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 2is4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDVSYLLDSL NDKQREAVAA PRSNLLVLAG AGSGKTRVLV HRIAWLMSVE DATA SEQUENCE NCSPYSIMAV TFTNKAAAEM RHRIGQLMGT SQGGMWVGTF HGLAHRLLRA DATA SEQUENCE HHMDANLPQD FQILDSEDQL RLLKRLIKAM NLDEKQWPPR QAMWYINSQK DATA SEQUENCE DEGLRPHHIQ XXXNPVEQTW QKVYQAYQEA CDRAGLVDFA ELLLRAHELW DATA SEQUENCE LNKPHILQHY RERFTNILVD EFQDTNNIQY AWIRLLAGDT GKVMIVGDDD DATA SEQUENCE QSIYGWRGAQ VENIQRFLND FPGAETIRLE QNYRSTSNIL SAANALIENN DATA SEQUENCE NGRLGKKLWT DGADGEPISL YCAFNELDEA RFVVNRIKTW QDNGGALAEC DATA SEQUENCE AILYRSNAQS RVLEEALLQA SMPYRIYGGM RFFERQEIKD ALSYLRLIVN DATA SEQUENCE RNDDAAFERV VNTPTRGIGD RTLDVVRQTS RDRQLTLWQA CRELLQEKAL DATA SEQUENCE AGRAASALQR FMELIDALAQ ETADMPLHVQ TDRVIKDSGL RTMYEQEKGE DATA SEQUENCE KGQTRIENLE ELVTATRQFX XXXXXXXXMP LQAFLSHAAL EAGEXXXXTW DATA SEQUENCE QDAVQLMTLH SAKGLEFPQV FIVGMEEGMF PSQMSLDEGG RLEEERRLAY DATA SEQUENCE VGVTRAMQKL TLTYAETRRL YGKEVYHRPS RFIGELPEEC VEEVRLRATV DATA SEQUENCE SRPVSHQRMG TP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.544 32.600 -0.093 0.000 1.302 2 D N 1.998 122.256 120.400 -0.236 0.000 2.551 2 D HA 0.620 5.260 4.640 0.001 0.000 0.248 2 D C 1.612 177.971 176.300 0.099 0.000 1.238 2 D CA 0.931 54.831 54.000 -0.166 0.000 1.236 2 D CB -1.282 39.333 40.800 -0.309 0.000 1.133 2 D HN 2.122 nan 8.370 nan 0.000 0.504 3 V N 1.589 121.595 119.914 0.153 0.000 2.295 3 V HA -0.440 3.680 4.120 0.001 0.000 0.262 3 V C 2.988 179.281 176.094 0.332 0.000 1.098 3 V CA 4.251 66.695 62.300 0.239 0.000 1.095 3 V CB -1.467 30.414 31.823 0.096 0.000 0.704 3 V HN 1.043 nan 8.190 nan 0.000 0.454 4 S N 0.370 116.207 115.700 0.227 0.000 2.393 4 S HA -0.404 4.066 4.470 0.001 0.000 0.234 4 S C 2.043 176.816 174.600 0.288 0.000 1.064 4 S CA 2.641 60.964 58.200 0.204 0.000 1.088 4 S CB -1.459 61.811 63.200 0.117 0.000 0.939 4 S HN 1.332 nan 8.310 nan 0.000 0.448 5 Y N 0.977 121.316 120.300 0.065 0.000 2.337 5 Y HA 0.282 4.832 4.550 0.000 0.000 0.293 5 Y C 2.184 178.148 175.900 0.107 0.000 1.123 5 Y CA 0.152 58.291 58.100 0.065 0.000 1.201 5 Y CB -0.478 38.002 38.460 0.033 0.000 1.011 5 Y HN 0.134 nan 8.280 nan 0.000 0.545 6 L N 0.909 122.106 121.223 -0.044 0.000 2.349 6 L HA -0.170 4.171 4.340 0.001 0.000 0.220 6 L C 1.707 178.679 176.870 0.169 0.000 1.130 6 L CA 1.116 55.876 54.840 -0.133 0.000 0.791 6 L CB -0.258 41.842 42.059 0.067 0.000 0.918 6 L HN 0.489 nan 8.230 nan 0.000 0.444 7 L N -2.444 118.873 121.223 0.158 0.000 2.749 7 L HA 0.075 4.416 4.340 0.001 0.000 0.242 7 L C 1.694 178.598 176.870 0.056 0.000 1.103 7 L CA -0.156 54.743 54.840 0.098 0.000 0.906 7 L CB -0.189 41.940 42.059 0.116 0.000 1.228 7 L HN 0.061 nan 8.230 nan 0.000 0.517 8 D N 1.315 121.767 120.400 0.086 0.000 2.133 8 D HA -0.184 4.457 4.640 0.001 0.000 0.192 8 D C 2.191 178.502 176.300 0.018 0.000 1.001 8 D CA 2.155 56.194 54.000 0.064 0.000 0.844 8 D CB 0.105 40.959 40.800 0.091 0.000 0.944 8 D HN 0.329 nan 8.370 nan 0.000 0.447 9 S N 1.012 116.704 115.700 -0.012 0.000 2.348 9 S HA -0.095 4.375 4.470 0.001 0.000 0.221 9 S C 1.460 175.976 174.600 -0.139 0.000 1.033 9 S CA 0.257 58.406 58.200 -0.085 0.000 1.010 9 S CB -0.761 62.359 63.200 -0.133 0.000 0.891 9 S HN 0.215 nan 8.310 nan 0.000 0.442 10 L N 3.171 124.294 121.223 -0.165 0.000 2.536 10 L HA 0.081 4.421 4.340 0.001 0.000 0.294 10 L C 0.565 177.391 176.870 -0.073 0.000 1.257 10 L CA -0.235 54.502 54.840 -0.172 0.000 0.850 10 L CB -0.472 41.487 42.059 -0.168 0.000 1.105 10 L HN 0.436 nan 8.230 nan 0.000 0.517 11 N N -0.626 118.049 118.700 -0.042 0.000 2.530 11 N HA 0.170 4.910 4.740 0.001 0.000 0.283 11 N C 0.181 175.700 175.510 0.015 0.000 1.238 11 N CA -0.713 52.361 53.050 0.040 0.000 0.971 11 N CB 0.487 39.055 38.487 0.135 0.000 1.195 11 N HN 0.430 nan 8.380 nan 0.000 0.583 12 D N -0.064 120.359 120.400 0.039 0.000 2.230 12 D HA -0.197 4.443 4.640 0.001 0.000 0.189 12 D C 1.342 177.639 176.300 -0.004 0.000 1.006 12 D CA 1.770 55.782 54.000 0.020 0.000 0.853 12 D CB -0.073 40.751 40.800 0.040 0.000 0.959 12 D HN 0.484 nan 8.370 nan 0.000 0.449 13 K N 0.443 120.849 120.400 0.010 0.000 2.147 13 K HA -0.082 4.238 4.320 0.001 0.000 0.205 13 K C 2.241 178.814 176.600 -0.045 0.000 1.049 13 K CA 0.784 57.065 56.287 -0.010 0.000 0.936 13 K CB -0.335 32.173 32.500 0.013 0.000 0.722 13 K HN 0.405 nan 8.250 nan 0.000 0.446 14 Q N 0.149 119.916 119.800 -0.055 0.000 2.046 14 Q HA -0.054 4.286 4.340 0.001 0.000 0.200 14 Q C 2.285 178.205 176.000 -0.134 0.000 0.975 14 Q CA 1.090 56.830 55.803 -0.104 0.000 0.836 14 Q CB -0.074 28.582 28.738 -0.138 0.000 0.896 14 Q HN 0.223 nan 8.270 nan 0.000 0.428 15 R N 0.728 121.156 120.500 -0.121 0.000 2.096 15 R HA -0.200 4.140 4.340 0.001 0.000 0.240 15 R C 2.157 178.340 176.300 -0.195 0.000 1.139 15 R CA 1.536 57.541 56.100 -0.157 0.000 0.952 15 R CB -0.243 29.995 30.300 -0.103 0.000 0.854 15 R HN 0.356 nan 8.270 nan 0.000 0.436 16 E N -0.090 120.032 120.200 -0.130 0.000 2.333 16 E HA -0.168 4.182 4.350 0.001 0.000 0.198 16 E C 1.431 177.945 176.600 -0.144 0.000 1.007 16 E CA 1.052 57.379 56.400 -0.121 0.000 0.845 16 E CB 0.113 29.772 29.700 -0.067 0.000 0.766 16 E HN 0.393 nan 8.360 nan 0.000 0.507 17 A N -0.242 122.487 122.820 -0.152 0.000 2.014 17 A HA 0.067 4.388 4.320 0.001 0.000 0.210 17 A C 2.158 179.615 177.584 -0.211 0.000 1.188 17 A CA 0.295 52.246 52.037 -0.142 0.000 0.731 17 A CB 0.105 19.043 19.000 -0.104 0.000 0.858 17 A HN 0.168 nan 8.150 nan 0.000 0.464 18 V N -0.099 119.646 119.914 -0.282 0.000 2.302 18 V HA -0.014 4.107 4.120 0.001 0.000 0.243 18 V C 2.128 177.683 176.094 -0.898 0.000 1.036 18 V CA 1.593 63.660 62.300 -0.388 0.000 1.020 18 V CB -0.836 30.816 31.823 -0.285 0.000 0.657 18 V HN 0.492 nan 8.190 nan 0.000 0.453 19 A N 0.100 122.292 122.820 -1.046 0.000 3.197 19 A HA 0.711 5.031 4.320 0.001 0.000 0.263 19 A C 0.461 177.671 177.584 -0.622 0.000 1.524 19 A CA 0.413 51.483 52.037 -1.611 0.000 1.176 19 A CB -0.805 17.428 19.000 -1.278 0.000 1.096 19 A HN 0.476 nan 8.150 nan 0.000 0.655 20 A N 0.626 123.195 122.820 -0.418 0.000 2.299 20 A HA 0.822 5.142 4.320 0.001 0.000 0.332 20 A C -2.745 174.854 177.584 0.025 0.000 1.131 20 A CA -1.827 50.134 52.037 -0.128 0.000 0.844 20 A CB 0.319 19.257 19.000 -0.104 0.000 1.251 20 A HN 0.324 nan 8.150 nan 0.000 0.486 21 P HA 0.179 nan 4.420 nan 0.000 0.269 21 P C -0.656 176.700 177.300 0.092 0.000 1.215 21 P CA -0.094 63.064 63.100 0.097 0.000 0.780 21 P CB 0.352 32.091 31.700 0.065 0.000 0.898 22 R N 1.651 122.215 120.500 0.107 0.000 2.402 22 R HA 0.320 4.660 4.340 0.001 0.000 0.331 22 R C 0.460 176.804 176.300 0.073 0.000 1.040 22 R CA 0.429 56.586 56.100 0.096 0.000 0.980 22 R CB -0.308 30.047 30.300 0.092 0.000 0.967 22 R HN 0.563 nan 8.270 nan 0.000 0.440 23 S N 2.340 118.084 115.700 0.074 0.000 2.643 23 S HA 0.239 4.710 4.470 0.001 0.000 0.270 23 S C -1.226 173.430 174.600 0.093 0.000 1.166 23 S CA -1.185 57.057 58.200 0.070 0.000 0.815 23 S CB 1.282 64.513 63.200 0.052 0.000 1.139 23 S HN 0.485 nan 8.310 nan 0.000 0.472 24 N N 1.233 119.995 118.700 0.103 0.000 2.420 24 N HA 0.519 5.260 4.740 0.001 0.000 0.262 24 N C -0.919 174.690 175.510 0.166 0.000 1.144 24 N CA -0.047 53.100 53.050 0.162 0.000 0.952 24 N CB 0.676 39.221 38.487 0.097 0.000 1.081 24 N HN 0.599 nan 8.380 nan 0.000 0.480 25 L N 2.607 123.953 121.223 0.205 0.000 2.388 25 L HA 0.623 4.963 4.340 0.001 0.000 0.264 25 L C -1.608 175.294 176.870 0.054 0.000 0.998 25 L CA -1.057 53.858 54.840 0.125 0.000 0.817 25 L CB 1.961 44.045 42.059 0.041 0.000 1.338 25 L HN 0.358 nan 8.230 nan 0.000 0.414 26 L N 5.060 126.284 121.223 0.002 0.000 2.349 26 L HA 0.699 5.039 4.340 0.001 0.000 0.278 26 L C -1.465 175.335 176.870 -0.116 0.000 0.996 26 L CA -0.362 54.376 54.840 -0.171 0.000 0.825 26 L CB 1.825 43.793 42.059 -0.152 0.000 1.243 26 L HN 0.319 nan 8.230 nan 0.000 0.412 27 V N 6.224 126.057 119.914 -0.135 0.000 2.318 27 V HA 0.398 4.518 4.120 0.001 0.000 0.271 27 V C -0.232 175.816 176.094 -0.077 0.000 1.030 27 V CA -0.390 61.860 62.300 -0.084 0.000 0.844 27 V CB 0.974 32.753 31.823 -0.073 0.000 1.015 27 V HN 0.676 nan 8.190 nan 0.000 0.460 28 L N 5.330 126.520 121.223 -0.055 0.000 2.280 28 L HA 0.907 5.247 4.340 0.001 0.000 0.287 28 L C 0.062 176.922 176.870 -0.016 0.000 1.023 28 L CA 0.175 54.993 54.840 -0.037 0.000 0.819 28 L CB 0.980 43.018 42.059 -0.035 0.000 1.212 28 L HN 0.798 nan 8.230 nan 0.000 0.420 29 A N 3.256 126.073 122.820 -0.005 0.000 2.605 29 A HA 0.719 5.039 4.320 0.001 0.000 0.294 29 A C -0.172 177.427 177.584 0.026 0.000 1.062 29 A CA -0.206 51.834 52.037 0.005 0.000 0.682 29 A CB 0.440 19.437 19.000 -0.005 0.000 1.278 29 A HN 0.889 nan 8.150 nan 0.000 0.410 30 G N 0.003 108.826 108.800 0.039 0.000 2.712 30 G HA2 0.603 4.564 3.960 0.001 0.000 0.258 30 G HA3 0.603 4.564 3.960 0.001 0.000 0.258 30 G C 0.639 175.585 174.900 0.078 0.000 1.241 30 G CA 0.281 45.438 45.100 0.096 0.000 0.923 30 G HN 2.022 nan 8.290 nan 0.000 0.548 31 A N -1.246 121.641 122.820 0.112 0.000 2.445 31 A HA 0.536 4.856 4.320 0.001 0.000 0.242 31 A C 1.612 179.169 177.584 -0.046 0.000 1.075 31 A CA 1.008 53.045 52.037 -0.001 0.000 0.777 31 A CB -0.354 18.574 19.000 -0.120 0.000 1.013 31 A HN 2.611 nan 8.150 nan 0.000 0.493 32 G N 0.924 109.692 108.800 -0.053 0.000 2.249 32 G HA2 -0.221 3.739 3.960 0.001 0.000 0.273 32 G HA3 -0.221 3.739 3.960 0.001 0.000 0.273 32 G C 0.685 175.575 174.900 -0.017 0.000 1.036 32 G CA 1.090 46.160 45.100 -0.050 0.000 0.824 32 G HN 2.034 nan 8.290 nan 0.000 0.504 33 S N -1.456 114.237 115.700 -0.013 0.000 2.557 33 S HA 0.480 4.951 4.470 0.001 0.000 0.223 33 S C 1.803 176.415 174.600 0.019 0.000 0.969 33 S CA 0.844 59.052 58.200 0.015 0.000 0.927 33 S CB 0.778 63.960 63.200 -0.029 0.000 0.806 33 S HN 2.234 nan 8.310 nan 0.000 0.489 34 G N 1.787 110.566 108.800 -0.036 0.000 2.144 34 G HA2 -0.262 3.698 3.960 0.001 0.000 0.218 34 G HA3 -0.262 3.698 3.960 0.001 0.000 0.218 34 G C 0.718 175.559 174.900 -0.099 0.000 0.988 34 G CA 0.284 45.318 45.100 -0.110 0.000 0.659 34 G HN 0.475 nan 8.290 nan 0.000 0.522 35 K N -0.317 120.047 120.400 -0.061 0.000 2.032 35 K HA -0.092 4.229 4.320 0.001 0.000 0.209 35 K C 2.535 179.107 176.600 -0.048 0.000 1.048 35 K CA 1.938 58.196 56.287 -0.050 0.000 0.927 35 K CB -0.326 32.158 32.500 -0.026 0.000 0.712 35 K HN 0.352 nan 8.250 nan 0.000 0.441 36 T N 0.668 115.197 114.554 -0.041 0.000 2.915 36 T HA -0.130 4.220 4.350 0.001 0.000 0.269 36 T C 1.791 176.471 174.700 -0.032 0.000 1.071 36 T CA 1.314 63.398 62.100 -0.027 0.000 1.132 36 T CB -0.104 68.749 68.868 -0.026 0.000 0.878 36 T HN 0.221 nan 8.240 nan 0.000 0.479 37 R N 0.780 121.233 120.500 -0.079 0.000 2.062 37 R HA 0.028 4.368 4.340 0.001 0.000 0.229 37 R C 2.260 178.487 176.300 -0.122 0.000 1.128 37 R CA 1.008 57.036 56.100 -0.120 0.000 0.960 37 R CB -0.903 29.245 30.300 -0.253 0.000 0.855 37 R HN 0.160 nan 8.270 nan 0.000 0.432 38 V N 1.242 121.074 119.914 -0.136 0.000 2.255 38 V HA -0.262 3.858 4.120 0.001 0.000 0.247 38 V C 2.325 178.405 176.094 -0.023 0.000 1.051 38 V CA 2.141 64.376 62.300 -0.107 0.000 1.018 38 V CB -0.515 31.246 31.823 -0.103 0.000 0.641 38 V HN 0.475 nan 8.190 nan 0.000 0.445 39 L N -0.533 120.681 121.223 -0.014 0.000 2.042 39 L HA -0.179 4.161 4.340 0.001 0.000 0.210 39 L C 2.356 179.252 176.870 0.044 0.000 1.076 39 L CA 1.809 56.656 54.840 0.011 0.000 0.749 39 L CB -0.211 41.851 42.059 0.006 0.000 0.893 39 L HN 0.170 nan 8.230 nan 0.000 0.432 40 V N -0.447 119.503 119.914 0.060 0.000 2.358 40 V HA -0.305 3.815 4.120 0.001 0.000 0.246 40 V C 2.392 178.535 176.094 0.083 0.000 1.047 40 V CA 1.992 64.333 62.300 0.069 0.000 1.035 40 V CB -0.872 30.996 31.823 0.074 0.000 0.658 40 V HN 0.559 nan 8.190 nan 0.000 0.452 41 H N -0.588 118.455 119.070 -0.046 0.000 2.423 41 H HA -0.126 4.430 4.556 0.000 0.000 0.297 41 H C 2.560 177.906 175.328 0.030 0.000 1.075 41 H CA 1.504 57.528 56.048 -0.040 0.000 1.342 41 H CB 0.201 29.913 29.762 -0.083 0.000 1.395 41 H HN 0.188 nan 8.280 nan 0.000 0.530 42 R N 1.782 122.363 120.500 0.134 0.000 2.091 42 R HA -0.116 4.225 4.340 0.001 0.000 0.238 42 R C 2.221 178.619 176.300 0.165 0.000 1.136 42 R CA 1.176 57.344 56.100 0.113 0.000 0.959 42 R CB -0.984 29.346 30.300 0.050 0.000 0.856 42 R HN 0.321 nan 8.270 nan 0.000 0.437 43 I N 0.276 120.912 120.570 0.109 0.000 2.127 43 I HA -0.305 3.865 4.170 0.001 0.000 0.241 43 I C 2.337 178.513 176.117 0.098 0.000 1.075 43 I CA 1.622 62.979 61.300 0.095 0.000 1.334 43 I CB -0.605 37.429 38.000 0.057 0.000 1.040 43 I HN 0.323 nan 8.210 nan 0.000 0.405 44 A N 0.626 123.485 122.820 0.065 0.000 1.908 44 A HA -0.264 4.056 4.320 0.001 0.000 0.218 44 A C 2.269 179.928 177.584 0.125 0.000 1.181 44 A CA 1.465 53.529 52.037 0.046 0.000 0.627 44 A CB -1.125 17.836 19.000 -0.065 0.000 0.818 44 A HN 0.739 nan 8.150 nan 0.000 0.445 45 W N 0.680 121.976 121.300 -0.006 0.000 2.355 45 W HA -0.134 4.527 4.660 0.000 0.000 0.309 45 W C 1.538 178.072 176.519 0.026 0.000 1.206 45 W CA 1.609 58.965 57.345 0.018 0.000 1.284 45 W CB -0.408 29.067 29.460 0.025 0.000 1.145 45 W HN 0.298 nan 8.180 nan 0.000 0.502 46 L N 0.276 121.665 121.223 0.276 0.000 2.353 46 L HA -0.227 4.113 4.340 0.001 0.000 0.220 46 L C 2.428 179.328 176.870 0.050 0.000 1.133 46 L CA 0.921 55.858 54.840 0.162 0.000 0.798 46 L CB -0.495 41.662 42.059 0.163 0.000 0.922 46 L HN 0.048 nan 8.230 nan 0.000 0.445 47 M N -1.719 117.901 119.600 0.033 0.000 2.545 47 M HA -0.047 4.433 4.480 0.001 0.000 0.264 47 M C 2.270 178.547 176.300 -0.038 0.000 1.155 47 M CA 1.044 56.350 55.300 0.010 0.000 1.162 47 M CB 0.324 32.944 32.600 0.034 0.000 1.330 47 M HN 0.253 nan 8.290 nan 0.000 0.479 48 S N -1.175 114.473 115.700 -0.087 0.000 2.475 48 S HA 0.087 4.558 4.470 0.001 0.000 0.224 48 S C 1.575 176.038 174.600 -0.227 0.000 1.042 48 S CA 0.018 58.146 58.200 -0.121 0.000 0.935 48 S CB -0.302 62.849 63.200 -0.082 0.000 0.801 48 S HN 0.186 nan 8.310 nan 0.000 0.509 49 V N 2.281 121.944 119.914 -0.418 0.000 2.341 49 V HA 0.081 4.202 4.120 0.001 0.000 0.240 49 V C 2.370 178.271 176.094 -0.322 0.000 1.035 49 V CA 1.279 63.245 62.300 -0.557 0.000 1.033 49 V CB -0.505 30.530 31.823 -1.313 0.000 0.678 49 V HN 0.361 nan 8.190 nan 0.000 0.464 50 E N 0.296 120.341 120.200 -0.258 0.000 2.516 50 E HA -0.055 4.296 4.350 0.001 0.000 0.199 50 E C 0.396 176.963 176.600 -0.056 0.000 1.069 50 E CA -0.064 56.285 56.400 -0.084 0.000 0.876 50 E CB -0.525 29.185 29.700 0.016 0.000 0.843 50 E HN 0.503 nan 8.360 nan 0.000 0.530 51 N N 0.548 119.200 118.700 -0.080 0.000 2.708 51 N HA -0.190 4.550 4.740 0.001 0.000 0.251 51 N C -0.495 175.007 175.510 -0.012 0.000 1.017 51 N CA 0.580 53.602 53.050 -0.046 0.000 0.742 51 N CB -1.627 36.832 38.487 -0.047 0.000 0.943 51 N HN 0.183 nan 8.380 nan 0.000 0.539 52 C N 0.020 119.323 119.300 0.005 0.000 2.520 52 C HA 0.386 4.847 4.460 0.001 0.000 0.376 52 C C 1.501 176.520 174.990 0.048 0.000 1.268 52 C CA -0.547 58.489 59.018 0.030 0.000 2.414 52 C CB 1.408 29.178 27.740 0.050 0.000 2.521 52 C HN 0.512 nan 8.230 nan 0.000 0.618 53 S N 1.265 117.004 115.700 0.065 0.000 2.584 53 S HA 0.249 4.720 4.470 0.001 0.000 0.273 53 S C -1.696 172.993 174.600 0.148 0.000 1.311 53 S CA -0.887 57.380 58.200 0.113 0.000 1.034 53 S CB 0.863 64.134 63.200 0.119 0.000 0.939 53 S HN 0.544 nan 8.310 nan 0.000 0.513 54 P HA -0.015 nan 4.420 nan 0.000 0.220 54 P C 0.313 177.676 177.300 0.104 0.000 1.148 54 P CA 1.013 64.177 63.100 0.108 0.000 0.803 54 P CB -0.057 31.677 31.700 0.057 0.000 0.782 55 Y N -0.203 120.147 120.300 0.084 0.000 2.574 55 Y HA -0.077 4.473 4.550 0.000 0.000 0.294 55 Y C 2.165 178.067 175.900 0.003 0.000 1.142 55 Y CA 1.297 59.436 58.100 0.065 0.000 1.314 55 Y CB -0.920 37.533 38.460 -0.011 0.000 0.991 55 Y HN 0.091 nan 8.280 nan 0.000 0.555 56 S N -1.283 114.517 115.700 0.167 0.000 2.540 56 S HA 0.233 4.703 4.470 0.001 0.000 0.218 56 S C 0.244 175.029 174.600 0.307 0.000 0.977 56 S CA -0.262 58.014 58.200 0.127 0.000 0.918 56 S CB -0.437 62.800 63.200 0.060 0.000 0.806 56 S HN 0.196 nan 8.310 nan 0.000 0.496 57 I N 2.559 123.305 120.570 0.294 0.000 2.321 57 I HA 0.404 4.574 4.170 0.001 0.000 0.291 57 I C -0.267 175.935 176.117 0.142 0.000 0.998 57 I CA -0.290 61.135 61.300 0.208 0.000 1.227 57 I CB 1.615 39.696 38.000 0.134 0.000 1.368 57 I HN 0.243 nan 8.210 nan 0.000 0.466 58 M N 6.805 126.404 119.600 -0.002 0.000 2.078 58 M HA 0.609 5.089 4.480 0.001 0.000 0.320 58 M C -1.120 175.159 176.300 -0.035 0.000 0.969 58 M CA -0.529 54.672 55.300 -0.165 0.000 0.929 58 M CB 1.365 33.656 32.600 -0.515 0.000 1.504 58 M HN 0.652 nan 8.290 nan 0.000 0.419 59 A N 5.396 128.220 122.820 0.006 0.000 2.256 59 A HA 0.654 4.974 4.320 0.001 0.000 0.317 59 A C -1.260 176.306 177.584 -0.030 0.000 1.318 59 A CA -0.576 51.463 52.037 0.003 0.000 0.894 59 A CB 0.972 19.984 19.000 0.020 0.000 1.165 59 A HN 0.715 nan 8.150 nan 0.000 0.525 60 V N 2.481 122.348 119.914 -0.079 0.000 2.769 60 V HA 0.922 5.042 4.120 0.001 0.000 0.312 60 V C -0.162 175.784 176.094 -0.246 0.000 1.061 60 V CA 0.209 62.378 62.300 -0.218 0.000 0.931 60 V CB 2.303 33.892 31.823 -0.389 0.000 1.010 60 V HN 1.087 nan 8.190 nan 0.000 0.433 61 T N 3.133 117.538 114.554 -0.249 0.000 2.762 61 T HA 0.355 4.706 4.350 0.001 0.000 0.301 61 T C -0.179 174.646 174.700 0.208 0.000 1.299 61 T CA 0.077 62.184 62.100 0.011 0.000 1.005 61 T CB 1.413 70.322 68.868 0.067 0.000 1.377 61 T HN 0.598 nan 8.240 nan 0.000 0.504 62 F N 2.206 122.301 119.950 0.242 0.000 2.118 62 F HA 0.239 4.766 4.527 0.000 0.000 0.293 62 F C 1.428 177.260 175.800 0.053 0.000 1.102 62 F CA 1.589 59.714 58.000 0.209 0.000 1.247 62 F CB -0.438 38.570 39.000 0.012 0.000 1.017 62 F HN 0.624 nan 8.300 nan 0.000 0.475 63 T N -0.830 113.571 114.554 -0.256 0.000 2.909 63 T HA 0.195 4.545 4.350 0.001 0.000 0.286 63 T C 1.000 175.586 174.700 -0.189 0.000 1.002 63 T CA -0.660 61.208 62.100 -0.387 0.000 1.074 63 T CB 1.062 69.823 68.868 -0.179 0.000 0.984 63 T HN 0.210 nan 8.240 nan 0.000 0.495 64 N N 1.281 119.860 118.700 -0.201 0.000 2.094 64 N HA -0.129 4.611 4.740 0.001 0.000 0.191 64 N C 1.718 177.188 175.510 -0.067 0.000 1.023 64 N CA 1.156 54.136 53.050 -0.116 0.000 0.857 64 N CB -0.052 38.372 38.487 -0.105 0.000 1.013 64 N HN 0.554 nan 8.380 nan 0.000 0.426 65 K N 1.195 121.559 120.400 -0.061 0.000 2.057 65 K HA -0.015 4.305 4.320 0.001 0.000 0.207 65 K C 2.048 178.620 176.600 -0.047 0.000 1.049 65 K CA 0.850 57.102 56.287 -0.058 0.000 0.931 65 K CB -0.588 31.871 32.500 -0.068 0.000 0.714 65 K HN 0.143 nan 8.250 nan 0.000 0.440 66 A N 1.599 124.404 122.820 -0.025 0.000 1.877 66 A HA -0.087 4.234 4.320 0.001 0.000 0.216 66 A C 2.463 180.043 177.584 -0.007 0.000 1.186 66 A CA 2.179 54.215 52.037 -0.003 0.000 0.620 66 A CB -0.684 18.341 19.000 0.043 0.000 0.822 66 A HN 0.305 nan 8.150 nan 0.000 0.443 67 A N -0.074 122.736 122.820 -0.017 0.000 1.858 67 A HA 0.142 4.463 4.320 0.001 0.000 0.216 67 A C 2.546 180.125 177.584 -0.008 0.000 1.190 67 A CA 2.275 54.301 52.037 -0.018 0.000 0.617 67 A CB -1.200 17.777 19.000 -0.039 0.000 0.827 67 A HN 1.159 nan 8.150 nan 0.000 0.443 68 A N -0.310 122.502 122.820 -0.013 0.000 1.948 68 A HA -0.224 4.096 4.320 0.001 0.000 0.220 68 A C 1.955 179.550 177.584 0.019 0.000 1.177 68 A CA 2.376 54.416 52.037 0.005 0.000 0.636 68 A CB -0.527 18.470 19.000 -0.004 0.000 0.815 68 A HN 0.584 nan 8.150 nan 0.000 0.449 69 E N -0.054 120.142 120.200 -0.007 0.000 2.077 69 E HA -0.175 4.175 4.350 0.001 0.000 0.193 69 E C 1.972 178.595 176.600 0.038 0.000 0.989 69 E CA 1.886 58.283 56.400 -0.005 0.000 0.800 69 E CB -0.385 29.289 29.700 -0.043 0.000 0.746 69 E HN 0.661 nan 8.360 nan 0.000 0.452 70 M N -0.390 119.224 119.600 0.024 0.000 2.099 70 M HA -0.108 4.372 4.480 0.001 0.000 0.262 70 M C 2.552 178.874 176.300 0.036 0.000 1.067 70 M CA 1.747 57.063 55.300 0.027 0.000 1.124 70 M CB -0.351 32.259 32.600 0.016 0.000 1.353 70 M HN 0.053 nan 8.290 nan 0.000 0.410 71 R N -0.366 120.157 120.500 0.039 0.000 2.133 71 R HA -0.248 4.092 4.340 0.001 0.000 0.247 71 R C 2.385 178.718 176.300 0.054 0.000 1.151 71 R CA 1.891 58.016 56.100 0.040 0.000 0.971 71 R CB -0.500 29.825 30.300 0.042 0.000 0.866 71 R HN 0.505 nan 8.270 nan 0.000 0.447 72 H N 0.276 119.339 119.070 -0.011 0.000 2.333 72 H HA -0.022 4.534 4.556 0.000 0.000 0.302 72 H C 1.847 177.162 175.328 -0.022 0.000 1.075 72 H CA 1.573 57.612 56.048 -0.015 0.000 1.348 72 H CB 0.168 29.916 29.762 -0.024 0.000 1.393 72 H HN 0.224 nan 8.280 nan 0.000 0.509 73 R N 0.075 120.578 120.500 0.005 0.000 2.092 73 R HA -0.062 4.278 4.340 0.001 0.000 0.231 73 R C 2.637 178.882 176.300 -0.092 0.000 1.119 73 R CA 1.073 57.142 56.100 -0.051 0.000 0.970 73 R CB -0.070 30.246 30.300 0.027 0.000 0.864 73 R HN 0.358 nan 8.270 nan 0.000 0.440 74 I N 0.304 120.839 120.570 -0.058 0.000 2.099 74 I HA -0.215 3.955 4.170 0.001 0.000 0.239 74 I C 2.545 178.612 176.117 -0.083 0.000 1.066 74 I CA 1.705 62.973 61.300 -0.054 0.000 1.324 74 I CB -0.795 37.194 38.000 -0.019 0.000 1.037 74 I HN 0.298 nan 8.210 nan 0.000 0.401 75 G N -0.211 108.529 108.800 -0.100 0.000 2.479 75 G HA2 -0.206 3.754 3.960 0.001 0.000 0.220 75 G HA3 -0.206 3.754 3.960 0.001 0.000 0.220 75 G C 1.561 176.369 174.900 -0.154 0.000 1.115 75 G CA 0.404 45.438 45.100 -0.110 0.000 0.757 75 G HN 0.340 nan 8.290 nan 0.000 0.560 76 Q N -0.731 118.933 119.800 -0.225 0.000 2.250 76 Q HA 0.148 4.489 4.340 0.001 0.000 0.200 76 Q C 2.436 178.368 176.000 -0.113 0.000 0.941 76 Q CA 0.359 56.040 55.803 -0.203 0.000 0.872 76 Q CB -0.188 28.383 28.738 -0.278 0.000 0.965 76 Q HN 0.511 nan 8.270 nan 0.000 0.480 77 L N -0.510 120.642 121.223 -0.118 0.000 2.127 77 L HA 0.089 4.429 4.340 0.001 0.000 0.203 77 L C 1.694 178.528 176.870 -0.060 0.000 1.080 77 L CA 1.505 56.266 54.840 -0.131 0.000 0.768 77 L CB 0.019 41.932 42.059 -0.242 0.000 0.924 77 L HN 0.058 nan 8.230 nan 0.000 0.444 78 M N -0.514 119.057 119.600 -0.049 0.000 2.356 78 M HA 0.388 4.868 4.480 0.001 0.000 0.262 78 M C 0.471 176.772 176.300 0.002 0.000 1.097 78 M CA 0.324 55.622 55.300 -0.003 0.000 0.991 78 M CB 0.351 32.945 32.600 -0.009 0.000 1.450 78 M HN 0.241 nan 8.290 nan 0.000 0.495 79 G N 1.674 110.465 108.800 -0.016 0.000 3.276 79 G HA2 -0.250 3.710 3.960 0.001 0.000 0.679 79 G HA3 -0.250 3.710 3.960 0.001 0.000 0.679 79 G C 0.699 175.592 174.900 -0.012 0.000 0.911 79 G CA 0.047 45.138 45.100 -0.014 0.000 0.797 79 G HN 0.536 nan 8.290 nan 0.000 0.503 80 T N -0.006 114.538 114.554 -0.017 0.000 2.684 80 T HA -0.312 4.038 4.350 0.001 0.000 0.259 80 T C 1.863 176.568 174.700 0.007 0.000 1.086 80 T CA 2.160 64.258 62.100 -0.005 0.000 1.155 80 T CB -0.772 68.101 68.868 0.009 0.000 0.848 80 T HN 1.861 nan 8.240 nan 0.000 0.464 81 S N 2.249 117.957 115.700 0.014 0.000 3.211 81 S HA 0.161 4.632 4.470 0.001 0.000 0.375 81 S C 0.128 174.741 174.600 0.022 0.000 0.945 81 S CA 0.094 58.307 58.200 0.022 0.000 1.951 81 S CB -0.559 62.657 63.200 0.025 0.000 1.183 81 S HN 0.626 nan 8.310 nan 0.000 0.649 82 Q N 1.466 121.276 119.800 0.018 0.000 3.180 82 Q HA 0.434 4.774 4.340 0.001 0.000 0.317 82 Q C 1.146 177.134 176.000 -0.020 0.000 0.824 82 Q CA -0.227 55.584 55.803 0.012 0.000 0.926 82 Q CB 0.781 29.526 28.738 0.011 0.000 1.487 82 Q HN 0.956 nan 8.270 nan 0.000 0.389 83 G N 1.245 110.039 108.800 -0.010 0.000 2.514 83 G HA2 -0.297 3.663 3.960 0.001 0.000 0.799 83 G HA3 -0.297 3.663 3.960 0.001 0.000 0.799 83 G C 0.753 175.448 174.900 -0.342 0.000 1.372 83 G CA 0.212 45.253 45.100 -0.098 0.000 0.906 83 G HN 1.134 nan 8.290 nan 0.000 0.525 84 G N -0.554 107.573 108.800 -1.121 0.000 3.343 84 G HA2 0.450 4.410 3.960 0.001 0.000 0.264 84 G HA3 0.450 4.410 3.960 0.001 0.000 0.264 84 G C 0.133 174.846 174.900 -0.311 0.000 0.884 84 G CA 0.122 44.711 45.100 -0.853 0.000 1.916 84 G HN 0.588 nan 8.290 nan 0.000 0.618 85 M N 1.223 120.800 119.600 -0.038 0.000 2.209 85 M HA 0.457 4.937 4.480 0.001 0.000 0.355 85 M C -1.077 175.426 176.300 0.338 0.000 1.171 85 M CA -0.961 54.430 55.300 0.151 0.000 1.069 85 M CB 1.384 34.027 32.600 0.072 0.000 1.622 85 M HN 0.227 nan 8.290 nan 0.000 0.459 86 W N 5.259 126.570 121.300 0.019 0.000 2.342 86 W HA 0.482 5.142 4.660 0.001 0.000 0.310 86 W C -1.143 175.331 176.519 -0.074 0.000 1.128 86 W CA -0.617 56.702 57.345 -0.044 0.000 1.322 86 W CB 0.667 30.029 29.460 -0.164 0.000 1.251 86 W HN 0.254 nan 8.180 nan 0.000 0.439 87 V N 4.541 124.505 119.914 0.082 0.000 2.443 87 V HA 0.950 5.070 4.120 0.001 0.000 0.293 87 V C 0.316 176.392 176.094 -0.029 0.000 1.021 87 V CA -0.537 61.777 62.300 0.023 0.000 0.848 87 V CB 0.931 32.767 31.823 0.022 0.000 0.998 87 V HN 0.658 nan 8.190 nan 0.000 0.424 88 G N 3.286 112.058 108.800 -0.048 0.000 2.450 88 G HA2 0.611 4.571 3.960 0.001 0.000 0.273 88 G HA3 0.611 4.571 3.960 0.001 0.000 0.273 88 G C -0.468 174.376 174.900 -0.092 0.000 1.221 88 G CA 0.258 45.315 45.100 -0.072 0.000 0.900 88 G HN 0.781 nan 8.290 nan 0.000 0.483 89 T N -1.851 112.650 114.554 -0.088 0.000 2.948 89 T HA 0.610 4.961 4.350 0.001 0.000 0.285 89 T C 0.880 175.527 174.700 -0.088 0.000 1.019 89 T CA -0.367 61.690 62.100 -0.072 0.000 1.013 89 T CB 1.431 70.274 68.868 -0.041 0.000 1.117 89 T HN 0.216 nan 8.240 nan 0.000 0.533 90 F N 0.665 120.594 119.950 -0.034 0.000 2.026 90 F HA -0.041 4.486 4.527 0.000 0.000 0.296 90 F C 2.706 178.323 175.800 -0.306 0.000 1.133 90 F CA 2.073 59.936 58.000 -0.227 0.000 1.188 90 F CB -0.911 37.954 39.000 -0.226 0.000 0.968 90 F HN 0.709 nan 8.300 nan 0.000 0.476 91 H N -0.835 118.250 119.070 0.026 0.000 2.390 91 H HA -0.095 4.461 4.556 0.000 0.000 0.298 91 H C 2.422 177.736 175.328 -0.023 0.000 1.106 91 H CA 1.297 57.327 56.048 -0.030 0.000 1.297 91 H CB -1.021 28.729 29.762 -0.021 0.000 1.375 91 H HN 0.323 nan 8.280 nan 0.000 0.509 92 G N 0.265 109.113 108.800 0.080 0.000 2.404 92 G HA2 -0.175 3.786 3.960 0.001 0.000 0.215 92 G HA3 -0.175 3.786 3.960 0.001 0.000 0.215 92 G C 1.618 176.521 174.900 0.006 0.000 1.174 92 G CA 0.728 45.855 45.100 0.045 0.000 0.780 92 G HN 0.291 nan 8.290 nan 0.000 0.537 93 L N 0.634 121.816 121.223 -0.068 0.000 2.093 93 L HA -0.009 4.331 4.340 0.001 0.000 0.208 93 L C 3.398 180.261 176.870 -0.012 0.000 1.085 93 L CA 0.896 55.699 54.840 -0.062 0.000 0.755 93 L CB -0.488 41.613 42.059 0.070 0.000 0.904 93 L HN 0.324 nan 8.230 nan 0.000 0.435 94 A N -0.866 121.864 122.820 -0.149 0.000 1.933 94 A HA -0.274 4.046 4.320 0.001 0.000 0.218 94 A C 2.222 179.821 177.584 0.025 0.000 1.175 94 A CA 1.639 53.558 52.037 -0.198 0.000 0.628 94 A CB -0.907 17.872 19.000 -0.369 0.000 0.814 94 A HN 0.508 nan 8.150 nan 0.000 0.444 95 H N -0.788 118.274 119.070 -0.014 0.000 2.299 95 H HA -0.096 4.460 4.556 0.000 0.000 0.302 95 H C 2.405 177.789 175.328 0.093 0.000 1.078 95 H CA 1.470 57.570 56.048 0.086 0.000 1.323 95 H CB -0.099 29.720 29.762 0.094 0.000 1.381 95 H HN 0.455 nan 8.280 nan 0.000 0.498 96 R N 0.441 120.917 120.500 -0.041 0.000 2.139 96 R HA -0.148 4.193 4.340 0.001 0.000 0.243 96 R C 2.439 178.746 176.300 0.011 0.000 1.145 96 R CA 1.321 57.337 56.100 -0.141 0.000 0.976 96 R CB -0.076 30.030 30.300 -0.322 0.000 0.866 96 R HN 0.355 nan 8.270 nan 0.000 0.449 97 L N 0.133 121.428 121.223 0.121 0.000 1.982 97 L HA -0.165 4.176 4.340 0.001 0.000 0.206 97 L C 2.397 179.366 176.870 0.166 0.000 1.078 97 L CA 1.119 56.100 54.840 0.237 0.000 0.749 97 L CB -0.600 41.590 42.059 0.217 0.000 0.894 97 L HN 0.221 nan 8.230 nan 0.000 0.436 98 L N -0.543 120.730 121.223 0.083 0.000 2.197 98 L HA -0.314 4.026 4.340 0.001 0.000 0.215 98 L C 3.024 179.903 176.870 0.014 0.000 1.095 98 L CA 1.047 55.886 54.840 -0.003 0.000 0.764 98 L CB -0.740 41.234 42.059 -0.143 0.000 0.897 98 L HN 0.153 nan 8.230 nan 0.000 0.436 99 R N -0.206 120.343 120.500 0.083 0.000 2.057 99 R HA 0.096 4.437 4.340 0.001 0.000 0.229 99 R C 2.110 178.497 176.300 0.145 0.000 1.136 99 R CA 1.031 57.231 56.100 0.167 0.000 0.952 99 R CB -0.996 29.309 30.300 0.010 0.000 0.848 99 R HN 0.534 nan 8.270 nan 0.000 0.430 100 A N 0.114 122.951 122.820 0.027 0.000 2.261 100 A HA 0.023 4.344 4.320 0.001 0.000 0.208 100 A C 0.264 177.678 177.584 -0.284 0.000 1.223 100 A CA 0.751 52.733 52.037 -0.093 0.000 0.833 100 A CB -0.157 18.752 19.000 -0.153 0.000 0.830 100 A HN 0.584 nan 8.150 nan 0.000 0.483 101 H N -1.408 117.796 119.070 0.223 0.000 3.233 101 H HA 0.050 4.606 4.556 0.000 0.000 0.232 101 H C 0.984 176.356 175.328 0.074 0.000 1.322 101 H CA 0.109 56.238 56.048 0.134 0.000 1.043 101 H CB -0.643 29.209 29.762 0.150 0.000 2.572 101 H HN 0.776 nan 8.280 nan 0.000 0.597 102 H N -0.401 118.730 119.070 0.102 0.000 2.352 102 H HA -0.097 4.459 4.556 0.000 0.000 0.299 102 H C 1.568 176.917 175.328 0.035 0.000 1.097 102 H CA 0.911 56.970 56.048 0.019 0.000 1.311 102 H CB 0.024 29.813 29.762 0.045 0.000 1.377 102 H HN 0.120 nan 8.280 nan 0.000 0.504 103 M N 1.443 120.801 119.600 -0.403 0.000 2.082 103 M HA -0.154 4.326 4.480 0.001 0.000 0.258 103 M C 1.806 178.070 176.300 -0.060 0.000 1.071 103 M CA 1.387 56.550 55.300 -0.228 0.000 1.103 103 M CB -0.813 31.632 32.600 -0.259 0.000 1.307 103 M HN 0.289 nan 8.290 nan 0.000 0.409 104 D N 0.186 120.578 120.400 -0.014 0.000 2.218 104 D HA -0.039 4.601 4.640 0.001 0.000 0.204 104 D C 1.768 178.081 176.300 0.022 0.000 0.976 104 D CA 1.355 55.371 54.000 0.027 0.000 0.853 104 D CB 0.064 40.890 40.800 0.044 0.000 0.939 104 D HN 0.379 nan 8.370 nan 0.000 0.481 105 A N 0.799 123.631 122.820 0.020 0.000 2.123 105 A HA -0.063 4.257 4.320 0.001 0.000 0.214 105 A C 1.084 178.655 177.584 -0.021 0.000 1.152 105 A CA 0.775 52.807 52.037 -0.007 0.000 0.728 105 A CB -0.171 18.810 19.000 -0.032 0.000 0.814 105 A HN 0.243 nan 8.150 nan 0.000 0.464 106 N N -2.138 116.558 118.700 -0.007 0.000 2.869 106 N HA -0.127 4.613 4.740 0.001 0.000 0.249 106 N C -0.751 174.762 175.510 0.006 0.000 1.104 106 N CA 0.794 53.844 53.050 0.001 0.000 0.760 106 N CB -2.042 36.444 38.487 -0.002 0.000 1.108 106 N HN 0.398 nan 8.380 nan 0.000 0.555 107 L N 0.256 121.489 121.223 0.017 0.000 2.342 107 L HA 0.696 5.036 4.340 0.001 0.000 0.271 107 L C -1.760 175.217 176.870 0.179 0.000 1.008 107 L CA -1.960 52.895 54.840 0.024 0.000 0.818 107 L CB 1.708 43.650 42.059 -0.195 0.000 1.296 107 L HN -0.042 nan 8.230 nan 0.000 0.427 108 P HA -0.054 nan 4.420 nan 0.000 0.272 108 P C -0.481 176.921 177.300 0.171 0.000 1.240 108 P CA -0.303 62.921 63.100 0.207 0.000 0.791 108 P CB 0.723 32.502 31.700 0.132 0.000 0.978 109 Q N 0.175 119.975 119.800 0.000 0.000 2.557 109 Q HA -0.089 4.251 4.340 0.001 0.000 0.217 109 Q C -0.184 175.719 176.000 -0.163 0.000 0.978 109 Q CA 0.927 56.450 55.803 -0.466 0.000 0.950 109 Q CB -0.128 28.442 28.738 -0.278 0.000 0.991 109 Q HN 0.336 nan 8.270 nan 0.000 0.533 110 D N -0.351 120.049 120.400 0.000 0.000 2.530 110 D HA 0.026 4.667 4.640 0.001 0.000 0.253 110 D C -0.277 175.978 176.300 -0.075 0.000 1.338 110 D CA -0.287 53.678 54.000 -0.058 0.000 0.806 110 D CB -0.087 40.680 40.800 -0.054 0.000 1.160 110 D HN 0.253 nan 8.370 nan 0.000 0.514 111 F N 2.246 122.180 119.950 -0.027 0.000 2.480 111 F HA 0.013 4.540 4.527 0.000 0.000 0.409 111 F C 0.546 176.351 175.800 0.009 0.000 0.979 111 F CA -0.451 57.549 58.000 -0.001 0.000 1.184 111 F CB 0.249 39.262 39.000 0.022 0.000 0.925 111 F HN -0.259 nan 8.300 nan 0.000 0.543 112 Q N 5.012 124.768 119.800 -0.073 0.000 2.241 112 Q HA 0.516 4.856 4.340 0.001 0.000 0.254 112 Q C -0.795 175.150 176.000 -0.091 0.000 0.917 112 Q CA -0.645 55.072 55.803 -0.142 0.000 0.919 112 Q CB 1.177 29.872 28.738 -0.072 0.000 1.237 112 Q HN 0.771 nan 8.270 nan 0.000 0.434 113 I N 4.274 124.746 120.570 -0.163 0.000 2.416 113 I HA 0.094 4.264 4.170 0.001 0.000 0.288 113 I C -0.375 175.607 176.117 -0.225 0.000 1.051 113 I CA -0.667 60.520 61.300 -0.189 0.000 1.375 113 I CB 0.669 38.505 38.000 -0.272 0.000 1.407 113 I HN 0.542 nan 8.210 nan 0.000 0.516 114 L N 8.246 129.321 121.223 -0.248 0.000 2.282 114 L HA 0.223 4.563 4.340 0.001 0.000 0.287 114 L C -0.048 176.585 176.870 -0.395 0.000 1.075 114 L CA -0.313 54.401 54.840 -0.210 0.000 0.839 114 L CB 0.064 42.074 42.059 -0.081 0.000 1.219 114 L HN 0.541 nan 8.230 nan 0.000 0.434 115 D N 1.594 121.810 120.400 -0.307 0.000 2.377 115 D HA 0.058 4.699 4.640 0.001 0.000 0.245 115 D C 1.069 177.356 176.300 -0.022 0.000 1.196 115 D CA -0.248 53.606 54.000 -0.244 0.000 0.962 115 D CB 0.651 41.457 40.800 0.010 0.000 1.127 115 D HN 0.359 nan 8.370 nan 0.000 0.471 116 S N -0.681 115.119 115.700 0.167 0.000 2.389 116 S HA -0.280 4.191 4.470 0.001 0.000 0.231 116 S C 1.503 176.155 174.600 0.086 0.000 1.052 116 S CA 1.782 60.072 58.200 0.151 0.000 1.053 116 S CB -0.360 62.952 63.200 0.187 0.000 0.886 116 S HN 0.680 nan 8.310 nan 0.000 0.456 117 E N 0.529 120.774 120.200 0.076 0.000 2.006 117 E HA -0.180 4.170 4.350 0.001 0.000 0.192 117 E C 1.579 178.207 176.600 0.047 0.000 0.993 117 E CA 1.446 57.879 56.400 0.056 0.000 0.808 117 E CB -0.118 29.612 29.700 0.050 0.000 0.764 117 E HN 0.371 nan 8.360 nan 0.000 0.449 118 D N 0.478 120.902 120.400 0.039 0.000 2.116 118 D HA -0.248 4.393 4.640 0.001 0.000 0.193 118 D C 1.934 178.272 176.300 0.064 0.000 0.998 118 D CA 1.113 55.140 54.000 0.045 0.000 0.836 118 D CB -0.546 40.272 40.800 0.030 0.000 0.951 118 D HN 0.313 nan 8.370 nan 0.000 0.449 119 Q N -0.130 119.706 119.800 0.060 0.000 2.096 119 Q HA -0.212 4.128 4.340 0.001 0.000 0.208 119 Q C 2.278 178.300 176.000 0.035 0.000 0.993 119 Q CA 1.222 57.073 55.803 0.081 0.000 0.862 119 Q CB -0.234 28.536 28.738 0.053 0.000 0.915 119 Q HN 0.204 nan 8.270 nan 0.000 0.416 120 L N 0.782 122.023 121.223 0.030 0.000 2.046 120 L HA -0.168 4.172 4.340 0.001 0.000 0.208 120 L C 2.339 179.235 176.870 0.044 0.000 1.077 120 L CA 1.697 56.552 54.840 0.025 0.000 0.747 120 L CB -0.322 41.760 42.059 0.038 0.000 0.896 120 L HN 0.127 nan 8.230 nan 0.000 0.432 121 R N -0.823 119.710 120.500 0.055 0.000 2.073 121 R HA -0.165 4.175 4.340 0.001 0.000 0.234 121 R C 2.306 178.653 176.300 0.080 0.000 1.134 121 R CA 1.755 57.892 56.100 0.062 0.000 0.952 121 R CB -0.818 29.516 30.300 0.057 0.000 0.850 121 R HN 0.365 nan 8.270 nan 0.000 0.433 122 L N 1.208 122.491 121.223 0.099 0.000 2.079 122 L HA -0.167 4.173 4.340 0.001 0.000 0.210 122 L C 2.127 179.081 176.870 0.139 0.000 1.081 122 L CA 1.313 56.236 54.840 0.138 0.000 0.752 122 L CB -0.108 42.069 42.059 0.197 0.000 0.896 122 L HN 0.178 nan 8.230 nan 0.000 0.433 123 L N -1.227 120.049 121.223 0.089 0.000 2.141 123 L HA -0.215 4.126 4.340 0.001 0.000 0.209 123 L C 2.769 179.696 176.870 0.094 0.000 1.094 123 L CA 0.818 55.696 54.840 0.063 0.000 0.763 123 L CB -0.571 41.470 42.059 -0.030 0.000 0.908 123 L HN 0.071 nan 8.230 nan 0.000 0.437 124 K N -0.272 120.180 120.400 0.087 0.000 1.969 124 K HA -0.189 4.131 4.320 0.001 0.000 0.216 124 K C 2.396 179.053 176.600 0.094 0.000 1.048 124 K CA 1.666 58.008 56.287 0.091 0.000 0.948 124 K CB -0.767 31.778 32.500 0.076 0.000 0.726 124 K HN 0.298 nan 8.250 nan 0.000 0.442 125 R N 0.418 120.972 120.500 0.090 0.000 2.143 125 R HA -0.110 4.231 4.340 0.001 0.000 0.239 125 R C 2.415 178.771 176.300 0.094 0.000 1.126 125 R CA 2.021 58.174 56.100 0.089 0.000 0.927 125 R CB -1.547 28.810 30.300 0.095 0.000 0.860 125 R HN 0.510 nan 8.270 nan 0.000 0.433 126 L N -0.072 121.218 121.223 0.111 0.000 2.021 126 L HA -0.214 4.127 4.340 0.001 0.000 0.215 126 L C 2.482 179.413 176.870 0.101 0.000 1.074 126 L CA 1.994 56.903 54.840 0.116 0.000 0.760 126 L CB -0.356 41.797 42.059 0.157 0.000 0.889 126 L HN 0.318 nan 8.230 nan 0.000 0.433 127 I N -0.984 119.652 120.570 0.110 0.000 2.286 127 I HA -0.328 3.842 4.170 0.001 0.000 0.248 127 I C 2.700 178.871 176.117 0.090 0.000 1.115 127 I CA 1.037 62.403 61.300 0.109 0.000 1.392 127 I CB -0.301 37.791 38.000 0.154 0.000 1.065 127 I HN 0.089 nan 8.210 nan 0.000 0.418 128 K N 0.559 121.010 120.400 0.086 0.000 2.025 128 K HA 0.020 4.340 4.320 0.001 0.000 0.207 128 K C 2.232 178.867 176.600 0.058 0.000 1.049 128 K CA 1.058 57.389 56.287 0.073 0.000 0.933 128 K CB -0.967 31.573 32.500 0.067 0.000 0.714 128 K HN 0.513 nan 8.250 nan 0.000 0.438 129 A N 0.699 123.554 122.820 0.058 0.000 2.139 129 A HA -0.077 4.244 4.320 0.001 0.000 0.221 129 A C 1.929 179.535 177.584 0.037 0.000 1.159 129 A CA 1.684 53.750 52.037 0.048 0.000 0.662 129 A CB -0.695 18.337 19.000 0.054 0.000 0.796 129 A HN 0.464 nan 8.150 nan 0.000 0.463 130 M N -0.582 119.038 119.600 0.034 0.000 2.419 130 M HA 0.126 4.606 4.480 0.001 0.000 0.252 130 M C -0.155 176.151 176.300 0.009 0.000 1.143 130 M CA -0.225 55.081 55.300 0.010 0.000 0.985 130 M CB -0.062 32.531 32.600 -0.012 0.000 1.489 130 M HN 0.317 nan 8.290 nan 0.000 0.484 131 N N 1.915 120.633 118.700 0.030 0.000 2.710 131 N HA -0.167 4.573 4.740 0.001 0.000 0.249 131 N C -0.879 174.664 175.510 0.054 0.000 1.059 131 N CA 0.835 53.908 53.050 0.039 0.000 0.720 131 N CB -1.356 37.148 38.487 0.029 0.000 0.983 131 N HN 0.437 nan 8.380 nan 0.000 0.544 132 L N 0.300 121.564 121.223 0.068 0.000 2.334 132 L HA 0.241 4.582 4.340 0.001 0.000 0.277 132 L C 0.856 177.853 176.870 0.212 0.000 1.075 132 L CA -0.720 54.202 54.840 0.136 0.000 0.804 132 L CB 0.890 42.977 42.059 0.047 0.000 1.174 132 L HN -0.036 nan 8.230 nan 0.000 0.438 133 D N 1.234 121.794 120.400 0.268 0.000 2.434 133 D HA -0.038 4.602 4.640 0.001 0.000 0.252 133 D C 1.135 177.532 176.300 0.162 0.000 1.185 133 D CA 0.264 54.358 54.000 0.156 0.000 0.886 133 D CB 1.093 41.934 40.800 0.068 0.000 1.148 133 D HN 0.429 nan 8.370 nan 0.000 0.483 134 E N 2.275 122.543 120.200 0.114 0.000 2.086 134 E HA -0.226 4.124 4.350 0.001 0.000 0.200 134 E C 1.791 178.444 176.600 0.088 0.000 1.012 134 E CA 1.935 58.401 56.400 0.110 0.000 0.812 134 E CB -0.540 29.205 29.700 0.076 0.000 0.743 134 E HN 0.663 nan 8.360 nan 0.000 0.453 135 K N -0.160 120.257 120.400 0.028 0.000 2.410 135 K HA 0.260 4.580 4.320 0.001 0.000 0.200 135 K C 1.506 178.041 176.600 -0.108 0.000 1.023 135 K CA 0.644 56.923 56.287 -0.012 0.000 1.149 135 K CB 0.457 32.945 32.500 -0.019 0.000 0.859 135 K HN 0.248 nan 8.250 nan 0.000 0.514 136 Q N -0.221 119.462 119.800 -0.194 0.000 2.392 136 Q HA 0.329 4.669 4.340 0.001 0.000 0.219 136 Q C -0.707 174.687 176.000 -1.009 0.000 0.895 136 Q CA 0.651 56.098 55.803 -0.593 0.000 0.929 136 Q CB 0.507 28.885 28.738 -0.600 0.000 1.077 136 Q HN 0.733 nan 8.270 nan 0.000 0.532 137 W N 0.549 121.873 121.300 0.039 0.000 1.851 137 W HA 0.405 5.065 4.660 0.000 0.000 0.303 137 W C -2.457 174.241 176.519 0.298 0.000 0.969 137 W CA -2.025 55.402 57.345 0.136 0.000 1.537 137 W CB 0.820 30.217 29.460 -0.106 0.000 1.682 137 W HN -0.095 nan 8.180 nan 0.000 0.367 138 P HA -0.048 nan 4.420 nan 0.000 0.260 138 P C -1.708 175.760 177.300 0.279 0.000 1.172 138 P CA -0.214 63.041 63.100 0.259 0.000 0.760 138 P CB 0.656 32.457 31.700 0.168 0.000 0.773 139 P HA -0.244 nan 4.420 nan 0.000 0.216 139 P C 1.783 179.139 177.300 0.093 0.000 1.150 139 P CA 1.966 65.158 63.100 0.153 0.000 0.843 139 P CB -0.103 31.664 31.700 0.113 0.000 0.787 140 R N 0.333 120.885 120.500 0.085 0.000 2.080 140 R HA -0.210 4.130 4.340 0.001 0.000 0.236 140 R C 2.251 178.595 176.300 0.072 0.000 1.137 140 R CA 2.207 58.345 56.100 0.064 0.000 0.943 140 R CB -2.394 27.935 30.300 0.047 0.000 0.846 140 R HN 0.218 nan 8.270 nan 0.000 0.431 141 Q N 0.028 119.874 119.800 0.077 0.000 2.364 141 Q HA 0.089 4.430 4.340 0.001 0.000 0.209 141 Q C 1.973 177.882 176.000 -0.152 0.000 0.977 141 Q CA 1.799 57.639 55.803 0.062 0.000 0.885 141 Q CB -0.358 28.460 28.738 0.135 0.000 0.941 141 Q HN 0.670 nan 8.270 nan 0.000 0.464 142 A N -0.147 122.578 122.820 -0.159 0.000 1.887 142 A HA 0.007 4.327 4.320 0.001 0.000 0.212 142 A C 2.072 179.542 177.584 -0.190 0.000 1.198 142 A CA 0.990 52.832 52.037 -0.325 0.000 0.628 142 A CB -0.535 18.473 19.000 0.013 0.000 0.847 142 A HN 0.529 nan 8.150 nan 0.000 0.449 143 M N -1.583 117.960 119.600 -0.095 0.000 2.108 143 M HA -0.191 4.289 4.480 0.001 0.000 0.261 143 M C 1.979 178.251 176.300 -0.047 0.000 1.066 143 M CA 2.310 57.547 55.300 -0.105 0.000 1.107 143 M CB -0.244 32.338 32.600 -0.030 0.000 1.356 143 M HN 0.655 nan 8.290 nan 0.000 0.406 144 W N 0.173 121.393 121.300 -0.133 0.000 2.363 144 W HA -0.255 4.405 4.660 0.000 0.000 0.296 144 W C 1.904 178.345 176.519 -0.131 0.000 1.212 144 W CA 1.919 59.206 57.345 -0.096 0.000 1.260 144 W CB -0.820 28.600 29.460 -0.066 0.000 1.131 144 W HN 0.370 nan 8.180 nan 0.000 0.530 145 Y N 0.661 120.680 120.300 -0.468 0.000 2.060 145 Y HA -0.240 4.311 4.550 0.001 0.000 0.276 145 Y C 2.538 178.084 175.900 -0.590 0.000 1.127 145 Y CA 2.729 60.419 58.100 -0.684 0.000 1.104 145 Y CB -1.139 36.893 38.460 -0.714 0.000 0.983 145 Y HN -0.098 nan 8.280 nan 0.000 0.483 146 I N 0.643 120.908 120.570 -0.507 0.000 2.121 146 I HA -0.508 3.663 4.170 0.001 0.000 0.243 146 I C 2.093 177.836 176.117 -0.624 0.000 1.047 146 I CA 2.335 63.188 61.300 -0.745 0.000 1.308 146 I CB -0.770 36.879 38.000 -0.584 0.000 1.015 146 I HN 0.432 nan 8.210 nan 0.000 0.410 147 N N 0.018 118.469 118.700 -0.414 0.000 2.084 147 N HA -0.163 4.577 4.740 0.001 0.000 0.190 147 N C 1.944 177.245 175.510 -0.348 0.000 1.030 147 N CA 1.527 54.410 53.050 -0.279 0.000 0.849 147 N CB -0.090 38.314 38.487 -0.138 0.000 1.012 147 N HN 0.227 nan 8.380 nan 0.000 0.423 148 S N 0.733 116.119 115.700 -0.524 0.000 2.374 148 S HA -0.167 4.303 4.470 0.001 0.000 0.227 148 S C 1.861 176.197 174.600 -0.440 0.000 1.037 148 S CA 1.068 58.947 58.200 -0.535 0.000 1.024 148 S CB -0.243 62.450 63.200 -0.846 0.000 0.861 148 S HN 0.318 nan 8.310 nan 0.000 0.456 149 Q N 1.311 120.787 119.800 -0.539 0.000 2.002 149 Q HA -0.060 4.280 4.340 0.001 0.000 0.204 149 Q C 2.158 178.035 176.000 -0.207 0.000 0.988 149 Q CA 1.375 56.953 55.803 -0.374 0.000 0.843 149 Q CB -0.536 27.964 28.738 -0.397 0.000 0.908 149 Q HN 0.536 nan 8.270 nan 0.000 0.420 150 K N 0.640 120.916 120.400 -0.205 0.000 2.152 150 K HA -0.154 4.166 4.320 0.001 0.000 0.206 150 K C 1.615 178.147 176.600 -0.113 0.000 1.048 150 K CA 1.146 57.373 56.287 -0.099 0.000 0.933 150 K CB -0.059 32.397 32.500 -0.072 0.000 0.721 150 K HN 0.184 nan 8.250 nan 0.000 0.447 151 D N 0.846 121.149 120.400 -0.160 0.000 2.221 151 D HA -0.134 4.506 4.640 0.001 0.000 0.204 151 D C 1.625 177.834 176.300 -0.152 0.000 0.982 151 D CA 1.054 54.953 54.000 -0.168 0.000 0.857 151 D CB 0.149 40.830 40.800 -0.198 0.000 0.934 151 D HN 0.218 nan 8.370 nan 0.000 0.475 152 E N -0.895 119.227 120.200 -0.131 0.000 2.340 152 E HA 0.126 4.476 4.350 0.001 0.000 0.194 152 E C 1.591 178.165 176.600 -0.043 0.000 0.996 152 E CA 0.727 57.075 56.400 -0.088 0.000 0.869 152 E CB 0.779 30.427 29.700 -0.087 0.000 0.835 152 E HN 0.310 nan 8.360 nan 0.000 0.493 153 G N 1.155 109.933 108.800 -0.036 0.000 2.179 153 G HA2 -0.226 3.735 3.960 0.001 0.000 0.220 153 G HA3 -0.226 3.735 3.960 0.001 0.000 0.220 153 G C 0.333 175.251 174.900 0.029 0.000 0.990 153 G CA 0.071 45.183 45.100 0.020 0.000 0.646 153 G HN 0.150 nan 8.290 nan 0.000 0.517 154 L N 0.869 122.097 121.223 0.007 0.000 2.461 154 L HA 0.532 4.872 4.340 0.001 0.000 0.272 154 L C 1.016 177.902 176.870 0.028 0.000 1.197 154 L CA -0.270 54.576 54.840 0.010 0.000 0.836 154 L CB 0.348 42.413 42.059 0.010 0.000 1.105 154 L HN 0.070 nan 8.230 nan 0.000 0.477 155 R N 1.973 122.397 120.500 -0.126 0.000 2.902 155 R HA 0.337 4.677 4.340 0.001 0.000 0.258 155 R C -1.689 174.311 176.300 -0.500 0.000 1.071 155 R CA -2.286 53.599 56.100 -0.358 0.000 1.024 155 R CB 0.697 30.584 30.300 -0.689 0.000 1.184 155 R HN 0.202 nan 8.270 nan 0.000 0.492 156 P HA -0.239 nan 4.420 nan 0.000 0.219 156 P C 0.626 177.870 177.300 -0.094 0.000 1.153 156 P CA 1.696 64.445 63.100 -0.585 0.000 0.865 156 P CB -0.081 31.345 31.700 -0.456 0.000 0.788 157 H N -2.773 116.223 119.070 -0.123 0.000 2.278 157 H HA -0.262 4.295 4.556 0.000 0.000 0.287 157 H C 1.341 176.669 175.328 -0.001 0.000 1.107 157 H CA 0.613 56.635 56.048 -0.044 0.000 1.192 157 H CB -1.963 27.782 29.762 -0.029 0.000 1.346 157 H HN 0.305 nan 8.280 nan 0.000 0.478 158 H N 0.825 119.977 119.070 0.137 0.000 3.179 158 H HA 0.294 4.850 4.556 0.001 0.000 0.274 158 H C 0.455 175.859 175.328 0.127 0.000 0.863 158 H CA 0.760 56.878 56.048 0.116 0.000 1.415 158 H CB -1.113 28.712 29.762 0.105 0.000 1.297 158 H HN 0.541 nan 8.280 nan 0.000 0.538 159 I N 0.331 120.967 120.570 0.109 0.000 4.020 159 I HA 1.035 5.205 4.170 0.001 0.000 0.256 159 I C 1.022 177.196 176.117 0.094 0.000 1.058 159 I CA 0.865 62.226 61.300 0.102 0.000 1.397 159 I CB 0.043 38.089 38.000 0.077 0.000 1.298 159 I HN 2.683 nan 8.210 nan 0.000 0.416 165 P HA -0.023 nan 4.420 nan 0.000 0.213 165 P C 1.836 179.150 177.300 0.023 0.000 1.169 165 P CA 2.563 65.685 63.100 0.036 0.000 0.885 165 P CB -0.533 31.196 31.700 0.049 0.000 0.779 166 V N -0.097 119.860 119.914 0.071 0.000 