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 3nne_1_E DATA FIRST_RESID 1 DATA SEQUENCE MHIDNIENLS DREFDYIVVG GGSAGAAVAA RLSEDPAVSV ALVEAGPDDR DATA SEQUENCE GVPEVLQLDR WMELLESGYD WDYPIEPQEN GNSFMRHARA KVMGGCSSHN DATA SEQUENCE ACIAFWAPRE DLDEWEAKYG ATGWNAEAAW PLYKRLETNE DAGPDAPHHG DATA SEQUENCE DSGPVHLMNV PPKDPTGVAL LDACEQAGIP RAKFNTGTTV VNGANFFQIN DATA SEQUENCE RRADGTRSSS SVSYIHPIVE QENFTLLTGL RARQLVFDAD RRCTGVDIVD DATA SEQUENCE SAFGHTHRLT ARNEVVLSTG AIDTPKLLML SGIGPAAHLA EHGIEVLVDS DATA SEQUENCE PGVGEHLQDH PEGVVQFEAK QPMVAESTQW WEIGIFTPTE DGLDRPDLMM DATA SEQUENCE HYGSVPFDMN TLRHGYPTTE NGFSLTPNVT HARSRGTVRL RSRDFRDKPM DATA SEQUENCE VDPRYFTDPE GHDMRVMVAG IRKAREIAAQ PAMAEWTGRE LSPGVEAQTD DATA SEQUENCE EELQDYIRKT HNTVYHPVGT VRMGAVEDEM SPLDPELRVK GVTGLRVADA DATA SEQUENCE SVMPEHVTVN PNITVMMIGE RCADLIRSAR 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 0.000 176.353 176.300 0.089 0.000 1.140 1 M CA 0.000 55.348 55.300 0.080 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 H N 3.950 123.019 119.070 -0.001 0.000 2.787 2 H HA 0.564 5.120 4.556 0.000 0.000 0.275 2 H C -1.419 173.896 175.328 -0.021 0.000 1.183 2 H CA -0.680 55.359 56.048 -0.015 0.000 1.290 2 H CB 0.412 30.178 29.762 0.008 0.000 1.438 2 H HN 0.609 nan 8.280 nan 0.000 0.487 3 I N 5.479 125.990 120.570 -0.099 0.000 2.325 3 I HA 0.090 4.261 4.170 0.000 0.000 0.291 3 I C 0.432 176.398 176.117 -0.251 0.000 1.019 3 I CA -0.191 61.002 61.300 -0.178 0.000 1.302 3 I CB 1.237 39.196 38.000 -0.069 0.000 1.401 3 I HN 0.729 nan 8.210 nan 0.000 0.485 4 D N 3.774 123.984 120.400 -0.316 0.000 2.599 4 D HA 0.117 4.757 4.640 0.000 0.000 0.249 4 D C -0.269 175.965 176.300 -0.110 0.000 1.313 4 D CA -0.238 53.641 54.000 -0.203 0.000 0.815 4 D CB 0.229 40.879 40.800 -0.250 0.000 1.077 4 D HN 0.235 nan 8.370 nan 0.000 0.492 5 N N 0.971 119.610 118.700 -0.103 0.000 2.621 5 N HA 0.168 4.908 4.740 0.000 0.000 0.271 5 N C 0.564 176.020 175.510 -0.091 0.000 1.181 5 N CA -0.540 52.465 53.050 -0.074 0.000 0.805 5 N CB 1.436 39.885 38.487 -0.064 0.000 1.351 5 N HN -0.100 nan 8.380 nan 0.000 0.539 6 I N 1.603 122.108 120.570 -0.108 0.000 2.290 6 I HA -0.264 3.906 4.170 0.000 0.000 0.253 6 I C 1.295 177.297 176.117 -0.191 0.000 1.112 6 I CA 1.840 63.039 61.300 -0.167 0.000 1.377 6 I CB 0.236 38.068 38.000 -0.280 0.000 1.060 6 I HN 0.532 nan 8.210 nan 0.000 0.428 7 E N -0.216 119.881 120.200 -0.171 0.000 2.512 7 E HA -0.053 4.297 4.350 0.000 0.000 0.195 7 E C 1.119 177.668 176.600 -0.084 0.000 1.083 7 E CA 0.108 56.429 56.400 -0.133 0.000 0.873 7 E CB -0.112 29.528 29.700 -0.100 0.000 0.897 7 E HN 0.502 nan 8.360 nan 0.000 0.514 8 N N 0.227 118.880 118.700 -0.078 0.000 2.254 8 N HA 0.050 4.790 4.740 0.000 0.000 0.190 8 N C -0.312 175.168 175.510 -0.050 0.000 1.107 8 N CA 0.041 53.056 53.050 -0.058 0.000 0.869 8 N CB 0.532 38.984 38.487 -0.059 0.000 0.983 8 N HN 0.126 nan 8.380 nan 0.000 0.487 9 L N 0.495 121.686 121.223 -0.054 0.000 2.272 9 L HA 0.386 4.726 4.340 0.000 0.000 0.289 9 L C 1.001 177.844 176.870 -0.046 0.000 1.032 9 L CA 0.083 54.903 54.840 -0.033 0.000 0.810 9 L CB 1.385 43.443 42.059 -0.002 0.000 1.205 9 L HN -0.161 nan 8.230 nan 0.000 0.422 10 S N 2.092 117.762 115.700 -0.051 0.000 2.329 10 S HA -0.029 4.441 4.470 0.000 0.000 0.215 10 S C 0.039 174.582 174.600 -0.096 0.000 1.031 10 S CA 0.931 59.092 58.200 -0.065 0.000 0.985 10 S CB -0.230 62.933 63.200 -0.061 0.000 0.917 10 S HN 0.822 nan 8.310 nan 0.000 0.441 11 D N 0.634 120.945 120.400 -0.148 0.000 2.312 11 D HA 0.237 4.877 4.640 0.000 0.000 0.252 11 D C 0.760 176.862 176.300 -0.330 0.000 1.150 11 D CA -0.070 53.776 54.000 -0.256 0.000 0.870 11 D CB 0.607 41.196 40.800 -0.352 0.000 1.153 11 D HN -0.062 nan 8.370 nan 0.000 0.457 12 R N 2.468 122.826 120.500 -0.236 0.000 2.334 12 R HA 0.105 4.445 4.340 0.000 0.000 0.216 12 R C -0.053 176.151 176.300 -0.159 0.000 0.905 12 R CA 0.028 56.061 56.100 -0.111 0.000 1.064 12 R CB 0.240 30.526 30.300 -0.023 0.000 1.046 12 R HN 0.506 nan 8.270 nan 0.000 0.508 13 E N 0.638 120.607 120.200 -0.384 0.000 2.114 13 E HA 0.316 4.666 4.350 0.000 0.000 0.266 13 E C -1.226 175.096 176.600 -0.463 0.000 0.896 13 E CA -0.312 55.926 56.400 -0.269 0.000 0.750 13 E CB 0.570 30.165 29.700 -0.175 0.000 1.121 13 E HN -0.182 nan 8.360 nan 0.000 0.413 14 F N 1.718 121.639 119.950 -0.047 0.000 2.575 14 F HA 0.283 4.810 4.527 0.000 0.000 0.330 14 F C 1.154 176.905 175.800 -0.082 0.000 1.056 14 F CA -0.862 57.112 58.000 -0.044 0.000 0.964 14 F CB 1.224 40.211 39.000 -0.021 0.000 1.258 14 F HN 0.375 nan 8.300 nan 0.000 0.484 15 D N -0.289 120.167 120.400 0.094 0.000 2.194 15 D HA -0.045 4.595 4.640 0.000 0.000 0.204 15 D C -0.663 175.398 176.300 -0.398 0.000 0.964 15 D CA 1.678 55.572 54.000 -0.175 0.000 0.846 15 D CB 0.071 40.748 40.800 -0.205 0.000 0.962 15 D HN 0.349 nan 8.370 nan 0.000 0.490 16 Y N -0.222 120.143 120.300 0.108 0.000 2.406 16 Y HA 0.369 4.919 4.550 0.000 0.000 0.340 16 Y C -0.207 175.699 175.900 0.009 0.000 0.975 16 Y CA -1.056 57.076 58.100 0.054 0.000 1.056 16 Y CB 2.050 40.536 38.460 0.043 0.000 1.210 16 Y HN -0.293 nan 8.280 nan 0.000 0.448 17 I N 4.522 125.181 120.570 0.150 0.000 2.378 17 I HA 0.375 4.545 4.170 0.000 0.000 0.291 17 I C -0.728 175.409 176.117 0.034 0.000 0.992 17 I CA -0.904 60.407 61.300 0.018 0.000 1.154 17 I CB 1.505 39.498 38.000 -0.011 0.000 1.315 17 I HN 0.276 nan 8.210 nan 0.000 0.448 18 V N 6.953 126.866 119.914 -0.003 0.000 2.384 18 V HA 0.350 4.470 4.120 0.000 0.000 0.287 18 V C 0.107 176.191 176.094 -0.016 0.000 1.020 18 V CA -0.700 61.598 62.300 -0.003 0.000 0.850 18 V CB 2.243 34.067 31.823 0.001 0.000 0.987 18 V HN 0.434 nan 8.190 nan 0.000 0.436 19 V N 4.046 123.952 119.914 -0.013 0.000 2.383 19 V HA 0.848 4.968 4.120 0.000 0.000 0.275 19 V C 0.624 176.722 176.094 0.008 0.000 1.036 19 V CA 0.214 62.508 62.300 -0.009 0.000 0.889 19 V CB 0.720 32.532 31.823 -0.018 0.000 0.985 19 V HN 1.271 nan 8.190 nan 0.000 0.459 20 G N 3.505 112.324 108.800 0.032 0.000 3.421 20 G HA2 0.117 4.077 3.960 0.000 0.000 0.686 20 G HA3 0.117 4.077 3.960 0.000 0.000 0.686 20 G C 0.119 175.051 174.900 0.053 0.000 1.056 20 G CA -0.512 44.624 45.100 0.059 0.000 0.891 20 G HN 1.366 nan 8.290 nan 0.000 0.514 21 G N 1.136 109.981 108.800 0.075 0.000 4.178 21 G HA2 0.677 4.637 3.960 0.000 0.000 0.287 21 G HA3 0.677 4.637 3.960 0.000 0.000 0.287 21 G C 0.875 175.815 174.900 0.067 0.000 1.293 21 G CA 0.839 45.980 45.100 0.069 0.000 1.393 21 G HN 1.244 nan 8.290 nan 0.000 0.623 22 G N 0.072 108.904 108.800 0.053 0.000 2.773 22 G HA2 0.355 4.315 3.960 0.000 0.000 0.186 22 G HA3 0.355 4.315 3.960 0.000 0.000 0.186 22 G C 1.242 176.164 174.900 0.037 0.000 1.411 22 G CA 0.421 45.553 45.100 0.054 0.000 1.054 22 G HN 0.205 nan 8.290 nan 0.000 0.579 23 S N -0.223 115.501 115.700 0.041 0.000 2.354 23 S HA -0.147 4.323 4.470 0.000 0.000 0.219 23 S C 2.731 177.335 174.600 0.006 0.000 1.035 23 S CA 1.965 60.192 58.200 0.044 0.000 1.037 23 S CB -0.641 62.594 63.200 0.058 0.000 0.956 23 S HN 0.753 nan 8.310 nan 0.000 0.428 24 A N 1.115 123.932 122.820 -0.006 0.000 1.855 24 A HA 0.120 4.440 4.320 0.000 0.000 0.215 24 A C 2.349 179.883 177.584 -0.084 0.000 1.191 24 A CA 1.848 53.861 52.037 -0.040 0.000 0.613 24 A CB -1.657 17.334 19.000 -0.015 0.000 0.829 24 A HN 0.554 nan 8.150 nan 0.000 0.442 25 G N -0.211 108.561 108.800 -0.047 0.000 2.553 25 G HA2 -0.143 3.817 3.960 0.000 0.000 0.218 25 G HA3 -0.143 3.817 3.960 0.000 0.000 0.218 25 G C 1.783 176.638 174.900 -0.074 0.000 1.195 25 G CA 2.057 47.130 45.100 -0.045 0.000 0.779 25 G HN 0.968 nan 8.290 nan 0.000 0.577 26 A N 0.779 123.559 122.820 -0.066 0.000 2.019 26 A HA 0.288 4.609 4.320 0.000 0.000 0.219 26 A C 2.770 180.185 177.584 -0.282 0.000 1.164 26 A CA 2.255 54.251 52.037 -0.069 0.000 0.644 26 A CB -0.622 18.389 19.000 0.018 0.000 0.805 26 A HN 0.861 nan 8.150 nan 0.000 0.449 27 A N -0.219 122.281 122.820 -0.533 0.000 1.841 27 A HA 0.011 4.331 4.320 0.000 0.000 0.214 27 A C 2.186 179.453 177.584 -0.528 0.000 1.195 27 A CA 1.804 53.193 52.037 -1.081 0.000 0.611 27 A CB -1.201 17.221 19.000 -0.962 0.000 0.835 27 A HN 0.548 nan 8.150 nan 0.000 0.443 28 V N 0.293 120.025 119.914 -0.304 0.000 2.278 28 V HA -0.338 3.782 4.120 0.000 0.000 0.251 28 V C 2.971 178.975 176.094 -0.150 0.000 1.062 28 V CA 2.319 64.506 62.300 -0.188 0.000 1.038 28 V CB -1.721 30.026 31.823 -0.127 0.000 0.646 28 V HN 0.626 nan 8.190 nan 0.000 0.447 29 A N 0.169 122.925 122.820 -0.107 0.000 1.858 29 A HA -0.073 4.247 4.320 0.000 0.000 0.216 29 A C 2.491 180.042 177.584 -0.055 0.000 1.190 29 A CA 2.400 54.431 52.037 -0.009 0.000 0.617 29 A CB -1.061 18.007 19.000 0.114 0.000 0.827 29 A HN 0.647 nan 8.150 nan 0.000 0.443 30 A N -0.134 122.600 122.820 -0.143 0.000 1.859 30 A HA -0.256 4.064 4.320 0.000 0.000 0.218 30 A C 2.203 179.736 177.584 -0.085 0.000 1.209 30 A CA 2.032 53.981 52.037 -0.147 0.000 0.639 30 A CB -0.594 18.397 19.000 -0.015 0.000 0.835 30 A HN 0.420 nan 8.150 nan 0.000 0.450 31 R N -0.404 120.043 120.500 -0.088 0.000 2.096 31 R HA -0.021 4.319 4.340 0.000 0.000 0.235 31 R C 2.128 178.392 176.300 -0.060 0.000 1.127 31 R CA 1.151 57.217 56.100 -0.057 0.000 0.968 31 R CB -1.168 29.090 30.300 -0.070 0.000 0.861 31 R HN 0.637 nan 8.270 nan 0.000 0.440 32 L N 0.377 121.549 121.223 -0.085 0.000 2.046 32 L HA -0.113 4.227 4.340 0.000 0.000 0.208 32 L C 2.054 178.929 176.870 0.009 0.000 1.077 32 L CA 1.171 55.962 54.840 -0.082 0.000 0.747 32 L CB -0.415 41.546 42.059 -0.163 0.000 0.896 32 L HN 0.089 nan 8.230 nan 0.000 0.432 33 S N -0.621 115.094 115.700 0.026 0.000 2.584 33 S HA -0.143 4.327 4.470 0.000 0.000 0.240 33 S C 1.630 176.256 174.600 0.043 0.000 0.975 33 S CA 0.729 58.970 58.200 0.069 0.000 0.949 33 S CB -0.233 62.993 63.200 0.043 0.000 0.761 33 S HN 0.418 nan 8.310 nan 0.000 0.536 34 E N 0.855 121.067 120.200 0.020 0.000 2.216 34 E HA -0.059 4.291 4.350 0.000 0.000 0.192 34 E C 0.450 177.070 176.600 0.033 0.000 0.988 34 E CA 0.266 56.677 56.400 0.018 0.000 0.834 34 E CB 0.127 29.831 29.700 0.006 0.000 0.772 34 E HN 0.292 nan 8.360 nan 0.000 0.479 35 D N 0.699 121.126 120.400 0.045 0.000 2.336 35 D HA 0.011 4.651 4.640 0.000 0.000 0.249 35 D C -1.903 174.439 176.300 0.070 0.000 1.213 35 D CA -2.168 51.865 54.000 0.055 0.000 0.870 35 D CB 1.370 42.208 40.800 0.064 0.000 1.076 35 D HN -0.137 nan 8.370 nan 0.000 0.483 36 P HA 0.014 nan 4.420 nan 0.000 0.222 36 P C 1.115 178.456 177.300 0.068 0.000 1.153 36 P CA 0.781 63.920 63.100 0.065 0.000 0.798 36 P CB 0.152 31.882 31.700 0.050 0.000 0.796 37 A N -0.091 122.765 122.820 0.060 0.000 1.884 37 A HA -0.152 4.168 4.320 0.000 0.000 0.219 37 A C 1.329 178.955 177.584 0.070 0.000 1.197 37 A CA 1.519 53.590 52.037 0.056 0.000 0.637 37 A CB -1.573 17.457 19.000 0.050 0.000 0.827 37 A HN 0.118 nan 8.150 nan 0.000 0.450 38 V N 0.946 120.919 119.914 0.098 0.000 2.649 38 V HA 0.387 4.507 4.120 0.000 0.000 0.292 38 V C 0.595 176.784 176.094 0.159 0.000 1.055 38 V CA 0.200 62.578 62.300 0.130 0.000 1.023 38 V CB 1.370 33.317 31.823 0.206 0.000 0.992 38 V HN 0.633 nan 8.190 nan 0.000 0.480 39 S N 4.300 120.095 115.700 0.158 0.000 2.549 39 S HA 0.855 5.325 4.470 0.000 0.000 0.297 39 S C -0.942 173.827 174.600 0.282 0.000 1.115 39 S CA -0.675 57.654 58.200 0.215 0.000 1.059 39 S CB 1.827 65.143 63.200 0.194 0.000 1.046 39 S HN 0.523 nan 8.310 nan 0.000 0.506 40 V N 0.651 120.738 119.914 0.287 0.000 2.668 40 V HA 0.834 4.954 4.120 0.000 0.000 0.304 40 V C -0.200 175.857 176.094 -0.063 0.000 1.071 40 V CA -0.818 61.606 62.300 0.208 0.000 0.894 40 V CB 1.201 33.190 31.823 0.277 0.000 1.008 40 V HN 1.278 nan 8.190 nan 0.000 0.425 41 A N 4.314 126.918 122.820 -0.359 0.000 2.342 41 A HA 0.942 5.262 4.320 0.000 0.000 0.323 41 A C -1.230 176.141 177.584 -0.355 0.000 1.125 41 A CA -0.598 51.009 52.037 -0.718 0.000 0.785 41 A CB 1.566 19.583 19.000 -1.639 0.000 1.221 41 A HN 1.094 nan 8.150 nan 0.000 0.463 42 L N 3.409 124.455 121.223 -0.296 0.000 2.325 42 L HA 0.702 5.042 4.340 0.000 0.000 0.281 42 L C -1.076 175.729 176.870 -0.109 0.000 1.004 42 L CA -0.298 54.483 54.840 -0.097 0.000 0.823 42 L CB 1.770 43.881 42.059 0.087 0.000 1.236 42 L HN 0.399 nan 8.230 nan 0.000 0.415 43 V N 3.939 123.814 119.914 -0.065 0.000 2.357 43 V HA 0.622 4.742 4.120 0.000 0.000 0.284 43 V C -0.372 175.736 176.094 0.024 0.000 1.018 43 V CA -0.582 61.695 62.300 -0.039 0.000 0.841 43 V CB 1.082 32.875 31.823 -0.051 0.000 0.991 43 V HN 0.814 nan 8.190 nan 0.000 0.437 44 E N 3.902 124.132 120.200 0.050 0.000 2.187 44 E HA 0.728 5.078 4.350 0.000 0.000 0.268 44 E C 0.605 177.270 176.600 0.107 0.000 0.896 44 E CA -0.066 56.391 56.400 0.095 0.000 0.766 44 E CB 2.058 31.818 29.700 0.099 0.000 1.142 44 E HN 0.607 nan 8.360 nan 0.000 0.408 45 A N 3.673 126.592 122.820 0.164 0.000 2.014 45 A HA 0.207 4.527 4.320 0.000 0.000 0.218 45 A C 1.224 178.829 177.584 0.036 0.000 1.163 45 A CA 1.108 53.234 52.037 0.149 0.000 0.652 45 A CB -0.703 18.493 19.000 0.327 0.000 0.808 45 A HN 0.590 nan 8.150 nan 0.000 0.449 46 G N -0.457 108.361 108.800 0.030 0.000 2.588 46 G HA2 0.475 4.435 3.960 0.000 0.000 0.281 46 G HA3 0.475 4.435 3.960 0.000 0.000 0.281 46 G C -2.709 172.224 174.900 0.055 0.000 1.236 46 G CA -1.297 43.792 45.100 -0.017 0.000 0.969 46 G HN 0.189 nan 8.290 nan 0.000 0.504 47 P HA 0.158 nan 4.420 nan 0.000 0.278 47 P C -0.384 176.987 177.300 0.117 0.000 1.238 47 P CA -0.452 62.721 63.100 0.123 0.000 0.794 47 P CB 1.131 32.928 31.700 0.163 0.000 0.955 48 D N 1.104 121.569 120.400 0.109 0.000 2.515 48 D HA -0.132 4.508 4.640 0.000 0.000 0.230 48 D C 0.909 177.236 176.300 0.045 0.000 1.181 48 D CA 0.729 54.745 54.000 0.026 0.000 0.875 48 D CB 0.404 41.158 40.800 -0.075 0.000 1.213 48 D HN 0.364 nan 8.370 nan 0.000 0.478 49 D N 1.567 121.995 120.400 0.046 0.000 2.392 49 D HA -0.035 4.605 4.640 0.000 0.000 0.206 49 D C 0.174 176.502 176.300 0.047 0.000 1.046 49 D CA -0.153 53.875 54.000 0.046 0.000 0.865 49 D CB -0.170 40.673 40.800 0.073 0.000 0.969 49 D HN 0.298 nan 8.370 nan 0.000 0.509 50 R N 0.742 121.232 120.500 -0.017 0.000 2.583 50 R HA 0.321 4.661 4.340 0.000 0.000 0.274 50 R C 1.305 177.591 176.300 -0.023 0.000 0.998 50 R CA 0.891 56.937 56.100 -0.090 0.000 1.081 50 R CB -0.149 29.985 30.300 -0.277 0.000 0.940 50 R HN 0.246 nan 8.270 nan 0.000 0.413 51 G N 1.388 110.186 108.800 -0.004 0.000 2.180 51 G HA2 -0.290 3.670 3.960 0.000 0.000 0.263 51 G HA3 -0.290 3.670 3.960 0.000 0.000 0.263 51 G C 0.147 175.060 174.900 0.022 0.000 0.989 51 G CA 0.373 45.480 45.100 0.011 0.000 0.692 51 G HN 0.429 nan 8.290 nan 0.000 0.526 52 V N 1.887 121.810 119.914 0.015 0.000 2.304 52 V HA 0.235 4.355 4.120 0.000 0.000 0.262 52 V C -0.101 175.986 176.094 -0.010 0.000 1.061 52 V CA -0.662 61.638 62.300 0.000 0.000 0.872 52 V CB 1.215 33.005 31.823 -0.055 0.000 1.077 52 V HN 0.169 nan 8.190 nan 0.000 0.480 53 P HA -0.108 nan 4.420 nan 0.000 0.217 53 P C 1.010 178.322 177.300 0.021 0.000 1.151 53 P CA 0.996 64.110 63.100 0.023 0.000 0.828 53 P CB 0.529 32.249 31.700 0.035 0.000 0.788 54 E N -0.551 119.656 120.200 0.012 0.000 2.401 54 E HA -0.060 4.290 4.350 0.000 0.000 0.199 54 E C 1.833 178.426 176.600 -0.013 0.000 1.023 54 E CA 0.594 57.005 56.400 0.019 0.000 0.859 54 E CB -0.735 28.994 29.700 0.048 0.000 0.780 54 E HN 0.176 nan 8.360 nan 0.000 0.523 55 V N -0.426 119.446 119.914 -0.069 0.000 2.911 55 V HA 0.013 4.133 4.120 0.000 0.000 0.237 55 V C 1.846 177.939 176.094 -0.001 0.000 1.156 55 V CA 0.306 62.562 62.300 -0.073 0.000 1.180 55 V CB -0.172 31.523 31.823 -0.213 0.000 0.932 55 V HN 0.172 nan 8.190 nan 0.000 0.483 56 L N 0.008 121.232 121.223 0.002 0.000 2.131 56 L HA -0.118 4.222 4.340 0.000 0.000 0.210 56 L C 1.491 178.385 176.870 0.039 0.000 1.092 56 L CA 1.205 56.059 54.840 0.023 0.000 0.759 56 L CB -0.205 41.876 42.059 0.036 0.000 0.903 56 L HN 0.343 nan 8.230 nan 0.000 0.435 57 Q N 0.799 120.633 119.800 0.055 0.000 2.361 57 Q HA 0.034 4.374 4.340 0.000 0.000 0.250 57 Q C 0.935 177.012 176.000 0.127 0.000 1.023 57 Q CA -0.286 55.565 55.803 0.079 0.000 0.915 57 Q CB 1.156 29.942 28.738 0.080 0.000 1.238 57 Q HN 0.124 nan 8.270 nan 0.000 0.451 58 L N 4.274 125.574 121.223 0.128 0.000 2.089 58 L HA -0.194 4.146 4.340 0.000 0.000 0.213 58 L C 1.163 178.227 176.870 0.324 0.000 1.079 58 L CA 2.205 57.159 54.840 0.191 0.000 0.758 58 L CB -0.205 41.930 42.059 0.126 0.000 0.891 58 L HN 0.776 nan 8.230 nan 0.000 0.433 59 D N -1.218 119.338 120.400 0.261 0.000 2.504 59 D HA -0.043 4.597 4.640 0.000 0.000 0.243 59 D C 1.021 177.552 176.300 0.386 0.000 1.203 59 D CA 0.128 54.346 54.000 0.363 0.000 0.847 59 D CB -0.218 40.708 40.800 0.210 0.000 0.973 59 D HN 0.466 nan 8.370 nan 0.000 0.490 60 R N -0.311 120.359 120.500 0.283 0.000 2.539 60 R HA 0.083 4.423 4.340 0.000 0.000 0.342 60 R C 1.640 177.998 176.300 0.096 0.000 0.941 60 R CA -0.271 55.915 56.100 0.143 0.000 1.146 60 R CB -0.326 30.040 30.300 0.110 0.000 1.541 60 R HN 0.286 nan 8.270 nan 0.000 0.525 61 W N 2.137 123.514 121.300 0.128 0.000 2.290 61 W HA -0.289 4.371 4.660 0.000 0.000 0.318 61 W C 1.183 177.713 176.519 0.019 0.000 1.248 61 W CA 1.180 58.564 57.345 0.064 0.000 1.263 61 W CB -0.974 28.524 29.460 0.063 0.000 1.147 61 W HN -0.047 nan 8.180 nan 0.000 0.494 62 M N 1.177 120.261 119.600 -0.859 0.000 2.267 62 M HA -0.183 4.297 4.480 0.000 0.000 0.263 62 M C 1.779 177.880 176.300 -0.332 0.000 1.063 62 M CA 2.056 56.837 55.300 -0.866 0.000 1.090 62 M CB -0.797 31.190 32.600 -1.023 0.000 1.392 62 M HN 0.120 nan 8.290 nan 0.000 0.422 63 E N 0.692 120.778 120.200 -0.190 0.000 2.418 63 E HA -0.050 4.300 4.350 0.000 0.000 0.197 63 E C 1.798 178.398 176.600 0.000 0.000 1.026 63 E CA 0.588 56.938 56.400 -0.084 0.000 0.862 63 E CB -0.177 29.496 29.700 -0.045 0.000 0.799 63 E HN 0.547 nan 8.360 