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_D 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 0.000 176.598 176.600 -0.004 0.000 1.382 3 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 3 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 4 K N 1.958 122.355 120.400 -0.005 0.000 2.814 4 K HA 0.261 4.582 4.320 0.001 0.000 0.213 4 K C -0.998 175.602 176.600 -0.000 0.000 1.113 4 K CA 0.059 56.346 56.287 -0.000 0.000 1.145 4 K CB 0.417 32.916 32.500 -0.002 0.000 0.948 4 K HN -0.086 nan 8.250 nan 0.000 0.464 5 T N 1.520 116.073 114.554 -0.001 0.000 2.744 5 T HA 0.357 4.708 4.350 0.001 0.000 0.291 5 T C 0.150 174.865 174.700 0.025 0.000 0.957 5 T CA -0.389 61.711 62.100 -0.001 0.000 1.002 5 T CB 0.923 69.785 68.868 -0.011 0.000 0.919 5 T HN 0.152 nan 8.240 nan 0.000 0.468 6 I N 3.516 124.116 120.570 0.050 0.000 2.342 6 I HA 0.318 4.489 4.170 0.001 0.000 0.291 6 I C 0.755 176.955 176.117 0.139 0.000 1.010 6 I CA -0.641 60.722 61.300 0.105 0.000 1.308 6 I CB 0.884 38.989 38.000 0.176 0.000 1.400 6 I HN 0.331 nan 8.210 nan 0.000 0.488 7 R N 6.147 126.712 120.500 0.108 0.000 2.220 7 R HA 0.187 4.527 4.340 0.001 0.000 0.340 7 R C -0.702 175.677 176.300 0.131 0.000 1.076 7 R CA -0.336 55.825 56.100 0.102 0.000 0.920 7 R CB 0.831 31.151 30.300 0.033 0.000 1.062 7 R HN 0.594 nan 8.270 nan 0.000 0.469 8 W N 3.923 125.237 121.300 0.023 0.000 2.375 8 W HA 0.271 4.932 4.660 0.001 0.000 0.336 8 W C -0.535 175.983 176.519 -0.002 0.000 1.160 8 W CA -0.858 56.500 57.345 0.022 0.000 1.266 8 W CB 1.570 31.066 29.460 0.061 0.000 1.195 8 W HN 0.402 nan 8.180 nan 0.000 0.599 9 c N 6.084 124.481 118.600 -0.338 0.000 2.319 9 c HA 0.631 5.201 4.570 0.001 0.000 0.335 9 c C 0.140 174.246 174.090 0.027 0.000 1.274 9 c CA -0.355 55.889 56.329 -0.142 0.000 1.806 9 c CB -0.483 41.880 42.510 -0.245 0.000 2.329 9 c HN 0.357 nan 8.230 nan 0.000 0.524 10 V N 5.395 125.335 119.914 0.042 0.000 2.876 10 V HA 0.805 4.925 4.120 0.001 0.000 0.312 10 V C 0.001 176.078 176.094 -0.028 0.000 1.085 10 V CA -0.246 62.083 62.300 0.048 0.000 0.945 10 V CB 1.365 33.243 31.823 0.093 0.000 1.017 10 V HN 0.877 nan 8.190 nan 0.000 0.428 11 V N -0.488 119.400 119.914 -0.043 0.000 3.562 11 V HA 0.467 4.587 4.120 0.001 0.000 0.270 11 V C 0.722 176.808 176.094 -0.013 0.000 1.418 11 V CA 1.022 63.285 62.300 -0.063 0.000 1.033 11 V CB 0.361 32.103 31.823 -0.136 0.000 0.820 11 V HN 1.022 nan 8.190 nan 0.000 0.441 12 S N -0.096 115.628 115.700 0.039 0.000 2.607 12 S HA 0.362 4.832 4.470 0.001 0.000 0.303 12 S C 0.594 175.218 174.600 0.041 0.000 1.086 12 S CA -0.085 58.158 58.200 0.072 0.000 0.995 12 S CB 1.779 65.082 63.200 0.173 0.000 1.084 12 S HN 0.417 nan 8.310 nan 0.000 0.507 13 D N 0.987 121.389 120.400 0.004 0.000 2.097 13 D HA -0.140 4.501 4.640 0.001 0.000 0.195 13 D C 1.311 177.542 176.300 -0.115 0.000 0.989 13 D CA 1.349 55.299 54.000 -0.084 0.000 0.827 13 D CB -0.150 40.555 40.800 -0.159 0.000 0.966 13 D HN 0.689 nan 8.370 nan 0.000 0.456 14 H N 0.558 119.640 119.070 0.019 0.000 2.387 14 H HA -0.103 4.454 4.556 0.001 0.000 0.299 14 H C 2.034 177.286 175.328 -0.126 0.000 1.099 14 H CA 1.091 57.115 56.048 -0.039 0.000 1.315 14 H CB 0.005 29.842 29.762 0.125 0.000 1.380 14 H HN 0.426 nan 8.280 nan 0.000 0.513 15 E N 0.637 120.890 120.200 0.089 0.000 2.107 15 E HA -0.091 4.260 4.350 0.001 0.000 0.191 15 E C 2.425 179.032 176.600 0.012 0.000 0.982 15 E CA 0.685 57.119 56.400 0.056 0.000 0.809 15 E CB 0.098 29.858 29.700 0.099 0.000 0.756 15 E HN 0.377 nan 8.360 nan 0.000 0.459 16 A N 0.433 123.250 122.820 -0.005 0.000 1.883 16 A HA -0.209 4.112 4.320 0.001 0.000 0.217 16 A C 2.389 179.950 177.584 -0.039 0.000 1.186 16 A CA 2.189 54.221 52.037 -0.008 0.000 0.624 16 A CB -1.123 17.865 19.000 -0.020 0.000 0.822 16 A HN 0.324 nan 8.150 nan 0.000 0.444 17 T N -0.349 114.139 114.554 -0.109 0.000 2.684 17 T HA -0.188 4.163 4.350 0.001 0.000 0.267 17 T C 1.972 176.624 174.700 -0.081 0.000 1.036 17 T CA 1.762 63.781 62.100 -0.134 0.000 1.148 17 T CB -0.224 68.466 68.868 -0.297 0.000 0.863 17 T HN 0.609 nan 8.240 nan 0.000 0.436 18 K N 0.213 120.562 120.400 -0.084 0.000 2.147 18 K HA -0.122 4.199 4.320 0.001 0.000 0.205 18 K C 2.658 179.319 176.600 0.102 0.000 1.049 18 K CA 1.248 57.558 56.287 0.040 0.000 0.936 18 K CB -0.483 32.030 32.500 0.021 0.000 0.722 18 K HN 0.416 nan 8.250 nan 0.000 0.446 19 c N 0.435 119.062 118.600 0.044 0.000 2.446 19 c HA -0.017 4.553 4.570 0.001 0.000 0.277 19 c C 2.676 176.796 174.090 0.049 0.000 1.275 19 c CA 1.395 57.761 56.329 0.062 0.000 1.727 19 c CB -0.882 41.672 42.510 0.073 0.000 2.010 19 c HN 0.519 nan 8.230 nan 0.000 0.486 20 S N 0.069 115.767 115.700 -0.004 0.000 2.368 20 S HA -0.157 4.314 4.470 0.001 0.000 0.224 20 S C 2.118 176.647 174.600 -0.117 0.000 1.029 20 S CA 1.560 59.725 58.200 -0.058 0.000 0.988 20 S CB -0.546 62.626 63.200 -0.046 0.000 0.838 20 S HN 0.782 nan 8.310 nan 0.000 0.462 21 S N 0.611 116.266 115.700 -0.075 0.000 2.400 21 S HA -0.121 4.349 4.470 0.001 0.000 0.232 21 S C 1.571 175.878 174.600 -0.488 0.000 1.025 21 S CA 1.003 59.124 58.200 -0.131 0.000 0.993 21 S CB -0.442 62.813 63.200 0.092 0.000 0.808 21 S HN 0.517 nan 8.310 nan 0.000 0.478 22 F N 2.638 122.178 119.950 -0.683 0.000 2.186 22 F HA 0.136 4.664 4.527 0.001 0.000 0.299 22 F C 2.277 177.663 175.800 -0.690 0.000 1.090 22 F CA 1.452 58.814 58.000 -1.064 0.000 1.307 22 F CB -0.624 38.055 39.000 -0.535 0.000 1.019 22 F HN 0.143 nan 8.300 nan 0.000 0.489 23 R N 0.318 120.483 120.500 -0.557 0.000 2.066 23 R HA -0.150 4.190 4.340 0.001 0.000 0.232 23 R C 1.862 177.892 176.300 -0.450 0.000 1.131 23 R CA 1.993 57.786 56.100 -0.512 0.000 0.955 23 R CB -0.552 29.585 30.300 -0.271 0.000 0.851 23 R HN 0.194 nan 8.270 nan 0.000 0.432 24 D N 0.531 120.708 120.400 -0.370 0.000 2.092 24 D HA -0.173 4.467 4.640 0.001 0.000 0.193 24 D C 1.473 177.578 176.300 -0.325 0.000 0.994 24 D CA 1.348 55.178 54.000 -0.284 0.000 0.828 24 D CB -0.605 40.066 40.800 -0.215 0.000 0.963 24 D HN 0.376 nan 8.370 nan 0.000 0.450 25 N N -0.368 118.039 118.700 -0.489 0.000 2.453 25 N HA -0.091 4.649 4.740 0.001 0.000 0.183 25 N C 1.443 176.688 175.510 -0.442 0.000 1.041 25 N CA 0.413 53.165 53.050 -0.497 0.000 0.900 25 N CB 0.020 37.916 38.487 -0.985 0.000 0.961 25 N HN 0.115 nan 8.380 nan 0.000 0.443 26 M N 0.690 119.953 119.600 -0.561 0.000 2.501 26 M HA 0.075 4.556 4.480 0.001 0.000 0.261 26 M C 1.083 177.202 176.300 -0.300 0.000 1.129 26 M CA 0.972 55.987 55.300 -0.474 0.000 1.126 26 M CB 0.351 32.493 32.600 -0.764 0.000 1.359 26 M HN -0.197 nan 8.290 nan 0.000 0.471 27 K N -0.569 119.669 120.400 -0.271 0.000 2.476 27 K HA 0.078 4.399 4.320 0.001 0.000 0.196 27 K C 0.910 177.433 176.600 -0.127 0.000 1.025 27 K CA 0.258 56.437 56.287 -0.180 0.000 1.138 27 K CB 0.280 32.680 32.500 -0.167 0.000 0.860 27 K HN 0.268 nan 8.250 nan 0.000 0.515 28 K N -0.583 119.743 120.400 -0.122 0.000 2.435 28 K HA 0.092 4.413 4.320 0.001 0.000 0.199 28 K C 1.326 177.884 176.600 -0.070 0.000 1.153 28 K CA 0.184 56.429 56.287 -0.069 0.000 0.974 28 K CB 1.006 33.488 32.500 -0.030 0.000 0.997 28 K HN -0.103 nan 8.250 nan 0.000 0.547 29 V N 0.702 120.543 119.914 -0.121 0.000 2.788 29 V HA 0.088 4.208 4.120 0.001 0.000 0.241 29 V C 0.869 176.901 176.094 -0.103 0.000 1.083 29 V CA 0.604 62.802 62.300 -0.170 0.000 1.103 29 V CB 0.432 32.011 31.823 -0.407 0.000 0.800 29 V HN 0.180 nan 8.190 nan 0.000 0.476 30 L N 2.512 123.672 121.223 -0.105 0.000 2.892 30 L HA 0.344 4.685 4.340 0.001 0.000 0.251 30 L C -1.960 174.865 176.870 -0.075 0.000 1.339 30 L CA -0.275 54.522 54.840 -0.073 0.000 0.900 30 L CB 0.659 42.678 42.059 -0.067 0.000 1.246 30 L HN 0.300 nan 8.230 nan 0.000 0.524 31 P HA 0.128 nan 4.420 nan 0.000 0.275 31 P C 1.222 178.496 177.300 -0.044 0.000 1.310 31 P CA 0.179 63.240 63.100 -0.065 0.000 0.904 31 P CB 0.894 32.551 31.700 -0.070 0.000 1.381 32 A N 1.091 123.891 122.820 -0.034 0.000 2.042 32 A HA 0.063 4.384 4.320 0.001 0.000 0.222 32 A C 1.745 179.315 177.584 -0.024 0.000 1.167 32 A CA 2.069 54.092 52.037 -0.024 0.000 0.649 32 A CB -1.349 17.641 19.000 -0.016 0.000 0.809 32 A HN 0.354 nan 8.150 nan 0.000 0.457 33 G N -3.667 105.116 108.800 -0.029 0.000 3.216 33 G HA2 0.283 4.244 3.960 0.001 0.000 0.221 33 G HA3 0.283 4.244 3.960 0.001 0.000 0.221 33 G C 0.587 175.472 174.900 -0.025 0.000 0.949 33 G CA 0.223 45.308 45.100 -0.026 0.000 0.952 33 G HN 1.042 nan 8.290 nan 0.000 0.657 34 G N 0.379 109.162 108.800 -0.028 0.000 2.735 34 G HA2 0.639 4.599 3.960 0.001 0.000 0.192 34 G HA3 0.639 4.599 3.960 0.001 0.000 0.192 34 G C -1.915 172.967 174.900 -0.030 0.000 1.547 34 G CA -0.476 44.610 45.100 -0.023 0.000 1.080 34 G HN 0.205 nan 8.290 nan 0.000 0.569 35 P HA 0.342 nan 4.420 nan 0.000 0.267 35 P C -0.676 176.581 177.300 -0.072 0.000 1.209 35 P CA 0.248 63.331 63.100 -0.028 0.000 0.763 35 P CB 1.154 32.851 31.700 -0.005 0.000 0.816 36 A N 3.856 126.636 122.820 -0.068 0.000 2.350 36 A HA 0.674 4.994 4.320 0.001 0.000 0.318 36 A C -0.499 177.020 177.584 -0.109 0.000 1.132 36 A CA -0.700 51.270 52.037 -0.113 0.000 0.811 36 A CB 1.395 20.344 19.000 -0.084 0.000 1.313 36 A HN 0.338 nan 8.150 nan 0.000 0.454 37 V N 0.321 120.129 119.914 -0.178 0.000 2.630 37 V HA 0.773 4.893 4.120 0.001 0.000 0.305 37 V C 0.025 176.088 176.094 -0.052 0.000 1.046 37 V CA -0.289 61.935 62.300 -0.127 0.000 0.934 37 V CB 1.743 33.372 31.823 -0.324 0.000 1.003 37 V HN 0.960 nan 8.190 nan 0.000 0.451 38 T N 1.774 116.353 114.554 0.042 0.000 2.993 38 T HA 0.397 4.747 4.350 0.001 0.000 0.312 38 T C -0.942 173.823 174.700 0.108 0.000 1.115 38 T CA -0.369 61.757 62.100 0.044 0.000 1.027 38 T CB 1.331 70.221 68.868 0.037 0.000 1.116 38 T HN 0.744 nan 8.240 nan 0.000 0.464 39 c N 2.820 121.468 118.600 0.078 0.000 2.322 39 c HA 0.812 5.383 4.570 0.001 0.000 0.324 39 c C 0.038 174.168 174.090 0.067 0.000 1.284 39 c CA -0.815 55.579 56.329 0.108 0.000 1.606 39 c CB 0.250 42.811 42.510 0.085 0.000 2.251 39 c HN 0.708 nan 8.230 nan 0.000 0.502 40 V N 3.621 123.577 119.914 0.070 0.000 2.444 40 V HA 0.490 4.610 4.120 0.001 0.000 0.294 40 V C -0.065 176.038 176.094 0.014 0.000 1.022 40 V CA -0.467 61.850 62.300 0.027 0.000 0.850 40 V CB 1.532 33.361 31.823 0.011 0.000 0.992 40 V HN 0.814 nan 8.190 nan 0.000 0.426 41 R N 4.964 125.465 120.500 0.002 0.000 2.221 41 R HA 0.547 4.888 4.340 0.001 0.000 0.327 41 R C -0.560 175.726 176.300 -0.024 0.000 1.033 41 R CA 0.014 56.107 56.100 -0.011 0.000 0.887 41 R CB 0.474 30.767 30.300 -0.011 0.000 1.057 41 R HN 0.530 nan 8.270 nan 0.000 0.455 42 K N 4.358 124.736 120.400 -0.037 0.000 2.435 42 K HA 0.227 4.548 4.320 0.001 0.000 0.251 42 K C 0.665 177.235 176.600 -0.050 0.000 0.954 42 K CA -0.969 55.294 56.287 -0.040 0.000 0.820 42 K CB 1.550 34.025 32.500 -0.043 0.000 1.292 42 K HN 0.488 nan 8.250 nan 0.000 0.436 43 M N 0.521 120.096 119.600 -0.042 0.000 2.113 43 M HA -0.228 4.252 4.480 0.001 0.000 0.255 43 M C 0.971 177.231 176.300 -0.067 0.000 1.073 43 M CA 1.903 57.173 55.300 -0.051 0.000 1.091 43 M CB -0.312 32.264 32.600 -0.038 0.000 1.309 43 M HN 0.794 nan 8.290 nan 0.000 0.407 44 S N -3.422 112.252 115.700 -0.043 0.000 2.776 44 S HA 0.382 4.852 4.470 0.001 0.000 0.292 44 S C 0.561 175.165 174.600 0.006 0.000 1.187 44 S CA -1.010 57.181 58.200 -0.016 0.000 0.834 44 S CB 0.598 63.827 63.200 0.049 0.000 1.199 44 S HN 0.260 nan 8.310 nan 0.000 0.514 45 H N 0.961 120.131 119.070 0.166 0.000 2.389 45 H HA 0.103 4.659 4.556 0.001 0.000 0.299 45 H C -0.980 174.395 175.328 0.077 0.000 1.081 45 H CA 1.707 57.837 56.048 0.138 0.000 1.345 45 H CB -1.436 28.461 29.762 0.226 0.000 1.393 45 H HN 0.435 nan 8.280 nan 0.000 0.520 46 P HA -0.115 nan 4.420 nan 0.000 0.218 46 P C 1.535 178.880 177.300 0.076 0.000 1.149 46 P CA 1.413 64.595 63.100 0.138 0.000 0.817 46 P CB -0.008 31.781 31.700 0.149 0.000 0.785 47 E N -1.206 119.029 120.200 0.059 0.000 2.107 47 E HA -0.150 4.201 4.350 0.001 0.000 0.191 47 E C 1.532 178.131 176.600 -0.002 0.000 0.982 47 E CA 0.847 57.259 56.400 0.020 0.000 0.809 47 E CB -0.375 29.328 29.700 0.004 0.000 0.756 47 E HN 0.118 nan 8.360 nan 0.000 0.459 48 c N 0.417 119.014 118.600 -0.006 0.000 2.436 48 c HA -0.120 4.450 4.570 0.001 0.000 0.277 48 c C 2.536 176.599 174.090 -0.046 0.000 1.241 48 c CA 0.644 56.948 56.329 -0.042 0.000 1.721 48 c CB -0.858 41.622 42.510 -0.051 0.000 2.043 48 c HN 0.497 nan 8.230 nan 0.000 0.472 49 I N 0.230 120.789 120.570 -0.018 0.000 2.163 49 I HA -0.235 3.935 4.170 0.001 0.000 0.243 49 I C 2.818 178.918 176.117 -0.028 0.000 1.085 49 I CA 1.586 62.866 61.300 -0.033 0.000 1.347 49 I CB -0.599 37.392 38.000 -0.015 0.000 1.044 49 I HN 0.319 nan 8.210 nan 0.000 0.408 50 R N 0.849 121.344 120.500 -0.009 0.000 2.097 50 R HA -0.211 4.129 4.340 0.001 0.000 0.236 50 R C 1.818 178.107 176.300 -0.018 0.000 1.135 50 R CA 2.244 58.340 56.100 -0.006 0.000 0.934 50 R CB -0.483 29.821 30.300 0.006 0.000 0.846 50 R HN 0.324 nan 8.270 nan 0.000 0.431 51 D N -0.056 120.330 120.400 -0.024 0.000 2.351 51 D HA -0.086 4.554 4.640 0.001 0.000 0.216 51 D C 1.487 177.762 176.300 -0.042 0.000 0.968 51 D CA 0.795 54.777 54.000 -0.030 0.000 0.899 51 D CB 0.052 40.833 40.800 -0.032 0.000 0.907 51 D HN 0.296 nan 8.370 nan 0.000 0.514 52 I N -0.345 120.193 120.570 -0.054 0.000 2.584 52 I HA -0.125 4.046 4.170 0.001 0.000 0.255 52 I C 1.882 177.970 176.117 -0.049 0.000 1.145 52 I CA 0.465 61.724 61.300 -0.067 0.000 1.462 52 I CB 0.153 38.095 38.000 -0.096 0.000 1.102 52 I HN -0.086 nan 8.210 nan 0.000 0.433 53 S N 1.023 116.700 115.700 -0.038 0.000 2.377 53 S HA 0.003 4.474 4.470 0.001 0.000 0.223 53 S C 2.038 176.626 174.600 -0.019 0.000 1.030 53 S CA 1.034 59.218 58.200 -0.027 0.000 0.970 53 S CB -0.162 63.027 63.200 -0.019 0.000 0.830 53 S HN 0.468 nan 8.310 nan 0.000 0.473 54 A N 1.620 124.429 122.820 -0.018 0.000 2.255 54 A HA 0.076 4.396 4.320 0.001 0.000 0.206 54 A C 0.924 178.499 177.584 -0.016 0.000 1.193 54 A CA 0.218 52.246 52.037 -0.014 0.000 0.794 54 A CB -0.700 18.292 19.000 -0.012 0.000 0.794 54 A HN 0.478 nan 8.150 nan 0.000 0.481 55 N N -1.166 117.521 118.700 -0.021 0.000 2.735 55 N HA -0.174 4.567 4.740 0.001 0.000 0.248 55 N C 0.612 176.110 175.510 -0.020 0.000 1.083 55 N CA 1.524 54.561 53.050 -0.021 0.000 0.703 55 N CB -0.958 37.520 38.487 -0.015 0.000 1.005 55 N HN 0.756 nan 8.380 nan 0.000 0.550 56 K N -1.107 119.278 120.400 -0.024 0.000 2.335 56 K HA 0.184 4.505 4.320 0.001 0.000 0.195 56 K C 0.489 177.073 176.600 -0.026 0.000 1.058 56 K CA 0.681 56.955 56.287 -0.022 0.000 0.988 56 K CB 0.832 33.320 32.500 -0.021 0.000 0.880 56 K HN 0.056 nan 8.250 nan 0.000 0.513 57 V N 0.377 120.267 119.914 -0.040 0.000 3.160 57 V HA 0.165 4.286 4.120 0.001 0.000 0.310 57 V C -0.169 175.884 176.094 -0.068 0.000 1.181 57 V CA -0.798 61.470 62.300 -0.054 0.000 1.047 57 V CB 2.216 33.990 31.823 -0.082 0.000 1.068 57 V HN -0.049 nan 8.190 nan 0.000 0.441 58 D N 0.300 120.653 120.400 -0.079 0.000 2.525 58 D HA 0.474 5.114 4.640 0.001 0.000 0.248 58 D C 0.325 176.521 176.300 -0.174 0.000 1.000 58 D CA 1.193 55.144 54.000 -0.082 0.000 0.923 58 D CB 1.549 42.340 40.800 -0.016 0.000 1.101 58 D HN 0.711 nan 8.370 nan 0.000 0.493 59 A N 0.215 122.835 122.820 -0.334 0.000 2.594 59 A HA 0.675 4.996 4.320 0.001 0.000 0.291 59 A C -1.545 175.307 177.584 -1.221 0.000 1.105 59 A CA -0.566 51.074 52.037 -0.662 0.000 0.694 59 A CB 2.460 21.079 19.000 -0.635 0.000 1.291 59 A HN -0.037 nan 8.150 nan 0.000 0.410 60 V N -0.023 119.214 119.914 -1.128 0.000 3.036 60 V HA 0.559 4.680 4.120 0.001 0.000 0.280 60 V C -1.169 174.691 176.094 -0.390 0.000 1.497 60 V CA -0.206 61.559 62.300 -0.892 0.000 0.982 60 V CB 2.332 33.917 31.823 -0.396 0.000 1.171 60 V HN 1.132 nan 8.190 nan 0.000 0.444 61 T N 5.947 120.433 114.554 -0.114 0.000 2.747 61 T HA 0.625 4.976 4.350 0.001 0.000 0.301 61 T C -0.088 174.618 174.700 0.009 0.000 0.952 61 T CA 0.095 62.195 62.100 0.000 0.000 0.983 61 T CB 0.677 69.547 68.868 0.003 0.000 0.930 61 T HN 1.147 nan 8.240 nan 0.000 0.494 62 V N 0.242 120.125 119.914 -0.052 0.000 3.139 62 V HA 0.724 4.844 4.120 0.001 0.000 0.310 62 V C -0.730 175.248 176.094 -0.193 0.000 1.260 62 V CA -1.439 60.751 62.300 -0.183 0.000 1.064 62 V CB 1.762 33.439 31.823 -0.243 0.000 1.160 62 V HN 0.544 nan 8.190 nan 0.000 0.470 63 D N 0.131 120.212 120.400 -0.531 0.000 2.347 63 D HA 0.455 5.095 4.640 0.001 0.000 0.235 63 D C 1.400 177.459 176.300 -0.401 0.000 1.149 63 D CA 0.654 54.178 54.000 -0.793 0.000 0.850 63 D CB 1.142 41.326 40.800 -1.027 0.000 1.061 63 D HN 0.893 nan 8.370 nan 0.000 0.487 64 G N 3.528 112.166 108.800 -0.270 0.000 2.596 64 G HA2 -0.383 3.578 3.960 0.001 0.000 0.223 64 G HA3 -0.383 3.578 3.960 0.001 0.000 0.223 64 G C 1.448 176.212 174.900 -0.227 0.000 1.120 64 G CA 1.151 46.136 45.100 -0.192 0.000 0.752 64 G HN 0.656 nan 8.290 nan 0.000 0.596 65 A N 0.283 122.982 122.820 -0.202 0.000 1.883 65 A HA 0.046 4.366 4.320 0.001 0.000 0.217 65 A C 2.360 179.909 177.584 -0.059 0.000 1.186 65 A CA 1.698 53.682 52.037 -0.088 0.000 0.624 65 A CB -0.435 18.714 19.000 0.248 0.000 0.822 65 A HN 0.330 nan 8.150 nan 0.000 0.444 66 L N -0.256 120.928 121.223 -0.065 0.000 2.187 66 L HA -0.160 4.181 4.340 0.001 0.000 0.213 66 L C 2.439 179.284 176.870 -0.041 0.000 1.100 66 L CA 1.327 56.157 54.840 -0.017 0.000 0.765 66 L CB -0.572 41.425 42.059 -0.103 0.000 0.904 66 L HN 0.249 nan 8.230 nan 0.000 0.437 67 V N -0.999 118.850 119.914 -0.108 0.000 2.453 67 V HA -0.145 3.975 4.120 0.001 0.000 0.247 67 V C 2.488 178.514 176.094 -0.113 0.000 1.048 67 V CA 1.392 63.629 62.300 -0.104 0.000 1.049 67 V CB -1.131 30.614 31.823 -0.130 0.000 0.672 67 V HN 0.456 nan 8.190 nan 0.000 0.457 68 A N -0.500 122.207 122.820 -0.187 0.000 2.167 68 A HA -0.061 4.259 4.320 0.001 0.000 0.214 68 A C 2.079 179.530 177.584 -0.221 0.000 1.151 68 A CA 0.854 52.720 52.037 -0.286 0.000 0.735 68 A CB -0.339 18.347 19.000 -0.523 0.000 0.802 68 A HN 0.595 nan 8.150 nan 0.000 0.467 69 E N 0.199 120.378 120.200 -0.035 0.000 2.285 69 E HA 0.103 4.454 4.350 0.001 0.000 0.194 69 E C 0.893 177.589 176.600 0.159 0.000 0.997 69 E CA 0.287 56.817 56.400 0.217 0.000 0.845 69 E CB -0.098 29.787 29.700 0.307 0.000 0.782 69 E HN 0.550 nan 8.360 nan 0.000 0.491 70 A N 2.901 125.762 122.820 0.068 0.000 2.489 70 A HA -0.049 4.271 4.320 0.001 0.000 0.289 70 A C 0.801 178.410 177.584 0.041 0.000 1.216 70 A CA -0.021 52.047 52.037 0.051 0.000 0.883 70 A CB -0.158 18.851 19.000 0.015 0.000 1.110 70 A HN 0.239 nan 8.150 nan 0.000 0.523 71 D N 2.595 123.036 120.400 0.068 0.000 2.351 71 D HA -0.116 4.525 4.640 0.001 0.000 0.216 71 D C 0.345 176.657 176.300 0.020 0.000 0.968 71 D CA 0.154 54.188 54.000 0.057 0.000 0.899 71 D CB -0.271 40.571 40.800 0.071 0.000 0.907 71 D HN 0.344 nan 8.370 nan 0.000 0.514 72 L N 3.092 124.322 121.223 0.012 0.000 2.559 72 L HA 0.100 4.440 4.340 0.001 0.000 0.274 72 L C -1.210 175.648 176.870 -0.019 0.000 1.205 72 L CA -0.765 54.075 54.840 -0.001 0.000 0.907 72 L CB -0.879 41.183 42.059 0.004 0.000 1.153 72 L HN 0.013 nan 8.230 nan 0.000 0.490 73 P HA -0.002 nan 4.420 nan 0.000 0.273 73 P C 0.011 177.307 177.300 -0.007 0.000 1.258 73 P CA -0.090 62.975 63.100 -0.060 0.000 0.802 73 P CB 0.454 32.096 31.700 -0.097 0.000 1.040 74 H N -2.336 116.642 119.070 -0.153 0.000 4.734 74 H HA -0.175 4.381 4.556 0.001 0.000 0.252 74 H C -0.428 174.733 175.328 -0.279 0.000 0.525 74 H CA 0.335 56.289 56.048 -0.158 0.000 0.682 74 H CB -1.473 28.255 29.762 -0.057 0.000 0.876 74 H HN 0.680 nan 8.280 nan 0.000 0.317 75 H N 0.333 119.414 119.070 0.018 0.000 2.360 75 H HA 0.339 4.896 4.556 0.001 0.000 0.233 75 H C 1.074 176.318 175.328 -0.140 0.000 1.473 75 H CA 0.386 56.393 56.048 -0.068 0.000 1.352 75 H CB 0.694 30.408 29.762 -0.080 0.000 1.493 75 H HN 0.490 nan 8.280 nan 0.000 0.533 76 S N 1.346 117.034 115.700 -0.020 0.000 2.406 76 S HA 0.053 4.523 4.470 0.001 0.000 0.224 76 S C 0.687 175.262 174.600 -0.042 0.000 1.030 76 S CA 0.171 58.342 58.200 -0.050 0.000 0.958 76 S CB 0.349 63.536 63.200 -0.022 0.000 0.811 76 S HN 0.274 nan 8.310 nan 0.000 0.489 77 L N 2.227 123.431 121.223 -0.033 0.000 2.334 77 L HA 0.589 4.930 4.340 0.001 0.000 0.275 77 L C -0.360 176.481 176.870 -0.049 0.000 1.036 77 L CA -0.803 54.006 54.840 -0.051 0.000 0.807 77 L CB 1.491 43.513 42.059 -0.062 0.000 1.231 77 L HN 0.328 nan 8.230 nan 0.000 0.438 78 K N 1.386 121.741 120.400 -0.075 0.000 2.498 78 K HA 0.646 4.967 4.320 0.001 0.000 0.254 78 K C -3.020 173.501 176.600 -0.131 0.000 0.933 78 K CA -2.014 54.216 56.287 -0.094 0.000 0.806 78 K CB 1.984 34.428 32.500 -0.093 0.000 1.301 78 K HN 0.089 nan 8.250 nan 0.000 0.432 79 P HA 0.126 nan 4.420 nan 0.000 0.276 79 P C 0.082 177.267 177.300 -0.193 0.000 1.230 79 P CA -0.530 62.425 63.100 -0.241 0.000 0.776 79 P CB 0.525 31.970 31.700 -0.425 0.000 0.888 80 I N -1.122 119.367 120.570 -0.134 0.000 3.883 80 I HA 0.361 4.532 4.170 0.001 0.000 0.305 80 I C 0.327 176.417 176.117 -0.044 0.000 1.247 80 I CA 0.511 61.764 61.300 -0.079 0.000 1.350 80 I CB 0.203 38.190 38.000 -0.022 0.000 1.194 80 I HN 0.142 nan 8.210 nan 0.000 0.441 81 M N 1.547 121.136 119.600 -0.018 0.000 2.371 81 M HA 0.678 5.158 4.480 0.001 0.000 0.287 81 M C -1.365 174.983 176.300 0.079 0.000 1.149 81 M CA -0.393 54.950 55.300 0.073 0.000 0.929 81 M CB 2.791 35.490 32.600 0.166 0.000 1.683 81 M HN 0.159 nan 8.290 nan 0.000 0.470 82 A N 2.191 125.111 122.820 0.167 0.000 2.356 82 A HA 0.790 5.111 4.320 0.001 0.000 0.323 82 A C -0.756 177.003 177.584 0.291 0.000 1.119 82 A CA -0.675 51.497 52.037 0.226 0.000 0.790 82 A CB 1.198 20.413 19.000 0.359 0.000 1.273 82 A HN 0.836 nan 8.150 nan 0.000 0.452 83 E N -0.088 120.250 120.200 0.229 0.000 2.318 83 E HA 0.491 4.842 4.350 0.001 0.000 0.265 83 E C -1.418 175.123 176.600 -0.098 0.000 1.069 83 E CA -0.214 56.193 56.400 0.012 0.000 0.893 83 E CB 1.137 30.769 29.700 -0.114 0.000 1.076 83 E HN 0.623 nan 8.360 nan 0.000 0.414 84 Y N -1.833 118.212 120.300 -0.425 0.000 2.492 84 Y HA 0.422 4.972 4.550 0.001 0.000 0.346 84 Y C -1.242 174.309 175.900 -0.581 0.000 0.997 84 Y CA -1.339 56.519 58.100 -0.402 0.000 1.025 84 Y CB 0.647 39.019 38.460 -0.147 0.000 1.263 84 Y HN 0.382 nan 8.280 nan 0.000 0.454 85 Y N 3.024 123.352 120.300 0.045 0.000 2.724 85 Y HA 0.669 5.219 4.550 0.001 0.000 0.370 85 Y C 0.710 176.588 175.900 -0.037 0.000 0.978 85 Y CA -0.413 57.671 58.100 -0.026 0.000 1.443 85 Y CB 0.653 39.103 38.460 -0.016 0.000 1.386 85 Y HN 1.008 nan 8.280 nan 0.000 0.557 86 G N 0.019 108.835 108.800 0.026 0.000 3.069 86 G HA2 0.568 4.529 3.960 0.001 0.000 0.205 86 G HA3 0.568 4.529 3.960 0.001 0.000 0.205 86 G C 0.127 174.812 174.900 -0.360 0.000 1.771 86 G CA 0.409 45.474 45.100 -0.058 0.000 0.739 86 G HN 0.339 nan 8.290 nan 0.000 0.784 87 S N -1.656 113.976 115.700 -0.112 0.000 4.189 87 S HA 0.402 4.873 4.470 0.001 0.000 0.273 87 S C 0.675 175.293 174.600 0.031 0.000 1.014 87 S CA 0.524 58.667 58.200 -0.095 0.000 1.236 87 S CB 1.104 64.256 63.200 -0.079 0.000 1.789 87 S HN 0.374 nan 8.310 nan 0.000 0.553 88 K N 0.683 121.090 120.400 0.012 0.000 2.370 88 K HA 0.386 4.707 4.320 0.001 0.000 0.194 88 K C 0.891 177.474 176.600 -0.028 0.000 1.070 88 K CA 0.881 57.166 56.287 -0.003 0.000 0.998 88 K CB -0.020 32.491 32.500 0.017 0.000 0.911 88 K HN 0.471 nan 8.250 nan 0.000 0.533 89 D N 0.645 121.034 