2.250 166 V HA -0.306 3.814 4.120 0.001 0.000 0.250 166 V C 2.663 178.746 176.094 -0.019 0.000 1.060 166 V CA 2.767 65.108 62.300 0.067 0.000 1.030 166 V CB -2.165 29.758 31.823 0.166 0.000 0.643 166 V HN 0.071 nan 8.190 nan 0.000 0.445 167 E N 1.092 121.347 120.200 0.092 0.000 2.035 167 E HA -0.326 4.024 4.350 0.001 0.000 0.204 167 E C 2.293 178.945 176.600 0.087 0.000 1.025 167 E CA 2.568 59.052 56.400 0.140 0.000 0.835 167 E CB -0.720 29.071 29.700 0.153 0.000 0.764 167 E HN 0.782 nan 8.360 nan 0.000 0.457 168 Q N -0.614 119.210 119.800 0.039 0.000 2.197 168 Q HA -0.174 4.166 4.340 0.001 0.000 0.207 168 Q C 2.178 178.138 176.000 -0.067 0.000 0.984 168 Q CA 2.059 57.868 55.803 0.011 0.000 0.869 168 Q CB -0.232 28.503 28.738 -0.005 0.000 0.906 168 Q HN 0.409 nan 8.270 nan 0.000 0.426 169 T N -0.116 114.309 114.554 -0.215 0.000 2.564 169 T HA -0.208 4.143 4.350 0.001 0.000 0.259 169 T C 1.226 175.738 174.700 -0.314 0.000 1.087 169 T CA 1.373 63.193 62.100 -0.468 0.000 1.184 169 T CB -0.828 67.413 68.868 -1.046 0.000 0.864 169 T HN 0.471 nan 8.240 nan 0.000 0.403 170 W N 1.342 122.463 121.300 -0.298 0.000 2.290 170 W HA -0.260 4.400 4.660 0.001 0.000 0.318 170 W C 2.944 179.490 176.519 0.044 0.000 1.248 170 W CA 0.736 57.939 57.345 -0.237 0.000 1.263 170 W CB -0.498 28.529 29.460 -0.723 0.000 1.147 170 W HN 0.269 nan 8.180 nan 0.000 0.494 171 Q N 0.771 120.770 119.800 0.333 0.000 2.133 171 Q HA -0.267 4.073 4.340 0.001 0.000 0.208 171 Q C 2.360 178.496 176.000 0.227 0.000 0.991 171 Q CA 3.361 59.363 55.803 0.331 0.000 0.867 171 Q CB -0.710 28.147 28.738 0.199 0.000 0.911 171 Q HN 0.313 nan 8.270 nan 0.000 0.417 172 K N -0.765 119.705 120.400 0.117 0.000 2.031 172 K HA -0.019 4.301 4.320 0.001 0.000 0.205 172 K C 2.134 178.813 176.600 0.132 0.000 1.049 172 K CA 1.412 57.741 56.287 0.069 0.000 0.939 172 K CB -1.234 31.250 32.500 -0.026 0.000 0.717 172 K HN 0.178 nan 8.250 nan 0.000 0.438 173 V N 0.085 120.089 119.914 0.150 0.000 2.324 173 V HA -0.283 3.838 4.120 0.001 0.000 0.250 173 V C 2.427 178.731 176.094 0.350 0.000 1.060 173 V CA 2.027 64.457 62.300 0.217 0.000 1.042 173 V CB -0.846 31.156 31.823 0.299 0.000 0.650 173 V HN 0.651 nan 8.190 nan 0.000 0.450 174 Y N 1.289 121.737 120.300 0.247 0.000 2.049 174 Y HA -0.310 4.240 4.550 0.000 0.000 0.277 174 Y C 2.783 178.823 175.900 0.234 0.000 1.143 174 Y CA 2.115 60.373 58.100 0.263 0.000 1.115 174 Y CB -1.046 37.572 38.460 0.264 0.000 0.975 174 Y HN 0.353 nan 8.280 nan 0.000 0.487 175 Q N -0.016 119.930 119.800 0.244 0.000 2.077 175 Q HA -0.213 4.127 4.340 0.001 0.000 0.206 175 Q C 2.341 178.428 176.000 0.145 0.000 0.989 175 Q CA 2.156 58.003 55.803 0.074 0.000 0.853 175 Q CB -0.438 28.308 28.738 0.013 0.000 0.907 175 Q HN 0.547 nan 8.270 nan 0.000 0.418 176 A N 0.146 123.069 122.820 0.172 0.000 1.873 176 A HA -0.269 4.052 4.320 0.001 0.000 0.218 176 A C 1.944 179.647 177.584 0.198 0.000 1.193 176 A CA 1.759 53.888 52.037 0.152 0.000 0.629 176 A CB -1.356 17.731 19.000 0.145 0.000 0.826 176 A HN 0.731 nan 8.150 nan 0.000 0.447 177 Y N 0.271 120.659 120.300 0.147 0.000 2.097 177 Y HA -0.266 4.284 4.550 0.000 0.000 0.282 177 Y C 2.590 178.569 175.900 0.133 0.000 1.152 177 Y CA 2.294 60.479 58.100 0.142 0.000 1.136 177 Y CB -0.533 38.027 38.460 0.167 0.000 0.975 177 Y HN 0.319 nan 8.280 nan 0.000 0.498 178 Q N 0.815 120.637 119.800 0.038 0.000 2.014 178 Q HA -0.247 4.093 4.340 0.001 0.000 0.207 178 Q C 2.187 178.128 176.000 -0.098 0.000 0.993 178 Q CA 2.346 58.093 55.803 -0.093 0.000 0.850 178 Q CB -0.619 28.147 28.738 0.046 0.000 0.916 178 Q HN 0.689 nan 8.270 nan 0.000 0.417 179 E N 0.330 120.519 120.200 -0.019 0.000 2.065 179 E HA -0.239 4.111 4.350 0.001 0.000 0.201 179 E C 1.919 178.505 176.600 -0.024 0.000 1.016 179 E CA 1.274 57.668 56.400 -0.010 0.000 0.818 179 E CB -0.252 29.459 29.700 0.018 0.000 0.749 179 E HN 0.391 nan 8.360 nan 0.000 0.453 180 A N 0.940 123.751 122.820 -0.016 0.000 1.892 180 A HA -0.271 4.049 4.320 0.001 0.000 0.218 180 A C 2.494 180.048 177.584 -0.050 0.000 1.188 180 A CA 1.748 53.781 52.037 -0.007 0.000 0.631 180 A CB -1.070 17.955 19.000 0.043 0.000 0.822 180 A HN 0.412 nan 8.150 nan 0.000 0.447 181 C N -0.805 118.405 119.300 -0.150 0.000 2.462 181 C HA -0.086 4.374 4.460 0.001 0.000 0.278 181 C C 2.391 177.339 174.990 -0.070 0.000 1.253 181 C CA 1.066 59.994 59.018 -0.150 0.000 1.713 181 C CB -1.527 26.032 27.740 -0.301 0.000 2.049 181 C HN 0.690 nan 8.230 nan 0.000 0.477 182 D N 0.293 120.653 120.400 -0.068 0.000 2.149 182 D HA -0.153 4.487 4.640 0.001 0.000 0.194 182 D C 2.334 178.630 176.300 -0.005 0.000 1.001 182 D CA 1.331 55.315 54.000 -0.027 0.000 0.849 182 D CB -0.250 40.536 40.800 -0.023 0.000 0.939 182 D HN 0.521 nan 8.370 nan 0.000 0.449 183 R N 0.440 120.936 120.500 -0.006 0.000 2.070 183 R HA 0.007 4.347 4.340 0.001 0.000 0.232 183 R C 2.320 178.626 176.300 0.011 0.000 1.138 183 R CA 1.337 57.441 56.100 0.007 0.000 0.936 183 R CB -0.507 29.799 30.300 0.010 0.000 0.839 183 R HN 0.142 nan 8.270 nan 0.000 0.429 184 A N 0.602 123.427 122.820 0.009 0.000 2.121 184 A HA 0.059 4.379 4.320 0.001 0.000 0.218 184 A C 1.443 179.039 177.584 0.021 0.000 1.154 184 A CA 1.064 53.111 52.037 0.016 0.000 0.679 184 A CB -0.583 18.430 19.000 0.022 0.000 0.795 184 A HN 0.566 nan 8.150 nan 0.000 0.458 185 G N -1.077 107.738 108.800 0.026 0.000 2.298 185 G HA2 -0.185 3.775 3.960 0.001 0.000 0.287 185 G HA3 -0.185 3.775 3.960 0.001 0.000 0.287 185 G C -0.216 174.733 174.900 0.082 0.000 1.075 185 G CA 0.397 45.533 45.100 0.060 0.000 0.960 185 G HN 0.514 nan 8.290 nan 0.000 0.502 186 L N -0.693 120.557 121.223 0.044 0.000 2.334 186 L HA 0.761 5.102 4.340 0.001 0.000 0.276 186 L C 0.115 177.009 176.870 0.039 0.000 1.014 186 L CA -1.355 53.509 54.840 0.040 0.000 0.815 186 L CB 2.257 44.317 42.059 0.003 0.000 1.268 186 L HN -0.041 nan 8.230 nan 0.000 0.428 187 V N 1.118 121.079 119.914 0.078 0.000 2.483 187 V HA 0.215 4.335 4.120 0.001 0.000 0.297 187 V C -0.629 175.451 176.094 -0.024 0.000 1.027 187 V CA -0.810 61.533 62.300 0.072 0.000 0.855 187 V CB 1.886 33.851 31.823 0.237 0.000 0.995 187 V HN 0.862 nan 8.190 nan 0.000 0.424 188 D N 2.775 123.155 120.400 -0.033 0.000 2.387 188 D HA 0.292 4.932 4.640 0.001 0.000 0.251 188 D C 0.874 177.137 176.300 -0.062 0.000 1.141 188 D CA -0.450 53.482 54.000 -0.114 0.000 0.987 188 D CB 0.706 41.533 40.800 0.047 0.000 1.116 188 D HN 0.189 nan 8.370 nan 0.000 0.491 189 F N 0.275 120.272 119.950 0.078 0.000 2.091 189 F HA -0.124 4.404 4.527 0.001 0.000 0.299 189 F C 2.712 178.619 175.800 0.178 0.000 1.103 189 F CA 1.741 59.810 58.000 0.115 0.000 1.228 189 F CB -1.248 37.768 39.000 0.026 0.000 0.984 189 F HN 0.544 nan 8.300 nan 0.000 0.477 190 A N -0.569 122.427 122.820 0.293 0.000 1.972 190 A HA -0.220 4.101 4.320 0.001 0.000 0.219 190 A C 2.075 179.703 177.584 0.073 0.000 1.169 190 A CA 1.758 53.886 52.037 0.151 0.000 0.635 190 A CB -0.758 18.287 19.000 0.075 0.000 0.810 190 A HN 0.331 nan 8.150 nan 0.000 0.446 191 E N 0.182 120.432 120.200 0.083 0.000 2.204 191 E HA -0.104 4.246 4.350 0.001 0.000 0.195 191 E C 1.736 178.348 176.600 0.020 0.000 0.990 191 E CA 0.880 57.306 56.400 0.044 0.000 0.821 191 E CB -0.406 29.316 29.700 0.037 0.000 0.750 191 E HN 0.644 nan 8.360 nan 0.000 0.477 192 L N -0.366 120.888 121.223 0.053 0.000 2.046 192 L HA -0.165 4.175 4.340 0.001 0.000 0.208 192 L C 2.347 179.150 176.870 -0.111 0.000 1.077 192 L CA 1.012 55.866 54.840 0.023 0.000 0.747 192 L CB -0.378 41.752 42.059 0.118 0.000 0.896 192 L HN 0.223 nan 8.230 nan 0.000 0.432 193 L N -1.277 119.836 121.223 -0.184 0.000 2.044 193 L HA -0.193 4.148 4.340 0.001 0.000 0.205 193 L C 2.503 179.283 176.870 -0.150 0.000 1.075 193 L CA 0.501 55.158 54.840 -0.305 0.000 0.747 193 L CB -0.543 41.278 42.059 -0.397 0.000 0.903 193 L HN 0.203 nan 8.230 nan 0.000 0.435 194 L N 0.288 121.471 121.223 -0.067 0.000 2.017 194 L HA -0.186 4.155 4.340 0.001 0.000 0.208 194 L C 2.749 179.641 176.870 0.037 0.000 1.073 194 L CA 1.709 56.561 54.840 0.020 0.000 0.745 194 L CB -0.641 41.432 42.059 0.022 0.000 0.894 194 L HN 0.079 nan 8.230 nan 0.000 0.432 195 R N -0.236 120.256 120.500 -0.012 0.000 2.082 195 R HA -0.141 4.199 4.340 0.001 0.000 0.234 195 R C 2.248 178.520 176.300 -0.046 0.000 1.136 195 R CA 1.923 58.004 56.100 -0.031 0.000 0.935 195 R CB -1.021 29.240 30.300 -0.065 0.000 0.842 195 R HN 0.484 nan 8.270 nan 0.000 0.430 196 A N -0.261 122.505 122.820 -0.089 0.000 1.948 196 A HA -0.269 4.051 4.320 0.001 0.000 0.220 196 A C 2.199 179.700 177.584 -0.138 0.000 1.177 196 A CA 1.994 53.933 52.037 -0.164 0.000 0.636 196 A CB -1.024 17.842 19.000 -0.223 0.000 0.815 196 A HN 0.689 nan 8.150 nan 0.000 0.449 197 H N -0.408 118.631 119.070 -0.052 0.000 2.270 197 H HA -0.132 4.424 4.556 0.000 0.000 0.299 197 H C 2.078 177.462 175.328 0.094 0.000 1.077 197 H CA 1.658 57.783 56.048 0.127 0.000 1.294 197 H CB 0.007 29.862 29.762 0.155 0.000 1.371 197 H HN 0.651 nan 8.280 nan 0.000 0.491 198 E N 0.474 120.678 120.200 0.007 0.000 2.070 198 E HA -0.213 4.137 4.350 0.001 0.000 0.197 198 E C 2.326 178.918 176.600 -0.014 0.000 1.004 198 E CA 1.046 57.414 56.400 -0.053 0.000 0.805 198 E CB -0.191 29.503 29.700 -0.010 0.000 0.744 198 E HN 0.295 nan 8.360 nan 0.000 0.451 199 L N 0.273 121.476 121.223 -0.034 0.000 2.270 199 L HA -0.194 4.146 4.340 0.001 0.000 0.217 199 L C 1.510 178.450 176.870 0.115 0.000 1.107 199 L CA 1.589 56.420 54.840 -0.015 0.000 0.772 199 L CB -0.291 41.712 42.059 -0.093 0.000 0.902 199 L HN 0.267 nan 8.230 nan 0.000 0.439 200 W N -1.410 119.908 121.300 0.030 0.000 2.704 200 W HA 0.191 4.851 4.660 0.001 0.000 0.266 200 W C 2.161 178.653 176.519 -0.044 0.000 1.266 200 W CA 0.132 57.479 57.345 0.004 0.000 1.377 200 W CB -0.515 28.963 29.460 0.030 0.000 1.082 200 W HN 0.113 nan 8.180 nan 0.000 0.608 201 L N 0.661 121.961 121.223 0.128 0.000 2.313 201 L HA -0.051 4.289 4.340 0.001 0.000 0.214 201 L C 1.003 177.900 176.870 0.044 0.000 1.119 201 L CA 0.899 55.755 54.840 0.027 0.000 0.809 201 L CB -0.507 41.502 42.059 -0.083 0.000 0.933 201 L HN -0.153 nan 8.230 nan 0.000 0.449 202 N N -0.094 118.642 118.700 0.060 0.000 2.238 202 N HA 0.081 4.822 4.740 0.001 0.000 0.222 202 N C -0.198 175.368 175.510 0.093 0.000 1.133 202 N CA 0.236 53.322 53.050 0.061 0.000 0.854 202 N CB 0.733 39.246 38.487 0.043 0.000 1.041 202 N HN 0.076 nan 8.380 nan 0.000 0.510 203 K N -0.124 120.347 120.400 0.118 0.000 3.429 203 K HA 0.229 4.550 4.320 0.001 0.000 0.166 203 K C -2.183 174.480 176.600 0.106 0.000 1.079 203 K CA -1.119 55.259 56.287 0.153 0.000 0.750 203 K CB 1.832 34.373 32.500 0.068 0.000 0.883 203 K HN -0.173 nan 8.250 nan 0.000 0.549 204 P HA -0.274 nan 4.420 nan 0.000 0.219 204 P C 1.331 178.661 177.300 0.050 0.000 1.153 204 P CA 1.621 64.762 63.100 0.069 0.000 0.865 204 P CB 0.027 31.767 31.700 0.066 0.000 0.788 205 H N -1.129 117.934 119.070 -0.011 0.000 2.389 205 H HA -0.042 4.514 4.556 0.000 0.000 0.299 205 H C 1.902 177.214 175.328 -0.026 0.000 1.081 205 H CA 1.162 57.193 56.048 -0.028 0.000 1.345 205 H CB -1.396 28.345 29.762 -0.034 0.000 1.393 205 H HN 0.166 nan 8.280 nan 0.000 0.520 206 I N 0.570 120.689 120.570 -0.751 0.000 2.142 206 I HA -0.246 3.924 4.170 0.001 0.000 0.240 206 I C 2.817 178.876 176.117 -0.097 0.000 1.078 206 I CA 1.079 62.107 61.300 -0.453 0.000 1.343 206 I CB -0.355 37.425 38.000 -0.366 0.000 1.046 206 I HN 0.155 nan 8.210 nan 0.000 0.405 207 L N 0.748 121.930 121.223 -0.067 0.000 1.997 207 L HA -0.293 4.047 4.340 0.001 0.000 0.216 207 L C 2.605 179.314 176.870 -0.269 0.000 1.074 207 L CA 1.971 56.617 54.840 -0.323 0.000 0.763 207 L CB -0.890 40.989 42.059 -0.300 0.000 0.890 207 L HN 0.234 nan 8.230 nan 0.000 0.434 208 Q N -0.628 119.069 119.800 -0.172 0.000 2.082 208 Q HA -0.348 3.993 4.340 0.001 0.000 0.211 208 Q C 2.338 178.239 176.000 -0.165 0.000 1.002 208 Q CA 2.401 58.119 55.803 -0.142 0.000 0.868 208 Q CB -0.755 27.940 28.738 -0.071 0.000 0.931 208 Q HN 0.796 nan 8.270 nan 0.000 0.414 209 H N -0.669 118.238 119.070 -0.272 0.000 2.319 209 H HA -0.194 4.362 4.556 0.001 0.000 0.297 209 H C 1.642 176.714 175.328 -0.426 0.000 1.097 209 H CA 2.244 58.072 56.048 -0.365 0.000 1.285 209 H CB -0.341 29.126 29.762 -0.492 0.000 1.368 209 H HN 0.276 nan 8.280 nan 0.000 0.495 210 Y N 0.264 120.379 120.300 -0.308 0.000 2.263 210 Y HA 0.009 4.559 4.550 0.000 0.000 0.292 210 Y C 2.704 178.373 175.900 -0.386 0.000 1.130 210 Y CA 1.105 58.980 58.100 -0.376 0.000 1.179 210 Y CB -0.183 38.197 38.460 -0.134 0.000 0.998 210 Y HN 0.156 nan 8.280 nan 0.000 0.532 211 R N 0.282 120.637 120.500 -0.240 0.000 2.148 211 R HA -0.132 4.208 4.340 0.001 0.000 0.227 211 R C 1.624 177.801 176.300 -0.205 0.000 1.103 211 R CA 1.370 57.336 56.100 -0.224 0.000 0.983 211 R CB -0.223 29.937 30.300 -0.234 0.000 0.874 211 R HN 0.529 nan 8.270 nan 0.000 0.451 212 E N -0.161 119.883 120.200 -0.261 0.000 2.371 212 E HA -0.100 4.251 4.350 0.001 0.000 0.194 212 E C 1.895 178.308 176.600 -0.311 0.000 1.012 212 E CA 0.351 56.604 56.400 -0.245 0.000 0.860 212 E CB 0.164 29.726 29.700 -0.230 0.000 0.811 212 E HN 0.242 nan 8.360 nan 0.000 0.502 213 R N 0.323 120.542 120.500 -0.468 0.000 2.074 213 R HA 0.042 4.382 4.340 0.001 0.000 0.218 213 R C 0.046 176.015 176.300 -0.551 0.000 1.137 213 R CA 0.399 56.122 56.100 -0.629 0.000 0.998 213 R CB 0.281 29.954 30.300 -1.044 0.000 0.895 213 R HN -0.071 nan 8.270 nan 0.000 0.442 214 F N 2.010 121.869 119.950 -0.151 0.000 2.384 214 F HA 0.232 4.759 4.527 0.000 0.000 0.359 214 F C 0.636 176.379 175.800 -0.096 0.000 1.143 214 F CA -0.459 57.468 58.000 -0.121 0.000 1.216 214 F CB 1.497 40.408 39.000 -0.149 0.000 1.512 214 F HN 0.053 nan 8.300 nan 0.000 0.573 215 T N -2.623 111.978 114.554 0.079 0.000 3.069 215 T HA 0.196 4.547 4.350 0.001 0.000 0.252 215 T C 0.364 175.111 174.700 0.079 0.000 1.053 215 T CA -0.137 61.988 62.100 0.042 0.000 0.964 215 T CB -0.152 68.717 68.868 0.003 0.000 1.005 215 T HN 0.211 nan 8.240 nan 0.000 0.532 216 N N 1.697 120.469 118.700 0.119 0.000 2.576 216 N HA 0.447 5.188 4.740 0.001 0.000 0.269 216 N C -1.420 174.155 175.510 0.109 0.000 1.058 216 N CA -0.327 52.792 53.050 0.114 0.000 0.860 216 N CB 1.753 40.309 38.487 0.115 0.000 1.249 216 N HN 0.371 nan 8.380 nan 0.000 0.525 217 I N 2.373 123.001 120.570 0.097 0.000 2.378 217 I HA 0.432 4.602 4.170 0.001 0.000 0.291 217 I C -0.842 175.321 176.117 0.076 0.000 0.992 217 I CA -0.826 60.519 61.300 0.075 0.000 1.154 217 I CB 1.321 39.377 38.000 0.093 0.000 1.315 217 I HN 0.062 nan 8.210 nan 0.000 0.448 218 L N 7.400 128.654 121.223 0.052 0.000 2.409 218 L HA 0.561 4.902 4.340 0.001 0.000 0.272 218 L C -0.484 176.410 176.870 0.040 0.000 0.980 218 L CA -0.590 54.274 54.840 0.041 0.000 0.826 218 L CB 1.877 43.957 42.059 0.036 0.000 1.268 218 L HN 0.219 nan 8.230 nan 0.000 0.407 219 V N 1.287 121.238 119.914 0.061 0.000 2.448 219 V HA 0.511 4.631 4.120 0.001 0.000 0.295 219 V C -0.511 175.652 176.094 0.114 0.000 1.025 219 V CA -0.607 61.760 62.300 0.111 0.000 0.859 219 V CB 1.790 33.779 31.823 0.277 0.000 0.988 219 V HN 0.651 nan 8.190 nan 0.000 0.431 220 D N 2.809 123.268 120.400 0.099 0.000 2.229 220 D HA 0.273 4.914 4.640 0.001 0.000 0.249 220 D C 0.387 176.778 176.300 0.150 0.000 1.027 220 D CA -0.093 53.964 54.000 0.096 0.000 0.923 220 D CB 1.242 42.078 40.800 0.061 0.000 1.174 220 D HN 0.661 nan 8.370 nan 0.000 0.443 221 E N 1.813 122.097 120.200 0.140 0.000 2.297 221 E HA -0.280 4.071 4.350 0.001 0.000 0.228 221 E C 0.797 177.516 176.600 0.199 0.000 1.213 221 E CA 0.120 56.618 56.400 0.163 0.000 0.712 221 E CB -1.838 27.968 29.700 0.177 0.000 1.202 221 E HN 0.549 nan 8.360 nan 0.000 0.376 222 F N 2.055 122.035 119.950 0.050 0.000 2.154 222 F HA -0.286 4.241 4.527 0.001 0.000 0.301 222 F C 2.627 178.442 175.800 0.023 0.000 1.087 222 F CA 2.365 60.387 58.000 0.038 0.000 1.274 222 F CB 0.135 39.098 39.000 -0.062 0.000 1.009 222 F HN 0.221 nan 8.300 nan 0.000 0.485 223 Q N -0.182 119.714 119.800 0.161 0.000 2.576 223 Q HA -0.201 4.139 4.340 0.001 0.000 0.218 223 Q C 0.785 176.746 176.000 -0.064 0.000 0.983 223 Q CA 1.582 57.417 55.803 0.053 0.000 0.920 223 Q CB -0.914 27.879 28.738 0.092 0.000 0.973 223 Q HN 0.416 nan 8.270 nan 0.000 0.528 224 D N 1.638 121.990 120.400 -0.080 0.000 2.289 224 D HA -0.023 4.618 4.640 0.001 0.000 0.207 224 D C 0.329 176.328 176.300 -0.502 0.000 0.966 224 D CA 1.078 54.981 54.000 -0.161 0.000 0.868 224 D CB -0.017 40.780 40.800 -0.006 0.000 0.943 224 D HN 0.497 nan 8.370 nan 0.000 0.514 225 T N 0.033 114.253 114.554 -0.557 0.000 2.901 225 T HA 0.184 4.534 4.350 0.001 0.000 0.301 225 T C 0.479 174.839 174.700 -0.567 0.000 1.012 225 T CA -0.728 60.941 62.100 -0.718 0.000 1.135 225 T CB 0.834 69.210 68.868 -0.819 0.000 0.936 225 T HN 0.224 nan 8.240 nan 0.000 0.539 226 N N 2.854 121.228 118.700 -0.544 0.000 2.752 226 N HA 0.258 4.998 4.740 0.001 0.000 0.316 226 N C 0.900 176.259 175.510 -0.251 0.000 1.343 226 N CA -1.159 51.663 53.050 -0.379 0.000 0.875 226 N CB 0.815 39.066 38.487 -0.393 0.000 1.120 226 N HN 0.624 nan 8.380 nan 0.000 0.562 227 N N -0.534 118.060 118.700 -0.177 0.000 2.135 227 N HA -0.098 4.643 4.740 0.001 0.000 0.186 227 N C 1.685 177.162 175.510 -0.055 0.000 1.027 227 N CA 0.653 53.662 53.050 -0.068 0.000 0.849 227 N CB -0.148 38.305 38.487 -0.056 0.000 1.002 227 N HN 0.413 nan 8.380 nan 0.000 0.425 228 I N 1.850 122.335 120.570 -0.141 0.000 2.493 228 I HA -0.204 3.967 4.170 0.001 0.000 0.254 228 I C 1.860 177.875 176.117 -0.169 0.000 1.160 228 I CA 1.367 62.563 61.300 -0.173 0.000 1.445 228 I CB -0.103 37.788 38.000 -0.181 0.000 1.086 228 I HN 0.138 nan 8.210 nan 0.000 0.433 229 Q N -1.289 118.376 119.800 -0.225 0.000 2.163 229 Q HA -0.183 4.157 4.340 0.001 0.000 0.198 229 Q C 2.052 178.104 176.000 0.087 0.000 0.954 229 Q CA 1.412 57.062 55.803 -0.256 0.000 0.851 229 Q CB -0.358 27.829 28.738 -0.919 0.000 0.928 229 Q HN 0.608 nan 8.270 nan 0.000 0.459 230 Y N 1.505 121.772 120.300 -0.056 0.000 2.114 230 Y HA -0.236 4.314 4.550 0.000 0.000 0.284 230 Y C 2.266 178.305 175.900 0.232 0.000 1.143 230 Y CA 1.362 59.544 58.100 0.138 0.000 1.135 230 Y CB -0.639 37.885 38.460 0.108 0.000 0.980 230 Y HN 0.069 nan 8.280 nan 0.000 0.499 231 A N 0.028 122.911 122.820 0.104 0.000 1.884 231 A HA -0.325 3.995 4.320 0.001 0.000 0.219 231 A C 2.171 179.789 177.584 0.056 0.000 1.197 231 A CA 2.083 54.103 52.037 -0.028 0.000 0.637 231 A CB -1.949 16.917 19.000 -0.224 0.000 0.827 231 A HN 0.819 nan 8.150 nan 0.000 0.450 232 W N 0.346 121.584 121.300 -0.103 0.000 2.331 232 W HA -0.187 4.474 4.660 0.001 0.000 0.291 232 W C 1.811 178.535 176.519 0.342 0.000 1.214 232 W CA 2.052 59.509 57.345 0.186 0.000 1.228 232 W CB -0.155 29.381 29.460 0.127 0.000 1.135 232 W HN 0.346 nan 8.180 nan 0.000 0.537 233 I N -0.523 120.253 120.570 0.343 0.000 2.339 233 I HA -0.178 3.992 4.170 0.001 0.000 0.245 233 I C 2.674 178.867 176.117 0.127 0.000 1.096 233 I CA 1.107 62.543 61.300 0.226 0.000 1.408 233 I CB -0.698 37.574 38.000 0.454 0.000 1.092 233 I HN -0.157 nan 8.210 nan 0.000 0.423 234 R N 1.289 121.814 120.500 0.041 0.000 2.103 234 R HA -0.203 4.137 4.340 0.001 0.000 0.242 234 R C 2.319 178.490 176.300 -0.216 0.000 1.142 234 R CA 1.472 57.433 56.100 -0.232 0.000 0.960 234 R CB -0.241 29.795 30.300 -0.441 0.000 0.858 234 R HN 0.324 nan 8.270 nan 0.000 0.439 235 L N 0.404 121.577 121.223 -0.084 0.000 1.921 235 L HA -0.255 4.085 4.340 0.001 0.000 0.219 235 L C 2.423 179.131 176.870 -0.271 0.000 1.081 235 L CA 1.486 56.276 54.840 -0.082 0.000 0.771 235 L CB -0.663 41.494 42.059 0.163 0.000 0.888 235 L HN 0.322 nan 8.230 nan 0.000 0.433 236 L N 0.284 121.247 121.223 -0.434 0.000 2.151 236 L HA -0.261 4.079 4.340 0.001 0.000 0.215 236 L C 2.330 179.011 176.870 -0.314 0.000 1.084 236 L CA 2.281 56.758 54.840 -0.604 0.000 0.764 236 L CB -0.811 40.867 42.059 -0.634 0.000 0.891 236 L HN 0.322 nan 8.230 nan 0.000 0.435 237 A N -1.417 121.292 122.820 -0.185 0.000 1.975 237 A HA 0.352 4.672 4.320 0.001 0.000 0.215 237 A C 1.956 179.440 177.584 -0.166 0.000 1.170 237 A CA 1.124 53.102 52.037 -0.098 0.000 0.656 237 A CB -1.098 17.935 19.000 0.056 0.000 0.821 237 A HN 0.759 nan 8.150 nan 0.000 0.449 238 G N -0.082 108.582 108.800 -0.228 0.000 2.698 238 G HA2 -0.395 3.566 3.960 0.001 0.000 0.337 238 G HA3 -0.395 3.566 3.960 0.001 0.000 0.337 238 G C 0.380 175.154 174.900 -0.211 0.000 1.286 238 G CA 0.958 45.928 45.100 -0.216 0.000 1.000 238 G HN 0.395 nan 8.290 nan 0.000 0.547 239 D N 0.104 120.413 120.400 -0.152 0.000 2.469 239 D HA 0.268 4.908 4.640 0.001 0.000 0.213 239 D C 2.187 178.435 176.300 -0.087 0.000 1.135 239 D CA 1.319 55.245 54.000 -0.124 0.000 0.834 239 D CB 0.342 41.081 40.800 -0.103 0.000 1.009 239 D HN 0.613 nan 8.370 nan 0.000 0.507 240 T N -3.201 111.302 114.554 -0.084 0.000 2.978 240 T HA 0.242 4.592 4.350 0.001 0.000 0.248 240 T C 1.302 175.981 174.700 -0.034 0.000 1.018 240 T CA -0.112 61.953 62.100 -0.058 0.000 1.026 240 T CB 0.407 69.233 68.868 -0.070 0.000 1.032 240 T HN -0.008 nan 8.240 nan 0.000 0.485 241 G N 1.923 110.702 108.800 -0.035 0.000 2.442 241 G HA2 0.481 4.441 3.960 0.001 0.000 0.249 241 G HA3 0.481 4.441 3.960 0.001 0.000 0.249 241 G C -0.588 174.354 174.900 0.070 0.000 1.263 241 G CA -0.559 44.548 45.100 0.012 0.000 0.846 241 G HN 0.126 nan 8.290 nan 0.000 0.555 242 K N 1.709 122.162 120.400 0.088 0.000 2.316 242 K HA 0.374 4.694 4.320 0.001 0.000 0.267 242 K C -0.428 176.262 176.600 0.150 0.000 1.025 242 K CA -0.440 55.917 56.287 0.117 0.000 0.896 242 K CB 1.634 34.188 32.500 0.091 0.000 1.124 242 K HN 0.222 nan 8.250 nan 0.000 0.451 243 V N 3.517 123.562 119.914 0.218 0.000 2.630 243 V HA 0.511 4.632 4.120 0.001 0.000 0.305 243 V C 0.078 176.276 176.094 0.172 0.000 1.046 243 V CA -0.955 61.479 62.300 0.223 0.000 0.934 243 V CB 1.954 33.988 31.823 0.352 0.000 1.003 243 V HN 0.694 nan 8.190 nan 0.000 0.451 244 M N 6.239 125.874 119.600 0.058 0.000 2.197 244 M HA 0.672 5.153 4.480 0.001 0.000 0.301 244 M C -1.473 174.734 176.300 -0.156 0.000 0.987 244 M CA -0.615 54.664 55.300 -0.035 0.000 0.921 244 M CB 1.514 34.110 32.600 -0.007 0.000 1.569 244 M HN 0.803 nan 8.290 nan 0.000 0.431 245 I N 4.121 124.463 120.570 -0.380 0.000 2.509 245 I HA 0.820 4.990 4.170 0.001 0.000 0.293 245 I C -0.989 174.941 176.117 -0.312 0.000 1.020 245 I CA -0.987 60.057 61.300 -0.428 0.000 1.088 245 I