nan 0.000 0.518 64 L N 0.689 121.934 121.223 0.037 0.000 2.395 64 L HA 0.018 4.358 4.340 0.000 0.000 0.218 64 L C 0.807 177.750 176.870 0.122 0.000 1.130 64 L CA 0.076 54.996 54.840 0.134 0.000 0.826 64 L CB -0.150 42.023 42.059 0.190 0.000 0.941 64 L HN 0.088 nan 8.230 nan 0.000 0.451 65 L N 0.714 121.958 121.223 0.034 0.000 2.455 65 L HA -0.011 4.329 4.340 0.000 0.000 0.272 65 L C 0.706 177.601 176.870 0.041 0.000 1.174 65 L CA 0.094 54.952 54.840 0.030 0.000 0.869 65 L CB 0.158 42.199 42.059 -0.031 0.000 1.130 65 L HN 0.187 nan 8.230 nan 0.000 0.474 66 E N 0.367 120.605 120.200 0.063 0.000 2.494 66 E HA -0.250 4.100 4.350 0.000 0.000 0.249 66 E C 0.223 176.837 176.600 0.023 0.000 1.184 66 E CA 0.779 57.202 56.400 0.039 0.000 0.727 66 E CB -0.830 28.886 29.700 0.026 0.000 1.281 66 E HN 0.756 nan 8.360 nan 0.000 0.405 67 S N -2.086 113.642 115.700 0.047 0.000 2.647 67 S HA 0.575 5.045 4.470 0.000 0.000 0.284 67 S C 1.630 176.201 174.600 -0.048 0.000 1.134 67 S CA -0.351 57.868 58.200 0.032 0.000 1.027 67 S CB 1.240 64.518 63.200 0.130 0.000 1.180 67 S HN 0.207 nan 8.310 nan 0.000 0.521 68 G N -0.824 107.872 108.800 -0.174 0.000 2.471 68 G HA2 -0.019 3.941 3.960 0.000 0.000 0.219 68 G HA3 -0.019 3.941 3.960 0.000 0.000 0.219 68 G C 0.557 175.166 174.900 -0.485 0.000 1.125 68 G CA 0.383 45.245 45.100 -0.397 0.000 0.775 68 G HN 0.735 nan 8.290 nan 0.000 0.548 69 Y N -0.102 120.162 120.300 -0.060 0.000 2.493 69 Y HA 0.296 4.846 4.550 0.000 0.000 0.275 69 Y C 0.263 176.112 175.900 -0.085 0.000 1.183 69 Y CA -0.989 57.058 58.100 -0.089 0.000 1.258 69 Y CB 0.474 38.922 38.460 -0.021 0.000 1.108 69 Y HN -0.003 nan 8.280 nan 0.000 0.521 70 D N -0.618 119.809 120.400 0.045 0.000 2.373 70 D HA 0.047 4.687 4.640 0.000 0.000 0.227 70 D C 0.259 176.547 176.300 -0.020 0.000 1.091 70 D CA -0.724 53.325 54.000 0.081 0.000 0.840 70 D CB 0.467 41.338 40.800 0.118 0.000 1.060 70 D HN 0.164 nan 8.370 nan 0.000 0.502 71 W N 2.443 123.660 121.300 -0.137 0.000 2.325 71 W HA -0.148 4.512 4.660 0.000 0.000 0.299 71 W C 0.819 177.043 176.519 -0.493 0.000 1.215 71 W CA 0.965 58.104 57.345 -0.343 0.000 1.244 71 W CB -0.213 28.937 29.460 -0.517 0.000 1.140 71 W HN 0.495 nan 8.180 nan 0.000 0.523 72 D N -1.829 118.472 120.400 -0.164 0.000 3.585 72 D HA -0.200 4.440 4.640 0.000 0.000 0.251 72 D C -1.601 174.633 176.300 -0.111 0.000 1.065 72 D CA 0.356 54.313 54.000 -0.072 0.000 1.048 72 D CB -1.609 39.186 40.800 -0.009 0.000 0.952 72 D HN 0.119 nan 8.370 nan 0.000 0.421 73 Y N 2.001 122.433 120.300 0.220 0.000 2.434 73 Y HA 0.418 4.968 4.550 0.000 0.000 0.341 73 Y C -1.602 174.406 175.900 0.181 0.000 0.965 73 Y CA -2.200 56.004 58.100 0.173 0.000 1.205 73 Y CB 1.006 39.552 38.460 0.142 0.000 1.121 73 Y HN 0.046 nan 8.280 nan 0.000 0.507 74 P HA 0.224 nan 4.420 nan 0.000 0.277 74 P C -0.087 177.321 177.300 0.180 0.000 1.240 74 P CA -0.276 62.941 63.100 0.195 0.000 0.798 74 P CB 1.649 33.422 31.700 0.123 0.000 0.979 75 I N -1.554 119.113 120.570 0.161 0.000 2.783 75 I HA 0.454 4.624 4.170 0.000 0.000 0.312 75 I C 0.283 176.447 176.117 0.079 0.000 0.988 75 I CA -1.061 60.327 61.300 0.147 0.000 1.182 75 I CB 0.868 39.002 38.000 0.223 0.000 1.368 75 I HN 0.090 nan 8.210 nan 0.000 0.511 76 E N 3.024 123.257 120.200 0.056 0.000 2.408 76 E HA 0.254 4.604 4.350 0.000 0.000 0.259 76 E C -2.256 174.363 176.600 0.033 0.000 1.110 76 E CA -1.603 54.813 56.400 0.027 0.000 0.929 76 E CB -0.122 29.583 29.700 0.009 0.000 0.971 76 E HN 0.464 nan 8.360 nan 0.000 0.438 77 P HA -0.034 nan 4.420 nan 0.000 0.266 77 P C -0.522 176.809 177.300 0.053 0.000 1.193 77 P CA 0.408 63.516 63.100 0.013 0.000 0.770 77 P CB 0.476 32.174 31.700 -0.003 0.000 0.836 78 Q N 1.945 121.797 119.800 0.087 0.000 2.333 78 Q HA 0.117 4.457 4.340 0.000 0.000 0.268 78 Q C 1.011 177.084 176.000 0.121 0.000 1.007 78 Q CA -0.357 55.526 55.803 0.133 0.000 0.810 78 Q CB 1.394 30.275 28.738 0.237 0.000 1.264 78 Q HN 0.500 nan 8.270 nan 0.000 0.452 79 E N 1.302 121.562 120.200 0.100 0.000 2.169 79 E HA -0.252 4.098 4.350 0.000 0.000 0.202 79 E C 0.654 177.325 176.600 0.117 0.000 1.016 79 E CA 1.453 57.907 56.400 0.091 0.000 0.817 79 E CB 0.167 29.912 29.700 0.074 0.000 0.736 79 E HN 0.351 nan 8.360 nan 0.000 0.462 80 N N -0.586 118.216 118.700 0.170 0.000 2.453 80 N HA 0.151 4.891 4.740 0.000 0.000 0.267 80 N C -0.861 174.833 175.510 0.307 0.000 1.482 80 N CA 0.406 53.572 53.050 0.194 0.000 0.841 80 N CB 1.105 39.702 38.487 0.184 0.000 1.408 80 N HN 0.151 nan 8.380 nan 0.000 0.490 81 G N -0.415 108.589 108.800 0.339 0.000 3.021 81 G HA2 0.231 4.191 3.960 0.000 0.000 0.290 81 G HA3 0.231 4.191 3.960 0.000 0.000 0.290 81 G C -1.452 173.672 174.900 0.373 0.000 1.291 81 G CA -0.571 44.856 45.100 0.545 0.000 0.834 81 G HN 0.157 nan 8.290 nan 0.000 0.564 82 N N 0.316 119.198 118.700 0.302 0.000 2.645 82 N HA 0.260 5.000 4.740 0.000 0.000 0.233 82 N C 1.023 176.583 175.510 0.084 0.000 1.058 82 N CA -0.228 52.816 53.050 -0.010 0.000 0.942 82 N CB 1.053 39.203 38.487 -0.563 0.000 1.210 82 N HN 0.155 nan 8.380 nan 0.000 0.512 83 S N 2.080 117.844 115.700 0.107 0.000 2.537 83 S HA -0.025 4.445 4.470 0.000 0.000 0.240 83 S C 0.966 175.488 174.600 -0.131 0.000 0.981 83 S CA 0.585 58.778 58.200 -0.013 0.000 0.948 83 S CB -0.298 62.839 63.200 -0.105 0.000 0.759 83 S HN 0.580 nan 8.310 nan 0.000 0.531 84 F N 0.710 120.668 119.950 0.014 0.000 2.743 84 F HA 0.321 4.848 4.527 0.000 0.000 0.297 84 F C 1.149 176.943 175.800 -0.010 0.000 1.131 84 F CA -0.096 57.903 58.000 -0.002 0.000 1.426 84 F CB -0.112 38.873 39.000 -0.024 0.000 1.116 84 F HN 0.155 nan 8.300 nan 0.000 0.583 85 M N 1.330 121.000 119.600 0.116 0.000 2.250 85 M HA 0.137 4.617 4.480 0.000 0.000 0.325 85 M C -0.200 176.165 176.300 0.109 0.000 1.084 85 M CA 0.687 56.019 55.300 0.054 0.000 1.161 85 M CB 0.487 33.073 32.600 -0.023 0.000 1.481 85 M HN -0.038 nan 8.290 nan 0.000 0.449 86 R N 2.717 123.286 120.500 0.116 0.000 2.480 86 R HA 0.318 4.658 4.340 0.000 0.000 0.306 86 R C -1.009 175.420 176.300 0.216 0.000 0.958 86 R CA -0.821 55.392 56.100 0.190 0.000 0.861 86 R CB 1.076 31.493 30.300 0.196 0.000 1.171 86 R HN 0.690 nan 8.270 nan 0.000 0.445 87 H N 2.085 121.333 119.070 0.296 0.000 3.205 87 H HA 0.111 4.667 4.556 0.000 0.000 0.262 87 H C 0.306 175.884 175.328 0.416 0.000 1.333 87 H CA 0.011 56.283 56.048 0.373 0.000 1.499 87 H CB 0.554 30.509 29.762 0.321 0.000 1.609 87 H HN 0.632 nan 8.280 nan 0.000 0.498 88 A N 5.005 128.138 122.820 0.522 0.000 2.520 88 A HA 0.235 4.556 4.320 0.000 0.000 0.235 88 A C 0.464 178.345 177.584 0.496 0.000 1.065 88 A CA 0.120 52.408 52.037 0.419 0.000 0.764 88 A CB 0.392 19.546 19.000 0.256 0.000 1.002 88 A HN 0.630 nan 8.150 nan 0.000 0.502 89 R N 0.296 121.027 120.500 0.385 0.000 2.535 89 R HA 0.505 4.845 4.340 0.000 0.000 0.274 89 R C -0.698 175.715 176.300 0.189 0.000 1.090 89 R CA -0.222 56.042 56.100 0.274 0.000 0.930 89 R CB 1.663 32.204 30.300 0.402 0.000 1.223 89 R HN 0.962 nan 8.270 nan 0.000 0.441 90 A N 2.653 125.362 122.820 -0.185 0.000 2.409 90 A HA 0.300 4.621 4.320 0.000 0.000 0.262 90 A C -0.058 177.627 177.584 0.168 0.000 1.113 90 A CA -0.049 51.915 52.037 -0.122 0.000 0.790 90 A CB 0.330 19.135 19.000 -0.324 0.000 1.046 90 A HN 0.542 nan 8.150 nan 0.000 0.496 91 K N 2.698 123.086 120.400 -0.020 0.000 2.530 91 K HA 0.567 4.887 4.320 0.000 0.000 0.230 91 K C -1.396 175.197 176.600 -0.012 0.000 1.002 91 K CA -0.204 55.927 56.287 -0.259 0.000 1.014 91 K CB 0.779 32.707 32.500 -0.953 0.000 1.286 91 K HN 0.690 nan 8.250 nan 0.000 0.480 92 V N 2.992 122.948 119.914 0.071 0.000 3.097 92 V HA 0.106 4.226 4.120 0.000 0.000 0.263 92 V C -1.549 174.596 176.094 0.084 0.000 1.857 92 V CA -1.037 61.321 62.300 0.097 0.000 0.960 92 V CB 2.005 33.865 31.823 0.061 0.000 1.360 92 V HN 0.642 nan 8.190 nan 0.000 0.456 93 M N 2.575 122.220 119.600 0.075 0.000 2.239 93 M HA 0.404 4.884 4.480 0.000 0.000 0.348 93 M C 1.412 177.749 176.300 0.062 0.000 1.239 93 M CA 1.665 57.013 55.300 0.079 0.000 1.114 93 M CB -0.102 32.551 32.600 0.088 0.000 1.641 93 M HN 1.536 nan 8.290 nan 0.000 0.453 94 G N 2.036 110.876 108.800 0.065 0.000 2.254 94 G HA2 -0.128 3.832 3.960 0.000 0.000 0.225 94 G HA3 -0.128 3.832 3.960 0.000 0.000 0.225 94 G C 0.694 175.628 174.900 0.057 0.000 1.003 94 G CA 0.218 45.349 45.100 0.051 0.000 0.622 94 G HN 1.444 nan 8.290 nan 0.000 0.507 95 G N -0.806 108.034 108.800 0.066 0.000 2.564 95 G HA2 -0.234 3.726 3.960 0.000 0.000 0.273 95 G HA3 -0.234 3.726 3.960 0.000 0.000 0.273 95 G C 1.327 176.233 174.900 0.011 0.000 1.242 95 G CA 1.281 46.420 45.100 0.066 0.000 0.951 95 G HN 1.430 nan 8.290 nan 0.000 0.564 96 C N 1.254 120.544 119.300 -0.017 0.000 2.409 96 C HA 0.072 4.532 4.460 0.000 0.000 0.284 96 C C 3.346 178.411 174.990 0.124 0.000 1.354 96 C CA 2.327 61.322 59.018 -0.037 0.000 1.787 96 C CB -1.668 26.089 27.740 0.027 0.000 1.900 96 C HN 1.257 nan 8.230 nan 0.000 0.520 97 S N 0.240 115.990 115.700 0.083 0.000 2.474 97 S HA -0.096 4.374 4.470 0.000 0.000 0.235 97 S C 1.573 176.214 174.600 0.068 0.000 0.997 97 S CA 1.713 59.956 58.200 0.072 0.000 0.949 97 S CB -0.355 62.880 63.200 0.058 0.000 0.766 97 S HN 0.587 nan 8.310 nan 0.000 0.517 98 S N 0.628 116.373 115.700 0.075 0.000 2.528 98 S HA 0.094 4.564 4.470 0.000 0.000 0.219 98 S C 1.351 176.040 174.600 0.150 0.000 0.985 98 S CA 0.535 58.777 58.200 0.069 0.000 0.914 98 S CB -0.277 62.940 63.200 0.029 0.000 0.776 98 S HN 1.026 nan 8.310 nan 0.000 0.526 99 H N 0.731 119.832 119.070 0.052 0.000 2.827 99 H HA 0.312 4.868 4.556 0.000 0.000 0.269 99 H C 0.537 175.911 175.328 0.077 0.000 1.031 99 H CA -0.416 55.689 56.048 0.095 0.000 1.202 99 H CB 0.079 29.907 29.762 0.112 0.000 1.511 99 H HN 0.308 nan 8.280 nan 0.000 0.517 100 N N 1.077 119.876 118.700 0.164 0.000 2.317 100 N HA 0.042 4.782 4.740 0.000 0.000 0.245 100 N C 0.952 176.154 175.510 -0.513 0.000 1.294 100 N CA 0.310 53.255 53.050 -0.175 0.000 0.924 100 N CB 0.673 39.136 38.487 -0.039 0.000 1.186 100 N HN 0.267 nan 8.380 nan 0.000 0.495 101 A N -0.917 121.353 122.820 -0.917 0.000 2.238 101 A HA 0.175 4.495 4.320 0.000 0.000 0.208 101 A C 0.942 178.295 177.584 -0.385 0.000 1.177 101 A CA 0.024 51.450 52.037 -1.019 0.000 0.804 101 A CB -1.242 17.079 19.000 -1.131 0.000 0.823 101 A HN 0.846 nan 8.150 nan 0.000 0.482 102 C N -1.545 117.601 119.300 -0.258 0.000 4.252 102 C HA -0.187 4.273 4.460 0.000 0.000 0.285 102 C C 0.808 175.704 174.990 -0.157 0.000 1.466 102 C CA 0.208 59.142 59.018 -0.140 0.000 1.946 102 C CB -2.979 24.716 27.740 -0.075 0.000 1.366 102 C HN 0.627 nan 8.230 nan 0.000 0.783 103 I N 1.272 121.697 120.570 -0.241 0.000 2.742 103 I HA 0.244 4.414 4.170 0.000 0.000 0.287 103 I C 0.761 176.669 176.117 -0.348 0.000 1.186 103 I CA 1.089 62.136 61.300 -0.422 0.000 1.417 103 I CB 0.300 37.900 38.000 -0.668 0.000 1.377 103 I HN 0.488 nan 8.210 nan 0.000 0.556 104 A N 8.082 130.663 122.820 -0.398 0.000 2.330 104 A HA 0.809 5.129 4.320 0.000 0.000 0.313 104 A C -0.991 176.403 177.584 -0.316 0.000 1.124 104 A CA -0.315 51.582 52.037 -0.233 0.000 0.774 104 A CB 0.618 19.551 19.000 -0.112 0.000 1.198 104 A HN 0.590 nan 8.150 nan 0.000 0.465 105 F N 0.767 120.707 119.950 -0.016 0.000 2.578 105 F HA 0.549 5.076 4.527 0.000 0.000 0.311 105 F C -0.808 175.006 175.800 0.023 0.000 1.094 105 F CA -0.591 57.420 58.000 0.018 0.000 0.923 105 F CB 1.798 40.767 39.000 -0.050 0.000 1.230 105 F HN 0.636 nan 8.300 nan 0.000 0.450 106 W N 2.430 123.662 121.300 -0.114 0.000 2.261 106 W HA 0.622 5.282 4.660 0.000 0.000 0.323 106 W C 0.051 176.470 176.519 -0.167 0.000 1.243 106 W CA -0.934 56.072 57.345 -0.566 0.000 1.210 106 W CB 0.454 29.489 29.460 -0.708 0.000 1.149 106 W HN 0.505 nan 8.180 nan 0.000 0.562 107 A N 4.933 127.844 122.820 0.151 0.000 2.371 107 A HA 0.506 4.826 4.320 0.000 0.000 0.257 107 A C -2.234 175.510 177.584 0.266 0.000 1.089 107 A CA -1.295 50.854 52.037 0.187 0.000 0.794 107 A CB -0.397 18.717 19.000 0.190 0.000 1.029 107 A HN 0.394 nan 8.150 nan 0.000 0.488 108 P HA 0.021 nan 4.420 nan 0.000 0.265 108 P C 0.793 178.208 177.300 0.192 0.000 1.193 108 P CA 0.019 63.214 63.100 0.158 0.000 0.765 108 P CB 0.535 32.258 31.700 0.038 0.000 0.823 109 R N 2.795 123.415 120.500 0.201 0.000 2.159 109 R HA -0.192 4.148 4.340 0.000 0.000 0.237 109 R C 0.807 177.083 176.300 -0.041 0.000 1.131 109 R CA 1.654 57.756 56.100 0.003 0.000 0.982 109 R CB -0.604 29.547 30.300 -0.249 0.000 0.868 109 R HN 0.311 nan 8.270 nan 0.000 0.453 110 E N 1.113 121.307 120.200 -0.011 0.000 2.204 110 E HA -0.115 4.235 4.350 0.000 0.000 0.194 110 E C 1.400 178.002 176.600 0.002 0.000 0.989 110 E CA 1.259 57.647 56.400 -0.020 0.000 0.824 110 E CB -0.103 29.585 29.700 -0.020 0.000 0.756 110 E HN 0.391 nan 8.360 nan 0.000 0.477 111 D N 0.078 120.493 120.400 0.025 0.000 2.097 111 D HA -0.079 4.561 4.640 0.000 0.000 0.197 111 D C 1.937 178.133 176.300 -0.173 0.000 0.984 111 D CA 0.865 54.890 54.000 0.043 0.000 0.826 111 D CB -0.004 40.855 40.800 0.098 0.000 0.973 111 D HN 0.188 nan 8.370 nan 0.000 0.460 112 L N 0.883 121.953 121.223 -0.254 0.000 2.109 112 L HA -0.111 4.229 4.340 0.000 0.000 0.207 112 L C 1.994 178.751 176.870 -0.187 0.000 1.086 112 L CA 0.727 55.289 54.840 -0.463 0.000 0.760 112 L CB -0.301 41.606 42.059 -0.252 0.000 0.910 112 L HN -0.131 nan 8.230 nan 0.000 0.437 113 D N 0.469 120.820 120.400 -0.081 0.000 2.158 113 D HA -0.203 4.437 4.640 0.000 0.000 0.197 113 D C 2.044 178.381 176.300 0.062 0.000 0.995 113 D CA 1.210 55.201 54.000 -0.015 0.000 0.846 113 D CB -0.063 40.708 40.800 -0.048 0.000 0.941 113 D HN 0.421 nan 8.370 nan 0.000 0.456 114 E N -0.398 119.855 120.200 0.088 0.000 2.150 114 E HA -0.152 4.198 4.350 0.000 0.000 0.193 114 E C 2.027 178.846 176.600 0.365 0.000 0.985 114 E CA 0.349 56.839 56.400 0.150 0.000 0.814 114 E CB -0.080 29.726 29.700 0.176 0.000 0.752 114 E HN 0.381 nan 8.360 nan 0.000 0.466 115 W N 1.607 123.036 121.300 0.215 0.000 2.318 115 W HA -0.191 4.469 4.660 0.000 0.000 0.313 115 W C 2.227 178.852 176.519 0.177 0.000 1.221 115 W CA 1.080 58.575 57.345 0.250 0.000 1.266 115 W CB -0.852 28.703 29.460 0.157 0.000 1.150 115 W HN 0.213 nan 8.180 nan 0.000 0.496 116 E N -0.485 119.942 120.200 0.378 0.000 2.060 116 E HA -0.052 4.298 4.350 0.000 0.000 0.189 116 E C 2.219 178.894 176.600 0.125 0.000 0.974 116 E CA 1.282 57.827 56.400 0.242 0.000 0.808 116 E CB -0.226 29.598 29.700 0.208 0.000 0.768 116 E HN 0.028 nan 8.360 nan 0.000 0.453 117 A N 0.904 123.770 122.820 0.076 0.000 2.016 117 A HA -0.059 4.261 4.320 0.000 0.000 0.217 117 A C 2.046 179.588 177.584 -0.071 0.000 1.162 117 A CA 1.246 53.284 52.037 0.002 0.000 0.662 117 A CB -0.129 18.864 19.000 -0.012 0.000 0.812 117 A HN 0.165 nan 8.150 nan 0.000 0.450 118 K N -2.324 117.980 120.400 -0.159 0.000 2.350 118 K HA 0.142 4.462 4.320 0.000 0.000 0.196 118 K C 0.213 176.525 176.600 -0.479 0.000 1.084 118 K CA 0.230 56.275 56.287 -0.404 0.000 0.967 118 K CB 0.246 32.346 32.500 -0.668 0.000 0.950 118 K HN 0.498 nan 8.250 nan 0.000 0.512 119 Y N -0.104 120.219 120.300 0.038 0.000 2.681 119 Y HA 0.264 4.814 4.550 0.000 0.000 0.267 119 Y C 0.887 176.769 175.900 -0.031 0.000 1.166 119 Y CA -0.053 58.033 58.100 -0.023 0.000 1.209 119 Y CB 1.405 39.819 38.460 -0.076 0.000 1.161 119 Y HN 0.286 nan 8.280 nan 0.000 0.534 120 G N 0.926 109.783 108.800 0.095 0.000 2.166 120 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 120 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 120 G C 0.430 175.389 174.900 0.097 0.000 0.986 120 G CA 0.275 45.418 45.100 0.072 0.000 0.683 120 G HN 0.572 nan 8.290 nan 0.000 0.527 121 A N 1.078 123.987 122.820 0.147 0.000 3.126 121 A HA 0.622 4.942 4.320 0.000 0.000 0.268 121 A C 1.045 178.833 177.584 0.340 0.000 1.605 121 A CA 0.774 52.927 52.037 0.195 0.000 1.305 121 A CB -0.314 18.744 19.000 0.096 0.000 1.160 121 A HN 0.886 nan 8.150 nan 0.000 0.609 122 T N 0.771 115.464 114.554 0.232 0.000 2.777 122 T HA 0.276 4.626 4.350 0.000 0.000 0.273 122 T C 1.584 176.426 174.700 0.236 0.000 1.016 122 T CA 1.690 63.902 62.100 0.187 0.000 1.156 122 T CB 0.129 69.068 68.868 0.118 0.000 1.019 122 T HN 1.778 nan 8.240 nan 0.000 0.503 123 G N 2.512 111.398 108.800 0.144 0.000 2.194 123 G HA2 -0.213 3.747 3.960 0.000 0.000 0.236 123 G HA3 -0.213 3.747 3.960 0.000 0.000 0.236 123 G C -0.167 174.688 174.900 -0.074 0.000 0.987 123 G CA -0.514 44.584 45.100 -0.003 0.000 0.635 123 G HN 0.707 nan 8.290 nan 0.000 0.520 124 W N 2.562 123.922 121.300 0.100 0.000 2.283 124 W HA 0.649 5.309 4.660 0.000 0.000 0.317 124 W C 0.423 176.996 176.519 0.090 0.000 1.042 124 W CA -0.055 57.373 57.345 0.139 0.000 1.348 124 W CB 0.633 30.278 29.460 0.309 0.000 1.216 124 W HN 0.577 nan 8.180 nan 0.000 0.404 125 N N 0.524 119.320 118.700 0.159 0.000 3.522 125 N HA 0.594 5.334 4.740 0.000 0.000 0.328 125 N C 0.321 175.825 175.510 -0.010 0.000 1.623 125 N CA -0.326 52.756 53.050 0.052 0.000 0.812 125 N CB 0.135 38.633 38.487 0.019 0.000 2.008 125 N HN 0.072 nan 8.380 nan 0.000 0.601 126 A N -0.612 122.148 122.820 -0.101 0.000 2.016 126 A HA 0.031 4.351 4.320 0.000 0.000 0.217 126 A C 1.552 179.065 177.584 -0.118 0.000 1.162 126 A CA 0.914 52.836 52.037 -0.192 0.000 0.662 126 A CB -0.817 17.817 19.000 -0.611 0.000 0.812 126 A HN 0.688 nan 8.150 nan 0.000 0.450 127 E N 0.077 120.211 120.200 -0.110 0.000 2.077 127 E HA -0.168 4.182 4.350 0.000 0.000 0.193 127 E C 2.311 178.911 176.600 0.000 0.000 0.989 127 E CA 1.066 57.435 56.400 -0.052 0.000 0.800 127 E CB -0.245 29.419 29.700 -0.059 0.000 0.746 127 E HN 0.623 nan 8.360 nan 0.000 0.452 128 A N 1.438 124.237 122.820 -0.035 0.000 1.873 128 A HA -0.040 4.280 4.320 0.000 0.000 0.215 128 A C 2.365 179.909 177.584 -0.067 0.000 1.186 128 A CA 1.647 53.632 52.037 -0.086 0.000 0.616 128 A CB -0.538 18.352 19.000 -0.182 0.000 0.823 128 A HN 0.283 nan 8.150 nan 0.000 0.442 129 A N -1.641 121.172 122.820 -0.013 0.000 1.897 129 A HA -0.098 4.222 4.320 0.000 0.000 0.215 129 A C 2.122 179.662 177.584 -0.072 0.000 1.181 129 A CA 0.960 52.914 52.037 -0.138 0.000 0.620 129 A CB -0.958 17.953 19.000 -0.147 0.000 0.821 129 A HN 0.756 nan 8.150 nan 0.000 0.443 130 W N 0.398 121.650 121.300 -0.080 0.000 2.290 130 W HA -0.200 4.460 4.660 0.000 0.000 0.323 130 W C -0.787 175.757 176.519 0.042 0.000 1.260 130 W CA 2.209 59.619 57.345 0.108 0.000 1.266 130 W CB -1.315 28.280 29.460 0.224 0.000 1.149 130 W HN 0.319 nan 8.180 nan 0.000 0.482 131 P HA -0.140 nan 4.420 nan 0.000 0.219 131 P C 1.653 178.944 177.300 -0.014 0.000 1.150 131 P CA 1.545 64.698 63.100 0.088 0.000 0.814 131 P CB -0.357 31.381 31.700 0.063 0.000 0.787 132 L N -2.439 118.719 121.223 -0.107 0.000 2.056 132 L HA -0.155 4.185 4.340 0.000 0.000 0.207 132 L C 2.446 179.186 176.870 -0.217 0.000 1.078 132 L CA 1.552 56.288 54.840 -0.174 0.000 0.749 132 L CB -1.134 40.771 42.059 -0.256 0.000 0.901 132 L HN -0.006 nan 8.230 nan 0.000 0.433 133 Y N 0.147 120.204 120.300 -0.404 0.000 2.352 133 Y HA -0.211 4.339 4.550 0.000 0.000 0.292 133 Y C 2.756 178.384 175.900 -0.453 0.000 1.136 133 Y CA 0.677 58.308 58.100 -0.782 0.000 1.227 133 Y CB 0.005 37.247 38.460 -2.030 0.000 0.991 133 Y HN 0.114 nan 8.280 nan 0.000 0.545 134 K N 0.566 120.939 120.400 -0.045 0.000 1.984 134 K HA -0.209 4.111 4.320 0.000 0.000 0.209 134 K C 2.259 178.900 176.600 0.067 0.000 1.046 134 K CA 1.161 57.519 56.287 0.118 0.000 0.934 134 K CB -0.191 32.391 32.500 0.137 0.000 0.717 134 K HN 0.138 nan 8.250 nan 0.000 0.438 135 R N 1.210 121.729 120.500 0.031 0.000 2.117 135 R HA -0.178 4.162 4.340 0.000 0.000 0.243 135 R C 2.280 178.601 176.300 0.034 0.000 1.143 135 R CA 1.838 57.956 56.100 0.029 0.000 0.968 135 R CB -0.317 29.994 30.300 0.018 0.000 0.863 135 R HN 0.236 nan 8.270 nan 0.000 0.444 136 L N -0.351 120.896 121.223 0.039 0.000 2.418 136 L HA 0.141 4.481 4.340 0.000 0.000 0.218 136 L C 0.257 177.133 176.870 0.010 0.000 1.125 136 L CA 0.577 55.447 54.840 0.051 0.000 0.835 136 L CB -0.298 41.834 42.059 0.121 0.000 0.953 136 L HN 0.112 nan 8.230 nan 0.000 0.454 137 E N -0.594 119.627 120.200 0.034 0.000 2.202 137 E HA 0.472 4.822 4.350 0.000 0.000 0.272 137 E C -0.915 175.672 176.600 -0.021 0.000 0.951 137 E CA -0.831 55.587 56.400 0.031 0.000 0.813 137 E CB 1.194 30.940 29.700 0.077 0.000 1.151 137 E HN 0.002 nan 8.360 nan 0.000 0.398 138 T N 2.735 117.228 114.554 -0.102 0.000 2.853 138 T HA 0.220 4.570 4.350 0.000 0.000 0.317 138 T C -0.648 173.918 174.700 -0.222 0.000 1.059 138 T CA -0.719 61.228 62.100 -0.254 0.000 0.954 138 T CB 0.072 68.548 68.868 -0.652 0.000 0.994 138 T HN 0.388 nan 8.240 nan 0.000 0.479 139 N N 2.352 120.940 118.700 -0.187 0.000 2.438 139 N HA 0.118 4.858 4.740 0.000 0.000 0.282 139 N C 1.100 176.454 175.510 -0.261 0.000 1.037 139 N CA -0.317 52.572 53.050 -0.268 0.000 0.942 139 N CB 1.617 39.791 38.487 -0.523 0.000 1.136 139 N HN 0.652 nan 8.380 nan 0.000 0.481 140 E N 2.027 122.095 120.200 -0.220 0.000 2.130 140 E HA -0.204 4.146 4.350 0.000 0.000 0.196 140 E C -0.083 176.426 176.600 -0.152 0.000 0.998 140 E CA 1.359 57.663 56.400 -0.160 0.000 0.806 140 E CB 0.283 29.912 29.700 -0.118 0.000 0.738 140 E HN 0.547 nan 8.360 nan 0.000 0.459 141 D N 0.234 120.510 120.400 -0.206 0.000 2.363 141 D HA 0.047 4.687 4.640 0.000 0.000 0.226 141 D C 0.116 176.377 176.300 -0.065 0.000 1.020 141 D CA 0.473 54.402 54.000 -0.118 0.000 0.892 141 D CB -0.127 40.627 40.800 -0.077 0.000 0.900 141 D HN 0.192 nan 8.370 nan 0.000 0.531 142 A N 0.365 123.119 122.820 -0.111 0.000 2.561 142 A HA 0.459 4.779 4.320 0.000 0.000 0.234 142 A C 0.985 178.555 177.584 -0.024 0.000 1.055 142 A CA 0.967 52.982 52.037 -0.037 0.000 0.756 142 A CB 0.197 19.168 19.000 -0.049 0.000 0.986 142 A HN 0.279 nan 8.150 nan 0.000 0.505 143 G N 0.953 109.749 108.800 -0.006 0.000 2.316 143 G HA2 0.423 4.383 3.960 0.000 0.000 0.296 143 G HA3 0.423 4.383 3.960 0.000 0.000 0.296 143 G C -2.747 172.159 174.900 0.010 0.000 1.399 143 G CA -0.012 45.087 45.100 -0.002 0.000 0.833 143 G HN 0.286 nan 8.290 nan 0.000 0.565 144 P HA 0.081 nan 4.420 nan 0.000 0.222 144 P C 1.152 178.467 177.300 0.025 0.000 1.153 144 P CA 1.520 64.631 63.100 0.018 0.000 0.798 144 P CB 0.176 31.883 31.700 0.012 0.000 0.796 145 D N -0.678 119.736 120.400 0.023 0.000 2.355 145 D HA 0.058 4.699 4.640 0.000 0.000 0.218 145 D C 0.563 176.892 176.300 0.049 0.000 1.004 145 D CA 0.228 54.245 54.000 0.029 0.000 0.880 145 D CB -0.304 40.508 40.800 0.019 0.000 0.911 145 D HN 0.050 nan 8.370 nan 0.000 0.528 146 A N 1.341 124.192 122.820 0.052 0.000 3.370 146 A HA 0.385 4.705 4.320 0.000 0.000 0.295 146 A C -2.166 175.420 177.584 0.004 0.000 1.030 146 A CA -0.884 51.199 52.037 0.076 0.000 0.883 146 A CB 1.024 20.073 19.000 0.081 0.000 1.191 146 A HN -0.059 nan 8.150 nan 0.000 0.507 147 P HA -0.090 nan 4.420 nan 0.000 0.245 147 P C 0.765 178.105 177.300 0.067 0.000 1.212 147 P CA 0.765 63.897 63.100 0.053 0.000 0.774 147 P CB -0.327 31.419 31.700 0.077 0.000 0.999 148 H N -3.069 115.994 119.070 -0.013 0.000 2.551 148 H HA 0.086 4.642 4.556 0.000 0.000 0.266 148 H C 0.176 175.540 175.328 0.060 0.000 0.964 148 H CA 0.074 56.134 56.048 0.020 0.000 1.180 148 H CB -0.835 28.888 29.762 -0.064 0.000 1.408 148 H HN 0.140 nan 8.280 nan 0.000 0.563 149 H N 1.192 119.980 119.070 -0.471 0.000 2.511 149 H HA 0.366 4.922 4.556 0.000 0.000 0.346 149 H C 0.498 175.809 175.328 -0.027 0.000 1.128 149 H CA 0.178 56.076 56.048 -0.250 0.000 1.342 149 H CB 1.359 30.888 29.762 -0.388 0.000 1.470 149 H HN 0.442 nan 8.280 nan 0.000 0.546 150 G N 0.556 109.488 108.800 0.220 0.000 2.415 150 G HA2 0.151 4.111 3.960 0.000 0.000 0.269 150 G HA3 0.151 4.111 3.960 0.000 0.000 0.269 150 G C 0.217 175.128 174.900 0.018 0.000 1.209 150 G CA -0.508 44.652 45.100 0.100 0.000 0.835 150 G HN 0.706 nan 8.290 nan 0.000 0.534 151 D N -0.924 119.470 120.400 -0.011 0.000 2.469 151 D HA 0.081 4.721 4.640 0.000 0.000 0.213 151 D C 1.278 177.529 176.300 -0.081 0.000 1.135 151 D CA 0.118 54.083 54.000 -0.059 0.000 0.834 151 D CB 0.873 41.648 40.800 -0.041 0.000 1.009 151 D HN 0.258 nan 8.370 nan 0.000 0.507 152 S N -0.805 114.864 115.700 -0.050 0.000 2.733 152 S HA 0.405 4.875 4.470 0.000 0.000 0.247 152 S C 0.827 175.414 174.600 -0.022 0.000 1.043 152 S CA -0.131 58.045 58.200 -0.040 0.000 1.066 152 S CB 0.234 63.426 63.200 -0.014 0.000 1.045 152 S HN 0.403 nan 8.310 nan 0.000 0.586 153 G N 2.136 110.921 108.800 -0.024 0.000 2.572 153 G HA2 0.372 4.332 3.960 0.000 0.000 0.261 153 G HA3 0.372 4.332 3.960 0.000 0.000 0.261 153 G C -1.605 173.320 174.900 0.042 0.000 1.197 153 G CA -1.025 44.074 45.100 -0.002 0.000 0.870 153 G HN 0.122 nan 8.290 nan 0.000 0.548 154 P HA -0.055 nan 4.420 nan 0.000 0.217 154 P C 0.662 177.859 177.300 -0.171 0.000 1.151 154 P CA 0.499 63.485 63.100 -0.190 0.000 0.828 154 P CB 0.080 31.472 31.700 -0.512 0.000 0.788 155 V N 2.373 122.207 119.914 -0.135 0.000 2.389 155 V HA 0.075 4.195 4.120 0.000 0.000 0.264 155 V C 0.553 176.740 176.094 0.155 0.000 1.049 155 V CA -0.327 61.941 62.300 -0.053 0.000 0.932 155 V CB -0.822 30.965 31.823 -0.061 0.000 1.011 155 V HN 0.188 nan 8.190 nan 0.000 0.475 156 H N 5.861 124.872 119.070 -0.099 0.000 2.652 156 H HA 0.469 5.025 4.556 0.000 0.000 0.298 156 H C -0.588 174.701 175.328 -0.066 0.000 1.076 156 H CA -0.757 55.244 56.048 -0.078 0.000 1.360 156 H CB 1.045 30.762 29.762 -0.075 0.000 1.421 156 H HN 0.461 nan 8.280 nan 0.000 0.464 157 L N 5.472 126.700 121.223 0.009 0.000 2.313 157 L HA 0.474 4.814 4.340 0.000 0.000 0.283 157 L C -0.007 176.829 176.870 -0.057 0.000 1.013 157 L CA -0.715 54.110 54.840 -0.026 0.000 0.816 157 L CB 1.408 43.443 42.059 -0.041 0.000 1.236 157 L HN 0.574 nan 8.230 nan 0.000 0.419 158 M N 1.154 120.733 119.600 -0.035 0.000 2.591 158 M HA 0.565 5.045 4.480 0.000 0.000 0.306 158 M C -1.024 175.262 176.300 -0.022 0.000 1.190 158 M CA -0.768 54.508 55.300 -0.040 0.000 0.889 158 M CB 2.014 34.598 32.600 -0.026 0.000 1.728 158 M HN 0.291 nan 8.290 nan 0.000 0.458 159 N N 1.692 120.374 118.700 -0.029 0.000 2.470 159 N HA 0.243 4.983 4.740 0.000 0.000 0.268 159 N C -0.759 174.737 175.510 -0.024 0.000 1.136 159 N CA -0.298 52.748 53.050 -0.005 0.000 0.961 159 N CB 1.476 39.949 38.487 -0.023 0.000 1.067 159 N HN 0.552 nan 8.380 nan 0.000 0.468 160 V N 5.276 125.198 119.914 0.013 0.000 2.458 160 V HA 0.041 4.161 4.120 0.000 0.000 0.287 160 V C -1.520 174.448 176.094 -0.211 0.000 1.009 160 V CA -0.878 61.398 62.300 -0.040 0.000 1.091 160 V CB -0.062 31.814 31.823 0.089 0.000 0.960 160 V HN 0.559 nan 8.190 nan 0.000 0.476 161 P HA 0.219 nan 4.420 nan 0.000 0.271 161 P C -2.589 174.338 177.300 -0.623 0.000 1.218 161 P CA -1.781 61.122 63.100 -0.328 0.000 0.780 161 P CB 0.246 31.819 31.700 -0.213 0.000 0.901 162 P HA 0.100 nan 4.420 nan 0.000 0.220 162 P C 0.949 177.952 177.300 -0.496 0.000 1.778 162 P CA 0.035 62.496 63.100 -1.065 0.000 0.912 162 P CB -0.360 31.036 31.700 -0.506 0.000 1.861 163 K N -0.332 119.834 120.400 -0.390 0.000 2.062 163 K HA -0.084 4.236 4.320 0.000 0.000 0.205 163 K C 0.595 177.149 176.600 -0.076 0.000 1.051 163 K CA 0.613 56.796 56.287 -0.173 0.000 0.941 163 K CB -0.417 31.997 32.500 -0.143 0.000 0.719 163 K HN -0.028 nan 8.250 nan 0.000 0.440 164 D N 3.105 123.480 120.400 -0.041 0.000 2.349 164 D HA 0.038 4.678 4.640 0.000 0.000 0.266 164 D C -1.425 174.874 176.300 -0.002 0.000 1.293 164 D CA -2.271 51.741 54.000 0.020 0.000 0.926 164 D CB 1.334 42.191 40.800 0.095 0.000 1.090 164 D HN 0.080 nan 8.370 nan 0.000 0.502 165 P HA -0.197 nan 4.420 nan 0.000 0.216 165 P C 1.075 178.184 177.300 -0.318 0.000 1.153 165 P CA 1.360 64.449 63.100 -0.017 0.000 0.858 165 P CB 0.035 31.868 31.700 0.222 0.000 0.789 166 T N -0.887 113.187 114.554 -0.799 0.000 2.867 166 T HA -0.039 4.311 4.350 0.000 0.000 0.268 166 T C 2.192 176.352 174.700 -0.900 0.000 1.057 166 T CA 1.572 62.830 62.100 -1.403 0.000 1.136 166 T CB -1.119 66.853 68.868 -1.495 0.000 0.874 166 T HN 0.228 nan 8.240 nan 0.000 0.466 167 G N 1.172 109.650 108.800 -0.537 0.000 2.394 167 G HA2 -0.116 3.844 3.960 0.000 0.000 0.215 167 G HA3 -0.116 3.844 3.960 0.000 0.000 0.215 167 G C 1.668 176.298 174.900 -0.450 0.000 1.165 167 G CA 0.628 45.391 45.100 -0.563 0.000 0.784 167 G HN 0.437 nan 8.290 nan 0.000 0.535 168 V N 1.655 121.484 119.914 -0.143 0.000 2.295 168 V HA -0.126 3.994 4.120 0.000 0.000 0.246 168 V C 3.328 179.316 176.094 -0.177 0.000 1.049 168 V CA 2.010 64.275 62.300 -0.059 0.000 1.024 168 V CB -0.912 30.934 31.823 0.038 0.000 0.648 168 V HN 0.451 nan 8.190 nan 0.000 0.447 169 A N -0.312 122.375 122.820 -0.222 0.000 1.933 169 A HA -0.196 4.124 4.320 0.000 0.000 0.218 169 A C 2.184 179.600 177.584 -0.281 0.000 1.175 169 A CA 2.046 53.972 52.037 -0.185 0.000 0.628 169 A CB -0.550 18.394 19.000 -0.093 0.000 0.814 169 A HN 0.467 nan 8.150 nan 0.000 0.444 170 L N -0.826 120.109 121.223 -0.479 0.000 2.017 170 L HA -0.138 4.203 4.340 0.000 0.000 0.208 170 L C 2.132 178.782 176.870 -0.367 0.000 1.073 170 L CA 1.508 56.042 54.840 -0.509 0.000 0.745 170 L CB -0.375 41.191 42.059 -0.822 0.000 0.894 170 L HN 0.256 nan 8.230 nan 0.000 0.432 171 L N -0.272 120.726 121.223 -0.376 0.000 2.127 171 L HA -0.240 4.100 4.340 0.000 0.000 0.211 171 L C 2.173 178.936 176.870 -0.178 0.000 1.089 171 L CA 1.534 56.209 54.840 -0.276 0.000 0.757 171 L CB -1.504 40.383 42.059 -0.287 0.000 0.899 171 L HN 0.360 nan 8.230 nan 0.000 0.434 172 D N -0.728 119.578 120.400 -0.155 0.000 2.178 172 D HA -0.090 4.550 4.640 0.000 0.000 0.202 172 D C 2.192 178.438 176.300 -0.089 0.000 0.974 172 D CA 1.308 55.249 54.000 -0.099 0.000 0.841 172 D CB 0.096 40.853 40.800 -0.071 0.000 0.953 172 D HN 0.318 nan 8.370 nan 0.000 0.478 173 A N -0.014 122.738 122.820 -0.114 0.000 1.970 173 A HA -0.098 4.223 4.320 0.000 0.000 0.216 173 A C 2.414 179.947 177.584 -0.084 0.000 1.170 173 A CA 0.643 52.625 52.037 -0.092 0.000 0.645 173 A CB -0.721 18.212 19.000 -0.111 0.000 0.816 173 A HN 0.307 nan 8.150 nan 0.000 0.447 174 C N -0.193 119.042 119.300 -0.109 0.000 2.413 174 C HA -0.113 4.347 4.460 0.000 0.000 0.277 174 C C 2.595 177.550 174.990 -0.058 0.000 1.265 174 C CA 1.251 60.217 59.018 -0.086 0.000 1.752 174 C CB -1.214 26.459 27.740 -0.111 0.000 1.998 174 C HN 0.662 nan 8.230 nan 0.000 0.489 175 E N 0.246 120.408 120.200 -0.063 0.000 2.106 175 E HA -0.221 4.129 4.350 0.000 0.000 0.192 175 E C 2.151 178.732 176.600 -0.032 0.000 0.984 175 E CA 1.058 57.432 56.400 -0.044 0.000 0.806 175 E CB -0.238 29.433 29.700 -0.047 0.000 0.750 175 E HN 0.732 nan 8.360 nan 0.000 0.458 176 Q N -0.213 119.566 119.800 -0.034 0.000 2.378 176 Q HA 0.036 4.376 4.340 0.000 0.000 0.205 176 Q C 1.692 177.682 176.000 -0.017 0.000 0.954 176 Q CA 0.855 56.644 55.803 -0.023 0.000 0.901 176 Q CB 0.259 28.983 28.738 -0.025 0.000 0.981 176 Q HN 0.150 nan 8.270 nan 0.000 0.483 177 A N 0.002 122.810 122.820 -0.020 0.000 2.267 177 A HA 0.422 4.742 4.320 0.000 0.000 0.213 177 A C 1.380 178.962 177.584 -0.002 0.000 1.192 177 A CA 0.660 52.692 52.037 -0.009 0.000 0.851 177 A CB 0.310 19.303 19.000 -0.011 0.000 0.881 177 A HN 0.387 nan 8.150 nan 0.000 0.494 178 G N -0.976 107.821 108.800 -0.006 0.000 2.159 178 G HA2 -0.118 3.842 3.960 0.000 0.000 0.170 178 G HA3 -0.118 3.842 3.960 0.000 0.000 0.170 178 G C -0.124 174.780 174.900 0.006 0.000 1.007 178 G CA -0.045 45.056 45.100 0.002 0.000 0.672 178 G HN 0.393 nan 8.290 nan 0.000 0.507 179 I N 2.751 123.320 120.570 -0.001 0.000 2.437 179 I HA 0.328 4.498 4.170 0.000 0.000 0.279 179 I C -2.050 174.060 176.117 -0.012 0.000 1.028 179 I CA -2.358 58.945 61.300 0.005 0.000 1.142 179 I CB 2.029 40.032 38.000 0.004 0.000 1.266 179 I HN -0.127 nan 8.210 nan 0.000 0.461 180 P HA 0.165 nan 4.420 nan 0.000 0.272 180 P C -0.436 176.841 177.300 -0.038 0.000 1.240 180 P CA -0.470 62.616 63.100 -0.022 0.000 0.791 180 P CB 0.618 32.311 31.700 -0.013 0.000 0.978 181 R N 0.201 120.663 120.500 -0.063 0.000 2.570 181 R HA 0.415 4.755 4.340 0.000 0.000 0.277 181 R C 0.281 176.522 176.300 -0.097 0.000 1.039 181 R CA 0.285 56.327 56.100 -0.097 0.000 1.065 181 R CB 0.026 30.270 30.300 -0.093 0.000 0.964 181 R HN 0.559 nan 8.270 nan 0.000 0.428 182 A N 2.850 125.568 122.820 -0.170 0.000 2.479 182 A HA 0.487 4.807 4.320 0.000 0.000 0.296 182 A C -0.914 176.465 177.584 -0.342 0.000 1.121 182 A CA -0.848 51.082 52.037 -0.177 0.000 0.743 182 A CB 1.444 20.415 19.000 -0.050 0.000 1.323 182 A HN 0.597 nan 8.150 nan 0.000 0.415 183 K N 0.413 120.688 120.400 -0.208 0.000 2.130 183 K HA 0.572 4.892 4.320 0.000 0.000 0.268 183 K C -1.408 175.159 176.600 -0.055 0.000 0.983 183 K CA 0.005 56.171 56.287 -0.201 0.000 0.893 183 K CB 1.148 33.611 32.500 -0.060 0.000 1.066 183 K HN 0.581 nan 8.250 nan 0.000 0.450 184 F N 1.792 121.826 119.950 0.140 0.000 2.397 184 F HA 0.174 4.701 4.527 0.000 0.000 0.331 184 F C 0.697 176.553 175.800 0.093 0.000 1.090 184 F CA -0.860 57.264 58.000 0.206 0.000 1.065 184 F CB 1.141 40.294 39.000 0.256 0.000 1.184 184 F HN 0.620 nan 8.300 nan 0.000 0.499 185 N N 0.431 119.306 118.700 0.292 0.000 2.758 185 N HA -0.174 4.566 4.740 0.000 0.000 0.248 185 N C 0.801 176.173 175.510 -0.230 0.000 1.076 185 N CA 1.120 54.101 53.050 -0.115 0.000 0.696 185 N CB -1.602 36.787 38.487 -0.163 0.000 0.979 185 N HN 0.846 nan 8.380 nan 0.000 0.550 186 T N -4.506 109.967 114.554 -0.134 0.000 3.065 186 T HA 0.363 4.713 4.350 0.000 0.000 0.252 186 T C 1.514 175.867 174.700 -0.578 0.000 1.099 186 T CA 1.358 63.330 62.100 -0.213 0.000 1.063 186 T CB 0.549 69.371 68.868 -0.077 0.000 0.948 186 T HN 0.866 nan 8.240 nan 0.000 0.506 187 G N 0.349 108.898 108.800 -0.419 0.000 2.194 187 G HA2 -0.193 3.768 3.960 0.000 0.000 0.236 187 G HA3 -0.193 3.768 3.960 0.000 0.000 0.236 187 G C 0.204 175.163 174.900 0.097 0.000 0.987 187 G CA 0.081 45.138 45.100 -0.071 0.000 0.635 187 G HN 0.702 nan 8.290 nan 0.000 0.520 188 T N 2.547 117.103 114.554 0.003 0.000 2.842 188 T HA 0.525 4.875 4.350 0.000 0.000 0.308 188 T C 0.422 175.144 174.700 0.037 0.000 1.041 188 T CA 0.263 62.376 62.100 0.022 0.000 0.964 188 T CB 1.228 70.091 68.868 -0.009 0.000 0.972 188 T HN 0.300 nan 8.240 nan 0.000 0.460 189 T N 3.351 117.927 114.554 0.036 0.000 2.819 189 T HA 0.030 4.380 4.350 0.000 0.000 0.282 189 T C 0.620 175.303 174.700 -0.029 0.000 1.013 189 T CA 0.029 62.121 62.100 -0.013 0.000 1.159 189 T CB 0.045 68.895 68.868 -0.029 0.000 1.007 189 T HN 0.308 nan 8.240 nan 0.000 0.514 190 V N 5.942 125.819 119.914 -0.063 0.000 2.408 190 V HA 0.086 4.206 4.120 0.000 0.000 0.267 190 V C 1.221 177.243 176.094 -0.119 0.000 1.047 190 V CA -0.131 62.166 62.300 -0.006 0.000 0.937 190 V CB 1.148 33.098 31.823 0.211 0.000 0.999 190 V HN 0.859 nan 8.190 nan 0.000 0.472 191 V N 3.651 123.554 119.914 -0.018 0.000 2.672 191 V HA 0.133 4.253 4.120 0.000 0.000 0.242 191 V C 0.771 176.920 176.094 0.091 0.000 1.059 191 V CA 0.804 63.104 62.300 -0.001 0.000 1.081 191 V CB -0.181 31.648 31.823 0.009 0.000 0.752 191 V HN 0.911 nan 8.190 nan 0.000 0.472 192 N N 0.282 119.048 118.700 0.109 0.000 2.577 192 N HA 0.556 5.296 4.740 0.000 0.000 0.275 192 N C -0.594 174.997 175.510 0.135 0.000 1.091 192 N CA 0.557 53.683 53.050 0.127 0.000 0.843 192 N CB 1.398 39.931 38.487 0.077 0.000 1.295 192 N HN 0.404 nan 8.380 nan 0.000 0.530 193 G N 0.744 109.662 108.800 0.197 0.000 2.387 193 G HA2 0.724 4.684 3.960 0.000 0.000 0.294 193 G HA3 0.724 4.684 3.960 0.000 0.000 0.294 193 G C -1.999 173.038 174.900 0.229 0.000 1.509 193 G CA -0.137 45.071 45.100 0.179 0.000 0.806 193 G HN 0.739 nan 8.290 nan 0.000 0.546 194 A N 0.451 123.329 122.820 0.096 0.000 2.589 194 A HA 0.912 5.232 4.320 0.000 0.000 