120.400 -0.017 0.000 2.277 89 D HA -0.028 4.612 4.640 0.001 0.000 0.209 89 D C -0.565 175.722 176.300 -0.022 0.000 0.970 89 D CA 0.941 54.931 54.000 -0.016 0.000 0.874 89 D CB 0.338 41.138 40.800 -0.000 0.000 0.982 89 D HN 0.407 nan 8.370 nan 0.000 0.504 90 D N -0.238 120.151 120.400 -0.018 0.000 2.381 90 D HA 0.254 4.894 4.640 0.001 0.000 0.245 90 D C -2.938 173.361 176.300 -0.002 0.000 1.297 90 D CA -1.654 52.342 54.000 -0.006 0.000 0.931 90 D CB 1.424 42.246 40.800 0.036 0.000 1.334 90 D HN -0.222 nan 8.370 nan 0.000 0.535 91 P HA 0.185 nan 4.420 nan 0.000 0.276 91 P C -0.714 176.617 177.300 0.051 0.000 1.264 91 P CA -0.459 62.593 63.100 -0.080 0.000 0.769 91 P CB 0.693 32.092 31.700 -0.502 0.000 0.840 92 K N 1.734 122.226 120.400 0.153 0.000 2.266 92 K HA 0.207 4.527 4.320 0.001 0.000 0.274 92 K C 0.482 177.203 176.600 0.202 0.000 1.090 92 K CA -0.269 56.103 56.287 0.142 0.000 0.925 92 K CB 0.330 32.800 32.500 -0.050 0.000 1.225 92 K HN 0.385 nan 8.250 nan 0.000 0.458 93 T N 0.183 114.943 114.554 0.344 0.000 3.406 93 T HA 0.031 4.382 4.350 0.001 0.000 0.244 93 T C 0.240 175.253 174.700 0.521 0.000 0.949 93 T CA -0.396 61.964 62.100 0.433 0.000 0.926 93 T CB -0.802 68.337 68.868 0.453 0.000 1.089 93 T HN 0.609 nan 8.240 nan 0.000 0.604 94 H N -0.943 118.346 119.070 0.365 0.000 2.960 94 H HA 0.571 5.128 4.556 0.001 0.000 0.323 94 H C -1.573 173.851 175.328 0.160 0.000 1.326 94 H CA -1.445 54.680 56.048 0.129 0.000 1.124 94 H CB 1.025 30.673 29.762 -0.190 0.000 1.853 94 H HN 0.319 nan 8.280 nan 0.000 0.536 95 Y N -1.098 119.145 120.300 -0.094 0.000 2.521 95 Y HA 0.521 5.071 4.550 0.001 0.000 0.332 95 Y C -2.277 173.515 175.900 -0.181 0.000 1.121 95 Y CA -1.432 56.593 58.100 -0.126 0.000 1.037 95 Y CB 0.568 38.949 38.460 -0.133 0.000 1.330 95 Y HN 0.473 nan 8.280 nan 0.000 0.452 96 Y N 2.255 122.692 120.300 0.228 0.000 2.304 96 Y HA 0.538 5.088 4.550 0.001 0.000 0.328 96 Y C 0.127 176.238 175.900 0.352 0.000 1.123 96 Y CA -1.123 57.013 58.100 0.061 0.000 1.218 96 Y CB 1.183 39.547 38.460 -0.160 0.000 1.207 96 Y HN 0.532 nan 8.280 nan 0.000 0.495 97 V N 4.784 124.932 119.914 0.389 0.000 2.546 97 V HA 0.508 4.629 4.120 0.001 0.000 0.284 97 V C -0.151 176.179 176.094 0.395 0.000 1.050 97 V CA -0.707 61.830 62.300 0.395 0.000 0.981 97 V CB 1.089 33.088 31.823 0.293 0.000 0.990 97 V HN 0.629 nan 8.190 nan 0.000 0.474 98 V N 1.907 122.041 119.914 0.366 0.000 2.841 98 V HA 0.960 5.081 4.120 0.001 0.000 0.310 98 V C -0.115 176.155 176.094 0.294 0.000 1.090 98 V CA -0.989 61.504 62.300 0.323 0.000 0.930 98 V CB 1.697 33.705 31.823 0.309 0.000 1.014 98 V HN 1.039 nan 8.190 nan 0.000 0.425 99 A N 5.380 128.372 122.820 0.287 0.000 2.309 99 A HA 0.831 5.151 4.320 0.001 0.000 0.290 99 A C -0.356 177.277 177.584 0.082 0.000 1.206 99 A CA -0.360 51.831 52.037 0.257 0.000 0.850 99 A CB 0.720 19.943 19.000 0.372 0.000 1.118 99 A HN 1.273 nan 8.150 nan 0.000 0.523 100 M N 3.037 122.606 119.600 -0.052 0.000 2.508 100 M HA 0.776 5.256 4.480 0.001 0.000 0.327 100 M C -0.259 175.987 176.300 -0.089 0.000 1.160 100 M CA 0.052 55.317 55.300 -0.057 0.000 0.980 100 M CB 1.691 34.230 32.600 -0.103 0.000 1.693 100 M HN 1.164 nan 8.290 nan 0.000 0.452 101 A N 2.921 125.740 122.820 -0.002 0.000 2.557 101 A HA 0.678 4.999 4.320 0.001 0.000 0.292 101 A C -1.508 176.193 177.584 0.193 0.000 1.139 101 A CA -1.000 51.068 52.037 0.051 0.000 0.665 101 A CB 1.149 20.170 19.000 0.034 0.000 1.285 101 A HN 0.711 nan 8.150 nan 0.000 0.433 102 K N 0.955 121.450 120.400 0.160 0.000 2.218 102 K HA 0.294 4.614 4.320 0.001 0.000 0.276 102 K C -0.240 176.331 176.600 -0.048 0.000 1.022 102 K CA -0.326 56.028 56.287 0.111 0.000 0.946 102 K CB 1.050 33.578 32.500 0.047 0.000 1.000 102 K HN 0.553 nan 8.250 nan 0.000 0.468 103 K N 1.097 121.436 120.400 -0.103 0.000 2.339 103 K HA 0.093 4.414 4.320 0.001 0.000 0.286 103 K C 0.527 177.053 176.600 -0.123 0.000 1.050 103 K CA 0.613 56.836 56.287 -0.108 0.000 0.956 103 K CB 0.407 32.845 32.500 -0.103 0.000 0.990 103 K HN 0.820 nan 8.250 nan 0.000 0.475 104 G N 2.359 111.085 108.800 -0.124 0.000 2.195 104 G HA2 -0.301 3.659 3.960 0.001 0.000 0.224 104 G HA3 -0.301 3.659 3.960 0.001 0.000 0.224 104 G C 0.759 175.589 174.900 -0.117 0.000 0.990 104 G CA 0.450 45.488 45.100 -0.103 0.000 0.639 104 G HN 0.716 nan 8.290 nan 0.000 0.514 105 T N -1.821 112.612 114.554 -0.202 0.000 2.942 105 T HA 0.398 4.749 4.350 0.001 0.000 0.265 105 T C 2.727 177.167 174.700 -0.435 0.000 1.062 105 T CA 2.185 64.129 62.100 -0.260 0.000 1.139 105 T CB 0.057 68.693 68.868 -0.387 0.000 0.883 105 T HN 2.274 nan 8.240 nan 0.000 0.468 106 G N 2.380 110.873 108.800 -0.511 0.000 5.005 106 G HA2 -0.218 3.743 3.960 0.001 0.000 0.251 106 G HA3 -0.218 3.743 3.960 0.001 0.000 0.251 106 G C 0.151 174.831 174.900 -0.368 0.000 1.536 106 G CA -0.170 44.727 45.100 -0.339 0.000 1.060 106 G HN 1.032 nan 8.290 nan 0.000 0.683 107 F N 3.054 123.022 119.950 0.030 0.000 2.452 107 F HA 0.363 4.890 4.527 0.001 0.000 0.403 107 F C 0.861 176.692 175.800 0.052 0.000 0.972 107 F CA 0.327 58.350 58.000 0.039 0.000 1.194 107 F CB -0.078 38.949 39.000 0.046 0.000 0.908 107 F HN 0.523 nan 8.300 nan 0.000 0.555 108 Q N 2.501 122.418 119.800 0.194 0.000 2.204 108 Q HA 0.260 4.601 4.340 0.001 0.000 0.175 108 Q C 1.409 177.528 176.000 0.198 0.000 1.020 108 Q CA -0.798 55.088 55.803 0.138 0.000 1.078 108 Q CB 0.495 29.284 28.738 0.084 0.000 1.228 108 Q HN 0.840 nan 8.270 nan 0.000 0.550 109 L N 1.227 122.543 121.223 0.154 0.000 2.191 109 L HA -0.213 4.128 4.340 0.001 0.000 0.212 109 L C 1.735 178.708 176.870 0.172 0.000 1.103 109 L CA 1.898 56.841 54.840 0.172 0.000 0.769 109 L CB -0.630 41.498 42.059 0.115 0.000 0.908 109 L HN 0.583 nan 8.230 nan 0.000 0.438 110 N N -0.364 118.417 118.700 0.136 0.000 2.083 110 N HA -0.159 4.582 4.740 0.001 0.000 0.190 110 N C 0.705 176.296 175.510 0.136 0.000 1.047 110 N CA 0.997 54.119 53.050 0.119 0.000 0.845 110 N CB -0.135 38.399 38.487 0.078 0.000 1.025 110 N HN 0.327 nan 8.380 nan 0.000 0.428 111 Q N 0.434 120.313 119.800 0.132 0.000 3.151 111 Q HA 0.202 4.543 4.340 0.001 0.000 0.277 111 Q C -0.250 175.811 176.000 0.101 0.000 1.343 111 Q CA 0.342 56.206 55.803 0.101 0.000 0.925 111 Q CB -0.261 28.551 28.738 0.124 0.000 1.771 111 Q HN 0.456 nan 8.270 nan 0.000 0.514 112 L N -0.024 121.265 121.223 0.109 0.000 3.014 112 L HA 0.268 4.608 4.340 0.001 0.000 0.263 112 L C 0.070 176.806 176.870 -0.224 0.000 1.207 112 L CA -0.292 54.627 54.840 0.132 0.000 1.017 112 L CB 0.333 42.680 42.059 0.481 0.000 1.360 112 L HN 0.283 nan 8.230 nan 0.000 0.560 113 R N 1.188 121.443 120.500 -0.408 0.000 2.484 113 R HA 0.281 4.621 4.340 0.001 0.000 0.293 113 R C 0.761 176.800 176.300 -0.436 0.000 1.023 113 R CA 0.441 56.140 56.100 -0.670 0.000 1.037 113 R CB 0.142 30.190 30.300 -0.420 0.000 0.951 113 R HN 0.252 nan 8.270 nan 0.000 0.418 114 G N 2.555 111.083 108.800 -0.453 0.000 2.392 114 G HA2 -0.282 3.679 3.960 0.001 0.000 0.256 114 G HA3 -0.282 3.679 3.960 0.001 0.000 0.256 114 G C -0.514 174.325 174.900 -0.101 0.000 0.920 114 G CA 0.117 45.098 45.100 -0.199 0.000 1.316 114 G HN 0.466 nan 8.290 nan 0.000 0.416 115 K N 0.132 120.580 120.400 0.080 0.000 2.482 115 K HA 0.641 4.962 4.320 0.001 0.000 0.257 115 K C -0.124 176.612 176.600 0.227 0.000 0.969 115 K CA -0.931 55.432 56.287 0.127 0.000 0.842 115 K CB 1.287 33.910 32.500 0.205 0.000 1.359 115 K HN 0.246 nan 8.250 nan 0.000 0.441 116 K N 1.377 121.821 120.400 0.073 0.000 2.262 116 K HA 0.476 4.797 4.320 0.001 0.000 0.282 116 K C -0.866 175.685 176.600 -0.082 0.000 1.066 116 K CA -0.368 55.927 56.287 0.013 0.000 0.901 116 K CB 1.429 33.919 32.500 -0.017 0.000 1.089 116 K HN 0.445 nan 8.250 nan 0.000 0.476 117 S N 1.357 116.942 115.700 -0.193 0.000 2.599 117 S HA 0.466 4.936 4.470 0.001 0.000 0.287 117 S C -1.149 173.254 174.600 -0.328 0.000 1.105 117 S CA -0.665 57.305 58.200 -0.383 0.000 0.899 117 S CB 1.578 64.357 63.200 -0.703 0.000 1.100 117 S HN 0.596 nan 8.310 nan 0.000 0.482 118 c N 2.165 120.498 118.600 -0.444 0.000 2.441 118 c HA 0.686 5.257 4.570 0.001 0.000 0.318 118 c C -0.541 173.320 174.090 -0.381 0.000 1.222 118 c CA -0.547 55.587 56.329 -0.324 0.000 1.474 118 c CB 0.065 42.334 42.510 -0.401 0.000 2.125 118 c HN 0.959 nan 8.230 nan 0.000 0.479 119 H N -0.132 118.910 119.070 -0.048 0.000 2.651 119 H HA 0.404 4.960 4.556 0.001 0.000 0.353 119 H C 1.330 176.616 175.328 -0.069 0.000 1.178 119 H CA 0.054 56.132 56.048 0.049 0.000 1.224 119 H CB 1.157 31.015 29.762 0.162 0.000 1.702 119 H HN 0.639 nan 8.280 nan 0.000 0.550 120 T N -1.364 113.196 114.554 0.010 0.000 2.857 120 T HA 0.258 4.608 4.350 0.001 0.000 0.266 120 T C 0.913 175.278 174.700 -0.559 0.000 1.048 120 T CA 0.680 62.574 62.100 -0.343 0.000 1.139 120 T CB -0.124 68.516 68.868 -0.379 0.000 0.874 120 T HN 0.851 nan 8.240 nan 0.000 0.455 121 G N 0.401 109.043 108.800 -0.263 0.000 2.376 121 G HA2 0.398 4.359 3.960 0.001 0.000 0.302 121 G HA3 0.398 4.359 3.960 0.001 0.000 0.302 121 G C -1.712 173.156 174.900 -0.054 0.000 1.586 121 G CA -0.883 44.104 45.100 -0.190 0.000 0.907 121 G HN 0.448 nan 8.290 nan 0.000 0.655 122 L N 1.982 123.092 121.223 -0.187 0.000 2.597 122 L HA 0.484 4.824 4.340 0.001 0.000 0.271 122 L C 1.492 178.314 176.870 -0.079 0.000 1.157 122 L CA 2.640 57.151 54.840 -0.548 0.000 0.928 122 L CB 0.324 42.092 42.059 -0.485 0.000 1.216 122 L HN 2.208 nan 8.230 nan 0.000 0.481 123 G N 2.724 111.503 108.800 -0.035 0.000 2.313 123 G HA2 -0.274 3.687 3.960 0.001 0.000 0.215 123 G HA3 -0.274 3.687 3.960 0.001 0.000 0.215 123 G C -0.200 175.119 174.900 0.699 0.000 1.023 123 G CA -0.122 45.289 45.100 0.519 0.000 0.626 123 G HN 0.527 nan 8.290 nan 0.000 0.503 124 W N 2.963 124.461 121.300 0.329 0.000 2.322 124 W HA 0.433 5.094 4.660 0.002 0.000 0.328 124 W C 1.877 178.661 176.519 0.441 0.000 1.395 124 W CA 0.594 58.140 57.345 0.335 0.000 1.267 124 W CB 0.725 30.328 29.460 0.237 0.000 1.259 124 W HN 0.439 nan 8.180 nan 0.000 0.560 125 S N 1.978 118.038 115.700 0.599 0.000 2.383 125 S HA -0.243 4.227 4.470 0.001 0.000 0.229 125 S C 1.931 176.791 174.600 0.434 0.000 1.030 125 S CA 1.126 59.647 58.200 0.534 0.000 1.002 125 S CB -0.616 62.933 63.200 0.582 0.000 0.829 125 S HN 0.573 nan 8.310 nan 0.000 0.467 126 A N 1.506 124.644 122.820 0.530 0.000 1.972 126 A HA 0.313 4.633 4.320 0.001 0.000 0.219 126 A C 2.099 179.926 177.584 0.405 0.000 1.169 126 A CA 1.317 53.647 52.037 0.488 0.000 0.635 126 A CB -1.056 18.313 19.000 0.615 0.000 0.810 126 A HN 0.741 nan 8.150 nan 0.000 0.446 127 G N -3.893 105.180 108.800 0.455 0.000 3.735 127 G HA2 0.339 4.299 3.960 0.001 0.000 0.283 127 G HA3 0.339 4.299 3.960 0.001 0.000 0.283 127 G C 0.546 175.802 174.900 0.593 0.000 1.007 127 G CA 0.253 45.629 45.100 0.460 0.000 0.821 127 G HN 0.525 nan 8.290 nan 0.000 0.505 128 W N -1.132 120.253 121.300 0.142 0.000 4.757 128 W HA 0.116 4.776 4.660 0.001 0.000 0.172 128 W C 0.935 177.346 176.519 -0.180 0.000 3.206 128 W CA -0.035 57.273 57.345 -0.061 0.000 1.735 128 W CB -0.105 29.296 29.460 -0.098 0.000 1.720 128 W HN 0.079 nan 8.180 nan 0.000 0.705 129 Y N 1.618 121.965 120.300 0.078 0.000 2.483 129 Y HA -0.156 4.395 4.550 0.001 0.000 0.291 129 Y C 2.054 177.808 175.900 -0.244 0.000 1.143 129 Y CA 1.628 59.649 58.100 -0.133 0.000 1.289 129 Y CB -0.626 37.889 38.460 0.091 0.000 0.983 129 Y HN -0.218 nan 8.280 nan 0.000 0.556 130 V N -0.785 119.086 119.914 -0.071 0.000 2.581 130 V HA -0.010 4.111 4.120 0.001 0.000 0.240 130 V C -0.719 175.235 176.094 -0.233 0.000 1.054 130 V CA 0.736 62.949 62.300 -0.145 0.000 1.076 130 V CB -0.987 30.803 31.823 -0.055 0.000 0.748 130 V HN 0.146 nan 8.190 nan 0.000 0.474 131 P HA -0.096 nan 4.420 nan 0.000 0.217 131 P C 1.821 178.795 177.300 -0.544 0.000 1.151 131 P CA 1.036 63.756 63.100 -0.634 0.000 0.828 131 P CB 0.062 31.120 31.700 -1.071 0.000 0.788 132 L N -1.142 119.759 121.223 -0.538 0.000 2.395 132 L HA 0.090 4.430 4.340 0.001 0.000 0.218 132 L C 1.736 178.332 176.870 -0.458 0.000 1.130 132 L CA 1.494 55.977 54.840 -0.595 0.000 0.826 132 L CB -0.899 40.593 42.059 -0.945 0.000 0.941 132 L HN -0.152 nan 8.230 nan 0.000 0.451 133 S N -1.968 113.517 115.700 -0.358 0.000 2.679 133 S HA 0.106 4.576 4.470 0.001 0.000 0.233 133 S C 0.850 175.317 174.600 -0.223 0.000 0.951 133 S CA 0.411 58.453 58.200 -0.263 0.000 0.973 133 S CB -0.381 62.693 63.200 -0.210 0.000 0.778 133 S HN 0.492 nan 8.310 nan 0.000 0.477 134 T N 1.850 116.248 114.554 -0.259 0.000 3.209 134 T HA 0.364 4.714 4.350 0.001 0.000 0.295 134 T C -1.093 173.463 174.700 -0.239 0.000 0.977 134 T CA -0.283 61.697 62.100 -0.201 0.000 0.922 134 T CB 0.192 68.964 68.868 -0.161 0.000 1.152 134 T HN 0.410 nan 8.240 nan 0.000 0.527 135 L N 0.147 121.162 121.223 -0.346 0.000 3.141 135 L HA 0.530 4.870 4.340 0.001 0.000 0.254 135 L C -1.275 175.286 176.870 -0.515 0.000 0.951 135 L CA -1.174 53.389 54.840 -0.461 0.000 1.138 135 L CB 0.069 41.644 42.059 -0.807 0.000 1.685 135 L HN 0.073 nan 8.230 nan 0.000 0.556 136 L N 0.992 122.067 121.223 -0.245 0.000 2.372 136 L HA 0.987 5.327 4.340 0.001 0.000 0.274 136 L C -2.487 174.371 176.870 -0.021 0.000 0.988 136 L CA -1.322 53.421 54.840 -0.161 0.000 0.833 136 L CB 2.102 44.068 42.059 -0.155 0.000 1.236 136 L HN 0.406 nan 8.230 nan 0.000 0.410 137 P HA 0.193 nan 4.420 nan 0.000 0.253 137 P C 0.307 177.608 177.300 0.003 0.000 1.667 137 P CA -0.146 62.988 63.100 0.057 0.000 1.118 137 P CB 1.608 33.370 31.700 0.103 0.000 1.595 138 S N 1.366 117.059 115.700 -0.011 0.000 3.382 138 S HA -0.097 4.374 4.470 0.001 0.000 0.293 138 S C 0.533 175.118 174.600 -0.024 0.000 1.262 138 S CA 1.266 59.456 58.200 -0.017 0.000 0.969 138 S CB -1.523 61.670 63.200 -0.012 0.000 1.136 138 S HN 1.005 nan 8.310 nan 0.000 0.635 139 G N -1.281 107.495 108.800 -0.040 0.000 2.342 139 G HA2 0.540 4.500 3.960 0.001 0.000 0.297 139 G HA3 0.540 4.500 3.960 0.001 0.000 0.297 139 G C -1.398 173.449 174.900 -0.088 0.000 1.313 139 G CA 0.315 45.383 45.100 -0.053 0.000 0.830 139 G HN 0.888 nan 8.290 nan 0.000 0.506 140 S N -0.646 114.993 115.700 -0.101 0.000 2.546 140 S HA 0.964 5.435 4.470 0.001 0.000 0.274 140 S C -0.022 174.490 174.600 -0.148 0.000 1.121 140 S CA -0.579 57.532 58.200 -0.149 0.000 0.887 140 S CB 2.350 65.467 63.200 -0.139 0.000 1.094 140 S HN 1.027 nan 8.310 nan 0.000 0.474 141 R N 0.334 120.707 120.500 -0.211 0.000 4.262 141 R HA -0.090 4.251 4.340 0.001 0.000 0.161 141 R C 0.224 176.422 176.300 -0.170 0.000 0.329 141 R CA -0.347 55.651 56.100 -0.171 0.000 0.664 141 R CB -0.894 29.358 30.300 -0.081 0.000 1.191 141 R HN 0.702 nan 8.270 nan 0.000 0.459 142 E N 0.480 120.643 120.200 -0.063 0.000 2.077 142 E HA -0.139 4.211 4.350 0.001 0.000 0.193 142 E C 1.279 177.596 176.600 -0.471 0.000 0.989 142 E CA 1.999 58.335 56.400 -0.106 0.000 0.800 142 E CB -0.109 29.526 29.700 -0.109 0.000 0.746 142 E HN 0.494 nan 8.360 nan 0.000 0.452 143 T N 0.949 115.187 114.554 -0.527 0.000 2.881 143 T HA -0.113 4.237 4.350 0.001 0.000 0.270 143 T C 1.967 176.543 174.700 -0.206 0.000 1.068 143 T CA 1.038 62.839 62.100 -0.499 0.000 1.131 143 T CB -0.124 68.696 68.868 -0.080 0.000 0.871 143 T HN 0.236 nan 8.240 nan 0.000 0.479 144 A N 1.411 124.135 122.820 -0.160 0.000 1.929 144 A HA 0.318 4.639 4.320 0.001 0.000 0.216 144 A C 2.669 180.215 177.584 -0.063 0.000 1.176 144 A CA 1.449 53.426 52.037 -0.100 0.000 0.628 144 A CB -1.025 17.893 19.000 -0.137 0.000 0.816 144 A HN 0.492 nan 8.150 nan 0.000 0.444 145 A N 0.121 122.892 122.820 -0.081 0.000 1.883 145 A HA 0.113 4.434 4.320 0.001 0.000 0.217 145 A C 2.448 180.172 177.584 0.232 0.000 1.186 145 A CA 2.115 54.207 52.037 0.092 0.000 0.624 145 A CB -1.001 18.074 19.000 0.125 0.000 0.822 145 A HN 1.098 nan 8.150 nan 0.000 0.444 146 A N -0.668 122.205 122.820 0.089 0.000 2.121 146 A HA 0.005 4.326 4.320 0.001 0.000 0.218 146 A C 2.242 179.905 177.584 0.132 0.000 1.154 146 A CA 2.179 54.302 52.037 0.144 0.000 0.679 146 A CB -0.931 18.141 19.000 0.121 0.000 0.795 146 A HN 0.762 nan 8.150 nan 0.000 0.458 147 T N -4.999 109.601 114.554 0.077 0.000 3.037 147 T HA 0.097 4.448 4.350 0.001 0.000 0.252 147 T C 1.558 176.242 174.700 -0.026 0.000 1.073 147 T CA 0.757 62.877 62.100 0.033 0.000 1.091 147 T CB -0.366 68.512 68.868 0.016 0.000 0.935 147 T HN 0.247 nan 8.240 nan 0.000 0.488 148 F N 1.341 121.177 119.950 -0.190 0.000 2.234 148 F HA 0.413 4.941 4.527 0.002 0.000 0.296 148 F C -0.129 175.378 175.800 -0.489 0.000 1.089 148 F CA -0.344 57.402 58.000 -0.423 0.000 1.343 148 F CB 0.280 38.856 39.000 -0.707 0.000 1.040 148 F HN 0.055 nan 8.300 nan 0.000 0.498 149 F N -0.160 119.908 119.950 0.197 0.000 2.469 149 F HA 0.246 4.774 4.527 0.000 0.000 0.332 149 F C 1.495 177.332 175.800 0.062 0.000 1.103 149 F CA -0.413 57.668 58.000 0.135 0.000 0.979 149 F CB 1.321 40.461 39.000 0.234 0.000 1.137 149 F HN -0.169 nan 8.300 nan 0.000 0.463 150 S N 0.938 116.754 115.700 0.193 0.000 2.343 150 S HA -0.085 4.385 4.470 0.001 0.000 0.219 150 S C 0.544 175.224 174.600 0.133 0.000 1.033 150 S CA 0.917 59.182 58.200 0.108 0.000 1.014 150 S CB -0.465 62.766 63.200 0.052 0.000 0.915 150 S HN 0.648 nan 8.310 nan 0.000 0.435 151 S N -0.413 115.371 115.700 0.140 0.000 2.619 151 S HA 0.789 5.260 4.470 0.001 0.000 0.280 151 S C -0.883 173.773 174.600 0.094 0.000 1.150 151 S CA -0.692 57.575 58.200 0.111 0.000 0.978 151 S CB 2.103 65.345 63.200 0.070 0.000 1.041 151 S HN 0.276 nan 8.310 nan 0.000 0.485 152 S N 0.872 116.630 115.700 0.097 0.000 2.651 152 S HA 0.714 5.185 4.470 0.001 0.000 0.279 152 S C -1.379 173.263 174.600 0.070 0.000 1.148 152 S CA -0.750 57.483 58.200 0.055 0.000 0.837 152 S CB 1.671 64.907 63.200 0.061 0.000 1.138 152 S HN 1.144 nan 8.310 nan 0.000 0.478 153 c N 2.687 121.325 118.600 0.063 0.000 2.335 153 c HA 0.760 5.331 4.570 0.001 0.000 0.318 153 c C -0.930 173.230 174.090 0.117 0.000 1.150 153 c CA -0.195 56.183 56.329 0.081 0.000 1.466 153 c CB -1.391 41.163 42.510 0.072 0.000 2.024 153 c HN 0.572 nan 8.230 nan 0.000 0.429 154 V N 8.992 128.942 119.914 0.059 0.000 2.266 154 V HA 0.331 4.452 4.120 0.001 0.000 0.271 154 V C -2.095 173.959 176.094 -0.068 0.000 1.032 154 V CA -1.307 60.969 62.300 -0.040 0.000 0.806 154 V CB 1.082 32.761 31.823 -0.242 0.000 1.052 154 V HN 0.730 nan 8.190 nan 0.000 0.449 155 P HA 0.109 nan 4.420 nan 0.000 0.265 155 P C 0.622 177.917 177.300 -0.009 0.000 1.187 155 P CA 0.277 63.406 63.100 0.049 0.000 0.766 155 P CB 0.269 32.105 31.700 0.226 0.000 0.820 156 c N 1.044 119.635 118.600 -0.015 0.000 4.912 156 c HA -0.082 4.489 4.570 0.001 0.000 0.241 156 c C 0.924 174.970 174.090 -0.073 0.000 1.248 156 c CA 0.405 56.721 56.329 -0.023 0.000 1.473 156 c CB -2.554 39.977 42.510 0.036 0.000 1.735 156 c HN 0.788 nan 8.230 nan 0.000 0.666 157 A N 0.266 123.028 122.820 -0.096 0.000 2.317 157 A HA 0.597 4.918 4.320 0.001 0.000 0.327 157 A C -0.278 177.309 177.584 0.006 0.000 1.178 157 A CA 0.171 52.153 52.037 -0.092 0.000 0.817 157 A CB 0.456 19.353 19.000 -0.173 0.000 1.189 157 A HN 0.447 nan 8.150 nan 0.000 0.489 158 D N 2.089 122.524 120.400 0.058 0.000 2.412 158 D HA 0.305 4.945 4.640 0.001 0.000 0.257 158 D C 1.409 177.767 176.300 0.095 0.000 1.217 158 D CA 1.363 55.407 54.000 0.073 0.000 0.897 158 D CB 0.827 41.677 40.800 0.083 0.000 1.132 158 D HN 0.481 nan 8.370 nan 0.000 0.493 159 G N 3.461 112.292 108.800 0.052 0.000 2.494 159 G HA2 -0.181 3.779 3.960 0.001 0.000 0.216 159 G HA3 -0.181 3.779 3.960 0.001 0.000 0.216 159 G C 1.472 176.385 174.900 0.021 0.000 1.140 159 G CA 0.272 45.404 45.100 0.054 0.000 0.801 159 G HN 0.390 nan 8.290 nan 0.000 0.536 160 K N -0.028 120.367 120.400 -0.009 0.000 2.002 160 K HA 0.078 4.399 4.320 0.001 0.000 0.209 160 K C 2.381 178.911 176.600 -0.117 0.000 1.048 160 K CA 1.244 57.503 56.287 -0.047 0.000 0.930 160 K CB -0.365 32.108 32.500 -0.045 0.000 0.714 160 K HN 0.266 nan 8.250 nan 0.000 0.438 161 M N -0.798 118.691 119.600 -0.184 0.000 2.132 161 M HA -0.032 4.449 4.480 0.001 0.000 0.263 161 M C -0.408 175.404 176.300 -0.814 0.000 1.065 161 M CA 1.537 56.531 55.300 -0.510 0.000 1.122 161 M CB 0.421 32.673 32.600 -0.581 0.000 1.365 161 M HN -0.024 nan 8.290 nan 0.000 0.411 162 F N -0.985 118.983 119.950 0.029 0.000 2.686 162 F HA 0.354 4.881 4.527 0.001 0.000 0.365 162 F C -2.113 173.711 175.800 0.039 0.000 1.196 162 F CA -1.995 56.030 58.000 0.041 0.000 1.198 162 F CB 0.359 39.393 39.000 0.057 0.000 1.454 162 F HN -0.071 nan 8.300 nan 0.000 0.539 163 P HA -0.177 nan 4.420 nan 0.000 0.216 163 P C 1.496 178.870 177.300 0.123 0.000 1.153 163 P CA 1.487 64.644 63.100 0.096 0.000 0.858 163 P CB 0.228 31.962 31.700 0.057 0.000 0.789 164 S N -1.196 114.598 115.700 0.155 0.000 2.571 164 S HA -0.046 4.424 4.470 0.001 0.000 0.245 164 S C 1.378 176.073 174.600 0.158 0.000 0.976 164 S CA 0.794 59.085 58.200 0.151 0.000 0.954 164 S CB -0.833 62.468 63.200 0.168 0.000 0.756 164 S HN 0.174 nan 8.310 nan 0.000 0.535 165 L N -1.122 120.201 121.223 0.165 0.000 2.693 165 L HA 0.257 4.598 4.340 0.001 0.000 0.235 165 L C 0.920 177.846 176.870 0.092 0.000 1.127 165 L CA 0.048 54.966 54.840 0.131 0.000 0.914 165 L CB 0.508 42.646 42.059 0.131 0.000 1.193 165 L HN 0.349 nan 8.230 nan 0.000 0.502 166 c N -1.104 117.552 118.600 0.093 0.000 3.919 166 c HA 0.006 4.577 4.570 0.001 0.000 0.422 166 c C 2.404 176.539 174.090 0.074 0.000 1.533 166 c CA -0.196 56.177 56.329 0.073 0.000 2.014 166 c CB 0.320 42.866 42.510 0.059 0.000 2.967 166 c HN 0.571 nan 8.230 nan 0.000 0.692 167 Q N 0.514 120.360 119.800 0.075 0.000 2.170 167 Q HA -0.134 4.206 4.340 0.001 0.000 0.203 167 Q C 1.710 177.755 176.000 0.075 0.000 0.976 167 Q CA 1.432 57.275 55.803 0.067 0.000 0.858 167 Q CB -0.356 28.419 28.738 0.062 0.000 0.907 167 Q HN 0.511 nan 8.270 nan 0.000 0.433 168 L N 0.831 122.101 121.223 0.078 0.000 2.610 168 L HA 0.133 4.474 4.340 0.001 0.000 0.232 168 L C -0.145 176.824 176.870 0.166 0.000 1.149 168 L CA 0.133 55.017 54.840 0.074 0.000 0.872 168 L CB 0.181 42.247 42.059 0.011 0.000 0.992 168 L HN 0.306 nan 8.230 nan 0.000 0.447 169 c N 1.211 119.930 118.600 0.198 0.000 2.566 169 c HA 0.519 5.090 4.570 0.001 0.000 0.393 169 c C 1.229 175.430 174.090 0.185 0.000 1.309 169 c CA -0.725 55.793 56.329 0.315 0.000 1.801 169 c CB -0.633 41.972 42.510 0.159 0.000 2.493 169 c HN 0.518 nan 8.230 nan 0.000 0.575 170 A N 3.349 126.216 122.820 0.078 0.000 3.157 170 A HA 0.581 4.901 4.320 0.001 0.000 0.276 170 A C 0.652 178.068 177.584 -0.279 0.000 1.524 170 A CA -0.092 51.866 52.037 -0.132 0.000 1.236 170 A CB -0.399 18.544 19.000 -0.095 0.000 1.173 170 A HN 1.090 nan 8.150 nan 0.000 0.595 171 G N 1.556 110.259 108.800 -0.162 0.000 2.805 171 G HA2 0.468 4.429 3.960 0.001 0.000 0.283 171 G HA3 0.468 4.429 3.960 0.001 0.000 0.283 171 G C -0.215 174.637 174.900 -0.080 0.000 1.508 171 G CA -0.730 44.282 45.100 -0.146 0.000 1.042 171 G HN 0.715 nan 8.290 nan 0.000 0.543 172 K N 1.691 122.051 120.400 -0.067 0.000 2.180 172 K HA 0.733 5.054 4.320 0.001 0.000 0.251 172 K C 0.926 177.503 176.600 -0.039 0.000 1.014 172 K CA 0.295 56.557 56.287 -0.042 0.000 0.913 172 K CB 0.846 33.326 32.500 -0.034 0.000 1.008 172 K HN 1.481 nan 8.250 nan 0.000 0.490 173 G N 0.369 109.152 108.800 -0.028 0.000 2.584 173 G HA2 -0.281 3.680 3.960 0.001 0.000 0.229 173 G HA3 -0.281 3.680 3.960 0.001 0.000 0.229 173 G C 0.508 175.391 