CB 1.843 39.214 38.000 -1.047 0.000 1.267 245 I HN 0.522 nan 8.210 nan 0.000 0.430 246 V N 2.330 122.170 119.914 -0.124 0.000 2.769 246 V HA 1.113 5.234 4.120 0.001 0.000 0.312 246 V C -0.046 176.055 176.094 0.011 0.000 1.061 246 V CA 0.167 62.424 62.300 -0.072 0.000 0.931 246 V CB 1.014 32.815 31.823 -0.036 0.000 1.010 246 V HN 1.318 nan 8.190 nan 0.000 0.433 247 G N 1.757 110.561 108.800 0.007 0.000 2.340 247 G HA2 0.514 4.474 3.960 0.001 0.000 0.299 247 G HA3 0.514 4.474 3.960 0.001 0.000 0.299 247 G C -2.382 172.543 174.900 0.041 0.000 1.291 247 G CA -0.018 45.120 45.100 0.063 0.000 0.841 247 G HN 1.050 nan 8.290 nan 0.000 0.500 248 D N -0.410 120.028 120.400 0.062 0.000 2.763 248 D HA 0.255 4.895 4.640 0.001 0.000 0.235 248 D C 0.802 177.126 176.300 0.039 0.000 1.334 248 D CA -0.230 53.797 54.000 0.046 0.000 0.950 248 D CB 1.566 42.412 40.800 0.076 0.000 1.433 248 D HN 0.388 nan 8.370 nan 0.000 0.580 249 D N 2.081 122.489 120.400 0.013 0.000 2.263 249 D HA -0.181 4.460 4.640 0.001 0.000 0.208 249 D C 0.450 176.733 176.300 -0.029 0.000 0.971 249 D CA 0.356 54.358 54.000 0.003 0.000 0.867 249 D CB 0.396 41.191 40.800 -0.007 0.000 0.929 249 D HN 0.324 nan 8.370 nan 0.000 0.492 250 D N 0.690 121.049 120.400 -0.069 0.000 2.348 250 D HA -0.047 4.593 4.640 0.001 0.000 0.216 250 D C 1.008 177.265 176.300 -0.071 0.000 0.970 250 D CA 0.511 54.411 54.000 -0.167 0.000 0.889 250 D CB 0.101 40.653 40.800 -0.413 0.000 0.912 250 D HN 0.440 nan 8.370 nan 0.000 0.524 251 Q N -0.132 119.691 119.800 0.038 0.000 2.201 251 Q HA 0.143 4.484 4.340 0.001 0.000 0.236 251 Q C -0.128 175.898 176.000 0.044 0.000 0.857 251 Q CA -0.162 55.695 55.803 0.089 0.000 1.025 251 Q CB 0.884 29.703 28.738 0.134 0.000 1.124 251 Q HN -0.143 nan 8.270 nan 0.000 0.473 252 S N 1.723 117.436 115.700 0.021 0.000 2.423 252 S HA 0.215 4.685 4.470 0.001 0.000 0.302 252 S C 0.578 175.179 174.600 0.002 0.000 1.143 252 S CA -0.342 57.868 58.200 0.017 0.000 1.080 252 S CB -0.231 62.974 63.200 0.009 0.000 1.081 252 S HN 0.514 nan 8.310 nan 0.000 0.522 253 I N 2.045 122.589 120.570 -0.044 0.000 3.658 253 I HA 0.390 4.560 4.170 0.001 0.000 0.328 253 I C -0.813 175.237 176.117 -0.111 0.000 1.567 253 I CA -0.478 60.782 61.300 -0.067 0.000 1.078 253 I CB -0.025 37.849 38.000 -0.210 0.000 1.267 253 I HN 0.493 nan 8.210 nan 0.000 0.495 254 Y N 1.003 121.290 120.300 -0.023 0.000 2.715 254 Y HA 0.441 4.992 4.550 0.000 0.000 0.255 254 Y C 2.116 177.655 175.900 -0.602 0.000 1.139 254 Y CA -0.444 57.356 58.100 -0.500 0.000 1.151 254 Y CB 1.296 39.378 38.460 -0.631 0.000 1.201 254 Y HN 0.258 nan 8.280 nan 0.000 0.556 255 G N 1.289 110.034 108.800 -0.092 0.000 2.469 255 G HA2 -0.282 3.678 3.960 0.001 0.000 0.220 255 G HA3 -0.282 3.678 3.960 0.001 0.000 0.220 255 G C 1.360 176.256 174.900 -0.007 0.000 1.136 255 G CA 1.045 46.129 45.100 -0.026 0.000 0.759 255 G HN 0.753 nan 8.290 nan 0.000 0.562 256 W N 1.422 122.791 121.300 0.115 0.000 2.747 256 W HA 0.040 4.700 4.660 0.000 0.000 0.244 256 W C 1.086 177.683 176.519 0.130 0.000 1.270 256 W CA 0.599 58.026 57.345 0.136 0.000 1.333 256 W CB -0.544 28.991 29.460 0.125 0.000 1.139 256 W HN 0.428 nan 8.180 nan 0.000 0.662 257 R N -0.460 119.803 120.500 -0.395 0.000 2.637 257 R HA 0.477 4.817 4.340 0.001 0.000 0.446 257 R C 1.050 177.134 176.300 -0.360 0.000 1.024 257 R CA 0.103 55.965 56.100 -0.396 0.000 1.080 257 R CB -0.048 29.803 30.300 -0.748 0.000 1.421 257 R HN -0.015 nan 8.270 nan 0.000 0.593 258 G N 0.785 109.441 108.800 -0.241 0.000 2.336 258 G HA2 -0.392 3.569 3.960 0.001 0.000 0.233 258 G HA3 -0.392 3.569 3.960 0.001 0.000 0.233 258 G C 0.580 175.338 174.900 -0.237 0.000 1.053 258 G CA -0.149 44.819 45.100 -0.219 0.000 0.625 258 G HN 0.706 nan 8.290 nan 0.000 0.511 259 A N 1.943 124.572 122.820 -0.319 0.000 2.526 259 A HA 0.477 4.797 4.320 0.001 0.000 0.287 259 A C 0.825 178.308 177.584 -0.168 0.000 1.232 259 A CA 1.386 53.251 52.037 -0.287 0.000 0.900 259 A CB -0.537 18.265 19.000 -0.329 0.000 1.077 259 A HN 1.095 nan 8.150 nan 0.000 0.535 260 Q N 1.911 121.626 119.800 -0.141 0.000 2.274 260 Q HA 0.492 4.832 4.340 0.001 0.000 0.260 260 Q C 0.612 176.577 176.000 -0.059 0.000 0.974 260 Q CA -0.679 55.076 55.803 -0.081 0.000 0.876 260 Q CB 1.267 29.965 28.738 -0.066 0.000 1.297 260 Q HN 0.321 nan 8.270 nan 0.000 0.446 261 V N 0.291 120.190 119.914 -0.026 0.000 2.370 261 V HA -0.335 3.785 4.120 0.001 0.000 0.252 261 V C 1.549 177.648 176.094 0.009 0.000 1.068 261 V CA 2.165 64.465 62.300 0.001 0.000 1.061 261 V CB -1.051 30.773 31.823 0.001 0.000 0.656 261 V HN 0.752 nan 8.190 nan 0.000 0.455 262 E N 1.260 121.451 120.200 -0.015 0.000 2.108 262 E HA -0.233 4.118 4.350 0.001 0.000 0.203 262 E C 2.013 178.596 176.600 -0.027 0.000 1.022 262 E CA 1.666 58.054 56.400 -0.021 0.000 0.823 262 E CB -0.806 28.871 29.700 -0.039 0.000 0.744 262 E HN 0.678 nan 8.360 nan 0.000 0.456 263 N N 0.180 118.844 118.700 -0.060 0.000 2.314 263 N HA -0.197 4.544 4.740 0.001 0.000 0.191 263 N C 1.738 177.360 175.510 0.186 0.000 1.007 263 N CA 1.020 54.024 53.050 -0.076 0.000 0.883 263 N CB -0.246 38.196 38.487 -0.074 0.000 0.969 263 N HN 0.320 nan 8.380 nan 0.000 0.441 264 I N 0.285 120.957 120.570 0.170 0.000 2.353 264 I HA -0.228 3.943 4.170 0.001 0.000 0.248 264 I C 2.481 178.632 176.117 0.056 0.000 1.119 264 I CA 0.826 62.157 61.300 0.052 0.000 1.417 264 I CB -0.080 37.937 38.000 0.027 0.000 1.078 264 I HN 0.057 nan 8.210 nan 0.000 0.421 265 Q N 1.372 121.205 119.800 0.056 0.000 2.083 265 Q HA -0.129 4.211 4.340 0.001 0.000 0.198 265 Q C 2.216 178.275 176.000 0.099 0.000 0.969 265 Q CA 1.551 57.392 55.803 0.062 0.000 0.838 265 Q CB -0.090 28.671 28.738 0.037 0.000 0.900 265 Q HN 0.248 nan 8.270 nan 0.000 0.436 266 R N -0.815 119.731 120.500 0.077 0.000 2.103 266 R HA -0.180 4.160 4.340 0.001 0.000 0.242 266 R C 2.140 178.650 176.300 0.351 0.000 1.142 266 R CA 1.602 57.776 56.100 0.123 0.000 0.960 266 R CB -0.621 29.605 30.300 -0.123 0.000 0.858 266 R HN 0.325 nan 8.270 nan 0.000 0.439 267 F N 1.267 121.334 119.950 0.196 0.000 2.171 267 F HA -0.125 4.402 4.527 0.000 0.000 0.300 267 F C 1.807 177.693 175.800 0.144 0.000 1.090 267 F CA 1.330 59.442 58.000 0.187 0.000 1.293 267 F CB -0.022 38.808 39.000 -0.282 0.000 1.013 267 F HN -0.080 nan 8.300 nan 0.000 0.486 268 L N -0.071 121.251 121.223 0.165 0.000 2.217 268 L HA -0.164 4.176 4.340 0.001 0.000 0.211 268 L C 1.870 178.763 176.870 0.039 0.000 1.107 268 L CA 0.708 55.586 54.840 0.062 0.000 0.783 268 L CB -0.673 41.438 42.059 0.088 0.000 0.919 268 L HN 0.193 nan 8.230 nan 0.000 0.442 269 N N -0.204 118.549 118.700 0.089 0.000 2.220 269 N HA -0.103 4.637 4.740 0.001 0.000 0.182 269 N C 1.271 176.826 175.510 0.076 0.000 1.023 269 N CA 1.071 54.166 53.050 0.075 0.000 0.856 269 N CB -0.163 38.375 38.487 0.084 0.000 0.997 269 N HN 0.268 nan 8.380 nan 0.000 0.429 270 D N -0.116 120.378 120.400 0.156 0.000 2.289 270 D HA 0.008 4.648 4.640 0.001 0.000 0.207 270 D C -0.065 176.194 176.300 -0.068 0.000 0.966 270 D CA 0.386 54.441 54.000 0.091 0.000 0.868 270 D CB -0.091 40.826 40.800 0.195 0.000 0.943 270 D HN 0.113 nan 8.370 nan 0.000 0.514 271 F N 1.191 120.968 119.950 -0.288 0.000 2.404 271 F HA 0.322 4.849 4.527 0.000 0.000 0.345 271 F C -1.893 173.746 175.800 -0.268 0.000 1.110 271 F CA -2.948 54.820 58.000 -0.386 0.000 1.130 271 F CB 0.749 39.229 39.000 -0.867 0.000 1.129 271 F HN -0.352 nan 8.300 nan 0.000 0.500 272 P HA 0.152 nan 4.420 nan 0.000 0.263 272 P C 0.775 178.063 177.300 -0.020 0.000 1.195 272 P CA 0.993 64.066 63.100 -0.046 0.000 0.762 272 P CB 0.550 32.217 31.700 -0.055 0.000 0.799 273 G N 2.906 111.696 108.800 -0.016 0.000 2.284 273 G HA2 -0.312 3.648 3.960 0.001 0.000 0.261 273 G HA3 -0.312 3.648 3.960 0.001 0.000 0.261 273 G C 0.546 175.444 174.900 -0.002 0.000 0.997 273 G CA 0.112 45.210 45.100 -0.003 0.000 0.621 273 G HN 0.887 nan 8.290 nan 0.000 0.534 274 A N 0.212 123.014 122.820 -0.031 0.000 2.602 274 A HA 0.334 4.654 4.320 0.001 0.000 0.256 274 A C 0.464 178.060 177.584 0.020 0.000 0.956 274 A CA 1.938 53.951 52.037 -0.040 0.000 0.878 274 A CB -0.105 18.805 19.000 -0.151 0.000 0.834 274 A HN 0.785 nan 8.150 nan 0.000 0.473 275 E N 0.759 120.995 120.200 0.060 0.000 2.366 275 E HA 0.437 4.787 4.350 0.001 0.000 0.278 275 E C -0.956 175.674 176.600 0.050 0.000 0.923 275 E CA -0.722 55.705 56.400 0.045 0.000 0.761 275 E CB 2.211 31.928 29.700 0.029 0.000 1.231 275 E HN 0.634 nan 8.360 nan 0.000 0.443 276 T N 2.093 116.664 114.554 0.029 0.000 2.875 276 T HA 0.552 4.903 4.350 0.001 0.000 0.284 276 T C -0.148 174.552 174.700 -0.000 0.000 0.995 276 T CA -0.309 61.798 62.100 0.012 0.000 1.060 276 T CB 0.434 69.307 68.868 0.008 0.000 0.967 276 T HN 0.241 nan 8.240 nan 0.000 0.476 277 I N 2.760 123.323 120.570 -0.013 0.000 2.499 277 I HA 0.419 4.590 4.170 0.001 0.000 0.288 277 I C -0.052 176.054 176.117 -0.017 0.000 1.048 277 I CA -0.788 60.502 61.300 -0.016 0.000 1.062 277 I CB 1.993 39.976 38.000 -0.028 0.000 1.238 277 I HN 0.320 nan 8.210 nan 0.000 0.426 278 R N 6.363 126.861 120.500 -0.005 0.000 2.445 278 R HA 0.693 5.033 4.340 0.001 0.000 0.308 278 R C -0.960 175.347 176.300 0.012 0.000 0.961 278 R CA -0.755 55.346 56.100 0.002 0.000 0.862 278 R CB 2.097 32.404 30.300 0.012 0.000 1.144 278 R HN 0.487 nan 8.270 nan 0.000 0.447 279 L N 2.127 123.354 121.223 0.007 0.000 2.400 279 L HA 0.382 4.722 4.340 0.001 0.000 0.264 279 L C 1.310 178.194 176.870 0.023 0.000 1.061 279 L CA -0.300 54.547 54.840 0.012 0.000 0.799 279 L CB 1.039 43.094 42.059 -0.008 0.000 1.240 279 L HN 0.780 nan 8.230 nan 0.000 0.461 280 E N -0.402 119.808 120.200 0.017 0.000 2.646 280 E HA -0.005 4.345 4.350 0.001 0.000 0.207 280 E C 0.108 176.513 176.600 -0.324 0.000 0.922 280 E CA -0.200 56.211 56.400 0.019 0.000 1.482 280 E CB 0.734 30.587 29.700 0.254 0.000 1.509 280 E HN 0.628 nan 8.360 nan 0.000 0.831 281 Q N 2.333 121.831 119.800 -0.505 0.000 2.296 281 Q HA 0.178 4.518 4.340 0.001 0.000 0.257 281 Q C -0.509 175.032 176.000 -0.765 0.000 0.942 281 Q CA -0.482 54.616 55.803 -1.176 0.000 0.939 281 Q CB 0.897 28.895 28.738 -1.233 0.000 1.198 281 Q HN 0.021 nan 8.270 nan 0.000 0.429 282 N N 3.832 122.078 118.700 -0.758 0.000 2.499 282 N HA 0.046 4.786 4.740 0.001 0.000 0.281 282 N C -0.886 174.316 175.510 -0.512 0.000 1.098 282 N CA 0.144 52.944 53.050 -0.418 0.000 0.979 282 N CB 0.604 38.926 38.487 -0.274 0.000 1.121 282 N HN 0.702 nan 8.380 nan 0.000 0.466 283 Y N 1.899 122.076 120.300 -0.205 0.000 2.500 283 Y HA 0.282 4.832 4.550 0.000 0.000 0.246 283 Y C 2.188 178.018 175.900 -0.117 0.000 1.146 283 Y CA -0.341 57.664 58.100 -0.158 0.000 1.230 283 Y CB 0.365 38.739 38.460 -0.144 0.000 1.214 283 Y HN 0.551 nan 8.280 nan 0.000 0.526 284 R N 0.093 120.596 120.500 0.005 0.000 2.064 284 R HA 0.131 4.471 4.340 0.001 0.000 0.221 284 R C 0.261 176.534 176.300 -0.045 0.000 1.136 284 R CA 0.878 56.962 56.100 -0.027 0.000 0.980 284 R CB 0.109 30.375 30.300 -0.057 0.000 0.876 284 R HN 0.069 nan 8.270 nan 0.000 0.437 285 S N 0.259 115.919 115.700 -0.066 0.000 2.690 285 S HA 0.221 4.691 4.470 0.001 0.000 0.291 285 S C -0.206 174.363 174.600 -0.051 0.000 1.138 285 S CA -0.635 57.528 58.200 -0.062 0.000 1.013 285 S CB 1.773 64.927 63.200 -0.077 0.000 1.053 285 S HN 0.435 nan 8.310 nan 0.000 0.539 286 T N -0.986 113.546 114.554 -0.037 0.000 2.802 286 T HA 0.170 4.521 4.350 0.001 0.000 0.305 286 T C 1.381 176.068 174.700 -0.022 0.000 1.053 286 T CA -0.124 61.962 62.100 -0.022 0.000 1.058 286 T CB 0.611 69.471 68.868 -0.013 0.000 0.988 286 T HN 0.440 nan 8.240 nan 0.000 0.539 287 S N 0.740 116.435 115.700 -0.008 0.000 2.368 287 S HA -0.184 4.286 4.470 0.001 0.000 0.225 287 S C 1.963 176.565 174.600 0.004 0.000 1.030 287 S CA 1.782 59.984 58.200 0.003 0.000 0.999 287 S CB -0.933 62.277 63.200 0.017 0.000 0.844 287 S HN 0.794 nan 8.310 nan 0.000 0.459 288 N N 0.393 119.094 118.700 0.002 0.000 2.043 288 N HA -0.045 4.695 4.740 0.001 0.000 0.193 288 N C 1.738 177.245 175.510 -0.005 0.000 1.037 288 N CA 1.843 54.895 53.050 0.003 0.000 0.851 288 N CB -0.251 38.239 38.487 0.004 0.000 1.027 288 N HN 0.388 nan 8.380 nan 0.000 0.422 289 I N 0.194 120.753 120.570 -0.019 0.000 2.208 289 I HA -0.242 3.928 4.170 0.001 0.000 0.245 289 I C 2.096 178.192 176.117 -0.035 0.000 1.097 289 I CA 0.665 61.944 61.300 -0.034 0.000 1.363 289 I CB -0.122 37.846 38.000 -0.053 0.000 1.051 289 I HN 0.225 nan 8.210 nan 0.000 0.413 290 L N 0.329 121.534 121.223 -0.030 0.000 2.027 290 L HA -0.166 4.174 4.340 0.001 0.000 0.206 290 L C 2.630 179.508 176.870 0.013 0.000 1.074 290 L CA 1.858 56.686 54.840 -0.020 0.000 0.745 290 L CB -0.685 41.360 42.059 -0.023 0.000 0.898 290 L HN 0.107 nan 8.230 nan 0.000 0.433 291 S N 0.019 115.729 115.700 0.017 0.000 2.387 291 S HA -0.220 4.250 4.470 0.001 0.000 0.230 291 S C 2.071 176.689 174.600 0.029 0.000 1.035 291 S CA 1.188 59.404 58.200 0.028 0.000 1.014 291 S CB -0.713 62.502 63.200 0.024 0.000 0.836 291 S HN 0.660 nan 8.310 nan 0.000 0.466 292 A N 1.663 124.495 122.820 0.019 0.000 1.872 292 A HA 0.266 4.586 4.320 0.001 0.000 0.214 292 A C 2.418 180.024 177.584 0.036 0.000 1.187 292 A CA 1.465 53.515 52.037 0.022 0.000 0.614 292 A CB -1.198 17.809 19.000 0.011 0.000 0.826 292 A HN 0.515 nan 8.150 nan 0.000 0.442 293 A N 0.462 123.301 122.820 0.032 0.000 1.908 293 A HA -0.236 4.084 4.320 0.001 0.000 0.218 293 A C 1.982 179.684 177.584 0.196 0.000 1.181 293 A CA 1.950 54.041 52.037 0.089 0.000 0.627 293 A CB -0.691 18.291 19.000 -0.030 0.000 0.818 293 A HN 0.551 nan 8.150 nan 0.000 0.445 294 N N 0.356 119.135 118.700 0.132 0.000 2.058 294 N HA -0.120 4.620 4.740 0.001 0.000 0.191 294 N C 1.997 177.539 175.510 0.053 0.000 1.037 294 N CA 1.731 54.841 53.050 0.100 0.000 0.848 294 N CB -0.749 37.782 38.487 0.073 0.000 1.021 294 N HN 0.447 nan 8.380 nan 0.000 0.422 295 A N 1.300 124.145 122.820 0.042 0.000 1.917 295 A HA -0.147 4.173 4.320 0.001 0.000 0.219 295 A C 2.257 179.852 177.584 0.019 0.000 1.182 295 A CA 1.224 53.276 52.037 0.025 0.000 0.633 295 A CB -0.815 18.200 19.000 0.025 0.000 0.819 295 A HN 0.265 nan 8.150 nan 0.000 0.448 296 L N -0.725 120.516 121.223 0.030 0.000 1.994 296 L HA -0.122 4.218 4.340 0.001 0.000 0.208 296 L C 2.196 179.050 176.870 -0.028 0.000 1.071 296 L CA 2.194 57.039 54.840 0.008 0.000 0.745 296 L CB -0.568 41.502 42.059 0.018 0.000 0.892 296 L HN 0.344 nan 8.230 nan 0.000 0.431 297 I N -0.099 120.459 120.570 -0.021 0.000 2.394 297 I HA -0.233 3.938 4.170 0.001 0.000 0.251 297 I C 2.312 178.359 176.117 -0.116 0.000 1.136 297 I CA 1.253 62.468 61.300 -0.141 0.000 1.425 297 I CB -0.420 37.367 38.000 -0.355 0.000 1.079 297 I HN 0.387 nan 8.210 nan 0.000 0.425 298 E N 0.409 120.570 120.200 -0.066 0.000 2.273 298 E HA -0.217 4.133 4.350 0.001 0.000 0.198 298 E C 1.671 178.247 176.600 -0.040 0.000 1.002 298 E CA 0.972 57.343 56.400 -0.048 0.000 0.828 298 E CB -0.207 29.479 29.700 -0.023 0.000 0.747 298 E HN 0.518 nan 8.360 nan 0.000 0.491 299 N N 0.792 119.471 118.700 -0.036 0.000 2.550 299 N HA -0.060 4.680 4.740 0.001 0.000 0.186 299 N C -0.195 175.300 175.510 -0.026 0.000 1.110 299 N CA 0.363 53.401 53.050 -0.020 0.000 0.912 299 N CB 0.025 38.511 38.487 -0.002 0.000 0.968 299 N HN 0.106 nan 8.380 nan 0.000 0.448 300 N N 1.404 120.075 118.700 -0.049 0.000 2.498 300 N HA 0.170 4.910 4.740 0.001 0.000 0.287 300 N C -0.424 175.061 175.510 -0.041 0.000 1.097 300 N CA -0.173 52.849 53.050 -0.046 0.000 0.973 300 N CB 0.658 39.101 38.487 -0.074 0.000 1.153 300 N HN 0.018 nan 8.380 nan 0.000 0.472 301 N N 0.074 118.758 118.700 -0.027 0.000 2.487 301 N HA 0.408 5.148 4.740 0.001 0.000 0.292 301 N C 0.601 176.097 175.510 -0.023 0.000 1.108 301 N CA -0.164 52.873 53.050 -0.022 0.000 0.956 301 N CB 1.368 39.847 38.487 -0.013 0.000 1.176 301 N HN 0.686 nan 8.380 nan 0.000 0.484 302 G N 1.283 110.070 108.800 -0.022 0.000 2.255 302 G HA2 -0.236 3.724 3.960 0.001 0.000 0.239 302 G HA3 -0.236 3.724 3.960 0.001 0.000 0.239 302 G C -0.420 174.464 174.900 -0.027 0.000 1.083 302 G CA -0.486 44.602 45.100 -0.020 0.000 0.826 302 G HN 0.560 nan 8.290 nan 0.000 0.493 303 R N -0.979 119.501 120.500 -0.033 0.000 2.437 303 R HA 0.667 5.008 4.340 0.001 0.000 0.310 303 R C 1.642 177.924 176.300 -0.030 0.000 0.955 303 R CA -0.158 55.917 56.100 -0.041 0.000 0.851 303 R CB 1.184 31.447 30.300 -0.062 0.000 1.161 303 R HN 0.662 nan 8.270 nan 0.000 0.446 304 L N 1.955 123.163 121.223 -0.025 0.000 2.642 304 L HA 0.105 4.445 4.340 0.001 0.000 0.236 304 L C 1.145 178.006 176.870 -0.015 0.000 1.169 304 L CA 1.436 56.266 54.840 -0.016 0.000 0.851 304 L CB -1.773 40.279 42.059 -0.012 0.000 0.968 304 L HN 1.024 nan 8.230 nan 0.000 0.453 305 G N -1.206 107.580 108.800 -0.022 0.000 2.502 305 G HA2 0.263 4.223 3.960 0.001 0.000 0.273 305 G HA3 0.263 4.223 3.960 0.001 0.000 0.273 305 G C 0.041 174.938 174.900 -0.005 0.000 1.021 305 G CA 0.686 45.776 45.100 -0.017 0.000 1.333 305 G HN 1.865 nan 8.290 nan 0.000 0.508 306 K N 0.492 120.886 120.400 -0.011 0.000 2.295 306 K HA 0.880 5.200 4.320 0.001 0.000 0.270 306 K C 1.513 178.135 176.600 0.036 0.000 1.011 306 K CA 1.287 57.579 56.287 0.008 0.000 0.953 306 K CB 0.201 32.698 32.500 -0.005 0.000 0.956 306 K HN 1.864 nan 8.250 nan 0.000 0.477 307 K N 0.860 121.299 120.400 0.066 0.000 2.008 307 K HA 0.210 4.530 4.320 0.001 0.000 0.226 307 K C 1.088 177.768 176.600 0.133 0.000 0.994 307 K CA 1.598 57.958 56.287 0.122 0.000 1.069 307 K CB -0.973 31.642 32.500 0.191 0.000 0.760 307 K HN 1.373 nan 8.250 nan 0.000 0.465 308 L N 0.130 121.435 121.223 0.137 0.000 2.586 308 L HA -0.095 4.245 4.340 0.001 0.000 0.690 308 L C -0.236 176.709 176.870 0.124 0.000 1.053 308 L CA 0.279 55.150 54.840 0.051 0.000 1.383 308 L CB -0.941 41.153 42.059 0.058 0.000 2.057 308 L HN 0.956 nan 8.230 nan 0.000 0.951 309 W N 2.163 123.437 121.300 -0.044 0.000 3.055 309 W HA 0.862 5.523 4.660 0.001 0.000 0.340 309 W C -0.493 175.969 176.519 -0.095 0.000 1.180 309 W CA -0.535 56.776 57.345 -0.057 0.000 1.077 309 W CB 1.815 31.243 29.460 -0.053 0.000 1.479 309 W HN 0.287 nan 8.180 nan 0.000 0.593 310 T N 0.048 114.731 114.554 0.214 0.000 2.886 310 T HA 0.130 4.481 4.350 0.001 0.000 0.330 310 T C -0.521 174.287 174.700 0.180 0.000 1.488 310 T CA -0.299 61.770 62.100 -0.052 0.000 1.054 310 T CB 1.683 70.467 68.868 -0.139 0.000 1.348 310 T HN 0.329 nan 8.240 nan 0.000 0.489 311 D N 1.559 122.005 120.400 0.076 0.000 2.305 311 D HA 0.195 4.836 4.640 0.001 0.000 0.206 311 D C 1.370 177.698 176.300 0.046 0.000 0.974 311 D CA 0.654 54.725 54.000 0.117 0.000 0.871 311 D CB -0.370 40.487 40.800 0.095 0.000 0.947 311 D HN 0.725 nan 8.370 nan 0.000 0.516 312 G N 0.539 109.339 108.800 -0.000 0.000 2.562 312 G HA2 0.278 4.239 3.960 0.001 0.000 0.233 312 G HA3 0.278 4.239 3.960 0.001 0.000 0.233 312 G C 0.433 175.343 174.900 0.016 0.000 1.266 312 G CA 0.169 45.269 45.100 0.001 0.000 0.852 312 G HN 0.249 nan 8.290 nan 0.000 0.581 313 A N 0.962 123.792 122.820 0.016 0.000 2.387 313 A HA 0.247 4.567 4.320 0.001 0.000 0.251 313 A C 1.510 179.104 177.584 0.016 0.000 1.113 313 A CA 0.343 52.392 52.037 0.019 0.000 0.794 313 A CB 0.202 19.215 19.000 0.020 0.000 1.069 313 A HN 0.681 nan 8.150 nan 0.000 0.506 314 D N -0.065 120.346 120.400 0.018 0.000 2.144 314 D HA 0.163 4.803 4.640 0.001 0.000 0.199 314 D C 1.280 177.588 176.300 0.013 0.000 0.984 314 D CA 1.901 55.911 54.000 0.016 0.000 0.834 314 D CB -0.465 40.346 40.800 0.018 0.000 0.955 314 D HN 1.178 nan 8.370 nan 0.000 0.465 315 G N 1.036 109.846 108.800 0.017 0.000 2.860 315 G HA2 -0.251 3.709 3.960 0.001 0.000 0.553 315 G HA3 -0.251 3.709 3.960 0.001 0.000 0.553 315 G C -0.413 174.498 174.900 0.018 0.000 1.439 315 G CA -0.363 44.748 45.100 0.017 0.000 0.879 315 G HN 0.244 nan 8.290 nan 0.000 0.545 316 E N 0.929 121.141 120.200 0.019 0.000 2.442 316 E HA 0.280 4.630 4.350 0.001 0.000 0.260 316 E C -1.955 174.654 176.600 0.014 0.000 1.148 316 E CA -0.568 55.845 56.400 0.021 0.000 0.976 316 E CB 0.162 29.876 29.700 0.023 0.000 0.967 316 E HN 0.376 nan 8.360 nan 0.000 0.454 317 P HA 0.118 nan 4.420 nan 0.000 0.276 317 P C -0.514 176.796 177.300 0.017 0.000 1.261 317 P CA -0.211 62.903 63.100 0.024 0.000 0.800 317 P CB 0.498 32.220 31.700 0.037 0.000 1.066 318 I N 0.511 121.093 120.570 0.020 0.000 2.352 318 I HA 0.084 4.254 4.170 0.001 0.000 0.290 318 I C 0.560 176.706 176.117 0.049 0.000 1.036 318 I CA 0.081 61.391 61.300 0.016 0.000 1.336 318 I CB 0.414 38.427 38.000 0.021 0.000 1.407 318 I HN 0.201 nan 8.210 nan 0.000 0.497 319 S N 6.550 122.284 115.700 0.056 0.000 2.548 319 S HA 0.390 4.860 4.470 0.001 0.000 0.277 319 S C -0.432 174.259 174.600 0.151 0.000 1.315 319 S CA -0.367 57.905 58.200 0.119 0.000 1.050 319 S CB 0.860 64.157 63.200 0.161 0.000 0.918 319 S HN 0.316 nan 8.310 nan 0.000 0.497 320 L N 4.839 126.161 121.223 0.165 0.000 2.376 320 L HA 0.585 4.925 4.340 0.001 0.000 0.275 320 L C -1.567 175.385 176.870 0.138 0.000 0.987 320 L CA -0.647 54.296 54.840 0.171 0.000 0.828 320 L CB 1.123 43.275 42.059 0.155 0.000 1.249 320 L HN 0.684 nan 8.230 nan 0.000 0.409 321 Y N 4.923 125.156 120.300 -0.112 0.000 2.406 321 Y HA 0.528 5.078 4.550 0.000 0.000 0.340 321 Y C -0.852 174.675 175.900 -0.621 0.000 0.975 321 Y CA -0.880 56.969 58.100 -0.420 0.000 1.056 321 Y CB 1.634 39.531 38.460 -0.939 0.000 1.210 321 Y HN 0.813 nan 8.280 nan 0.000 0.448 322 C N 7.092 125.535 119.300 -1.429 0.000 2.239 322 C HA 0.921 5.381 4.460 0.001 0.000 0.325 322 C C 0.156 174.280 174.990 -1.442 0.000 1.231 322 C CA -0.165 57.952 59.018 -1.502 0.000 1.652 322 C CB -1.722 25.462 27.740 -0.927 0.000 2.284 322 C HN 0.971 nan 8.230 nan 0.000 0.499 323 A N 4.795 127.032 122.820 -0.971 0.000 2.264 323 A HA 0.655 4.976 4.320 0.001 0.000 0.304 323 A C 0.358 177.771 177.584 -0.284 0.000 1.100 323 A CA -0.601 51.138 52.037 -0.497 0.000 0.839 323 A CB 0.320 19.219 19.000 -0.168 0.000 1.121 323 A HN 1.280 nan 8.150 nan 0.000 0.496 324 F N 0.017 119.895 119.950 -0.120 0.000 2.743 324 F HA 0.249 4.776 4.527 0.000 0.000 0.297 324 F C 0.286 176.053 175.800 -0.055 0.000 1.131 324 F CA -0.106 57.847 58.000 -0.079 0.000 1.426 324 F CB -0.494 38.482 39.000 -0.039 0.000 1.116 324 F HN 0.605 nan 8.300 nan 0.000 0.583 325 N N -1.129 117.363 118.700 -0.346 0.000 3.355 325 N HA 0.023 4.763 4.740 0.001 0.000 0.238 325 N C 0.457 175.811 175.510 -0.259 0.000 1.466 325 N CA -0.152 52.770 53.050 -0.214 0.000 