0.296 194 A C -1.012 176.482 177.584 -0.150 0.000 1.062 194 A CA -0.594 51.465 52.037 0.037 0.000 0.686 194 A CB 2.239 21.194 19.000 -0.075 0.000 1.282 194 A HN 1.310 nan 8.150 nan 0.000 0.404 195 N N -0.683 117.914 118.700 -0.171 0.000 3.355 195 N HA 0.370 5.110 4.740 0.000 0.000 0.238 195 N C -1.427 173.915 175.510 -0.280 0.000 1.466 195 N CA -0.609 52.240 53.050 -0.334 0.000 0.882 195 N CB 0.507 38.675 38.487 -0.532 0.000 1.406 195 N HN 0.450 nan 8.380 nan 0.000 0.500 196 F N 1.394 121.238 119.950 -0.176 0.000 2.607 196 F HA 0.174 4.701 4.527 0.000 0.000 0.374 196 F C 1.162 176.987 175.800 0.043 0.000 1.104 196 F CA 0.376 58.301 58.000 -0.125 0.000 1.296 196 F CB 0.198 39.151 39.000 -0.078 0.000 1.085 196 F HN 0.234 nan 8.300 nan 0.000 0.584 197 F N 1.745 121.928 119.950 0.388 0.000 2.485 197 F HA 0.108 4.635 4.527 0.000 0.000 0.327 197 F C 0.821 176.713 175.800 0.153 0.000 1.203 197 F CA -0.692 57.465 58.000 0.261 0.000 1.295 197 F CB 0.424 39.477 39.000 0.088 0.000 1.191 197 F HN 0.351 nan 8.300 nan 0.000 0.588 198 Q N 2.643 122.612 119.800 0.281 0.000 2.299 198 Q HA 0.513 4.853 4.340 0.000 0.000 0.246 198 Q C -0.605 175.391 176.000 -0.006 0.000 0.935 198 Q CA -0.444 55.404 55.803 0.075 0.000 0.887 198 Q CB 2.034 30.766 28.738 -0.009 0.000 1.223 198 Q HN 0.515 nan 8.270 nan 0.000 0.439 199 I N -0.482 120.087 120.570 -0.002 0.000 2.619 199 I HA 0.325 4.495 4.170 0.000 0.000 0.292 199 I C -0.289 175.813 176.117 -0.024 0.000 1.100 199 I CA -1.240 60.044 61.300 -0.028 0.000 1.043 199 I CB 1.955 39.962 38.000 0.012 0.000 1.239 199 I HN 0.509 nan 8.210 nan 0.000 0.420 200 N N 6.076 124.756 118.700 -0.033 0.000 2.971 200 N HA 0.113 4.853 4.740 0.000 0.000 0.294 200 N C -0.667 174.837 175.510 -0.011 0.000 1.210 200 N CA -0.129 52.913 53.050 -0.014 0.000 1.157 200 N CB 0.401 38.880 38.487 -0.013 0.000 1.450 200 N HN 0.757 nan 8.380 nan 0.000 0.527 201 R N 1.089 121.591 120.500 0.003 0.000 2.750 201 R HA 0.388 4.728 4.340 0.000 0.000 0.281 201 R C -0.454 175.856 176.300 0.017 0.000 0.972 201 R CA -0.756 55.346 56.100 0.002 0.000 0.912 201 R CB 2.064 32.368 30.300 0.007 0.000 1.187 201 R HN 0.319 nan 8.270 nan 0.000 0.464 202 R N 1.274 121.775 120.500 0.001 0.000 2.500 202 R HA 0.257 4.597 4.340 0.000 0.000 0.275 202 R C 0.879 177.189 176.300 0.016 0.000 1.051 202 R CA 0.151 56.260 56.100 0.015 0.000 1.088 202 R CB 1.184 31.465 30.300 -0.033 0.000 1.063 202 R HN 0.779 nan 8.270 nan 0.000 0.511 203 A N 1.676 124.512 122.820 0.026 0.000 2.084 203 A HA -0.204 4.116 4.320 0.000 0.000 0.221 203 A C 1.336 178.922 177.584 0.004 0.000 1.161 203 A CA 1.974 54.017 52.037 0.009 0.000 0.653 203 A CB -0.451 18.555 19.000 0.009 0.000 0.802 203 A HN 0.836 nan 8.150 nan 0.000 0.457 204 D N -2.584 117.819 120.400 0.006 0.000 2.340 204 D HA 0.273 4.913 4.640 0.000 0.000 0.220 204 D C 1.115 177.419 176.300 0.008 0.000 1.039 204 D CA 1.007 55.010 54.000 0.005 0.000 0.866 204 D CB -0.363 40.441 40.800 0.006 0.000 0.913 204 D HN 0.765 nan 8.370 nan 0.000 0.523 205 G N -0.690 108.114 108.800 0.008 0.000 2.184 205 G HA2 -0.202 3.758 3.960 0.000 0.000 0.206 205 G HA3 -0.202 3.758 3.960 0.000 0.000 0.206 205 G C 0.184 175.097 174.900 0.022 0.000 0.995 205 G CA 0.082 45.191 45.100 0.016 0.000 0.651 205 G HN 0.389 nan 8.290 nan 0.000 0.511 206 T N 2.536 117.095 114.554 0.008 0.000 2.728 206 T HA 0.492 4.842 4.350 0.000 0.000 0.296 206 T C 0.844 175.535 174.700 -0.015 0.000 0.940 206 T CA -0.228 61.872 62.100 -0.000 0.000 1.013 206 T CB 0.665 69.524 68.868 -0.016 0.000 0.912 206 T HN 0.736 nan 8.240 nan 0.000 0.484 207 R N 2.239 122.738 120.500 -0.002 0.000 2.523 207 R HA 0.054 4.394 4.340 0.000 0.000 0.281 207 R C -0.263 176.004 176.300 -0.056 0.000 0.969 207 R CA 0.035 56.127 56.100 -0.014 0.000 1.093 207 R CB -0.191 30.113 30.300 0.007 0.000 0.917 207 R HN 0.345 nan 8.270 nan 0.000 0.408 208 S N 2.675 118.339 115.700 -0.061 0.000 3.697 208 S HA 0.009 4.479 4.470 0.000 0.000 0.207 208 S C 0.230 174.781 174.600 -0.082 0.000 1.459 208 S CA -0.162 57.976 58.200 -0.104 0.000 1.122 208 S CB -0.383 62.760 63.200 -0.095 0.000 1.311 208 S HN 0.760 nan 8.310 nan 0.000 0.487 209 S N 1.592 117.248 115.700 -0.074 0.000 2.569 209 S HA 0.054 4.524 4.470 0.000 0.000 0.274 209 S C 1.635 176.220 174.600 -0.026 0.000 1.353 209 S CA -0.138 58.041 58.200 -0.035 0.000 1.023 209 S CB 0.602 63.780 63.200 -0.036 0.000 0.876 209 S HN 0.564 nan 8.310 nan 0.000 0.540 210 S N 1.236 116.977 115.700 0.068 0.000 2.400 210 S HA -0.191 4.279 4.470 0.000 0.000 0.232 210 S C 1.981 176.657 174.600 0.126 0.000 1.025 210 S CA 1.216 59.545 58.200 0.216 0.000 0.993 210 S CB -1.361 61.959 63.200 0.199 0.000 0.808 210 S HN 1.074 nan 8.310 nan 0.000 0.478 211 S N 1.757 117.458 115.700 0.003 0.000 2.345 211 S HA -0.018 4.452 4.470 0.000 0.000 0.219 211 S C 1.865 176.253 174.600 -0.354 0.000 1.031 211 S CA 0.904 59.068 58.200 -0.059 0.000 0.984 211 S CB -1.151 62.046 63.200 -0.004 0.000 0.874 211 S HN 0.345 nan 8.310 nan 0.000 0.451 212 V N 2.329 121.909 119.914 -0.557 0.000 2.252 212 V HA -0.206 3.914 4.120 0.000 0.000 0.249 212 V C 2.972 178.829 176.094 -0.395 0.000 1.056 212 V CA 2.427 64.291 62.300 -0.727 0.000 1.022 212 V CB -1.180 30.388 31.823 -0.425 0.000 0.641 212 V HN 0.595 nan 8.190 nan 0.000 0.445 213 S N -1.839 113.677 115.700 -0.306 0.000 2.357 213 S HA -0.118 4.352 4.470 0.000 0.000 0.221 213 S C 1.823 176.213 174.600 -0.351 0.000 1.031 213 S CA 1.585 59.562 58.200 -0.372 0.000 0.982 213 S CB -0.328 62.578 63.200 -0.490 0.000 0.853 213 S HN 0.651 nan 8.310 nan 0.000 0.458 214 Y N -0.023 120.201 120.300 -0.126 0.000 2.436 214 Y HA 0.236 4.786 4.550 0.000 0.000 0.288 214 Y C 1.882 177.697 175.900 -0.141 0.000 1.112 214 Y CA 0.171 58.202 58.100 -0.115 0.000 1.220 214 Y CB 0.244 38.647 38.460 -0.094 0.000 1.073 214 Y HN 0.195 nan 8.280 nan 0.000 0.552 215 I N -1.541 119.052 120.570 0.039 0.000 3.194 215 I HA -0.074 4.096 4.170 0.000 0.000 0.271 215 I C 1.914 178.096 176.117 0.108 0.000 1.150 215 I CA 0.910 62.227 61.300 0.029 0.000 1.440 215 I CB -1.376 36.701 38.000 0.129 0.000 1.276 215 I HN 0.269 nan 8.210 nan 0.000 0.457 216 H N 1.659 120.711 119.070 -0.031 0.000 2.319 216 H HA -0.132 4.424 4.556 0.000 0.000 0.297 216 H C -0.498 174.811 175.328 -0.032 0.000 1.097 216 H CA 1.546 57.576 56.048 -0.029 0.000 1.285 216 H CB -1.128 28.610 29.762 -0.041 0.000 1.368 216 H HN 0.284 nan 8.280 nan 0.000 0.495 217 P HA -0.074 nan 4.420 nan 0.000 0.223 217 P C 1.170 178.469 177.300 -0.001 0.000 1.151 217 P CA 1.106 64.218 63.100 0.020 0.000 0.787 217 P CB -0.117 31.572 31.700 -0.018 0.000 0.788 218 I N -5.982 114.564 120.570 -0.040 0.000 3.941 218 I HA 0.154 4.324 4.170 0.000 0.000 0.335 218 I C 1.267 177.382 176.117 -0.003 0.000 1.402 218 I CA -0.065 61.182 61.300 -0.088 0.000 1.112 218 I CB -0.133 37.717 38.000 -0.249 0.000 1.043 218 I HN -0.351 nan 8.210 nan 0.000 0.395 219 V N 1.889 121.871 119.914 0.113 0.000 2.380 219 V HA -0.192 3.928 4.120 0.000 0.000 0.251 219 V C 2.200 178.469 176.094 0.293 0.000 1.063 219 V CA 1.973 64.452 62.300 0.299 0.000 1.055 219 V CB -0.508 31.411 31.823 0.160 0.000 0.657 219 V HN 0.529 nan 8.190 nan 0.000 0.455 220 E N -0.446 119.859 120.200 0.174 0.000 2.465 220 E HA 0.057 4.407 4.350 0.000 0.000 0.191 220 E C 0.914 177.601 176.600 0.144 0.000 1.053 220 E CA -0.094 56.390 56.400 0.141 0.000 0.869 220 E CB 0.015 29.768 29.700 0.088 0.000 0.977 220 E HN 0.690 nan 8.360 nan 0.000 0.483 221 Q N 1.007 120.918 119.800 0.184 0.000 2.337 221 Q HA -0.044 4.296 4.340 0.000 0.000 0.270 221 Q C 0.951 177.057 176.000 0.178 0.000 1.002 221 Q CA 0.040 55.937 55.803 0.156 0.000 0.888 221 Q CB 0.888 29.707 28.738 0.135 0.000 1.222 221 Q HN -0.093 nan 8.270 nan 0.000 0.400 222 E N 2.432 122.707 120.200 0.126 0.000 2.086 222 E HA -0.283 4.067 4.350 0.000 0.000 0.200 222 E C 0.982 177.663 176.600 0.135 0.000 1.012 222 E CA 2.208 58.675 56.400 0.110 0.000 0.812 222 E CB 0.085 29.833 29.700 0.080 0.000 0.743 222 E HN 0.797 nan 8.360 nan 0.000 0.453 223 N N -0.523 118.276 118.700 0.164 0.000 2.322 223 N HA -0.040 4.700 4.740 0.000 0.000 0.194 223 N C -0.436 175.237 175.510 0.271 0.000 1.126 223 N CA -0.049 53.114 53.050 0.187 0.000 0.845 223 N CB -0.037 38.549 38.487 0.165 0.000 0.976 223 N HN 0.103 nan 8.380 nan 0.000 0.475 224 F N 1.516 121.526 119.950 0.100 0.000 2.495 224 F HA 0.586 5.113 4.527 0.000 0.000 0.327 224 F C -0.933 174.921 175.800 0.089 0.000 1.103 224 F CA -0.545 57.505 58.000 0.083 0.000 0.949 224 F CB 1.821 40.857 39.000 0.059 0.000 1.142 224 F HN -0.154 nan 8.300 nan 0.000 0.457 225 T N 7.040 121.130 114.554 -0.774 0.000 2.841 225 T HA 0.483 4.833 4.350 0.000 0.000 0.285 225 T C -1.337 172.784 174.700 -0.966 0.000 0.991 225 T CA -0.486 61.231 62.100 -0.639 0.000 0.966 225 T CB 1.507 70.239 68.868 -0.227 0.000 0.962 225 T HN 0.623 nan 8.240 nan 0.000 0.438 226 L N 4.469 125.315 121.223 -0.628 0.000 2.265 226 L HA 0.532 4.872 4.340 0.000 0.000 0.289 226 L C -1.198 175.636 176.870 -0.060 0.000 1.033 226 L CA -0.742 53.903 54.840 -0.324 0.000 0.814 226 L CB 0.556 42.571 42.059 -0.073 0.000 1.203 226 L HN 0.513 nan 8.230 nan 0.000 0.423 227 L N 5.547 126.722 121.223 -0.080 0.000 2.301 227 L HA 0.432 4.772 4.340 0.000 0.000 0.278 227 L C 0.489 177.386 176.870 0.044 0.000 1.022 227 L CA -0.222 54.605 54.840 -0.022 0.000 0.854 227 L CB 0.678 42.688 42.059 -0.080 0.000 1.226 227 L HN 0.740 nan 8.230 nan 0.000 0.429 228 T N -1.987 112.641 114.554 0.123 0.000 2.910 228 T HA 0.597 4.947 4.350 0.000 0.000 0.279 228 T C 1.129 175.878 174.700 0.082 0.000 0.989 228 T CA 0.089 62.268 62.100 0.133 0.000 0.968 228 T CB 1.901 70.907 68.868 0.230 0.000 1.135 228 T HN 0.811 nan 8.240 nan 0.000 0.562 229 G N 0.074 108.918 108.800 0.073 0.000 2.212 229 G HA2 -0.199 3.761 3.960 0.000 0.000 0.267 229 G HA3 -0.199 3.761 3.960 0.000 0.000 0.267 229 G C -0.102 174.824 174.900 0.044 0.000 1.002 229 G CA 0.739 45.866 45.100 0.045 0.000 0.729 229 G HN 0.879 nan 8.290 nan 0.000 0.517 230 L N -0.666 120.589 121.223 0.053 0.000 2.356 230 L HA 0.633 4.973 4.340 0.000 0.000 0.277 230 L C 0.418 177.331 176.870 0.071 0.000 0.996 230 L CA -1.001 53.872 54.840 0.055 0.000 0.822 230 L CB 2.066 44.147 42.059 0.035 0.000 1.256 230 L HN 0.185 nan 8.230 nan 0.000 0.413 231 R N 2.572 123.117 120.500 0.076 0.000 2.445 231 R HA 0.760 5.100 4.340 0.000 0.000 0.308 231 R C -0.571 175.725 176.300 -0.007 0.000 0.961 231 R CA -0.429 55.735 56.100 0.107 0.000 0.862 231 R CB 1.766 32.187 30.300 0.201 0.000 1.144 231 R HN 0.750 nan 8.270 nan 0.000 0.447 232 A N 3.593 126.404 122.820 -0.016 0.000 2.371 232 A HA 0.222 4.543 4.320 0.000 0.000 0.257 232 A C 0.661 178.101 177.584 -0.240 0.000 1.089 232 A CA -0.468 51.504 52.037 -0.109 0.000 0.794 232 A CB 0.444 19.407 19.000 -0.063 0.000 1.029 232 A HN 1.060 nan 8.150 nan 0.000 0.488 233 R N 0.151 120.436 120.500 -0.358 0.000 2.435 233 R HA 0.341 4.681 4.340 0.000 0.000 0.221 233 R C 0.270 176.434 176.300 -0.227 0.000 0.885 233 R CA 0.153 55.939 56.100 -0.524 0.000 1.018 233 R CB 0.451 30.142 30.300 -1.014 0.000 1.259 233 R HN 0.684 nan 8.270 nan 0.000 0.597 234 Q N 0.659 120.365 119.800 -0.156 0.000 2.545 234 Q HA 0.379 4.719 4.340 0.000 0.000 0.273 234 Q C -1.889 174.064 176.000 -0.077 0.000 0.975 234 Q CA -0.675 55.083 55.803 -0.074 0.000 0.876 234 Q CB 2.212 30.918 28.738 -0.054 0.000 1.472 234 Q HN 0.154 nan 8.270 nan 0.000 0.389 235 L N 2.048 123.243 121.223 -0.048 0.000 2.343 235 L HA 0.668 5.008 4.340 0.000 0.000 0.275 235 L C -0.578 176.129 176.870 -0.271 0.000 1.056 235 L CA -0.939 53.789 54.840 -0.186 0.000 0.804 235 L CB 1.715 43.655 42.059 -0.198 0.000 1.203 235 L HN 0.359 nan 8.230 nan 0.000 0.440 236 V N 2.303 121.941 119.914 -0.460 0.000 2.459 236 V HA 0.490 4.610 4.120 0.000 0.000 0.295 236 V C -0.507 175.238 176.094 -0.581 0.000 1.029 236 V CA -0.473 61.635 62.300 -0.320 0.000 0.874 236 V CB 1.482 33.211 31.823 -0.156 0.000 0.985 236 V HN 0.399 nan 8.190 nan 0.000 0.438 237 F N 0.736 120.683 119.950 -0.004 0.000 2.598 237 F HA 0.545 5.072 4.527 0.000 0.000 0.327 237 F C 0.483 176.282 175.800 -0.002 0.000 1.057 237 F CA -0.888 57.110 58.000 -0.002 0.000 0.957 237 F CB 1.285 40.283 39.000 -0.004 0.000 1.278 237 F HN 0.376 nan 8.300 nan 0.000 0.484 238 D N 0.079 120.603 120.400 0.207 0.000 2.393 238 D HA 0.309 4.949 4.640 0.000 0.000 0.246 238 D C 0.970 177.330 176.300 0.100 0.000 1.275 238 D CA 0.366 54.434 54.000 0.113 0.000 0.979 238 D CB 0.924 41.777 40.800 0.089 0.000 1.101 238 D HN 0.565 nan 8.370 nan 0.000 0.505 239 A N 0.397 123.252 122.820 0.058 0.000 1.969 239 A HA -0.142 4.178 4.320 0.000 0.000 0.218 239 A C 1.491 179.095 177.584 0.032 0.000 1.169 239 A CA 1.271 53.331 52.037 0.038 0.000 0.635 239 A CB -0.207 18.808 19.000 0.025 0.000 0.810 239 A HN 0.447 nan 8.150 nan 0.000 0.445 240 D N -1.058 119.367 120.400 0.040 0.000 2.312 240 D HA -0.019 4.621 4.640 0.000 0.000 0.211 240 D C 0.642 176.965 176.300 0.039 0.000 0.964 240 D CA 0.609 54.630 54.000 0.034 0.000 0.877 240 D CB -0.087 40.734 40.800 0.036 0.000 0.924 240 D HN 0.495 nan 8.370 nan 0.000 0.515 241 R N -1.229 119.310 120.500 0.065 0.000 3.643 241 R HA -0.128 4.212 4.340 0.000 0.000 0.466 241 R C 0.356 176.768 176.300 0.186 0.000 0.985 241 R CA 0.202 56.342 56.100 0.065 0.000 1.148 241 R CB -1.542 28.745 30.300 -0.022 0.000 1.841 241 R HN 0.071 nan 8.270 nan 0.000 0.510 242 R N 1.784 122.392 120.500 0.179 0.000 2.210 242 R HA 0.172 4.512 4.340 0.000 0.000 0.338 242 R C 0.121 176.537 176.300 0.194 0.000 1.062 242 R CA -0.049 56.153 56.100 0.169 0.000 0.902 242 R CB 0.671 31.023 30.300 0.086 0.000 1.050 242 R HN 0.238 nan 8.270 nan 0.000 0.461 243 C N 4.047 123.469 119.300 0.204 0.000 2.563 243 C HA -0.008 4.452 4.460 0.000 0.000 0.411 243 C C 1.966 176.877 174.990 -0.132 0.000 1.386 243 C CA 0.803 59.719 59.018 -0.170 0.000 1.703 243 C CB -0.202 27.416 27.740 -0.204 0.000 2.596 243 C HN 0.943 nan 8.230 nan 0.000 0.605 244 T N 2.164 116.598 114.554 -0.199 0.000 2.958 244 T HA 0.534 4.884 4.350 0.000 0.000 0.256 244 T C 0.621 175.257 174.700 -0.106 0.000 0.983 244 T CA 0.637 62.673 62.100 -0.105 0.000 0.924 244 T CB 0.281 69.112 68.868 -0.062 0.000 1.136 244 T HN 1.531 nan 8.240 nan 0.000 0.506 245 G N 0.300 109.001 108.800 -0.166 0.000 2.356 245 G HA2 0.457 4.417 3.960 0.000 0.000 0.281 245 G HA3 0.457 4.417 3.960 0.000 0.000 0.281 245 G C -2.145 172.663 174.900 -0.155 0.000 1.246 245 G CA 0.079 45.110 45.100 -0.115 0.000 0.889 245 G HN 0.766 nan 8.290 nan 0.000 0.486 246 V N 0.309 120.166 119.914 -0.096 0.000 2.932 246 V HA 0.632 4.752 4.120 0.000 0.000 0.307 246 V C -1.725 174.328 176.094 -0.068 0.000 1.147 246 V CA -0.843 61.398 62.300 -0.098 0.000 0.951 246 V CB 2.188 33.961 31.823 -0.083 0.000 1.031 246 V HN 0.731 nan 8.190 nan 0.000 0.426 247 D N 5.539 125.888 120.400 -0.085 0.000 2.198 247 D HA 0.608 5.248 4.640 0.000 0.000 0.245 247 D C -0.120 176.111 176.300 -0.115 0.000 1.079 247 D CA 0.296 54.247 54.000 -0.082 0.000 0.854 247 D CB 1.862 42.607 40.800 -0.092 0.000 1.148 247 D HN 0.719 nan 8.370 nan 0.000 0.456 248 I N -1.601 118.929 120.570 -0.068 0.000 3.145 248 I HA 0.743 4.913 4.170 0.000 0.000 0.313 248 I C -0.747 175.358 176.117 -0.021 0.000 1.122 248 I CA -1.214 60.048 61.300 -0.063 0.000 0.987 248 I CB 2.268 40.267 38.000 -0.001 0.000 1.236 248 I HN 0.115 nan 8.210 nan 0.000 0.453 249 V N -0.486 119.427 119.914 -0.001 0.000 2.808 249 V HA 0.496 4.616 4.120 0.000 0.000 0.308 249 V C -0.423 175.737 176.094 0.110 0.000 1.099 249 V CA -0.517 61.824 62.300 0.069 0.000 0.920 249 V CB 1.565 33.410 31.823 0.037 0.000 1.014 249 V HN 0.841 nan 8.190 nan 0.000 0.425 250 D N 2.231 122.725 120.400 0.156 0.000 2.309 250 D HA 0.088 4.728 4.640 0.000 0.000 0.212 250 D C 0.934 177.291 176.300 0.096 0.000 0.968 250 D CA 1.843 55.920 54.000 0.129 0.000 0.882 250 D CB 0.301 41.204 40.800 0.172 0.000 0.918 250 D HN 0.919 nan 8.370 nan 0.000 0.503 251 S N -2.021 113.738 115.700 0.097 0.000 2.614 251 S HA 0.457 4.927 4.470 0.000 0.000 0.280 251 S C 0.069 174.701 174.600 0.053 0.000 1.111 251 S CA -0.126 58.122 58.200 0.079 0.000 0.847 251 S CB 0.913 64.173 63.200 0.100 0.000 1.079 251 S HN -0.036 nan 8.310 nan 0.000 0.452 252 A N 1.817 124.629 122.820 -0.014 0.000 2.131 252 A HA 0.173 4.493 4.320 0.000 0.000 0.220 252 A C 0.769 177.936 177.584 -0.695 0.000 1.158 252 A CA 1.482 53.352 52.037 -0.277 0.000 0.665 252 A CB -0.702 18.092 19.000 -0.343 0.000 0.795 252 A HN 0.832 nan 8.150 nan 0.000 0.460 253 F N -2.225 117.742 119.950 0.030 0.000 2.825 253 F HA 0.303 4.830 4.527 0.000 0.000 0.322 253 F C 1.806 177.569 175.800 -0.061 0.000 1.127 253 F CA -0.245 57.747 58.000 -0.014 0.000 1.164 253 F CB 0.016 38.996 39.000 -0.033 0.000 1.101 253 F HN 0.186 nan 8.300 nan 0.000 0.529 254 G N -0.196 108.639 108.800 0.060 0.000 2.830 254 G HA2 0.078 4.038 3.960 0.000 0.000 0.172 254 G HA3 0.078 4.038 3.960 0.000 0.000 0.172 254 G C -0.257 174.500 174.900 -0.238 0.000 1.782 254 G CA 0.407 45.494 45.100 -0.021 0.000 0.900 254 G HN 0.225 nan 8.290 nan 0.000 0.389 255 H N -2.003 117.114 119.070 0.079 0.000 3.016 255 H HA 0.419 4.975 4.556 0.000 0.000 0.362 255 H C -1.049 174.182 175.328 -0.162 0.000 1.233 255 H CA -0.390 55.641 56.048 -0.028 0.000 1.124 255 H CB 1.804 31.565 29.762 -0.000 0.000 1.850 255 H HN 0.270 nan 8.280 nan 0.000 0.549 256 T N 2.824 117.262 114.554 -0.192 0.000 2.821 256 T HA 0.355 4.705 4.350 0.000 0.000 0.307 256 T C -0.490 173.957 174.700 -0.421 0.000 1.034 256 T CA -0.613 61.349 62.100 -0.230 0.000 0.953 256 T CB -0.070 68.733 68.868 -0.108 0.000 0.968 256 T HN 0.377 nan 8.240 nan 0.000 0.462 257 H N 0.873 119.951 119.070 0.014 0.000 2.569 257 H HA 0.620 5.176 4.556 0.000 0.000 0.357 257 H C 0.090 175.412 175.328 -0.010 0.000 1.153 257 H CA -0.963 55.087 56.048 0.004 