174.900 -0.028 0.000 1.320 173 G CA 0.020 45.104 45.100 -0.026 0.000 0.891 173 G HN 0.617 nan 8.290 nan 0.000 0.573 174 T N 0.682 115.219 114.554 -0.029 0.000 3.118 174 T HA 0.113 4.464 4.350 0.001 0.000 0.260 174 T C 1.361 176.037 174.700 -0.040 0.000 1.139 174 T CA 1.659 63.741 62.100 -0.030 0.000 1.085 174 T CB -0.206 68.644 68.868 -0.029 0.000 0.934 174 T HN 0.496 nan 8.240 nan 0.000 0.518 175 D N 1.206 121.578 120.400 -0.047 0.000 2.338 175 D HA 0.022 4.662 4.640 0.001 0.000 0.239 175 D C 0.845 177.108 176.300 -0.061 0.000 1.095 175 D CA 0.311 54.273 54.000 -0.062 0.000 0.888 175 D CB -0.013 40.746 40.800 -0.067 0.000 0.899 175 D HN 0.126 nan 8.370 nan 0.000 0.525 176 K N 0.749 121.122 120.400 -0.044 0.000 2.336 176 K HA 0.038 4.359 4.320 0.001 0.000 0.290 176 K C 0.126 176.713 176.600 -0.021 0.000 1.067 176 K CA -0.005 56.264 56.287 -0.030 0.000 0.962 176 K CB -0.105 32.385 32.500 -0.016 0.000 1.008 176 K HN 0.166 nan 8.250 nan 0.000 0.467 177 c N 2.676 121.268 118.600 -0.012 0.000 4.497 177 c HA -0.216 4.355 4.570 0.001 0.000 0.292 177 c C 0.757 174.829 174.090 -0.030 0.000 1.366 177 c CA 0.307 56.638 56.329 0.003 0.000 1.987 177 c CB -2.240 40.279 42.510 0.014 0.000 1.241 177 c HN 0.867 nan 8.230 nan 0.000 0.788 178 A N -0.390 122.389 122.820 -0.069 0.000 2.492 178 A HA 0.351 4.672 4.320 0.001 0.000 0.236 178 A C 1.073 178.529 177.584 -0.213 0.000 1.078 178 A CA 0.754 52.712 52.037 -0.130 0.000 0.773 178 A CB 0.136 19.041 19.000 -0.158 0.000 1.023 178 A HN 1.450 nan 8.150 nan 0.000 0.504 179 c N 1.469 119.909 118.600 -0.267 0.000 2.525 179 c HA 0.536 5.107 4.570 0.001 0.000 0.313 179 c C 0.969 174.542 174.090 -0.862 0.000 1.311 179 c CA 0.179 56.296 56.329 -0.353 0.000 1.725 179 c CB -2.523 39.927 42.510 -0.100 0.000 1.926 179 c HN 0.746 nan 8.230 nan 0.000 0.595 180 S N -1.107 113.992 115.700 -1.001 0.000 2.811 180 S HA 0.306 4.777 4.470 0.001 0.000 0.311 180 S C 0.782 174.917 174.600 -0.775 0.000 1.152 180 S CA -0.368 57.277 58.200 -0.925 0.000 0.864 180 S CB 1.688 64.686 63.200 -0.338 0.000 1.226 180 S HN 0.278 nan 8.310 nan 0.000 0.541 181 S N 0.929 116.534 115.700 -0.158 0.000 2.603 181 S HA 0.026 4.496 4.470 0.001 0.000 0.229 181 S C 1.594 176.199 174.600 0.009 0.000 0.972 181 S CA 0.235 58.511 58.200 0.127 0.000 0.935 181 S CB -0.189 63.200 63.200 0.315 0.000 0.769 181 S HN 0.383 nan 8.310 nan 0.000 0.536 182 R N 1.213 121.670 120.500 -0.072 0.000 2.148 182 R HA 0.075 4.416 4.340 0.001 0.000 0.227 182 R C 0.555 176.799 176.300 -0.092 0.000 1.103 182 R CA 0.621 56.685 56.100 -0.061 0.000 0.983 182 R CB -0.003 30.251 30.300 -0.076 0.000 0.874 182 R HN 0.249 nan 8.270 nan 0.000 0.451 183 E N 1.088 121.219 120.200 -0.115 0.000 2.130 183 E HA 0.109 4.459 4.350 0.001 0.000 0.284 183 E C -1.914 174.592 176.600 -0.157 0.000 1.018 183 E CA -2.465 53.862 56.400 -0.122 0.000 0.817 183 E CB 1.590 31.248 29.700 -0.070 0.000 1.078 183 E HN -0.120 nan 8.360 nan 0.000 0.396 184 P HA -0.155 nan 4.420 nan 0.000 0.218 184 P C 0.143 177.234 177.300 -0.348 0.000 1.146 184 P CA 1.271 64.130 63.100 -0.401 0.000 0.820 184 P CB 0.075 31.423 31.700 -0.586 0.000 0.778 185 Y N -3.282 116.937 120.300 -0.135 0.000 2.493 185 Y HA 0.282 4.832 4.550 0.001 0.000 0.275 185 Y C 0.793 176.604 175.900 -0.149 0.000 1.183 185 Y CA -1.619 56.387 58.100 -0.157 0.000 1.258 185 Y CB -1.184 37.215 38.460 -0.100 0.000 1.108 185 Y HN -0.099 nan 8.280 nan 0.000 0.521 186 F N 1.204 121.044 119.950 -0.184 0.000 2.429 186 F HA 0.536 5.063 4.527 0.001 0.000 0.348 186 F C 0.985 176.579 175.800 -0.344 0.000 1.109 186 F CA 0.573 58.435 58.000 -0.229 0.000 1.232 186 F CB 0.297 39.194 39.000 -0.171 0.000 1.157 186 F HN 0.295 nan 8.300 nan 0.000 0.564 187 G N 3.349 111.378 108.800 -1.286 0.000 2.782 187 G HA2 -0.202 3.758 3.960 0.001 0.000 0.228 187 G HA3 -0.202 3.758 3.960 0.001 0.000 0.228 187 G C 0.457 175.043 174.900 -0.524 0.000 1.372 187 G CA -0.076 44.400 45.100 -1.039 0.000 0.862 187 G HN 1.499 nan 8.290 nan 0.000 0.547 188 S N -1.187 114.361 115.700 -0.253 0.000 2.406 188 S HA -0.035 4.435 4.470 0.001 0.000 0.224 188 S C 1.919 176.504 174.600 -0.025 0.000 1.030 188 S CA 1.998 60.140 58.200 -0.097 0.000 0.958 188 S CB -0.366 62.822 63.200 -0.020 0.000 0.811 188 S HN 1.574 nan 8.310 nan 0.000 0.489 189 W N 2.068 123.272 121.300 -0.160 0.000 2.678 189 W HA 0.441 5.101 4.660 0.002 0.000 0.256 189 W C 1.621 178.092 176.519 -0.079 0.000 1.280 189 W CA 0.352 57.626 57.345 -0.118 0.000 1.345 189 W CB -1.340 28.057 29.460 -0.106 0.000 1.118 189 W HN 0.374 nan 8.180 nan 0.000 0.629 190 G N 0.815 109.209 108.800 -0.678 0.000 2.539 190 G HA2 0.097 4.058 3.960 0.001 0.000 0.215 190 G HA3 0.097 4.058 3.960 0.001 0.000 0.215 190 G C 1.709 176.476 174.900 -0.221 0.000 1.141 190 G CA 0.843 45.588 45.100 -0.593 0.000 0.806 190 G HN 0.280 nan 8.290 nan 0.000 0.533 191 A N 0.236 122.923 122.820 -0.221 0.000 2.123 191 A HA 0.359 4.679 4.320 0.001 0.000 0.214 191 A C 2.197 179.664 177.584 -0.195 0.000 1.152 191 A CA 0.384 52.306 52.037 -0.193 0.000 0.728 191 A CB -0.166 18.720 19.000 -0.190 0.000 0.814 191 A HN 0.325 nan 8.150 nan 0.000 0.464 192 L N -0.997 120.134 121.223 -0.155 0.000 2.240 192 L HA -0.025 4.316 4.340 0.001 0.000 0.211 192 L C 2.438 179.234 176.870 -0.123 0.000 1.106 192 L CA 1.261 56.011 54.840 -0.150 0.000 0.793 192 L CB -0.160 41.838 42.059 -0.102 0.000 0.927 192 L HN 0.393 nan 8.230 nan 0.000 0.446 193 K N -0.446 119.908 120.400 -0.075 0.000 2.217 193 K HA -0.182 4.139 4.320 0.001 0.000 0.202 193 K C 2.328 178.949 176.600 0.036 0.000 1.051 193 K CA 1.093 57.378 56.287 -0.004 0.000 0.952 193 K CB -0.100 32.402 32.500 0.003 0.000 0.736 193 K HN 0.404 nan 8.250 nan 0.000 0.453 194 c N 0.426 118.979 118.600 -0.079 0.000 2.453 194 c HA -0.034 4.536 4.570 0.001 0.000 0.277 194 c C 2.380 176.340 174.090 -0.217 0.000 1.262 194 c CA 0.530 56.645 56.329 -0.355 0.000 1.718 194 c CB -0.847 41.136 42.510 -0.878 0.000 2.031 194 c HN 0.607 nan 8.230 nan 0.000 0.480 195 L N 1.100 122.208 121.223 -0.192 0.000 2.141 195 L HA -0.025 4.316 4.340 0.001 0.000 0.209 195 L C 2.564 179.431 176.870 -0.005 0.000 1.094 195 L CA 2.058 56.830 54.840 -0.114 0.000 0.763 195 L CB -0.986 40.973 42.059 -0.167 0.000 0.908 195 L HN 0.422 nan 8.230 nan 0.000 0.437 196 Q N -0.397 119.389 119.800 -0.023 0.000 2.167 196 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 196 Q C 1.708 177.756 176.000 0.081 0.000 0.970 196 Q CA 1.801 57.644 55.803 0.065 0.000 0.855 196 Q CB -0.162 28.594 28.738 0.030 0.000 0.911 196 Q HN 0.523 nan 8.270 nan 0.000 0.438 197 D N -1.445 118.987 120.400 0.053 0.000 2.317 197 D HA 0.030 4.671 4.640 0.001 0.000 0.211 197 D C 0.792 177.122 176.300 0.049 0.000 0.966 197 D CA 1.099 55.140 54.000 0.067 0.000 0.876 197 D CB 0.101 40.970 40.800 0.115 0.000 0.927 197 D HN 0.461 nan 8.370 nan 0.000 0.519 198 G N 0.679 109.500 108.800 0.034 0.000 2.143 198 G HA2 -0.324 3.636 3.960 0.001 0.000 0.248 198 G HA3 -0.324 3.636 3.960 0.001 0.000 0.248 198 G C 1.148 176.051 174.900 0.006 0.000 0.991 198 G CA 0.929 46.049 45.100 0.033 0.000 0.689 198 G HN 0.316 nan 8.290 nan 0.000 0.522 199 T N -0.462 114.074 114.554 -0.030 0.000 3.023 199 T HA 0.500 4.851 4.350 0.001 0.000 0.266 199 T C 1.263 175.911 174.700 -0.087 0.000 1.093 199 T CA 1.883 63.954 62.100 -0.048 0.000 1.129 199 T CB 0.202 69.023 68.868 -0.078 0.000 0.899 199 T HN 1.569 nan 8.240 nan 0.000 0.491 200 A N 0.591 123.342 122.820 -0.114 0.000 2.532 200 A HA 0.641 4.962 4.320 0.001 0.000 0.290 200 A C -0.484 177.068 177.584 -0.053 0.000 1.143 200 A CA -0.701 51.268 52.037 -0.114 0.000 0.728 200 A CB 1.153 20.024 19.000 -0.214 0.000 1.317 200 A HN 0.054 nan 8.150 nan 0.000 0.414 201 D N -1.088 119.297 120.400 -0.025 0.000 2.380 201 D HA 0.287 4.928 4.640 0.001 0.000 0.212 201 D C -0.008 176.328 176.300 0.060 0.000 1.021 201 D CA 0.969 55.020 54.000 0.086 0.000 0.884 201 D CB 0.580 41.462 40.800 0.137 0.000 1.001 201 D HN 0.279 nan 8.370 nan 0.000 0.506 202 V N -0.083 119.772 119.914 -0.098 0.000 2.789 202 V HA 0.657 4.778 4.120 0.001 0.000 0.311 202 V C -0.517 175.247 176.094 -0.551 0.000 1.073 202 V CA -0.870 61.264 62.300 -0.277 0.000 0.921 202 V CB 2.240 33.897 31.823 -0.277 0.000 1.009 202 V HN -0.191 nan 8.190 nan 0.000 0.426 203 S N 3.077 118.388 115.700 -0.648 0.000 2.736 203 S HA 0.671 5.142 4.470 0.001 0.000 0.285 203 S C -1.031 173.200 174.600 -0.615 0.000 1.163 203 S CA -0.361 57.459 58.200 -0.634 0.000 1.025 203 S CB 0.781 63.758 63.200 -0.371 0.000 1.030 203 S HN 0.467 nan 8.310 nan 0.000 0.486 204 F N 3.278 123.121 119.950 -0.179 0.000 2.424 204 F HA 0.581 5.109 4.527 0.001 0.000 0.356 204 F C 0.785 176.579 175.800 -0.011 0.000 1.110 204 F CA -0.594 57.373 58.000 -0.056 0.000 1.161 204 F CB 0.655 39.633 39.000 -0.036 0.000 1.115 204 F HN 0.362 nan 8.300 nan 0.000 0.507 205 V N -0.281 119.749 119.914 0.193 0.000 3.076 205 V HA 0.643 4.763 4.120 0.001 0.000 0.311 205 V C -0.735 175.493 176.094 0.224 0.000 1.346 205 V CA -1.582 60.805 62.300 0.144 0.000 1.056 205 V CB 1.751 33.595 31.823 0.036 0.000 1.093 205 V HN 0.529 nan 8.190 nan 0.000 0.468 206 K N 0.504 121.000 120.400 0.161 0.000 2.090 206 K HA 0.428 4.749 4.320 0.001 0.000 0.249 206 K C 1.119 177.820 176.600 0.168 0.000 0.995 206 K CA -0.059 56.348 56.287 0.200 0.000 0.914 206 K CB 0.625 33.085 32.500 -0.067 0.000 1.057 206 K HN 0.974 nan 8.250 nan 0.000 0.462 207 H N 1.612 120.786 119.070 0.172 0.000 2.436 207 H HA -0.020 4.537 4.556 0.001 0.000 0.294 207 H C 1.401 176.742 175.328 0.022 0.000 1.048 207 H CA 1.206 57.352 56.048 0.164 0.000 1.353 207 H CB -0.127 29.817 29.762 0.302 0.000 1.414 207 H HN 0.450 nan 8.280 nan 0.000 0.536 208 L N 1.172 121.913 121.223 -0.803 0.000 2.027 208 L HA -0.098 4.243 4.340 0.001 0.000 0.206 208 L C 2.611 179.046 176.870 -0.724 0.000 1.074 208 L CA 1.751 56.053 54.840 -0.896 0.000 0.745 208 L CB -0.634 40.887 42.059 -0.896 0.000 0.898 208 L HN 0.221 nan 8.230 nan 0.000 0.433 209 T N -0.842 113.455 114.554 -0.428 0.000 2.977 209 T HA -0.105 4.245 4.350 0.001 0.000 0.271 209 T C 1.941 176.523 174.700 -0.196 0.000 1.105 209 T CA 0.827 62.760 62.100 -0.278 0.000 1.116 209 T CB -0.151 68.637 68.868 -0.133 0.000 0.878 209 T HN 0.062 nan 8.240 nan 0.000 0.509 210 V N 1.763 121.588 119.914 -0.148 0.000 2.270 210 V HA -0.073 4.048 4.120 0.001 0.000 0.245 210 V C 1.932 178.039 176.094 0.022 0.000 1.043 210 V CA 1.628 63.911 62.300 -0.028 0.000 1.014 210 V CB -0.639 31.229 31.823 0.075 0.000 0.645 210 V HN 0.742 nan 8.190 nan 0.000 0.447 211 F N 0.120 120.033 119.950 -0.061 0.000 2.732 211 F HA 0.331 4.859 4.527 0.001 0.000 0.303 211 F C 1.799 177.570 175.800 -0.048 0.000 1.110 211 F CA 0.465 58.441 58.000 -0.040 0.000 1.355 211 F CB -0.430 38.549 39.000 -0.035 0.000 1.081 211 F HN 0.188 nan 8.300 nan 0.000 0.565 212 E N 1.245 121.194 120.200 -0.418 0.000 2.250 212 E HA 0.284 4.635 4.350 0.001 0.000 0.192 212 E C 0.259 176.772 176.600 -0.145 0.000 0.986 212 E CA 0.368 56.556 56.400 -0.354 0.000 0.849 212 E CB 0.210 29.647 29.700 -0.439 0.000 0.797 212 E HN 0.378 nan 8.360 nan 0.000 0.482 213 A N 1.293 124.060 122.820 -0.089 0.000 2.319 213 A HA 0.647 4.968 4.320 0.001 0.000 0.310 213 A C -0.799 176.795 177.584 0.017 0.000 1.152 213 A CA -0.593 51.430 52.037 -0.023 0.000 0.783 213 A CB 0.780 19.782 19.000 0.004 0.000 1.184 213 A HN 0.181 nan 8.150 nan 0.000 0.474 214 M N 4.523 124.143 119.600 0.033 0.000 2.224 214 M HA 0.312 4.792 4.480 0.001 0.000 0.281 214 M C -1.619 174.711 176.300 0.051 0.000 1.025 214 M CA -1.357 53.976 55.300 0.054 0.000 0.954 214 M CB 2.565 35.208 32.600 0.071 0.000 1.639 214 M HN 0.652 nan 8.290 nan 0.000 0.461 215 P HA -0.062 nan 4.420 nan 0.000 0.214 215 P C 0.861 178.191 177.300 0.049 0.000 1.162 215 P CA 1.591 64.724 63.100 0.054 0.000 0.874 215 P CB 0.104 31.843 31.700 0.065 0.000 0.784 216 T N -3.031 111.556 114.554 0.056 0.000 3.555 216 T HA 0.280 4.630 4.350 0.001 0.000 0.201 216 T C 1.714 176.442 174.700 0.046 0.000 0.850 216 T CA 0.998 63.126 62.100 0.046 0.000 1.646 216 T CB 0.323 69.218 68.868 0.045 0.000 1.774 216 T HN 0.062 nan 8.240 nan 0.000 0.447 217 K N 0.181 120.612 120.400 0.051 0.000 3.157 217 K HA 0.536 4.856 4.320 0.001 0.000 0.227 217 K C 1.228 177.863 176.600 0.058 0.000 2.067 217 K CA 0.479 56.796 56.287 0.050 0.000 1.439 217 K CB -0.434 32.090 32.500 0.039 0.000 2.372 217 K HN 0.382 nan 8.250 nan 0.000 0.557 218 A N 1.422 124.274 122.820 0.052 0.000 2.532 218 A HA 0.148 4.468 4.320 0.001 0.000 0.273 218 A C 0.932 178.557 177.584 0.069 0.000 1.342 218 A CA 0.467 52.537 52.037 0.055 0.000 0.929 218 A CB -0.374 18.648 19.000 0.037 0.000 1.051 218 A HN 0.483 nan 8.150 nan 0.000 0.521 219 D N 1.205 121.658 120.400 0.088 0.000 2.269 219 D HA -0.161 4.480 4.640 0.001 0.000 0.208 219 D C 2.002 178.426 176.300 0.208 0.000 0.963 219 D CA 0.964 55.040 54.000 0.126 0.000 0.864 219 D CB 0.141 41.020 40.800 0.132 0.000 0.936 219 D HN 0.547 nan 8.370 nan 0.000 0.505 220 R N 0.850 121.451 120.500 0.169 0.000 2.148 220 R HA -0.101 4.240 4.340 0.001 0.000 0.223 220 R C 1.264 177.683 176.300 0.198 0.000 1.088 220 R CA 1.028 57.241 56.100 0.187 0.000 0.985 220 R CB -1.142 29.244 30.300 0.144 0.000 0.880 220 R HN 0.056 nan 8.270 nan 0.000 0.451 221 D N 0.551 121.032 120.400 0.136 0.000 2.349 221 D HA -0.079 4.562 4.640 0.001 0.000 0.224 221 D C 1.117 177.456 176.300 0.066 0.000 1.029 221 D CA 0.201 54.257 54.000 0.094 0.000 0.879 221 D CB 0.153 40.987 40.800 0.057 0.000 0.906 221 D HN 0.141 nan 8.370 nan 0.000 0.528 222 Q N -0.640 119.203 119.800 0.073 0.000 2.247 222 Q HA 0.180 4.521 4.340 0.001 0.000 0.205 222 Q C -1.275 174.522 176.000 -0.338 0.000 0.896 222 Q CA 0.095 55.822 55.803 -0.126 0.000 0.950 222 Q CB -0.042 28.575 28.738 -0.201 0.000 1.054 222 Q HN 0.283 nan 8.270 nan 0.000 0.482 223 Y N -1.170 119.131 120.300 0.001 0.000 2.588 223 Y HA 0.459 5.009 4.550 0.001 0.000 0.343 223 Y C 0.122 176.016 175.900 -0.010 0.000 1.065 223 Y CA -1.307 56.787 58.100 -0.010 0.000 1.038 223 Y CB 1.401 39.859 38.460 -0.003 0.000 1.297 223 Y HN -0.153 nan 8.280 nan 0.000 0.467 224 E N 1.066 121.354 120.200 0.147 0.000 2.254 224 E HA 0.524 4.875 4.350 0.001 0.000 0.261 224 E C -1.561 175.084 176.600 0.075 0.000 1.051 224 E CA -0.897 55.543 56.400 0.066 0.000 0.902 224 E CB 2.442 32.135 29.700 -0.010 0.000 1.168 224 E HN 0.445 nan 8.360 nan 0.000 0.423 225 L N 1.681 122.939 121.223 0.058 0.000 2.409 225 L HA 0.285 4.625 4.340 0.001 0.000 0.272 225 L C -1.495 175.412 176.870 0.061 0.000 0.980 225 L CA -0.643 54.241 54.840 0.073 0.000 0.826 225 L CB 1.385 43.502 42.059 0.097 0.000 1.268 225 L HN 0.289 nan 8.230 nan 0.000 0.407 226 L N 4.601 125.871 121.223 0.079 0.000 2.367 226 L HA 0.399 4.740 4.340 0.001 0.000 0.275 226 L C -0.143 176.768 176.870 0.067 0.000 1.129 226 L CA 0.499 55.388 54.840 0.081 0.000 0.839 226 L CB 0.659 42.795 42.059 0.128 0.000 1.133 226 L HN 0.655 nan 8.230 nan 0.000 0.453 227 c N 2.297 120.914 118.600 0.027 0.000 2.505 227 c HA 0.367 4.938 4.570 0.001 0.000 0.358 227 c C 1.737 175.803 174.090 -0.039 0.000 1.226 227 c CA -0.805 55.510 56.329 -0.023 0.000 1.900 227 c CB 1.389 43.868 42.510 -0.051 0.000 2.306 227 c HN 0.909 nan 8.230 nan 0.000 0.512 228 M N 2.258 121.793 119.600 -0.108 0.000 2.175 228 M HA -0.065 4.416 4.480 0.001 0.000 0.264 228 M C 1.632 177.891 176.300 -0.067 0.000 1.063 228 M CA 1.639 56.879 55.300 -0.101 0.000 1.119 228 M CB -0.574 31.916 32.600 -0.183 0.000 1.377 228 M HN 0.812 nan 8.290 nan 0.000 0.415 229 D N -1.149 119.208 120.400 -0.072 0.000 2.346 229 D HA -0.128 4.513 4.640 0.001 0.000 0.248 229 D C -0.114 176.172 176.300 -0.024 0.000 1.173 229 D CA 0.195 54.167 54.000 -0.047 0.000 0.878 229 D CB -1.124 39.645 40.800 -0.052 0.000 0.919 229 D HN 0.428 nan 8.370 nan 0.000 0.513 230 N N 0.169 118.861 118.700 -0.013 0.000 2.725 230 N HA -0.145 4.596 4.740 0.001 0.000 0.251 230 N C -1.148 174.365 175.510 0.006 0.000 1.031 230 N CA 0.975 54.030 53.050 0.009 0.000 0.720 230 N CB -1.170 37.325 38.487 0.014 0.000 0.930 230 N HN 0.339 nan 8.380 nan 0.000 0.543 231 T N 0.322 114.875 114.554 -0.003 0.000 2.901 231 T HA 0.504 4.854 4.350 0.001 0.000 0.293 231 T C 0.183 174.880 174.700 -0.005 0.000 1.084 231 T CA -0.746 61.350 62.100 -0.006 0.000 1.008 231 T CB 1.975 70.833 68.868 -0.017 0.000 1.170 231 T HN 0.104 nan 8.240 nan 0.000 0.509 232 R N 0.831 121.325 120.500 -0.009 0.000 2.474 232 R HA 0.776 5.117 4.340 0.001 0.000 0.295 232 R C -0.273 176.022 176.300 -0.008 0.000 0.980 232 R CA -0.815 55.279 56.100 -0.009 0.000 0.934 232 R CB 1.550 31.836 30.300 -0.023 0.000 1.101 232 R HN 0.448 nan 8.270 nan 0.000 0.469 233 R N 2.270 122.770 120.500 0.001 0.000 2.643 233 R HA 0.332 4.672 4.340 0.001 0.000 0.269 233 R C -2.735 173.576 176.300 0.018 0.000 1.037 233 R CA -1.951 54.150 56.100 0.001 0.000 0.894 233 R CB 2.133 32.427 30.300 -0.010 0.000 1.238 233 R HN 0.367 nan 8.270 nan 0.000 0.459 234 P HA -0.141 nan 4.420 nan 0.000 0.268 234 P C 0.819 178.156 177.300 0.063 0.000 1.189 234 P CA -0.012 63.110 63.100 0.036 0.000 0.771 234 P CB 0.532 32.247 31.700 0.025 0.000 0.822 235 V N 0.106 120.073 119.914 0.088 0.000 2.358 235 V HA -0.197 3.923 4.120 0.001 0.000 0.246 235 V C 2.006 178.189 176.094 0.149 0.000 1.047 235 V CA 1.911 64.287 62.300 0.127 0.000 1.035 235 V CB -1.516 30.389 31.823 0.137 0.000 0.658 235 V HN 0.384 nan 8.190 nan 0.000 0.452 236 E N 1.592 121.857 120.200 0.109 0.000 2.284 236 E HA -0.214 4.137 4.350 0.001 0.000 0.200 236 E C 1.027 177.702 176.600 0.126 0.000 1.008 236 E CA 1.325 57.787 56.400 0.103 0.000 0.829 236 E CB -0.470 29.260 29.700 0.050 0.000 0.744 236 E HN 0.858 nan 8.360 nan 0.000 0.491 237 E N -0.254 119.994 120.200 0.079 0.000 2.026 237 E HA 0.054 4.405 4.350 0.001 0.000 0.253 237 E C -0.228 176.384 176.600 0.020 0.000 1.056 237 E CA -0.303 56.089 56.400 -0.013 0.000 0.927 237 E CB 0.162 29.840 29.700 -0.035 0.000 1.172 237 E HN 0.448 nan 8.360 nan 0.000 0.445 238 Y N 0.532 120.843 120.300 0.019 0.000 2.509 238 Y HA 0.226 4.777 4.550 0.001 0.000 0.270 238 Y C 1.882 177.718 175.900 -0.107 0.000 1.103 238 Y CA 0.009 58.135 58.100 0.042 0.000 1.278 238 Y CB 0.079 38.634 38.460 0.158 0.000 1.087 238 Y HN 0.233 nan 8.280 nan 0.000 0.542 239 E N 2.152 121.763 120.200 -0.982 0.000 2.006 239 E HA -0.202 4.148 4.350 0.001 0.000 0.192 239 E C 1.654 178.066 176.600 -0.314 0.000 0.993 239 E CA 2.074 57.982 56.400 -0.820 0.000 0.808 239 E CB -0.287 28.990 29.700 -0.706 0.000 0.764 239 E HN 0.728 nan 8.360 nan 0.000 0.449 240 Q N -0.845 118.814 119.800 -0.234 0.000 2.225 240 Q HA 0.175 4.515 4.340 0.001 0.000 0.222 240 Q C -0.670 175.236 176.000 -0.156 0.000 0.887 240 Q CA -0.044 55.669 55.803 -0.151 0.000 0.958 240 Q CB -0.156 28.506 28.738 -0.126 0.000 1.058 240 Q HN 0.158 nan 8.270 nan 0.000 0.459 241 c N 1.268 119.792 118.600 -0.126 0.000 3.277 241 c HA 0.540 5.111 4.570 0.001 0.000 0.352 241 c C -1.651 172.453 174.090 0.024 0.000 0.998 241 c CA -0.653 55.614 56.329 -0.104 0.000 1.303 241 c CB -0.414 42.079 42.510 -0.028 0.000 1.698 241 c HN 0.608 nan 8.230 nan 0.000 0.574 242 Y N 2.548 122.851 120.300 0.006 0.000 2.625 242 Y HA 0.723 5.274 4.550 0.001 0.000 0.338 242 Y C -0.009 175.941 175.900 0.083 0.000 1.123 242 Y CA -1.494 56.653 58.100 0.078 0.000 1.046 242 Y CB 0.496 39.010 38.460 0.090 0.000 1.299 242 Y HN 0.229 nan 8.280 nan 0.000 0.464 243 L N 1.724 123.157 121.223 0.348 0.000 2.179 243 L HA 0.658 4.999 4.340 0.001 0.000 0.208 243 L C 0.335 177.380 176.870 0.291 0.000 1.096 243 L CA 1.437 56.409 54.840 0.220 0.000 0.779 243 L CB -0.454 41.718 42.059 0.188 0.000 0.922 243 L HN 1.081 nan 8.230 nan 0.000 0.443 244 A N -1.081 122.048 122.820 0.514 0.000 2.592 244 A HA 0.389 4.709 4.320 0.001 0.000 0.300 244 A C -0.940 176.715 177.584 0.118 0.000 0.994 244 A CA -0.729 51.525 52.037 0.362 0.000 0.707 244 A CB 0.358 19.428 19.000 0.117 0.000 1.273 244 A HN 0.017 nan 8.150 nan 0.000 0.413 245 R N 1.111 121.553 120.500 -0.096 0.000 2.297 245 R HA 0.633 4.974 4.340 0.001 0.000 0.308 245 R C -0.601 175.539 176.300 -0.267 0.000 1.029 245 R CA 0.020 55.946 56.100 -0.290 0.000 0.929 245 R CB 0.937 30.990 30.300 -0.411 0.000 1.046 245 R HN 1.323 nan 8.270 nan 0.000 0.461 246 V N 2.094 121.787 119.914 -0.368 0.000 2.769 246 V HA 0.628 4.749 4.120 0.001 0.000 0.312 246 V C -2.647 173.189 176.094 -0.431 0.000 1.061 246 V CA -2.946 59.163 62.300 -0.318 0.000 0.931 246 V CB 1.673 33.352 31.823 -0.239 0.000 1.010 246 V HN 0.671 nan 8.190 nan 0.000 0.433 247 P HA 0.228 nan 4.420 nan 0.000 0.270 247 P C 0.112 177.507 177.300 0.160 0.000 1.223 247 P CA 0.091 63.057 63.100 -0.223 0.000 0.785 247 P CB 0.399 31.735 31.700 -0.607 0.000 0.923 248 S N 1.050 117.062 115.700 0.521 0.000 2.596 248 S HA 0.116 4.587 4.470 0.001 0.000 0.260 248 S C 0.215 175.245 174.600 0.716 0.000 1.336 248 S CA -0.388 58.309 58.200 0.828 0.000 0.993 248 S CB -0.171 63.479 63.200 0.751 0.000 0.923 248 S HN 0.390 nan 8.310 nan 0.000 0.567 249 H N -0.367 118.989 119.070 0.477 0.000 2.690 249 H HA 0.423 4.979 4.556 0.001 0.000 0.365 249 H C 0.237 175.647 175.328 0.137 0.000 1.142 249 H CA -0.248 55.944 56.048 0.239 0.000 1.417 249 H CB 0.813 30.655 29.762 0.134 0.000 1.446 249 H HN 0.598 nan 8.280 nan 0.000 0.599 250 V N 0.098 120.054 119.914 0.069 0.000 3.046 250 V HA 0.399 4.520 4.120 0.001 0.000 0.316 250 V C 0.007 176.078 176.094 -0.038 0.000 1.104 250 V CA -1.073 61.187 62.300 -0.068 0.000 1.006 250 V CB 1.833 33.428 31.823 -0.379 0.000 1.058 250 V HN 0.382 nan 8.190 nan 0.000 0.440 251 V N 3.089 122.992 119.914 -0.018 0.000 2.364 251 V HA 0.466 4.587 4.120 0.001 0.000 0.272 251 V C 0.253 176.287 176.094 -0.100 0.000 1.036 251 V CA -0.241 62.050 62.300 -0.014 0.000 0.880 251 V CB 1.195 33.102 31.823 0.141 0.000 0.991 251 V HN 0.924 nan 8.190 nan 0.000 0.460 252 V N 2.881 122.701 119.914 -0.157 0.000 2.617 252 V HA 1.038 5.159 4.120 0.001 0.000 0.298 252 V C 0.122 176.125 176.094 -0.153 0.000 1.048 252 V CA -0.297 61.910 62.300 -0.155 0.000 0.964 252 V CB 1.247 32.977 31.823 -0.154 0.000 1.004 252 V HN 1.049 nan 8.190 nan 0.000 0.466 253 A N 3.883 126.634 122.820 -0.115 0.000 2.583 253 A HA 0.813 5.134 4.320 0.001 0.000 0.289 253 A C -0.371 177.167 177.584 -0.077 0.000 1.151 253 A CA -1.248 50.734 52.037 -0.092 0.000 0.695 253 A CB 1.474 20.439 19.000 -0.059 0.000 1.290 253 A HN 0.876 nan 8.150 nan 0.000 0.419 254 R N 0.450 120.913 120.500 -0.062 0.000 2.490 254 R HA 0.319 4.659 4.340 0.001 0.000 0.278 254 R C 1.392 177.660 176.300 -0.053 0.000 1.069 254 R CA 0.433 56.500 56.100 -0.055 0.000 1.080 254 R CB 0.980 31.252 30.300 -0.045 0.000 1.030 254 R HN 0.898 nan 8.270 nan 0.000 0.491 255 S N 1.029 116.694 115.700 -0.058 0.000 2.382 255 S HA -0.095 4.375 4.470 0.001 0.000 0.228 255 S C 0.986 175.552 174.600 -0.057 0.000 1.027 255 S CA 0.400 58.562 58.200 -0.064 0.000 0.991 255 S CB 0.091 63.244 63.200 -0.078 0.000 0.823 255 S HN 0.368 nan 8.310 nan 0.000 0.469 256 V N 1.859 121.742 119.914 -0.052 0.000 2.487 256 V HA 0.482 4.603 4.120 0.001 0.000 0.298 256 V C -0.936 175.140 176.094 -0.031 0.000 1.028 256 V CA -0.465 61.810 62.300 -0.041 0.000 0.860 256 V CB 1.070 32.868 31.823 -0.042 0.000 0.991 256 V HN 0.418 nan 8.190 nan 0.000 0.427 257 D N 4.048 124.434 120.400 -0.024 0.000 2.689 257 D HA -0.145 4.495 4.640 0.001 0.000 0.237 257 D C 0.899 177.188 