0.882 325 N CB 0.169 38.608 38.487 -0.080 0.000 1.406 325 N HN 0.051 nan 8.380 nan 0.000 0.500 326 E N 0.004 120.103 120.200 -0.167 0.000 2.085 326 E HA -0.197 4.153 4.350 0.001 0.000 0.194 326 E C 1.398 177.903 176.600 -0.158 0.000 0.994 326 E CA 1.320 57.638 56.400 -0.138 0.000 0.801 326 E CB -0.347 29.290 29.700 -0.106 0.000 0.743 326 E HN 0.557 nan 8.360 nan 0.000 0.453 327 L N 2.200 123.318 121.223 -0.175 0.000 2.046 327 L HA -0.132 4.208 4.340 0.001 0.000 0.208 327 L C 2.076 178.820 176.870 -0.210 0.000 1.077 327 L CA 2.489 57.232 54.840 -0.161 0.000 0.747 327 L CB -0.796 41.195 42.059 -0.114 0.000 0.896 327 L HN 0.036 nan 8.230 nan 0.000 0.432 328 D N -0.711 119.450 120.400 -0.399 0.000 2.178 328 D HA -0.270 4.370 4.640 0.001 0.000 0.201 328 D C 2.120 178.325 176.300 -0.159 0.000 0.980 328 D CA 1.330 55.062 54.000 -0.448 0.000 0.842 328 D CB -0.031 40.065 40.800 -1.173 0.000 0.948 328 D HN 0.611 nan 8.370 nan 0.000 0.472 329 E N -0.655 119.467 120.200 -0.131 0.000 2.077 329 E HA -0.180 4.170 4.350 0.001 0.000 0.193 329 E C 1.936 178.547 176.600 0.019 0.000 0.989 329 E CA 0.976 57.386 56.400 0.016 0.000 0.800 329 E CB -0.128 29.565 29.700 -0.013 0.000 0.746 329 E HN 0.332 nan 8.360 nan 0.000 0.452 330 A N 1.237 124.019 122.820 -0.063 0.000 1.873 330 A HA -0.138 4.182 4.320 0.001 0.000 0.215 330 A C 2.138 179.653 177.584 -0.115 0.000 1.186 330 A CA 1.358 53.337 52.037 -0.097 0.000 0.616 330 A CB -0.409 18.516 19.000 -0.125 0.000 0.823 330 A HN 0.169 nan 8.150 nan 0.000 0.442 331 R N -1.802 118.641 120.500 -0.095 0.000 2.152 331 R HA -0.080 4.260 4.340 0.001 0.000 0.232 331 R C 1.896 178.124 176.300 -0.120 0.000 1.117 331 R CA 1.418 57.459 56.100 -0.098 0.000 0.981 331 R CB -0.455 29.808 30.300 -0.060 0.000 0.870 331 R HN 0.616 nan 8.270 nan 0.000 0.451 332 F N 0.817 120.629 119.950 -0.230 0.000 2.146 332 F HA -0.144 4.383 4.527 0.000 0.000 0.298 332 F C 1.951 177.558 175.800 -0.321 0.000 1.096 332 F CA 1.119 58.915 58.000 -0.339 0.000 1.275 332 F CB -0.215 38.433 39.000 -0.587 0.000 1.008 332 F HN -0.289 nan 8.300 nan 0.000 0.480 333 V N -0.177 119.534 119.914 -0.339 0.000 2.295 333 V HA -0.281 3.840 4.120 0.001 0.000 0.246 333 V C 2.427 178.142 176.094 -0.632 0.000 1.049 333 V CA 1.738 63.670 62.300 -0.613 0.000 1.024 333 V CB -0.697 30.826 31.823 -0.500 0.000 0.648 333 V HN 0.270 nan 8.190 nan 0.000 0.447 334 V N 1.140 120.812 119.914 -0.402 0.000 2.469 334 V HA -0.287 3.833 4.120 0.001 0.000 0.251 334 V C 2.395 178.321 176.094 -0.280 0.000 1.064 334 V CA 2.283 64.403 62.300 -0.299 0.000 1.066 334 V CB -0.919 30.784 31.823 -0.200 0.000 0.667 334 V HN 0.699 nan 8.190 nan 0.000 0.461 335 N N 0.476 118.972 118.700 -0.340 0.000 2.106 335 N HA -0.183 4.557 4.740 0.001 0.000 0.188 335 N C 2.020 177.351 175.510 -0.298 0.000 1.029 335 N CA 1.260 54.132 53.050 -0.296 0.000 0.848 335 N CB -0.055 38.231 38.487 -0.335 0.000 1.007 335 N HN 0.315 nan 8.380 nan 0.000 0.423 336 R N 0.859 121.085 120.500 -0.456 0.000 2.081 336 R HA 0.019 4.360 4.340 0.001 0.000 0.235 336 R C 2.371 178.624 176.300 -0.078 0.000 1.131 336 R CA 0.516 56.453 56.100 -0.271 0.000 0.960 336 R CB -0.935 29.206 30.300 -0.265 0.000 0.856 336 R HN 0.415 nan 8.270 nan 0.000 0.436 337 I N 0.963 121.409 120.570 -0.206 0.000 2.394 337 I HA -0.240 3.930 4.170 0.001 0.000 0.251 337 I C 2.614 178.779 176.117 0.080 0.000 1.136 337 I CA 1.111 62.382 61.300 -0.050 0.000 1.425 337 I CB -0.208 37.684 38.000 -0.180 0.000 1.079 337 I HN 0.151 nan 8.210 nan 0.000 0.425 338 K N 0.591 120.983 120.400 -0.015 0.000 2.097 338 K HA -0.147 4.173 4.320 0.001 0.000 0.205 338 K C 1.969 178.598 176.600 0.047 0.000 1.050 338 K CA 1.667 57.960 56.287 0.011 0.000 0.938 338 K CB 0.012 32.488 32.500 -0.039 0.000 0.718 338 K HN 0.196 nan 8.250 nan 0.000 0.442 339 T N 0.649 115.233 114.554 0.050 0.000 2.821 339 T HA -0.160 4.190 4.350 0.001 0.000 0.267 339 T C 1.174 175.960 174.700 0.143 0.000 1.046 339 T CA 1.075 63.217 62.100 0.069 0.000 1.139 339 T CB -0.256 68.644 68.868 0.054 0.000 0.871 339 T HN 0.495 nan 8.240 nan 0.000 0.454 340 W N 2.151 123.452 121.300 0.001 0.000 2.381 340 W HA -0.117 4.543 4.660 0.000 0.000 0.301 340 W C 2.079 178.608 176.519 0.017 0.000 1.205 340 W CA 1.213 58.572 57.345 0.023 0.000 1.285 340 W CB -0.404 29.090 29.460 0.057 0.000 1.133 340 W HN 0.307 nan 8.180 nan 0.000 0.521 341 Q N 0.576 120.451 119.800 0.126 0.000 2.050 341 Q HA -0.220 4.120 4.340 0.001 0.000 0.202 341 Q C 1.602 177.555 176.000 -0.077 0.000 0.980 341 Q CA 2.142 57.935 55.803 -0.016 0.000 0.840 341 Q CB -0.488 28.296 28.738 0.077 0.000 0.898 341 Q HN 0.022 nan 8.270 nan 0.000 0.424 342 D N 0.367 120.750 120.400 -0.028 0.000 2.351 342 D HA -0.096 4.544 4.640 0.001 0.000 0.216 342 D C 0.610 176.871 176.300 -0.065 0.000 0.968 342 D CA 0.636 54.614 54.000 -0.036 0.000 0.899 342 D CB -0.116 40.676 40.800 -0.013 0.000 0.907 342 D HN 0.272 nan 8.370 nan 0.000 0.514 343 N N -0.759 117.874 118.700 -0.111 0.000 2.214 343 N HA 0.150 4.890 4.740 0.001 0.000 0.214 343 N C 1.134 176.509 175.510 -0.225 0.000 1.132 343 N CA 0.512 53.479 53.050 -0.138 0.000 0.856 343 N CB 1.557 39.977 38.487 -0.113 0.000 1.020 343 N HN 0.193 nan 8.380 nan 0.000 0.509 344 G N -0.291 108.362 108.800 -0.245 0.000 2.195 344 G HA2 -0.203 3.757 3.960 0.001 0.000 0.224 344 G HA3 -0.203 3.757 3.960 0.001 0.000 0.224 344 G C 0.505 175.162 174.900 -0.404 0.000 0.990 344 G CA -0.155 44.790 45.100 -0.258 0.000 0.639 344 G HN 0.529 nan 8.290 nan 0.000 0.514 345 G N 0.091 108.442 108.800 -0.748 0.000 2.572 345 G HA2 0.702 4.662 3.960 0.001 0.000 0.261 345 G HA3 0.702 4.662 3.960 0.001 0.000 0.261 345 G C 0.270 174.935 174.900 -0.392 0.000 1.197 345 G CA 0.644 45.045 45.100 -1.165 0.000 0.870 345 G HN 1.526 nan 8.290 nan 0.000 0.548 346 A N 0.611 123.459 122.820 0.047 0.000 2.305 346 A HA 0.550 4.870 4.320 0.001 0.000 0.322 346 A C 1.345 179.175 177.584 0.409 0.000 1.187 346 A CA -0.721 51.441 52.037 0.208 0.000 0.825 346 A CB 0.887 19.994 19.000 0.179 0.000 1.164 346 A HN 0.660 nan 8.150 nan 0.000 0.498 347 L N 1.922 123.307 121.223 0.271 0.000 2.079 347 L HA -0.249 4.092 4.340 0.001 0.000 0.210 347 L C 2.785 179.786 176.870 0.219 0.000 1.081 347 L CA 1.765 56.750 54.840 0.242 0.000 0.752 347 L CB -0.586 41.565 42.059 0.154 0.000 0.896 347 L HN 0.850 nan 8.230 nan 0.000 0.433 348 A N -0.220 122.729 122.820 0.215 0.000 2.178 348 A HA -0.166 4.155 4.320 0.001 0.000 0.218 348 A C 1.845 179.585 177.584 0.259 0.000 1.157 348 A CA 1.213 53.378 52.037 0.214 0.000 0.689 348 A CB -0.395 18.723 19.000 0.196 0.000 0.787 348 A HN 0.510 nan 8.150 nan 0.000 0.465 349 E N -1.315 119.065 120.200 0.300 0.000 2.437 349 E HA 0.131 4.481 4.350 0.001 0.000 0.189 349 E C -0.814 175.866 176.600 0.133 0.000 1.054 349 E CA -0.426 56.159 56.400 0.308 0.000 0.874 349 E CB 0.036 30.014 29.700 0.463 0.000 1.011 349 E HN 0.509 nan 8.360 nan 0.000 0.474 350 C N 1.202 120.540 119.300 0.064 0.000 2.369 350 C HA 0.746 5.206 4.460 0.001 0.000 0.322 350 C C 0.150 175.028 174.990 -0.185 0.000 1.258 350 C CA -0.811 58.163 59.018 -0.073 0.000 1.487 350 C CB 0.779 28.505 27.740 -0.024 0.000 2.165 350 C HN 0.322 nan 8.230 nan 0.000 0.483 351 A N 3.904 126.509 122.820 -0.359 0.000 2.355 351 A HA 0.888 5.209 4.320 0.001 0.000 0.317 351 A C -0.824 176.653 177.584 -0.178 0.000 1.094 351 A CA -0.408 51.289 52.037 -0.566 0.000 0.764 351 A CB 0.589 18.685 19.000 -1.506 0.000 1.230 351 A HN 0.836 nan 8.150 nan 0.000 0.448 352 I N 3.389 123.893 120.570 -0.111 0.000 2.328 352 I HA 0.309 4.479 4.170 0.001 0.000 0.287 352 I C -0.695 175.387 176.117 -0.058 0.000 1.012 352 I CA -0.153 61.162 61.300 0.025 0.000 1.195 352 I CB 1.051 39.081 38.000 0.050 0.000 1.350 352 I HN 0.489 nan 8.210 nan 0.000 0.464 353 L N 7.227 128.403 121.223 -0.078 0.000 2.334 353 L HA 0.614 4.954 4.340 0.001 0.000 0.272 353 L C -0.915 175.883 176.870 -0.121 0.000 1.020 353 L CA -0.923 53.760 54.840 -0.262 0.000 0.812 353 L CB 1.449 43.381 42.059 -0.211 0.000 1.264 353 L HN 0.481 nan 8.230 nan 0.000 0.439 354 Y N -0.961 119.291 120.300 -0.080 0.000 2.609 354 Y HA 0.536 5.087 4.550 0.001 0.000 0.336 354 Y C 0.248 176.052 175.900 -0.161 0.000 1.129 354 Y CA -1.489 56.550 58.100 -0.101 0.000 1.040 354 Y CB 0.979 39.410 38.460 -0.049 0.000 1.310 354 Y HN 0.315 nan 8.280 nan 0.000 0.460 355 R N 1.490 121.987 120.500 -0.004 0.000 2.092 355 R HA 0.111 4.451 4.340 0.001 0.000 0.231 355 R C -0.200 176.146 176.300 0.077 0.000 1.119 355 R CA 1.604 57.641 56.100 -0.104 0.000 0.970 355 R CB -0.301 29.935 30.300 -0.106 0.000 0.864 355 R HN 0.846 nan 8.270 nan 0.000 0.440 356 S N -1.674 114.133 115.700 0.178 0.000 2.595 356 S HA 0.366 4.837 4.470 0.001 0.000 0.281 356 S C 0.023 174.726 174.600 0.171 0.000 1.117 356 S CA -0.964 57.320 58.200 0.141 0.000 0.873 356 S CB 1.482 64.716 63.200 0.056 0.000 1.108 356 S HN 0.172 nan 8.310 nan 0.000 0.477 357 N N 1.283 120.058 118.700 0.126 0.000 2.166 357 N HA -0.119 4.621 4.740 0.001 0.000 0.186 357 N C 2.025 177.458 175.510 -0.129 0.000 1.019 357 N CA 1.471 54.562 53.050 0.068 0.000 0.856 357 N CB -0.845 37.691 38.487 0.082 0.000 0.993 357 N HN 0.829 nan 8.380 nan 0.000 0.426 358 A N 1.785 124.546 122.820 -0.098 0.000 1.958 358 A HA -0.239 4.081 4.320 0.001 0.000 0.221 358 A C 2.086 179.541 177.584 -0.214 0.000 1.178 358 A CA 1.500 53.457 52.037 -0.133 0.000 0.642 358 A CB -0.777 18.165 19.000 -0.098 0.000 0.816 358 A HN 0.396 nan 8.150 nan 0.000 0.453 359 Q N 0.054 119.686 119.800 -0.280 0.000 2.443 359 Q HA -0.128 4.212 4.340 0.001 0.000 0.213 359 Q C 2.163 177.837 176.000 -0.544 0.000 0.982 359 Q CA 1.396 56.980 55.803 -0.364 0.000 0.894 359 Q CB -0.279 28.265 28.738 -0.323 0.000 0.947 359 Q HN 0.910 nan 8.270 nan 0.000 0.480 360 S N -0.140 115.155 115.700 -0.675 0.000 2.496 360 S HA -0.077 4.393 4.470 0.001 0.000 0.224 360 S C 1.752 176.178 174.600 -0.290 0.000 0.996 360 S CA 0.195 58.062 58.200 -0.555 0.000 0.927 360 S CB 0.005 62.945 63.200 -0.433 0.000 0.774 360 S HN 0.279 nan 8.310 nan 0.000 0.524 361 R N 1.133 121.494 120.500 -0.232 0.000 2.080 361 R HA -0.067 4.273 4.340 0.001 0.000 0.236 361 R C 1.943 178.140 176.300 -0.172 0.000 1.137 361 R CA 1.992 57.992 56.100 -0.167 0.000 0.943 361 R CB -0.720 29.497 30.300 -0.139 0.000 0.846 361 R HN 0.373 nan 8.270 nan 0.000 0.431 362 V N 1.294 121.104 119.914 -0.174 0.000 2.515 362 V HA -0.221 3.899 4.120 0.001 0.000 0.250 362 V C 2.338 178.325 176.094 -0.179 0.000 1.058 362 V CA 1.534 63.740 62.300 -0.157 0.000 1.064 362 V CB -0.383 31.356 31.823 -0.140 0.000 0.675 362 V HN 0.337 nan 8.190 nan 0.000 0.461 363 L N -0.164 120.935 121.223 -0.207 0.000 2.017 363 L HA -0.222 4.118 4.340 0.001 0.000 0.208 363 L C 2.597 179.283 176.870 -0.307 0.000 1.073 363 L CA 2.114 56.821 54.840 -0.221 0.000 0.745 363 L CB -0.583 41.359 42.059 -0.196 0.000 0.894 363 L HN 0.399 nan 8.230 nan 0.000 0.432 364 E N 0.472 120.456 120.200 -0.359 0.000 2.038 364 E HA -0.280 4.071 4.350 0.001 0.000 0.195 364 E C 2.033 178.416 176.600 -0.361 0.000 1.000 364 E CA 1.674 57.756 56.400 -0.530 0.000 0.803 364 E CB 0.014 29.505 29.700 -0.348 0.000 0.750 364 E HN 0.436 nan 8.360 nan 0.000 0.448 365 E N -0.071 119.998 120.200 -0.217 0.000 2.070 365 E HA -0.274 4.076 4.350 0.001 0.000 0.197 365 E C 2.010 178.526 176.600 -0.141 0.000 1.004 365 E CA 1.148 57.462 56.400 -0.143 0.000 0.805 365 E CB -0.206 29.426 29.700 -0.112 0.000 0.744 365 E HN 0.394 nan 8.360 nan 0.000 0.451 366 A N 0.856 123.578 122.820 -0.164 0.000 1.877 366 A HA -0.169 4.151 4.320 0.001 0.000 0.216 366 A C 2.194 179.689 177.584 -0.148 0.000 1.186 366 A CA 1.159 53.111 52.037 -0.143 0.000 0.620 366 A CB -0.659 18.251 19.000 -0.151 0.000 0.822 366 A HN 0.134 nan 8.150 nan 0.000 0.443 367 L N -0.594 120.498 121.223 -0.218 0.000 2.046 367 L HA -0.186 4.154 4.340 0.001 0.000 0.208 367 L C 2.612 179.436 176.870 -0.077 0.000 1.077 367 L CA 1.067 55.798 54.840 -0.181 0.000 0.747 367 L CB -0.549 41.309 42.059 -0.335 0.000 0.896 367 L HN 0.379 nan 8.230 nan 0.000 0.432 368 L N -0.749 120.419 121.223 -0.092 0.000 1.970 368 L HA -0.289 4.051 4.340 0.001 0.000 0.212 368 L C 2.706 179.571 176.870 -0.008 0.000 1.071 368 L CA 1.450 56.297 54.840 0.013 0.000 0.751 368 L CB -0.523 41.540 42.059 0.007 0.000 0.889 368 L HN 0.290 nan 8.230 nan 0.000 0.432 369 Q N -0.034 119.743 119.800 -0.038 0.000 2.248 369 Q HA -0.204 4.136 4.340 0.001 0.000 0.208 369 Q C 1.677 177.660 176.000 -0.027 0.000 0.984 369 Q CA 1.886 57.669 55.803 -0.032 0.000 0.875 369 Q CB -0.082 28.629 28.738 -0.044 0.000 0.910 369 Q HN 0.504 nan 8.270 nan 0.000 0.433 370 A N -1.407 121.393 122.820 -0.033 0.000 2.345 370 A HA 0.289 4.610 4.320 0.001 0.000 0.225 370 A C 0.456 178.035 177.584 -0.008 0.000 1.243 370 A CA 0.405 52.426 52.037 -0.028 0.000 0.875 370 A CB 0.192 19.163 19.000 -0.047 0.000 0.929 370 A HN 0.193 nan 8.150 nan 0.000 0.502 371 S N -1.280 114.424 115.700 0.007 0.000 3.706 371 S HA -0.190 4.280 4.470 0.001 0.000 0.363 371 S C -0.039 174.581 174.600 0.032 0.000 0.999 371 S CA 1.157 59.370 58.200 0.021 0.000 1.143 371 S CB -1.691 61.514 63.200 0.008 0.000 0.902 371 S HN 0.790 nan 8.310 nan 0.000 0.476 372 M N 1.507 121.140 119.600 0.055 0.000 2.066 372 M HA 0.366 4.847 4.480 0.001 0.000 0.340 372 M C -2.751 173.638 176.300 0.150 0.000 1.053 372 M CA -2.102 53.239 55.300 0.069 0.000 0.983 372 M CB 1.230 33.848 32.600 0.031 0.000 1.520 372 M HN -0.196 nan 8.290 nan 0.000 0.428 373 P HA 0.040 nan 4.420 nan 0.000 0.261 373 P C -1.925 175.435 177.300 0.101 0.000 1.183 373 P CA 0.594 63.719 63.100 0.041 0.000 0.761 373 P CB -0.062 31.639 31.700 0.003 0.000 0.785 374 Y N 0.822 121.107 120.300 -0.025 0.000 2.597 374 Y HA 0.717 5.268 4.550 0.000 0.000 0.340 374 Y C -0.938 174.935 175.900 -0.045 0.000 1.097 374 Y CA -1.566 56.521 58.100 -0.021 0.000 1.037 374 Y CB 1.764 40.206 38.460 -0.030 0.000 1.305 374 Y HN 0.168 nan 8.280 nan 0.000 0.463 375 R N 3.375 123.852 120.500 -0.038 0.000 2.532 375 R HA 0.633 4.973 4.340 0.001 0.000 0.297 375 R C -1.919 174.348 176.300 -0.056 0.000 0.984 375 R CA -0.742 55.227 56.100 -0.218 0.000 0.884 375 R CB 1.356 31.477 30.300 -0.298 0.000 1.182 375 R HN 0.950 nan 8.270 nan 0.000 0.442 376 I N 5.339 125.875 120.570 -0.057 0.000 2.306 376 I HA 0.175 4.345 4.170 0.001 0.000 0.288 376 I C -0.624 175.449 176.117 -0.073 0.000 1.036 376 I CA -0.717 60.627 61.300 0.072 0.000 1.221 376 I CB 0.817 38.919 38.000 0.170 0.000 1.385 376 I HN 0.593 nan 8.210 nan 0.000 0.472 377 Y N 5.273 125.617 120.300 0.072 0.000 2.530 377 Y HA 0.156 4.707 4.550 0.001 0.000 0.340 377 Y C 1.528 177.463 175.900 0.059 0.000 1.247 377 Y CA -0.270 57.857 58.100 0.045 0.000 1.727 377 Y CB 0.243 38.721 38.460 0.029 0.000 1.613 377 Y HN 0.680 nan 8.280 nan 0.000 0.464 378 G N 0.263 109.135 108.800 0.120 0.000 2.744 378 G HA2 0.374 4.334 3.960 0.001 0.000 0.211 378 G HA3 0.374 4.334 3.960 0.001 0.000 0.211 378 G C 1.109 176.068 174.900 0.099 0.000 1.146 378 G CA 0.411 45.582 45.100 0.119 0.000 0.787 378 G HN 0.929 nan 8.290 nan 0.000 0.534 379 G N 0.786 109.639 108.800 0.089 0.000 2.554 379 G HA2 -0.273 3.688 3.960 0.001 0.000 0.253 379 G HA3 -0.273 3.688 3.960 0.001 0.000 0.253 379 G C 0.627 175.588 174.900 0.101 0.000 1.172 379 G CA 0.217 45.357 45.100 0.068 0.000 0.950 379 G HN 0.160 nan 8.290 nan 0.000 0.557 380 M N 1.861 121.523 119.600 0.103 0.000 3.057 380 M HA 0.280 4.761 4.480 0.001 0.000 0.246 380 M C 1.710 178.150 176.300 0.234 0.000 1.289 380 M CA 0.208 55.626 55.300 0.197 0.000 1.161 380 M CB -0.286 32.382 32.600 0.114 0.000 1.302 380 M HN 0.438 nan 8.290 nan 0.000 0.483 381 R N -1.081 119.533 120.500 0.191 0.000 2.356 381 R HA 0.061 4.401 4.340 0.001 0.000 0.234 381 R C 1.284 177.662 176.300 0.130 0.000 0.929 381 R CA 0.152 56.335 56.100 0.138 0.000 1.084 381 R CB 0.138 30.495 30.300 0.096 0.000 1.105 381 R HN 0.276 nan 8.270 nan 0.000 0.515 382 F N -0.424 119.522 119.950 -0.007 0.000 2.374 382 F HA 0.111 4.638 4.527 0.001 0.000 0.291 382 F C 0.872 176.478 175.800 -0.324 0.000 1.084 382 F CA 0.550 58.409 58.000 -0.235 0.000 1.413 382 F CB 0.189 38.921 39.000 -0.446 0.000 1.099 382 F HN -0.172 nan 8.300 nan 0.000 0.534 383 F N 0.845 120.718 119.950 -0.128 0.000 2.773 383 F HA 0.202 4.730 4.527 0.000 0.000 0.304 383 F C 1.695 177.417 175.800 -0.131 0.000 1.129 383 F CA 0.253 58.138 58.000 -0.193 0.000 1.378 383 F CB -0.558 38.440 39.000 -0.004 0.000 1.095 383 F HN 0.065 nan 8.300 nan 0.000 0.565 384 E N 0.083 120.293 120.200 0.016 0.000 2.415 384 E HA 0.079 4.430 4.350 0.001 0.000 0.197 384 E C 0.611 177.178 176.600 -0.055 0.000 1.007 384 E CA -0.150 56.260 56.400 0.017 0.000 0.890 384 E CB 0.287 30.018 29.700 0.052 0.000 0.891 384 E HN 0.313 nan 8.360 nan 0.000 0.496 385 R N 1.652 122.059 120.500 -0.155 0.000 2.623 385 R HA -0.005 4.335 4.340 0.001 0.000 0.271 385 R C 1.129 177.335 176.300 -0.156 0.000 1.043 385 R CA 0.054 56.050 56.100 -0.174 0.000 1.083 385 R CB 0.563 30.693 30.300 -0.284 0.000 0.974 385 R HN 0.163 nan 8.270 nan 0.000 0.436 386 Q N 2.310 122.054 119.800 -0.094 0.000 1.935 386 Q HA -0.288 4.053 4.340 0.001 0.000 0.212 386 Q C 1.838 177.784 176.000 -0.091 0.000 1.008 386 Q CA 2.434 58.214 55.803 -0.039 0.000 0.868 386 Q CB 0.012 28.773 28.738 0.038 0.000 0.946 386 Q HN 0.722 nan 8.270 nan 0.000 0.418 387 E N 0.180 120.223 120.200 -0.263 0.000 2.187 387 E HA -0.232 4.119 4.350 0.001 0.000 0.199 387 E C 1.877 178.290 176.600 -0.313 0.000 1.004 387 E CA 1.420 57.484 56.400 -0.560 0.000 0.813 387 E CB -0.453 28.682 29.700 -0.940 0.000 0.736 387 E HN 0.468 nan 8.360 nan 0.000 0.468 388 I N 1.350 121.736 120.570 -0.307 0.000 2.277 388 I HA -0.106 4.064 4.170 0.001 0.000 0.243 388 I C 2.412 178.464 176.117 -0.108 0.000 1.094 388 I CA 0.755 61.886 61.300 -0.283 0.000 1.393 388 I CB -1.072 36.573 38.000 -0.591 0.000 1.078 388 I HN 0.032 nan 8.210 nan 0.000 0.417 389 K N 1.080 121.430 120.400 -0.084 0.000 2.044 389 K HA -0.205 4.115 4.320 0.001 0.000 0.210 389 K C 1.687 178.291 176.600 0.007 0.000 1.049 389 K CA 1.599 57.879 56.287 -0.011 0.000 0.927 389 K CB -0.374 32.121 32.500 -0.009 0.000 0.713 389 K HN 0.346 nan 8.250 nan 0.000 0.443 390 D N 0.378 120.787 120.400 0.016 0.000 2.078 390 D HA -0.123 4.517 4.640 0.001 0.000 0.193 390 D C 1.857 178.212 176.300 0.092 0.000 0.990 390 D CA 1.516 55.540 54.000 0.040 0.000 0.827 390 D CB -0.428 40.455 40.800 0.139 0.000 0.975 390 D HN 0.150 nan 8.370 nan 0.000 0.451 391 A N 0.747 123.641 122.820 0.123 0.000 2.009 391 A HA -0.193 4.127 4.320 0.001 0.000 0.222 391 A C 2.357 180.034 177.584 0.155 0.000 1.175 391 A CA 1.306 53.443 52.037 0.166 0.000 0.651 391 A CB -0.816 18.222 19.000 0.063 0.000 0.815 391 A HN 0.265 nan 8.150 nan 0.000 0.459 392 L N -1.344 119.939 121.223 0.100 0.000 2.375 392 L HA -0.003 4.338 4.340 0.001 0.000 0.215 392 L C 2.527 179.438 176.870 0.067 0.000 1.108 392 L CA 0.767 55.663 54.840 0.094 0.000 0.830 392 L CB -0.178 41.948 42.059 0.111 0.000 0.959 392 L HN 0.280 nan 8.230 nan 0.000 0.457 393 S N -0.944 114.771 115.700 0.026 0.000 2.423 393 S HA -0.126 4.344 4.470 0.001 0.000 0.231 393 S C 1.789 176.362 174.600 -0.046 0.000 1.014 393 S CA 1.073 59.252 58.200 -0.036 0.000 0.965 393 S CB -0.145 62.988 63.200 -0.112 0.000 0.785 393 S HN 0.361 nan 8.310 nan 0.000 0.495 394 Y N 1.491 121.826 120.300 0.058 0.000 2.130 394 Y HA -0.009 4.541 4.550 0.000 0.000 0.287 394 Y C 2.145 178.055 175.900 0.017 0.000 1.124 394 Y CA 0.916 59.045 58.100 0.048 0.000 1.118 394 Y CB -0.327 38.160 38.460 0.045 0.000 0.994 394 Y HN 0.117 nan 8.280 nan 0.000 0.497 395 L N -0.261 121.072 121.223 0.184 0.000 2.081 395 L HA -0.306 4.035 4.340 0.001 0.000 0.212 395 L C 2.396 179.292 176.870 0.043 0.000 1.080 395 L CA 1.494 56.383 54.840 0.081 0.000 0.754 395 L CB -0.570 41.517 42.059 0.047 0.000 0.893 395 L HN 0.186 nan 8.230 nan 0.000 0.433 396 R N -0.131 120.394 120.500 0.042 0.000 2.081 396 R HA -0.124 4.216 4.340 0.001 0.000 0.235 396 R C 2.306 178.608 176.300 0.003 0.000 1.131 396 R CA 1.201 57.309 56.100 0.014 0.000 0.960 396 R CB -0.338 29.972 30.300 0.016 0.000 0.856 396 R HN 0.331 nan 8.270 nan 0.000 0.436 397 L N 0.277 121.517 121.223 0.028 0.000 2.141 397 L HA -0.120 4.220 4.340 0.001 0.000 0.209 397 L C 2.180 179.000 176.870 -0.085 0.000 1.094 397 L CA 1.013 55.853 54.840 -0.000 0.000 0.763 397 L CB -0.271 41.839 42.059 0.085 0.000 0.908 397 L HN 0.205 nan 8.230 nan 0.000 0.437 398 I N -0.068 120.481 120.570 -0.035 0.000 2.614 398 I HA -0.187 3.984 4.170 0.001 0.000 0.258 398 I C 2.119 178.188 176.117 -0.080 0.000 1.189 398 I CA 1.093 62.356 61.300 -0.062 0.000 1.462 398 I CB -0.233 37.756 38.000 -0.019 0.000 1.092 398 I HN 0.203 nan 8.210 nan 0.000 0.442 399 V N -0.489 119.385 119.914 -0.067 0.000 3.621 399 V HA 0.215 4.335 4.120 0.001 0.000 0.285 399 V C 0.267 176.312 176.094 -0.082 0.000 1.346 399 V CA 0.442 62.702 62.300 -0.067 0.000 1.104 399 V CB -0.033 31.762 31.823 -0.048 0.000 0.913 399 V HN 0.443 nan 8.190 nan 0.000 0.432 400 N N -0.010 118.622 118.700 -0.114 0.000 4.460 400 N HA 0.127 4.867 4.740 0.001 0.000 0.170 400 N C 0.700 176.100 175.510 -0.184 0.000 1.275 400 N CA -0.426 52.546 53.050 -0.130 0.000 0.913 400 N CB 0.603 39.050 38.487 -0.068 0.000 1.679 400 N HN 0.069 nan 8.380 nan 0.000 0.864 401 R N 1.068 121.349 120.500 -0.365 0.000 2.211 401 R HA -0.019 4.321 4.340 0.001 0.000 0.240 401 R C 0.504 176.663 176.300 -0.235 0.000 1.144 401 R CA 0.870 56.621 56.100 -0.583 0.000 0.992 401 R CB -0.463 28.977 30.300 -1.434 0.000 0.869 401 R HN 0.566 nan 8.270 nan 0.000 0.462 402 N N 1.460 120.073 118.700 -0.145 0.000 2.571 402 N HA -0.092 4.649 4.740 0.001 0.000 0.189 402 N C 0.017 175.534 175.510 0.012 0.000 1.154 402 N CA 0.295 53.322 53.050 -0.038 0.000 0.907 402 N CB -0.122 38.349 38.487 -0.027 0.000 0.977 402 N HN 0.146 nan 8.380 nan 0.000 0.449 403 D N 1.988 122.403 120.400 0.025 0.000 2.429 403 D HA -0.032 4.609 4.640 0.001 0.000 0.253 403 D C 0.481 176.861 176.300 0.133 0.000 1.294 403 D CA 0.008 54.046 54.000 0.063 0.000 1.063 403 D CB 0.365 41.196 40.800 0.053 0.000 1.096 403 D HN 0.031 nan 8.370 nan 0.000 0.516 404 D N 2.745 123.213 120.400 0.113 0.000 2.108 404 D HA -0.215 4.426 4.640 0.001 0.000 0.190 404 D C 1.937 178.345 176.300 0.181 0.000 0.995 404 D CA 1.709 55.802 54.000 0.155 0.000 0.834 404 D CB -0.286 40.580 40.800 0.110 0.000 0.967 404 D HN 0.520 nan 8.370 nan 0.000 0.446 405 A N 1.174 124.068 122.820 