0.000 1.193 257 H CB 1.345 31.113 29.762 0.009 0.000 1.602 257 H HN 0.362 nan 8.280 nan 0.000 0.523 258 R N 2.199 122.763 120.500 0.107 0.000 2.404 258 R HA 0.454 4.794 4.340 0.000 0.000 0.291 258 R C -1.178 175.162 176.300 0.066 0.000 1.025 258 R CA -0.543 55.588 56.100 0.051 0.000 0.991 258 R CB 0.564 30.875 30.300 0.018 0.000 1.053 258 R HN 0.569 nan 8.270 nan 0.000 0.479 259 L N 3.027 124.283 121.223 0.056 0.000 2.334 259 L HA 0.510 4.850 4.340 0.000 0.000 0.276 259 L C -0.018 176.888 176.870 0.061 0.000 1.014 259 L CA -1.006 53.893 54.840 0.098 0.000 0.815 259 L CB 2.028 44.162 42.059 0.126 0.000 1.268 259 L HN 0.765 nan 8.230 nan 0.000 0.428 260 T N -0.719 113.878 114.554 0.073 0.000 2.856 260 T HA 0.819 5.169 4.350 0.000 0.000 0.283 260 T C -0.474 174.257 174.700 0.051 0.000 1.008 260 T CA -0.779 61.337 62.100 0.026 0.000 0.997 260 T CB 2.168 71.031 68.868 -0.008 0.000 0.992 260 T HN 0.705 nan 8.240 nan 0.000 0.454 261 A N 2.333 125.158 122.820 0.009 0.000 2.330 261 A HA 0.626 4.946 4.320 0.000 0.000 0.313 261 A C 0.983 178.535 177.584 -0.054 0.000 1.124 261 A CA -1.026 51.011 52.037 -0.000 0.000 0.774 261 A CB 1.255 20.258 19.000 0.005 0.000 1.198 261 A HN 0.923 nan 8.150 nan 0.000 0.465 262 R N 1.271 121.715 120.500 -0.095 0.000 2.066 262 R HA -0.017 4.323 4.340 0.000 0.000 0.224 262 R C 1.344 177.555 176.300 -0.148 0.000 1.122 262 R CA 1.153 57.187 56.100 -0.110 0.000 0.974 262 R CB 0.059 30.292 30.300 -0.112 0.000 0.871 262 R HN 0.779 nan 8.270 nan 0.000 0.435 263 N N 0.176 118.702 118.700 -0.291 0.000 2.244 263 N HA 0.017 4.757 4.740 0.000 0.000 0.189 263 N C -0.018 175.434 175.510 -0.096 0.000 1.047 263 N CA 0.931 53.795 53.050 -0.311 0.000 0.870 263 N CB 0.559 38.589 38.487 -0.761 0.000 1.041 263 N HN 0.140 nan 8.380 nan 0.000 0.448 264 E N -0.108 120.077 120.200 -0.025 0.000 2.392 264 E HA 0.344 4.694 4.350 0.000 0.000 0.279 264 E C -1.513 175.212 176.600 0.208 0.000 0.964 264 E CA -0.473 56.045 56.400 0.197 0.000 0.777 264 E CB 3.150 33.073 29.700 0.371 0.000 1.249 264 E HN -0.203 nan 8.360 nan 0.000 0.449 265 V N 2.107 122.085 119.914 0.106 0.000 2.427 265 V HA 0.355 4.475 4.120 0.000 0.000 0.286 265 V C -0.413 175.717 176.094 0.059 0.000 1.034 265 V CA -0.652 61.687 62.300 0.066 0.000 0.893 265 V CB 1.508 33.319 31.823 -0.020 0.000 0.982 265 V HN 0.382 nan 8.190 nan 0.000 0.452 266 V N 5.857 125.799 119.914 0.046 0.000 2.448 266 V HA 0.458 4.578 4.120 0.000 0.000 0.295 266 V C -0.377 175.716 176.094 -0.000 0.000 1.025 266 V CA -0.724 61.586 62.300 0.017 0.000 0.859 266 V CB 1.612 33.432 31.823 -0.005 0.000 0.988 266 V HN 0.620 nan 8.190 nan 0.000 0.431 267 L N 4.228 125.448 121.223 -0.005 0.000 2.265 267 L HA 0.567 4.907 4.340 0.000 0.000 0.288 267 L C 0.620 177.477 176.870 -0.022 0.000 1.058 267 L CA 0.954 55.785 54.840 -0.015 0.000 0.809 267 L CB 1.613 43.663 42.059 -0.015 0.000 1.179 267 L HN 0.752 nan 8.230 nan 0.000 0.429 268 S N 0.747 116.434 115.700 -0.021 0.000 2.825 268 S HA 0.059 4.529 4.470 0.000 0.000 0.242 268 S C 0.897 175.487 174.600 -0.017 0.000 0.980 268 S CA 0.126 58.313 58.200 -0.021 0.000 1.107 268 S CB 0.266 63.457 63.200 -0.016 0.000 1.172 268 S HN 0.785 nan 8.310 nan 0.000 0.483 269 T N -0.404 114.129 114.554 -0.034 0.000 3.129 269 T HA 0.512 4.862 4.350 0.000 0.000 0.251 269 T C 1.130 175.786 174.700 -0.074 0.000 1.117 269 T CA 0.303 62.377 62.100 -0.045 0.000 1.034 269 T CB 0.040 68.865 68.868 -0.073 0.000 0.968 269 T HN 0.830 nan 8.240 nan 0.000 0.526 270 G N 0.545 109.304 108.800 -0.067 0.000 2.655 270 G HA2 0.211 4.171 3.960 0.000 0.000 0.680 270 G HA3 0.211 4.171 3.960 0.000 0.000 0.680 270 G C 0.540 175.371 174.900 -0.115 0.000 1.302 270 G CA -0.450 44.606 45.100 -0.073 0.000 0.872 270 G HN 0.787 nan 8.290 nan 0.000 0.540 271 A N -0.866 121.882 122.820 -0.120 0.000 2.235 271 A HA 0.515 4.835 4.320 0.000 0.000 0.208 271 A C 2.079 179.541 177.584 -0.204 0.000 1.172 271 A CA 1.767 53.710 52.037 -0.157 0.000 0.786 271 A CB -0.248 18.659 19.000 -0.155 0.000 0.804 271 A HN 0.782 nan 8.150 nan 0.000 0.479 272 I N -1.753 118.678 120.570 -0.232 0.000 3.443 272 I HA 0.019 4.189 4.170 0.000 0.000 0.277 272 I C 1.164 177.077 176.117 -0.339 0.000 1.169 272 I CA 0.339 61.439 61.300 -0.333 0.000 1.419 272 I CB 0.092 37.820 38.000 -0.453 0.000 1.331 272 I HN 0.084 nan 8.210 nan 0.000 0.458 273 D N 0.507 120.718 120.400 -0.315 0.000 2.289 273 D HA -0.061 4.579 4.640 0.000 0.000 0.207 273 D C 1.977 178.162 176.300 -0.191 0.000 0.966 273 D CA 1.114 54.935 54.000 -0.299 0.000 0.868 273 D CB 0.136 40.717 40.800 -0.364 0.000 0.943 273 D HN 0.213 nan 8.370 nan 0.000 0.514 274 T N 1.615 116.073 114.554 -0.159 0.000 2.701 274 T HA -0.061 4.289 4.350 0.000 0.000 0.263 274 T C -0.915 173.722 174.700 -0.104 0.000 1.040 274 T CA 1.094 63.126 62.100 -0.113 0.000 1.147 274 T CB -0.867 67.942 68.868 -0.100 0.000 0.865 274 T HN 0.161 nan 8.240 nan 0.000 0.426 275 P HA -0.108 nan 4.420 nan 0.000 0.215 275 P C 1.405 178.653 177.300 -0.087 0.000 1.153 275 P CA 1.384 64.421 63.100 -0.105 0.000 0.853 275 P CB -0.066 31.554 31.700 -0.132 0.000 0.788 276 K N -0.243 120.086 120.400 -0.118 0.000 2.020 276 K HA -0.196 4.124 4.320 0.000 0.000 0.212 276 K C 2.106 178.667 176.600 -0.065 0.000 1.050 276 K CA 1.538 57.764 56.287 -0.102 0.000 0.929 276 K CB -1.008 31.401 32.500 -0.152 0.000 0.714 276 K HN -0.071 nan 8.250 nan 0.000 0.443 277 L N 1.249 122.431 121.223 -0.067 0.000 2.027 277 L HA -0.054 4.286 4.340 0.000 0.000 0.206 277 L C 2.116 178.982 176.870 -0.007 0.000 1.074 277 L CA 1.451 56.268 54.840 -0.038 0.000 0.745 277 L CB -0.441 41.588 42.059 -0.050 0.000 0.898 277 L HN 0.305 nan 8.230 nan 0.000 0.433 278 L N -1.432 119.787 121.223 -0.006 0.000 2.013 278 L HA -0.316 4.024 4.340 0.000 0.000 0.212 278 L C 2.567 179.447 176.870 0.017 0.000 1.073 278 L CA 1.924 56.777 54.840 0.023 0.000 0.753 278 L CB -0.538 41.522 42.059 0.002 0.000 0.890 278 L HN 0.333 nan 8.230 nan 0.000 0.432 279 M N -0.913 118.684 119.600 -0.004 0.000 2.099 279 M HA -0.203 4.277 4.480 0.000 0.000 0.262 279 M C 2.331 178.625 176.300 -0.011 0.000 1.067 279 M CA 1.689 56.985 55.300 -0.006 0.000 1.124 279 M CB -0.420 32.182 32.600 0.004 0.000 1.353 279 M HN 0.218 nan 8.290 nan 0.000 0.410 280 L N -0.482 120.736 121.223 -0.009 0.000 2.127 280 L HA -0.181 4.159 4.340 0.000 0.000 0.211 280 L C 2.058 178.946 176.870 0.030 0.000 1.089 280 L CA 0.893 55.735 54.840 0.004 0.000 0.757 280 L CB -0.508 41.561 42.059 0.016 0.000 0.899 280 L HN 0.225 nan 8.230 nan 0.000 0.434 281 S N -0.607 115.126 115.700 0.056 0.000 2.631 281 S HA 0.222 4.692 4.470 0.000 0.000 0.217 281 S C 1.356 176.013 174.600 0.094 0.000 0.958 281 S CA 0.598 58.875 58.200 0.129 0.000 0.920 281 S CB 0.499 63.836 63.200 0.227 0.000 0.776 281 S HN 0.633 nan 8.310 nan 0.000 0.517 282 G N 1.565 110.376 108.800 0.018 0.000 2.141 282 G HA2 -0.209 3.751 3.960 0.000 0.000 0.231 282 G HA3 -0.209 3.751 3.960 0.000 0.000 0.231 282 G C -0.091 174.761 174.900 -0.080 0.000 0.984 282 G CA -0.350 44.726 45.100 -0.041 0.000 0.660 282 G HN 0.512 nan 8.290 nan 0.000 0.525 283 I N 0.816 121.355 120.570 -0.051 0.000 2.411 283 I HA 0.674 4.844 4.170 0.000 0.000 0.284 283 I C 0.703 176.803 176.117 -0.029 0.000 1.012 283 I CA -0.039 61.226 61.300 -0.059 0.000 1.119 283 I CB 1.318 39.287 38.000 -0.052 0.000 1.261 283 I HN 0.476 nan 8.210 nan 0.000 0.448 284 G N 6.573 115.356 108.800 -0.028 0.000 2.323 284 G HA2 0.250 4.210 3.960 0.000 0.000 0.291 284 G HA3 0.250 4.210 3.960 0.000 0.000 0.291 284 G C -3.378 171.522 174.900 -0.000 0.000 1.278 284 G CA -0.737 44.358 45.100 -0.008 0.000 0.860 284 G HN 0.183 nan 8.290 nan 0.000 0.504 285 P HA 0.384 nan 4.420 nan 0.000 0.270 285 P C 0.948 178.273 177.300 0.042 0.000 1.242 285 P CA 0.679 63.793 63.100 0.022 0.000 0.768 285 P CB 1.174 32.885 31.700 0.018 0.000 0.820 286 A N 5.333 128.158 122.820 0.009 0.000 1.896 286 A HA -0.281 4.039 4.320 0.000 0.000 0.220 286 A C 2.129 179.718 177.584 0.008 0.000 1.206 286 A CA 2.586 54.622 52.037 -0.001 0.000 0.647 286 A CB -1.586 17.406 19.000 -0.013 0.000 0.828 286 A HN 0.501 nan 8.150 nan 0.000 0.455 287 A N -2.123 120.708 122.820 0.018 0.000 1.968 287 A HA -0.148 4.172 4.320 0.000 0.000 0.217 287 A C 2.067 179.677 177.584 0.043 0.000 1.169 287 A CA 1.540 53.585 52.037 0.014 0.000 0.638 287 A CB -0.882 18.123 19.000 0.007 0.000 0.812 287 A HN 0.801 nan 8.150 nan 0.000 0.446 288 H N -0.163 118.889 119.070 -0.031 0.000 2.389 288 H HA -0.016 4.540 4.556 0.000 0.000 0.299 288 H C 1.775 177.124 175.328 0.034 0.000 1.081 288 H CA 1.491 57.533 56.048 -0.010 0.000 1.345 288 H CB 0.031 29.794 29.762 0.003 0.000 1.393 288 H HN 0.437 nan 8.280 nan 0.000 0.520 289 L N 0.038 121.232 121.223 -0.048 0.000 2.072 289 L HA -0.051 4.289 4.340 0.000 0.000 0.205 289 L C 3.022 179.852 176.870 -0.067 0.000 1.079 289 L CA 0.816 55.607 54.840 -0.082 0.000 0.752 289 L CB -0.505 41.531 42.059 -0.038 0.000 0.906 289 L HN 0.240 nan 8.230 nan 0.000 0.436 290 A N -0.182 122.604 122.820 -0.056 0.000 2.070 290 A HA -0.231 4.089 4.320 0.000 0.000 0.220 290 A C 2.237 179.767 177.584 -0.091 0.000 1.159 290 A CA 1.568 53.572 52.037 -0.055 0.000 0.656 290 A CB -0.475 18.501 19.000 -0.041 0.000 0.800 290 A HN 0.503 nan 8.150 nan 0.000 0.453 291 E N -0.661 119.445 120.200 -0.157 0.000 2.150 291 E HA -0.177 4.173 4.350 0.000 0.000 0.193 291 E C 0.514 176.882 176.600 -0.388 0.000 0.985 291 E CA 0.845 57.075 56.400 -0.283 0.000 0.814 291 E CB -0.102 29.374 29.700 -0.373 0.000 0.752 291 E HN 0.766 nan 8.360 nan 0.000 0.466 292 H N -1.046 117.953 119.070 -0.119 0.000 2.524 292 H HA 0.213 4.769 4.556 0.000 0.000 0.297 292 H C 0.761 176.046 175.328 -0.072 0.000 1.115 292 H CA 0.421 56.408 56.048 -0.101 0.000 1.027 292 H CB 0.726 30.400 29.762 -0.146 0.000 1.591 292 H HN 0.352 nan 8.280 nan 0.000 0.543 293 G N 1.615 110.417 108.800 0.003 0.000 2.233 293 G HA2 -0.310 3.650 3.960 0.000 0.000 0.270 293 G HA3 -0.310 3.650 3.960 0.000 0.000 0.270 293 G C 0.306 175.208 174.900 0.004 0.000 1.011 293 G CA 0.233 45.334 45.100 0.001 0.000 0.762 293 G HN 0.442 nan 8.290 nan 0.000 0.511 294 I N 0.423 120.994 120.570 0.002 0.000 2.365 294 I HA 0.220 4.390 4.170 0.000 0.000 0.291 294 I C 0.794 176.902 176.117 -0.015 0.000 1.004 294 I CA -0.516 60.782 61.300 -0.004 0.000 1.311 294 I CB 1.249 39.243 38.000 -0.009 0.000 1.401 294 I HN 0.076 nan 8.210 nan 0.000 0.491 295 E N 5.266 125.459 120.200 -0.012 0.000 2.290 295 E HA 0.169 4.519 4.350 0.000 0.000 0.277 295 E C -0.926 175.656 176.600 -0.031 0.000 1.035 295 E CA -0.484 55.904 56.400 -0.019 0.000 0.873 295 E CB 1.266 30.958 29.700 -0.013 0.000 1.029 295 E HN 0.293 nan 8.360 nan 0.000 0.419 296 V N 6.300 126.192 119.914 -0.037 0.000 2.521 296 V HA -0.069 4.051 4.120 0.000 0.000 0.286 296 V C 1.034 177.084 176.094 -0.073 0.000 1.034 296 V CA 0.229 62.499 62.300 -0.050 0.000 1.045 296 V CB 0.985 32.783 31.823 -0.042 0.000 0.974 296 V HN 0.705 nan 8.190 nan 0.000 0.480 297 L N 6.274 127.432 121.223 -0.109 0.000 2.349 297 L HA 0.362 4.702 4.340 0.000 0.000 0.200 297 L C 0.518 177.293 176.870 -0.159 0.000 1.064 297 L CA 1.449 56.190 54.840 -0.166 0.000 0.821 297 L CB 0.684 42.569 42.059 -0.290 0.000 1.027 297 L HN 0.453 nan 8.230 nan 0.000 0.476 298 V N 0.940 120.766 119.914 -0.146 0.000 2.443 298 V HA 0.290 4.410 4.120 0.000 0.000 0.293 298 V C -1.107 174.944 176.094 -0.073 0.000 1.021 298 V CA -0.985 61.250 62.300 -0.109 0.000 0.848 298 V CB 1.301 33.052 31.823 -0.121 0.000 0.998 298 V HN 0.097 nan 8.190 nan 0.000 0.424 299 D N 3.288 123.655 120.400 -0.055 0.000 2.367 299 D HA 0.066 4.706 4.640 0.000 0.000 0.255 299 D C 0.122 176.401 176.300 -0.036 0.000 1.300 299 D CA 0.674 54.651 54.000 -0.039 0.000 0.959 299 D CB 0.813 41.594 40.800 -0.031 0.000 1.064 299 D HN 0.473 nan 8.370 nan 0.000 0.509 300 S N 4.930 120.609 115.700 -0.036 0.000 2.328 300 S HA 0.292 4.762 4.470 0.000 0.000 0.204 300 S C -1.767 172.811 174.600 -0.037 0.000 1.475 300 S CA -1.335 56.844 58.200 -0.035 0.000 1.148 300 S CB 1.001 64.178 63.200 -0.039 0.000 1.077 300 S HN 0.353 nan 8.310 nan 0.000 0.479 301 P HA 0.040 nan 4.420 nan 0.000 0.236 301 P C 1.076 178.327 177.300 -0.081 0.000 1.172 301 P CA 0.573 63.645 63.100 -0.047 0.000 0.759 301 P CB -0.101 31.579 31.700 -0.033 0.000 0.843 302 G N -0.424 108.333 108.800 -0.072 0.000 3.020 302 G HA2 0.098 4.058 3.960 0.000 0.000 0.217 302 G HA3 0.098 4.058 3.960 0.000 0.000 0.217 302 G C 0.310 175.115 174.900 -0.159 0.000 1.144 302 G CA -0.017 45.018 45.100 -0.109 0.000 0.760 302 G HN 0.113 nan 8.290 nan 0.000 0.548 303 V N 1.603 121.449 119.914 -0.115 0.000 2.403 303 V HA 0.466 4.586 4.120 0.000 0.000 0.265 303 V C 1.482 177.488 176.094 -0.147 0.000 1.034 303 V CA 1.158 63.392 62.300 -0.109 0.000 1.036 303 V CB 0.003 31.788 31.823 -0.064 0.000 1.032 303 V HN 0.658 nan 8.190 nan 0.000 0.478 304 G N 3.601 112.292 108.800 -0.182 0.000 2.176 304 G HA2 -0.156 3.804 3.960 0.000 0.000 0.232 304 G HA3 -0.156 3.804 3.960 0.000 0.000 0.232 304 G C 0.039 174.772 174.900 -0.279 0.000 0.986 304 G CA -0.209 44.766 45.100 -0.208 0.000 0.643 304 G HN 0.568 nan 8.290 nan 0.000 0.522 305 E N -0.327 119.640 120.200 -0.388 0.000 2.232 305 E HA 0.563 4.913 4.350 0.000 0.000 0.265 305 E C 0.770 176.985 176.600 -0.641 0.000 1.001 305 E CA -0.385 55.643 56.400 -0.620 0.000 0.870 305 E CB 0.458 29.600 29.700 -0.931 0.000 1.175 305 E HN 0.599 nan 8.360 nan 0.000 0.407 306 H N -1.386 117.591 119.070 -0.154 0.000 2.936 306 H HA -0.202 4.354 4.556 0.000 0.000 0.276 306 H C 0.093 175.309 175.328 -0.188 0.000 1.216 306 H CA -0.033 55.914 56.048 -0.168 0.000 1.132 306 H CB -1.843 27.806 29.762 -0.188 0.000 1.303 306 H HN 0.126 nan 8.280 nan 0.000 0.370 307 L N 1.766 122.906 121.223 -0.139 0.000 2.462 307 L HA 0.208 4.548 4.340 0.000 0.000 0.272 307 L C 0.271 177.052 176.870 -0.147 0.000 1.166 307 L CA 0.702 55.442 54.840 -0.167 0.000 0.880 307 L CB 0.686 42.621 42.059 -0.207 0.000 1.142 307 L HN 0.321 nan 8.230 nan 0.000 0.473 308 Q N 3.273 122.990 119.800 -0.139 0.000 2.458 308 Q HA 0.651 4.991 4.340 0.000 0.000 0.282 308 Q C -1.405 174.591 176.000 -0.008 0.000 1.106 308 Q CA -0.843 54.914 55.803 -0.076 0.000 0.814 308 Q CB 2.343 31.045 28.738 -0.059 0.000 1.425 308 Q HN 0.729 nan 8.270 nan 0.000 0.437 309 D N -1.121 119.341 120.400 0.104 0.000 2.692 309 D HA 0.223 4.863 4.640 0.000 0.000 0.290 309 D C -1.682 174.653 176.300 0.058 0.000 1.281 309 D CA -0.549 53.555 54.000 0.173 0.000 0.804 309 D CB 1.284 42.229 40.800 0.241 0.000 1.331 309 D HN 0.537 nan 8.370 nan 0.000 0.432 310 H N 0.818 119.973 119.070 0.141 0.000 2.724 310 H HA 0.366 4.923 4.556 0.000 0.000 0.278 310 H C -1.779 173.535 175.328 -0.022 0.000 1.159 310 H CA -1.631 54.417 56.048 0.001 0.000 1.254 310 H CB 1.017 30.773 29.762 -0.011 0.000 1.412 310 H HN 0.009 nan 8.280 nan 0.000 0.488 311 P HA 0.035 nan 4.420 nan 0.000 0.274 311 P C -0.359 176.937 177.300 -0.007 0.000 1.231 311 P CA -0.197 62.846 63.100 -0.095 0.000 0.790 311 P CB 1.602 33.095 31.700 -0.344 0.000 0.951 312 E N 0.624 120.816 120.200 -0.013 0.000 2.263 312 E HA 0.569 4.919 4.350 0.000 0.000 0.268 312 E C -0.692 175.966 176.600 0.097 0.000 0.884 312 E CA -0.830 55.589 56.400 0.032 0.000 0.766 312 E CB 1.384 31.047 29.700 -0.062 0.000 1.196 312 E HN 0.575 nan 8.360 nan 0.000 0.416 313 G N 1.471 110.338 108.800 0.112 0.000 2.601 313 G HA2 0.646 4.606 3.960 0.000 0.000 0.317 313 G HA3 0.646 4.606 3.960 0.000 0.000 0.317 313 G C -1.215 173.768 174.900 0.138 0.000 1.246 313 G CA -0.475 44.690 45.100 0.108 0.000 1.012 313 G HN 0.409 nan 8.290 nan 0.000 0.494 314 V N -1.046 118.968 119.914 0.167 0.000 3.007 314 V HA 0.735 4.855 4.120 0.000 0.000 0.311 314 V C -1.257 174.965 176.094 0.214 0.000 1.120 314 V CA -0.606 61.824 62.300 0.217 0.000 0.980 314 V CB 2.335 34.325 31.823 0.279 0.000 1.033 314 V HN 0.630 nan 8.190 nan 0.000 0.429 315 V N 5.498 125.510 119.914 0.164 0.000 2.482 315 V HA 0.537 4.657 4.120 0.000 0.000 0.295 315 V C -0.491 175.558 176.094 -0.074 0.000 1.026 315 V CA -0.493 61.816 62.300 0.015 0.000 0.856 315 V CB 1.477 33.357 31.823 0.094 0.000 1.001 315 V HN 0.953 nan 8.190 nan 0.000 0.424 316 Q N 3.448 123.075 119.800 -0.289 0.000 2.274 316 Q HA 0.729 5.069 4.340 0.000 0.000 0.260 316 Q C -1.638 173.970 176.000 -0.653 0.000 0.974 316 Q CA -0.393 55.242 55.803 -0.279 0.000 0.876 316 Q CB 2.714 31.384 28.738 -0.114 0.000 1.297 316 Q HN 0.665 nan 8.270 nan 0.000 0.446 317 F N 0.474 120.227 119.950 -0.328 0.000 2.551 317 F HA 0.272 4.799 4.527 0.000 0.000 0.316 317 F C 0.375 175.917 175.800 -0.430 0.000 1.089 317 F CA -0.976 56.740 58.000 -0.474 0.000 0.915 317 F CB 1.745 40.186 39.000 -0.931 0.000 1.186 317 F HN 0.287 nan 8.300 nan 0.000 0.456 318 E N 1.826 122.012 120.200 -0.024 0.000 2.360 318 E HA 0.379 4.729 4.350 0.000 0.000 0.269 318 E C -0.260 176.386 176.600 0.078 0.000 1.022 318 E CA -0.197 56.216 56.400 0.021 0.000 0.887 318 E CB 1.471 31.202 29.700 0.051 0.000 0.990 318 E HN 0.680 nan 8.360 nan 0.000 0.426 319 A N 3.357 126.280 122.820 0.172 0.000 2.304 319 A HA 0.162 4.482 4.320 0.000 0.000 0.271 319 A C 0.687 178.414 177.584 0.240 0.000 1.091 319 A CA -0.202 52.053 52.037 0.363 0.000 0.812 319 A CB 0.495 19.790 19.000 0.491 0.000 1.056 319 A HN 0.598 nan 8.150 nan 0.000 0.489 320 K N -0.172 120.362 120.400 0.224 0.000 2.358 320 K HA 0.134 4.454 4.320 0.000 0.000 0.197 320 K C -0.107 176.468 176.600 -0.042 0.000 1.025 320 K CA 0.454 56.774 56.287 0.054 0.000 1.104 320 K CB 0.435 32.931 32.500 -0.006 0.000 0.855 320 K HN 0.740 nan 8.250 nan 0.000 0.531 321 Q N 0.188 119.979 119.800 -0.013 0.000 2.456 321 Q HA 0.317 4.657 4.340 0.000 0.000 0.284 321 Q C -2.872 173.234 176.000 0.176 0.000 1.061 321 Q CA -2.442 53.308 55.803 -0.088 0.000 0.799 321 Q CB 2.144 30.558 28.738 -0.540 0.000 1.445 321 