176.300 -0.019 0.000 1.148 257 D CA 1.401 55.390 54.000 -0.018 0.000 0.656 257 D CB -0.944 39.847 40.800 -0.015 0.000 1.050 257 D HN 0.982 nan 8.370 nan 0.000 0.426 258 G N 0.236 109.023 108.800 -0.021 0.000 3.377 258 G HA2 0.141 4.102 3.960 0.001 0.000 0.257 258 G HA3 0.141 4.102 3.960 0.001 0.000 0.257 258 G C 0.483 175.376 174.900 -0.011 0.000 1.038 258 G CA 0.195 45.281 45.100 -0.024 0.000 0.809 258 G HN 0.307 nan 8.290 nan 0.000 0.526 259 K N 0.207 120.605 120.400 -0.002 0.000 3.096 259 K HA -0.222 4.099 4.320 0.001 0.000 0.266 259 K C 1.122 177.734 176.600 0.020 0.000 1.043 259 K CA 0.599 56.893 56.287 0.012 0.000 0.758 259 K CB -0.862 31.651 32.500 0.023 0.000 1.260 259 K HN 0.390 nan 8.250 nan 0.000 0.481 260 E N 1.294 121.499 120.200 0.007 0.000 2.055 260 E HA -0.254 4.096 4.350 0.001 0.000 0.209 260 E C 1.477 178.094 176.600 0.028 0.000 1.036 260 E CA 2.278 58.683 56.400 0.009 0.000 0.849 260 E CB -0.178 29.517 29.700 -0.009 0.000 0.767 260 E HN 0.651 nan 8.360 nan 0.000 0.461 261 D N -0.441 119.973 120.400 0.023 0.000 2.312 261 D HA -0.052 4.588 4.640 0.001 0.000 0.211 261 D C 1.631 177.957 176.300 0.044 0.000 0.964 261 D CA 1.022 55.041 54.000 0.031 0.000 0.877 261 D CB -0.347 40.466 40.800 0.021 0.000 0.924 261 D HN 0.114 nan 8.370 nan 0.000 0.515 262 S N -0.700 115.028 115.700 0.046 0.000 2.458 262 S HA 0.122 4.593 4.470 0.001 0.000 0.223 262 S C 1.795 176.445 174.600 0.084 0.000 1.019 262 S CA -0.118 58.114 58.200 0.053 0.000 0.937 262 S CB -0.173 63.052 63.200 0.041 0.000 0.788 262 S HN 0.260 nan 8.310 nan 0.000 0.511 263 I N 0.832 121.464 120.570 0.104 0.000 2.480 263 I HA -0.060 4.111 4.170 0.001 0.000 0.251 263 I C 2.557 178.778 176.117 0.173 0.000 1.124 263 I CA 0.667 62.068 61.300 0.167 0.000 1.444 263 I CB -0.387 37.719 38.000 0.178 0.000 1.098 263 I HN 0.301 nan 8.210 nan 0.000 0.428 264 Q N 0.707 120.583 119.800 0.127 0.000 2.119 264 Q HA -0.172 4.168 4.340 0.001 0.000 0.201 264 Q C 2.006 178.078 176.000 0.120 0.000 0.972 264 Q CA 1.152 57.029 55.803 0.123 0.000 0.847 264 Q CB 0.061 28.851 28.738 0.086 0.000 0.903 264 Q HN 0.390 nan 8.270 nan 0.000 0.433 265 E N 0.488 120.748 120.200 0.099 0.000 2.285 265 E HA -0.101 4.250 4.350 0.001 0.000 0.194 265 E C 1.891 178.550 176.600 0.099 0.000 0.997 265 E CA 0.423 56.876 56.400 0.087 0.000 0.845 265 E CB 0.085 29.823 29.700 0.063 0.000 0.782 265 E HN 0.321 nan 8.360 nan 0.000 0.491 266 L N 0.074 121.365 121.223 0.114 0.000 2.179 266 L HA -0.002 4.338 4.340 0.001 0.000 0.208 266 L C 2.058 179.038 176.870 0.183 0.000 1.096 266 L CA 0.681 55.593 54.840 0.120 0.000 0.779 266 L CB 0.045 42.177 42.059 0.120 0.000 0.922 266 L HN 0.038 nan 8.230 nan 0.000 0.443 267 L N -0.618 120.726 121.223 0.202 0.000 2.341 267 L HA -0.020 4.321 4.340 0.001 0.000 0.214 267 L C 2.658 179.632 176.870 0.172 0.000 1.115 267 L CA 0.084 55.049 54.840 0.207 0.000 0.820 267 L CB -0.530 41.673 42.059 0.240 0.000 0.944 267 L HN 0.286 nan 8.230 nan 0.000 0.452 268 R N 1.134 121.727 120.500 0.155 0.000 2.075 268 R HA -0.134 4.207 4.340 0.001 0.000 0.230 268 R C 2.168 178.559 176.300 0.152 0.000 1.140 268 R CA 2.382 58.566 56.100 0.138 0.000 0.928 268 R CB -0.644 29.724 30.300 0.112 0.000 0.834 268 R HN 0.334 nan 8.270 nan 0.000 0.429 269 V N -1.092 118.917 119.914 0.157 0.000 3.141 269 V HA 0.111 4.232 4.120 0.001 0.000 0.265 269 V C 2.139 178.395 176.094 0.270 0.000 1.126 269 V CA 1.549 63.971 62.300 0.204 0.000 1.141 269 V CB -0.861 31.052 31.823 0.149 0.000 0.743 269 V HN 0.318 nan 8.190 nan 0.000 0.492 270 A N -0.711 122.265 122.820 0.260 0.000 2.169 270 A HA 0.073 4.393 4.320 0.001 0.000 0.212 270 A C 2.163 179.953 177.584 0.344 0.000 1.153 270 A CA 1.108 53.373 52.037 0.380 0.000 0.756 270 A CB -0.205 19.015 19.000 0.366 0.000 0.813 270 A HN 0.637 nan 8.150 nan 0.000 0.471 271 Q N -0.856 119.078 119.800 0.223 0.000 2.304 271 Q HA 0.025 4.365 4.340 0.001 0.000 0.204 271 Q C 1.133 177.217 176.000 0.141 0.000 0.936 271 Q CA 0.555 56.459 55.803 0.168 0.000 0.878 271 Q CB 0.137 28.972 28.738 0.162 0.000 0.983 271 Q HN 0.703 nan 8.270 nan 0.000 0.516 272 E N -0.251 120.029 120.200 0.134 0.000 2.516 272 E HA -0.111 4.240 4.350 0.001 0.000 0.199 272 E C 0.830 177.363 176.600 -0.111 0.000 1.069 272 E CA 0.452 56.874 56.400 0.036 0.000 0.876 272 E CB 0.232 29.963 29.700 0.053 0.000 0.843 272 E HN 0.362 nan 8.360 nan 0.000 0.530 273 H N -2.054 116.941 119.070 -0.126 0.000 2.312 273 H HA 0.116 4.672 4.556 0.001 0.000 0.215 273 H C 0.245 175.142 175.328 -0.720 0.000 0.870 273 H CA 0.367 56.126 56.048 -0.481 0.000 0.982 273 H CB 0.707 30.076 29.762 -0.655 0.000 1.330 273 H HN 0.082 nan 8.280 nan 0.000 0.399 274 F N 1.442 121.500 119.950 0.181 0.000 2.881 274 F HA 0.390 4.918 4.527 0.001 0.000 0.343 274 F C 1.189 176.981 175.800 -0.013 0.000 1.233 274 F CA -0.416 57.643 58.000 0.099 0.000 1.262 274 F CB 0.643 39.770 39.000 0.212 0.000 0.980 274 F HN -0.015 nan 8.300 nan 0.000 0.506 275 G N 0.389 109.256 108.800 0.112 0.000 2.563 275 G HA2 0.316 4.277 3.960 0.001 0.000 0.283 275 G HA3 0.316 4.277 3.960 0.001 0.000 0.283 275 G C -0.209 174.741 174.900 0.083 0.000 1.309 275 G CA -0.818 44.359 45.100 0.129 0.000 1.022 275 G HN 0.106 nan 8.290 nan 0.000 0.501 276 K N 0.663 121.107 120.400 0.074 0.000 2.401 276 K HA 0.097 4.417 4.320 0.001 0.000 0.278 276 K C -0.457 176.137 176.600 -0.011 0.000 1.018 276 K CA 0.051 56.325 56.287 -0.021 0.000 0.981 276 K CB 0.488 32.883 32.500 -0.177 0.000 0.933 276 K HN 0.490 nan 8.250 nan 0.000 0.477 277 D N 1.914 122.303 120.400 -0.018 0.000 2.689 277 D HA -0.184 4.457 4.640 0.001 0.000 0.237 277 D C 0.465 176.762 176.300 -0.005 0.000 1.148 277 D CA 0.992 54.988 54.000 -0.007 0.000 0.656 277 D CB -0.082 40.720 40.800 0.004 0.000 1.050 277 D HN 0.517 nan 8.370 nan 0.000 0.426 278 K N -0.902 119.491 120.400 -0.011 0.000 2.585 278 K HA 0.113 4.434 4.320 0.001 0.000 0.198 278 K C 0.850 177.423 176.600 -0.046 0.000 1.403 278 K CA 0.360 56.628 56.287 -0.032 0.000 1.021 278 K CB 0.968 33.445 32.500 -0.038 0.000 1.558 278 K HN 0.139 nan 8.250 nan 0.000 0.524 279 S N -1.484 114.202 115.700 -0.023 0.000 3.379 279 S HA 0.587 5.057 4.470 0.001 0.000 0.273 279 S C 0.250 174.871 174.600 0.035 0.000 1.027 279 S CA 0.211 58.409 58.200 -0.004 0.000 1.098 279 S CB 1.240 64.436 63.200 -0.008 0.000 1.317 279 S HN 0.103 nan 8.310 nan 0.000 0.715 280 S N -0.138 115.612 115.700 0.083 0.000 3.324 280 S HA 0.232 4.703 4.470 0.001 0.000 0.229 280 S C -1.829 172.840 174.600 0.115 0.000 1.043 280 S CA 0.188 58.430 58.200 0.070 0.000 1.107 280 S CB -1.381 61.845 63.200 0.043 0.000 1.057 280 S HN 0.519 nan 8.310 nan 0.000 0.418 281 P HA -0.115 nan 4.420 nan 0.000 0.214 281 P C 0.107 177.553 177.300 0.242 0.000 1.164 281 P CA 1.328 64.549 63.100 0.201 0.000 0.942 281 P CB 0.090 31.946 31.700 0.260 0.000 0.791 282 F N -0.733 119.319 119.950 0.171 0.000 2.449 282 F HA 0.461 4.988 4.527 0.001 0.000 0.342 282 F C -0.296 175.564 175.800 0.100 0.000 1.127 282 F CA -1.056 56.967 58.000 0.038 0.000 0.975 282 F CB 1.352 40.218 39.000 -0.224 0.000 1.146 282 F HN -0.273 nan 8.300 nan 0.000 0.444 283 Q N 5.456 124.835 119.800 -0.701 0.000 2.368 283 Q HA 0.291 4.632 4.340 0.001 0.000 0.256 283 Q C 0.265 175.667 176.000 -0.996 0.000 0.980 283 Q CA -0.356 55.105 55.803 -0.571 0.000 0.887 283 Q CB 1.533 30.083 28.738 -0.313 0.000 1.221 283 Q HN 0.927 nan 8.270 nan 0.000 0.458 284 L N 3.878 124.593 121.223 -0.846 0.000 2.012 284 L HA 0.032 4.373 4.340 0.001 0.000 0.210 284 L C -0.152 176.077 176.870 -1.069 0.000 1.073 284 L CA 1.716 55.915 54.840 -1.069 0.000 0.748 284 L CB -0.069 41.268 42.059 -1.204 0.000 0.891 284 L HN 0.647 nan 8.230 nan 0.000 0.431 285 F N -0.175 119.531 119.950 -0.406 0.000 2.293 285 F HA 0.622 5.150 4.527 0.001 0.000 0.370 285 F C 0.551 176.196 175.800 -0.258 0.000 1.090 285 F CA -0.478 57.341 58.000 -0.300 0.000 1.133 285 F CB 0.775 39.586 39.000 -0.315 0.000 1.360 285 F HN -0.008 nan 8.300 nan 0.000 0.489 286 G N 1.114 109.854 108.800 -0.101 0.000 1.980 286 G HA2 0.206 4.167 3.960 0.001 0.000 0.198 286 G HA3 0.206 4.167 3.960 0.001 0.000 0.198 286 G C -1.208 173.606 174.900 -0.143 0.000 1.587 286 G CA -1.080 43.946 45.100 -0.124 0.000 0.975 286 G HN 0.368 nan 8.290 nan 0.000 0.682 287 S N 2.872 118.494 115.700 -0.131 0.000 2.489 287 S HA 0.513 4.984 4.470 0.001 0.000 0.277 287 S C -1.033 173.524 174.600 -0.071 0.000 1.230 287 S CA -0.724 57.412 58.200 -0.106 0.000 1.053 287 S CB 1.818 64.927 63.200 -0.152 0.000 0.955 287 S HN 0.520 nan 8.310 nan 0.000 0.488 288 P HA 0.105 nan 4.420 nan 0.000 0.218 288 P C 0.901 178.239 177.300 0.064 0.000 1.151 288 P CA 0.741 63.877 63.100 0.061 0.000 0.850 288 P CB 0.249 32.050 31.700 0.168 0.000 0.801 289 H N -1.333 117.725 119.070 -0.019 0.000 2.300 289 H HA 0.197 4.754 4.556 0.001 0.000 0.312 289 H C 1.498 176.685 175.328 -0.234 0.000 1.057 289 H CA 1.313 57.352 56.048 -0.015 0.000 1.380 289 H CB -0.232 29.686 29.762 0.259 0.000 1.424 289 H HN 0.097 nan 8.280 nan 0.000 0.534 290 G N -0.154 108.590 108.800 -0.094 0.000 3.306 290 G HA2 0.302 4.262 3.960 0.001 0.000 0.202 290 G HA3 0.302 4.262 3.960 0.001 0.000 0.202 290 G C -0.906 173.743 174.900 -0.418 0.000 1.673 290 G CA -0.093 44.879 45.100 -0.214 0.000 0.776 290 G HN 0.183 nan 8.290 nan 0.000 0.740 291 E N -0.780 119.065 120.200 -0.590 0.000 2.352 291 E HA 0.428 4.779 4.350 0.001 0.000 0.280 291 E C -1.486 174.820 176.600 -0.490 0.000 0.930 291 E CA -0.483 55.371 56.400 -0.910 0.000 0.765 291 E CB 1.476 29.816 29.700 -2.266 0.000 1.219 291 E HN 0.299 nan 8.360 nan 0.000 0.434 292 D N 1.773 121.979 120.400 -0.323 0.000 2.746 292 D HA -0.183 4.458 4.640 0.001 0.000 0.236 292 D C -0.704 175.625 176.300 0.048 0.000 1.129 292 D CA 0.791 54.737 54.000 -0.088 0.000 0.691 292 D CB -1.076 39.711 40.800 -0.021 0.000 1.077 292 D HN 0.358 nan 8.370 nan 0.000 0.432 293 L N 0.191 121.424 121.223 0.017 0.000 2.313 293 L HA 0.186 4.527 4.340 0.001 0.000 0.282 293 L C 1.717 178.622 176.870 0.058 0.000 1.092 293 L CA -0.667 54.210 54.840 0.062 0.000 0.831 293 L CB 0.817 42.893 42.059 0.029 0.000 1.159 293 L HN 0.058 nan 8.230 nan 0.000 0.442 294 L N 2.871 124.129 121.223 0.058 0.000 3.447 294 L HA -0.354 3.987 4.340 0.001 0.000 0.337 294 L C -0.234 176.449 176.870 -0.312 0.000 4.145 294 L CA 2.078 56.859 54.840 -0.097 0.000 1.229 294 L CB -1.051 40.864 42.059 -0.240 0.000 3.307 294 L HN 0.432 nan 8.230 nan 0.000 0.751 295 F N -0.553 119.408 119.950 0.017 0.000 2.551 295 F HA 0.534 5.062 4.527 0.001 0.000 0.316 295 F C 0.716 176.555 175.800 0.066 0.000 1.089 295 F CA -0.526 57.518 58.000 0.074 0.000 0.915 295 F CB 1.298 40.335 39.000 0.062 0.000 1.186 295 F HN -0.022 nan 8.300 nan 0.000 0.456 296 T N -1.698 112.994 114.554 0.230 0.000 2.928 296 T HA 0.039 4.389 4.350 0.001 0.000 0.305 296 T C 0.697 175.458 174.700 0.103 0.000 1.035 296 T CA -0.605 61.546 62.100 0.085 0.000 1.145 296 T CB 0.624 69.496 68.868 0.006 0.000 0.963 296 T HN 0.553 nan 8.240 nan 0.000 0.545 297 D N 2.243 122.635 120.400 -0.014 0.000 2.309 297 D HA -0.063 4.577 4.640 0.001 0.000 0.212 297 D C 1.952 178.204 176.300 -0.081 0.000 0.968 297 D CA 1.192 55.162 54.000 -0.050 0.000 0.882 297 D CB -0.186 40.526 40.800 -0.146 0.000 0.918 297 D HN 0.813 nan 8.370 nan 0.000 0.503 298 A N 0.477 123.265 122.820 -0.053 0.000 2.218 298 A HA 0.378 4.699 4.320 0.001 0.000 0.209 298 A C 1.272 178.925 177.584 0.115 0.000 1.168 298 A CA 0.275 52.309 52.037 -0.004 0.000 0.804 298 A CB 0.086 19.038 19.000 -0.080 0.000 0.834 298 A HN 0.188 nan 8.150 nan 0.000 0.482 299 A N -1.157 121.585 122.820 -0.130 0.000 2.287 299 A HA 0.527 4.847 4.320 0.001 0.000 0.273 299 A C 0.485 177.524 177.584 -0.908 0.000 1.091 299 A CA -0.179 51.497 52.037 -0.603 0.000 0.817 299 A CB 0.126 18.620 19.000 -0.843 0.000 1.069 299 A HN 0.456 nan 8.150 nan 0.000 0.492 300 H N -0.747 117.602 119.070 -1.201 0.000 2.750 300 H HA 0.413 4.970 4.556 0.001 0.000 0.263 300 H C 0.975 175.609 175.328 -1.158 0.000 0.964 300 H CA 0.761 56.210 56.048 -0.999 0.000 1.205 300 H CB 0.881 30.353 29.762 -0.483 0.000 1.454 300 H HN 0.943 nan 8.280 nan 0.000 0.503 301 G N -0.760 107.142 108.800 -1.496 0.000 2.490 301 G HA2 0.451 4.412 3.960 0.001 0.000 0.308 301 G HA3 0.451 4.412 3.960 0.001 0.000 0.308 301 G C -2.059 172.683 174.900 -0.263 0.000 1.286 301 G CA -0.805 43.948 45.100 -0.578 0.000 0.825 301 G HN -0.011 nan 8.290 nan 0.000 0.479 302 L N -0.288 121.110 121.223 0.290 0.000 2.401 302 L HA 0.708 5.049 4.340 0.001 0.000 0.266 302 L C -0.550 176.539 176.870 0.365 0.000 0.991 302 L CA -0.365 54.674 54.840 0.332 0.000 0.818 302 L CB 2.108 44.346 42.059 0.299 0.000 1.321 302 L HN 0.472 nan 8.230 nan 0.000 0.413 303 L N 2.264 123.695 121.223 0.347 0.000 2.341 303 L HA 0.590 4.931 4.340 0.001 0.000 0.278 303 L C 0.123 177.171 176.870 0.296 0.000 1.005 303 L CA -0.676 54.334 54.840 0.285 0.000 0.818 303 L CB 1.782 43.981 42.059 0.234 0.000 1.259 303 L HN 0.528 nan 8.230 nan 0.000 0.418 304 R N 2.336 122.967 120.500 0.218 0.000 2.370 304 R HA 0.325 4.665 4.340 0.001 0.000 0.309 304 R C -0.413 175.945 176.300 0.097 0.000 1.059 304 R CA -0.394 55.788 56.100 0.137 0.000 0.981 304 R CB 0.846 31.206 30.300 0.100 0.000 0.972 304 R HN 0.538 nan 8.270 nan 0.000 0.437 305 V N 3.053 122.907 119.914 -0.100 0.000 2.904 305 V HA 0.572 4.693 4.120 0.001 0.000 0.305 305 V C -1.992 173.955 176.094 -0.246 0.000 1.067 305 V CA -1.868 60.174 62.300 -0.429 0.000 1.044 305 V CB 1.106 32.565 31.823 -0.607 0.000 1.050 305 V HN 0.740 nan 8.190 nan 0.000 0.475 306 P HA 0.209 nan 4.420 nan 0.000 0.273 306 P C 0.337 177.561 177.300 -0.127 0.000 1.250 306 P CA -0.379 62.638 63.100 -0.138 0.000 0.793 306 P CB 0.629 32.263 31.700 -0.110 0.000 1.011 307 R N 0.651 121.099 120.500 -0.087 0.000 2.161 307 R HA 0.071 4.411 4.340 0.001 0.000 0.213 307 R C 0.861 177.107 176.300 -0.090 0.000 1.055 307 R CA 0.814 56.865 56.100 -0.082 0.000 0.996 307 R CB -0.336 29.928 30.300 -0.059 0.000 0.901 307 R HN 0.297 nan 8.270 nan 0.000 0.456 308 K N 1.566 121.915 120.400 -0.085 0.000 3.173 308 K HA 0.279 4.599 4.320 0.001 0.000 0.255 308 K C -0.713 175.830 176.600 -0.096 0.000 1.235 308 K CA -0.023 56.213 56.287 -0.084 0.000 1.250 308 K CB 0.171 32.634 32.500 -0.061 0.000 1.382 308 K HN 0.239 nan 8.250 nan 0.000 0.421 309 I N 1.149 121.648 120.570 -0.118 0.000 2.611 309 I HA 0.118 4.289 4.170 0.001 0.000 0.287 309 I C -1.439 174.602 176.117 -0.125 0.000 1.184 309 I CA -0.585 60.646 61.300 -0.116 0.000 1.054 309 I CB 1.193 39.107 38.000 -0.143 0.000 1.257 309 I HN 0.172 nan 8.210 nan 0.000 0.435 310 D N 5.999 126.329 120.400 -0.117 0.000 2.627 310 D HA 0.178 4.818 4.640 0.001 0.000 0.259 310 D C 0.908 177.185 176.300 -0.038 0.000 1.164 310 D CA -0.539 53.394 54.000 -0.112 0.000 1.087 310 D CB 1.025 41.697 40.800 -0.214 0.000 1.217 310 D HN 0.426 nan 8.370 nan 0.000 0.630 311 I N 0.350 120.913 120.570 -0.012 0.000 2.454 311 I HA -0.218 3.953 4.170 0.001 0.000 0.254 311 I C 2.046 178.159 176.117 -0.006 0.000 1.156 311 I CA 1.300 62.594 61.300 -0.009 0.000 1.433 311 I CB -0.390 37.582 38.000 -0.047 0.000 1.082 311 I HN 0.301 nan 8.210 nan 0.000 0.432 312 S N 0.166 115.873 115.700 0.011 0.000 2.348 312 S HA -0.145 4.325 4.470 0.001 0.000 0.221 312 S C 1.828 176.433 174.600 0.008 0.000 1.033 312 S CA 1.488 59.694 58.200 0.010 0.000 1.010 312 S CB -0.413 62.817 63.200 0.049 0.000 0.891 312 S HN 0.340 nan 8.310 nan 0.000 0.442 313 L N -0.082 121.151 121.223 0.017 0.000 2.179 313 L HA 0.088 4.429 4.340 0.001 0.000 0.208 313 L C 2.014 178.925 176.870 0.068 0.000 1.096 313 L CA 1.136 55.998 54.840 0.037 0.000 0.779 313 L CB -0.751 41.321 42.059 0.022 0.000 0.922 313 L HN 0.284 nan 8.230 nan 0.000 0.443 314 Y N 0.138 120.424 120.300 -0.024 0.000 2.070 314 Y HA -0.276 4.275 4.550 0.001 0.000 0.280 314 Y C 2.255 178.163 175.900 0.014 0.000 1.148 314 Y CA 1.819 59.949 58.100 0.049 0.000 1.125 314 Y CB -0.338 38.095 38.460 -0.045 0.000 0.975 314 Y HN 0.039 nan 8.280 nan 0.000 0.492 315 L N -0.716 120.351 121.223 -0.259 0.000 2.027 315 L HA 0.095 4.436 4.340 0.001 0.000 0.206 315 L C 1.283 177.954 176.870 -0.331 0.000 1.074 315 L CA 0.936 55.447 54.840 -0.548 0.000 0.745 315 L CB -1.154 40.439 42.059 -0.776 0.000 0.898 315 L HN 0.498 nan 8.230 nan 0.000 0.433 316 G N -2.558 106.163 108.800 -0.131 0.000 2.440 316 G HA2 -0.237 3.723 3.960 0.001 0.000 0.684 316 G HA3 -0.237 3.723 3.960 0.001 0.000 0.684 316 G C -0.634 174.326 174.900 0.100 0.000 1.309 316 G CA -0.139 44.965 45.100 0.007 0.000 0.931 316 G HN -0.027 nan 8.290 nan 0.000 0.612 317 Y N 0.026 120.342 120.300 0.027 0.000 2.397 317 Y HA 0.209 4.760 4.550 0.001 0.000 0.292 317 Y C 2.644 178.580 175.900 0.061 0.000 1.115 317 Y CA 2.256 60.380 58.100 0.039 0.000 1.208 317 Y CB 0.171 38.647 38.460 0.026 0.000 1.046 317 Y HN 0.695 nan 8.280 nan 0.000 0.552 318 E N -0.701 119.560 120.200 0.102 0.000 2.110 318 E HA -0.222 4.129 4.350 0.001 0.000 0.193 318 E C 1.715 178.309 176.600 -0.011 0.000 0.988 318 E CA 1.320 57.734 56.400 0.023 0.000 0.804 318 E CB -0.335 29.400 29.700 0.058 0.000 0.745 318 E HN 0.462 nan 8.360 nan 0.000 0.458 319 F N 0.653 120.539 119.950 -0.106 0.000 2.367 319 F HA -0.001 4.527 4.527 0.001 0.000 0.298 319 F C 1.731 177.466 175.800 -0.108 0.000 1.094 319 F CA 0.858 58.798 58.000 -0.099 0.000 1.409 319 F CB 0.201 39.127 39.000 -0.122 0.000 1.064 319 F HN -0.089 nan 8.300 nan 0.000 0.528 320 L N -0.900 120.382 121.223 0.098 0.000 2.307 320 L HA -0.054 4.287 4.340 0.001 0.000 0.211 320 L C 2.509 179.311 176.870 -0.114 0.000 1.099 320 L CA 0.880 55.715 54.840 -0.008 0.000 0.816 320 L CB -0.602 41.407 42.059 -0.083 0.000 0.952 320 L HN 0.134 nan 8.230 nan 0.000 0.455 321 S N 0.576 116.081 115.700 -0.326 0.000 2.345 321 S HA -0.120 4.351 4.470 0.001 0.000 0.220 321 S C 2.080 176.599 174.600 -0.136 0.000 1.031 321 S CA 0.757 58.746 58.200 -0.351 0.000 0.996 321 S CB -0.539 62.389 63.200 -0.455 0.000 0.882 321 S HN 0.284 nan 8.310 nan 0.000 0.445 322 A N -0.052 122.704 122.820 -0.107 0.000 2.248 322 A HA 0.239 4.559 4.320 0.001 0.000 0.210 322 A C 1.689 179.259 177.584 -0.023 0.000 1.174 322 A CA 0.678 52.663 52.037 -0.087 0.000 0.750 322 A CB -0.875 18.043 19.000 -0.136 0.000 0.780 322 A HN 0.605 nan 8.150 nan 0.000 0.478 323 F N -0.464 119.411 119.950 -0.126 0.000 2.582 323 F HA 0.147 4.675 4.527 0.001 0.000 0.290 323 F C 1.927 177.692 175.800 -0.059 0.000 1.115 323 F CA 0.416 58.354 58.000 -0.103 0.000 1.445 323 F CB 0.319 39.239 39.000 -0.134 0.000 1.126 323 F HN 0.017 nan 8.300 nan 0.000 0.574 324 R N 0.640 121.185 120.500 0.074 0.000 2.313 324 R HA 0.093 4.434 4.340 0.001 0.000 0.199 324 R C 0.682 176.949 176.300 -0.054 0.000 0.958 324 R CA 0.369 56.480 56.100 0.018 0.000 1.047 324 R CB -0.832 29.484 30.300 0.026 0.000 0.955 324 R HN 0.383 nan 8.270 nan 0.000 0.481 325 N N -0.290 118.361 118.700 -0.083 0.000 2.368 325 N HA 0.024 4.765 4.740 0.001 0.000 0.178 325 N C 1.045 176.483 175.510 -0.120 0.000 1.076 325 N CA 0.350 53.346 53.050 -0.091 0.000 0.889 325 N CB 0.410 38.845 38.487 -0.088 0.000 1.040 325 N HN 0.078 nan 8.380 nan 0.000 0.463 326 L N -0.097 121.031 121.223 -0.158 0.000 2.664 326 L HA 0.281 4.622 4.340 0.001 0.000 0.233 326 L C 1.766 178.533 176.870 -0.171 0.000 1.113 326 L CA 0.617 55.354 54.840 -0.171 0.000 0.896 326 L CB 0.389 42.352 42.059 -0.161 0.000 1.163 326 L HN -0.115 nan 8.230 nan 0.000 0.497 327 K N -1.047 119.193 120.400 -0.268 0.000 2.511 327 K HA 0.234 4.555 4.320 0.001 0.000 0.206 327 K C 0.874 177.404 176.600 -0.116 0.000 1.333 327 K CA -0.032 56.107 56.287 -0.248 0.000 0.957 327 K CB 1.246 33.343 32.500 -0.670 0.000 1.172 327 K HN 0.015 nan 8.250 nan 0.000 0.547 334 Q N 3.085 122.720 119.800 -0.276 0.000 3.004 334 Q HA 0.292 4.632 4.340 0.001 0.000 0.256 334 Q C 0.253 176.028 176.000 -0.376 0.000 1.387 334 Q CA 0.079 55.529 55.803 -0.590 0.000 0.962 334 Q CB -0.179 28.291 28.738 -0.447 0.000 1.676 334 Q HN 0.506 nan 8.270 nan 0.000 0.568 335 R N -2.070 118.278 120.500 -0.253 0.000 2.734 335 R HA 0.646 4.986 4.340 0.001 0.000 0.271 335 R C -1.517 174.858 176.300 0.126 0.000 1.021 335 R CA -0.940 55.195 56.100 0.059 0.000 0.893 335 R CB 1.135 31.442 30.300 0.012 0.000 1.244 335 R HN -0.003 nan 8.270 nan 0.000 0.464 336 V N 1.671 121.702 119.914 0.196 0.000 2.326 336 V HA 0.333 4.454 4.120 0.001 0.000 0.281 336 V C -0.374 175.788 176.094 0.114 0.000 1.015 336 V CA -0.645 61.765 62.300 0.182 0.000 0.823 336 V CB 1.284 33.259 31.823 0.253 0.000 1.009 336 V HN 0.700 nan 8.190 nan 0.000 0.436 337 K N 5.824 126.267 120.400 0.072 0.000 2.206 337 K HA 0.139 4.459 4.320 0.001 0.000 0.268 337 K C -0.050 176.597 176.600 0.078 0.000 1.111 337 K CA -0.524 55.798 56.287 0.057 0.000 0.955 337 K CB 0.376 32.886 32.500 0.018 0.000 1.406 337 K HN 0.730 nan 8.250 nan 0.000 0.427 338 W N 4.908 126.183 121.300 -0.041 0.000 2.223 338 W HA 0.003 4.664 4.660 0.001 0.000 0.334 338 W C -0.361 176.152 176.519 -0.010 0.000 1.334 338 W CA -0.473 56.868 57.345 -0.007 0.000 1.246 338 W CB 0.769 30.242 29.460 0.021 0.000 1.184 338 W HN 0.483 nan 8.180 nan 0.000 0.563 339 c N 6.404 124.830 118.600 -0.291 0.000 2.347 339 c HA 0.677 5.248 4.570 0.001 0.000 0.353 339 c C 0.381 174.482 174.090 0.019 0.000 1.273 339 c CA -0.369 55.882 56.329 -0.131 0.000 1.861 339 c CB -0.827 41.552 42.510 -0.219 0.000 2.420 339 c HN 0.581 nan 8.230 nan 0.000 0.542 340 A N 5.199 128.068 122.820 0.082 0.000 2.304 340 A HA 0.642 4.962 4.320 0.001 0.000 0.323 340 A C -0.517 177.083 177.584 0.025 0.000 1.195 340 A CA -0.335 51.765 52.037 0.104 0.000 0.826 340 A CB 0.802 19.870 19.000 0.114 0.000 1.184 340 A HN 0.788 nan 8.150 nan 0.000 0.496 341 V N 3.377 123.300 119.914 0.015 0.000 2.284 341 V HA 0.598 4.718 4.120 0.001 0.000 0.260 341 V C 0.941 177.020 176.094 -0.025 0.000 1.084 341 V CA 1.081 63.363 62.300 -0.030 0.000 0.894 341 V CB -0.799 30.994 31.823 -0.050 0.000 1.119 341 V HN 1.853 nan 8.190 nan 0.000 0.484 342 G N 4.457 113.242 108.800 -0.026 0.000 2.466 342 G HA2 -0.123 3.838 3.960 0.001 0.000 0.316 342 G HA3 -0.123 3.838 3.960 0.001 0.000 0.316 342 G C -0.038 174.866 174.900 0.006 0.000 1.270 342 G CA 0.284 45.371 45.100 -0.022 0.000 0.982 342 G HN 0.485 nan 8.290 nan 0.000 0.506 343 Q N -0.868 118.941 119.800 0.014 0.000 2.226 343 Q HA 0.221 4.562 4.340 0.001 0.000 0.199 343 Q C 2.752 178.772 176.000 0.033 0.000 0.945 343 Q CA 2.180 57.997 55.803 0.023 0.000 0.861 343 Q CB -0.259 28.493 28.738 0.023 0.000 0.953 343 Q HN 0.652 nan 8.270 nan 0.000 0.490 344 Q N 0.191 120.014 119.800 0.039 0.000 2.152 344 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 344 Q C 1.786 177.822 176.000 0.060 0.000 0.985 344 Q CA 1.492 57.326 55.803 0.052 0.000 0.863 344 Q CB -0.022 28.753 28.738 0.062 0.000 0.904 344 Q HN 0.501 nan 8.270 nan 0.000 0.422 345 E N 0.363 120.598 120.200 0.058 0.000 2.072 345 E HA -0.183 4.168 4.350 0.001 0.000 0.191 345 E C 2.045 178.690 176.600 0.075 0.000 0.985 345 E CA 0.706 57.148 56.400 0.071 0.000 0.801 345 E CB -0.062 29.681 29.700 0.072 0.000 0.750 345 E HN 0.069 nan 8.360 nan 0.000 0.452 346 R N 1.044 121.580 120.500 0.060 0.000 2.120 346 R HA -0.081 4.259 4.340 0.001 0.000 0.234 346 R C 2.064 178.386 176.300 0.037 0.000 1.123 346 R CA 1.748 57.880 56.100 0.054 0.000 0.975 346 R CB -0.846 29.476 30.300 0.036 0.000 0.866 346 R HN 0.049 nan 8.270 nan 0.000 