0.123 0.000 1.909 405 A HA -0.272 4.048 4.320 0.001 0.000 0.221 405 A C 2.326 179.968 177.584 0.097 0.000 1.223 405 A CA 3.502 55.599 52.037 0.100 0.000 0.658 405 A CB -1.081 17.960 19.000 0.068 0.000 0.831 405 A HN 0.314 nan 8.150 nan 0.000 0.462 406 A N -1.717 121.164 122.820 0.103 0.000 1.841 406 A HA 0.022 4.342 4.320 0.001 0.000 0.214 406 A C 2.050 179.705 177.584 0.118 0.000 1.195 406 A CA 1.620 53.704 52.037 0.078 0.000 0.611 406 A CB -0.890 18.154 19.000 0.072 0.000 0.835 406 A HN 0.700 nan 8.150 nan 0.000 0.443 407 F N 1.052 121.060 119.950 0.097 0.000 2.063 407 F HA -0.285 4.242 4.527 0.000 0.000 0.298 407 F C 2.402 178.269 175.800 0.111 0.000 1.105 407 F CA 2.385 60.499 58.000 0.189 0.000 1.215 407 F CB -0.154 38.992 39.000 0.242 0.000 0.972 407 F HN 0.283 nan 8.300 nan 0.000 0.483 408 E N 0.166 120.486 120.200 0.201 0.000 2.019 408 E HA -0.311 4.039 4.350 0.001 0.000 0.208 408 E C 2.344 178.898 176.600 -0.077 0.000 1.030 408 E CA 1.594 58.033 56.400 0.064 0.000 0.856 408 E CB -0.871 28.886 29.700 0.096 0.000 0.781 408 E HN 0.379 nan 8.360 nan 0.000 0.471 409 R N 0.240 120.712 120.500 -0.047 0.000 2.206 409 R HA -0.231 4.109 4.340 0.001 0.000 0.240 409 R C 2.395 178.596 176.300 -0.165 0.000 1.117 409 R CA 2.972 59.022 56.100 -0.083 0.000 0.915 409 R CB -0.548 29.717 30.300 -0.059 0.000 0.888 409 R HN 0.265 nan 8.270 nan 0.000 0.432 410 V N -1.720 118.041 119.914 -0.255 0.000 3.573 410 V HA 0.007 4.127 4.120 0.001 0.000 0.270 410 V C 2.010 177.895 176.094 -0.348 0.000 1.221 410 V CA 1.078 63.153 62.300 -0.375 0.000 1.163 410 V CB 0.078 31.344 31.823 -0.927 0.000 0.847 410 V HN 0.270 nan 8.190 nan 0.000 0.468 411 V N 2.157 121.738 119.914 -0.555 0.000 2.282 411 V HA -0.248 3.872 4.120 0.001 0.000 0.249 411 V C 1.928 177.449 176.094 -0.954 0.000 1.057 411 V CA 2.905 64.457 62.300 -1.247 0.000 1.032 411 V CB -0.486 30.699 31.823 -1.063 0.000 0.645 411 V HN 0.787 nan 8.190 nan 0.000 0.447 412 N N -0.537 117.880 118.700 -0.471 0.000 2.338 412 N HA 0.151 4.891 4.740 0.001 0.000 0.251 412 N C -0.865 174.549 175.510 -0.160 0.000 1.199 412 N CA 0.090 52.967 53.050 -0.289 0.000 0.879 412 N CB 0.446 38.804 38.487 -0.216 0.000 1.159 412 N HN 0.454 nan 8.380 nan 0.000 0.514 413 T N 1.100 115.580 114.554 -0.124 0.000 2.965 413 T HA 0.396 4.746 4.350 0.001 0.000 0.306 413 T C -2.825 171.930 174.700 0.093 0.000 0.991 413 T CA -1.104 60.972 62.100 -0.040 0.000 1.001 413 T CB 2.115 70.951 68.868 -0.053 0.000 0.984 413 T HN -0.020 nan 8.240 nan 0.000 0.446 414 P HA 0.128 nan 4.420 nan 0.000 0.269 414 P C 0.311 177.599 177.300 -0.020 0.000 1.215 414 P CA -0.347 62.753 63.100 0.001 0.000 0.780 414 P CB 0.043 31.748 31.700 0.008 0.000 0.898 415 T N -0.110 114.414 114.554 -0.049 0.000 2.596 415 T HA -0.091 4.259 4.350 0.001 0.000 0.252 415 T C 0.699 175.372 174.700 -0.045 0.000 1.033 415 T CA 0.196 62.261 62.100 -0.058 0.000 1.215 415 T CB -0.387 68.450 68.868 -0.051 0.000 1.011 415 T HN 0.296 nan 8.240 nan 0.000 0.498 416 R N 1.976 122.431 120.500 -0.075 0.000 2.427 416 R HA 0.399 4.740 4.340 0.001 0.000 0.262 416 R C 2.109 178.376 176.300 -0.055 0.000 0.943 416 R CA 0.612 56.679 56.100 -0.056 0.000 1.081 416 R CB -0.066 30.168 30.300 -0.111 0.000 1.166 416 R HN 1.068 nan 8.270 nan 0.000 0.534 417 G N 0.949 109.715 108.800 -0.056 0.000 2.347 417 G HA2 -0.314 3.646 3.960 0.001 0.000 0.247 417 G HA3 -0.314 3.646 3.960 0.001 0.000 0.247 417 G C 0.396 175.262 174.900 -0.057 0.000 1.037 417 G CA 0.154 45.228 45.100 -0.043 0.000 0.622 417 G HN 0.317 nan 8.290 nan 0.000 0.521 418 I N 3.469 123.985 120.570 -0.091 0.000 2.624 418 I HA 0.331 4.501 4.170 0.001 0.000 0.307 418 I C 1.742 177.803 176.117 -0.093 0.000 1.191 418 I CA 0.321 61.560 61.300 -0.103 0.000 1.708 418 I CB -0.709 37.179 38.000 -0.187 0.000 1.521 418 I HN 0.283 nan 8.210 nan 0.000 0.805 419 G N 3.596 112.361 108.800 -0.058 0.000 2.486 419 G HA2 -0.006 3.955 3.960 0.001 0.000 0.272 419 G HA3 -0.006 3.955 3.960 0.001 0.000 0.272 419 G C 0.684 175.562 174.900 -0.036 0.000 1.426 419 G CA -0.240 44.832 45.100 -0.047 0.000 1.058 419 G HN 0.464 nan 8.290 nan 0.000 0.531 420 D N 0.182 120.567 120.400 -0.025 0.000 2.119 420 D HA -0.158 4.483 4.640 0.001 0.000 0.199 420 D C 2.688 178.985 176.300 -0.004 0.000 0.987 420 D CA 1.401 55.394 54.000 -0.013 0.000 0.858 420 D CB -0.073 40.723 40.800 -0.007 0.000 1.008 420 D HN 0.369 nan 8.370 nan 0.000 0.450 421 R N 0.568 121.067 120.500 -0.002 0.000 2.140 421 R HA -0.152 4.188 4.340 0.001 0.000 0.250 421 R C 2.115 178.418 176.300 0.005 0.000 1.150 421 R CA 1.422 57.524 56.100 0.004 0.000 0.966 421 R CB -1.835 28.467 30.300 0.002 0.000 0.869 421 R HN 0.179 nan 8.270 nan 0.000 0.445 422 T N 2.350 116.904 114.554 -0.000 0.000 2.737 422 T HA -0.059 4.291 4.350 0.001 0.000 0.269 422 T C 2.063 176.771 174.700 0.014 0.000 1.040 422 T CA 1.587 63.688 62.100 0.002 0.000 1.142 422 T CB -0.148 68.716 68.868 -0.008 0.000 0.861 422 T HN 0.211 nan 8.240 nan 0.000 0.456 423 L N 0.355 121.587 121.223 0.014 0.000 2.131 423 L HA -0.001 4.339 4.340 0.001 0.000 0.206 423 L C 2.338 179.230 176.870 0.038 0.000 1.087 423 L CA 1.068 55.930 54.840 0.036 0.000 0.767 423 L CB -0.652 41.425 42.059 0.029 0.000 0.917 423 L HN 0.150 nan 8.230 nan 0.000 0.441 424 D N 0.106 120.522 120.400 0.027 0.000 2.172 424 D HA -0.197 4.444 4.640 0.001 0.000 0.196 424 D C 2.183 178.499 176.300 0.027 0.000 0.999 424 D CA 1.297 55.314 54.000 0.027 0.000 0.856 424 D CB -0.104 40.709 40.800 0.021 0.000 0.934 424 D HN 0.064 nan 8.370 nan 0.000 0.453 425 V N -0.034 119.894 119.914 0.023 0.000 2.283 425 V HA -0.179 3.942 4.120 0.001 0.000 0.243 425 V C 2.452 178.560 176.094 0.023 0.000 1.039 425 V CA 1.033 63.345 62.300 0.020 0.000 1.016 425 V CB -0.535 31.296 31.823 0.015 0.000 0.650 425 V HN 0.108 nan 8.190 nan 0.000 0.449 426 V N 0.600 120.532 119.914 0.029 0.000 2.568 426 V HA -0.283 3.837 4.120 0.001 0.000 0.253 426 V C 3.068 179.184 176.094 0.036 0.000 1.072 426 V CA 2.481 64.800 62.300 0.031 0.000 1.084 426 V CB -1.540 30.315 31.823 0.053 0.000 0.676 426 V HN 0.669 nan 8.190 nan 0.000 0.469 427 R N -0.425 120.102 120.500 0.045 0.000 2.075 427 R HA -0.166 4.174 4.340 0.001 0.000 0.232 427 R C 2.077 178.400 176.300 0.038 0.000 1.126 427 R CA 1.637 57.766 56.100 0.050 0.000 0.963 427 R CB -0.887 29.445 30.300 0.053 0.000 0.858 427 R HN 0.579 nan 8.270 nan 0.000 0.435 428 Q N -0.086 119.732 119.800 0.031 0.000 2.083 428 Q HA -0.051 4.290 4.340 0.001 0.000 0.198 428 Q C 2.177 178.189 176.000 0.020 0.000 0.969 428 Q CA 1.984 57.802 55.803 0.025 0.000 0.838 428 Q CB -0.344 28.407 28.738 0.021 0.000 0.900 428 Q HN 0.611 nan 8.270 nan 0.000 0.436 429 T N 0.754 115.318 114.554 0.016 0.000 2.946 429 T HA -0.073 4.277 4.350 0.001 0.000 0.271 429 T C 1.813 176.519 174.700 0.010 0.000 1.104 429 T CA 1.296 63.402 62.100 0.010 0.000 1.114 429 T CB 0.040 68.909 68.868 0.003 0.000 0.867 429 T HN 0.141 nan 8.240 nan 0.000 0.513 430 S N 0.255 115.964 115.700 0.016 0.000 2.506 430 S HA 0.100 4.571 4.470 0.001 0.000 0.230 430 S C 2.017 176.632 174.600 0.025 0.000 1.066 430 S CA -0.021 58.190 58.200 0.018 0.000 0.940 430 S CB 0.060 63.273 63.200 0.022 0.000 0.818 430 S HN 0.315 nan 8.310 nan 0.000 0.518 431 R N 2.553 123.070 120.500 0.029 0.000 2.115 431 R HA -0.020 4.321 4.340 0.001 0.000 0.230 431 R C 1.029 177.343 176.300 0.024 0.000 1.111 431 R CA 1.829 57.948 56.100 0.031 0.000 0.976 431 R CB -0.726 29.594 30.300 0.034 0.000 0.870 431 R HN 0.258 nan 8.270 nan 0.000 0.445 432 D N -0.522 119.890 120.400 0.020 0.000 2.290 432 D HA -0.001 4.639 4.640 0.001 0.000 0.224 432 D C 1.891 178.199 176.300 0.014 0.000 0.967 432 D CA 0.712 54.721 54.000 0.015 0.000 0.893 432 D CB -0.252 40.556 40.800 0.013 0.000 1.037 432 D HN 0.053 nan 8.370 nan 0.000 0.477 433 R N 0.342 120.850 120.500 0.013 0.000 2.120 433 R HA -0.026 4.314 4.340 0.001 0.000 0.234 433 R C 0.166 176.474 176.300 0.013 0.000 1.123 433 R CA 0.681 56.787 56.100 0.011 0.000 0.975 433 R CB -0.079 30.227 30.300 0.009 0.000 0.866 433 R HN 0.042 nan 8.270 nan 0.000 0.446 434 Q N -1.266 118.544 119.800 0.016 0.000 2.470 434 Q HA -0.156 4.185 4.340 0.001 0.000 0.281 434 Q C -0.837 175.174 176.000 0.018 0.000 1.260 434 Q CA 0.770 56.584 55.803 0.018 0.000 0.815 434 Q CB -2.209 26.539 28.738 0.016 0.000 1.204 434 Q HN 0.306 nan 8.270 nan 0.000 0.444 435 L N -1.057 120.176 121.223 0.017 0.000 2.535 435 L HA 0.671 5.012 4.340 0.001 0.000 0.259 435 L C 1.240 178.120 176.870 0.017 0.000 1.263 435 L CA -0.363 54.487 54.840 0.017 0.000 1.282 435 L CB 0.744 42.812 42.059 0.015 0.000 1.901 435 L HN 0.212 nan 8.230 nan 0.000 0.572 436 T N -2.992 111.571 114.554 0.014 0.000 2.919 436 T HA 0.447 4.797 4.350 0.001 0.000 0.282 436 T C 0.878 175.558 174.700 -0.033 0.000 1.020 436 T CA -0.775 61.328 62.100 0.006 0.000 0.994 436 T CB 0.920 69.798 68.868 0.015 0.000 1.180 436 T HN 0.401 nan 8.240 nan 0.000 0.566 437 L N -0.602 120.570 121.223 -0.085 0.000 2.217 437 L HA 0.067 4.408 4.340 0.001 0.000 0.211 437 L C 2.396 178.992 176.870 -0.457 0.000 1.107 437 L CA 0.897 55.608 54.840 -0.216 0.000 0.783 437 L CB -0.364 41.587 42.059 -0.181 0.000 0.919 437 L HN 0.710 nan 8.230 nan 0.000 0.442 438 W N 1.388 122.312 121.300 -0.627 0.000 2.494 438 W HA -0.082 4.579 4.660 0.001 0.000 0.286 438 W C 2.131 178.516 176.519 -0.223 0.000 1.218 438 W CA 0.918 57.941 57.345 -0.538 0.000 1.313 438 W CB -0.017 29.219 29.460 -0.373 0.000 1.105 438 W HN 0.245 nan 8.180 nan 0.000 0.561 439 Q N 0.427 120.296 119.800 0.115 0.000 2.123 439 Q HA -0.081 4.260 4.340 0.001 0.000 0.199 439 Q C 2.388 178.377 176.000 -0.019 0.000 0.966 439 Q CA 1.709 57.564 55.803 0.087 0.000 0.845 439 Q CB -0.536 28.253 28.738 0.084 0.000 0.907 439 Q HN 0.172 nan 8.270 nan 0.000 0.439 440 A N -0.323 122.469 122.820 -0.046 0.000 2.168 440 A HA -0.095 4.226 4.320 0.001 0.000 0.215 440 A C 1.956 179.495 177.584 -0.076 0.000 1.152 440 A CA 0.646 52.655 52.037 -0.046 0.000 0.716 440 A CB -0.407 18.573 19.000 -0.032 0.000 0.794 440 A HN 0.418 nan 8.150 nan 0.000 0.465 441 C N -2.498 116.713 119.300 -0.148 0.000 2.513 441 C HA 0.054 4.514 4.460 0.001 0.000 0.292 441 C C 2.932 177.803 174.990 -0.199 0.000 1.359 441 C CA 0.754 59.667 59.018 -0.175 0.000 1.778 441 C CB -0.614 26.976 27.740 -0.251 0.000 2.180 441 C HN 0.639 nan 8.230 nan 0.000 0.509 442 R N 0.907 121.250 120.500 -0.262 0.000 2.193 442 R HA -0.054 4.286 4.340 0.001 0.000 0.229 442 R C 1.696 177.947 176.300 -0.082 0.000 1.110 442 R CA 1.711 57.698 56.100 -0.188 0.000 0.988 442 R CB -0.772 29.454 30.300 -0.123 0.000 0.871 442 R HN 0.750 nan 8.270 nan 0.000 0.458 443 E N -0.034 120.128 120.200 -0.062 0.000 2.021 443 E HA 0.041 4.391 4.350 0.001 0.000 0.189 443 E C 2.000 178.582 176.600 -0.030 0.000 0.980 443 E CA 1.403 57.784 56.400 -0.031 0.000 0.803 443 E CB -0.158 29.531 29.700 -0.019 0.000 0.766 443 E HN 0.366 nan 8.360 nan 0.000 0.449 444 L N 1.347 122.549 121.223 -0.035 0.000 2.651 444 L HA -0.146 4.194 4.340 0.001 0.000 0.236 444 L C 1.960 178.815 176.870 -0.025 0.000 1.173 444 L CA 0.298 55.123 54.840 -0.025 0.000 0.843 444 L CB -0.273 41.773 42.059 -0.022 0.000 0.964 444 L HN 0.191 nan 8.230 nan 0.000 0.454 445 L N -1.153 120.048 121.223 -0.036 0.000 2.187 445 L HA -0.026 4.314 4.340 0.001 0.000 0.197 445 L C 1.489 178.348 176.870 -0.019 0.000 1.090 445 L CA 0.514 55.335 54.840 -0.031 0.000 0.781 445 L CB -0.140 41.890 42.059 -0.048 0.000 0.956 445 L HN 0.192 nan 8.230 nan 0.000 0.463 446 Q N 0.584 120.373 119.800 -0.018 0.000 2.380 446 Q HA -0.050 4.290 4.340 0.001 0.000 0.254 446 Q C 0.285 176.281 176.000 -0.006 0.000 0.927 446 Q CA 0.261 56.059 55.803 -0.008 0.000 0.950 446 Q CB 0.127 28.862 28.738 -0.004 0.000 1.206 446 Q HN 0.373 nan 8.270 nan 0.000 0.414 447 E N -0.406 119.790 120.200 -0.007 0.000 2.614 447 E HA -0.011 4.339 4.350 0.001 0.000 0.192 447 E C -0.923 175.675 176.600 -0.004 0.000 0.930 447 E CA -0.050 56.347 56.400 -0.005 0.000 1.346 447 E CB 0.706 30.402 29.700 -0.006 0.000 1.252 447 E HN -0.114 nan 8.360 nan 0.000 0.647 448 K N -0.005 120.391 120.400 -0.005 0.000 4.753 448 K HA -0.197 4.124 4.320 0.001 0.000 0.281 448 K C 0.146 176.744 176.600 -0.003 0.000 0.743 448 K CA 0.680 56.965 56.287 -0.004 0.000 0.788 448 K CB -1.742 30.757 32.500 -0.002 0.000 1.953 448 K HN 0.423 nan 8.250 nan 0.000 0.400 449 A N -0.875 121.943 122.820 -0.003 0.000 2.508 449 A HA 0.598 4.918 4.320 0.001 0.000 0.257 449 A C 0.599 178.182 177.584 -0.001 0.000 1.226 449 A CA 0.553 52.589 52.037 -0.002 0.000 0.947 449 A CB 0.471 19.470 19.000 -0.002 0.000 1.079 449 A HN 1.133 nan 8.150 nan 0.000 0.531 450 L N -1.209 120.013 121.223 -0.001 0.000 2.342 450 L HA 0.963 5.303 4.340 0.001 0.000 0.271 450 L C 0.820 177.690 176.870 0.000 0.000 1.008 450 L CA -0.686 54.154 54.840 -0.000 0.000 0.818 450 L CB 0.112 42.170 42.059 -0.000 0.000 1.296 450 L HN 0.842 nan 8.230 nan 0.000 0.427 451 A N 1.027 123.847 122.820 0.001 0.000 2.325 451 A HA 0.476 4.796 4.320 0.001 0.000 0.283 451 A C 1.733 179.318 177.584 0.001 0.000 1.211 451 A CA 0.911 52.948 52.037 0.001 0.000 0.850 451 A CB -0.792 18.208 19.000 0.000 0.000 1.122 451 A HN 2.342 nan 8.150 nan 0.000 0.515 452 G N -1.390 107.410 108.800 0.001 0.000 2.473 452 G HA2 -0.071 3.890 3.960 0.001 0.000 0.212 452 G HA3 -0.071 3.890 3.960 0.001 0.000 0.212 452 G C 1.468 176.369 174.900 0.002 0.000 1.211 452 G CA 0.609 45.710 45.100 0.002 0.000 0.813 452 G HN 0.647 nan 8.290 nan 0.000 0.541 453 R N 0.842 121.343 120.500 0.001 0.000 2.120 453 R HA -0.010 4.331 4.340 0.001 0.000 0.234 453 R C 2.859 179.160 176.300 0.000 0.000 1.123 453 R CA 1.029 57.130 56.100 0.001 0.000 0.975 453 R CB -0.553 29.746 30.300 -0.002 0.000 0.866 453 R HN 0.354 nan 8.270 nan 0.000 0.446 454 A N 1.785 124.605 122.820 -0.000 0.000 1.827 454 A HA -0.124 4.197 4.320 0.001 0.000 0.215 454 A C 2.397 179.983 177.584 0.004 0.000 1.212 454 A CA 1.820 53.857 52.037 -0.001 0.000 0.624 454 A CB -1.102 17.898 19.000 -0.001 0.000 0.853 454 A HN 0.356 nan 8.150 nan 0.000 0.450 455 A N -0.079 122.744 122.820 0.004 0.000 2.139 455 A HA -0.119 4.201 4.320 0.001 0.000 0.221 455 A C 2.399 179.989 177.584 0.011 0.000 1.159 455 A CA 2.508 54.549 52.037 0.006 0.000 0.662 455 A CB -1.081 17.920 19.000 0.001 0.000 0.796 455 A HN 1.178 nan 8.150 nan 0.000 0.463 456 S N -0.050 115.657 115.700 0.011 0.000 2.356 456 S HA 0.021 4.491 4.470 0.001 0.000 0.223 456 S C 2.029 176.644 174.600 0.025 0.000 1.032 456 S CA 1.482 59.690 58.200 0.015 0.000 1.005 456 S CB -0.605 62.601 63.200 0.011 0.000 0.867 456 S HN 0.910 nan 8.310 nan 0.000 0.449 457 A N 1.544 124.379 122.820 0.026 0.000 1.887 457 A HA 0.347 4.668 4.320 0.001 0.000 0.212 457 A C 2.114 179.741 177.584 0.073 0.000 1.198 457 A CA 0.915 52.976 52.037 0.041 0.000 0.628 457 A CB -0.993 18.019 19.000 0.019 0.000 0.847 457 A HN 0.530 nan 8.150 nan 0.000 0.449 458 L N -0.034 121.220 121.223 0.052 0.000 2.357 458 L HA -0.223 4.117 4.340 0.001 0.000 0.220 458 L C 2.111 179.049 176.870 0.114 0.000 1.123 458 L CA 2.612 57.503 54.840 0.085 0.000 0.782 458 L CB -0.724 41.363 42.059 0.046 0.000 0.910 458 L HN 0.567 nan 8.230 nan 0.000 0.442 459 Q N -1.331 118.510 119.800 0.070 0.000 2.165 459 Q HA -0.079 4.261 4.340 0.001 0.000 0.197 459 Q C 2.344 178.386 176.000 0.069 0.000 0.952 459 Q CA 1.395 57.222 55.803 0.040 0.000 0.848 459 Q CB 0.076 28.825 28.738 0.019 0.000 0.931 459 Q HN 0.290 nan 8.270 nan 0.000 0.470 460 R N -0.310 120.243 120.500 0.089 0.000 2.117 460 R HA -0.143 4.197 4.340 0.001 0.000 0.243 460 R C 2.097 178.487 176.300 0.150 0.000 1.143 460 R CA 1.435 57.593 56.100 0.097 0.000 0.968 460 R CB -1.657 28.697 30.300 0.091 0.000 0.863 460 R HN 0.523 nan 8.270 nan 0.000 0.444 461 F N 1.212 121.181 119.950 0.032 0.000 2.031 461 F HA -0.110 4.418 4.527 0.000 0.000 0.295 461 F C 2.367 178.236 175.800 0.114 0.000 1.133 461 F CA 1.623 59.661 58.000 0.064 0.000 1.188 461 F CB -0.546 38.469 39.000 0.026 0.000 0.974 461 F HN -0.048 nan 8.300 nan 0.000 0.473 462 M N 0.381 119.979 119.600 -0.004 0.000 2.116 462 M HA -0.294 4.186 4.480 0.001 0.000 0.255 462 M C 1.993 178.311 176.300 0.030 0.000 1.075 462 M CA 2.177 57.370 55.300 -0.179 0.000 1.087 462 M CB -1.403 31.023 32.600 -0.291 0.000 1.340 462 M HN 0.349 nan 8.290 nan 0.000 0.402 463 E N 0.070 120.287 120.200 0.028 0.000 2.072 463 E HA -0.190 4.161 4.350 0.001 0.000 0.191 463 E C 2.003 178.628 176.600 0.042 0.000 0.985 463 E CA 0.892 57.324 56.400 0.054 0.000 0.801 463 E CB -0.301 29.423 29.700 0.041 0.000 0.750 463 E HN 0.259 nan 8.360 nan 0.000 0.452 464 L N 1.686 122.917 121.223 0.013 0.000 1.970 464 L HA -0.200 4.141 4.340 0.001 0.000 0.212 464 L C 2.137 178.992 176.870 -0.024 0.000 1.071 464 L CA 1.672 56.509 54.840 -0.005 0.000 0.751 464 L CB -0.547 41.519 42.059 0.012 0.000 0.889 464 L HN 0.123 nan 8.230 nan 0.000 0.432 465 I N -0.240 120.297 120.570 -0.056 0.000 2.151 465 I HA -0.340 3.830 4.170 0.001 0.000 0.243 465 I C 2.107 178.228 176.117 0.007 0.000 1.080 465 I CA 1.650 62.939 61.300 -0.019 0.000 1.339 465 I CB -0.797 37.192 38.000 -0.019 0.000 1.039 465 I HN 0.329 nan 8.210 nan 0.000 0.409 466 D N 1.107 121.548 120.400 0.067 0.000 2.182 466 D HA -0.153 4.487 4.640 0.001 0.000 0.201 466 D C 2.242 178.554 176.300 0.020 0.000 0.986 466 D CA 1.579 55.613 54.000 0.056 0.000 0.847 466 D CB -0.071 40.806 40.800 0.128 0.000 0.942 466 D HN 0.421 nan 8.370 nan 0.000 0.467 467 A N 0.880 123.709 122.820 0.015 0.000 1.873 467 A HA -0.102 4.219 4.320 0.001 0.000 0.215 467 A C 2.431 180.005 177.584 -0.018 0.000 1.186 467 A CA 0.768 52.805 52.037 -0.001 0.000 0.616 467 A CB -0.740 18.258 19.000 -0.003 0.000 0.823 467 A HN 0.176 nan 8.150 nan 0.000 0.442 468 L N -0.654 120.551 121.223 -0.030 0.000 2.046 468 L HA -0.216 4.124 4.340 0.001 0.000 0.208 468 L C 3.126 179.975 176.870 -0.035 0.000 1.077 468 L CA 1.113 55.927 54.840 -0.044 0.000 0.747 468 L CB -0.787 41.235 42.059 -0.062 0.000 0.896 468 L HN 0.447 nan 8.230 nan 0.000 0.432 469 A N 0.134 122.936 122.820 -0.031 0.000 1.859 469 A HA -0.321 3.999 4.320 0.001 0.000 0.217 469 A C 2.428 179.995 177.584 -0.029 0.000 1.198 469 A CA 2.651 54.667 52.037 -0.035 0.000 0.629 469 A CB -1.085 17.887 19.000 -0.047 0.000 0.830 469 A HN 0.465 nan 8.150 nan 0.000 0.446 470 Q N -0.710 119.078 119.800 -0.020 0.000 2.369 470 Q HA -0.006 4.334 4.340 0.001 0.000 0.206 470 Q C 1.794 177.783 176.000 -0.017 0.000 0.963 470 Q CA 1.735 57.529 55.803 -0.015 0.000 0.894 470 Q CB -0.668 28.067 28.738 -0.006 0.000 0.965 470 Q HN 0.919 nan 8.270 nan 0.000 0.475 471 E N 0.010 120.197 120.200 -0.022 0.000 2.140 471 E HA -0.080 4.271 4.350 0.001 0.000 0.191 471 E C 1.641 178.223 176.600 -0.030 0.000 0.973 471 E CA 1.397 57.782 56.400 -0.024 0.000 0.829 471 E CB 0.470 30.155 29.700 -0.026 0.000 0.781 471 E HN 0.670 nan 8.360 nan 0.000 0.466 472 T N -2.497 112.036 114.554 -0.036 0.000 3.134 472 T HA 0.430 4.780 4.350 0.001 0.000 0.260 472 T C 1.513 176.189 174.700 -0.040 0.000 1.027 472 T CA 0.233 62.307 62.100 -0.043 0.000 0.913 472 T CB 0.860 69.698 68.868 -0.050 0.000 1.046 472 T HN 0.169 nan 8.240 nan 0.000 0.553 473 A N 2.181 124.981 122.820 -0.032 0.000 2.032 473 A HA -0.124 4.196 4.320 0.001 0.000 0.221 473 A C 1.954 179.521 177.584 -0.028 0.000 1.165 473 A CA 1.705 53.725 52.037 -0.029 0.000 0.645 473 A CB -0.402 18.584 19.000 -0.023 0.000 0.807 473 A HN 0.555 nan 8.150 nan 0.000 0.453 474 D N -0.050 120.333 120.400 -0.029 0.000 2.297 474 D HA 0.106 4.746 4.640 0.001 0.000 0.233 474 D C 1.156 177.434 176.300 -0.037 0.000 1.056 474 D CA 0.756 54.739 54.000 -0.028 0.000 0.938 474 D CB -0.797 39.988 40.800 -0.025 0.000 1.048 474 D HN 0.564 nan 8.370 nan 0.000 0.442 475 M N 1.987 121.559 119.600 -0.047 0.000 2.104 475 M HA -0.018 4.462 4.480 0.001 0.000 0.317 475 M C -2.128 174.124 176.300 -0.080 0.000 0.894 475 M CA -0.066 55.192 55.300 -0.069 0.000 0.924 475 M CB -1.078 31.468 32.600 -0.089 0.000 1.440 475 M HN -0.056 nan 8.290 nan 0.000 0.432 476 P HA -0.016 nan 4.420 nan 0.000 0.274 476 P C 0.377 177.605 177.300 -0.120 0.000 1.264 476 P CA -0.422 62.623 63.100 -0.092 0.000 0.795 476 P CB 0.534 32.185 31.700 -0.081 0.000 1.064 477 L N 0.957 122.155 121.223 -0.042 0.000 2.072 477 L HA -0.157 4.184 4.340 0.001 0.000 0.205 477 L C 2.792 179.620 176.870 -0.069 0.000 1.079 477 L CA 2.231 57.047 54.840 -0.039 0.000 0.752 477 L CB -1.981 40.099 42.059 0.035 0.000 0.906 477 L HN 0.560 nan 8.230 nan 0.000 0.436 478 H N -2.326 116.736 119.070 -0.014 0.000 2.421 478 H HA -0.098 4.458 4.556 0.001 0.000 0.298 478 H C 1.970 177.287 175.328 -0.018 0.000 1.087 478 H CA 1.762 57.799 56.048 -0.018 0.000 1.330 478 H CB -0.921 28.854 29.762 0.022 0.000 1.388 478 H HN 0.193 nan 8.280 nan 0.000 0.526 479 V N 0.030 119.592 119.914 -0.587 0.000 3.174 479 V HA -0.067 4.053 4.120 0.001 0.000 0.254 479 V C 2.319 178.310 176.094 -0.173 0.000 1.120 479 V CA 1.517 63.623 62.300 -0.323 0.000 1.114 479 V CB -0.190 31.395 31.823 -0.395 0.000 0.756 479 V HN 0.625 nan 8.190 nan 0.000 0.467 480 Q N -0.442 119.254 119.800 -0.174 0.000 2.124 480 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 480 Q C 2.038 177.992 176.000 -0.077 0.000 0.977 480 Q CA 2.298 58.037 55.803 -0.107 0.000 0.850 480 Q CB -0.097 28.584 28.738 -0.094 0.000 0.901 480 Q HN 0.646 nan 8.270 nan 0.000 0.429 481 T N 0.436 114.947 114.554 -0.073 0.000 2.904 481 T HA -0.126 4.224 4.350 0.001 0.000 0.267 481 T C 1.094 175.778 174.700 -0.027 0.000 1.059 481 T CA 1.327 63.399 62.100 -0.046 0.000 1.137 481 T CB -0.264 68.573 68.868 -0.051 0.000 0.879 481 T HN 0.403 nan 8.240 nan 0.000 0.467 482 D N 0.814 121.199 120.400 -0.025 0.000 2.144 482 D HA -0.052 4.588 4.640 0.001 0.000 0.199 482 D C 2.367 178.652 176.300 -0.025 0.000 0.984 482 D CA 1.018 55.011 54.000 -0.011 0.000 0.834 482 D CB 0.110 40.911 40.800 0.001 0.000 0.955 482 D HN 0.248 nan 8.370 nan 0.000 0.465 483 R N -0.365 120.109 120.500 -0.042 0.000 2.057 483 R HA -0.029 4.311 4.340 0.001 0.000 0.229 483 R C 2.464 178.725 176.300 -0.065 0.000 1.136 483 R CA 1.059 57.129 56.100 -0.050 0.000 0.952 483 R CB -0.472 29.796 30.300 -0.055 0.000 0.848 483 R HN 0.112 nan 8.270 nan 0.000 0.430 484 V N 1.821 121.692 119.914 -0.071 0.000 2.324 484 V HA -0.295 3.825 4.120 0.001 0.000 0.250 484 V C 2.332 178.352 176.094 -0.123 0.000 1.060 484 V CA 1.838 64.074 62.300 -0.108 0.000 1.042 484 V CB -0.503 31.284 31.823 -0.059 0.000 0.650 