Q HN -0.171 nan 8.270 nan 0.000 0.411 322 P HA -0.020 nan 4.420 nan 0.000 0.263 322 P C -0.746 176.754 177.300 0.333 0.000 1.195 322 P CA 0.469 63.691 63.100 0.203 0.000 0.762 322 P CB 0.421 32.204 31.700 0.138 0.000 0.799 323 M N 2.622 122.407 119.600 0.307 0.000 2.228 323 M HA 0.110 4.590 4.480 0.000 0.000 0.326 323 M C 0.502 176.931 176.300 0.215 0.000 1.122 323 M CA -0.660 54.812 55.300 0.287 0.000 1.161 323 M CB 0.473 33.221 32.600 0.247 0.000 1.437 323 M HN 0.144 nan 8.290 nan 0.000 0.465 324 V N 0.654 120.669 119.914 0.169 0.000 2.814 324 V HA 0.159 4.279 4.120 0.000 0.000 0.307 324 V C 0.939 177.154 176.094 0.202 0.000 1.089 324 V CA 0.280 62.664 62.300 0.141 0.000 1.212 324 V CB -0.415 31.448 31.823 0.067 0.000 0.912 324 V HN 0.973 nan 8.190 nan 0.000 0.497 325 A N 2.816 125.744 122.820 0.180 0.000 2.220 325 A HA 0.322 4.642 4.320 0.000 0.000 0.211 325 A C 0.800 178.575 177.584 0.317 0.000 1.176 325 A CA 0.066 52.248 52.037 0.241 0.000 0.834 325 A CB -0.155 18.940 19.000 0.158 0.000 0.868 325 A HN 0.956 nan 8.150 nan 0.000 0.488 326 E N -0.954 119.325 120.200 0.131 0.000 2.336 326 E HA 0.636 4.986 4.350 0.000 0.000 0.267 326 E C -1.110 175.252 176.600 -0.396 0.000 0.906 326 E CA -0.630 55.741 56.400 -0.049 0.000 0.781 326 E CB 1.866 31.556 29.700 -0.016 0.000 1.261 326 E HN 0.088 nan 8.360 nan 0.000 0.436 327 S N -0.722 114.545 115.700 -0.721 0.000 2.636 327 S HA 0.229 4.699 4.470 0.000 0.000 0.268 327 S C 0.509 174.778 174.600 -0.553 0.000 1.159 327 S CA 0.152 57.891 58.200 -0.767 0.000 0.815 327 S CB 1.116 63.547 63.200 -1.282 0.000 1.130 327 S HN 0.653 nan 8.310 nan 0.000 0.471 328 T N 0.156 114.507 114.554 -0.339 0.000 2.770 328 T HA 0.056 4.406 4.350 0.000 0.000 0.258 328 T C 0.820 175.448 174.700 -0.121 0.000 1.039 328 T CA 1.689 63.692 62.100 -0.163 0.000 1.143 328 T CB -0.407 68.434 68.868 -0.045 0.000 0.866 328 T HN 0.767 nan 8.240 nan 0.000 0.428 329 Q N -1.671 118.069 119.800 -0.100 0.000 1.906 329 Q HA 0.338 4.678 4.340 0.000 0.000 0.199 329 Q C -0.078 176.254 176.000 0.553 0.000 0.816 329 Q CA -0.791 55.164 55.803 0.253 0.000 0.951 329 Q CB -1.278 27.670 28.738 0.351 0.000 1.246 329 Q HN 0.594 nan 8.270 nan 0.000 0.407 330 W N -1.903 119.575 121.300 0.298 0.000 1.839 330 W HA -0.236 4.424 4.660 0.000 0.000 0.248 330 W C -0.665 175.683 176.519 -0.284 0.000 0.999 330 W CA 0.899 58.264 57.345 0.033 0.000 0.444 330 W CB -1.750 27.739 29.460 0.049 0.000 2.008 330 W HN 0.449 nan 8.180 nan 0.000 1.324 331 W N 1.021 122.514 121.300 0.321 0.000 1.809 331 W HA 0.462 5.122 4.660 0.000 0.000 0.298 331 W C 0.959 177.705 176.519 0.380 0.000 0.905 331 W CA -0.603 56.911 57.345 0.281 0.000 1.872 331 W CB -0.356 29.292 29.460 0.313 0.000 2.092 331 W HN -0.127 nan 8.180 nan 0.000 0.403 332 E N 0.579 121.001 120.200 0.371 0.000 2.371 332 E HA 0.090 4.440 4.350 0.000 0.000 0.194 332 E C 0.498 177.124 176.600 0.044 0.000 1.012 332 E CA 0.621 57.255 56.400 0.389 0.000 0.860 332 E CB 0.837 30.779 29.700 0.404 0.000 0.811 332 E HN 0.297 nan 8.360 nan 0.000 0.502 333 I N 0.458 120.935 120.570 -0.156 0.000 2.530 333 I HA 0.376 4.546 4.170 0.000 0.000 0.297 333 I C 0.174 175.854 176.117 -0.728 0.000 1.011 333 I CA -0.843 60.072 61.300 -0.641 0.000 1.107 333 I CB 2.128 39.844 38.000 -0.472 0.000 1.285 333 I HN -0.132 nan 8.210 nan 0.000 0.436 334 G N 5.794 113.985 108.800 -1.014 0.000 2.481 334 G HA2 0.823 4.783 3.960 0.000 0.000 0.315 334 G HA3 0.823 4.783 3.960 0.000 0.000 0.315 334 G C -1.150 173.537 174.900 -0.354 0.000 1.231 334 G CA -0.477 44.343 45.100 -0.468 0.000 0.968 334 G HN 0.447 nan 8.290 nan 0.000 0.482 335 I N 0.370 120.680 120.570 -0.433 0.000 2.498 335 I HA 0.428 4.598 4.170 0.000 0.000 0.290 335 I C -1.204 174.676 176.117 -0.396 0.000 1.032 335 I CA -0.548 60.586 61.300 -0.276 0.000 1.073 335 I CB 2.272 40.181 38.000 -0.152 0.000 1.251 335 I HN 0.287 nan 8.210 nan 0.000 0.426 336 F N 3.204 123.195 119.950 0.069 0.000 2.482 336 F HA 0.616 5.143 4.527 0.000 0.000 0.331 336 F C 0.272 176.095 175.800 0.040 0.000 1.115 336 F CA -0.632 57.394 58.000 0.044 0.000 0.955 336 F CB 2.349 41.384 39.000 0.058 0.000 1.136 336 F HN 0.239 nan 8.300 nan 0.000 0.452 337 T N 4.598 119.296 114.554 0.240 0.000 3.105 337 T HA 0.386 4.736 4.350 0.000 0.000 0.321 337 T C -3.018 171.754 174.700 0.121 0.000 1.135 337 T CA -1.588 60.599 62.100 0.145 0.000 1.053 337 T CB 1.857 70.782 68.868 0.094 0.000 1.133 337 T HN 0.200 nan 8.240 nan 0.000 0.463 338 P HA 0.308 nan 4.420 nan 0.000 0.282 338 P C 0.417 177.757 177.300 0.067 0.000 1.249 338 P CA -0.260 62.888 63.100 0.080 0.000 0.806 338 P CB 1.000 32.738 31.700 0.063 0.000 0.984 339 T N -2.298 112.294 114.554 0.064 0.000 3.044 339 T HA 0.297 4.647 4.350 0.000 0.000 0.260 339 T C 0.184 174.912 174.700 0.047 0.000 1.019 339 T CA -0.001 62.130 62.100 0.051 0.000 0.921 339 T CB -0.055 68.838 68.868 0.042 0.000 1.053 339 T HN 0.405 nan 8.240 nan 0.000 0.533 340 E N 0.823 121.054 120.200 0.053 0.000 2.390 340 E HA 0.381 4.731 4.350 0.000 0.000 0.277 340 E C -1.522 175.103 176.600 0.042 0.000 0.939 340 E CA -1.045 55.383 56.400 0.048 0.000 0.769 340 E CB 1.604 31.339 29.700 0.058 0.000 1.251 340 E HN 0.091 nan 8.360 nan 0.000 0.450 341 D N 0.134 120.554 120.400 0.033 0.000 2.419 341 D HA 0.195 4.835 4.640 0.000 0.000 0.236 341 D C 0.842 177.157 176.300 0.024 0.000 1.165 341 D CA 1.465 55.481 54.000 0.027 0.000 0.882 341 D CB 0.517 41.330 40.800 0.021 0.000 1.201 341 D HN 0.712 nan 8.370 nan 0.000 0.443 342 G N 0.816 109.627 108.800 0.018 0.000 2.323 342 G HA2 -0.256 3.704 3.960 0.000 0.000 0.292 342 G HA3 -0.256 3.704 3.960 0.000 0.000 0.292 342 G C 0.032 174.938 174.900 0.011 0.000 1.040 342 G CA 0.023 45.130 45.100 0.012 0.000 0.942 342 G HN 0.363 nan 8.290 nan 0.000 0.506 343 L N -0.218 121.014 121.223 0.015 0.000 2.379 343 L HA 0.452 4.792 4.340 0.000 0.000 0.269 343 L C 1.269 178.139 176.870 -0.001 0.000 1.084 343 L CA -0.364 54.482 54.840 0.010 0.000 0.802 343 L CB 1.113 43.188 42.059 0.027 0.000 1.175 343 L HN 0.335 nan 8.230 nan 0.000 0.448 344 D N 0.311 120.702 120.400 -0.014 0.000 2.369 344 D HA 0.059 4.699 4.640 0.000 0.000 0.211 344 D C 0.308 176.593 176.300 -0.026 0.000 1.077 344 D CA 0.027 54.015 54.000 -0.020 0.000 0.842 344 D CB 0.463 41.248 40.800 -0.027 0.000 0.947 344 D HN 0.295 nan 8.370 nan 0.000 0.509 345 R N 0.389 120.877 120.500 -0.021 0.000 2.584 345 R HA 0.411 4.751 4.340 0.000 0.000 0.276 345 R C -2.772 173.540 176.300 0.020 0.000 1.046 345 R CA -1.669 54.420 56.100 -0.018 0.000 0.906 345 R CB 2.754 33.054 30.300 0.000 0.000 1.215 345 R HN -0.040 nan 8.270 nan 0.000 0.449 346 P HA 0.036 nan 4.420 nan 0.000 0.272 346 P C -0.651 176.737 177.300 0.146 0.000 1.223 346 P CA -0.020 63.131 63.100 0.085 0.000 0.784 346 P CB 0.895 32.667 31.700 0.119 0.000 0.923 347 D N 0.787 121.282 120.400 0.157 0.000 2.369 347 D HA 0.125 4.765 4.640 0.000 0.000 0.211 347 D C 0.204 176.601 176.300 0.162 0.000 1.077 347 D CA 0.087 54.209 54.000 0.203 0.000 0.842 347 D CB -0.170 40.755 40.800 0.207 0.000 0.947 347 D HN 0.183 nan 8.370 nan 0.000 0.509 348 L N 0.139 121.448 121.223 0.143 0.000 2.436 348 L HA 0.586 4.926 4.340 0.000 0.000 0.268 348 L C -1.581 175.371 176.870 0.136 0.000 0.974 348 L CA -0.709 54.199 54.840 0.113 0.000 0.826 348 L CB 2.386 44.497 42.059 0.088 0.000 1.291 348 L HN -0.010 nan 8.230 nan 0.000 0.406 349 M N 4.882 124.525 119.600 0.072 0.000 2.591 349 M HA 0.680 5.160 4.480 0.000 0.000 0.306 349 M C -1.775 174.489 176.300 -0.059 0.000 1.190 349 M CA -0.568 54.706 55.300 -0.042 0.000 0.889 349 M CB 2.295 34.845 32.600 -0.082 0.000 1.728 349 M HN 0.797 nan 8.290 nan 0.000 0.458 350 M N 1.823 121.341 119.600 -0.136 0.000 2.457 350 M HA 0.414 4.894 4.480 0.000 0.000 0.300 350 M C -1.572 174.695 176.300 -0.055 0.000 1.141 350 M CA -0.566 54.735 55.300 0.002 0.000 0.901 350 M CB 2.523 35.155 32.600 0.053 0.000 1.687 350 M HN 0.688 nan 8.290 nan 0.000 0.449 351 H N 0.141 119.314 119.070 0.172 0.000 2.496 351 H HA 0.477 5.033 4.556 0.000 0.000 0.342 351 H C -1.620 173.943 175.328 0.392 0.000 1.170 351 H CA -0.136 56.104 56.048 0.319 0.000 1.274 351 H CB 1.215 31.216 29.762 0.399 0.000 1.538 351 H HN 0.553 nan 8.280 nan 0.000 0.542 352 Y N 0.525 121.035 120.300 0.350 0.000 2.364 352 Y HA 0.591 5.141 4.550 0.000 0.000 0.340 352 Y C -0.505 175.434 175.900 0.064 0.000 0.975 352 Y CA -1.038 57.165 58.100 0.171 0.000 1.089 352 Y CB 1.334 39.763 38.460 -0.052 0.000 1.192 352 Y HN 0.725 nan 8.280 nan 0.000 0.454 353 G N 2.238 110.450 108.800 -0.981 0.000 2.530 353 G HA2 0.360 4.320 3.960 0.000 0.000 0.316 353 G HA3 0.360 4.320 3.960 0.000 0.000 0.316 353 G C -0.268 173.938 174.900 -1.155 0.000 1.298 353 G CA -0.579 43.574 45.100 -1.578 0.000 0.948 353 G HN 0.920 nan 8.290 nan 0.000 0.486 354 S N 0.068 115.260 115.700 -0.847 0.000 2.881 354 S HA 0.236 4.706 4.470 0.000 0.000 0.228 354 S C 0.670 175.227 174.600 -0.072 0.000 0.965 354 S CA 0.326 58.338 58.200 -0.313 0.000 0.998 354 S CB -1.021 62.131 63.200 -0.081 0.000 0.795 354 S HN 1.360 nan 8.310 nan 0.000 0.518 355 V N -4.598 115.200 119.914 -0.193 0.000 3.181 355 V HA 0.761 4.881 4.120 0.000 0.000 0.308 355 V C -3.246 172.834 176.094 -0.024 0.000 1.214 355 V CA -2.971 59.274 62.300 -0.092 0.000 1.053 355 V CB 1.253 32.983 31.823 -0.156 0.000 1.069 355 V HN -0.030 nan 8.190 nan 0.000 0.441 356 P HA 0.480 nan 4.420 nan 0.000 0.277 356 P C -1.258 176.179 177.300 0.228 0.000 1.271 356 P CA -0.083 63.070 63.100 0.089 0.000 0.795 356 P CB 0.358 32.079 31.700 0.036 0.000 1.101 357 F N 1.279 121.276 119.950 0.077 0.000 3.065 357 F HA 0.204 4.731 4.527 0.000 0.000 0.383 357 F C -0.298 175.551 175.800 0.083 0.000 1.259 357 F CA -0.548 57.538 58.000 0.144 0.000 1.217 357 F CB 0.311 39.511 39.000 0.333 0.000 2.042 357 F HN 0.147 nan 8.300 nan 0.000 0.641 358 D N 2.801 123.093 120.400 -0.179 0.000 2.368 358 D HA -0.014 4.627 4.640 0.000 0.000 0.218 358 D C 1.973 178.137 176.300 -0.226 0.000 1.112 358 D CA 0.037 53.955 54.000 -0.137 0.000 0.834 358 D CB -0.104 40.657 40.800 -0.064 0.000 0.953 358 D HN 0.593 nan 8.370 nan 0.000 0.505 359 M N 0.472 119.813 119.600 -0.432 0.000 2.143 359 M HA -0.197 4.283 4.480 0.000 0.000 0.258 359 M C 0.368 176.528 176.300 -0.234 0.000 1.071 359 M CA 1.559 56.637 55.300 -0.370 0.000 1.088 359 M CB 0.027 32.299 32.600 -0.547 0.000 1.360 359 M HN -0.052 nan 8.290 nan 0.000 0.404 360 N N -1.131 117.456 118.700 -0.189 0.000 2.184 360 N HA 0.064 4.804 4.740 0.000 0.000 0.206 360 N C 1.230 176.726 175.510 -0.022 0.000 1.151 360 N CA 1.135 54.118 53.050 -0.111 0.000 0.878 360 N CB 0.554 38.984 38.487 -0.095 0.000 1.014 360 N HN 0.550 nan 8.380 nan 0.000 0.512 361 T N -1.565 112.984 114.554 -0.010 0.000 3.034 361 T HA 0.063 4.413 4.350 0.000 0.000 0.248 361 T C 1.883 176.693 174.700 0.184 0.000 1.040 361 T CA -0.035 62.149 62.100 0.140 0.000 1.107 361 T CB -0.170 68.721 68.868 0.038 0.000 0.932 361 T HN -0.089 nan 8.240 nan 0.000 0.474 362 L N 3.061 124.292 121.223 0.014 0.000 2.012 362 L HA 0.026 4.367 4.340 0.000 0.000 0.210 362 L C 2.663 179.474 176.870 -0.097 0.000 1.073 362 L CA 2.008 56.833 54.840 -0.025 0.000 0.748 362 L CB -0.879 41.134 42.059 -0.076 0.000 0.891 362 L HN 0.462 nan 8.230 nan 0.000 0.431 363 R N -1.878 118.477 120.500 -0.241 0.000 2.293 363 R HA -0.148 4.192 4.340 0.000 0.000 0.219 363 R C 0.964 176.964 176.300 -0.500 0.000 1.091 363 R CA 1.718 57.561 56.100 -0.428 0.000 1.004 363 R CB -0.771 29.125 30.300 -0.673 0.000 0.865 363 R HN 0.540 nan 8.270 nan 0.000 0.469 364 H N -0.786 118.258 119.070 -0.043 0.000 2.594 364 H HA 0.270 4.826 4.556 0.000 0.000 0.279 364 H C 0.734 175.964 175.328 -0.164 0.000 1.042 364 H CA 0.254 56.285 56.048 -0.028 0.000 1.177 364 H CB 1.402 31.249 29.762 0.142 0.000 1.524 364 H HN 0.518 nan 8.280 nan 0.000 0.537 365 G N 0.212 108.982 108.800 -0.049 0.000 2.141 365 G HA2 -0.311 3.649 3.960 0.000 0.000 0.242 365 G HA3 -0.311 3.649 3.960 0.000 0.000 0.242 365 G C -0.433 174.362 174.900 -0.176 0.000 0.982 365 G CA -0.449 44.577 45.100 -0.123 0.000 0.662 365 G HN 0.357 nan 8.290 nan 0.000 0.527 366 Y N 1.992 122.307 120.300 0.025 0.000 2.465 366 Y HA 0.375 4.925 4.550 0.000 0.000 0.331 366 Y C -0.811 175.080 175.900 -0.014 0.000 1.102 366 Y CA -1.253 56.855 58.100 0.013 0.000 1.358 366 Y CB 0.456 38.943 38.460 0.045 0.000 1.213 366 Y HN 0.084 nan 8.280 nan 0.000 0.525 367 P HA 0.054 nan 4.420 nan 0.000 0.270 367 P C -0.451 176.877 177.300 0.047 0.000 1.227 367 P CA -0.091 63.037 63.100 0.047 0.000 0.788 367 P CB 0.958 32.674 31.700 0.028 0.000 0.926 368 T N -2.640 111.925 114.554 0.018 0.000 2.864 368 T HA 0.674 5.024 4.350 0.000 0.000 0.289 368 T C -0.483 174.218 174.700 0.002 0.000 1.082 368 T CA -0.724 61.381 62.100 0.007 0.000 1.009 368 T CB 1.750 70.616 68.868 -0.003 0.000 1.234 368 T HN 0.577 nan 8.240 nan 0.000 0.526 369 T N -1.242 113.312 114.554 -0.000 0.000 2.841 369 T HA 0.480 4.830 4.350 0.000 0.000 0.296 369 T C -0.671 174.031 174.700 0.003 0.000 1.166 369 T CA -0.533 61.571 62.100 0.006 0.000 1.007 369 T CB 2.099 70.975 68.868 0.015 0.000 1.253 369 T HN 0.737 nan 8.240 nan 0.000 0.511 370 E N 0.697 120.902 120.200 0.009 0.000 2.538 370 E HA 0.250 4.600 4.350 0.000 0.000 0.207 370 E C -0.555 176.063 176.600 0.030 0.000 1.002 370 E CA -0.074 56.329 56.400 0.005 0.000 0.952 370 E CB 0.386 30.085 29.700 -0.002 0.000 1.031 370 E HN 0.401 nan 8.360 nan 0.000 0.476 371 N N 0.148 118.879 118.700 0.052 0.000 2.609 371 N HA 0.394 5.134 4.740 0.000 0.000 0.268 371 N C -0.907 174.675 175.510 0.120 0.000 1.106 371 N CA -0.197 52.911 53.050 0.097 0.000 0.823 371 N CB 1.336 39.888 38.487 0.107 0.000 1.263 371 N HN 0.125 nan 8.380 nan 0.000 0.533 372 G N 0.773 109.655 108.800 0.137 0.000 2.489 372 G HA2 0.523 4.483 3.960 0.000 0.000 0.305 372 G HA3 0.523 4.483 3.960 0.000 0.000 0.305 372 G C -1.856 173.162 174.900 0.197 0.000 1.311 372 G CA -0.695 44.475 45.100 0.118 0.000 0.813 372 G HN 0.364 nan 8.290 nan 0.000 0.480 373 F N -1.537 118.509 119.950 0.160 0.000 2.685 373 F HA 0.901 5.428 4.527 0.000 0.000 0.315 373 F C -0.481 175.426 175.800 0.178 0.000 1.126 373 F CA -1.426 56.633 58.000 0.100 0.000 0.950 373 F CB 1.681 40.792 39.000 0.184 0.000 1.360 373 F HN 0.478 nan 8.300 nan 0.000 0.469 374 S N 1.460 117.351 115.700 0.320 0.000 2.521 374 S HA 0.732 5.202 4.470 0.000 0.000 0.295 374 S C -1.151 173.707 174.600 0.430 0.000 1.098 374 S CA -0.692 57.697 58.200 0.314 0.000 0.999 374 S CB 1.633 64.993 63.200 0.267 0.000 1.034 374 S HN 0.624 nan 8.310 nan 0.000 0.483 375 L N 3.042 124.532 121.223 0.446 0.000 2.298 375 L HA 0.514 4.854 4.340 0.000 0.000 0.284 375 L C -0.008 177.058 176.870 0.328 0.000 1.013 375 L CA -0.517 54.569 54.840 0.411 0.000 0.824 375 L CB 1.568 43.872 42.059 0.407 0.000 1.221 375 L HN 0.746 nan 8.230 nan 0.000 0.418 376 T N 0.510 115.263 114.554 0.332 0.000 3.053 376 T HA 0.413 4.763 4.350 0.000 0.000 0.363 376 T C -2.563 172.255 174.700 0.197 0.000 1.239 376 T CA -2.157 60.088 62.100 0.241 0.000 1.071 376 T CB 0.796 69.769 68.868 0.174 0.000 1.089 376 T HN 0.184 nan 8.240 nan 0.000 0.527 377 P HA 0.233 nan 4.420 nan 0.000 0.271 377 P C -0.768 176.598 177.300 0.109 0.000 1.216 377 P CA -0.248 62.925 63.100 0.123 0.000 0.771 377 P CB 0.602 32.370 31.700 0.114 0.000 0.864 378 N N 0.625 119.377 118.700 0.088 0.000 2.265 378 N HA 0.401 5.142 4.740 0.000 0.000 0.300 378 N C -1.278 174.272 175.510 0.068 0.000 1.148 378 N CA -1.079 52.016 53.050 0.074 0.000 0.772 378 N CB 1.253 39.769 38.487 0.049 0.000 1.434 378 N HN -0.047 nan 8.380 nan 0.000 0.481 379 V N 1.430 121.407 119.914 0.104 0.000 2.389 379 V HA 0.174 4.294 4.120 0.000 0.000 0.264 379 V C 1.560 177.745 176.094 0.152 0.000 1.049 379 V CA -0.092 62.289 62.300 0.134 0.000 0.932 379 V CB 0.192 32.116 31.823 0.169 0.000 1.011 379 V HN 1.048 nan 8.190 nan 0.000 0.475 380 T N 0.878 115.492 114.554 0.101 0.000 2.985 380 T HA -0.062 4.288 4.350 0.000 0.000 0.266 380 T C 0.636 175.298 174.700 -0.062 0.000 1.076 380 T CA 0.901 62.968 62.100 -0.055 0.000 1.135 380 T CB -0.212 68.636 68.868 -0.033 0.000 0.890 380 T HN 0.699 nan 8.240 nan 0.000 0.480 381 H N 1.060 120.269 119.070 0.230 0.000 2.448 381 H HA 0.703 5.259 4.556 0.000 0.000 0.237 381 H C -0.144 175.308 175.328 0.207 0.000 1.391 381 H CA -0.442 55.730 56.048 0.207 0.000 1.477 381 H CB 0.425 30.283 29.762 0.160 0.000 1.520 381 H HN 0.509 nan 8.280 nan 0.000 0.502 382 A N 1.298 124.267 122.820 0.248 0.000 2.407 382 A HA 0.268 4.588 4.320 0.000 0.000 0.248 382 A C 1.057 178.726 177.584 0.141 0.000 1.082 382 A CA -0.384 51.786 52.037 0.222 0.000 0.785 382 A CB 0.558 19.636 19.000 0.130 0.000 1.020 382 A HN 0.829 nan 8.150 nan 0.000 0.489 383 R N 0.885 121.463 120.500 0.130 0.000 2.282 383 R HA 0.109 4.449 4.340 0.000 0.000 0.195 383 R C 0.356 176.676 176.300 0.032 0.000 0.909 383 R CA 0.183 56.310 56.100 0.045 0.000 1.039 383 R CB 0.188 30.481 30.300 -0.012 0.000 1.015 383 R HN 0.680 nan 8.270 nan 0.000 0.513 384 S N 1.179 116.897 115.700 0.030 0.000 2.558 384 S HA 0.112 4.582 4.470 0.000 0.000 0.288 384 S C 0.059 174.622 174.600 -0.062 0.000 1.318 384 S CA 0.372 58.555 58.200 -0.028 0.000 1.056 384 S CB 0.583 63.733 63.200 -0.084 0.000 0.853 384 S HN 0.198 nan 8.310 nan 0.000 0.505 385 R N 0.400 120.854 120.500 -0.077 0.000 2.604 385 R HA 0.576 4.916 4.340 0.000 0.000 0.281 385 R C 0.185 176.409 176.300 -0.126 0.000 1.020 385 R CA -0.476 55.571 56.100 -0.088 0.000 0.899 385 R CB 2.058 32.338 30.300 -0.034 0.000 1.205 385 R HN 0.739 nan 8.270 nan 0.000 0.450 386 G N 0.019 108.720 108.800 -0.165 0.000 3.209 386 G HA2 0.594 4.554 3.960 0.000 0.000 0.236 386 G HA3 0.594 4.554 3.960 0.000 0.000 0.236 386 G C -0.813 173.973 174.900 -0.190 0.000 1.329 386 G CA -0.396 44.592 45.100 -0.186 0.000 1.015 386 G HN 0.508 nan 8.290 nan 0.000 0.571 387 