0.446 347 T N 0.299 114.873 114.554 0.034 0.000 2.777 347 T HA -0.105 4.245 4.350 0.001 0.000 0.266 347 T C 1.610 176.317 174.700 0.013 0.000 1.040 347 T CA 1.554 63.667 62.100 0.021 0.000 1.141 347 T CB -0.190 68.697 68.868 0.031 0.000 0.868 347 T HN 0.328 nan 8.240 nan 0.000 0.444 348 K N 0.230 120.660 120.400 0.049 0.000 2.211 348 K HA -0.059 4.262 4.320 0.001 0.000 0.203 348 K C 2.537 179.152 176.600 0.025 0.000 1.050 348 K CA 0.882 57.211 56.287 0.070 0.000 0.945 348 K CB -0.400 32.191 32.500 0.152 0.000 0.732 348 K HN 0.361 nan 8.250 nan 0.000 0.451 349 c N 1.288 119.920 118.600 0.052 0.000 2.457 349 c HA -0.046 4.525 4.570 0.001 0.000 0.278 349 c C 2.011 176.085 174.090 -0.027 0.000 1.309 349 c CA 0.712 57.083 56.329 0.070 0.000 1.735 349 c CB -0.691 41.880 42.510 0.101 0.000 1.992 349 c HN 0.518 nan 8.230 nan 0.000 0.493 350 D N 0.251 120.624 120.400 -0.046 0.000 2.097 350 D HA -0.158 4.482 4.640 0.001 0.000 0.195 350 D C 2.285 178.496 176.300 -0.148 0.000 0.989 350 D CA 1.434 55.387 54.000 -0.078 0.000 0.827 350 D CB -0.580 40.190 40.800 -0.049 0.000 0.966 350 D HN 0.685 nan 8.370 nan 0.000 0.456 351 Q N -0.671 119.002 119.800 -0.210 0.000 2.096 351 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 351 Q C 2.070 177.731 176.000 -0.565 0.000 0.982 351 Q CA 1.121 56.699 55.803 -0.376 0.000 0.850 351 Q CB -0.177 28.265 28.738 -0.495 0.000 0.901 351 Q HN 0.377 nan 8.270 nan 0.000 0.422 352 W N 0.817 121.606 121.300 -0.850 0.000 2.476 352 W HA 0.002 4.662 4.660 0.001 0.000 0.281 352 W C 2.431 178.691 176.519 -0.432 0.000 1.230 352 W CA 0.916 57.789 57.345 -0.786 0.000 1.287 352 W CB -0.466 28.676 29.460 -0.530 0.000 1.108 352 W HN -0.001 nan 8.180 nan 0.000 0.567 353 S N 0.210 115.725 115.700 -0.309 0.000 2.399 353 S HA -0.146 4.325 4.470 0.001 0.000 0.231 353 S C 2.017 176.480 174.600 -0.229 0.000 1.022 353 S CA 1.853 59.863 58.200 -0.316 0.000 0.983 353 S CB -0.524 62.561 63.200 -0.192 0.000 0.803 353 S HN 0.220 nan 8.310 nan 0.000 0.480 354 A N 1.090 123.806 122.820 -0.173 0.000 1.872 354 A HA 0.060 4.380 4.320 0.001 0.000 0.214 354 A C 2.418 179.969 177.584 -0.055 0.000 1.187 354 A CA 1.587 53.565 52.037 -0.098 0.000 0.614 354 A CB -1.097 17.857 19.000 -0.076 0.000 0.826 354 A HN 0.907 nan 8.150 nan 0.000 0.442 355 V N -0.791 119.092 119.914 -0.053 0.000 2.548 355 V HA -0.171 3.949 4.120 0.001 0.000 0.249 355 V C 2.406 178.592 176.094 0.152 0.000 1.055 355 V CA 2.251 64.613 62.300 0.103 0.000 1.065 355 V CB -1.537 30.408 31.823 0.202 0.000 0.681 355 V HN 0.659 nan 8.190 nan 0.000 0.462 356 S N 1.434 117.075 115.700 -0.099 0.000 2.392 356 S HA -0.004 4.467 4.470 0.001 0.000 0.232 356 S C 1.853 176.475 174.600 0.037 0.000 1.041 356 S CA 1.492 59.626 58.200 -0.110 0.000 1.026 356 S CB -1.149 61.767 63.200 -0.473 0.000 0.845 356 S HN 2.157 nan 8.310 nan 0.000 0.465 357 G N 0.138 108.943 108.800 0.008 0.000 2.207 357 G HA2 0.305 4.265 3.960 0.001 0.000 0.216 357 G HA3 0.305 4.265 3.960 0.001 0.000 0.216 357 G C 1.010 175.908 174.900 -0.003 0.000 1.053 357 G CA 0.396 45.513 45.100 0.028 0.000 0.764 357 G HN 1.761 nan 8.290 nan 0.000 0.495 358 G N -1.282 107.492 108.800 -0.044 0.000 2.189 358 G HA2 0.055 4.016 3.960 0.001 0.000 0.267 358 G HA3 0.055 4.016 3.960 0.001 0.000 0.267 358 G C 1.392 176.268 174.900 -0.040 0.000 0.975 358 G CA 1.404 46.478 45.100 -0.044 0.000 0.644 358 G HN 2.234 nan 8.290 nan 0.000 0.537 359 A N -0.896 121.897 122.820 -0.045 0.000 2.276 359 A HA 0.689 5.010 4.320 0.001 0.000 0.212 359 A C 0.576 178.121 177.584 -0.066 0.000 1.230 359 A CA 1.237 53.272 52.037 -0.005 0.000 0.844 359 A CB 0.101 19.116 19.000 0.025 0.000 0.860 359 A HN 1.344 nan 8.150 nan 0.000 0.486 360 L N -0.864 120.258 121.223 -0.168 0.000 2.470 360 L HA 0.748 5.088 4.340 0.001 0.000 0.268 360 L C -0.347 176.412 176.870 -0.185 0.000 0.964 360 L CA -0.161 54.526 54.840 -0.254 0.000 0.839 360 L CB 1.721 43.398 42.059 -0.636 0.000 1.276 360 L HN 0.120 nan 8.230 nan 0.000 0.403 361 A N 3.309 126.076 122.820 -0.088 0.000 2.309 361 A HA 0.901 5.222 4.320 0.001 0.000 0.317 361 A C -1.129 176.450 177.584 -0.008 0.000 1.134 361 A CA -0.510 51.498 52.037 -0.049 0.000 0.866 361 A CB 1.354 20.343 19.000 -0.018 0.000 1.329 361 A HN 0.758 nan 8.150 nan 0.000 0.477 362 c N 0.162 118.765 118.600 0.005 0.000 2.482 362 c HA 0.819 5.390 4.570 0.001 0.000 0.317 362 c C 0.295 174.405 174.090 0.034 0.000 1.197 362 c CA -0.442 55.913 56.329 0.044 0.000 1.432 362 c CB 0.498 43.026 42.510 0.030 0.000 2.062 362 c HN 1.078 nan 8.230 nan 0.000 0.471 363 A N 1.744 124.591 122.820 0.045 0.000 2.330 363 A HA 0.792 5.112 4.320 0.001 0.000 0.313 363 A C -0.310 177.287 177.584 0.022 0.000 1.124 363 A CA -0.187 51.862 52.037 0.020 0.000 0.774 363 A CB 1.133 20.134 19.000 0.001 0.000 1.198 363 A HN 0.833 nan 8.150 nan 0.000 0.465 364 T N 2.374 116.936 114.554 0.014 0.000 2.788 364 T HA 0.488 4.839 4.350 0.001 0.000 0.296 364 T C -0.549 174.147 174.700 -0.006 0.000 1.009 364 T CA -0.383 61.723 62.100 0.011 0.000 0.949 364 T CB 0.087 68.965 68.868 0.016 0.000 0.946 364 T HN 0.643 nan 8.240 nan 0.000 0.453 365 E N 3.148 123.336 120.200 -0.020 0.000 2.243 365 E HA 0.359 4.710 4.350 0.001 0.000 0.260 365 E C 0.526 177.099 176.600 -0.045 0.000 0.985 365 E CA -0.808 55.571 56.400 -0.036 0.000 0.858 365 E CB 1.354 31.021 29.700 -0.054 0.000 1.210 365 E HN 0.616 nan 8.360 nan 0.000 0.411 366 E N 0.175 120.344 120.200 -0.052 0.000 2.190 366 E HA 0.009 4.359 4.350 0.001 0.000 0.191 366 E C 0.936 177.481 176.600 -0.092 0.000 0.978 366 E CA 0.775 57.139 56.400 -0.061 0.000 0.839 366 E CB 0.074 29.746 29.700 -0.046 0.000 0.787 366 E HN 0.628 nan 8.360 nan 0.000 0.473 367 T N -2.951 111.539 114.554 -0.106 0.000 2.864 367 T HA 0.418 4.769 4.350 0.001 0.000 0.289 367 T C -2.455 172.117 174.700 -0.213 0.000 1.082 367 T CA -2.029 59.982 62.100 -0.147 0.000 1.009 367 T CB 2.338 71.136 68.868 -0.116 0.000 1.234 367 T HN -0.354 nan 8.240 nan 0.000 0.526 368 P HA 0.089 nan 4.420 nan 0.000 0.225 368 P C 1.356 178.427 177.300 -0.382 0.000 1.156 368 P CA 0.557 63.327 63.100 -0.550 0.000 0.787 368 P CB 0.209 31.108 31.700 -1.336 0.000 0.802 369 E N 0.080 120.130 120.200 -0.249 0.000 2.047 369 E HA -0.161 4.190 4.350 0.001 0.000 0.191 369 E C 1.447 177.994 176.600 -0.090 0.000 0.987 369 E CA 1.322 57.673 56.400 -0.081 0.000 0.799 369 E CB -0.697 28.998 29.700 -0.009 0.000 0.752 369 E HN 0.275 nan 8.360 nan 0.000 0.449 370 D N 0.187 120.526 120.400 -0.100 0.000 2.149 370 D HA -0.138 4.503 4.640 0.001 0.000 0.198 370 D C 1.881 178.126 176.300 -0.093 0.000 0.990 370 D CA 0.794 54.742 54.000 -0.086 0.000 0.839 370 D CB -0.256 40.496 40.800 -0.079 0.000 0.948 370 D HN 0.132 nan 8.370 nan 0.000 0.460 371 c N -0.159 118.368 118.600 -0.121 0.000 2.468 371 c HA 0.102 4.672 4.570 0.001 0.000 0.277 371 c C 2.518 176.530 174.090 -0.129 0.000 1.400 371 c CA -0.086 56.166 56.329 -0.127 0.000 1.770 371 c CB -0.867 41.552 42.510 -0.151 0.000 1.905 371 c HN 0.337 nan 8.230 nan 0.000 0.519 372 I N 0.711 121.208 120.570 -0.122 0.000 2.406 372 I HA -0.070 4.100 4.170 0.001 0.000 0.249 372 I C 2.693 178.759 176.117 -0.084 0.000 1.122 372 I CA 1.299 62.535 61.300 -0.106 0.000 1.431 372 I CB -0.461 37.486 38.000 -0.088 0.000 1.087 372 I HN 0.216 nan 8.210 nan 0.000 0.424 373 A N 0.910 123.687 122.820 -0.072 0.000 1.930 373 A HA -0.084 4.237 4.320 0.001 0.000 0.217 373 A C 2.533 180.085 177.584 -0.054 0.000 1.175 373 A CA 1.655 53.657 52.037 -0.058 0.000 0.627 373 A CB -0.697 18.268 19.000 -0.058 0.000 0.815 373 A HN 0.395 nan 8.150 nan 0.000 0.443 374 A N -0.982 121.802 122.820 -0.060 0.000 1.933 374 A HA -0.067 4.254 4.320 0.001 0.000 0.218 374 A C 2.237 179.787 177.584 -0.056 0.000 1.175 374 A CA 2.178 54.187 52.037 -0.047 0.000 0.628 374 A CB -1.103 17.866 19.000 -0.052 0.000 0.814 374 A HN 0.411 nan 8.150 nan 0.000 0.444 375 T N -0.093 114.408 114.554 -0.089 0.000 2.951 375 T HA -0.021 4.329 4.350 0.001 0.000 0.268 375 T C 1.835 176.450 174.700 -0.143 0.000 1.073 375 T CA 1.433 63.462 62.100 -0.117 0.000 1.134 375 T CB -0.249 68.537 68.868 -0.136 0.000 0.884 375 T HN 0.447 nan 8.240 nan 0.000 0.479 376 M N 0.573 120.108 119.600 -0.108 0.000 2.156 376 M HA -0.007 4.474 4.480 0.001 0.000 0.264 376 M C 2.274 178.540 176.300 -0.057 0.000 1.067 376 M CA 1.492 56.725 55.300 -0.113 0.000 1.131 376 M CB -0.239 32.334 32.600 -0.046 0.000 1.368 376 M HN 0.117 nan 8.290 nan 0.000 0.416 377 K N -0.326 120.087 120.400 0.023 0.000 2.001 377 K HA -0.004 4.316 4.320 0.001 0.000 0.208 377 K C 1.348 178.070 176.600 0.204 0.000 1.048 377 K CA 1.384 57.751 56.287 0.133 0.000 0.932 377 K CB -0.117 32.434 32.500 0.084 0.000 0.715 377 K HN 0.525 nan 8.250 nan 0.000 0.437 378 G N 0.419 109.266 108.800 0.078 0.000 2.321 378 G HA2 -0.138 3.822 3.960 0.001 0.000 0.174 378 G HA3 -0.138 3.822 3.960 0.001 0.000 0.174 378 G C 0.447 175.376 174.900 0.048 0.000 1.008 378 G CA -0.068 45.087 45.100 0.091 0.000 0.739 378 G HN 0.225 nan 8.290 nan 0.000 0.502 379 E N 0.009 120.226 120.200 0.029 0.000 2.107 379 E HA 0.330 4.681 4.350 0.001 0.000 0.191 379 E C 1.499 178.094 176.600 -0.008 0.000 0.982 379 E CA 1.064 57.475 56.400 0.017 0.000 0.809 379 E CB 0.210 29.921 29.700 0.019 0.000 0.756 379 E HN 0.689 nan 8.360 nan 0.000 0.459 380 A N 0.121 122.919 122.820 -0.037 0.000 2.387 380 A HA 0.346 4.667 4.320 0.001 0.000 0.303 380 A C -0.324 177.210 177.584 -0.084 0.000 1.145 380 A CA -0.690 51.308 52.037 -0.065 0.000 0.801 380 A CB 1.371 20.310 19.000 -0.102 0.000 1.342 380 A HN -0.107 nan 8.150 nan 0.000 0.440 381 D N -0.842 119.497 120.400 -0.102 0.000 2.531 381 D HA 0.440 5.080 4.640 0.001 0.000 0.263 381 D C 0.407 176.610 176.300 -0.160 0.000 1.057 381 D CA 1.461 55.404 54.000 -0.095 0.000 0.909 381 D CB 1.066 41.854 40.800 -0.020 0.000 1.236 381 D HN 0.795 nan 8.370 nan 0.000 0.494 382 A N 0.408 123.044 122.820 -0.306 0.000 2.610 382 A HA 0.796 5.117 4.320 0.001 0.000 0.291 382 A C -1.447 175.481 177.584 -1.093 0.000 1.086 382 A CA -0.628 51.099 52.037 -0.518 0.000 0.677 382 A CB 1.640 20.395 19.000 -0.407 0.000 1.278 382 A HN 0.088 nan 8.150 nan 0.000 0.414 383 M N -0.920 118.079 119.600 -1.001 0.000 2.755 383 M HA 0.580 5.060 4.480 0.001 0.000 0.276 383 M C -0.722 175.430 176.300 -0.248 0.000 1.129 383 M CA -0.406 54.314 55.300 -0.967 0.000 0.832 383 M CB 1.555 33.830 32.600 -0.542 0.000 1.700 383 M HN 0.701 nan 8.290 nan 0.000 0.518 384 S N 1.711 117.459 115.700 0.080 0.000 2.465 384 S HA 0.680 5.151 4.470 0.001 0.000 0.279 384 S C -0.891 173.829 174.600 0.200 0.000 1.201 384 S CA -0.612 57.758 58.200 0.282 0.000 1.053 384 S CB 0.020 63.446 63.200 0.376 0.000 0.953 384 S HN 0.583 nan 8.310 nan 0.000 0.488 385 L N 4.328 125.702 121.223 0.252 0.000 2.296 385 L HA 0.411 4.751 4.340 0.001 0.000 0.286 385 L C 0.347 177.388 176.870 0.286 0.000 1.023 385 L CA -0.974 53.980 54.840 0.189 0.000 0.812 385 L CB 1.582 43.634 42.059 -0.012 0.000 1.223 385 L HN 0.637 nan 8.230 nan 0.000 0.421 386 D N 2.222 122.825 120.400 0.338 0.000 2.341 386 D HA -0.020 4.621 4.640 0.001 0.000 0.235 386 D C 1.387 177.866 176.300 0.297 0.000 1.265 386 D CA 0.890 55.106 54.000 0.361 0.000 0.888 386 D CB 1.152 42.202 40.800 0.418 0.000 1.192 386 D HN 0.591 nan 8.370 nan 0.000 0.462 387 G N 0.282 109.216 108.800 0.224 0.000 2.442 387 G HA2 -0.187 3.774 3.960 0.001 0.000 0.219 387 G HA3 -0.187 3.774 3.960 0.001 0.000 0.219 387 G C 1.355 176.352 174.900 0.161 0.000 1.141 387 G CA 0.794 45.946 45.100 0.088 0.000 0.763 387 G HN 0.593 nan 8.290 nan 0.000 0.554 388 G N -0.171 108.704 108.800 0.126 0.000 2.448 388 G HA2 0.019 3.979 3.960 0.001 0.000 0.218 388 G HA3 0.019 3.979 3.960 0.001 0.000 0.218 388 G C 1.431 176.287 174.900 -0.073 0.000 1.135 388 G CA 0.190 45.324 45.100 0.057 0.000 0.784 388 G HN 0.411 nan 8.290 nan 0.000 0.543 389 F N 0.882 120.907 119.950 0.125 0.000 2.743 389 F HA 0.327 4.854 4.527 0.001 0.000 0.297 389 F C 2.646 178.362 175.800 -0.140 0.000 1.131 389 F CA 0.327 58.341 58.000 0.023 0.000 1.426 389 F CB 0.473 39.471 39.000 -0.002 0.000 1.116 389 F HN 0.201 nan 8.300 nan 0.000 0.583 390 A N -1.068 121.739 122.820 -0.022 0.000 2.072 390 A HA -0.140 4.180 4.320 0.001 0.000 0.216 390 A C 1.769 179.236 177.584 -0.194 0.000 1.156 390 A CA 0.727 52.495 52.037 -0.449 0.000 0.701 390 A CB -0.847 18.068 19.000 -0.142 0.000 0.816 390 A HN 0.494 nan 8.150 nan 0.000 0.458 391 Y N 0.325 120.607 120.300 -0.030 0.000 2.206 391 Y HA -0.082 4.468 4.550 0.001 0.000 0.292 391 Y C 2.217 178.046 175.900 -0.118 0.000 1.123 391 Y CA 1.774 59.892 58.100 0.031 0.000 1.142 391 Y CB -0.248 38.335 38.460 0.206 0.000 1.006 391 Y HN 0.049 nan 8.280 nan 0.000 0.518 392 V N 0.936 120.890 119.914 0.066 0.000 2.220 392 V HA -0.361 3.759 4.120 0.001 0.000 0.246 392 V C 2.722 178.711 176.094 -0.175 0.000 1.049 392 V CA 2.181 64.493 62.300 0.020 0.000 1.003 392 V CB -1.791 30.106 31.823 0.123 0.000 0.634 392 V HN 0.539 nan 8.190 nan 0.000 0.444 393 A N 0.455 123.144 122.820 -0.217 0.000 2.042 393 A HA -0.182 4.138 4.320 0.001 0.000 0.222 393 A C 2.337 179.689 177.584 -0.387 0.000 1.167 393 A CA 2.218 54.075 52.037 -0.299 0.000 0.649 393 A CB -1.215 17.504 19.000 -0.468 0.000 0.809 393 A HN 0.599 nan 8.150 nan 0.000 0.457 394 G N -1.669 106.702 108.800 -0.714 0.000 2.404 394 G HA2 -0.197 3.764 3.960 0.001 0.000 0.214 394 G HA3 -0.197 3.764 3.960 0.001 0.000 0.214 394 G C 1.389 175.681 174.900 -1.013 0.000 1.189 394 G CA 0.852 45.199 45.100 -1.254 0.000 0.789 394 G HN 0.683 nan 8.290 nan 0.000 0.533 395 H N -0.345 118.230 119.070 -0.824 0.000 2.543 395 H HA -0.031 4.526 4.556 0.001 0.000 0.286 395 H C 1.993 177.206 175.328 -0.191 0.000 1.037 395 H CA 0.848 56.663 56.048 -0.387 0.000 1.250 395 H CB -0.119 29.437 29.762 -0.345 0.000 1.373 395 H HN 0.310 nan 8.280 nan 0.000 0.580 396 c N -0.489 118.045 118.600 -0.109 0.000 2.791 396 c HA 0.308 4.878 4.570 0.001 0.000 0.270 396 c C 1.913 175.987 174.090 -0.026 0.000 1.257 396 c CA 0.547 56.852 56.329 -0.041 0.000 1.699 396 c CB -0.320 42.156 42.510 -0.056 0.000 1.904 396 c HN 0.796 nan 8.230 nan 0.000 0.603 397 G N 0.730 109.505 108.800 -0.040 0.000 2.157 397 G HA2 -0.195 3.766 3.960 0.001 0.000 0.239 397 G HA3 -0.195 3.766 3.960 0.001 0.000 0.239 397 G C -0.072 174.840 174.900 0.019 0.000 0.982 397 G CA -0.259 44.849 45.100 0.013 0.000 0.650 397 G HN 0.493 nan 8.290 nan 0.000 0.527 398 L N 1.026 122.264 121.223 0.024 0.000 2.334 398 L HA 0.704 5.044 4.340 0.001 0.000 0.277 398 L C 1.059 178.071 176.870 0.238 0.000 1.075 398 L CA -1.140 53.763 54.840 0.106 0.000 0.804 398 L CB 1.499 43.640 42.059 0.138 0.000 1.174 398 L HN 0.199 nan 8.230 nan 0.000 0.438 399 V N 0.506 120.484 119.914 0.106 0.000 2.994 399 V HA 0.651 4.771 4.120 0.001 0.000 0.318 399 V C -2.597 173.205 176.094 -0.487 0.000 1.085 399 V CA -2.711 59.573 62.300 -0.026 0.000 0.998 399 V CB 1.331 33.138 31.823 -0.027 0.000 1.063 399 V HN 0.518 nan 8.190 nan 0.000 0.447 400 P HA 0.368 nan 4.420 nan 0.000 0.275 400 P C 0.266 177.239 177.300 -0.544 0.000 1.228 400 P CA -0.073 62.384 63.100 -1.071 0.000 0.786 400 P CB 1.294 32.481 31.700 -0.856 0.000 0.927 401 V N 2.104 121.738 119.914 -0.466 0.000 2.854 401 V HA 0.259 4.380 4.120 0.001 0.000 0.236 401 V C 0.656 176.635 176.094 -0.193 0.000 1.157 401 V CA 0.737 62.890 62.300 -0.245 0.000 1.187 401 V CB -0.197 31.529 31.823 -0.162 0.000 0.949 401 V HN 0.365 nan 8.190 nan 0.000 0.488 402 L N -0.790 120.328 121.223 -0.175 0.000 2.506 402 L HA 0.741 5.081 4.340 0.001 0.000 0.257 402 L C -0.494 176.339 176.870 -0.062 0.000 0.964 402 L CA -0.508 54.276 54.840 -0.093 0.000 0.836 402 L CB 2.160 44.178 42.059 -0.069 0.000 1.384 402 L HN 0.211 nan 8.230 nan 0.000 0.410 403 A N 1.359 124.176 122.820 -0.004 0.000 2.249 403 A HA 0.575 4.896 4.320 0.001 0.000 0.281 403 A C -0.517 177.087 177.584 0.033 0.000 1.127 403 A CA -0.135 51.938 52.037 0.061 0.000 0.833 403 A CB 0.903 19.990 19.000 0.144 0.000 1.140 403 A HN 0.748 nan 8.150 nan 0.000 0.502 404 E N 0.215 120.421 120.200 0.010 0.000 2.265 404 E HA 0.284 4.634 4.350 0.001 0.000 0.262 404 E C -1.379 175.015 176.600 -0.344 0.000 0.889 404 E CA -0.338 55.986 56.400 -0.127 0.000 0.789 404 E CB 0.895 30.595 29.700 0.000 0.000 1.221 404 E HN 0.740 nan 8.360 nan 0.000 0.414 405 N N 3.823 122.273 118.700 -0.417 0.000 2.370 405 N HA 0.293 5.034 4.740 0.001 0.000 0.303 405 N C -0.734 174.459 175.510 -0.527 0.000 1.103 405 N CA -0.284 52.473 53.050 -0.489 0.000 0.848 405 N CB 1.087 39.422 38.487 -0.253 0.000 1.235 405 N HN 0.341 nan 8.380 nan 0.000 0.496 406 Y N 1.203 121.447 120.300 -0.095 0.000 2.956 406 Y HA 0.260 4.811 4.550 0.001 0.000 0.418 406 Y C 1.013 176.848 175.900 -0.108 0.000 1.266 406 Y CA -0.983 57.052 58.100 -0.109 0.000 1.522 406 Y CB -0.229 38.191 38.460 -0.067 0.000 1.524 406 Y HN 0.374 nan 8.280 nan 0.000 0.799 407 L N 0.235 121.529 121.223 0.119 0.000 2.477 407 L HA 0.004 4.345 4.340 0.001 0.000 0.289 407 L C 0.412 177.287 176.870 0.009 0.000 1.279 407 L CA 0.055 54.910 54.840 0.026 0.000 0.825 407 L CB 0.343 42.419 42.059 0.028 0.000 1.085 407 L HN 0.558 nan 8.230 nan 0.000 0.548 408 S N 0.255 115.947 115.700 -0.014 0.000 2.401 408 S HA 0.059 4.530 4.470 0.001 0.000 0.249 408 S C 1.278 175.890 174.600 0.020 0.000 1.237 408 S CA 0.102 58.294 58.200 -0.014 0.000 1.000 408 S CB 0.698 63.880 63.200 -0.031 0.000 1.013 408 S HN 0.874 nan 8.310 nan 0.000 0.494 409 T N 1.100 115.666 114.554 0.021 0.000 2.918 409 T HA -0.180 4.170 4.350 0.001 0.000 0.271 409 T C 1.065 175.843 174.700 0.129 0.000 1.104 409 T CA 1.886 64.016 62.100 0.049 0.000 1.114 409 T CB -0.466 68.423 68.868 0.034 0.000 0.855 409 T HN 0.750 nan 8.240 nan 0.000 0.518 410 H N -1.339 117.712 119.070 -0.030 0.000 4.020 410 H HA -0.235 4.322 4.556 0.001 0.000 0.136 410 H C 1.519 176.830 175.328 -0.028 0.000 0.717 410 H CA 1.497 57.524 56.048 -0.035 0.000 1.244 410 H CB -1.274 28.466 29.762 -0.036 0.000 0.713 410 H HN 0.537 nan 8.280 nan 0.000 0.558 411 S N -0.190 115.523 115.700 0.021 0.000 2.414 411 S HA 0.109 4.580 4.470 0.001 0.000 0.227 411 S C 1.189 175.748 174.600 -0.068 0.000 1.022 411 S CA 0.810 59.001 58.200 -0.015 0.000 0.958 411 S CB 0.345 63.553 63.200 0.013 0.000 0.797 411 S HN 0.369 nan 8.310 nan 0.000 0.493 412 S N 1.219 116.882 115.700 -0.062 0.000 2.429 412 S HA 0.626 5.097 4.470 0.001 0.000 0.302 412 S C 0.191 174.733 174.600 -0.097 0.000 1.115 412 S CA -0.695 57.462 58.200 -0.071 0.000 1.095 412 S CB 0.594 63.764 63.200 -0.050 0.000 0.987 412 S HN 0.598 nan 8.310 nan 0.000 0.474 413 G N 3.738 112.473 108.800 -0.108 0.000 2.380 413 G HA2 0.481 4.442 3.960 0.001 0.000 0.262 413 G HA3 0.481 4.442 3.960 0.001 0.000 0.262 413 G C 0.012 174.859 174.900 -0.088 0.000 1.243 413 G CA -0.116 44.916 45.100 -0.113 0.000 0.865 413 G HN 1.044 nan 8.290 nan 0.000 0.513 414 R N -0.057 120.394 120.500 -0.081 0.000 4.097 414 R HA -0.101 4.240 4.340 0.001 0.000 0.348 414 R C -1.403 174.850 176.300 -0.078 0.000 0.241 414 R CA 0.492 56.547 56.100 -0.075 0.000 1.138 414 R CB -0.860 29.391 30.300 -0.081 0.000 1.130 414 R HN 1.411 nan 8.270 nan 0.000 0.496 415 L N -1.858 119.311 121.223 -0.091 0.000 3.085 415 L HA 0.477 4.817 4.340 0.001 0.000 0.242 415 L C 0.121 176.918 176.870 -0.122 0.000 0.985 415 L CA 1.272 56.051 54.840 -0.102 0.000 1.052 415 L CB 0.922 42.919 42.059 -0.104 0.000 1.495 415 L HN 1.072 nan 8.230 nan 0.000 0.409 416 G N 0.226 108.954 108.800 -0.121 0.000 3.110 416 G HA2 -0.086 3.875 3.960 0.001 0.000 0.205 416 G HA3 -0.086 3.875 3.960 0.001 0.000 0.205 416 G C -0.178 174.675 174.900 -0.080 0.000 1.019 416 G CA 0.090 45.121 45.100 -0.115 0.000 0.826 416 G HN 0.768 nan 8.290 nan 0.000 0.481 417 S N 2.304 117.955 115.700 -0.082 0.000 2.494 417 S HA 0.431 4.902 4.470 0.001 0.000 0.312 417 S C 0.520 175.081 174.600 -0.065 0.000 1.121 417 S CA -0.073 58.084 58.200 -0.071 0.000 1.068 417 S CB 0.502 63.656 63.200 -0.077 0.000 1.141 417 S HN 0.435 nan 8.310 nan 0.000 0.527 418 K N 0.743 121.107 120.400 -0.059 0.000 4.075 418 K HA -0.208 4.113 4.320 0.001 0.000 0.278 418 K C 0.880 177.442 176.600 -0.063 0.000 0.862 418 K CA 0.597 56.845 56.287 -0.064 0.000 0.762 418 K CB -1.880 30.577 32.500 -0.072 0.000 1.660 418 K HN 0.875 nan 8.250 nan 0.000 0.437 419 c N -1.605 116.956 118.600 -0.064 0.000 2.791 419 c HA 0.111 4.682 4.570 0.001 0.000 0.270 419 c C 2.232 176.291 174.090 -0.052 0.000 1.257 419 c CA 0.088 56.375 56.329 -0.069 0.000 1.699 419 c CB -0.499 41.951 42.510 -0.100 0.000 1.904 419 c HN 0.503 nan 8.230 nan 0.000 0.603 420 V N 2.788 122.682 119.914 -0.034 0.000 2.363 420 V HA -0.262 3.858 4.120 0.001 0.000 0.254 420 V C 1.997 178.095 176.094 0.007 0.000 1.074 420 V CA 2.504 64.809 62.300 0.009 0.000 1.069 420 V CB -0.764 31.045 31.823 -0.023 0.000 0.659 420 V HN 0.700 nan 8.190 nan 0.000 0.455 421 N N 0.066 118.753 118.700 -0.022 0.000 2.314 421 N HA 0.255 4.995 4.740 0.001 0.000 0.200 421 N C 0.456 175.958 175.510 -0.013 0.000 1.135 421 N CA 0.550 53.592 53.050 -0.014 0.000 0.835 421 N CB 0.309 38.780 38.487 -0.027 0.000 0.989 421 N HN 0.521 nan 8.380 nan 0.000 0.478 422 A N 2.611 125.419 122.820 -0.020 0.000 2.450 422 A HA 0.272 4.592 4.320 0.001 0.000 0.255 422 A C -1.873 175.703 177.584 -0.014 0.000 1.096 422 A CA -0.932 51.090 52.037 -0.024 0.000 0.778 422 A CB -0.039 18.937 19.000 -0.040 0.000 1.031 422 A HN 0.027 nan 8.150 nan 0.000 0.494 423 P HA 0.217 nan 4.420 nan 0.000 0.268 423 P C -0.992 176.301 177.300 -0.011 0.000 1.204 423 P CA -0.122 62.976 63.100 -0.004 0.000 0.768 423 P CB 0.832 32.530 31.700 -0.004 0.000 0.842 424 L N 2.642 123.861 121.223 -0.007 0.000 2.346 424 L HA 0.348 4.689 4.340 0.001 0.000 0.276 424 L C 0.987 177.836 176.870 -0.035 0.000 1.006 424 L CA -0.305 54.523 54.840 -0.019 0.000 0.817 424 L CB 1.561 43.617 42.059 -0.004 0.000 1.272 424 L HN 0.313 nan 8.230 nan 0.000 0.421 425 E N 2.452 122.626 120.200 -0.043 0.000 2.192 425 E HA 0.571 4.922 4.350 0.001 0.000 0.196 425 E C 0.379 176.920 176.600 -0.099 0.000 0.922 425 E CA 0.844 57.204 56.400 -0.067 0.000 0.924 425 E CB 0.474 30.143 29.700 -0.052 0.000 0.911 425 E HN 0.822 nan 8.360 nan 0.000 0.478 426 G N -1.627 107.138 108.800 -0.058 0.000 2.339 426 G HA2 0.211 4.172 3.960 0.001 0.000 0.275 426 G HA3 0.211 4.172 3.960 0.001 0.000 0.275 426 G C -1.526 173.385 174.900 0.017 0.000 1.323 426 G CA -0.439 44.632 45.100 -0.049 0.000 0.927 426 G HN 0.270 nan 8.290 nan 0.000 0.486 427 Y N -1.672 118.476 120.300 -0.254 0.000 2.698 427 Y HA 0.881 5.432 4.550 0.001 0.000 0.332 427 Y C -1.110 174.375 175.900 -0.691 0.000 1.119 427 Y CA -2.386 55.349 58.100 -0.609 0.000 1.109 427 Y CB 0.634 38.684 38.460 -0.683 0.000 1.308 427 Y HN 0.636 nan 8.280 nan 0.000 0.499 428 Y N 0.184 120.159 120.300 -0.542 0.000 2.387 428 Y HA 0.628 5.178 4.550 0.001 0.000 0.330 428 Y C -0.206 175.583 175.900 -0.186 0.000 1.133 428 Y CA -1.784 56.103 58.100 -0.355 0.000 1.152 428 Y CB 1.565 39.898 38.460 -0.212 0.000 1.215 428 Y HN 0.463 nan 8.280 nan 0.000 0.466 429 V N 3.727 123.674 119.914 0.055 0.000 2.630 429 V HA 0.801 4.921 4.120 0.001 0.000 0.305 429 V C -0.349 175.838 176.094 0.154 0.000 1.046 429 V CA -0.777 61.583 62.300 0.100 0.000 0.934 429 V CB 1.683 33.543 31.823 0.062 0.000 1.003 429 V HN 0.648 nan 8.190 nan 0.000 0.451 430 V N 0.681 120.702 119.914 0.178 0.000 3.216 430 V HA 0.983 5.103 4.120 0.001 0.000 0.302 