484 V HN 0.297 nan 8.190 nan 0.000 0.450 485 I N 0.279 120.819 120.570 -0.050 0.000 2.099 485 I HA -0.296 3.874 4.170 0.001 0.000 0.239 485 I C 2.935 179.038 176.117 -0.023 0.000 1.066 485 I CA 2.393 63.685 61.300 -0.013 0.000 1.324 485 I CB -0.687 37.321 38.000 0.012 0.000 1.037 485 I HN 0.386 nan 8.210 nan 0.000 0.401 486 K N -0.120 120.266 120.400 -0.025 0.000 2.025 486 K HA -0.193 4.128 4.320 0.001 0.000 0.207 486 K C 1.590 178.163 176.600 -0.043 0.000 1.049 486 K CA 1.950 58.226 56.287 -0.019 0.000 0.933 486 K CB -0.981 31.511 32.500 -0.013 0.000 0.714 486 K HN 0.316 nan 8.250 nan 0.000 0.438 487 D N 0.377 120.734 120.400 -0.072 0.000 2.371 487 D HA -0.033 4.608 4.640 0.001 0.000 0.234 487 D C 1.256 177.469 176.300 -0.145 0.000 1.049 487 D CA 1.329 55.276 54.000 -0.088 0.000 0.907 487 D CB 0.273 41.022 40.800 -0.084 0.000 0.891 487 D HN 0.597 nan 8.370 nan 0.000 0.531 488 S N -2.112 113.471 115.700 -0.195 0.000 2.559 488 S HA 0.369 4.839 4.470 0.001 0.000 0.226 488 S C 1.647 176.188 174.600 -0.099 0.000 1.000 488 S CA 0.447 58.454 58.200 -0.323 0.000 0.948 488 S CB 1.185 63.886 63.200 -0.833 0.000 0.870 488 S HN 0.208 nan 8.310 nan 0.000 0.497 489 G N 1.898 110.675 108.800 -0.039 0.000 2.284 489 G HA2 -0.304 3.656 3.960 0.001 0.000 0.230 489 G HA3 -0.304 3.656 3.960 0.001 0.000 0.230 489 G C 0.771 175.700 174.900 0.048 0.000 1.021 489 G CA 0.245 45.353 45.100 0.012 0.000 0.619 489 G HN 0.447 nan 8.290 nan 0.000 0.510 490 L N 0.516 121.797 121.223 0.097 0.000 2.021 490 L HA -0.143 4.197 4.340 0.001 0.000 0.215 490 L C 3.571 180.567 176.870 0.211 0.000 1.074 490 L CA 3.225 58.189 54.840 0.206 0.000 0.760 490 L CB -0.922 41.314 42.059 0.294 0.000 0.889 490 L HN 0.593 nan 8.230 nan 0.000 0.433 491 R N 0.218 120.790 120.500 0.120 0.000 2.096 491 R HA -0.197 4.143 4.340 0.001 0.000 0.240 491 R C 2.161 178.514 176.300 0.088 0.000 1.139 491 R CA 2.366 58.523 56.100 0.095 0.000 0.952 491 R CB -2.304 28.022 30.300 0.045 0.000 0.854 491 R HN 0.601 nan 8.270 nan 0.000 0.436 492 T N -0.510 114.078 114.554 0.056 0.000 2.985 492 T HA 0.024 4.374 4.350 0.001 0.000 0.266 492 T C 2.045 176.759 174.700 0.023 0.000 1.076 492 T CA 1.218 63.339 62.100 0.034 0.000 1.135 492 T CB -0.162 68.715 68.868 0.015 0.000 0.890 492 T HN 0.456 nan 8.240 nan 0.000 0.480 493 M N 0.507 120.117 119.600 0.016 0.000 2.074 493 M HA -0.056 4.424 4.480 0.001 0.000 0.259 493 M C 1.683 177.924 176.300 -0.098 0.000 1.079 493 M CA 1.718 56.970 55.300 -0.080 0.000 1.119 493 M CB -0.268 32.226 32.600 -0.177 0.000 1.297 493 M HN 0.187 nan 8.290 nan 0.000 0.416 494 Y N 0.584 120.890 120.300 0.011 0.000 2.651 494 Y HA -0.182 4.369 4.550 0.001 0.000 0.296 494 Y C 2.220 178.122 175.900 0.004 0.000 1.150 494 Y CA 1.208 59.312 58.100 0.006 0.000 1.348 494 Y CB -0.426 38.037 38.460 0.005 0.000 0.983 494 Y HN 0.466 nan 8.280 nan 0.000 0.555 495 E N 0.129 120.401 120.200 0.120 0.000 2.072 495 E HA -0.200 4.150 4.350 0.001 0.000 0.190 495 E C 2.340 178.965 176.600 0.042 0.000 0.982 495 E CA 1.402 57.846 56.400 0.073 0.000 0.803 495 E CB 0.074 29.805 29.700 0.051 0.000 0.755 495 E HN 0.575 nan 8.360 nan 0.000 0.453 496 Q N 0.072 119.883 119.800 0.018 0.000 1.956 496 Q HA 0.320 4.660 4.340 0.001 0.000 0.555 496 Q C 1.955 177.954 176.000 -0.002 0.000 0.966 496 Q CA 1.849 57.653 55.803 0.002 0.000 0.791 496 Q CB -1.551 27.179 28.738 -0.013 0.000 2.750 496 Q HN 0.342 nan 8.270 nan 0.000 0.344 497 E N -1.799 118.385 120.200 -0.027 0.000 4.560 497 E HA -0.412 3.939 4.350 0.001 0.000 0.192 497 E C 1.946 178.539 176.600 -0.012 0.000 1.355 497 E CA 4.760 61.138 56.400 -0.035 0.000 2.225 497 E CB -2.382 27.280 29.700 -0.062 0.000 1.915 497 E HN 1.577 nan 8.360 nan 0.000 0.298 498 K N -2.021 118.383 120.400 0.008 0.000 2.386 498 K HA 0.618 4.938 4.320 0.001 0.000 0.237 498 K C 2.972 179.578 176.600 0.010 0.000 1.122 498 K CA 1.574 57.868 56.287 0.011 0.000 0.838 498 K CB -0.418 32.095 32.500 0.022 0.000 1.364 498 K HN 2.208 nan 8.250 nan 0.000 0.440 499 G N -0.666 108.144 108.800 0.016 0.000 2.171 499 G HA2 0.176 4.137 3.960 0.001 0.000 0.238 499 G HA3 0.176 4.137 3.960 0.001 0.000 0.238 499 G C 0.444 175.349 174.900 0.009 0.000 1.039 499 G CA 1.483 46.590 45.100 0.012 0.000 0.759 499 G HN 1.460 nan 8.290 nan 0.000 0.501 500 E N -2.223 117.984 120.200 0.012 0.000 3.542 500 E HA 0.733 5.084 4.350 0.001 0.000 0.228 500 E C 1.754 178.361 176.600 0.011 0.000 1.260 500 E CA 1.304 57.709 56.400 0.008 0.000 1.344 500 E CB -0.625 29.079 29.700 0.006 0.000 2.701 500 E HN 1.548 nan 8.360 nan 0.000 0.629 501 K N 0.835 121.243 120.400 0.014 0.000 2.367 501 K HA 0.463 4.783 4.320 0.001 0.000 0.194 501 K C 2.046 178.664 176.600 0.029 0.000 1.027 501 K CA 1.118 57.414 56.287 0.015 0.000 1.075 501 K CB 0.143 32.650 32.500 0.011 0.000 0.845 501 K HN 0.777 nan 8.250 nan 0.000 0.529 502 G N -0.097 108.728 108.800 0.042 0.000 2.848 502 G HA2 0.167 4.127 3.960 0.001 0.000 0.208 502 G HA3 0.167 4.127 3.960 0.001 0.000 0.208 502 G C 1.610 176.545 174.900 0.058 0.000 1.152 502 G CA 1.118 46.261 45.100 0.072 0.000 0.789 502 G HN 0.681 nan 8.290 nan 0.000 0.531 503 Q N 0.370 120.190 119.800 0.033 0.000 1.994 503 Q HA -0.084 4.256 4.340 0.001 0.000 0.198 503 Q C 2.681 178.691 176.000 0.016 0.000 0.976 503 Q CA 2.082 57.899 55.803 0.024 0.000 0.828 503 Q CB -1.479 27.267 28.738 0.015 0.000 0.894 503 Q HN 0.560 nan 8.270 nan 0.000 0.432 504 T N -1.804 112.755 114.554 0.009 0.000 3.072 504 T HA -0.017 4.334 4.350 0.001 0.000 0.266 504 T C 1.836 176.529 174.700 -0.012 0.000 1.127 504 T CA 0.857 62.958 62.100 0.001 0.000 1.107 504 T CB -0.094 68.774 68.868 0.001 0.000 0.910 504 T HN 0.527 nan 8.240 nan 0.000 0.513 505 R N 0.153 120.646 120.500 -0.012 0.000 2.092 505 R HA 0.103 4.443 4.340 0.001 0.000 0.231 505 R C 2.183 178.418 176.300 -0.109 0.000 1.119 505 R CA 1.020 57.082 56.100 -0.063 0.000 0.970 505 R CB -0.366 29.938 30.300 0.007 0.000 0.864 505 R HN 0.425 nan 8.270 nan 0.000 0.440 506 I N 0.831 121.383 120.570 -0.029 0.000 2.716 506 I HA -0.070 4.100 4.170 0.001 0.000 0.259 506 I C 1.283 177.389 176.117 -0.019 0.000 1.172 506 I CA 1.449 62.737 61.300 -0.019 0.000 1.478 506 I CB 0.043 38.063 38.000 0.034 0.000 1.104 506 I HN 0.139 nan 8.210 nan 0.000 0.439 507 E N 0.083 120.277 120.200 -0.010 0.000 2.274 507 E HA -0.135 4.216 4.350 0.001 0.000 0.194 507 E C 1.765 178.373 176.600 0.012 0.000 0.996 507 E CA 0.811 57.212 56.400 0.000 0.000 0.840 507 E CB -0.147 29.553 29.700 0.000 0.000 0.772 507 E HN 0.638 nan 8.360 nan 0.000 0.491 508 N N 0.205 118.909 118.700 0.007 0.000 2.270 508 N HA -0.064 4.676 4.740 0.001 0.000 0.181 508 N C 1.710 177.258 175.510 0.063 0.000 1.016 508 N CA 0.388 53.483 53.050 0.075 0.000 0.870 508 N CB 0.116 38.607 38.487 0.007 0.000 0.979 508 N HN 0.096 nan 8.380 nan 0.000 0.431 509 L N 1.102 122.305 121.223 -0.034 0.000 2.275 509 L HA -0.101 4.239 4.340 0.001 0.000 0.215 509 L C 1.837 178.722 176.870 0.025 0.000 1.119 509 L CA 1.012 55.833 54.840 -0.032 0.000 0.790 509 L CB -0.213 41.803 42.059 -0.070 0.000 0.919 509 L HN 0.232 nan 8.230 nan 0.000 0.443 510 E N -0.546 119.671 120.200 0.028 0.000 2.122 510 E HA -0.176 4.175 4.350 0.001 0.000 0.190 510 E C 2.039 178.665 176.600 0.043 0.000 0.977 510 E CA 0.989 57.407 56.400 0.030 0.000 0.820 510 E CB 0.060 29.769 29.700 0.016 0.000 0.770 510 E HN 0.272 nan 8.360 nan 0.000 0.462 511 E N 1.070 121.301 120.200 0.052 0.000 2.204 511 E HA -0.135 4.216 4.350 0.001 0.000 0.194 511 E C 1.945 178.595 176.600 0.083 0.000 0.989 511 E CA 0.521 56.933 56.400 0.021 0.000 0.824 511 E CB -0.274 29.403 29.700 -0.039 0.000 0.756 511 E HN 0.258 nan 8.360 nan 0.000 0.477 512 L N -0.026 121.323 121.223 0.210 0.000 2.156 512 L HA 0.062 4.402 4.340 0.001 0.000 0.208 512 L C 2.407 179.379 176.870 0.169 0.000 1.095 512 L CA 1.519 56.530 54.840 0.285 0.000 0.770 512 L CB -0.398 41.792 42.059 0.219 0.000 0.914 512 L HN 0.218 nan 8.230 nan 0.000 0.439 513 V N -0.823 119.153 119.914 0.103 0.000 2.323 513 V HA -0.239 3.881 4.120 0.001 0.000 0.244 513 V C 2.450 178.598 176.094 0.090 0.000 1.041 513 V CA 2.110 64.460 62.300 0.083 0.000 1.025 513 V CB -1.003 30.862 31.823 0.069 0.000 0.656 513 V HN 0.494 nan 8.190 nan 0.000 0.451 514 T N 0.657 115.249 114.554 0.064 0.000 2.652 514 T HA -0.208 4.142 4.350 0.001 0.000 0.267 514 T C 2.113 176.863 174.700 0.084 0.000 1.039 514 T CA 1.797 63.919 62.100 0.037 0.000 1.153 514 T CB -0.558 68.310 68.868 -0.001 0.000 0.863 514 T HN 0.562 nan 8.240 nan 0.000 0.428 515 A N 1.672 124.570 122.820 0.129 0.000 1.958 515 A HA -0.223 4.097 4.320 0.001 0.000 0.221 515 A C 2.580 180.403 177.584 0.398 0.000 1.178 515 A CA 2.663 54.849 52.037 0.250 0.000 0.642 515 A CB -1.339 17.881 19.000 0.366 0.000 0.816 515 A HN 0.688 nan 8.150 nan 0.000 0.453 516 T N -2.675 112.043 114.554 0.274 0.000 2.942 516 T HA -0.070 4.280 4.350 0.001 0.000 0.265 516 T C 1.949 176.813 174.700 0.273 0.000 1.062 516 T CA 1.062 63.282 62.100 0.199 0.000 1.139 516 T CB -0.285 68.528 68.868 -0.092 0.000 0.883 516 T HN 0.540 nan 8.240 nan 0.000 0.468 517 R N 1.348 121.930 120.500 0.138 0.000 2.081 517 R HA -0.014 4.326 4.340 0.001 0.000 0.235 517 R C 1.703 178.009 176.300 0.010 0.000 1.131 517 R CA 1.263 57.299 56.100 -0.107 0.000 0.960 517 R CB -0.266 29.864 30.300 -0.283 0.000 0.856 517 R HN 0.458 nan 8.270 nan 0.000 0.436 518 Q N 0.064 119.927 119.800 0.106 0.000 2.292 518 Q HA 0.046 4.386 4.340 0.001 0.000 0.247 518 Q C -0.910 175.276 176.000 0.309 0.000 0.911 518 Q CA -0.157 55.729 55.803 0.139 0.000 0.948 518 Q CB 0.116 28.912 28.738 0.097 0.000 1.093 518 Q HN 0.125 nan 8.270 nan 0.000 0.428 530 P HA -0.200 nan 4.420 nan 0.000 0.222 530 P C 2.209 179.608 177.300 0.165 0.000 1.159 530 P CA 3.347 66.553 63.100 0.177 0.000 0.920 530 P CB 0.047 31.828 31.700 0.135 0.000 0.793 531 L N -1.492 119.774 121.223 0.072 0.000 2.012 531 L HA -0.201 4.139 4.340 0.001 0.000 0.210 531 L C 2.756 179.666 176.870 0.067 0.000 1.073 531 L CA 3.307 58.179 54.840 0.054 0.000 0.748 531 L CB -2.629 39.434 42.059 0.006 0.000 0.891 531 L HN 0.212 nan 8.230 nan 0.000 0.431 532 Q N -1.124 118.678 119.800 0.002 0.000 2.172 532 Q HA 0.259 4.599 4.340 0.001 0.000 0.200 532 Q C 2.483 178.472 176.000 -0.019 0.000 0.964 532 Q CA 2.252 58.025 55.803 -0.051 0.000 0.855 532 Q CB -0.953 27.704 28.738 -0.135 0.000 0.918 532 Q HN 1.286 nan 8.270 nan 0.000 0.444 533 A N -0.703 122.137 122.820 0.034 0.000 2.016 533 A HA 0.200 4.521 4.320 0.001 0.000 0.217 533 A C 1.991 179.562 177.584 -0.022 0.000 1.162 533 A CA 1.162 53.238 52.037 0.066 0.000 0.662 533 A CB -0.446 18.648 19.000 0.156 0.000 0.812 533 A HN 0.723 nan 8.150 nan 0.000 0.450 534 F N 1.060 120.853 119.950 -0.261 0.000 2.102 534 F HA -0.132 4.395 4.527 0.001 0.000 0.298 534 F C 1.729 177.251 175.800 -0.463 0.000 1.105 534 F CA 1.695 59.309 58.000 -0.643 0.000 1.239 534 F CB -0.380 38.360 39.000 -0.433 0.000 0.991 534 F HN 0.139 nan 8.300 nan 0.000 0.474 535 L N -0.504 120.432 121.223 -0.479 0.000 2.191 535 L HA -0.202 4.138 4.340 0.001 0.000 0.212 535 L C 2.433 179.033 176.870 -0.450 0.000 1.103 535 L CA 1.268 55.739 54.840 -0.614 0.000 0.769 535 L CB -0.965 40.883 42.059 -0.351 0.000 0.908 535 L HN 0.116 nan 8.230 nan 0.000 0.438 536 S N -1.881 113.663 115.700 -0.259 0.000 2.395 536 S HA -0.166 4.304 4.470 0.001 0.000 0.225 536 S C 1.910 176.449 174.600 -0.101 0.000 1.027 536 S CA 0.554 58.678 58.200 -0.126 0.000 0.965 536 S CB -0.366 62.837 63.200 0.005 0.000 0.812 536 S HN 0.498 nan 8.310 nan 0.000 0.482 537 H N 1.003 119.909 119.070 -0.272 0.000 2.387 537 H HA -0.112 4.444 4.556 0.000 0.000 0.299 537 H C 2.241 177.421 175.328 -0.246 0.000 1.099 537 H CA 1.190 57.116 56.048 -0.203 0.000 1.315 537 H CB -0.070 29.537 29.762 -0.258 0.000 1.380 537 H HN 0.435 nan 8.280 nan 0.000 0.513 538 A N 0.737 123.342 122.820 -0.360 0.000 1.930 538 A HA -0.048 4.273 4.320 0.001 0.000 0.217 538 A C 2.567 180.033 177.584 -0.196 0.000 1.175 538 A CA 1.214 53.051 52.037 -0.334 0.000 0.627 538 A CB -0.747 17.949 19.000 -0.506 0.000 0.815 538 A HN 0.549 nan 8.150 nan 0.000 0.443 539 A N -0.281 122.425 122.820 -0.189 0.000 1.933 539 A HA 0.015 4.336 4.320 0.001 0.000 0.218 539 A C 2.154 179.684 177.584 -0.089 0.000 1.175 539 A CA 1.386 53.350 52.037 -0.123 0.000 0.628 539 A CB -0.463 18.463 19.000 -0.122 0.000 0.814 539 A HN 0.472 nan 8.150 nan 0.000 0.444 540 L N -0.998 120.173 121.223 -0.087 0.000 1.993 540 L HA -0.139 4.201 4.340 0.001 0.000 0.206 540 L C 2.524 179.359 176.870 -0.059 0.000 1.074 540 L CA 1.475 56.280 54.840 -0.058 0.000 0.746 540 L CB -0.763 41.276 42.059 -0.034 0.000 0.896 540 L HN 0.404 nan 8.230 nan 0.000 0.435 541 E N 0.279 120.407 120.200 -0.121 0.000 2.284 541 E HA -0.254 4.096 4.350 0.001 0.000 0.200 541 E C 1.922 178.494 176.600 -0.046 0.000 1.008 541 E CA 0.986 57.316 56.400 -0.116 0.000 0.829 541 E CB -0.153 29.412 29.700 -0.225 0.000 0.744 541 E HN 0.490 nan 8.360 nan 0.000 0.491 542 A N 0.998 123.799 122.820 -0.031 0.000 2.248 542 A HA 0.029 4.350 4.320 0.001 0.000 0.210 542 A C 1.253 178.932 177.584 0.159 0.000 1.174 542 A CA 0.939 52.990 52.037 0.024 0.000 0.750 542 A CB 0.005 19.016 19.000 0.018 0.000 0.780 542 A HN 0.172 nan 8.150 nan 0.000 0.478 543 G N -0.681 108.200 108.800 0.135 0.000 3.114 543 G HA2 0.625 4.585 3.960 0.001 0.000 0.320 543 G HA3 0.625 4.585 3.960 0.001 0.000 0.320 543 G C 0.016 175.019 174.900 0.172 0.000 1.453 543 G CA 0.680 45.884 45.100 0.173 0.000 1.084 543 G HN 1.103 nan 8.290 nan 0.000 0.516 550 W N 2.118 123.428 121.300 0.016 0.000 1.664 550 W HA 0.427 5.088 4.660 0.001 0.000 0.545 550 W C -0.774 175.752 176.519 0.012 0.000 0.677 550 W CA -0.512 56.846 57.345 0.022 0.000 2.314 550 W CB -1.474 28.003 29.460 0.029 0.000 1.370 550 W HN 0.442 nan 8.180 nan 0.000 0.206 551 Q N 1.191 121.040 119.800 0.082 0.000 2.401 551 Q HA 0.063 4.404 4.340 0.001 0.000 0.260 551 Q C -0.522 175.516 176.000 0.063 0.000 1.034 551 Q CA -0.993 54.822 55.803 0.020 0.000 0.737 551 Q CB 1.717 30.417 28.738 -0.062 0.000 1.227 551 Q HN 0.264 nan 8.270 nan 0.000 0.488 552 D N 2.176 122.633 120.400 0.096 0.000 2.819 552 D HA 0.167 4.807 4.640 0.001 0.000 0.236 552 D C -0.562 175.785 176.300 0.078 0.000 1.181 552 D CA 1.005 55.067 54.000 0.103 0.000 0.855 552 D CB 0.160 41.019 40.800 0.098 0.000 1.146 552 D HN 0.744 nan 8.370 nan 0.000 0.540 553 A N 3.119 125.996 122.820 0.095 0.000 2.520 553 A HA 0.508 4.828 4.320 0.001 0.000 0.298 553 A C -0.683 176.973 177.584 0.120 0.000 1.051 553 A CA -0.828 51.255 52.037 0.077 0.000 0.690 553 A CB 1.344 20.348 19.000 0.006 0.000 1.281 553 A HN 0.270 nan 8.150 nan 0.000 0.402 554 V N 3.047 123.036 119.914 0.125 0.000 2.740 554 V HA 0.114 4.235 4.120 0.001 0.000 0.303 554 V C 0.108 176.286 176.094 0.140 0.000 1.054 554 V CA 0.069 62.438 62.300 0.114 0.000 1.106 554 V CB 0.858 32.733 31.823 0.087 0.000 0.957 554 V HN 0.826 nan 8.190 nan 0.000 0.486 555 Q N 4.218 124.068 119.800 0.083 0.000 2.278 555 Q HA 0.551 4.891 4.340 0.001 0.000 0.257 555 Q C -1.272 174.764 176.000 0.060 0.000 0.928 555 Q CA -0.715 55.169 55.803 0.135 0.000 0.932 555 Q CB 2.014 30.759 28.738 0.011 0.000 1.221 555 Q HN 0.427 nan 8.270 nan 0.000 0.434 556 L N 4.216 125.563 121.223 0.207 0.000 2.362 556 L HA 0.635 4.975 4.340 0.001 0.000 0.275 556 L C -0.088 176.878 176.870 0.161 0.000 0.998 556 L CA -0.166 54.782 54.840 0.180 0.000 0.820 556 L CB 1.650 43.881 42.059 0.287 0.000 1.270 556 L HN 0.736 nan 8.230 nan 0.000 0.415 557 M N 0.024 119.512 119.600 -0.186 0.000 2.956 557 M HA 0.474 4.954 4.480 0.001 0.000 0.272 557 M C -0.753 175.040 176.300 -0.846 0.000 1.132 557 M CA -0.793 54.338 55.300 -0.282 0.000 0.805 557 M CB 1.728 34.285 32.600 -0.072 0.000 1.639 557 M HN 0.444 nan 8.290 nan 0.000 0.520 558 T N -0.621 113.638 114.554 -0.491 0.000 2.766 558 T HA 0.427 4.777 4.350 0.001 0.000 0.295 558 T C 1.035 175.579 174.700 -0.259 0.000 1.024 558 T CA -0.638 61.224 62.100 -0.395 0.000 1.018 558 T CB 0.743 69.600 68.868 -0.018 0.000 1.002 558 T HN 0.673 nan 8.240 nan 0.000 0.532 559 L N 0.096 121.185 121.223 -0.224 0.000 2.201 559 L HA -0.022 4.318 4.340 0.001 0.000 0.212 559 L C 2.661 179.436 176.870 -0.157 0.000 1.105 559 L CA 1.280 55.988 54.840 -0.221 0.000 0.775 559 L CB -0.710 41.154 42.059 -0.325 0.000 0.913 559 L HN 0.787 nan 8.230 nan 0.000 0.440 560 H N -1.077 117.954 119.070 -0.065 0.000 2.261 560 H HA -0.100 4.456 4.556 0.001 0.000 0.301 560 H C 2.508 177.870 175.328 0.058 0.000 1.067 560 H CA 1.830 57.885 56.048 0.012 0.000 1.297 560 H CB -0.181 29.639 29.762 0.097 0.000 1.377 560 H HN 0.091 nan 8.280 nan 0.000 0.492 561 S N -0.072 115.739 115.700 0.185 0.000 2.441 561 S HA -0.232 4.238 4.470 0.001 0.000 0.242 561 S C 2.188 176.811 174.600 0.038 0.000 1.018 561 S CA 0.827 59.087 58.200 0.099 0.000 0.988 561 S CB -0.354 62.879 63.200 0.054 0.000 0.778 561 S HN 0.562 nan 8.310 nan 0.000 0.498 562 A N 0.935 123.762 122.820 0.012 0.000 2.021 562 A HA 0.105 4.425 4.320 0.001 0.000 0.216 562 A C 1.076 178.673 177.584 0.021 0.000 1.163 562 A CA 0.289 52.341 52.037 0.025 0.000 0.676 562 A CB -0.235 18.776 19.000 0.019 0.000 0.818 562 A HN 0.418 nan 8.150 nan 0.000 0.453 563 K N -0.090 120.321 120.400 0.018 0.000 2.504 563 K HA 0.193 4.514 4.320 0.001 0.000 0.278 563 K C 1.082 177.693 176.600 0.019 0.000 1.025 563 K CA 0.965 57.263 56.287 0.017 0.000 1.093 563 K CB -0.240 32.291 32.500 0.050 0.000 0.873 563 K HN 0.673 nan 8.250 nan 0.000 0.483 564 G N 3.181 111.971 108.800 -0.017 0.000 2.339 564 G HA2 -0.222 3.738 3.960 0.001 0.000 0.209 564 G HA3 -0.222 3.738 3.960 0.001 0.000 0.209 564 G C 0.056 174.895 174.900 -0.101 0.000 1.015 564 G CA -0.047 45.033 45.100 -0.034 0.000 0.635 564 G HN 0.491 nan 8.290 nan 0.000 0.499 565 L N 1.179 122.318 121.223 -0.139 0.000 2.448 565 L HA 0.775 5.115 4.340 0.001 0.000 0.258 565 L C 0.545 177.164 176.870 -0.418 0.000 1.104 565 L CA -0.542 54.111 54.840 -0.311 0.000 0.800 565 L CB 1.050 42.903 42.059 -0.344 0.000 1.241 565 L HN 0.590 nan 8.230 nan 0.000 0.472 566 E N -0.029 119.696 120.200 -0.791 0.000 2.372 566 E HA 0.647 4.997 4.350 0.001 0.000 0.279 566 E C -1.849 174.137 176.600 -1.024 0.000 0.946 566 E CA -0.738 55.275 56.400 -0.645 0.000 0.769 566 E CB 2.063 31.568 29.700 -0.325 0.000 1.230 566 E HN 0.308 nan 8.360 nan 0.000 0.442 567 F N 0.112 120.008 119.950 -0.091 0.000 2.608 567 F HA 0.366 4.893 4.527 0.001 0.000 0.309 567 F C -2.194 173.538 175.800 -0.114 0.000 1.103 567 F CA -2.251 55.696 58.000 -0.087 0.000 0.954 567 F CB 2.039 40.981 39.000 -0.097 0.000 1.267 567 F HN 0.275 nan 8.300 nan 0.000 0.444 568 P HA -0.115 nan 4.420 nan 0.000 0.216 568 P C -0.381 176.773 177.300 -0.243 0.000 1.150 568 P CA 1.555 64.635 63.100 -0.034 0.000 0.837 568 P CB 0.283 32.042 31.700 0.097 0.000 0.786 569 Q N -0.545 119.041 119.800 -0.356 0.000 2.330 569 Q HA 0.434 4.774 4.340 0.001 0.000 0.269 569 Q C -1.179 174.599 176.000 -0.369 0.000 1.022 569 Q CA -0.567 54.925 55.803 -0.518 0.000 0.796 569 Q CB 2.917 31.171 28.738 -0.807 0.000 1.271 569 Q HN -0.149 nan 8.270 nan 0.000 0.450 570 V N 3.250 122.878 119.914 -0.476 0.000 2.656 570 V HA 0.566 4.686 4.120 0.001 0.000 0.307 570 V C -1.069 174.680 176.094 -0.575 0.000 1.051 570 V CA -0.648 61.442 62.300 -0.350 0.000 0.893 570 V CB 1.668 33.389 31.823 -0.170 0.000 0.999 570 V HN 0.576 nan 8.190 nan 0.000 0.426 571 F N 4.341 124.225 119.950 -0.110 0.000 2.499 571 F HA 0.610 5.138 4.527 0.001 0.000 0.333 571 F C -0.013 175.781 175.800 -0.011 0.000 1.138 571 F CA -0.480 57.497 58.000 -0.038 0.000 0.945 571 F CB 1.483 40.459 39.000 -0.039 0.000 1.181 571 F HN 0.202 nan 8.300 nan 0.000 0.435 572 I N 5.093 125.760 120.570 0.161 0.000 2.312 572 I HA 0.436 4.606 4.170 0.001 0.000 0.290 572 I C -0.244 175.995 176.117 0.204 0.000 1.008 572 I CA -1.089 60.295 61.300 0.140 0.000 1.226 572 I CB 1.181 39.248 38.000 0.112 0.000 1.371 572 I HN 0.342 nan 8.210 nan 0.000 0.468 573 V N 2.238 122.269 119.914 0.195 0.000 2.834 573 V HA 0.879 4.999 4.120 0.001 0.000 0.313 573 V C 0.891 177.098 176.094 0.188 0.000 1.060 573 V CA -0.085 62.331 62.300 0.194 0.000 0.989 573 V CB 1.176 33.093 31.823 0.156 0.000 1.041 573 V HN 1.054 nan 8.190 nan 0.000 0.459 574 G N 2.718 111.631 108.800 0.188 0.000 2.160 574 G HA2 -0.186 3.774 3.960 0.001 0.000 0.244 574 G HA3 -0.186 3.774 3.960 0.001 0.000 0.244 574 G C 0.121 175.179 174.900 0.264 0.000 1.022 574 G CA 0.205 45.424 45.100 0.199 0.000 0.741 574 G HN 0.778 nan 8.290 nan 0.000 0.508 575 M N 1.341 121.122 119.600 0.301 0.000 3.593 575 M HA 0.255 4.736 4.480 0.001 0.000 0.204 575 M C 0.556 176.946 176.300 0.150 0.000 1.569 575 M CA 0.596 56.071 55.300 0.292 0.000 1.694 575 M CB -1.300 31.468 32.600 0.281 0.000 1.149 575 M HN 0.436 nan 8.290 nan 0.000 0.552 576 E N 0.337 120.619 120.200 0.137 0.000 2.238 576 E HA 0.299 4.649 4.350 0.001 0.000 0.267 576 E C -0.462 176.084 176.600 -0.090 0.000 0.887 576 E CA -0.841 55.592 56.400 0.055 0.000 0.769 576 E CB 1.931 31.759 29.700 0.213 0.000 1.187 576 E HN 0.201 nan 8.360 nan 0.000 0.416 577 E N 0.953 121.047 120.200 -0.176 0.000 2.351 577 E HA 0.146 4.496 4.350 0.001 0.000 0.266 577 E C 0.689 177.053 176.600 -0.394 0.000 1.031 577 E CA 0.637 56.878 56.400 -0.265 0.000 0.911 577 E CB 1.032 30.598 29.700 -0.224 0.000 0.986 577 E HN 0.903 nan 8.360 nan 0.000 0.446 578 G N 3.179 111.780 108.800 -0.332 0.000 2.211 578 G HA2 -0.207 3.753 3.960 0.001 0.000 0.201 578 G HA3 -0.207 3.753 3.960 0.001 0.000 0.201 578 G C 0.756 175.519 174.900 -0.228 0.000 0.997 578 G CA 0.143 45.011 45.100 -0.388 0.000 0.652 578 G HN 0.424 nan 8.290 nan 0.000 0.500 579 M N -1.316 118.218 119.600 -0.111 0.000 2.627 579 M HA 0.513 4.994 4.480 0.001 0.000 0.236 579 M C 0.190 176.619 176.300 0.214 0.000 1.483 579 M CA 0.562 55.902 55.300 0.066 0.000 1.139 579 M CB 0.463 33.140 32.600 0.129 0.000 1.399 579 M HN 0.369 nan 8.290 nan 0.000 0.549 580 F N 3.316 123.243 119.950 -0.039 0.000 3.395 580 F HA 0.341 4.869 4.527 0.000 0.000 0.382 580 F C -2.585 173.123 175.800 -0.154 0.000 1.264 580 F CA -1.624 56.388 58.000 0.020 0.000 1.277 580 F CB 1.477 40.548 39.000 0.118 0.000 1.780 580 F HN -0.174 nan 8.300 nan 0.000 0.691 581 P HA 0.019 nan 4.420 nan 0.000 0.263 581 P C -0.121 177.158 177.300 -0.034 0.000 1.195 581 P CA 0.365 63.357 63.100 -0.180 0.000 0.762 581 P CB 1.177 32.707 31.700 -0.285 0.000 0.799 582 S N 2.276 118.037 115.700 0.101 0.000 2.569 582 S HA -0.072 