T N -3.254 111.184 114.554 -0.193 0.000 2.916 387 T HA 0.678 5.028 4.350 0.000 0.000 0.292 387 T C -1.252 173.326 174.700 -0.204 0.000 1.055 387 T CA -0.706 61.270 62.100 -0.206 0.000 1.009 387 T CB 1.918 70.663 68.868 -0.204 0.000 1.118 387 T HN 0.600 nan 8.240 nan 0.000 0.497 388 V N 1.844 121.631 119.914 -0.212 0.000 2.483 388 V HA 0.674 4.794 4.120 0.000 0.000 0.297 388 V C -0.171 175.818 176.094 -0.175 0.000 1.027 388 V CA -0.751 61.428 62.300 -0.201 0.000 0.855 388 V CB 1.570 33.261 31.823 -0.220 0.000 0.995 388 V HN 0.902 nan 8.190 nan 0.000 0.424 389 R N 3.354 123.773 120.500 -0.135 0.000 2.808 389 R HA 0.663 5.003 4.340 0.000 0.000 0.272 389 R C -1.280 175.051 176.300 0.051 0.000 0.995 389 R CA -0.980 55.089 56.100 -0.052 0.000 0.917 389 R CB 2.309 32.494 30.300 -0.193 0.000 1.217 389 R HN 0.535 nan 8.270 nan 0.000 0.471 390 L N 2.329 123.692 121.223 0.232 0.000 2.367 390 L HA 0.250 4.590 4.340 0.000 0.000 0.275 390 L C 1.695 178.487 176.870 -0.129 0.000 1.129 390 L CA 0.184 54.980 54.840 -0.075 0.000 0.839 390 L CB 0.856 42.710 42.059 -0.341 0.000 1.133 390 L HN 0.610 nan 8.230 nan 0.000 0.453 391 R N 1.391 121.798 120.500 -0.155 0.000 2.093 391 R HA -0.026 4.314 4.340 0.000 0.000 0.224 391 R C 0.554 176.740 176.300 -0.190 0.000 1.101 391 R CA 1.032 57.077 56.100 -0.090 0.000 0.979 391 R CB 0.396 30.669 30.300 -0.045 0.000 0.877 391 R HN 0.868 nan 8.270 nan 0.000 0.441 392 S N -1.843 113.635 115.700 -0.370 0.000 2.727 392 S HA 0.156 4.626 4.470 0.000 0.000 0.278 392 S C 0.075 174.457 174.600 -0.364 0.000 1.186 392 S CA -1.010 56.995 58.200 -0.324 0.000 0.836 392 S CB 0.978 64.121 63.200 -0.095 0.000 1.186 392 S HN 0.329 nan 8.310 nan 0.000 0.499 393 R N -0.077 120.333 120.500 -0.150 0.000 2.313 393 R HA 0.192 4.532 4.340 0.000 0.000 0.199 393 R C -0.515 175.768 176.300 -0.029 0.000 0.958 393 R CA 0.180 56.237 56.100 -0.073 0.000 1.047 393 R CB -0.441 29.861 30.300 0.004 0.000 0.955 393 R HN 0.523 nan 8.270 nan 0.000 0.481 394 D N 1.623 121.987 120.400 -0.061 0.000 2.428 394 D HA -0.022 4.618 4.640 0.000 0.000 0.221 394 D C 0.872 177.104 176.300 -0.112 0.000 1.123 394 D CA -0.957 52.995 54.000 -0.079 0.000 0.869 394 D CB 0.458 41.185 40.800 -0.123 0.000 1.032 394 D HN 0.253 nan 8.370 nan 0.000 0.506 395 F N 3.406 123.323 119.950 -0.055 0.000 2.323 395 F HA -0.175 4.352 4.527 0.000 0.000 0.301 395 F C 1.411 177.191 175.800 -0.033 0.000 1.060 395 F CA 0.915 58.885 58.000 -0.050 0.000 1.398 395 F CB -0.258 38.718 39.000 -0.040 0.000 1.075 395 F HN 0.206 nan 8.300 nan 0.000 0.540 396 R N 0.240 120.249 120.500 -0.819 0.000 2.240 396 R HA 0.034 4.374 4.340 0.000 0.000 0.203 396 R C -0.086 176.094 176.300 -0.199 0.000 1.011 396 R CA 0.373 56.130 56.100 -0.572 0.000 1.007 396 R CB -0.335 29.508 30.300 -0.762 0.000 0.911 396 R HN 0.234 nan 8.270 nan 0.000 0.468 397 D N 2.017 122.322 120.400 -0.158 0.000 2.390 397 D HA 0.042 4.682 4.640 0.000 0.000 0.249 397 D C -0.293 176.005 176.300 -0.005 0.000 1.144 397 D CA 0.265 54.228 54.000 -0.062 0.000 0.880 397 D CB 0.867 41.625 40.800 -0.070 0.000 1.182 397 D HN -0.093 nan 8.370 nan 0.000 0.451 398 K N 3.956 124.393 120.400 0.062 0.000 2.447 398 K HA 0.101 4.421 4.320 0.000 0.000 0.281 398 K C -1.975 174.632 176.600 0.012 0.000 1.031 398 K CA -1.019 55.346 56.287 0.130 0.000 1.019 398 K CB 0.364 33.010 32.500 0.243 0.000 0.918 398 K HN 0.280 nan 8.250 nan 0.000 0.476 399 P HA -0.072 nan 4.420 nan 0.000 0.271 399 P C -0.637 176.598 177.300 -0.108 0.000 1.233 399 P CA 0.205 63.218 63.100 -0.144 0.000 0.789 399 P CB 0.551 32.092 31.700 -0.265 0.000 0.951 400 M N 0.964 120.514 119.600 -0.083 0.000 2.063 400 M HA 0.245 4.725 4.480 0.000 0.000 0.348 400 M C -0.517 175.726 176.300 -0.095 0.000 1.180 400 M CA -0.590 54.676 55.300 -0.056 0.000 1.059 400 M CB 0.883 33.468 32.600 -0.024 0.000 1.544 400 M HN -0.008 nan 8.290 nan 0.000 0.447 401 V N 2.542 122.408 119.914 -0.081 0.000 2.350 401 V HA 0.273 4.393 4.120 0.000 0.000 0.276 401 V C -0.508 175.550 176.094 -0.059 0.000 1.028 401 V CA -0.450 61.783 62.300 -0.111 0.000 0.860 401 V CB 1.312 33.063 31.823 -0.121 0.000 0.990 401 V HN 0.677 nan 8.190 nan 0.000 0.453 402 D N 6.994 127.332 120.400 -0.102 0.000 2.420 402 D HA 0.424 5.064 4.640 0.000 0.000 0.255 402 D C -2.148 174.048 176.300 -0.173 0.000 1.185 402 D CA -2.001 51.943 54.000 -0.093 0.000 0.904 402 D CB 2.570 43.320 40.800 -0.083 0.000 1.102 402 D HN 0.194 nan 8.370 nan 0.000 0.534 403 P HA 0.072 nan 4.420 nan 0.000 0.240 403 P C -0.429 176.570 177.300 -0.502 0.000 1.190 403 P CA 0.081 62.901 63.100 -0.468 0.000 0.781 403 P CB 0.170 31.375 31.700 -0.826 0.000 0.931 404 R N -1.840 118.459 120.500 -0.336 0.000 3.188 404 R HA -0.207 4.133 4.340 0.000 0.000 0.247 404 R C -0.715 175.447 176.300 -0.229 0.000 0.918 404 R CA 0.150 56.138 56.100 -0.187 0.000 0.629 404 R CB -3.225 27.004 30.300 -0.118 0.000 1.087 404 R HN 0.313 nan 8.270 nan 0.000 0.462 405 Y N 0.990 121.238 120.300 -0.086 0.000 2.811 405 Y HA -0.125 4.425 4.550 0.000 0.000 0.334 405 Y C 1.363 177.165 175.900 -0.163 0.000 1.247 405 Y CA 0.704 58.615 58.100 -0.314 0.000 1.526 405 Y CB 0.123 38.352 38.460 -0.385 0.000 1.284 405 Y HN 0.239 nan 8.280 nan 0.000 0.586 406 F N 0.487 120.514 119.950 0.129 0.000 3.027 406 F HA -0.285 4.242 4.527 0.000 0.000 0.276 406 F C 1.056 176.896 175.800 0.067 0.000 0.967 406 F CA 1.092 59.139 58.000 0.077 0.000 0.929 406 F CB -2.266 36.760 39.000 0.043 0.000 0.873 406 F HN 0.619 nan 8.300 nan 0.000 0.787 407 T N -4.097 110.544 114.554 0.144 0.000 3.044 407 T HA 0.090 4.440 4.350 0.000 0.000 0.260 407 T C 0.427 175.176 174.700 0.083 0.000 1.019 407 T CA 0.107 62.268 62.100 0.102 0.000 0.921 407 T CB 0.065 68.961 68.868 0.047 0.000 1.053 407 T HN 0.508 nan 8.240 nan 0.000 0.533 408 D N 2.561 123.019 120.400 0.097 0.000 2.443 408 D HA 0.047 4.687 4.640 0.000 0.000 0.239 408 D C -1.848 174.506 176.300 0.090 0.000 1.136 408 D CA -1.136 52.915 54.000 0.086 0.000 0.879 408 D CB 1.549 42.411 40.800 0.104 0.000 1.195 408 D HN 0.066 nan 8.370 nan 0.000 0.443 409 P HA -0.071 nan 4.420 nan 0.000 0.218 409 P C 0.879 178.219 177.300 0.068 0.000 1.152 409 P CA 0.891 64.027 63.100 0.059 0.000 0.826 409 P CB 0.206 31.931 31.700 0.042 0.000 0.790 410 E N -0.825 119.421 120.200 0.076 0.000 2.516 410 E HA 0.098 4.448 4.350 0.000 0.000 0.199 410 E C 1.073 177.741 176.600 0.114 0.000 1.069 410 E CA 0.393 56.845 56.400 0.086 0.000 0.876 410 E CB -0.671 29.078 29.700 0.082 0.000 0.843 410 E HN 0.182 nan 8.360 nan 0.000 0.530 411 G N 1.526 110.404 108.800 0.129 0.000 2.225 411 G HA2 -0.398 3.562 3.960 0.000 0.000 0.267 411 G HA3 -0.398 3.562 3.960 0.000 0.000 0.267 411 G C 0.473 175.474 174.900 0.168 0.000 1.024 411 G CA 1.062 46.245 45.100 0.139 0.000 0.784 411 G HN 0.574 nan 8.290 nan 0.000 0.507 412 H N 0.426 119.558 119.070 0.103 0.000 2.267 412 H HA -0.093 4.463 4.556 0.000 0.000 0.297 412 H C 2.277 177.693 175.328 0.145 0.000 1.080 412 H CA 2.391 58.504 56.048 0.108 0.000 1.278 412 H CB 0.085 29.907 29.762 0.099 0.000 1.365 412 H HN 0.383 nan 8.280 nan 0.000 0.489 413 D N 0.041 120.587 120.400 0.242 0.000 2.144 413 D HA -0.166 4.474 4.640 0.000 0.000 0.199 413 D C 2.238 178.730 176.300 0.320 0.000 0.984 413 D CA 1.291 55.449 54.000 0.263 0.000 0.834 413 D CB -0.437 40.559 40.800 0.327 0.000 0.955 413 D HN 0.415 nan 8.370 nan 0.000 0.465 414 M N 0.771 120.538 119.600 0.278 0.000 2.099 414 M HA -0.082 4.398 4.480 0.000 0.000 0.262 414 M C 2.107 178.391 176.300 -0.027 0.000 1.067 414 M CA 1.402 56.698 55.300 -0.007 0.000 1.124 414 M CB -0.153 32.402 32.600 -0.075 0.000 1.353 414 M HN -0.196 nan 8.290 nan 0.000 0.410 415 R N -0.839 119.657 120.500 -0.006 0.000 2.083 415 R HA -0.140 4.200 4.340 0.000 0.000 0.237 415 R C 1.947 178.216 176.300 -0.052 0.000 1.137 415 R CA 2.000 58.083 56.100 -0.027 0.000 0.951 415 R CB -0.588 29.704 30.300 -0.014 0.000 0.851 415 R HN 0.344 nan 8.270 nan 0.000 0.434 416 V N 0.855 120.699 119.914 -0.117 0.000 2.332 416 V HA -0.289 3.831 4.120 0.000 0.000 0.248 416 V C 2.317 178.410 176.094 -0.002 0.000 1.055 416 V CA 1.966 64.208 62.300 -0.097 0.000 1.038 416 V CB -0.360 31.343 31.823 -0.200 0.000 0.651 416 V HN 0.407 nan 8.190 nan 0.000 0.450 417 M N -0.482 119.136 119.600 0.029 0.000 2.156 417 M HA -0.078 4.402 4.480 0.000 0.000 0.264 417 M C 1.990 178.301 176.300 0.018 0.000 1.067 417 M CA 1.666 56.994 55.300 0.047 0.000 1.131 417 M CB -0.476 32.151 32.600 0.045 0.000 1.368 417 M HN 0.117 nan 8.290 nan 0.000 0.416 418 V N 0.670 120.575 119.914 -0.014 0.000 2.231 418 V HA -0.360 3.760 4.120 0.000 0.000 0.250 418 V C 2.544 178.651 176.094 0.021 0.000 1.058 418 V CA 2.244 64.543 62.300 -0.000 0.000 1.022 418 V CB -1.756 30.059 31.823 -0.013 0.000 0.640 418 V HN 0.649 nan 8.190 nan 0.000 0.445 419 A N 0.132 122.963 122.820 0.018 0.000 1.933 419 A HA -0.095 4.225 4.320 0.000 0.000 0.218 419 A C 2.380 179.990 177.584 0.043 0.000 1.175 419 A CA 1.945 53.999 52.037 0.028 0.000 0.628 419 A CB -1.155 17.857 19.000 0.021 0.000 0.814 419 A HN 0.587 nan 8.150 nan 0.000 0.444 420 G N -0.213 108.616 108.800 0.049 0.000 2.422 420 G HA2 -0.135 3.825 3.960 0.000 0.000 0.218 420 G HA3 -0.135 3.825 3.960 0.000 0.000 0.218 420 G C 1.512 176.462 174.900 0.084 0.000 1.140 420 G CA 1.007 46.147 45.100 0.068 0.000 0.775 420 G HN 0.477 nan 8.290 nan 0.000 0.545 421 I N 0.081 120.699 120.570 0.080 0.000 2.163 421 I HA -0.148 4.022 4.170 0.000 0.000 0.240 421 I C 3.038 179.204 176.117 0.082 0.000 1.081 421 I CA 0.888 62.242 61.300 0.091 0.000 1.353 421 I CB -0.217 37.836 38.000 0.089 0.000 1.054 421 I HN 0.087 nan 8.210 nan 0.000 0.407 422 R N 0.643 121.180 120.500 0.062 0.000 2.119 422 R HA -0.266 4.074 4.340 0.000 0.000 0.246 422 R C 2.296 178.637 176.300 0.069 0.000 1.146 422 R CA 1.662 57.797 56.100 0.058 0.000 0.962 422 R CB -0.445 29.881 30.300 0.042 0.000 0.863 422 R HN 0.146 nan 8.270 nan 0.000 0.442 423 K N 0.849 121.290 120.400 0.068 0.000 2.097 423 K HA -0.028 4.292 4.320 0.000 0.000 0.205 423 K C 1.835 178.485 176.600 0.083 0.000 1.050 423 K CA 1.533 57.860 56.287 0.065 0.000 0.938 423 K CB -0.297 32.239 32.500 0.059 0.000 0.718 423 K HN 0.158 nan 8.250 nan 0.000 0.442 424 A N 0.938 123.827 122.820 0.115 0.000 1.858 424 A HA -0.155 4.165 4.320 0.000 0.000 0.216 424 A C 2.170 179.876 177.584 0.204 0.000 1.190 424 A CA 1.764 53.902 52.037 0.167 0.000 0.617 424 A CB -0.550 18.577 19.000 0.212 0.000 0.827 424 A HN 0.369 nan 8.150 nan 0.000 0.443 425 R N -0.598 120.030 120.500 0.212 0.000 2.096 425 R HA -0.179 4.161 4.340 0.000 0.000 0.240 425 R C 2.336 178.716 176.300 0.134 0.000 1.139 425 R CA 1.618 57.858 56.100 0.234 0.000 0.952 425 R CB -0.382 30.021 30.300 0.172 0.000 0.854 425 R HN 0.738 nan 8.270 nan 0.000 0.436 426 E N 0.737 120.991 120.200 0.090 0.000 2.085 426 E HA -0.211 4.139 4.350 0.000 0.000 0.194 426 E C 1.921 178.538 176.600 0.029 0.000 0.994 426 E CA 1.285 57.716 56.400 0.053 0.000 0.801 426 E CB -0.000 29.726 29.700 0.043 0.000 0.743 426 E HN 0.345 nan 8.360 nan 0.000 0.453 427 I N 0.558 121.144 120.570 0.026 0.000 2.286 427 I HA -0.200 3.970 4.170 0.000 0.000 0.245 427 I C 2.593 178.680 176.117 -0.049 0.000 1.104 427 I CA 0.828 62.118 61.300 -0.016 0.000 1.397 427 I CB -0.342 37.644 38.000 -0.024 0.000 1.072 427 I HN 0.089 nan 8.210 nan 0.000 0.417 428 A N 0.863 123.656 122.820 -0.044 0.000 1.978 428 A HA -0.173 4.147 4.320 0.000 0.000 0.220 428 A C 2.414 179.931 177.584 -0.112 0.000 1.170 428 A CA 1.968 53.907 52.037 -0.164 0.000 0.636 428 A CB -0.674 18.101 19.000 -0.374 0.000 0.810 428 A HN 0.456 nan 8.150 nan 0.000 0.448 429 A N -1.414 121.388 122.820 -0.031 0.000 2.169 429 A HA 0.135 4.455 4.320 0.000 0.000 0.212 429 A C 1.043 178.622 177.584 -0.007 0.000 1.153 429 A CA 0.077 52.113 52.037 -0.002 0.000 0.756 429 A CB -0.126 18.892 19.000 0.030 0.000 0.813 429 A HN 0.478 nan 8.150 nan 0.000 0.471 430 Q N 0.138 119.925 119.800 -0.021 0.000 2.395 430 Q HA 0.091 4.431 4.340 0.000 0.000 0.271 430 Q C -1.548 174.442 176.000 -0.016 0.000 1.026 430 Q CA -1.877 53.914 55.803 -0.020 0.000 0.900 430 Q CB 0.156 28.873 28.738 -0.034 0.000 1.266 430 Q HN 0.194 nan 8.270 nan 0.000 0.430 431 P HA -0.200 nan 4.420 nan 0.000 0.216 431 P C 0.692 177.992 177.300 -0.000 0.000 1.150 431 P CA 1.914 65.011 63.100 -0.004 0.000 0.843 431 P CB 0.086 31.783 31.700 -0.005 0.000 0.787 432 A N -0.948 121.865 122.820 -0.011 0.000 2.070 432 A HA -0.107 4.213 4.320 0.000 0.000 0.220 432 A C 2.016 179.615 177.584 0.023 0.000 1.159 432 A CA 1.478 53.512 52.037 -0.006 0.000 0.656 432 A CB -0.990 17.989 19.000 -0.035 0.000 0.800 432 A HN 0.081 nan 8.150 nan 0.000 0.453 433 M N -1.220 118.387 119.600 0.012 0.000 2.371 433 M HA 0.254 4.734 4.480 0.000 0.000 0.246 433 M C 2.020 178.382 176.300 0.104 0.000 1.103 433 M CA 0.596 55.931 55.300 0.057 0.000 1.010 433 M CB -0.683 31.885 32.600 -0.053 0.000 1.457 433 M HN 0.450 nan 8.290 nan 0.000 0.486 434 A N 1.323 124.175 122.820 0.053 0.000 1.978 434 A HA -0.143 4.177 4.320 0.000 0.000 0.220 434 A C 1.807 179.404 177.584 0.021 0.000 1.170 434 A CA 1.704 53.760 52.037 0.031 0.000 0.636 434 A CB -0.444 18.562 19.000 0.009 0.000 0.810 434 A HN 0.590 nan 8.150 nan 0.000 0.448 435 E N -2.334 117.858 120.200 -0.014 0.000 2.465 435 E HA -0.034 4.316 4.350 0.000 0.000 0.191 435 E C 0.952 177.402 176.600 -0.251 0.000 1.053 435 E CA -0.085 56.229 56.400 -0.143 0.000 0.869 435 E CB -0.287 29.277 29.700 -0.227 0.000 0.977 435 E HN 0.858 nan 8.360 nan 0.000 0.483 436 W N 0.851 122.163 121.300 0.019 0.000 3.178 436 W HA 0.169 4.829 4.660 0.000 0.000 0.241 436 W C 0.466 177.093 176.519 0.181 0.000 1.122 436 W CA 0.044 57.429 57.345 0.066 0.000 1.595 436 W CB 0.465 29.903 29.460 -0.037 0.000 0.918 436 W HN -0.218 nan 8.180 nan 0.000 0.700 437 T N 1.513 116.277 114.554 0.351 0.000 2.743 437 T HA 0.376 4.726 4.350 0.000 0.000 0.290 437 T C 0.618 175.414 174.700 0.160 0.000 0.908 437 T CA 0.195 62.440 62.100 0.242 0.000 1.092 437 T CB 0.285 69.162 68.868 0.014 0.000 0.882 437 T HN 0.119 nan 8.240 nan 0.000 0.531 438 G N 2.213 111.125 108.800 0.187 0.000 2.630 438 G HA2 0.360 4.320 3.960 0.000 0.000 0.223 438 G HA3 0.360 4.320 3.960 0.000 0.000 0.223 438 G C 0.009 175.027 174.900 0.198 0.000 1.434 438 G CA -0.881 44.310 45.100 0.152 0.000 1.057 438 G HN 0.678 nan 8.290 nan 0.000 0.570 439 R N 0.745 121.328 120.500 0.139 0.000 2.537 439 R HA 0.010 4.351 4.340 0.000 0.000 0.281 439 R C 0.169 176.542 176.300 0.121 0.000 0.988 439 R CA 0.161 56.331 56.100 0.117 0.000 1.077 439 R CB 0.152 30.485 30.300 0.055 0.000 0.932 439 R HN 0.572 nan 8.270 nan 0.000 0.409 440 E N 4.597 124.838 120.200 0.068 0.000 2.299 440 E HA -0.033 4.317 4.350 0.000 0.000 0.272 440 E C 0.468 176.932 176.600 -0.227 0.000 1.043 440 E CA -0.174 56.067 56.400 -0.264 0.000 0.895 440 E CB 0.666 30.194 29.700 -0.287 0.000 1.011 440 E HN 0.659 nan 8.360 nan 0.000 0.432 441 L N 3.220 124.272 121.223 -0.286 0.000 2.127 441 L HA 0.030 4.370 4.340 0.000 0.000 0.203 441 L C 0.942 177.742 176.870 -0.117 0.000 1.080 441 L CA 0.449 55.205 54.840 -0.140 0.000 0.768 441 L CB -0.049 41.949 42.059 -0.102 0.000 0.924 441 L HN 0.499 nan 8.230 nan 0.000 0.444 442 S N -2.249 113.289 115.700 -0.269 0.000 2.533 442 S HA 0.369 4.839 4.470 0.000 0.000 0.271 442 S C -2.394 171.899 174.600 -0.511 0.000 1.143 442 S CA -1.144 56.813 58.200 -0.405 0.000 0.891 442 S CB 1.869 64.802 63.200 -0.446 0.000 1.105 442 S HN -0.189 nan 8.310 nan 0.000 0.468 443 P HA 0.169 nan 4.420 nan 0.000 0.228 443 P C 0.857 177.906 177.300 -0.417 0.000 1.151 443 P CA 1.394 63.766 63.100 -1.213 0.000 0.770 443 P CB -0.697 30.185 31.700 -1.363 0.000 0.786 444 G N 0.147 108.775 108.800 -0.287 0.000 3.039 444 G HA2 -0.135 3.826 3.960 0.000 0.000 0.686 444 G HA3 -0.135 3.826 3.960 0.000 0.000 0.686 444 G C 0.531 175.362 174.900 -0.114 0.000 1.066 444 G CA -0.467 44.557 45.100 -0.127 0.000 0.774 444 G HN 0.126 nan 8.290 nan 0.000 0.591 445 V N 0.189 120.060 119.914 -0.072 0.000 2.527 445 V HA -0.217 3.903 4.120 0.000 0.000 0.255 445 V C 2.359 178.434 176.094 -0.031 0.000 1.081 445 V CA 2.873 65.151 62.300 -0.037 0.000 1.092 445 V CB -0.368 31.454 31.823 -0.001 0.000 0.673 445 V HN 1.115 nan 8.190 nan 0.000 0.470 446 E N 2.333 122.515 120.200 -0.030 0.000 2.130 446 E HA -0.174 4.176 4.350 0.000 0.000 0.196 446 E C 1.239 177.824 176.600 -0.026 0.000 0.998 446 E CA 1.359 57.746 56.400 -0.021 0.000 0.806 446 E CB -0.289 29.401 29.700 -0.017 0.000 0.738 446 E HN 0.840 nan 8.360 nan 0.000 0.459 447 A N 0.819 123.611 122.820 -0.047 0.000 2.404 447 A HA 0.170 4.491 4.320 0.000 0.000 0.273 447 A C 0.482 178.041 177.584 -0.041 0.000 1.144 447 A CA -0.148 51.860 52.037 -0.048 0.000 0.806 447 A CB 1.006 19.953 19.000 -0.088 0.000 1.080 447 A HN 0.305 nan 8.150 nan 0.000 0.509 448 Q N 0.637 120.426 119.800 -0.018 0.000 2.286 448 Q HA 0.084 4.424 4.340 0.000 0.000 0.243 448 Q C 0.810 176.810 176.000 0.000 0.000 0.752 448 Q CA 0.967 56.765 55.803 -0.008 0.000 0.950 448 Q CB 0.670 29.406 28.738 -0.003 0.000 1.253 448 Q HN 0.884 nan 8.270 nan 0.000 0.492 449 T N -0.827 113.728 114.554 0.003 0.000 2.900 449 T HA 0.087 4.437 4.350 0.000 0.000 0.307 449 T C 0.528 175.232 174.700 0.007 0.000 1.065 449 T CA 0.014 62.118 62.100 0.006 0.000 1.105 449 T CB 0.739 69.612 68.868 0.008 0.000 0.979 449 T HN -0.013 nan 8.240 nan 0.000 0.544 450 D N 0.436 120.840 120.400 0.008 0.000 2.133 450 D HA -0.145 4.495 4.640 0.000 0.000 0.192 450 D C 1.893 178.196 176.300 0.005 0.000 1.001 450 D CA 1.707 55.710 54.000 0.006 0.000 0.844 450 D CB -0.153 40.651 40.800 0.006 0.000 0.944 450 D HN 0.857 nan 8.370 nan 0.000 0.447 451 E N 0.185 120.389 120.200 0.008 0.000 2.038 451 E HA -0.210 4.140 4.350 0.000 0.000 0.195 451 E C 1.901 178.511 176.600 0.016 0.000 1.000 451 E CA 1.101 57.507 56.400 0.009 0.000 