430 V C -0.554 175.661 176.094 0.202 0.000 1.286 430 V CA -0.980 61.420 62.300 0.168 0.000 1.048 430 V CB 1.872 33.772 31.823 0.127 0.000 1.081 430 V HN 1.166 nan 8.190 nan 0.000 0.442 431 A N 1.907 124.828 122.820 0.167 0.000 2.293 431 A HA 0.826 5.147 4.320 0.001 0.000 0.312 431 A C -0.416 177.139 177.584 -0.048 0.000 1.309 431 A CA -0.587 51.463 52.037 0.022 0.000 0.839 431 A CB 0.690 19.855 19.000 0.275 0.000 1.155 431 A HN 1.359 nan 8.150 nan 0.000 0.501 432 V N 2.506 122.340 119.914 -0.132 0.000 2.785 432 V HA 0.621 4.742 4.120 0.001 0.000 0.300 432 V C 0.411 176.483 176.094 -0.037 0.000 1.062 432 V CA -0.323 61.940 62.300 -0.061 0.000 1.029 432 V CB 1.209 32.965 31.823 -0.112 0.000 1.024 432 V HN 1.017 nan 8.190 nan 0.000 0.477 433 V N 0.814 120.790 119.914 0.103 0.000 3.049 433 V HA 0.669 4.789 4.120 0.001 0.000 0.309 433 V C -0.421 175.838 176.094 0.275 0.000 1.148 433 V CA -1.216 61.164 62.300 0.133 0.000 0.990 433 V CB 1.639 33.505 31.823 0.071 0.000 1.039 433 V HN 0.960 nan 8.190 nan 0.000 0.430 434 K N 1.528 122.036 120.400 0.180 0.000 2.140 434 K HA 0.472 4.793 4.320 0.001 0.000 0.237 434 K C 0.495 177.017 176.600 -0.130 0.000 1.045 434 K CA -0.484 55.766 56.287 -0.062 0.000 0.896 434 K CB 0.717 33.186 32.500 -0.051 0.000 1.122 434 K HN 0.572 nan 8.250 nan 0.000 0.503 435 K N 0.429 120.684 120.400 -0.242 0.000 2.211 435 K HA 0.047 4.367 4.320 0.001 0.000 0.201 435 K C 1.844 178.387 176.600 -0.095 0.000 1.052 435 K CA 1.111 57.306 56.287 -0.154 0.000 0.973 435 K CB -0.227 32.159 32.500 -0.189 0.000 0.766 435 K HN 0.642 nan 8.250 nan 0.000 0.466 436 S N 1.234 116.876 115.700 -0.097 0.000 2.407 436 S HA -0.132 4.338 4.470 0.001 0.000 0.235 436 S C 0.069 174.650 174.600 -0.033 0.000 1.036 436 S CA 1.286 59.452 58.200 -0.057 0.000 1.013 436 S CB -0.394 62.778 63.200 -0.047 0.000 0.820 436 S HN 0.378 nan 8.310 nan 0.000 0.476 437 D N 0.300 120.684 120.400 -0.026 0.000 2.264 437 D HA 0.275 4.916 4.640 0.001 0.000 0.250 437 D C 0.212 176.511 176.300 -0.003 0.000 1.113 437 D CA -0.014 53.982 54.000 -0.007 0.000 0.871 437 D CB 2.054 42.857 40.800 0.005 0.000 1.167 437 D HN 0.006 nan 8.370 nan 0.000 0.447 438 V N 1.722 121.637 119.914 0.003 0.000 3.398 438 V HA 0.247 4.367 4.120 0.001 0.000 0.298 438 V C 1.034 177.137 176.094 0.015 0.000 1.496 438 V CA 0.292 62.596 62.300 0.006 0.000 1.044 438 V CB 0.880 32.703 31.823 -0.000 0.000 0.880 438 V HN 0.655 nan 8.190 nan 0.000 0.443 439 G N 0.827 109.638 108.800 0.018 0.000 3.993 439 G HA2 0.401 4.362 3.960 0.001 0.000 0.294 439 G HA3 0.401 4.362 3.960 0.001 0.000 0.294 439 G C -0.084 174.835 174.900 0.031 0.000 1.043 439 G CA -0.054 45.059 45.100 0.022 0.000 0.839 439 G HN 0.400 nan 8.290 nan 0.000 0.516 440 I N 1.124 121.719 120.570 0.042 0.000 2.410 440 I HA 0.369 4.540 4.170 0.001 0.000 0.286 440 I C -0.064 176.104 176.117 0.084 0.000 1.009 440 I CA -0.462 60.874 61.300 0.059 0.000 1.111 440 I CB 2.247 40.283 38.000 0.060 0.000 1.262 440 I HN -0.021 nan 8.210 nan 0.000 0.443 441 T N 4.078 118.690 114.554 0.098 0.000 2.927 441 T HA 0.169 4.519 4.350 0.001 0.000 0.286 441 T C 0.819 175.646 174.700 0.212 0.000 1.040 441 T CA -0.469 61.719 62.100 0.147 0.000 1.010 441 T CB 1.384 70.327 68.868 0.125 0.000 1.177 441 T HN 0.698 nan 8.240 nan 0.000 0.546 442 W N 1.734 123.081 121.300 0.078 0.000 2.325 442 W HA -0.158 4.503 4.660 0.001 0.000 0.299 442 W C 1.430 178.020 176.519 0.119 0.000 1.215 442 W CA 1.520 58.929 57.345 0.107 0.000 1.244 442 W CB 0.075 29.582 29.460 0.078 0.000 1.140 442 W HN 0.706 nan 8.180 nan 0.000 0.523 443 K N 0.009 120.466 120.400 0.096 0.000 2.217 443 K HA -0.045 4.275 4.320 0.001 0.000 0.202 443 K C 1.439 178.004 176.600 -0.057 0.000 1.051 443 K CA 1.142 57.411 56.287 -0.029 0.000 0.952 443 K CB -0.344 32.188 32.500 0.053 0.000 0.736 443 K HN -0.134 nan 8.250 nan 0.000 0.453 444 S N 1.560 117.260 115.700 -0.000 0.000 2.815 444 S HA 0.170 4.641 4.470 0.001 0.000 0.254 444 S C 1.017 175.628 174.600 0.019 0.000 1.197 444 S CA 0.038 58.238 58.200 -0.001 0.000 1.216 444 S CB -0.203 63.016 63.200 0.032 0.000 0.871 444 S HN 0.187 nan 8.310 nan 0.000 0.473 445 L N 0.005 121.218 121.223 -0.016 0.000 2.463 445 L HA 0.196 4.537 4.340 0.001 0.000 0.219 445 L C 1.199 178.063 176.870 -0.010 0.000 1.088 445 L CA 0.070 54.986 54.840 0.127 0.000 0.849 445 L CB -0.030 42.120 42.059 0.151 0.000 1.012 445 L HN 0.298 nan 8.230 nan 0.000 0.468 446 Q N 1.051 120.620 119.800 -0.385 0.000 2.304 446 Q HA 0.110 4.450 4.340 0.001 0.000 0.301 446 Q C 1.110 176.926 176.000 -0.305 0.000 1.063 446 Q CA 1.057 56.416 55.803 -0.741 0.000 0.947 446 Q CB 0.559 28.937 28.738 -0.599 0.000 1.201 446 Q HN 0.329 nan 8.270 nan 0.000 0.389 447 G N 2.933 111.574 108.800 -0.265 0.000 2.361 447 G HA2 -0.281 3.680 3.960 0.001 0.000 0.294 447 G HA3 -0.281 3.680 3.960 0.001 0.000 0.294 447 G C -0.090 174.884 174.900 0.124 0.000 1.004 447 G CA 0.684 45.774 45.100 -0.018 0.000 0.870 447 G HN 0.477 nan 8.290 nan 0.000 0.510 448 K N -0.569 120.012 120.400 0.301 0.000 2.502 448 K HA 0.532 4.853 4.320 0.001 0.000 0.252 448 K C 0.586 177.383 176.600 0.327 0.000 1.043 448 K CA -0.579 55.891 56.287 0.306 0.000 0.999 448 K CB 0.656 33.353 32.500 0.329 0.000 1.343 448 K HN 0.243 nan 8.250 nan 0.000 0.513 449 K N 1.167 121.640 120.400 0.121 0.000 2.265 449 K HA 0.270 4.591 4.320 0.001 0.000 0.267 449 K C -0.435 176.011 176.600 -0.256 0.000 0.994 449 K CA -0.406 55.866 56.287 -0.025 0.000 0.860 449 K CB 1.437 33.921 32.500 -0.026 0.000 1.099 449 K HN 0.621 nan 8.250 nan 0.000 0.448 450 S N 0.923 116.327 115.700 -0.494 0.000 2.532 450 S HA 0.589 5.060 4.470 0.001 0.000 0.301 450 S C -0.389 173.920 174.600 -0.484 0.000 1.083 450 S CA -0.819 56.946 58.200 -0.726 0.000 1.025 450 S CB 1.106 63.392 63.200 -1.523 0.000 1.056 450 S HN 0.586 nan 8.310 nan 0.000 0.494 451 c N 3.005 121.255 118.600 -0.583 0.000 2.507 451 c HA 0.740 5.310 4.570 0.001 0.000 0.319 451 c C -0.530 173.255 174.090 -0.509 0.000 1.208 451 c CA -0.542 55.538 56.329 -0.416 0.000 1.619 451 c CB 0.496 42.796 42.510 -0.351 0.000 2.230 451 c HN 0.943 nan 8.230 nan 0.000 0.492 452 H N 0.969 120.126 119.070 0.145 0.000 2.806 452 H HA 0.244 4.800 4.556 0.001 0.000 0.367 452 H C 0.574 175.992 175.328 0.150 0.000 1.136 452 H CA -0.406 55.791 56.048 0.248 0.000 1.178 452 H CB 1.721 31.703 29.762 0.366 0.000 1.718 452 H HN 0.540 nan 8.280 nan 0.000 0.540 453 T N 1.732 116.433 114.554 0.246 0.000 2.597 453 T HA -0.030 4.321 4.350 0.001 0.000 0.267 453 T C 0.671 175.407 174.700 0.061 0.000 1.053 453 T CA 2.002 64.158 62.100 0.095 0.000 1.165 453 T CB -0.008 68.922 68.868 0.104 0.000 0.863 453 T HN 0.789 nan 8.240 nan 0.000 0.427 454 A N -0.780 122.141 122.820 0.168 0.000 2.571 454 A HA 0.513 4.834 4.320 0.001 0.000 0.296 454 A C -1.089 176.565 177.584 0.117 0.000 1.005 454 A CA -0.913 51.222 52.037 0.163 0.000 0.682 454 A CB 0.629 19.765 19.000 0.227 0.000 1.292 454 A HN 0.089 nan 8.150 nan 0.000 0.420 455 V N 1.518 121.381 119.914 -0.085 0.000 2.585 455 V HA 0.482 4.602 4.120 0.001 0.000 0.296 455 V C 1.593 177.631 176.094 -0.093 0.000 1.035 455 V CA 1.959 64.012 62.300 -0.411 0.000 1.084 455 V CB 0.572 31.956 31.823 -0.733 0.000 0.953 455 V HN 2.589 nan 8.190 nan 0.000 0.483 456 G N 3.566 112.282 108.800 -0.139 0.000 2.218 456 G HA2 -0.204 3.757 3.960 0.001 0.000 0.216 456 G HA3 -0.204 3.757 3.960 0.001 0.000 0.216 456 G C 0.319 174.934 174.900 -0.476 0.000 0.994 456 G CA -0.004 44.882 45.100 -0.357 0.000 0.637 456 G HN 1.091 nan 8.290 nan 0.000 0.505 457 T N -0.560 113.967 114.554 -0.045 0.000 2.889 457 T HA 0.666 5.017 4.350 0.001 0.000 0.291 457 T C 1.482 176.240 174.700 0.096 0.000 0.995 457 T CA 0.666 62.807 62.100 0.069 0.000 1.092 457 T CB 1.821 70.815 68.868 0.209 0.000 0.954 457 T HN 0.257 nan 8.240 nan 0.000 0.506 458 S N 1.802 117.557 115.700 0.091 0.000 2.356 458 S HA -0.158 4.312 4.470 0.001 0.000 0.223 458 S C 1.942 176.574 174.600 0.054 0.000 1.032 458 S CA 1.601 59.847 58.200 0.077 0.000 1.005 458 S CB -0.389 62.783 63.200 -0.046 0.000 0.867 458 S HN 0.990 nan 8.310 nan 0.000 0.449 459 E N 0.810 121.078 120.200 0.114 0.000 2.358 459 E HA 0.093 4.444 4.350 0.001 0.000 0.195 459 E C 1.618 178.335 176.600 0.195 0.000 1.010 459 E CA 0.872 57.367 56.400 0.158 0.000 0.856 459 E CB -0.230 29.630 29.700 0.267 0.000 0.795 459 E HN 0.468 nan 8.360 nan 0.000 0.504 460 G N -0.796 108.131 108.800 0.211 0.000 2.833 460 G HA2 0.035 3.996 3.960 0.001 0.000 0.214 460 G HA3 0.035 3.996 3.960 0.001 0.000 0.214 460 G C 0.623 175.743 174.900 0.366 0.000 1.075 460 G CA -0.110 45.175 45.100 0.309 0.000 0.799 460 G HN 0.322 nan 8.290 nan 0.000 0.541 461 W N 0.292 121.549 121.300 -0.072 0.000 4.909 461 W HA 0.079 4.740 4.660 0.001 0.000 0.180 461 W C 1.634 177.940 176.519 -0.355 0.000 2.269 461 W CA 0.202 57.421 57.345 -0.211 0.000 2.171 461 W CB -0.514 28.875 29.460 -0.118 0.000 1.191 461 W HN 0.163 nan 8.180 nan 0.000 0.907 462 N N 0.690 119.338 118.700 -0.087 0.000 2.139 462 N HA -0.281 4.459 4.740 0.001 0.000 0.199 462 N C 1.318 176.425 175.510 -0.672 0.000 1.003 462 N CA 2.405 55.166 53.050 -0.481 0.000 0.892 462 N CB -0.377 38.031 38.487 -0.131 0.000 1.039 462 N HN -0.081 nan 8.380 nan 0.000 0.461 463 V N 0.261 119.955 119.914 -0.367 0.000 2.492 463 V HA -0.000 4.120 4.120 0.001 0.000 0.241 463 V C -1.090 174.797 176.094 -0.345 0.000 1.041 463 V CA 1.061 63.184 62.300 -0.295 0.000 1.057 463 V CB -0.797 30.960 31.823 -0.110 0.000 0.711 463 V HN 0.144 nan 8.190 nan 0.000 0.468 464 P HA -0.124 nan 4.420 nan 0.000 0.213 464 P C 1.930 178.855 177.300 -0.625 0.000 1.170 464 P CA 1.518 64.272 63.100 -0.576 0.000 0.898 464 P CB -0.104 30.901 31.700 -1.158 0.000 0.787 465 M N -1.298 117.750 119.600 -0.920 0.000 2.296 465 M HA 0.045 4.525 4.480 0.001 0.000 0.265 465 M C 2.197 178.143 176.300 -0.589 0.000 1.064 465 M CA 1.573 56.244 55.300 -1.049 0.000 1.109 465 M CB -2.164 29.260 32.600 -1.961 0.000 1.396 465 M HN -0.009 nan 8.290 nan 0.000 0.430 466 G N 0.349 108.688 108.800 -0.769 0.000 2.418 466 G HA2 -0.132 3.828 3.960 0.001 0.000 0.217 466 G HA3 -0.132 3.828 3.960 0.001 0.000 0.217 466 G C 1.680 176.499 174.900 -0.136 0.000 1.158 466 G CA 0.336 45.097 45.100 -0.565 0.000 0.771 466 G HN 0.410 nan 8.290 nan 0.000 0.545 467 L N 0.041 121.186 121.223 -0.130 0.000 2.217 467 L HA 0.142 4.483 4.340 0.001 0.000 0.211 467 L C 2.689 179.602 176.870 0.070 0.000 1.107 467 L CA 0.306 55.164 54.840 0.030 0.000 0.783 467 L CB -0.170 41.971 42.059 0.137 0.000 0.919 467 L HN 0.212 nan 8.230 nan 0.000 0.442 468 I N -1.332 119.218 120.570 -0.033 0.000 2.406 468 I HA -0.287 3.884 4.170 0.001 0.000 0.249 468 I C 2.329 178.484 176.117 0.063 0.000 1.122 468 I CA 1.072 62.309 61.300 -0.105 0.000 1.431 468 I CB -0.161 37.564 38.000 -0.458 0.000 1.087 468 I HN 0.216 nan 8.210 nan 0.000 0.424 469 Y N 1.771 122.115 120.300 0.074 0.000 2.574 469 Y HA -0.208 4.342 4.550 0.001 0.000 0.294 469 Y C 1.661 177.592 175.900 0.051 0.000 1.142 469 Y CA 1.205 59.364 58.100 0.099 0.000 1.314 469 Y CB -0.085 38.512 38.460 0.228 0.000 0.991 469 Y HN 0.195 nan 8.280 nan 0.000 0.555 470 D N -0.575 119.823 120.400 -0.003 0.000 2.277 470 D HA -0.074 4.567 4.640 0.001 0.000 0.209 470 D C 1.704 177.962 176.300 -0.070 0.000 0.970 470 D CA 0.886 54.840 54.000 -0.077 0.000 0.874 470 D CB -0.089 40.719 40.800 0.013 0.000 0.982 470 D HN 0.492 nan 8.370 nan 0.000 0.504 471 Q N -0.150 119.644 119.800 -0.010 0.000 2.269 471 Q HA -0.019 4.322 4.340 0.001 0.000 0.201 471 Q C 1.891 177.886 176.000 -0.009 0.000 0.946 471 Q CA 1.339 57.151 55.803 0.015 0.000 0.877 471 Q CB 0.336 29.112 28.738 0.064 0.000 0.963 471 Q HN 0.364 nan 8.270 nan 0.000 0.472 472 T N -4.708 109.828 114.554 -0.031 0.000 3.044 472 T HA 0.299 4.650 4.350 0.001 0.000 0.237 472 T C 1.509 176.129 174.700 -0.134 0.000 1.001 472 T CA 0.856 62.938 62.100 -0.030 0.000 1.160 472 T CB 0.487 69.390 68.868 0.059 0.000 0.889 472 T HN 0.317 nan 8.240 nan 0.000 0.442 473 G N 1.139 109.753 108.800 -0.309 0.000 2.201 473 G HA2 -0.120 3.841 3.960 0.001 0.000 0.212 473 G HA3 -0.120 3.841 3.960 0.001 0.000 0.212 473 G C 0.246 174.953 174.900 -0.321 0.000 0.994 473 G CA 0.348 45.179 45.100 -0.448 0.000 0.644 473 G HN 1.478 nan 8.290 nan 0.000 0.508 474 S N -1.414 114.232 115.700 -0.090 0.000 2.566 474 S HA 0.600 5.071 4.470 0.001 0.000 0.298 474 S C 0.762 175.411 174.600 0.082 0.000 1.083 474 S CA -0.015 58.226 58.200 0.068 0.000 0.978 474 S CB 1.975 65.158 63.200 -0.029 0.000 1.073 474 S HN 0.615 nan 8.310 nan 0.000 0.491 475 c N 1.175 119.704 118.600 -0.119 0.000 2.626 475 c HA 0.336 4.907 4.570 0.001 0.000 0.266 475 c C 0.660 174.230 174.090 -0.866 0.000 1.317 475 c CA -0.199 55.748 56.329 -0.638 0.000 1.716 475 c CB -2.049 40.188 42.510 -0.455 0.000 1.819 475 c HN 0.764 nan 8.230 nan 0.000 0.578 476 K N 0.991 121.109 120.400 -0.470 0.000 2.292 476 K HA 0.249 4.570 4.320 0.001 0.000 0.290 476 K C 0.183 176.650 176.600 -0.222 0.000 1.083 476 K CA 0.029 56.163 56.287 -0.255 0.000 0.918 476 K CB -0.045 32.406 32.500 -0.083 0.000 1.089 476 K HN 0.221 nan 8.250 nan 0.000 0.473 477 F N 0.470 120.509 119.950 0.148 0.000 2.622 477 F HA -0.019 4.509 4.527 0.001 0.000 0.288 477 F C 1.499 177.452 175.800 0.256 0.000 1.120 477 F CA 0.004 58.108 58.000 0.173 0.000 1.423 477 F CB 0.041 39.143 39.000 0.170 0.000 1.127 477 F HN 0.524 nan 8.300 nan 0.000 0.588 478 D N 0.274 120.907 120.400 0.388 0.000 2.358 478 D HA 0.025 4.665 4.640 0.001 0.000 0.241 478 D C 1.398 177.840 176.300 0.236 0.000 1.094 478 D CA 0.860 55.045 54.000 0.309 0.000 0.907 478 D CB -0.059 40.878 40.800 0.229 0.000 0.893 478 D HN 0.319 nan 8.370 nan 0.000 0.528 479 A N -0.754 122.203 122.820 0.228 0.000 2.141 479 A HA 0.194 4.515 4.320 0.001 0.000 0.201 479 A C 1.482 179.148 177.584 0.135 0.000 1.344 479 A CA -0.326 51.797 52.037 0.145 0.000 0.971 479 A CB -0.432 18.619 19.000 0.086 0.000 1.035 479 A HN 0.143 nan 8.150 nan 0.000 0.480 480 F N 0.410 120.373 119.950 0.022 0.000 2.060 480 F HA 0.202 4.729 4.527 0.001 0.000 0.295 480 F C 0.323 176.025 175.800 -0.163 0.000 1.120 480 F CA 1.040 58.957 58.000 -0.138 0.000 1.205 480 F CB -0.147 38.709 39.000 -0.240 0.000 0.986 480 F HN 0.092 nan 8.300 nan 0.000 0.470 481 F N 0.276 120.492 119.950 0.443 0.000 2.385 481 F HA 0.195 4.722 4.527 0.001 0.000 0.336 481 F C 1.612 177.521 175.800 0.181 0.000 1.100 481 F CA -0.323 57.857 58.000 0.299 0.000 1.116 481 F CB 1.204 40.411 39.000 0.345 0.000 1.166 481 F HN -0.064 nan 8.300 nan 0.000 0.511 482 S N 2.528 118.429 115.700 0.336 0.000 2.404 482 S HA -0.074 4.397 4.470 0.001 0.000 0.216 482 S C 0.644 175.367 174.600 0.205 0.000 1.039 482 S CA 0.785 59.106 58.200 0.202 0.000 1.062 482 S CB -0.198 63.088 63.200 0.143 0.000 1.046 482 S HN 0.579 nan 8.310 nan 0.000 0.415 483 R N -0.251 120.359 120.500 0.183 0.000 2.854 483 R HA 0.769 5.109 4.340 0.001 0.000 0.271 483 R C -0.838 175.544 176.300 0.136 0.000 0.996 483 R CA -0.277 55.913 56.100 0.149 0.000 0.961 483 R CB 2.057 32.417 30.300 0.100 0.000 1.182 483 R HN 0.405 nan 8.270 nan 0.000 0.479 484 S N -0.184 115.597 115.700 0.135 0.000 2.636 484 S HA 0.394 4.865 4.470 0.001 0.000 0.268 484 S C -1.935 172.750 174.600 0.142 0.000 1.159 484 S CA -0.650 57.614 58.200 0.107 0.000 0.815 484 S CB 1.637 64.945 63.200 0.181 0.000 1.130 484 S HN 0.693 nan 8.310 nan 0.000 0.471 485 c N 2.974 121.665 118.600 0.151 0.000 2.455 485 c HA 0.867 5.437 4.570 0.001 0.000 0.321 485 c C -0.183 174.065 174.090 0.263 0.000 1.102 485 c CA 0.171 56.610 56.329 0.183 0.000 1.413 485 c CB -0.629 41.996 42.510 0.192 0.000 1.952 485 c HN 1.017 nan 8.230 nan 0.000 0.428 486 A N 7.546 130.510 122.820 0.239 0.000 2.664 486 A HA 0.668 4.989 4.320 0.001 0.000 0.338 486 A C -2.773 174.839 177.584 0.047 0.000 1.280 486 A CA -1.197 50.955 52.037 0.192 0.000 0.809 486 A CB 0.190 19.223 19.000 0.055 0.000 1.114 486 A HN 0.693 nan 8.150 nan 0.000 0.479 487 P HA 0.222 nan 4.420 nan 0.000 0.260 487 P C 1.182 178.492 177.300 0.018 0.000 1.172 487 P CA 2.184 65.337 63.100 0.088 0.000 0.760 487 P CB 0.692 32.534 31.700 0.237 0.000 0.773 488 G N 1.509 110.290 108.800 -0.031 0.000 2.231 488 G HA2 -0.190 3.771 3.960 0.001 0.000 0.206 488 G HA3 -0.190 3.771 3.960 0.001 0.000 0.206 488 G C 0.574 175.406 174.900 -0.113 0.000 0.996 488 G CA -0.068 44.995 45.100 -0.062 0.000 0.645 488 G HN 0.533 nan 8.290 nan 0.000 0.498 489 S N 0.026 115.648 115.700 -0.131 0.000 2.632 489 S HA 0.482 4.953 4.470 0.001 0.000 0.267 489 S C 0.050 174.621 174.600 -0.049 0.000 1.193 489 S CA 0.006 58.131 58.200 -0.125 0.000 1.003 489 S CB 0.744 63.871 63.200 -0.122 0.000 1.073 489 S HN 0.416 nan 8.310 nan 0.000 0.553 490 D N 1.407 121.796 120.400 -0.019 0.000 2.434 490 D HA 0.169 4.809 4.640 0.001 0.000 0.252 490 D C -1.733 174.574 176.300 0.012 0.000 1.185 490 D CA -1.541 52.461 54.000 0.003 0.000 0.886 490 D CB 0.808 41.621 40.800 0.022 0.000 1.148 490 D HN -0.028 nan 8.370 nan 0.000 0.483 491 P HA -0.131 nan 4.420 nan 0.000 0.216 491 P C -0.488 176.827 177.300 0.026 0.000 1.154 491 P CA 1.266 64.373 63.100 0.013 0.000 0.865 491 P CB 0.057 31.762 31.700 0.009 0.000 0.789 492 D N -1.309 119.108 120.400 0.028 0.000 2.970 492 D HA 0.260 4.900 4.640 0.001 0.000 0.282 492 D C -0.256 176.071 176.300 0.045 0.000 1.291 492 D CA -0.560 53.461 54.000 0.035 0.000 0.967 492 D CB -0.478 40.339 40.800 0.028 0.000 1.017 492 D HN 0.062 nan 8.370 nan 0.000 0.512 493 S N -1.511 114.223 115.700 0.057 0.000 2.651 493 S HA 0.583 5.053 4.470 0.001 0.000 0.279 493 S C -2.363 172.296 174.600 0.098 0.000 1.148 493 S CA -1.507 56.739 58.200 0.077 0.000 0.837 493 S CB 1.932 65.181 63.200 0.082 0.000 1.138 493 S HN -0.180 nan 8.310 nan 0.000 0.478 494 P HA 0.086 nan 4.420 nan 0.000 0.225 494 P C 1.022 178.429 177.300 0.178 0.000 1.148 494 P CA 0.727 63.915 63.100 0.146 0.000 0.779 494 P CB -0.079 31.721 31.700 0.166 0.000 0.780 495 L N -2.396 118.936 121.223 0.182 0.000 2.240 495 L HA -0.035 4.306 4.340 0.001 0.000 0.211 495 L C 0.979 177.938 176.870 0.148 0.000 1.106 495 L CA 0.831 55.792 54.840 0.201 0.000 0.793 495 L CB -0.402 41.765 42.059 0.180 0.000 0.927 495 L HN -0.061 nan 8.230 nan 0.000 0.446 496 c N 0.094 118.759 118.600 0.109 0.000 2.508 496 c HA 0.555 5.125 4.570 0.001 0.000 0.330 496 c C 1.602 175.743 174.090 0.085 0.000 1.435 496 c CA -0.271 56.109 56.329 0.085 0.000 1.712 496 c CB -0.780 41.761 42.510 0.051 0.000 2.741 496 c HN 0.460 nan 8.230 nan 0.000 0.562 497 A N 0.314 123.196 122.820 0.103 0.000 1.984 497 A HA 0.285 4.606 4.320 0.001 0.000 0.203 497 A C 1.544 179.185 177.584 0.096 0.000 1.292 497 A CA 0.469 52.561 52.037 0.092 0.000 0.782 497 A CB -0.147 18.911 19.000 0.096 0.000 0.924 497 A HN 0.534 nan 8.150 nan 0.000 0.475 498 L N 0.559 121.849 121.223 0.112 0.000 2.599 498 L HA 0.043 4.384 4.340 0.001 0.000 0.230 498 L C 0.142 177.157 176.870 0.240 0.000 1.141 498 L CA -0.512 54.406 54.840 0.130 0.000 0.877 498 L CB -0.491 41.608 42.059 0.068 0.000 1.009 498 L HN 0.285 nan 8.230 nan 0.000 0.447 499 c N -0.302 118.415 118.600 0.196 0.000 2.657 499 c HA -0.000 4.571 4.570 0.001 0.000 0.420 499 c C 2.030 176.122 174.090 0.003 0.000 1.323 499 c CA -0.270 56.160 56.329 0.169 0.000 1.894 499 c CB 1.444 44.000 42.510 0.077 0.000 2.681 499 c HN 0.269 nan 8.230 nan 0.000 0.613 500 V N 3.508 123.254 119.914 -0.280 0.000 3.307 500 V HA 0.334 4.454 4.120 0.001 0.000 0.253 500 V C 1.394 177.357 176.094 -0.217 0.000 1.149 500 V CA 1.954 64.064 62.300 -0.318 0.000 1.112 500 V CB -0.694 30.755 31.823 -0.624 0.000 0.777 500 V HN 1.462 nan 8.190 nan 0.000 0.464 501 G N -0.194 108.467 108.800 -0.231 0.000 2.562 501 G HA2 -0.009 3.952 3.960 0.001 0.000 0.250 501 G HA3 -0.009 3.952 3.960 0.001 0.000 0.250 501 G C 0.550 175.376 174.900 -0.122 0.000 1.269 501 G CA -0.207 44.784 45.100 -0.181 0.000 0.919 501 G HN 1.305 nan 8.290 nan 0.000 0.574 502 G N -2.279 106.596 108.800 0.126 0.000 2.825 502 G HA2 0.501 4.461 3.960 0.001 0.000 0.191 502 G HA3 0.501 4.461 3.960 0.001 0.000 0.191 502 G C 0.627 175.648 174.900 0.203 0.000 1.708 502 G CA 1.225 46.477 45.100 0.253 0.000 0.813 502 G HN 0.957 nan 8.290 nan 0.000 0.799 503 N N -0.244 118.535 118.700 0.131 0.000 2.066 503 N HA 0.055 4.795 4.740 0.001 0.000 0.232 503 N C 0.095 175.450 175.510 -0.258 0.000 1.316 503 N CA -0.348 52.663 53.050 -0.064 0.000 0.847 503 N CB 0.510 38.970 38.487 -0.046 0.000 1.165 503 N HN 0.323 nan 8.380 nan 0.000 0.471 504 N N 3.103 121.378 118.700 -0.708 0.000 2.454 504 N HA 0.075 4.815 4.740 0.001 0.000 0.254 504 N C -2.625 172.647 175.510 -0.397 0.000 1.228 504 N CA -0.547 52.106 53.050 -0.662 0.000 0.900 504 N CB 0.859 38.796 38.487 -0.917 0.000 1.089 504 N HN -0.106 nan 8.380 nan 0.000 0.449 505 P HA 0.136 nan 4.420 nan 0.000 0.268 505 P C -0.978 176.294 177.300 -0.047 0.000 1.282 505 P CA 0.260 63.308 63.100 -0.087 0.000 0.880 505 P CB 0.153 31.815 31.700 -0.063 0.000 0.971 506 A N 3.732 126.555 122.820 0.005 0.000 2.753 506 A HA -0.156 4.164 4.320 0.001 0.000 0.285 506 A C 0.397 178.050 177.584 0.115 0.000 1.405 506 A CA 0.891 52.956 52.037 0.048 0.000 0.727 506 A CB -2.760 16.252 19.000 0.020 0.000 1.101 506 A HN 0.916 nan 8.150 nan 0.000 0.412 507 H N -0.736 118.318 119.070 -0.026 0.000 3.192 507 H HA 0.541 5.097 4.556 0.001 0.000 0.247 507 H C 0.067 175.372 175.328 -0.038 0.000 1.203 507 H CA 0.102 56.129 56.048 -0.035 0.000 0.973 507 H CB -0.322 29.416 29.762 -0.040 0.000 2.500 507 H HN 0.862 nan 8.280 nan 0.000 0.678 508 M N 1.721 121.345 119.600 0.040 0.000 2.217 508 M HA 0.226 4.707 4.480 0.001 0.000 0.352 508 M C 0.604 176.861 176.300 -0.072 0.000 1.376 508 M CA 0.608 55.880 55.300 -0.045 0.000 1.107 508 M CB 0.092 32.701 32.600 0.016 0.000 1.723 508 M HN 0.645 nan 8.290 nan 0.000 0.461 509 c N 3.910 122.446 118.600 -0.107 0.000 4.552 509 c HA -0.090 4.481 4.570 0.001 0.000 0.268 509 c C 0.887 174.929 174.090 -0.080 0.000 1.288 509 c CA 0.255 56.550 56.329 -0.058 0.000 1.776 509 c CB -2.821 39.680 42.510 -0.014 0.000 1.415 509 c HN 1.316 nan 8.230 nan 0.000 0.729 510 A N 0.313 123.041 122.820 -0.154 0.000 2.492 510 A HA 0.486 4.806 4.320 0.001 0.000 0.236 510 A C 1.126 178.611 177.584 -0.166 0.000 1.078 510 A CA 0.911 52.854 52.037 -0.156 0.000 0.773 510 A CB 0.272 19.145 19.000 -0.210 0.000 1.023 510 A HN 2.026 nan 8.150 nan 0.000 0.504 511 A N 1.597 124.329 122.820 -0.146 0.000 2.412 511 A HA 0.388 4.708 4.320 0.001 0.000 0.253 511 A C 0.407 177.806 177.584 -0.308 0.000 1.334 511 A CA 0.271 52.229 52.037 -0.131 0.000 0.929 511 A CB -1.236 17.733 19.000 -0.053 0.000 0.983 511 A HN 0.989 nan 8.150 nan 0.000 0.508 512 N N -2.361 116.023 118.700 -0.527 0.000 2.697 512 N HA 0.187 4.927 4.740 0.001 0.000 0.272 512 N C -0.197 174.856 175.510 -0.762 0.000 1.381 512 N CA -1.003 51.710 53.050 -0.561 0.000 0.797 512 N CB 0.236 38.582 38.487 -0.235 0.000 1.523 512 N HN -0.113 nan 8.380 nan 0.000 0.518 513 N N -0.539 117.942 118.700 -0.365 0.000 2.666 513 N HA -0.064 4.677 4.740 0.001 0.000 0.194 513 N C 0.520 175.975 175.510 -0.091 0.000 1.220 513 N CA 0.624 53.611 53.050 -0.104 0.000 0.928 513 N CB -0.298 38.230 38.487 0.068 0.000 0.997 513 N HN 0.702 nan 8.380 nan 0.000 0.447 514 A N 0.294 123.017 122.820 -0.162 0.000 2.238 514 A HA -0.017 4.303 4.320 0.001 0.000 0.208 514 A C 0.838 178.258 177.584 -0.273 0.000 1.177 514 A CA 0.189 52.157 52.037 -0.116 0.000 