4.398 4.470 0.001 0.000 0.274 582 S C 1.482 176.065 174.600 -0.028 0.000 1.353 582 S CA -0.099 58.131 58.200 0.050 0.000 1.023 582 S CB 0.462 63.705 63.200 0.073 0.000 0.876 582 S HN 0.425 nan 8.310 nan 0.000 0.540 583 Q N 1.488 121.254 119.800 -0.057 0.000 2.014 583 Q HA -0.158 4.182 4.340 0.001 0.000 0.207 583 Q C 2.090 178.053 176.000 -0.061 0.000 0.993 583 Q CA 2.548 58.303 55.803 -0.080 0.000 0.850 583 Q CB -0.597 28.090 28.738 -0.084 0.000 0.916 583 Q HN 0.875 nan 8.270 nan 0.000 0.417 584 M N -0.135 119.433 119.600 -0.053 0.000 2.113 584 M HA -0.283 4.198 4.480 0.001 0.000 0.255 584 M C 2.289 178.569 176.300 -0.033 0.000 1.073 584 M CA 2.193 57.462 55.300 -0.051 0.000 1.091 584 M CB -0.943 31.622 32.600 -0.059 0.000 1.309 584 M HN 0.396 nan 8.290 nan 0.000 0.407 585 S N 0.985 116.678 115.700 -0.013 0.000 2.407 585 S HA -0.187 4.284 4.470 0.001 0.000 0.235 585 S C 1.779 176.376 174.600 -0.004 0.000 1.036 585 S CA 1.549 59.756 58.200 0.012 0.000 1.013 585 S CB -1.132 62.096 63.200 0.046 0.000 0.820 585 S HN 0.533 nan 8.310 nan 0.000 0.476 586 L N 1.286 122.491 121.223 -0.030 0.000 2.191 586 L HA -0.090 4.251 4.340 0.001 0.000 0.212 586 L C 2.452 179.303 176.870 -0.031 0.000 1.103 586 L CA 1.391 56.206 54.840 -0.041 0.000 0.769 586 L CB -0.644 41.376 42.059 -0.065 0.000 0.908 586 L HN 0.314 nan 8.230 nan 0.000 0.438 587 D N 0.485 120.866 120.400 -0.031 0.000 2.091 587 D HA -0.156 4.485 4.640 0.001 0.000 0.199 587 D C 2.269 178.560 176.300 -0.016 0.000 0.980 587 D CA 1.659 55.642 54.000 -0.029 0.000 0.831 587 D CB -0.043 40.734 40.800 -0.038 0.000 0.987 587 D HN 0.417 nan 8.370 nan 0.000 0.460 588 E N 0.751 120.946 120.200 -0.009 0.000 2.510 588 E HA 0.082 4.432 4.350 0.001 0.000 0.202 588 E C 1.724 178.334 176.600 0.015 0.000 1.072 588 E CA 1.373 57.776 56.400 0.006 0.000 0.883 588 E CB -1.099 28.611 29.700 0.016 0.000 0.818 588 E HN 0.386 nan 8.360 nan 0.000 0.548 589 G N -0.548 108.258 108.800 0.010 0.000 4.861 589 G HA2 -0.367 3.593 3.960 0.001 0.000 0.226 589 G HA3 -0.367 3.593 3.960 0.001 0.000 0.226 589 G C 1.955 176.869 174.900 0.023 0.000 1.350 589 G CA 0.974 46.082 45.100 0.012 0.000 1.018 589 G HN 1.505 nan 8.290 nan 0.000 0.712 590 G N -0.261 108.558 108.800 0.032 0.000 2.534 590 G HA2 0.111 4.072 3.960 0.001 0.000 0.217 590 G HA3 0.111 4.072 3.960 0.001 0.000 0.217 590 G C 1.726 176.659 174.900 0.055 0.000 1.128 590 G CA 1.691 46.814 45.100 0.040 0.000 0.784 590 G HN 0.732 nan 8.290 nan 0.000 0.542 591 R N -0.354 120.183 120.500 0.061 0.000 2.148 591 R HA 0.158 4.499 4.340 0.001 0.000 0.227 591 R C 2.531 178.882 176.300 0.086 0.000 1.103 591 R CA 0.827 56.978 56.100 0.084 0.000 0.983 591 R CB -0.997 29.350 30.300 0.077 0.000 0.874 591 R HN 0.542 nan 8.270 nan 0.000 0.451 592 L N 1.022 122.284 121.223 0.064 0.000 2.042 592 L HA -0.157 4.184 4.340 0.001 0.000 0.210 592 L C 2.216 179.141 176.870 0.091 0.000 1.076 592 L CA 1.887 56.772 54.840 0.076 0.000 0.749 592 L CB -0.277 41.808 42.059 0.043 0.000 0.893 592 L HN 0.297 nan 8.230 nan 0.000 0.432 593 E N -0.637 119.597 120.200 0.056 0.000 2.268 593 E HA -0.278 4.072 4.350 0.001 0.000 0.195 593 E C 1.882 178.496 176.600 0.022 0.000 0.995 593 E CA 1.121 57.538 56.400 0.029 0.000 0.836 593 E CB 0.050 29.755 29.700 0.010 0.000 0.763 593 E HN 0.639 nan 8.360 nan 0.000 0.491 594 E N 1.165 121.400 120.200 0.059 0.000 2.072 594 E HA -0.176 4.174 4.350 0.001 0.000 0.190 594 E C 1.825 178.478 176.600 0.089 0.000 0.982 594 E CA 0.822 57.267 56.400 0.075 0.000 0.803 594 E CB 0.235 30.011 29.700 0.126 0.000 0.755 594 E HN 0.070 nan 8.360 nan 0.000 0.453 595 E N 0.620 120.901 120.200 0.134 0.000 2.077 595 E HA -0.212 4.139 4.350 0.001 0.000 0.193 595 E C 2.125 178.691 176.600 -0.056 0.000 0.989 595 E CA 0.885 57.407 56.400 0.202 0.000 0.800 595 E CB -0.299 29.577 29.700 0.292 0.000 0.746 595 E HN 0.275 nan 8.360 nan 0.000 0.452 596 R N 0.929 121.321 120.500 -0.181 0.000 2.152 596 R HA -0.069 4.271 4.340 0.001 0.000 0.232 596 R C 2.278 178.394 176.300 -0.306 0.000 1.117 596 R CA 0.983 56.730 56.100 -0.588 0.000 0.981 596 R CB 0.096 30.208 30.300 -0.313 0.000 0.870 596 R HN 0.036 nan 8.270 nan 0.000 0.451 597 R N -0.096 120.334 120.500 -0.116 0.000 2.073 597 R HA -0.094 4.246 4.340 0.001 0.000 0.229 597 R C 2.245 178.566 176.300 0.035 0.000 1.120 597 R CA 0.979 57.060 56.100 -0.031 0.000 0.967 597 R CB -0.359 29.925 30.300 -0.027 0.000 0.862 597 R HN 0.173 nan 8.270 nan 0.000 0.436 598 L N 0.854 122.093 121.223 0.026 0.000 2.131 598 L HA -0.076 4.264 4.340 0.001 0.000 0.210 598 L C 2.185 179.145 176.870 0.150 0.000 1.092 598 L CA 1.634 56.495 54.840 0.034 0.000 0.759 598 L CB -0.400 41.702 42.059 0.072 0.000 0.903 598 L HN 0.104 nan 8.230 nan 0.000 0.435 599 A N -1.499 121.413 122.820 0.154 0.000 1.930 599 A HA -0.254 4.066 4.320 0.001 0.000 0.217 599 A C 2.246 179.837 177.584 0.012 0.000 1.175 599 A CA 1.521 53.620 52.037 0.103 0.000 0.627 599 A CB -1.054 17.587 19.000 -0.598 0.000 0.815 599 A HN 0.607 nan 8.150 nan 0.000 0.443 600 Y N 0.600 120.814 120.300 -0.143 0.000 2.145 600 Y HA -0.190 4.360 4.550 0.000 0.000 0.286 600 Y C 2.288 178.149 175.900 -0.065 0.000 1.145 600 Y CA 1.920 59.956 58.100 -0.106 0.000 1.148 600 Y CB -0.497 37.898 38.460 -0.108 0.000 0.981 600 Y HN 0.056 nan 8.280 nan 0.000 0.507 601 V N 0.459 120.339 119.914 -0.056 0.000 2.233 601 V HA -0.335 3.786 4.120 0.001 0.000 0.247 601 V C 2.669 178.670 176.094 -0.155 0.000 1.050 601 V CA 2.170 64.386 62.300 -0.139 0.000 1.010 601 V CB -1.618 30.165 31.823 -0.067 0.000 0.637 601 V HN 0.661 nan 8.190 nan 0.000 0.444 602 G N -0.304 108.444 108.800 -0.088 0.000 2.553 602 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 602 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 602 G C 1.686 176.537 174.900 -0.082 0.000 1.195 602 G CA 1.519 46.578 45.100 -0.068 0.000 0.779 602 G HN 0.381 nan 8.290 nan 0.000 0.577 603 V N 1.771 121.630 119.914 -0.093 0.000 2.287 603 V HA -0.199 3.921 4.120 0.001 0.000 0.248 603 V C 3.112 179.108 176.094 -0.163 0.000 1.053 603 V CA 2.395 64.630 62.300 -0.108 0.000 1.027 603 V CB -1.220 30.541 31.823 -0.102 0.000 0.646 603 V HN 0.676 nan 8.190 nan 0.000 0.447 604 T N -1.583 112.805 114.554 -0.277 0.000 3.308 604 T HA -0.042 4.309 4.350 0.001 0.000 0.255 604 T C 1.483 176.076 174.700 -0.179 0.000 1.162 604 T CA 0.301 62.230 62.100 -0.286 0.000 1.031 604 T CB -0.277 68.288 68.868 -0.503 0.000 0.973 604 T HN 0.358 nan 8.240 nan 0.000 0.544 605 R N 1.123 121.555 120.500 -0.113 0.000 2.223 605 R HA 0.469 4.809 4.340 0.001 0.000 0.198 605 R C 1.157 177.447 176.300 -0.016 0.000 0.984 605 R CA 0.207 56.281 56.100 -0.043 0.000 1.018 605 R CB -0.944 29.398 30.300 0.071 0.000 0.945 605 R HN 0.521 nan 8.270 nan 0.000 0.479 606 A N 1.285 124.074 122.820 -0.051 0.000 2.450 606 A HA 0.342 4.663 4.320 0.001 0.000 0.255 606 A C 0.992 178.535 177.584 -0.068 0.000 1.096 606 A CA -0.073 51.926 52.037 -0.063 0.000 0.778 606 A CB 0.307 19.244 19.000 -0.105 0.000 1.031 606 A HN 0.142 nan 8.150 nan 0.000 0.494 607 M N 0.848 120.414 119.600 -0.057 0.000 2.556 607 M HA -0.001 4.479 4.480 0.001 0.000 0.259 607 M C 2.079 178.357 176.300 -0.037 0.000 1.175 607 M CA 1.171 56.444 55.300 -0.045 0.000 1.202 607 M CB -0.033 32.551 32.600 -0.027 0.000 1.298 607 M HN 0.880 nan 8.290 nan 0.000 0.492 608 Q N -0.264 119.509 119.800 -0.045 0.000 2.388 608 Q HA 0.109 4.449 4.340 0.001 0.000 0.204 608 Q C 0.252 176.215 176.000 -0.061 0.000 0.946 608 Q CA 0.591 56.378 55.803 -0.027 0.000 0.880 608 Q CB 0.774 29.523 28.738 0.018 0.000 0.997 608 Q HN -0.009 nan 8.270 nan 0.000 0.552 609 K N 0.472 120.790 120.400 -0.136 0.000 2.468 609 K HA 0.459 4.779 4.320 0.001 0.000 0.252 609 K C -2.072 174.376 176.600 -0.254 0.000 0.932 609 K CA -0.592 55.593 56.287 -0.171 0.000 0.794 609 K CB 1.811 34.194 32.500 -0.194 0.000 1.241 609 K HN -0.015 nan 8.250 nan 0.000 0.428 610 L N 2.056 123.153 121.223 -0.209 0.000 2.381 610 L HA 0.722 5.062 4.340 0.001 0.000 0.268 610 L C -1.434 175.310 176.870 -0.210 0.000 0.997 610 L CA 0.217 54.919 54.840 -0.231 0.000 0.818 610 L CB 2.529 44.513 42.059 -0.125 0.000 1.310 610 L HN 0.716 nan 8.230 nan 0.000 0.416 611 T N 5.624 120.020 114.554 -0.263 0.000 2.928 611 T HA 0.598 4.948 4.350 0.001 0.000 0.296 611 T C -0.816 173.931 174.700 0.078 0.000 1.000 611 T CA -0.368 61.687 62.100 -0.074 0.000 0.989 611 T CB 1.070 69.890 68.868 -0.080 0.000 1.005 611 T HN 0.478 nan 8.240 nan 0.000 0.442 612 L N 3.475 124.794 121.223 0.159 0.000 2.329 612 L HA 0.817 5.157 4.340 0.001 0.000 0.279 612 L C 0.450 177.480 176.870 0.267 0.000 1.014 612 L CA -0.888 54.079 54.840 0.211 0.000 0.814 612 L CB 1.892 44.068 42.059 0.196 0.000 1.257 612 L HN 0.762 nan 8.230 nan 0.000 0.424 613 T N -0.814 113.908 114.554 0.280 0.000 2.909 613 T HA 0.725 5.075 4.350 0.001 0.000 0.299 613 T C -1.058 173.788 174.700 0.244 0.000 1.073 613 T CA -0.698 61.529 62.100 0.211 0.000 0.999 613 T CB 1.942 70.950 68.868 0.235 0.000 1.098 613 T HN 0.511 nan 8.240 nan 0.000 0.477 614 Y N -0.340 119.981 120.300 0.034 0.000 2.571 614 Y HA 0.868 5.418 4.550 0.000 0.000 0.341 614 Y C -0.790 175.089 175.900 -0.036 0.000 1.076 614 Y CA -1.801 56.313 58.100 0.024 0.000 1.029 614 Y CB 0.981 39.457 38.460 0.028 0.000 1.308 614 Y HN 0.995 nan 8.280 nan 0.000 0.461 615 A N 1.733 124.590 122.820 0.061 0.000 2.312 615 A HA 0.473 4.793 4.320 0.001 0.000 0.328 615 A C 0.538 178.141 177.584 0.031 0.000 1.158 615 A CA -0.638 51.366 52.037 -0.055 0.000 0.821 615 A CB 1.005 19.966 19.000 -0.065 0.000 1.170 615 A HN 1.012 nan 8.150 nan 0.000 0.490 616 E N -0.006 120.188 120.200 -0.010 0.000 2.106 616 E HA -0.051 4.299 4.350 0.001 0.000 0.192 616 E C 0.455 177.076 176.600 0.035 0.000 0.984 616 E CA 1.536 57.980 56.400 0.074 0.000 0.806 616 E CB 0.203 29.959 29.700 0.094 0.000 0.750 616 E HN 0.660 nan 8.360 nan 0.000 0.458 617 T N -1.083 113.424 114.554 -0.078 0.000 2.868 617 T HA 0.514 4.864 4.350 0.001 0.000 0.306 617 T C -1.866 172.680 174.700 -0.257 0.000 1.224 617 T CA -0.906 61.009 62.100 -0.308 0.000 1.012 617 T CB 1.342 69.962 68.868 -0.414 0.000 1.221 617 T HN 0.219 nan 8.240 nan 0.000 0.499 618 R N -0.276 120.021 120.500 -0.339 0.000 2.664 618 R HA 0.734 5.075 4.340 0.001 0.000 0.266 618 R C -1.441 174.722 176.300 -0.228 0.000 1.046 618 R CA -1.201 54.768 56.100 -0.219 0.000 0.885 618 R CB 0.890 31.099 30.300 -0.151 0.000 1.254 618 R HN 0.598 nan 8.270 nan 0.000 0.465 619 R N 0.397 120.812 120.500 -0.143 0.000 2.246 619 R HA 0.769 5.109 4.340 0.001 0.000 0.332 619 R C -0.548 175.720 176.300 -0.054 0.000 0.974 619 R CA -0.131 55.906 56.100 -0.104 0.000 0.837 619 R CB 0.020 30.274 30.300 -0.077 0.000 1.145 619 R HN 0.662 nan 8.270 nan 0.000 0.467 620 L N 2.413 123.639 121.223 0.005 0.000 2.296 620 L HA 0.775 5.115 4.340 0.001 0.000 0.286 620 L C 0.164 177.187 176.870 0.255 0.000 1.023 620 L CA -1.721 53.196 54.840 0.128 0.000 0.812 620 L CB -0.510 41.684 42.059 0.225 0.000 1.223 620 L HN 0.999 nan 8.230 nan 0.000 0.421 621 Y N 1.523 121.808 120.300 -0.025 0.000 2.987 621 Y HA -0.004 4.546 4.550 0.000 0.000 0.177 621 Y C 1.580 177.468 175.900 -0.020 0.000 1.560 621 Y CA 1.253 59.342 58.100 -0.019 0.000 0.893 621 Y CB -1.265 37.188 38.460 -0.011 0.000 1.372 621 Y HN 2.038 nan 8.280 nan 0.000 0.397 622 G N 0.131 108.956 108.800 0.041 0.000 2.306 622 G HA2 0.257 4.217 3.960 0.001 0.000 0.274 622 G HA3 0.257 4.217 3.960 0.001 0.000 0.274 622 G C -0.019 174.902 174.900 0.035 0.000 0.890 622 G CA 1.090 46.204 45.100 0.023 0.000 1.298 622 G HN 1.492 nan 8.290 nan 0.000 0.445 623 K N 0.823 121.234 120.400 0.019 0.000 2.584 623 K HA 0.599 4.920 4.320 0.001 0.000 0.260 623 K C -0.219 176.355 176.600 -0.042 0.000 0.949 623 K CA -0.137 56.157 56.287 0.012 0.000 0.888 623 K CB 0.620 33.143 32.500 0.038 0.000 1.330 623 K HN 0.574 nan 8.250 nan 0.000 0.432 624 E N 2.095 122.262 120.200 -0.054 0.000 1.858 624 E HA 0.256 4.606 4.350 0.001 0.000 0.267 624 E C 0.722 177.122 176.600 -0.333 0.000 1.215 624 E CA -0.414 55.874 56.400 -0.187 0.000 0.952 624 E CB 0.341 29.989 29.700 -0.086 0.000 1.058 624 E HN 0.599 nan 8.360 nan 0.000 0.407 625 V N 1.101 120.758 119.914 -0.428 0.000 2.997 625 V HA 0.396 4.516 4.120 0.001 0.000 0.311 625 V C -0.762 174.841 176.094 -0.818 0.000 1.066 625 V CA -0.618 61.440 62.300 -0.403 0.000 1.039 625 V CB 0.478 32.121 31.823 -0.300 0.000 1.081 625 V HN 0.388 nan 8.190 nan 0.000 0.467 626 Y N 1.625 121.824 120.300 -0.168 0.000 2.349 626 Y HA 0.582 5.132 4.550 0.000 0.000 0.324 626 Y C 0.197 176.092 175.900 -0.009 0.000 1.005 626 Y CA -0.454 57.582 58.100 -0.108 0.000 1.240 626 Y CB 0.874 39.317 38.460 -0.028 0.000 1.117 626 Y HN 0.793 nan 8.280 nan 0.000 0.463 627 H N 1.555 120.680 119.070 0.092 0.000 2.496 627 H HA 0.559 5.115 4.556 0.000 0.000 0.342 627 H C -0.056 175.302 175.328 0.051 0.000 1.170 627 H CA -1.213 54.868 56.048 0.055 0.000 1.274 627 H CB 1.302 31.080 29.762 0.025 0.000 1.538 627 H HN 0.370 nan 8.280 nan 0.000 0.542 628 R N 1.561 122.142 120.500 0.135 0.000 2.500 628 R HA 0.254 4.594 4.340 0.001 0.000 0.277 628 R C -2.472 173.787 176.300 -0.068 0.000 1.026 628 R CA -1.950 54.161 56.100 0.019 0.000 1.058 628 R CB 0.982 31.264 30.300 -0.030 0.000 1.078 628 R HN 0.468 nan 8.270 nan 0.000 0.509 629 P HA -0.056 nan 4.420 nan 0.000 0.269 629 P C -0.417 176.687 177.300 -0.327 0.000 1.217 629 P CA 0.131 62.943 63.100 -0.480 0.000 0.783 629 P CB 0.516 31.704 31.700 -0.854 0.000 0.898 630 S N 1.377 116.889 115.700 -0.314 0.000 2.533 630 S HA 0.018 4.488 4.470 0.001 0.000 0.282 630 S C 1.578 175.979 174.600 -0.331 0.000 1.304 630 S CA -0.415 57.583 58.200 -0.337 0.000 1.063 630 S CB 0.056 63.085 63.200 -0.285 0.000 0.881 630 S HN 0.440 nan 8.310 nan 0.000 0.493 631 R N 4.350 124.599 120.500 -0.418 0.000 2.159 631 R HA -0.135 4.206 4.340 0.001 0.000 0.237 631 R C 1.464 177.702 176.300 -0.103 0.000 1.131 631 R CA 1.880 57.820 56.100 -0.268 0.000 0.982 631 R CB -0.771 29.360 30.300 -0.283 0.000 0.868 631 R HN 0.742 nan 8.270 nan 0.000 0.453 632 F N 1.379 121.234 119.950 -0.159 0.000 2.202 632 F HA -0.133 4.394 4.527 0.000 0.000 0.301 632 F C 2.298 178.051 175.800 -0.080 0.000 1.082 632 F CA 0.498 58.416 58.000 -0.136 0.000 1.313 632 F CB -0.195 38.682 39.000 -0.206 0.000 1.024 632 F HN -0.057 nan 8.300 nan 0.000 0.495 633 I N 0.077 120.695 120.570 0.081 0.000 2.163 633 I HA -0.213 3.957 4.170 0.001 0.000 0.240 633 I C 2.823 178.953 176.117 0.022 0.000 1.081 633 I CA 1.557 62.880 61.300 0.038 0.000 1.353 633 I CB -1.080 36.894 38.000 -0.044 0.000 1.054 633 I HN 0.114 nan 8.210 nan 0.000 0.407 634 G N 0.046 108.839 108.800 -0.011 0.000 2.448 634 G HA2 -0.201 3.760 3.960 0.001 0.000 0.219 634 G HA3 -0.201 3.760 3.960 0.001 0.000 0.219 634 G C 1.476 176.385 174.900 0.015 0.000 1.127 634 G CA 0.400 45.495 45.100 -0.008 0.000 0.766 634 G HN 0.421 nan 8.290 nan 0.000 0.552 635 E N -0.382 119.842 120.200 0.040 0.000 2.338 635 E HA 0.055 4.405 4.350 0.001 0.000 0.197 635 E C 0.718 177.340 176.600 0.037 0.000 1.007 635 E CA -0.205 56.223 56.400 0.046 0.000 0.849 635 E CB -0.038 29.712 29.700 0.083 0.000 0.774 635 E HN 0.387 nan 8.360 nan 0.000 0.506 636 L N 1.598 122.845 121.223 0.040 0.000 2.453 636 L HA 0.197 4.537 4.340 0.001 0.000 0.261 636 L C -2.136 174.750 176.870 0.027 0.000 1.179 636 L CA -2.102 52.759 54.840 0.034 0.000 0.813 636 L CB -0.214 41.870 42.059 0.040 0.000 1.110 636 L HN -0.228 nan 8.230 nan 0.000 0.466 637 P HA 0.106 nan 4.420 nan 0.000 0.276 637 P C 0.064 177.378 177.300 0.023 0.000 1.264 637 P CA -0.217 62.896 63.100 0.022 0.000 0.769 637 P CB 0.635 32.347 31.700 0.021 0.000 0.840 638 E N 2.694 122.906 120.200 0.021 0.000 2.169 638 E HA -0.266 4.084 4.350 0.001 0.000 0.202 638 E C 1.395 178.010 176.600 0.025 0.000 1.016 638 E CA 1.238 57.652 56.400 0.023 0.000 0.817 638 E CB 0.042 29.754 29.700 0.020 0.000 0.736 638 E HN 0.629 nan 8.360 nan 0.000 0.462 639 E N 0.192 120.405 120.200 0.022 0.000 2.511 639 E HA -0.090 4.261 4.350 0.001 0.000 0.196 639 E C 1.297 177.911 176.600 0.023 0.000 1.066 639 E CA 0.432 56.845 56.400 0.022 0.000 0.871 639 E CB -0.129 29.582 29.700 0.019 0.000 0.863 639 E HN 0.261 nan 8.360 nan 0.000 0.520 640 C N 0.421 119.735 119.300 0.024 0.000 3.019 640 C HA 0.345 4.806 4.460 0.001 0.000 0.295 640 C C 0.790 175.797 174.990 0.028 0.000 1.256 640 C CA -0.406 58.626 59.018 0.023 0.000 1.706 640 C CB 0.230 27.983 27.740 0.021 0.000 2.153 640 C HN 0.104 nan 8.230 nan 0.000 0.618 641 V N 1.478 121.413 119.914 0.035 0.000 2.555 641 V HA 0.415 4.535 4.120 0.001 0.000 0.302 641 V C -0.549 175.576 176.094 0.050 0.000 1.038 641 V CA -0.359 61.968 62.300 0.045 0.000 0.887 641 V CB 1.898 33.752 31.823 0.051 0.000 0.991 641 V HN 0.350 nan 8.190 nan 0.000 0.434 642 E N 3.216 123.452 120.200 0.060 0.000 2.182 642 E HA 0.346 4.696 4.350 0.001 0.000 0.258 642 E C -0.585 176.065 176.600 0.084 0.000 0.879 642 E CA -0.486 55.953 56.400 0.066 0.000 0.754 642 E CB 1.442 31.181 29.700 0.064 0.000 1.162 642 E HN 0.794 nan 8.360 nan 0.000 0.419 643 E N 2.878 123.125 120.200 0.079 0.000 2.373 643 E HA 0.122 4.472 4.350 0.001 0.000 0.267 643 E C -0.670 175.990 176.600 0.100 0.000 1.032 643 E CA -0.522 55.931 56.400 0.088 0.000 0.889 643 E CB 1.096 30.839 29.700 0.071 0.000 0.984 643 E HN 0.300 nan 8.360 nan 0.000 0.425 644 V N 5.984 125.974 119.914 0.126 0.000 2.439 644 V HA 0.045 4.165 4.120 0.001 0.000 0.271 644 V C 0.532 176.698 176.094 0.120 0.000 1.040 644 V CA -0.011 62.394 62.300 0.176 0.000 1.002 644 V CB 0.086 32.098 31.823 0.315 0.000 1.000 644 V HN 0.614 nan 8.190 nan 0.000 0.477 645 R N 5.857 126.422 120.500 0.109 0.000 2.389 645 R HA 0.346 4.686 4.340 0.001 0.000 0.295 645 R C -0.053 176.298 176.300 0.086 0.000 1.075 645 R CA -0.454 55.692 56.100 0.076 0.000 1.005 645 R CB 0.560 30.899 30.300 0.065 0.000 0.987 645 R HN 0.664 nan 8.270 nan 0.000 0.452 646 L N 2.249 123.504 121.223 0.053 0.000 2.628 646 L HA 0.218 4.558 4.340 0.001 0.000 0.229 646 L C 0.482 177.382 176.870 0.049 0.000 1.137 646 L CA -0.172 54.703 54.840 0.058 0.000 0.909 646 L CB -0.652 41.417 42.059 0.017 0.000 1.137 646 L HN 0.717 nan 8.230 nan 0.000 0.470 647 R N -2.038 118.488 120.500 0.044 0.000 2.680 647 R HA 0.713 5.053 4.340 0.001 0.000 0.269 647 R C 0.107 176.430 176.300 0.038 0.000 1.026 647 R CA -0.126 55.996 56.100 0.036 0.000 0.889 647 R CB 1.243 31.558 30.300 0.024 0.000 1.241 647 R HN -0.190 nan 8.270 nan 0.000 0.463 648 A N 1.580 124.420 122.820 0.033 0.000 1.828 648 A HA 0.111 4.431 4.320 0.001 0.000 0.215 648 A C 1.309 178.911 177.584 0.029 0.000 1.203 648 A CA 2.057 54.113 52.037 0.032 0.000 0.614 648 A CB -1.227 17.790 19.000 0.028 0.000 0.844 648 A HN 0.976 nan 8.150 nan 0.000 0.445 649 T N -1.695 112.873 114.554 0.023 0.000 2.927 649 T HA 0.632 4.983 4.350 0.001 0.000 0.281 649 T C 0.057 174.769 174.700 0.020 0.000 0.998 649 T CA -0.105 62.008 62.100 0.021 0.000 1.019 649 T CB 0.200 69.078 68.868 0.017 0.000 1.061 649 T HN 1.332 nan 8.240 nan 0.000 0.518 650 V N 2.114 122.039 119.914 0.019 0.000 2.614 650 V HA 0.522 4.642 4.120 0.001 0.000 0.291 650 V C 1.067 177.170 176.094 0.015 0.000 1.049 650 V CA -0.249 62.061 62.300 0.018 0.000 1.038 650 V CB -0.009 31.825 31.823 0.017 0.000 0.980 650 V HN 1.184 nan 8.190 nan 0.000 0.481 651 S N 4.233 119.941 115.700 0.013 0.000 2.629 651 S HA 0.196 4.666 4.470 0.001 0.000 0.302 651 S C 0.383 174.989 174.600 0.011 0.000 1.244 651 S CA 0.375 58.582 58.200 0.011 0.000 1.098 651 S CB -0.088 63.118 63.200 0.010 0.000 0.858 651 S HN 1.402 nan 8.310 nan 0.000 0.502 652 R N 4.763 125.269 120.500 0.010 0.000 2.502 652 R HA 0.182 4.523 4.340 0.001 0.000 0.292 652 R C -2.061 174.245 176.300 0.010 0.000 0.998 652 R CA -1.115 54.990 56.100 0.009 0.000 1.056 652 R CB -0.968 29.337 30.300 0.008 0.000 0.939 652 R HN 0.839 nan 8.270 nan 0.000 0.411 653 P HA 0.068 nan 4.420 nan 0.000 0.265 653 P C -0.635 176.673 177.300 0.014 0.000 1.222 653 P CA -0.026 63.082 63.100 0.013 0.000 0.767 653 P CB 0.907 32.615 31.700 0.013 0.000 0.801 654 V N 4.248 124.171 119.914 0.016 0.000 2.370 654 V HA 0.212 4.332 4.120 0.001 0.000 0.279 654 V C 0.708 176.818 176.094 0.027 0.000 1.029 654 V CA -0.295 62.014 62.300 0.015 0.000 0.870 654 V CB 1.192 33.021 31.823 0.010 0.000 0.984 654 V HN 0.820 nan 8.190 nan 0.000 0.451 655 S N 5.937 121.653 115.700 0.026 0.000 2.587 655 S HA 0.160 4.630 4.470 0.001 0.000 0.260 655 S C 0.177 174.817 174.600 0.067 0.000 1.353 655 S CA -0.272 57.956 58.200 0.047 0.000 0.995 655 S CB 0.287 63.507 63.200 0.034 0.000 0.912 655 S HN 0.930 nan 8.310 nan 0.000 0.568 656 H N 0.678 119.746 119.070 -0.002 0.000 2.562 656 H HA 0.236 4.792 4.556 0.000 0.000 0.352 656 H C -0.567 174.759 175.328 -0.003 0.000 1.125 656 H CA -0.203 55.844 56.048 -0.003 0.000 1.379 656 H CB 0.553 30.313 29.762 -0.003 0.000 1.464 656 H HN 0.657 nan 8.280 nan 0.000 0.563 657 Q N 4.388 123.737 119.800 -0.750 0.000 2.348 657 Q HA 0.253 4.594 4.340 0.001 0.000 0.265 657 Q C -0.254 175.399 176.000 -0.578 0.000 0.998 657 Q CA -0.763 54.750 55.803 -0.483 0.000 0.831 657 Q CB 1.894 30.473 28.738 -0.264 0.000 1.251 657 Q HN 0.475 nan 8.270 nan 0.000 0.456 658 R N 2.782 123.125 120.500 -0.261 0.000 2.488 658 R HA 0.133 4.473 4.340 0.001 0.000 0.306 658 R C -0.566 175.693 176.300 -0.069 0.000 1.271 658 R CA 0.431 56.480 56.100 -0.085 0.000 1.022 658 R CB 0.182 30.485 30.300 0.006 0.000 1.054 658 R HN 0.368 nan 8.270 nan 0.000 0.500 659 M N 1.091 120.653 119.600 -0.064 0.000 2.151 659 M HA 0.205 4.685 4.480 0.001 0.000 0.290 659 M C 0.683 176.981 176.300 -0.003 0.000 0.965 659 M CA -0.529 54.748 55.300 -0.037 0.000 0.930 659 M CB 1.968 34.534 32.600 -0.056 0.000 1.560 659 M HN 0.535 nan 8.290 nan 0.000 0.438 660 G N 0.979 109.781 108.800 0.003 0.000 3.448 660 G HA2 0.050 4.011 3.960 0.001 0.000 0.261 660 G HA3 0.050 4.011 3.960 0.001 0.000 0.261 660 G C 0.633 175.535 174.900 0.003 0.000 1.173 660 G CA 0.088 45.194 45.100 0.010 0.000 0.835 660 G HN 0.647 nan 8.290 nan 0.000 0.534 661 T N 2.291 116.843 114.554 -0.003 0.000 3.591 661 T HA 0.517 4.867 4.350 0.001 0.000 0.232 661 T C 0.085 174.782 174.700 -0.004 0.000 1.116 661 T CA 0.243 62.340 62.100 -0.006 0.000 1.063 661 T CB -1.294 67.567 68.868 -0.011 0.000 1.227 661 T HN 0.800 nan 8.240 nan 0.000 0.685 662 P HA 0.000 nan 4.420 nan 0.000 0.216 662 P CA 0.000 63.100 63.100 0.001 0.000 0.800 662 P CB 0.000 31.699 31.700 -0.001 0.000 0.726