0.804 514 A CB 0.036 19.012 19.000 -0.040 0.000 0.823 514 A HN 0.128 nan 8.150 nan 0.000 0.482 515 E N -0.614 119.437 120.200 -0.248 0.000 2.175 515 E HA 0.517 4.867 4.350 0.001 0.000 0.278 515 E C 1.276 177.797 176.600 -0.132 0.000 0.969 515 E CA 0.078 56.344 56.400 -0.222 0.000 0.796 515 E CB 1.085 30.693 29.700 -0.154 0.000 1.104 515 E HN 0.049 nan 8.360 nan 0.000 0.395 516 G N 3.439 112.092 108.800 -0.245 0.000 2.442 516 G HA2 -0.253 3.708 3.960 0.001 0.000 0.219 516 G HA3 -0.253 3.708 3.960 0.001 0.000 0.219 516 G C 0.298 175.029 174.900 -0.282 0.000 1.141 516 G CA 0.760 45.651 45.100 -0.349 0.000 0.763 516 G HN 0.570 nan 8.290 nan 0.000 0.554 517 Y N 0.220 120.481 120.300 -0.065 0.000 2.811 517 Y HA 0.396 4.946 4.550 0.001 0.000 0.330 517 Y C 0.354 176.261 175.900 0.012 0.000 1.081 517 Y CA -1.783 56.274 58.100 -0.070 0.000 1.408 517 Y CB -0.812 37.604 38.460 -0.074 0.000 1.235 517 Y HN 0.263 nan 8.280 nan 0.000 0.529 518 H N -0.038 119.070 119.070 0.063 0.000 2.467 518 H HA 0.642 5.198 4.556 0.001 0.000 0.331 518 H C 0.639 176.008 175.328 0.068 0.000 1.120 518 H CA 0.448 56.530 56.048 0.058 0.000 1.270 518 H CB 0.911 30.683 29.762 0.016 0.000 1.466 518 H HN 0.530 nan 8.280 nan 0.000 0.504 519 G N 1.712 110.224 108.800 -0.480 0.000 2.631 519 G HA2 -0.214 3.746 3.960 0.001 0.000 0.504 519 G HA3 -0.214 3.746 3.960 0.001 0.000 0.504 519 G C 0.606 175.459 174.900 -0.079 0.000 1.306 519 G CA -0.097 44.862 45.100 -0.235 0.000 0.897 519 G HN 0.605 nan 8.290 nan 0.000 0.520 520 S N -0.368 115.315 115.700 -0.027 0.000 2.436 520 S HA 0.049 4.519 4.470 0.001 0.000 0.228 520 S C 2.474 177.078 174.600 0.008 0.000 1.014 520 S CA 1.759 59.956 58.200 -0.006 0.000 0.950 520 S CB -0.055 63.136 63.200 -0.015 0.000 0.784 520 S HN 0.768 nan 8.310 nan 0.000 0.504 521 S N 1.160 116.886 115.700 0.044 0.000 2.421 521 S HA 0.091 4.562 4.470 0.001 0.000 0.224 521 S C 2.182 176.838 174.600 0.094 0.000 1.035 521 S CA 0.697 58.969 58.200 0.120 0.000 0.953 521 S CB -0.545 62.767 63.200 0.187 0.000 0.810 521 S HN 0.602 nan 8.310 nan 0.000 0.497 522 G N 1.439 110.266 108.800 0.046 0.000 2.443 522 G HA2 0.020 3.980 3.960 0.001 0.000 0.219 522 G HA3 0.020 3.980 3.960 0.001 0.000 0.219 522 G C 1.455 176.347 174.900 -0.013 0.000 1.131 522 G CA 0.808 45.920 45.100 0.020 0.000 0.775 522 G HN 0.541 nan 8.290 nan 0.000 0.547 523 A N 0.407 123.201 122.820 -0.042 0.000 1.929 523 A HA 0.139 4.459 4.320 0.001 0.000 0.216 523 A C 2.282 179.753 177.584 -0.188 0.000 1.176 523 A CA 1.459 53.428 52.037 -0.112 0.000 0.628 523 A CB -0.338 18.619 19.000 -0.071 0.000 0.816 523 A HN 0.402 nan 8.150 nan 0.000 0.444 524 L N -0.012 121.133 121.223 -0.129 0.000 2.046 524 L HA -0.093 4.248 4.340 0.001 0.000 0.208 524 L C 2.399 179.202 176.870 -0.111 0.000 1.077 524 L CA 2.333 57.095 54.840 -0.130 0.000 0.747 524 L CB -0.676 41.360 42.059 -0.039 0.000 0.896 524 L HN 0.459 nan 8.230 nan 0.000 0.432 525 R N -1.121 119.238 120.500 -0.236 0.000 2.091 525 R HA -0.244 4.096 4.340 0.001 0.000 0.238 525 R C 2.596 178.648 176.300 -0.413 0.000 1.136 525 R CA 1.946 57.734 56.100 -0.519 0.000 0.959 525 R CB -0.964 28.704 30.300 -1.053 0.000 0.856 525 R HN 0.667 nan 8.270 nan 0.000 0.437 526 c N 0.440 118.608 118.600 -0.720 0.000 2.425 526 c HA -0.049 4.522 4.570 0.001 0.000 0.277 526 c C 2.567 176.321 174.090 -0.561 0.000 1.280 526 c CA 0.708 56.285 56.329 -1.254 0.000 1.744 526 c CB -1.174 40.635 42.510 -1.169 0.000 1.989 526 c HN 0.663 nan 8.230 nan 0.000 0.491 527 L N 0.484 121.507 121.223 -0.333 0.000 2.046 527 L HA -0.070 4.270 4.340 0.001 0.000 0.208 527 L C 2.421 179.264 176.870 -0.045 0.000 1.077 527 L CA 1.875 56.613 54.840 -0.169 0.000 0.747 527 L CB -0.195 41.794 42.059 -0.117 0.000 0.896 527 L HN 0.308 nan 8.230 nan 0.000 0.432 528 V N -0.754 119.171 119.914 0.018 0.000 2.788 528 V HA -0.109 4.011 4.120 0.001 0.000 0.251 528 V C 2.038 178.162 176.094 0.049 0.000 1.068 528 V CA 1.247 63.611 62.300 0.108 0.000 1.090 528 V CB -0.143 31.826 31.823 0.243 0.000 0.710 528 V HN 0.450 nan 8.190 nan 0.000 0.467 529 E N -0.265 119.922 120.200 -0.021 0.000 2.166 529 E HA 0.034 4.385 4.350 0.001 0.000 0.192 529 E C 1.683 178.275 176.600 -0.014 0.000 0.967 529 E CA 0.578 56.985 56.400 0.012 0.000 0.840 529 E CB 0.303 30.046 29.700 0.072 0.000 0.795 529 E HN 0.512 nan 8.360 nan 0.000 0.470 530 K N -0.295 120.039 120.400 -0.110 0.000 2.757 530 K HA 0.159 4.479 4.320 0.001 0.000 0.201 530 K C 1.088 177.632 176.600 -0.095 0.000 1.495 530 K CA 0.346 56.587 56.287 -0.077 0.000 1.090 530 K CB 0.453 32.923 32.500 -0.050 0.000 1.796 530 K HN -0.008 nan 8.250 nan 0.000 0.523 531 G N 0.880 109.578 108.800 -0.171 0.000 2.525 531 G HA2 0.022 3.982 3.960 0.001 0.000 0.276 531 G HA3 0.022 3.982 3.960 0.001 0.000 0.276 531 G C -0.152 174.679 174.900 -0.116 0.000 1.388 531 G CA 0.031 45.040 45.100 -0.153 0.000 1.050 531 G HN 0.109 nan 8.290 nan 0.000 0.520 532 D N -2.056 118.270 120.400 -0.122 0.000 2.753 532 D HA 0.085 4.725 4.640 0.001 0.000 0.291 532 D C 0.322 176.553 176.300 -0.115 0.000 1.075 532 D CA 0.504 54.458 54.000 -0.076 0.000 0.946 532 D CB 0.861 41.645 40.800 -0.026 0.000 1.376 532 D HN 0.099 nan 8.370 nan 0.000 0.482 533 V N 1.698 121.488 119.914 -0.207 0.000 2.357 533 V HA 0.712 4.833 4.120 0.001 0.000 0.284 533 V C -0.086 175.624 176.094 -0.640 0.000 1.018 533 V CA -0.843 61.255 62.300 -0.337 0.000 0.841 533 V CB 1.317 32.990 31.823 -0.250 0.000 0.991 533 V HN 0.163 nan 8.190 nan 0.000 0.437 534 A N 4.647 127.089 122.820 -0.631 0.000 2.311 534 A HA 0.970 5.290 4.320 0.001 0.000 0.334 534 A C -1.181 175.914 177.584 -0.816 0.000 1.139 534 A CA -0.419 51.227 52.037 -0.652 0.000 0.830 534 A CB 1.009 19.793 19.000 -0.359 0.000 1.234 534 A HN 0.623 nan 8.150 nan 0.000 0.483 535 F N 1.366 121.246 119.950 -0.117 0.000 2.477 535 F HA 0.670 5.197 4.527 0.001 0.000 0.335 535 F C 0.389 176.205 175.800 0.026 0.000 1.130 535 F CA -0.305 57.691 58.000 -0.006 0.000 0.948 535 F CB 1.716 40.751 39.000 0.057 0.000 1.154 535 F HN 0.740 nan 8.300 nan 0.000 0.439 536 M N 1.204 120.913 119.600 0.181 0.000 3.385 536 M HA 0.547 5.027 4.480 0.001 0.000 0.286 536 M C -0.920 175.466 176.300 0.144 0.000 1.381 536 M CA -1.118 54.260 55.300 0.130 0.000 0.813 536 M CB 2.234 34.861 32.600 0.045 0.000 1.731 536 M HN 0.420 nan 8.290 nan 0.000 0.460 537 K N -0.267 120.206 120.400 0.122 0.000 3.029 537 K HA 0.332 4.652 4.320 0.001 0.000 0.347 537 K C 0.236 176.898 176.600 0.104 0.000 0.994 537 K CA -0.539 55.838 56.287 0.150 0.000 1.278 537 K CB -0.422 32.073 32.500 -0.009 0.000 1.270 537 K HN 0.551 nan 8.250 nan 0.000 0.550 538 H N 0.994 120.112 119.070 0.080 0.000 2.861 538 H HA -0.012 4.544 4.556 0.001 0.000 0.391 538 H C -1.865 173.472 175.328 0.015 0.000 1.601 538 H CA -0.940 55.138 56.048 0.050 0.000 1.467 538 H CB -0.709 29.010 29.762 -0.071 0.000 1.500 538 H HN 0.358 nan 8.280 nan 0.000 0.594 539 P HA -0.014 nan 4.420 nan 0.000 0.248 539 P C 0.364 177.681 177.300 0.028 0.000 1.550 539 P CA 0.516 63.665 63.100 0.082 0.000 1.252 539 P CB -0.444 31.297 31.700 0.067 0.000 1.869 540 T N -0.439 114.119 114.554 0.006 0.000 2.995 540 T HA -0.112 4.238 4.350 0.001 0.000 0.269 540 T C 1.748 176.428 174.700 -0.033 0.000 1.091 540 T CA 0.824 62.910 62.100 -0.023 0.000 1.128 540 T CB -0.297 68.554 68.868 -0.028 0.000 0.891 540 T HN 0.201 nan 8.240 nan 0.000 0.492 541 V N 1.365 121.239 119.914 -0.067 0.000 2.515 541 V HA -0.038 4.082 4.120 0.001 0.000 0.250 541 V C 2.120 178.218 176.094 0.007 0.000 1.058 541 V CA 1.270 63.505 62.300 -0.108 0.000 1.064 541 V CB -0.501 31.157 31.823 -0.275 0.000 0.675 541 V HN 0.379 nan 8.190 nan 0.000 0.461 542 L N 0.520 121.766 121.223 0.038 0.000 2.141 542 L HA -0.101 4.240 4.340 0.001 0.000 0.209 542 L C 2.431 179.324 176.870 0.038 0.000 1.094 542 L CA 2.000 56.883 54.840 0.072 0.000 0.763 542 L CB -0.741 41.352 42.059 0.057 0.000 0.908 542 L HN 0.436 nan 8.230 nan 0.000 0.437 543 Q N -0.977 118.829 119.800 0.010 0.000 2.472 543 Q HA -0.024 4.317 4.340 0.001 0.000 0.208 543 Q C 0.924 176.922 176.000 -0.004 0.000 0.958 543 Q CA 0.796 56.597 55.803 -0.004 0.000 0.932 543 Q CB 0.121 28.847 28.738 -0.020 0.000 1.007 543 Q HN 0.625 nan 8.270 nan 0.000 0.508 544 N N -0.348 118.352 118.700 -0.001 0.000 2.382 544 N HA -0.004 4.736 4.740 0.001 0.000 0.200 544 N C 0.641 176.130 175.510 -0.035 0.000 1.122 544 N CA 0.560 53.593 53.050 -0.027 0.000 0.870 544 N CB 0.535 39.013 38.487 -0.014 0.000 1.176 544 N HN 0.156 nan 8.380 nan 0.000 0.474 545 T N -0.362 114.206 114.554 0.024 0.000 2.754 545 T HA 0.146 4.497 4.350 0.001 0.000 0.286 545 T C 0.203 174.936 174.700 0.054 0.000 0.997 545 T CA -0.089 62.047 62.100 0.060 0.000 0.982 545 T CB 0.844 69.799 68.868 0.146 0.000 1.027 545 T HN 0.109 nan 8.240 nan 0.000 0.529 546 D N -0.363 120.074 120.400 0.061 0.000 3.012 546 D HA -0.160 4.480 4.640 0.001 0.000 0.222 546 D C 0.886 177.194 176.300 0.013 0.000 1.167 546 D CA 1.492 55.527 54.000 0.058 0.000 0.854 546 D CB -1.763 39.101 40.800 0.107 0.000 1.107 546 D HN 1.653 nan 8.370 nan 0.000 0.421 547 G N 0.473 109.262 108.800 -0.019 0.000 2.289 547 G HA2 -0.363 3.597 3.960 0.001 0.000 0.280 547 G HA3 -0.363 3.597 3.960 0.001 0.000 0.280 547 G C 0.687 175.563 174.900 -0.041 0.000 1.089 547 G CA 0.578 45.652 45.100 -0.043 0.000 0.939 547 G HN 0.464 nan 8.290 nan 0.000 0.499 548 K N -0.618 119.755 120.400 -0.045 0.000 2.404 548 K HA 0.072 4.392 4.320 0.001 0.000 0.194 548 K C 0.720 177.291 176.600 -0.048 0.000 1.023 548 K CA 0.843 57.108 56.287 -0.036 0.000 1.094 548 K CB 0.178 32.664 32.500 -0.023 0.000 0.841 548 K HN 0.754 nan 8.250 nan 0.000 0.523 549 N N -0.857 117.794 118.700 -0.082 0.000 2.260 549 N HA 0.203 4.944 4.740 0.001 0.000 0.293 549 N C -2.842 172.600 175.510 -0.113 0.000 1.058 549 N CA -1.844 51.152 53.050 -0.090 0.000 0.824 549 N CB 1.447 39.864 38.487 -0.116 0.000 1.551 549 N HN -0.335 nan 8.380 nan 0.000 0.475 550 P HA 0.009 nan 4.420 nan 0.000 0.269 550 P C -0.870 176.377 177.300 -0.088 0.000 1.376 550 P CA 0.400 63.460 63.100 -0.067 0.000 0.775 550 P CB -0.048 31.632 31.700 -0.033 0.000 1.345 551 E N 0.477 120.573 120.200 -0.172 0.000 2.289 551 E HA 0.076 4.427 4.350 0.001 0.000 0.278 551 E C -1.584 174.844 176.600 -0.287 0.000 1.032 551 E CA -1.813 54.435 56.400 -0.254 0.000 0.854 551 E CB 0.573 29.963 29.700 -0.516 0.000 1.046 551 E HN 0.118 nan 8.360 nan 0.000 0.409 552 P HA -0.174 nan 4.420 nan 0.000 0.217 552 P C 0.935 178.240 177.300 0.010 0.000 1.150 552 P CA 1.035 64.121 63.100 -0.023 0.000 0.832 552 P CB 0.023 31.768 31.700 0.074 0.000 0.787 553 W N -0.793 120.536 121.300 0.047 0.000 2.584 553 W HA 0.322 4.982 4.660 0.001 0.000 0.264 553 W C 1.232 177.788 176.519 0.062 0.000 1.264 553 W CA 0.754 58.134 57.345 0.058 0.000 1.306 553 W CB -1.269 28.236 29.460 0.074 0.000 1.110 553 W HN -0.121 nan 8.180 nan 0.000 0.606 554 A N 1.047 123.397 122.820 -0.784 0.000 2.195 554 A HA 0.036 4.356 4.320 0.001 0.000 0.210 554 A C 1.337 178.749 177.584 -0.287 0.000 1.165 554 A CA 0.032 51.645 52.037 -0.708 0.000 0.806 554 A CB -0.412 17.883 19.000 -1.175 0.000 0.847 554 A HN -0.005 nan 8.150 nan 0.000 0.482 555 K N 1.223 121.496 120.400 -0.213 0.000 2.245 555 K HA 0.224 4.545 4.320 0.001 0.000 0.281 555 K C 0.446 177.019 176.600 -0.044 0.000 1.079 555 K CA 0.874 57.097 56.287 -0.107 0.000 1.000 555 K CB -0.886 31.567 32.500 -0.079 0.000 1.038 555 K HN 0.675 nan 8.250 nan 0.000 0.430 556 G N 3.104 111.883 108.800 -0.034 0.000 2.215 556 G HA2 -0.104 3.857 3.960 0.001 0.000 0.187 556 G HA3 -0.104 3.857 3.960 0.001 0.000 0.187 556 G C -0.836 174.065 174.900 0.001 0.000 1.039 556 G CA -0.645 44.449 45.100 -0.011 0.000 0.771 556 G HN 0.415 nan 8.290 nan 0.000 0.507 557 L N 0.639 121.869 121.223 0.011 0.000 2.334 557 L HA 0.800 5.141 4.340 0.001 0.000 0.273 557 L C 0.231 177.126 176.870 0.042 0.000 1.013 557 L CA -0.529 54.346 54.840 0.059 0.000 0.816 557 L CB 1.806 43.959 42.059 0.156 0.000 1.278 557 L HN 0.082 nan 8.230 nan 0.000 0.431 558 K N -0.232 120.179 120.400 0.018 0.000 2.426 558 K HA 0.310 4.631 4.320 0.001 0.000 0.251 558 K C 0.336 176.894 176.600 -0.070 0.000 0.941 558 K CA -0.783 55.463 56.287 -0.068 0.000 0.808 558 K CB 1.960 34.335 32.500 -0.208 0.000 1.265 558 K HN 0.725 nan 8.250 nan 0.000 0.432 559 H N 0.428 119.570 119.070 0.119 0.000 2.426 559 H HA -0.173 4.383 4.556 0.001 0.000 0.298 559 H C 1.180 176.586 175.328 0.130 0.000 1.107 559 H CA 2.034 58.166 56.048 0.141 0.000 1.298 559 H CB 0.025 29.836 29.762 0.082 0.000 1.377 559 H HN 0.737 nan 8.280 nan 0.000 0.519 560 E N 0.383 120.204 120.200 -0.632 0.000 2.502 560 E HA -0.085 4.266 4.350 0.001 0.000 0.194 560 E C 0.503 176.998 176.600 -0.174 0.000 1.062 560 E CA 0.606 56.862 56.400 -0.240 0.000 0.867 560 E CB 0.071 29.609 29.700 -0.270 0.000 0.888 560 E HN 0.454 nan 8.360 nan 0.000 0.510 561 D N 0.089 120.349 120.400 -0.233 0.000 2.347 561 D HA 0.089 4.730 4.640 0.001 0.000 0.213 561 D C -0.627 175.348 176.300 -0.542 0.000 0.985 561 D CA 0.506 54.275 54.000 -0.384 0.000 0.879 561 D CB 0.086 40.581 40.800 -0.509 0.000 0.919 561 D HN 0.118 nan 8.370 nan 0.000 0.526 562 F N 0.604 120.535 119.950 -0.031 0.000 2.520 562 F HA 0.412 4.939 4.527 0.001 0.000 0.322 562 F C 0.607 176.411 175.800 0.006 0.000 1.103 562 F CA -0.856 57.140 58.000 -0.007 0.000 0.926 562 F CB 1.892 40.895 39.000 0.005 0.000 1.154 562 F HN -0.387 nan 8.300 nan 0.000 0.453 563 E N 2.195 122.516 120.200 0.202 0.000 2.378 563 E HA 0.689 5.039 4.350 0.001 0.000 0.265 563 E C -1.358 175.309 176.600 0.111 0.000 0.932 563 E CA -1.003 55.469 56.400 0.121 0.000 0.795 563 E CB 2.787 32.528 29.700 0.069 0.000 1.296 563 E HN 0.393 nan 8.360 nan 0.000 0.438 564 L N 1.240 122.509 121.223 0.077 0.000 2.330 564 L HA 0.502 4.843 4.340 0.001 0.000 0.271 564 L C -0.677 176.228 176.870 0.058 0.000 1.013 564 L CA -0.939 53.938 54.840 0.062 0.000 0.816 564 L CB 0.930 43.017 42.059 0.046 0.000 1.287 564 L HN 0.284 nan 8.230 nan 0.000 0.435 565 L N 2.038 123.307 121.223 0.076 0.000 2.277 565 L HA 0.391 4.732 4.340 0.001 0.000 0.284 565 L C -0.449 176.431 176.870 0.018 0.000 1.028 565 L CA -0.524 54.382 54.840 0.109 0.000 0.835 565 L CB 0.965 43.167 42.059 0.238 0.000 1.215 565 L HN 0.685 nan 8.230 nan 0.000 0.425 566 c N 2.155 120.724 118.600 -0.051 0.000 2.422 566 c HA 0.252 4.823 4.570 0.001 0.000 0.364 566 c C 2.081 175.994 174.090 -0.296 0.000 1.251 566 c CA -1.049 55.165 56.329 -0.191 0.000 2.441 566 c CB 0.902 43.316 42.510 -0.160 0.000 2.393 566 c HN 0.663 nan 8.230 nan 0.000 0.606 567 L N 2.052 122.982 121.223 -0.489 0.000 2.079 567 L HA -0.145 4.195 4.340 0.001 0.000 0.210 567 L C 2.286 179.022 176.870 -0.223 0.000 1.081 567 L CA 2.527 57.007 54.840 -0.599 0.000 0.752 567 L CB -1.544 40.217 42.059 -0.497 0.000 0.896 567 L HN 0.876 nan 8.230 nan 0.000 0.433 568 D N -1.148 119.167 120.400 -0.141 0.000 2.178 568 D HA -0.033 4.608 4.640 0.001 0.000 0.202 568 D C 1.620 177.926 176.300 0.010 0.000 0.974 568 D CA 1.324 55.294 54.000 -0.050 0.000 0.841 568 D CB -0.175 40.590 40.800 -0.059 0.000 0.953 568 D HN 0.344 nan 8.370 nan 0.000 0.478 569 G N -1.502 107.308 108.800 0.016 0.000 2.273 569 G HA2 -0.165 3.795 3.960 0.001 0.000 0.162 569 G HA3 -0.165 3.795 3.960 0.001 0.000 0.162 569 G C 0.302 175.230 174.900 0.046 0.000 1.006 569 G CA 0.002 45.145 45.100 0.071 0.000 0.704 569 G HN 0.408 nan 8.290 nan 0.000 0.487 570 T N 0.816 115.375 114.554 0.009 0.000 2.856 570 T HA 0.504 4.855 4.350 0.001 0.000 0.306 570 T C 0.628 175.339 174.700 0.017 0.000 1.062 570 T CA 0.190 62.292 62.100 0.004 0.000 1.083 570 T CB 1.194 70.050 68.868 -0.020 0.000 0.984 570 T HN 0.259 nan 8.240 nan 0.000 0.542 571 R N 1.509 122.022 120.500 0.020 0.000 2.651 571 R HA 0.205 4.545 4.340 0.001 0.000 0.282 571 R C -0.238 176.076 176.300 0.024 0.000 1.565 571 R CA -0.399 55.719 56.100 0.030 0.000 1.661 571 R CB 0.612 30.934 30.300 0.036 0.000 1.189 571 R HN 0.491 nan 8.270 nan 0.000 0.621 572 K N 1.429 121.839 120.400 0.016 0.000 2.202 572 K HA 0.246 4.567 4.320 0.001 0.000 0.264 572 K C -2.369 174.253 176.600 0.036 0.000 1.010 572 K CA -1.785 54.511 56.287 0.016 0.000 0.940 572 K CB 0.490 32.989 32.500 -0.001 0.000 0.983 572 K HN 0.010 nan 8.250 nan 0.000 0.475 573 P HA -0.113 nan 4.420 nan 0.000 0.267 573 P C 0.827 178.174 177.300 0.078 0.000 1.200 573 P CA -0.062 63.080 63.100 0.070 0.000 0.772 573 P CB 0.559 32.303 31.700 0.074 0.000 0.855 574 V N 2.607 122.587 119.914 0.110 0.000 2.660 574 V HA -0.252 3.868 4.120 0.001 0.000 0.257 574 V C 2.080 178.224 176.094 0.083 0.000 1.088 574 V CA 2.853 65.215 62.300 0.103 0.000 1.106 574 V CB -1.234 30.665 31.823 0.127 0.000 0.686 574 V HN 0.757 nan 8.190 nan 0.000 0.481 575 T N -0.674 113.927 114.554 0.078 0.000 2.915 575 T HA -0.080 4.270 4.350 0.001 0.000 0.269 575 T C 0.950 175.664 174.700 0.023 0.000 1.071 575 T CA 0.938 63.065 62.100 0.045 0.000 1.132 575 T CB -0.331 68.560 68.868 0.038 0.000 0.878 575 T HN 0.545 nan 8.240 nan 0.000 0.479 576 E N 1.336 121.551 120.200 0.026 0.000 2.028 576 E HA 0.445 4.796 4.350 0.001 0.000 0.275 576 E C 0.283 176.885 176.600 0.002 0.000 1.171 576 E CA -0.148 56.254 56.400 0.003 0.000 1.186 576 E CB 0.488 30.186 29.700 -0.002 0.000 1.256 576 E HN 0.479 nan 8.360 nan 0.000 0.474 577 A N 1.708 124.537 122.820 0.016 0.000 2.387 577 A HA 0.010 4.331 4.320 0.001 0.000 0.234 577 A C 1.682 179.184 177.584 -0.137 0.000 1.253 577 A CA -0.042 52.009 52.037 0.023 0.000 0.894 577 A CB 0.215 19.305 19.000 0.148 0.000 0.963 577 A HN 0.332 nan 8.150 nan 0.000 0.508 578 Q N 0.101 119.810 119.800 -0.152 0.000 2.354 578 Q HA -0.047 4.293 4.340 0.001 0.000 0.203 578 Q C 1.623 177.532 176.000 -0.151 0.000 0.933 578 Q CA 1.554 57.188 55.803 -0.281 0.000 0.901 578 Q CB 0.103 28.786 28.738 -0.092 0.000 1.007 578 Q HN 0.654 nan 8.270 nan 0.000 0.495 579 S N -2.011 113.606 115.700 -0.139 0.000 2.549 579 S HA 0.121 4.592 4.470 0.001 0.000 0.225 579 S C 0.608 175.052 174.600 -0.261 0.000 1.039 579 S CA -0.344 57.744 58.200 -0.187 0.000 0.942 579 S CB 0.514 63.644 63.200 -0.117 0.000 0.881 579 S HN 0.298 nan 8.310 nan 0.000 0.503 580 c N 4.194 122.682 118.600 -0.187 0.000 2.627 580 c HA 0.719 5.290 4.570 0.001 0.000 0.369 580 c C -0.364 173.658 174.090 -0.114 0.000 1.246 580 c CA -0.649 55.579 56.329 -0.168 0.000 1.663 580 c CB -2.175 40.287 42.510 -0.080 0.000 1.778 580 c HN 0.746 nan 8.230 nan 0.000 0.516 581 H N -0.035 118.927 119.070 -0.181 0.000 2.928 581 H HA 0.639 5.195 4.556 0.001 0.000 0.371 581 H C 0.076 175.308 175.328 -0.160 0.000 1.186 581 H CA -1.056 54.903 56.048 -0.148 0.000 1.134 581 H CB 0.438 30.086 29.762 -0.190 0.000 1.824 581 H HN 0.002 nan 8.280 nan 0.000 0.554 582 L N 0.965 122.237 121.223 0.081 0.000 2.044 582 L HA 0.388 4.728 4.340 0.001 0.000 0.205 582 L C 0.959 177.890 176.870 0.101 0.000 1.075 582 L CA 2.176 57.000 54.840 -0.027 0.000 0.747 582 L CB -0.588 41.476 42.059 0.008 0.000 0.903 582 L HN 0.990 nan 8.230 nan 0.000 0.435 583 A N -2.170 120.799 122.820 0.249 0.000 2.566 583 A HA 0.586 4.907 4.320 0.001 0.000 0.290 583 A C -1.108 176.481 177.584 0.009 0.000 1.071 583 A CA -0.701 51.450 52.037 0.190 0.000 0.658 583 A CB 0.961 19.998 19.000 0.062 0.000 1.285 583 A HN -0.113 nan 8.150 nan 0.000 0.427 584 R N 0.907 121.394 120.500 -0.023 0.000 2.265 584 R HA 0.560 4.901 4.340 0.001 0.000 0.328 584 R C -0.648 175.538 176.300 -0.190 0.000 0.969 584 R CA 0.001 56.037 56.100 -0.107 0.000 0.832 584 R CB 0.623 30.921 30.300 -0.005 0.000 1.139 584 R HN 1.286 nan 8.270 nan 0.000 0.457 585 V N 2.514 122.180 119.914 -0.413 0.000 2.975 585 V HA 0.724 4.844 4.120 0.001 0.000 0.318 585 V C -2.503 173.208 176.094 -0.639 0.000 1.077 585 V CA -2.763 59.182 62.300 -0.592 0.000 1.000 585 V CB 1.720 33.089 31.823 -0.756 0.000 1.066 585 V HN 0.547 nan 8.190 nan 0.000 0.452 586 P HA 0.194 nan 4.420 nan 0.000 0.272 586 P C -0.593 176.592 177.300 -0.191 0.000 1.240 586 P CA -0.204 62.655 63.100 -0.401 0.000 0.791 586 P CB 0.321 31.752 31.700 -0.449 0.000 0.978 587 N N 1.266 119.981 118.700 0.026 0.000 2.503 587 N HA 0.133 4.874 4.740 0.001 0.000 0.267 587 N C 0.118 175.863 175.510 0.391 0.000 1.214 587 N CA -0.163 53.054 53.050 0.278 0.000 0.959 587 N CB 0.474 39.036 38.487 0.125 0.000 1.142 587 N HN 0.237 nan 8.380 nan 0.000 0.455 588 R N 0.718 121.462 120.500 0.407 0.000 2.643 588 R HA 0.427 4.768 4.340 0.001 0.000 0.270 588 R C -0.261 176.257 176.300 0.363 0.000 1.061 588 R CA -0.131 56.209 56.100 0.399 0.000 1.107 588 R CB 0.412 30.936 30.300 0.373 0.000 0.999 588 R HN 0.518 nan 8.270 nan 0.000 0.460 589 A N 1.847 124.899 122.820 0.387 0.000 2.532 589 A HA 0.553 4.874 4.320 0.001 0.000 0.290 589 A C -0.968 176.823 177.584 0.345 0.000 1.143 589 A CA -0.739 51.450 52.037 0.254 0.000 0.728 589 A CB 1.740 20.698 19.000 -0.069 0.000 1.317 589 A HN 0.396 nan 8.150 nan 0.000 0.414 590 V N 1.088 121.125 119.914 0.205 0.000 2.407 590 V HA 0.482 4.603 4.120 0.001 0.000 0.278 590 V C -0.918 175.176 176.094 0.000 0.000 1.037 590 V CA 0.035 62.468 62.300 0.223 0.000 0.900 590 V CB 0.546 32.556 31.823 0.311 0.000 0.983 590 V HN 0.648 nan 8.190 nan 0.000 0.459 591 F N 2.605 122.505 119.950 -0.084 0.000 2.497 591 F HA 0.806 5.333 4.527 0.001 0.000 0.331 591 F C 0.544 176.262 175.800 -0.136 0.000 1.060 591 F CA -0.129 57.809 58.000 -0.103 0.000 0.989 591 F CB 2.133 41.081 39.000 -0.088 0.000 1.245 591 F HN 0.508 nan 8.300 nan 0.000 0.486 592 S N 0.497 116.197 115.700 0.001 0.000 2.615 592 S HA 0.496 4.966 4.470 0.001 0.000 0.268 592 S C -1.261 173.305 174.600 -0.057 0.000 1.146 592 S CA -1.006 57.163 58.200 -0.052 0.000 0.818 592 S CB 1.044 64.204 63.200 -0.066 0.000 1.111 592 S HN 0.585 nan 8.310 nan 0.000 0.465 593 R N 1.518 121.954 120.500 -0.106 0.000 2.641 593 R HA 0.318 4.659 4.340 0.001 0.000 0.269 593 R C 1.131 177.391 176.300 -0.066 0.000 1.074 593 R CA -0.405 55.611 56.100 -0.140 0.000 1.133 593 R CB 0.368 30.475 30.300 -0.323 0.000 1.029 593 R HN 0.613 nan 8.270 nan 0.000 0.488 594 K N 1.486 121.868 120.400 -0.030 0.000 2.103 594 K HA -0.199 4.121 4.320 0.001 0.000 0.207 594 K C 1.446 178.063 176.600 0.028 0.000 1.048 594 K CA 1.829 58.121 56.287 0.008 0.000 0.930 594 K CB -0.101 32.419 32.500 0.033 0.000 0.716 594 K HN 0.724 nan 8.250 nan 0.000 0.444 595 D N 1.738 122.164 120.400 0.044 0.000 2.311 595 D HA -0.213 4.427 4.640 0.001 0.000 0.212 595 D C 0.779 177.113 176.300 0.056 0.000 0.972 595 D CA 1.189 55.235 54.000 0.076 0.000 0.887 595 D CB 0.061 40.958 40.800 0.163 0.000 0.915 595 D HN 0.406 nan 8.370 nan 0.000 0.497 596 K N -1.646 118.779 120.400 0.042 0.000 2.932 596 K HA 0.560 4.880 4.320 0.001 0.000 0.194 596 K C 0.957 177.611 176.600 0.089 0.000 1.132 596 K CA -0.065 56.270 56.287 0.079 0.000 1.071 596 K CB 0.528 33.061 32.500 0.056 0.000 0.727 596 K HN -0.038 nan 8.250 nan 0.000 0.441 597 A N 1.284 124.130 122.820 0.043 0.000 1.929 597 A HA -0.099 4.221 4.320 0.001 0.000 0.216 597 A C 1.193 178.788 177.584 0.018 0.000 1.176 597 A CA 1.819 53.860 52.037 0.006 0.000 0.628 597 A CB -0.358 18.628 19.000 -0.023 0.000 0.816 597 A HN 0.425 nan 8.150 nan 0.000 0.444 598 D N -1.269 119.164 120.400 0.054 0.000 2.144 598 D HA -0.085 4.555 4.640 0.001 0.000 0.200 598 D C 1.502 177.847 176.300 0.075 0.000 0.978 598 D CA 1.157 55.190 54.000 0.055 0.000 0.833 598 D CB -0.258 40.590 40.800 0.079 0.000 0.961 598 D HN 0.484 nan 8.370 nan 0.000 0.470 599 F N 0.628 120.578 119.950 -0.000 0.000 2.259 599 F HA -0.082 4.446 4.527 0.001 0.000 0.298 599 F C 1.896 177.699 175.800 0.005 0.000 1.088 599 F CA 0.716 58.722 58.000 0.010 0.000 1.358 599 F CB 0.067 39.076 39.000 0.016 0.000 1.040 599 F HN -0.196 nan 8.300 nan 0.000 0.505 600 V N 0.818 120.799 119.914 0.111 0.000 2.453 600 V HA -0.227 3.893 4.120 0.001 0.000 0.247 600 V C 2.551 178.591 176.094 -0.090 0.000 1.048 600 V CA 2.029 64.360 62.300 0.052 0.000 1.049 600 V CB -0.699 31.178 31.823 0.090 0.000 0.672 600 V HN 0.284 nan 8.190 nan 0.000 0.457 601 R N 0.212 120.620 120.500 -0.152 0.000 2.070 601 R HA -0.176 4.165 4.340 0.001 0.000 0.232 601 R C 2.579 178.590 176.300 -0.482 0.000 1.138 601 R CA 1.868 57.758 56.100 -0.349 0.000 0.936 601 R CB -0.366 29.766 30.300 -0.279 0.000 0.839 601 R HN 0.316 nan 8.270 nan 0.000 0.429 602 R N 0.215 120.553 120.500 -0.269 0.000 2.113 602 R HA -0.170 4.170 4.340 0.001 0.000 0.244 602 R C 2.152 178.352 176.300 -0.166 0.000 1.142 602 R CA 1.893 57.911 56.100 -0.137 0.000 0.953 602 R CB -0.253 29.959 30.300 -0.145 0.000 0.860 602 R HN 0.299 nan 8.270 nan 0.000 0.438 603 I N 0.868 121.240 120.570 -0.329 0.000 2.439 603 I HA -0.209 3.962 4.170 0.001 0.000 0.251 603 I C 2.229 178.321 176.117 -0.041 0.000 1.139 603 I CA 1.024 62.185 61.300 -0.232 0.000 1.438 603 I CB -0.789 37.006 38.000 -0.342 0.000 1.085 603 I HN 0.285 nan 8.210 nan 0.000 0.427 604 L N -0.870 120.314 121.223 -0.065 0.000 2.156 604 L HA -0.174 4.167 4.340 0.001 0.000 0.208 604 L C 2.473 179.402 176.870 0.098 0.000 1.095 604 L CA 0.794 55.657 54.840 0.037 0.000 0.770 604 L CB -0.432 41.634 42.059 0.011 0.000 0.914 604 L HN 0.051 nan 8.230 nan 0.000 0.439 605 F N 0.780 120.765 119.950 0.058 0.000 2.075 605 F HA -0.223 4.305 4.527 0.001 0.000 0.297 605 F C 2.294 178.127 175.800 0.054 0.000 1.113 605 F CA 1.515 59.544 58.000 0.047 0.000 1.218 605 F CB -1.155 37.854 39.000 0.016 0.000 0.984 605 F HN 0.212 nan 8.300 nan 0.000 0.472 606 N N -0.398 118.454 118.700 0.253 0.000 2.120 606 N HA -0.198 4.542 4.740 0.001 0.000 0.188 606 N C 1.677 177.301 175.510 0.190 0.000 1.024 606 N CA 0.992 54.140 53.050 0.164 0.000 0.852 606 N CB -0.263 38.293 38.487 0.116 0.000 1.003 606 N HN 0.271 nan 8.380 nan 0.000 0.424 607 Q N 1.068 121.021 119.800 0.254 0.000 2.224 607 Q HA -0.173 4.168 4.340 0.001 0.000 0.203 607 Q C 2.100 178.293 176.000 0.322 0.000 0.970 607 Q CA 1.181 57.232 55.803 0.412 0.000 0.865 607 Q CB -0.191 28.834 28.738 0.479 0.000 0.922 607 Q HN 0.715 nan 8.270 nan 0.000 0.445 608 Q N -0.300 119.622 119.800 0.202 0.000 2.269 608 Q HA -0.028 4.312 4.340 0.001 0.000 0.201 608 Q C 1.356 177.442 176.000 0.144 0.000 0.946 608 Q CA 0.690 56.603 55.803 0.183 0.000 0.877 608 Q CB -0.020 28.915 28.738 0.328 0.000 0.963 608 Q HN 0.338 nan 8.270 nan 0.000 0.472 609 E N 1.132 121.395 120.200 0.105 0.000 2.047 609 E HA -0.084 4.267 4.350 0.001 0.000 0.191 609 E C 2.074 178.634 176.600 -0.066 0.000 0.987 609 E CA 1.198 57.612 56.400 0.024 0.000 0.799 609 E CB 0.040 29.752 29.700 0.020 0.000 0.752 609 E HN 0.392 nan 8.360 nan 0.000 0.449 610 L N -0.669 120.475 121.223 -0.132 0.000 2.131 610 L HA -0.028 4.313 4.340 0.001 0.000 0.206 610 L C 1.178 177.632 176.870 -0.693 0.000 1.087 610 L CA 0.792 55.349 54.840 -0.472 0.000 0.767 610 L CB 0.021 41.667 42.059 -0.688 0.000 0.917 610 L HN 0.082 nan 8.230 nan 0.000 0.441 611 F N -0.611 119.316 119.950 -0.038 0.000 2.764 611 F HA 0.380 4.907 4.527 0.001 0.000 0.310 611 F C 1.400 177.067 175.800 -0.223 0.000 1.124 611 F CA -0.538 57.374 58.000 -0.148 0.000 1.252 611 F CB -0.402 38.486 39.000 -0.186 0.000 1.010 611 F HN -0.144 nan 8.300 nan 0.000 0.518 612 G N 0.473 109.295 108.800 0.038 0.000 2.873 612 G HA2 0.122 4.082 3.960 0.001 0.000 0.170 612 G HA3 0.122 4.082 3.960 0.001 0.000 0.170 612 G C 1.286 176.246 174.900 0.099 0.000 1.608 612 G CA -0.146 45.067 45.100 0.189 0.000 1.084 612 G HN 0.031 nan 8.290 nan 0.000 0.563 613 R N 0.185 120.717 120.500 0.054 0.000 2.282 613 R HA 0.042 4.382 4.340 0.001 0.000 0.195 613 R C 0.292 176.541 176.300 -0.086 0.000 0.909 613 R CA 0.038 56.121 56.100 -0.029 0.000 1.039 613 R CB -0.480 29.784 30.300 -0.059 0.000 1.015 613 R HN 0.642 nan 8.270 nan 0.000 0.513 614 N N 1.018 119.666 118.700 -0.087 0.000 2.410 614 N HA 0.253 4.993 4.740 0.001 0.000 0.281 614 N C 0.138 175.546 175.510 -0.169 0.000 1.241 614 N CA 0.376 53.345 53.050 -0.135 0.000 0.998 614 N CB 0.599 39.026 38.487 -0.100 0.000 1.376 614 N HN 0.141 nan 8.380 nan 0.000 0.490 615 G N -0.457 108.184 108.800 -0.266 0.000 2.340 615 G HA2 0.368 4.328 3.960 0.001 0.000 0.299 615 G HA3 0.368 4.328 3.960 0.001 0.000 0.299 615 G C -0.827 173.804 174.900 -0.449 0.000 1.291 615 G CA -0.885 44.047 45.100 -0.280 0.000 0.841 615 G HN 0.250 nan 8.290 nan 0.000 0.500 616 F N 0.479 120.415 119.950 -0.023 0.000 2.515 616 F HA 0.363 4.891 4.527 0.001 0.000 0.267 616 F C 1.463 177.266 175.800 0.005 0.000 0.923 616 F CA 0.813 58.807 58.000 -0.010 0.000 1.107 616 F CB 0.121 39.117 39.000 -0.008 0.000 1.175 616 F HN 0.644 nan 8.300 nan 0.000 0.742 617 E N -0.697 119.645 120.200 0.236 0.000 2.281 617 E HA 0.202 4.552 4.350 0.001 0.000 0.257 617 E C -1.304 175.378 176.600 0.137 0.000 0.971 617 E CA -0.988 55.510 56.400 0.164 0.000 0.839 617 E CB 0.888 30.677 29.700 0.147 0.000 1.238 617 E HN 0.158 nan 8.360 nan 0.000 0.412 618 Y N 1.776 122.107 120.300 0.053 0.000 2.721 618 Y HA 0.095 4.646 4.550 0.001 0.000 0.329 618 Y C -0.725 175.210 175.900 0.058 0.000 1.211 618 Y CA 0.738 58.867 58.100 0.048 0.000 1.512 618 Y CB 0.313 38.800 38.460 0.044 0.000 1.249 618 Y HN 0.360 nan 8.280 nan 0.000 0.549 619 M N 7.779 127.106 119.600 -0.455 0.000 2.346 619 M HA 0.205 4.686 4.480 0.001 0.000 0.287 619 M C -0.210 175.906 176.300 -0.307 0.000 1.100 619 M CA -0.667 54.473 55.300 -0.267 0.000 0.950 619 M CB 1.468 34.018 32.600 -0.082 0.000 1.815 619 M HN 1.005 nan 8.290 nan 0.000 0.497 620 M N 0.637 120.136 119.600 -0.168 0.000 7.319 620 M HA -0.295 4.186 4.480 0.001 0.000 0.328 620 M C -0.833 175.535 176.300 0.114 0.000 0.480 620 M CA 1.614 56.937 55.300 0.038 0.000 1.311 620 M CB -0.799 31.858 32.600 0.095 0.000 0.421 620 M HN 0.653 nan 8.290 nan 0.000 0.511 621 F N 0.654 120.682 119.950 0.129 0.000 2.601 621 F HA 0.592 5.120 4.527 0.001 0.000 0.309 621 F C -1.397 174.468 175.800 0.109 0.000 1.089 621 F CA -0.692 57.360 58.000 0.086 0.000 0.940 621 F CB 1.703 40.731 39.000 0.046 0.000 1.273 621 F HN 0.280 nan 8.300 nan 0.000 0.450 622 Q N 5.977 125.156 119.800 -1.035 0.000 2.425 622 Q HA 0.307 4.648 4.340 0.001 0.000 0.254 622 Q C 0.914 176.169 176.000 -1.242 0.000 1.032 622 Q CA -0.425 54.902 55.803 -0.793 0.000 0.798 622 Q CB 1.519 29.999 28.738 -0.429 0.000 1.210 622 Q HN 0.814 nan 8.270 nan 0.000 0.491 623 M N -0.664 118.304 119.600 -1.054 0.000 2.159 623 M HA -0.041 4.440 4.480 0.001 0.000 0.263 623 M C 0.260 176.123 176.300 -0.728 0.000 1.063 623 M CA 1.871 56.487 55.300 -1.140 0.000 1.110 623 M CB -0.175 31.467 32.600 -1.597 0.000 1.374 623 M HN 0.397 nan 8.290 nan 0.000 0.411 624 F N 1.071 120.796 119.950 -0.375 0.000 2.416 624 F HA 0.183 4.710 4.527 0.001 0.000 0.296 624 F C 1.063 176.775 175.800 -0.145 0.000 1.099 624 F CA 0.422 58.283 58.000 -0.232 0.000 1.427 624 F CB -0.430 38.419 39.000 -0.251 0.000 1.079 624 F HN 0.178 nan 8.300 nan 0.000 0.536 625 E N 1.022 121.190 120.200 -0.053 0.000 1.861 625 E HA 0.159 4.510 4.350 0.001 0.000 0.263 625 E C -0.332 176.215 176.600 -0.088 0.000 1.137 625 E CA -0.103 56.264 56.400 -0.054 0.000 0.944 625 E CB -0.102 29.551 29.700 -0.078 0.000 1.092 625 E HN -0.049 nan 8.360 nan 0.000 0.420 626 S N 2.284 117.982 115.700 -0.003 0.000 2.546 626 S HA -0.047 4.423 4.470 0.001 0.000 0.290 626 S C 1.266 175.891 174.600 0.041 0.000 1.262 626 S CA -0.029 58.188 58.200 0.027 0.000 1.083 626 S CB 0.876 64.122 63.200 0.076 0.000 0.859 626 S HN 0.570 nan 8.310 nan 0.000 0.495 627 S N 2.545 118.287 115.700 0.069 0.000 2.407 627 S HA -0.186 4.284 4.470 0.001 0.000 0.235 627 S C 1.297 175.944 174.600 0.077 0.000 1.036 627 S CA 1.308 59.563 58.200 0.093 0.000 1.013 627 S CB -0.192 63.094 63.200 0.143 0.000 0.820 627 S HN 0.854 nan 8.310 nan 0.000 0.476 628 A N 0.594 123.463 122.820 0.081 0.000 2.677 628 A HA 0.632 4.953 4.320 0.001 0.000 0.197 628 A C -0.764 176.872 177.584 0.085 0.000 1.471 628 A CA -0.424 51.663 52.037 0.082 0.000 1.527 628 A CB 0.620 19.676 19.000 0.093 0.000 1.695 628 A HN 0.069 nan 8.150 nan 0.000 0.557 629 K N 2.244 122.705 120.400 0.102 0.000 2.559 629 K HA 0.405 4.725 4.320 0.001 0.000 0.249 629 K C -1.792 174.872 176.600 0.106 0.000 0.958 629 K CA -0.447 55.903 56.287 0.105 0.000 0.901 629 K CB 0.972 33.551 32.500 0.133 0.000 1.124 629 K HN 0.520 nan 8.250 nan 0.000 0.437 630 D N 2.225 122.683 120.400 0.097 0.000 3.357 630 D HA -0.195 4.446 4.640 0.001 0.000 0.238 630 D C -0.812 175.554 176.300 0.111 0.000 1.126 630 D CA 0.852 54.915 54.000 0.105 0.000 0.984 630 D CB -0.687 40.170 40.800 0.094 0.000 0.925 630 D HN 0.388 nan 8.370 nan 0.000 0.414 631 L N 1.958 123.243 121.223 0.102 0.000 2.342 631 L HA 0.425 4.765 4.340 0.001 0.000 0.276 631 L C 1.711 178.594 176.870 0.022 0.000 0.997 631 L CA -0.819 54.068 54.840 0.078 0.000 0.838 631 L CB 1.431 43.541 42.059 0.085 0.000 1.224 631 L HN 0.302 nan 8.230 nan 0.000 0.416 632 L N 1.042 122.247 121.223 -0.029 0.000 3.737 632 L HA -0.342 3.999 4.340 0.001 0.000 0.370 632 L C -0.333 176.219 176.870 -0.530 0.000 0.709 632 L CA 1.632 56.322 54.840 -0.251 0.000 2.983 632 L CB -1.097 40.690 42.059 -0.454 0.000 0.704 632 L HN 0.415 nan 8.230 nan 0.000 0.728 633 F N -1.470 118.570 119.950 0.151 0.000 2.726 633 F HA 0.553 5.080 4.527 0.001 0.000 0.324 633 F C 0.724 176.619 175.800 0.159 0.000 1.140 633 F CA -0.631 57.481 58.000 0.187 0.000 0.964 633 F CB 1.218 40.346 39.000 0.212 0.000 1.399 633 F HN -0.307 nan 8.300 nan 0.000 0.491 634 S N 0.601 116.552 115.700 0.417 0.000 2.593 634 S HA 0.079 4.550 4.470 0.001 0.000 0.269 634 S C 0.334 175.054 174.600 0.200 0.000 1.334 634 S CA -0.450 57.903 58.200 0.254 0.000 1.015 634 S CB 0.649 64.019 63.200 0.283 0.000 0.912 634 S HN 0.508 nan 8.310 nan 0.000 0.541 635 D N 1.366 121.825 120.400 0.099 0.000 2.178 635 D HA -0.097 4.544 4.640 0.001 0.000 0.202 635 D C 1.396 177.726 176.300 0.050 0.000 0.974 635 D CA 1.009 55.050 54.000 0.069 0.000 0.841 635 D CB -0.120 40.701 40.800 0.034 0.000 0.953 635 D HN 0.684 nan 8.370 nan 0.000 0.478 636 D N -0.242 120.171 120.400 0.022 0.000 2.360 636 D HA -0.043 4.598 4.640 0.001 0.000 0.210 636 D C 0.270 176.654 176.300 0.140 0.000 1.047 636 D CA 0.082 54.091 54.000 0.015 0.000 0.854 636 D CB -0.455 40.280 40.800 -0.108 0.000 0.936 636 D HN -0.131 nan 8.370 nan 0.000 0.514 637 T N 1.347 116.054 114.554 0.255 0.000 2.939 637 T HA -0.006 4.345 4.350 0.001 0.000 0.319 637 T C 0.996 175.608 174.700 -0.145 0.000 1.082 637 T CA 0.254 62.444 62.100 0.150 0.000 1.133 637 T CB 1.526 70.418 68.868 0.040 0.000 1.019 637 T HN 0.073 nan 8.240 nan 0.000 0.548 638 E N -0.233 119.758 120.200 -0.349 0.000 2.357 638 E HA 0.193 4.544 4.350 0.001 0.000 0.202 638 E C 0.785 176.921 176.600 -0.773 0.000 0.855 638 E CA 0.332 56.495 56.400 -0.394 0.000 1.048 638 E CB 0.420 29.987 29.700 -0.220 0.000 1.037 638 E HN 0.747 nan 8.360 nan 0.000 0.499 639 c N -0.161 117.910 118.600 -0.880 0.000 3.311 639 c HA 0.642 5.212 4.570 0.001 0.000 0.325 639 c C -1.335 172.359 174.090 -0.659 0.000 1.352 639 c CA -1.081 54.699 56.329 -0.916 0.000 1.308 639 c CB 0.173 42.473 42.510 -0.349 0.000 1.619 639 c HN 0.176 nan 8.230 nan 0.000 0.469 640 L N 3.216 124.257 121.223 -0.304 0.000 2.289 640 L HA 0.559 4.899 4.340 0.001 0.000 0.285 640 L C 0.546 177.419 176.870 0.006 0.000 1.049 640 L CA 0.220 55.003 54.840 -0.094 0.000 0.804 640 L CB 1.666 43.769 42.059 0.074 0.000 1.195 640 L HN 0.834 nan 8.230 nan 0.000 0.428 641 S N 1.572 117.271 115.700 -0.003 0.000 2.681 641 S HA 0.402 4.873 4.470 0.001 0.000 0.299 641 S C -0.134 174.523 174.600 0.096 0.000 1.113 641 S CA -0.821 57.406 58.200 0.046 0.000 1.013 641 S CB 1.382 64.581 63.200 -0.002 0.000 1.076 641 S HN 0.534 nan 8.310 nan 0.000 0.534 642 N N 0.746 119.519 118.700 0.121 0.000 2.297 642 N HA 0.176 4.917 4.740 0.001 0.000 0.232 642 N C 0.974 176.536 175.510 0.087 0.000 1.311 642 N CA 0.006 53.136 53.050 0.133 0.000 0.897 642 N CB 0.119 38.680 38.487 0.123 0.000 1.137 642 N HN 0.446 nan 8.380 nan 0.000 0.449 643 L N -0.109 121.158 121.223 0.073 0.000 2.298 643 L HA 0.009 4.350 4.340 0.001 0.000 0.209 643 L C 0.867 177.787 176.870 0.083 0.000 1.084 643 L CA 0.271 55.155 54.840 0.073 0.000 0.816 643 L CB -0.142 41.928 42.059 0.019 0.000 0.967 643 L HN 0.443 nan 8.230 nan 0.000 0.460 644 Q N -0.076 119.763 119.800 0.065 0.000 1.351 644 Q HA -0.301 4.039 4.340 0.001 0.000 0.305 644 Q C 0.909 176.938 176.000 0.049 0.000 0.944 644 Q CA 1.883 57.718 55.803 0.053 0.000 0.833 644 Q CB -1.386 27.381 28.738 0.048 0.000 3.590 644 Q HN 0.253 nan 8.270 nan 0.000 0.523 645 D N 1.537 121.964 120.400 0.045 0.000 2.144 645 D HA -0.051 4.590 4.640 0.001 0.000 0.200 645 D C 0.283 176.615 176.300 0.054 0.000 0.978 645 D CA 1.000 55.024 54.000 0.041 0.000 0.833 645 D CB -0.080 40.739 40.800 0.032 0.000 0.961 645 D HN 0.155 nan 8.370 nan 0.000 0.470 646 K N 1.820 122.268 120.400 0.080 0.000 2.046 646 K HA 0.011 4.331 4.320 0.001 0.000 0.248 646 K C 1.074 177.736 176.600 0.103 0.000 1.123 646 K CA 0.256 56.619 56.287 0.127 0.000 1.145 646 K CB -0.665 31.977 32.500 0.237 0.000 1.028 646 K HN 0.281 nan 8.250 nan 0.000 0.354 647 T N -2.041 112.551 114.554 0.064 0.000 3.021 647 T HA -0.001 4.350 4.350 0.001 0.000 0.245 647 T C 0.941 175.658 174.700 0.029 0.000 1.028 647 T CA 0.270 62.387 62.100 0.027 0.000 1.139 647 T CB 0.105 68.987 68.868 0.024 0.000 0.884 647 T HN 0.273 nan 8.240 nan 0.000 0.457 648 T N 1.630 116.222 114.554 0.063 0.000 2.902 648 T HA 0.378 4.728 4.350 0.001 0.000 0.280 648 T C 0.673 175.473 174.700 0.166 0.000 0.992 648 T CA -0.451 61.705 62.100 0.092 0.000 1.015 648 T CB 0.963 69.846 68.868 0.024 0.000 1.044 648 T HN 0.453 nan 8.240 nan 0.000 0.520 649 Y N 0.371 120.775 120.300 0.173 0.000 2.439 649 Y HA 0.202 4.753 4.550 0.001 0.000 0.292 649 Y C 1.853 177.902 175.900 0.249 0.000 1.130 649 Y CA 0.776 59.056 58.100 0.301 0.000 1.254 649 Y CB -0.374 38.267 38.460 0.301 0.000 1.000 649 Y HN 0.425 nan 8.280 nan 0.000 0.554 650 K N 0.393 120.393 120.400 -0.667 0.000 2.167 650 K HA -0.048 4.272 4.320 0.001 0.000 0.203 650 K C 1.991 178.508 176.600 -0.137 0.000 1.052 650 K CA 1.712 57.684 56.287 -0.526 0.000 0.956 650 K CB -0.177 32.013 32.500 -0.517 0.000 0.735 650 K HN 0.572 nan 8.250 nan 0.000 0.451 651 T N -2.169 112.357 114.554 -0.047 0.000 3.044 651 T HA -0.070 4.280 4.350 0.001 0.000 0.255 651 T C 1.815 176.558 174.700 0.072 0.000 1.073 651 T CA 0.140 62.251 62.100 0.017 0.000 1.125 651 T CB -0.326 68.558 68.868 0.027 0.000 0.908 651 T HN 0.170 nan 8.240 nan 0.000 0.480 652 Y N 2.061 122.383 120.300 0.037 0.000 2.220 652 Y HA 0.276 4.826 4.550 0.001 0.000 0.291 652 Y C 1.835 177.795 175.900 0.100 0.000 1.129 652 Y CA 0.842 58.987 58.100 0.076 0.000 1.161 652 Y CB -0.338 38.196 38.460 0.122 0.000 0.997 652 Y HN 0.147 nan 8.280 nan 0.000 0.522 653 L N -0.122 121.124 121.223 0.039 0.000 2.418 653 L HA 0.211 4.552 4.340 0.001 0.000 0.218 653 L C 1.149 178.036 176.870 0.028 0.000 1.125 653 L CA 0.385 55.242 54.840 0.029 0.000 0.835 653 L CB -0.977 41.295 42.059 0.354 0.000 0.953 653 L HN 0.412 nan 8.230 nan 0.000 0.454 654 G N 0.206 109.014 108.800 0.013 0.000 2.787 654 G HA2 -0.185 3.776 3.960 0.001 0.000 0.685 654 G HA3 -0.185 3.776 3.960 0.001 0.000 0.685 654 G C -2.328 172.596 174.900 0.040 0.000 1.437 654 G CA -0.485 44.621 45.100 0.010 0.000 0.872 654 G HN 0.015 nan 8.290 nan 0.000 0.566 655 P HA -0.021 nan 4.420 nan 0.000 0.222 655 P C 1.677 178.990 177.300 0.020 0.000 1.153 655 P CA 1.416 64.528 63.100 0.019 0.000 0.798 655 P CB 0.124 31.830 31.700 0.010 0.000 0.796 656 Q N -0.997 118.821 119.800 0.029 0.000 2.002 656 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 656 Q C 2.015 178.051 176.000 0.060 0.000 0.988 656 Q CA 1.700 57.525 55.803 0.036 0.000 0.843 656 Q CB -0.603 28.155 28.738 0.034 0.000 0.908 656 Q HN 0.194 nan 8.270 nan 0.000 0.420 657 Y N -0.148 120.119 120.300 -0.055 0.000 2.365 657 Y HA -0.079 4.472 4.550 0.001 0.000 0.293 657 Y C 1.808 177.673 175.900 -0.059 0.000 1.119 657 Y CA 0.580 58.638 58.100 -0.069 0.000 1.203 657 Y CB -0.091 38.319 38.460 -0.083 0.000 1.026 657 Y HN 0.213 nan 8.280 nan 0.000 0.549 658 L N 0.068 121.280 121.223 -0.019 0.000 1.989 658 L HA -0.246 4.095 4.340 0.001 0.000 0.211 658 L C 2.320 179.113 176.870 -0.129 0.000 1.071 658 L CA 2.719 57.529 54.840 -0.051 0.000 0.749 658 L CB -1.195 40.906 42.059 0.070 0.000 0.890 658 L HN 0.258 nan 8.230 nan 0.000 0.431 659 T N -0.492 114.016 114.554 -0.076 0.000 2.699 659 T HA -0.250 4.100 4.350 0.001 0.000 0.268 659 T C 1.817 176.442 174.700 -0.125 0.000 1.036 659 T CA 1.696 63.758 62.100 -0.064 0.000 1.147 659 T CB -0.491 68.357 68.868 -0.033 0.000 0.862 659 T HN 0.243 nan 8.240 nan 0.000 0.446 660 L N 0.040 121.139 121.223 -0.208 0.000 2.191 660 L HA 0.066 4.407 4.340 0.001 0.000 0.212 660 L C 2.288 178.953 176.870 -0.342 0.000 1.103 660 L CA 1.473 56.160 54.840 -0.255 0.000 0.769 660 L CB -0.436 41.446 42.059 -0.296 0.000 0.908 660 L HN 0.168 nan 8.230 nan 0.000 0.438 661 M N -0.943 118.351 119.600 -0.511 0.000 2.236 661 M HA -0.102 4.378 4.480 0.001 0.000 0.266 661 M C 1.592 177.729 176.300 -0.271 0.000 1.070 661 M CA 1.524 56.491 55.300 -0.555 0.000 1.137 661 M CB -0.345 31.642 32.600 -1.022 0.000 1.378 661 M HN 0.200 nan 8.290 nan 0.000 0.426 662 D N -0.432 119.868 120.400 -0.166 0.000 2.269 662 D HA -0.092 4.549 4.640 0.001 0.000 0.208 662 D C 1.211 177.527 176.300 0.026 0.000 0.963 662 D CA 0.911 54.908 54.000 -0.005 0.000 0.864 662 D CB -0.588 40.246 40.800 0.055 0.000 0.936 662 D HN 0.593 nan 8.370 nan 0.000 0.505 663 N N -0.354 118.357 118.700 0.019 0.000 2.459 663 N HA -0.042 4.698 4.740 0.001 0.000 0.181 663 N C 1.328 176.948 175.510 0.184 0.000 1.046 663 N CA 0.084 53.188 53.050 0.091 0.000 0.904 663 N CB 0.056 38.583 38.487 0.066 0.000 0.964 663 N HN 0.140 nan 8.380 nan 0.000 0.444 664 F N 1.399 121.295 119.950 -0.091 0.000 2.619 664 F HA 0.110 4.638 4.527 0.001 0.000 0.293 664 F C 1.893 177.606 175.800 -0.144 0.000 1.119 664 F CA -0.378 57.540 58.000 -0.136 0.000 1.445 664 F CB 0.298 39.214 39.000 -0.140 0.000 1.119 664 F HN -0.165 nan 8.300 nan 0.000 0.573 665 R N 0.991 121.475 120.500 -0.026 0.000 2.316 665 R HA -0.364 3.977 4.340 0.001 0.000 0.218 665 R C 1.793 177.972 176.300 -0.201 0.000 1.089 665 R CA 2.733 58.783 56.100 -0.082 0.000 0.737 665 R CB -1.440 28.844 30.300 -0.026 0.000 0.950 665 R HN 0.380 nan 8.270 nan 0.000 0.354 666 Q N -0.369 119.296 119.800 -0.226 0.000 1.985 666 Q HA -0.141 4.200 4.340 0.001 0.000 0.207 666 Q C 2.490 178.259 176.000 -0.385 0.000 0.996 666 Q CA 2.169 57.820 55.803 -0.254 0.000 0.851 666 Q CB -0.978 27.622 28.738 -0.230 0.000 0.921 666 Q HN 0.494 nan 8.270 nan 0.000 0.418 667 c N 0.281 118.489 118.600 -0.653 0.000 2.409 667 c HA -0.044 4.527 4.570 0.001 0.000 0.284 667 c C 1.298 174.932 174.090 -0.760 0.000 1.354 667 c CA -0.326 55.560 56.329 -0.738 0.000 1.787 667 c CB -1.084 40.838 42.510 -0.979 0.000 1.900 667 c HN 0.397 nan 8.230 nan 0.000 0.520 668 L N 2.075 122.803 121.223 -0.825 0.000 2.312 668 L HA 0.166 4.507 4.340 0.001 0.000 0.287 668 L C -0.069 176.689 176.870 -0.185 0.000 1.091 668 L CA 0.196 54.784 54.840 -0.420 0.000 0.846 668 L CB 0.361 42.303 42.059 -0.194 0.000 1.219 668 L HN 0.076 nan 8.230 nan 0.000 0.439 669 S N 2.518 118.148 115.700 -0.116 0.000 3.315 669 S HA 0.105 4.576 4.470 0.001 0.000 0.195 669 S C 0.142 174.719 174.600 -0.038 0.000 1.394 669 S CA -0.232 57.925 58.200 -0.071 0.000 0.983 669 S CB 0.393 63.558 63.200 -0.058 0.000 1.370 669 S HN 0.649 nan 8.310 nan 0.000 0.491 670 S N 1.706 117.396 115.700 -0.017 0.000 2.439 670 S HA 0.191 4.662 4.470 0.001 0.000 0.282 670 S C 1.024 175.628 174.600 0.007 0.000 1.170 670 S CA -0.626 57.583 58.200 0.015 0.000 1.054 670 S CB 0.469 63.697 63.200 0.047 0.000 0.956 670 S HN 0.621 nan 8.310 nan 0.000 0.490 671 E N 3.558 123.760 120.200 0.004 0.000 2.427 671 E HA -0.053 4.298 4.350 0.001 0.000 0.196 671 E C 1.354 177.952 176.600 -0.003 0.000 1.028 671 E CA 0.341 56.738 56.400 -0.006 0.000 0.864 671 E CB 0.030 29.721 29.700 -0.016 0.000 0.813 671 E HN 0.637 nan 8.360 nan 0.000 0.514 672 L N 0.623 121.852 121.223 0.009 0.000 2.102 672 L HA -0.022 4.318 4.340 0.001 0.000 0.202 672 L C 2.066 178.944 176.870 0.014 0.000 1.076 672 L CA 0.817 55.661 54.840 0.007 0.000 0.761 672 L CB -0.187 41.882 42.059 0.016 0.000 0.921 672 L HN 0.088 nan 8.230 nan 0.000 0.444 673 L N -0.060 121.175 121.223 0.020 0.000 2.129 673 L HA -0.238 4.102 4.340 0.001 0.000 0.212 673 L C 1.743 178.610 176.870 -0.006 0.000 1.087 673 L CA 1.897 56.739 54.840 0.003 0.000 0.757 673 L CB -0.895 41.169 42.059 0.009 0.000 0.896 673 L HN 0.333 nan 8.230 nan 0.000 0.434 674 D N -0.349 120.057 120.400 0.010 0.000 2.144 674 D HA -0.093 4.548 4.640 0.001 0.000 0.200 674 D C 2.224 178.573 176.300 0.082 0.000 0.978 674 D CA 1.401 55.422 54.000 0.036 0.000 0.833 674 D CB -0.227 40.593 40.800 0.034 0.000 0.961 674 D HN 0.489 nan 8.370 nan 0.000 0.470 675 A N 0.108 122.955 122.820 0.045 0.000 1.872 675 A HA -0.138 4.183 4.320 0.001 0.000 0.214 675 A C 2.323 179.965 177.584 0.096 0.000 1.187 675 A CA 1.046 53.108 52.037 0.042 0.000 0.614 675 A CB -0.868 18.127 19.000 -0.009 0.000 0.826 675 A HN 0.360 nan 8.150 nan 0.000 0.442 676 c N -0.264 118.377 118.600 0.068 0.000 2.432 676 c HA 0.004 4.575 4.570 0.001 0.000 0.282 676 c C 2.260 176.413 174.090 0.104 0.000 1.388 676 c CA 1.475 57.853 56.329 0.081 0.000 1.777 676 c CB -1.274 41.261 42.510 0.041 0.000 1.882 676 c HN 0.754 nan 8.230 nan 0.000 0.520 677 T N -3.639 110.962 114.554 0.078 0.000 3.252 677 T HA 0.187 4.537 4.350 0.001 0.000 0.286 677 T C 0.829 175.569 174.700 0.066 0.000 1.013 677 T CA -0.265 61.858 62.100 0.038 0.000 0.914 677 T CB -0.482 68.340 68.868 -0.077 0.000 1.131 677 T HN 0.335 nan 8.240 nan 0.000 0.529 678 F N 2.715 122.657 119.950 -0.013 0.000 2.060 678 F HA 0.081 4.609 4.527 0.001 0.000 0.295 678 F C 1.286 177.074 175.800 -0.020 0.000 1.120 678 F CA 0.845 58.811 58.000 -0.056 0.000 1.205 678 F CB -0.356 38.569 39.000 -0.125 0.000 0.986 678 F HN 0.262 nan 8.300 nan 0.000 0.470 679 H N 2.541 121.725 119.070 0.190 0.000 3.191 679 H HA 0.073 4.630 4.556 0.001 0.000 0.261 679 H C -0.326 175.031 175.328 0.048 0.000 1.013 679 H CA 0.247 56.398 56.048 0.171 0.000 1.457 679 H CB -0.033 29.953 29.762 0.374 0.000 1.535 679 H HN 0.022 nan 8.280 nan 0.000 0.518 680 K N 4.558 124.990 120.400 0.053 0.000 2.262 680 K HA 0.216 4.536 4.320 0.001 0.000 0.282 680 K C -0.588 176.070 176.600 0.097 0.000 1.066 680 K CA -0.252 55.987 56.287 -0.080 0.000 0.901 680 K CB 0.321 32.763 32.500 -0.098 0.000 1.089 680 K HN 0.470 nan 8.250 nan 0.000 0.476 681 Y N 0.000 120.323 120.300 0.038 0.000 2.660 681 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 681 Y CA 0.000 58.094 58.100 -0.009 0.000 1.940 681 Y CB 0.000 38.253 38.460 -0.345 0.000 1.050 681 Y HN 0.000 nan 8.280 nan 0.000 0.758