0.803 451 E CB 0.055 29.761 29.700 0.011 0.000 0.750 451 E HN 0.395 nan 8.360 nan 0.000 0.448 452 E N 0.338 120.550 120.200 0.020 0.000 2.077 452 E HA -0.189 4.161 4.350 0.000 0.000 0.193 452 E C 2.292 178.925 176.600 0.056 0.000 0.989 452 E CA 0.917 57.336 56.400 0.032 0.000 0.800 452 E CB -0.082 29.628 29.700 0.018 0.000 0.746 452 E HN 0.308 nan 8.360 nan 0.000 0.452 453 L N 0.755 122.002 121.223 0.041 0.000 2.156 453 L HA -0.182 4.158 4.340 0.000 0.000 0.208 453 L C 2.528 179.438 176.870 0.067 0.000 1.095 453 L CA 1.006 55.889 54.840 0.072 0.000 0.770 453 L CB -0.305 41.775 42.059 0.036 0.000 0.914 453 L HN 0.161 nan 8.230 nan 0.000 0.439 454 Q N -0.090 119.714 119.800 0.007 0.000 2.050 454 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 454 Q C 1.774 177.748 176.000 -0.042 0.000 0.980 454 Q CA 1.652 57.425 55.803 -0.050 0.000 0.840 454 Q CB -0.065 28.645 28.738 -0.046 0.000 0.898 454 Q HN 0.515 nan 8.270 nan 0.000 0.424 455 D N -0.319 120.088 120.400 0.011 0.000 2.144 455 D HA -0.169 4.471 4.640 0.000 0.000 0.200 455 D C 1.670 177.986 176.300 0.027 0.000 0.978 455 D CA 0.915 54.925 54.000 0.017 0.000 0.833 455 D CB -0.216 40.603 40.800 0.033 0.000 0.961 455 D HN 0.293 nan 8.370 nan 0.000 0.470 456 Y N 1.726 122.001 120.300 -0.043 0.000 2.128 456 Y HA -0.224 4.326 4.550 0.000 0.000 0.284 456 Y C 2.303 178.165 175.900 -0.063 0.000 1.154 456 Y CA 1.375 59.447 58.100 -0.047 0.000 1.149 456 Y CB -0.252 38.180 38.460 -0.046 0.000 0.976 456 Y HN -0.143 nan 8.280 nan 0.000 0.505 457 I N 0.368 120.810 120.570 -0.213 0.000 2.179 457 I HA -0.329 3.841 4.170 0.000 0.000 0.242 457 I C 2.690 178.721 176.117 -0.144 0.000 1.088 457 I CA 1.860 62.990 61.300 -0.283 0.000 1.357 457 I CB -0.503 37.305 38.000 -0.320 0.000 1.051 457 I HN 0.180 nan 8.210 nan 0.000 0.409 458 R N 1.467 121.904 120.500 -0.105 0.000 2.105 458 R HA -0.215 4.125 4.340 0.000 0.000 0.239 458 R C 2.159 178.497 176.300 0.063 0.000 1.135 458 R CA 1.732 57.872 56.100 0.067 0.000 0.967 458 R CB -0.106 30.210 30.300 0.027 0.000 0.861 458 R HN 0.252 nan 8.270 nan 0.000 0.442 459 K N -0.855 119.492 120.400 -0.089 0.000 2.116 459 K HA -0.017 4.303 4.320 0.000 0.000 0.203 459 K C 1.177 177.685 176.600 -0.153 0.000 1.052 459 K CA 1.634 57.824 56.287 -0.163 0.000 0.952 459 K CB 0.455 32.720 32.500 -0.392 0.000 0.729 459 K HN 0.402 nan 8.250 nan 0.000 0.446 460 T N -1.960 112.418 114.554 -0.294 0.000 3.091 460 T HA 0.092 4.442 4.350 0.000 0.000 0.277 460 T C 0.128 174.676 174.700 -0.253 0.000 0.996 460 T CA -0.637 61.285 62.100 -0.296 0.000 0.897 460 T CB -0.393 68.152 68.868 -0.538 0.000 1.109 460 T HN 0.231 nan 8.240 nan 0.000 0.534 461 H N 0.792 119.764 119.070 -0.164 0.000 2.603 461 H HA 0.755 5.311 4.556 0.000 0.000 0.370 461 H C 0.223 175.484 175.328 -0.110 0.000 1.225 461 H CA -0.427 55.552 56.048 -0.114 0.000 1.410 461 H CB 0.374 30.122 29.762 -0.023 0.000 1.495 461 H HN 0.113 nan 8.280 nan 0.000 0.602 462 N N -1.268 117.453 118.700 0.035 0.000 3.470 462 N HA 0.420 5.160 4.740 0.000 0.000 0.361 462 N C -1.208 174.189 175.510 -0.187 0.000 1.536 462 N CA -0.175 52.822 53.050 -0.089 0.000 0.642 462 N CB 1.982 40.471 38.487 0.004 0.000 2.002 462 N HN 0.839 nan 8.380 nan 0.000 0.620 463 T N -1.182 113.125 114.554 -0.411 0.000 2.896 463 T HA 0.459 4.809 4.350 0.000 0.000 0.297 463 T C -0.253 174.046 174.700 -0.669 0.000 1.108 463 T CA -0.592 61.201 62.100 -0.510 0.000 1.004 463 T CB 0.973 69.450 68.868 -0.653 0.000 1.159 463 T HN 0.056 nan 8.240 nan 0.000 0.499 464 V N 3.042 122.639 119.914 -0.529 0.000 3.596 464 V HA 0.224 4.344 4.120 0.000 0.000 0.289 464 V C -0.048 175.634 176.094 -0.686 0.000 1.336 464 V CA -0.152 61.768 62.300 -0.633 0.000 1.137 464 V CB -2.009 29.471 31.823 -0.570 0.000 0.966 464 V HN 1.050 nan 8.190 nan 0.000 0.428 465 Y N -0.572 119.536 120.300 -0.321 0.000 3.790 465 Y HA -0.243 4.307 4.550 0.000 0.000 0.226 465 Y C 0.556 176.544 175.900 0.147 0.000 1.257 465 Y CA 0.620 58.697 58.100 -0.039 0.000 1.765 465 Y CB -2.966 35.520 38.460 0.043 0.000 1.552 465 Y HN 0.630 nan 8.280 nan 0.000 0.650 466 H N -0.382 118.866 119.070 0.296 0.000 2.355 466 H HA 0.266 4.822 4.556 0.000 0.000 0.232 466 H C -2.393 173.073 175.328 0.231 0.000 1.422 466 H CA -2.269 53.954 56.048 0.291 0.000 1.261 466 H CB 0.493 30.480 29.762 0.376 0.000 1.595 466 H HN 0.031 nan 8.280 nan 0.000 0.529 467 P HA 0.037 nan 4.420 nan 0.000 0.276 467 P C -0.074 177.167 177.300 -0.099 0.000 1.230 467 P CA -0.039 63.096 63.100 0.059 0.000 0.776 467 P CB 1.935 33.597 31.700 -0.062 0.000 0.888 468 V N -1.911 117.867 119.914 -0.228 0.000 3.232 468 V HA 0.859 4.979 4.120 0.000 0.000 0.303 468 V C 0.589 176.521 176.094 -0.270 0.000 1.311 468 V CA -0.243 61.878 62.300 -0.298 0.000 1.061 468 V CB 1.055 32.575 31.823 -0.506 0.000 1.085 468 V HN 0.739 nan 8.190 nan 0.000 0.447 469 G N 0.624 109.264 108.800 -0.266 0.000 2.176 469 G HA2 -0.215 3.745 3.960 0.000 0.000 0.232 469 G HA3 -0.215 3.745 3.960 0.000 0.000 0.232 469 G C 0.684 175.486 174.900 -0.164 0.000 0.986 469 G CA 1.024 45.978 45.100 -0.242 0.000 0.643 469 G HN 2.105 nan 8.290 nan 0.000 0.522 470 T N -1.765 112.684 114.554 -0.176 0.000 3.085 470 T HA 0.392 4.742 4.350 0.000 0.000 0.263 470 T C 0.823 175.436 174.700 -0.144 0.000 1.127 470 T CA 1.098 63.098 62.100 -0.167 0.000 1.103 470 T CB 0.720 69.477 68.868 -0.186 0.000 0.921 470 T HN 0.875 nan 8.240 nan 0.000 0.510 471 V N 2.667 122.497 119.914 -0.141 0.000 2.546 471 V HA 0.303 4.423 4.120 0.000 0.000 0.260 471 V C 0.067 176.070 176.094 -0.151 0.000 0.933 471 V CA -1.343 60.885 62.300 -0.121 0.000 0.994 471 V CB 0.134 31.891 31.823 -0.110 0.000 1.160 471 V HN 0.517 nan 8.190 nan 0.000 0.523 472 R N 2.323 122.736 120.500 -0.144 0.000 2.539 472 R HA 0.669 5.009 4.340 0.000 0.000 0.275 472 R C 0.197 176.350 176.300 -0.246 0.000 1.077 472 R CA -0.558 55.392 56.100 -0.250 0.000 1.097 472 R CB 0.875 31.002 30.300 -0.288 0.000 1.018 472 R HN 0.598 nan 8.270 nan 0.000 0.483 473 M N 1.013 120.404 119.600 -0.349 0.000 2.250 473 M HA 0.589 5.069 4.480 0.000 0.000 0.344 473 M C -0.185 175.960 176.300 -0.259 0.000 1.150 473 M CA 0.112 55.236 55.300 -0.294 0.000 1.147 473 M CB 1.583 33.926 32.600 -0.427 0.000 1.498 473 M HN 0.820 nan 8.290 nan 0.000 0.461 474 G N 0.877 109.592 108.800 -0.141 0.000 2.619 474 G HA2 0.686 4.646 3.960 0.000 0.000 0.305 474 G HA3 0.686 4.646 3.960 0.000 0.000 0.305 474 G C -1.623 173.263 174.900 -0.024 0.000 1.330 474 G CA -0.664 44.383 45.100 -0.089 0.000 0.789 474 G HN 1.082 nan 8.290 nan 0.000 0.487 475 A N -0.796 122.023 122.820 -0.003 0.000 2.507 475 A HA 0.443 4.763 4.320 0.000 0.000 0.235 475 A C 1.675 179.263 177.584 0.007 0.000 1.070 475 A CA 0.458 52.503 52.037 0.014 0.000 0.768 475 A CB 0.357 19.364 19.000 0.013 0.000 1.011 475 A HN 1.287 nan 8.150 nan 0.000 0.502 476 V N 1.573 121.496 119.914 0.016 0.000 2.490 476 V HA -0.184 3.936 4.120 0.000 0.000 0.250 476 V C 2.245 178.342 176.094 0.005 0.000 1.061 476 V CA 2.241 64.548 62.300 0.013 0.000 1.064 476 V CB -0.993 30.841 31.823 0.019 0.000 0.670 476 V HN 1.010 nan 8.190 nan 0.000 0.461 477 E N 0.635 120.837 120.200 0.004 0.000 2.476 477 E HA -0.057 4.293 4.350 0.000 0.000 0.191 477 E C 0.103 176.701 176.600 -0.004 0.000 1.064 477 E CA 0.073 56.473 56.400 0.000 0.000 0.866 477 E CB -0.161 29.540 29.700 0.001 0.000 0.952 477 E HN 0.539 nan 8.360 nan 0.000 0.492 478 D N 2.246 122.642 120.400 -0.006 0.000 2.393 478 D HA 0.015 4.655 4.640 0.000 0.000 0.232 478 D C 0.912 177.205 176.300 -0.011 0.000 1.192 478 D CA -0.214 53.780 54.000 -0.011 0.000 0.882 478 D CB 0.834 41.622 40.800 -0.019 0.000 1.038 478 D HN -0.078 nan 8.370 nan 0.000 0.499 479 E N 3.009 123.205 120.200 -0.007 0.000 2.147 479 E HA -0.197 4.153 4.350 0.000 0.000 0.199 479 E C 1.204 177.804 176.600 0.001 0.000 1.005 479 E CA 0.968 57.364 56.400 -0.006 0.000 0.810 479 E CB 0.002 29.699 29.700 -0.005 0.000 0.736 479 E HN 0.627 nan 8.360 nan 0.000 0.460 480 M N 0.132 119.740 119.600 0.012 0.000 2.561 480 M HA 0.066 4.547 4.480 0.000 0.000 0.238 480 M C 0.410 176.750 176.300 0.067 0.000 1.131 480 M CA 0.304 55.639 55.300 0.058 0.000 1.046 480 M CB 0.048 32.697 32.600 0.082 0.000 1.532 480 M HN -0.271 nan 8.290 nan 0.000 0.497 481 S N 1.125 116.823 115.700 -0.003 0.000 2.461 481 S HA 0.293 4.763 4.470 0.000 0.000 0.322 481 S C -1.665 172.915 174.600 -0.034 0.000 1.063 481 S CA -1.062 57.115 58.200 -0.038 0.000 1.120 481 S CB 1.583 64.737 63.200 -0.077 0.000 0.968 481 S HN 0.042 nan 8.310 nan 0.000 0.467 482 P HA 0.002 nan 4.420 nan 0.000 0.220 482 P C -0.370 176.908 177.300 -0.037 0.000 1.148 482 P CA 0.979 64.056 63.100 -0.037 0.000 0.803 482 P CB 0.147 31.819 31.700 -0.046 0.000 0.782 483 L N -0.651 120.540 121.223 -0.053 0.000 2.330 483 L HA 0.407 4.747 4.340 0.000 0.000 0.271 483 L C 0.447 177.299 176.870 -0.030 0.000 1.013 483 L CA -1.412 53.405 54.840 -0.039 0.000 0.816 483 L CB 0.958 42.983 42.059 -0.056 0.000 1.287 483 L HN -0.145 nan 8.230 nan 0.000 0.435 484 D N 0.809 121.211 120.400 0.004 0.000 2.414 484 D HA 0.178 4.818 4.640 0.000 0.000 0.251 484 D C -2.137 174.200 176.300 0.061 0.000 1.252 484 D CA -2.053 51.963 54.000 0.027 0.000 0.999 484 D CB 0.110 40.934 40.800 0.041 0.000 1.093 484 D HN 0.173 nan 8.370 nan 0.000 0.515 485 P HA -0.092 nan 4.420 nan 0.000 0.226 485 P C 0.369 177.894 177.300 0.375 0.000 1.146 485 P CA 1.060 64.312 63.100 0.254 0.000 0.773 485 P CB 0.090 31.931 31.700 0.236 0.000 0.772 486 E N -0.808 119.520 120.200 0.213 0.000 2.463 486 E HA 0.171 4.521 4.350 0.000 0.000 0.193 486 E C 0.824 177.531 176.600 0.178 0.000 1.041 486 E CA -0.083 56.427 56.400 0.183 0.000 0.879 486 E CB -0.025 29.735 29.700 0.100 0.000 0.997 486 E HN 0.227 nan 8.360 nan 0.000 0.478 487 L N -0.020 121.305 121.223 0.170 0.000 4.696 487 L HA -0.283 4.057 4.340 0.000 0.000 0.425 487 L C 0.215 177.122 176.870 0.062 0.000 1.115 487 L CA 0.755 55.657 54.840 0.103 0.000 0.996 487 L CB -1.579 40.570 42.059 0.149 0.000 2.077 487 L HN 0.153 nan 8.230 nan 0.000 0.792 488 R N 0.444 120.982 120.500 0.063 0.000 2.438 488 R HA 0.471 4.811 4.340 0.000 0.000 0.287 488 R C 0.164 176.487 176.300 0.037 0.000 1.077 488 R CA -0.660 55.472 56.100 0.053 0.000 1.034 488 R CB 1.222 31.556 30.300 0.057 0.000 0.993 488 R HN -0.087 nan 8.270 nan 0.000 0.459 489 V N 4.199 124.137 119.914 0.041 0.000 2.521 489 V HA -0.004 4.116 4.120 0.000 0.000 0.286 489 V C 0.664 176.773 176.094 0.024 0.000 1.034 489 V CA 0.159 62.476 62.300 0.029 0.000 1.045 489 V CB 0.466 32.318 31.823 0.050 0.000 0.974 489 V HN 0.631 nan 8.190 nan 0.000 0.480 490 K N 3.139 123.541 120.400 0.004 0.000 2.202 490 K HA 0.480 4.800 4.320 0.000 0.000 0.264 490 K C 1.221 177.810 176.600 -0.018 0.000 1.010 490 K CA 0.517 56.802 56.287 -0.003 0.000 0.940 490 K CB 0.697 33.192 32.500 -0.009 0.000 0.983 490 K HN 1.023 nan 8.250 nan 0.000 0.475 491 G N -0.048 108.740 108.800 -0.021 0.000 2.159 491 G HA2 -0.228 3.732 3.960 0.000 0.000 0.256 491 G HA3 -0.228 3.732 3.960 0.000 0.000 0.256 491 G C -0.165 174.700 174.900 -0.058 0.000 0.977 491 G CA 0.122 45.196 45.100 -0.043 0.000 0.652 491 G HN 0.403 nan 8.290 nan 0.000 0.531 492 V N -0.097 119.804 119.914 -0.021 0.000 3.159 492 V HA 0.880 5.000 4.120 0.000 0.000 0.308 492 V C 0.322 176.457 176.094 0.067 0.000 1.190 492 V CA 0.082 62.388 62.300 0.011 0.000 1.037 492 V CB 2.362 34.200 31.823 0.026 0.000 1.060 492 V HN 0.995 nan 8.190 nan 0.000 0.437 493 T N -1.211 113.410 114.554 0.111 0.000 2.924 493 T HA 0.662 5.012 4.350 0.000 0.000 0.291 493 T C 0.768 175.541 174.700 0.122 0.000 1.045 493 T CA 0.207 62.366 62.100 0.098 0.000 1.015 493 T CB 1.570 70.482 68.868 0.073 0.000 1.103 493 T HN 2.263 nan 8.240 nan 0.000 0.496 494 G N 0.173 109.030 108.800 0.095 0.000 2.155 494 G HA2 -0.169 3.791 3.960 0.000 0.000 0.257 494 G HA3 -0.169 3.791 3.960 0.000 0.000 0.257 494 G C -0.278 174.675 174.900 0.088 0.000 0.983 494 G CA 0.434 45.587 45.100 0.088 0.000 0.676 494 G HN 1.169 nan 8.290 nan 0.000 0.528 495 L N 0.271 121.556 121.223 0.104 0.000 2.376 495 L HA 0.861 5.201 4.340 0.000 0.000 0.275 495 L C 0.050 176.967 176.870 0.078 0.000 0.987 495 L CA -1.010 53.886 54.840 0.093 0.000 0.828 495 L CB 1.249 43.398 42.059 0.150 0.000 1.249 495 L HN 0.210 nan 8.230 nan 0.000 0.409 496 R N 3.111 123.646 120.500 0.058 0.000 2.854 496 R HA 0.851 5.191 4.340 0.000 0.000 0.271 496 R C -1.534 174.780 176.300 0.023 0.000 0.996 496 R CA -1.072 55.054 56.100 0.043 0.000 0.961 496 R CB 2.494 32.820 30.300 0.044 0.000 1.182 496 R HN 0.414 nan 8.270 nan 0.000 0.479 497 V N 1.119 121.038 119.914 0.009 0.000 2.531 497 V HA 0.660 4.780 4.120 0.000 0.000 0.301 497 V C -0.930 175.153 176.094 -0.019 0.000 1.034 497 V CA -0.613 61.678 62.300 -0.015 0.000 0.865 497 V CB 1.710 33.511 31.823 -0.036 0.000 0.995 497 V HN 0.908 nan 8.190 nan 0.000 0.424 498 A N 4.471 127.280 122.820 -0.019 0.000 2.457 498 A HA 0.894 5.214 4.320 0.000 0.000 0.283 498 A C -0.861 176.709 177.584 -0.024 0.000 1.166 498 A CA -0.376 51.655 52.037 -0.010 0.000 0.740 498 A CB 0.883 19.894 19.000 0.018 0.000 1.181 498 A HN 1.010 nan 8.150 nan 0.000 0.446 499 D N 0.613 120.988 120.400 -0.041 0.000 3.250 499 D HA 0.344 4.984 4.640 0.000 0.000 0.360 499 D C 0.810 177.071 176.300 -0.066 0.000 1.486 499 D CA 0.067 54.044 54.000 -0.038 0.000 0.835 499 D CB 0.090 40.865 40.800 -0.042 0.000 1.444 499 D HN 0.638 nan 8.370 nan 0.000 0.513 500 A N -0.188 122.595 122.820 -0.061 0.000 2.070 500 A HA -0.010 4.310 4.320 0.000 0.000 0.220 500 A C 1.887 179.372 177.584 -0.165 0.000 1.159 500 A CA 2.432 54.414 52.037 -0.092 0.000 0.656 500 A CB -1.147 17.813 19.000 -0.067 0.000 0.800 500 A HN 0.798 nan 8.150 nan 0.000 0.453 501 S N -0.054 115.552 115.700 -0.158 0.000 2.515 501 S HA -0.065 4.405 4.470 0.000 0.000 0.231 501 S C 1.666 176.126 174.600 -0.234 0.000 0.987 501 S CA 1.076 59.164 58.200 -0.186 0.000 0.936 501 S CB -0.920 62.188 63.200 -0.154 0.000 0.766 501 S HN 1.028 nan 8.310 nan 0.000 0.528 502 V N -0.745 119.011 119.914 -0.263 0.000 2.591 502 V HA 0.232 4.352 4.120 0.000 0.000 0.249 502 V C 1.166 176.913 176.094 -0.578 0.000 1.053 502 V CA 0.192 62.271 62.300 -0.368 0.000 1.068 502 V CB -1.171 30.430 31.823 -0.369 0.000 0.689 502 V HN 0.477 nan 8.190 nan 0.000 0.462 503 M N 2.439 121.670 119.600 -0.614 0.000 2.286 503 M HA 0.071 4.551 4.480 0.000 0.000 0.365 503 M C -1.191 174.602 176.300 -0.845 0.000 1.443 503 M CA -0.243 54.511 55.300 -0.912 0.000 0.951 503 M CB 0.028 32.328 32.600 -0.499 0.000 1.961 503 M HN 0.188 nan 8.290 nan 0.000 0.468 504 P HA 0.025 nan 4.420 nan 0.000 0.235 504 P C -0.202 176.580 177.300 -0.863 0.000 1.177 504 P CA 1.143 63.701 63.100 -0.903 0.000 0.785 504 P CB 0.320 31.467 31.700 -0.922 0.000 0.885 505 E N -1.004 118.803 120.200 -0.655 0.000 2.354 505 E HA 0.218 4.568 4.350 0.000 0.000 0.283 505 E C -0.885 175.771 176.600 0.094 0.000 0.938 505 E CA -0.761 55.481 56.400 -0.264 0.000 0.777 505 E CB 0.424 29.989 29.700 -0.225 0.000 1.222 505 E HN -0.126 nan 8.360 nan 0.000 0.423 506 H N 2.076 121.158 119.070 0.020 0.000 2.983 506 H HA 0.173 4.729 4.556 0.000 0.000 0.361 506 H C 0.096 175.515 175.328 0.152 0.000 1.145 506 H CA 0.915 56.972 56.048 0.016 0.000 1.404 506 H CB 0.646 30.317 29.762 -0.151 0.000 1.356 506 H HN 0.425 nan 8.280 nan 0.000 0.612 507 V N 1.492 121.741 119.914 0.559 0.000 2.904 507 V HA 0.157 4.277 4.120 0.000 0.000 0.305 507 V C 1.266 177.423 176.094 0.106 0.000 1.067 507 V CA -0.341 62.164 62.300 0.342 0.000 1.044 507 V CB 0.978 32.982 31.823 0.302 0.000 1.050 507 V HN 0.828 nan 8.190 nan 0.000 0.475 508 T N 1.805 116.369 114.554 0.017 0.000 2.881 508 T HA 0.014 4.364 4.350 0.000 0.000 0.270 508 T C 0.657 175.241 174.700 -0.193 0.000 1.068 508 T CA 1.671 63.706 62.100 -0.108 0.000 1.131 508 T CB -0.363 68.507 68.868 0.003 0.000 0.871 508 T HN 1.044 nan 8.240 nan 0.000 0.479 509 V N -1.210 118.623 119.914 -0.135 0.000 3.113 509 V HA 0.480 4.600 4.120 0.000 0.000 0.316 509 V C -0.538 175.526 176.094 -0.050 0.000 1.125 509 V CA -1.850 60.314 62.300 -0.225 0.000 1.026 509 V CB 1.309 32.815 31.823 -0.529 0.000 1.080 509 V HN 0.090 nan 8.190 nan 0.000 0.444 510 N N 2.953 121.632 118.700 -0.034 0.000 2.301 510 N HA 0.059 4.799 4.740 0.000 0.000 0.267 510 N C -1.922 173.546 175.510 -0.070 0.000 1.304 510 N CA -0.084 52.861 53.050 -0.175 0.000 0.851 510 N CB 0.715 39.207 38.487 0.008 0.000 1.070 510 N HN 0.659 nan 8.380 nan 0.000 0.483 511 P HA -0.014 nan 4.420 nan 0.000 0.261 511 P C 0.818 178.159 177.300 0.068 0.000 1.268 511 P CA 0.300 63.432 63.100 0.052 0.000 0.833 511 P CB 0.202 31.966 31.700 0.106 0.000 1.231 512 N N 0.912 119.631 118.700 0.032 0.000 2.011 512 N HA -0.159 4.581 4.740 0.000 0.000 0.199 512 N C 1.553 177.116 175.510 0.088 0.000 1.047 512 N CA 1.420 54.505 53.050 0.058 0.000 0.863 512 N CB -0.157 38.350 38.487 0.034 0.000 1.056 512 N HN -0.115 nan 8.380 nan 0.000 0.427 513 I N 1.183 121.807 120.570 0.090 0.000 2.335 513 I HA -0.192 3.978 4.170 0.000 0.000 0.251 513 I C 2.175 178.417 176.117 0.209 0.000 1.129 513 I CA 1.272 62.640 61.300 0.114 0.000 1.402 513 I CB -1.674 36.356 38.000 0.050 0.000 1.069 513 I HN 0.241 nan 8.210 nan 0.000 0.424 514 T N 0.817 115.506 114.554 0.225 0.000 2.867 514 T HA -0.052 4.298 4.350 0.000 0.000 0.268 514 T C 2.132 176.945 174.700 0.189 0.000 1.057 514 T CA 0.876 63.144 62.100 0.279 0.000 1.136 514 T CB -0.088 68.937 68.868 0.261 0.000 0.874 514 T HN 0.135 nan 8.240 nan 0.000 0.466 515 V N 1.388 121.389 119.914 0.145 0.000 2.488 515 V HA -0.056 4.064 4.120 0.000 0.000 0.246 515 V C 2.440 178.582 176.094 0.081 0.000 1.046 515 V CA 1.198 63.561 62.300 0.106 0.000 1.053 515 V CB -0.559 31.308 31.823 0.075 0.000 0.679 515 V HN 0.485 nan 8.190 nan 0.000 0.458 516 M N -0.842 118.813 119.600 0.092 0.000 2.149 516 M HA -0.242 4.238 4.480 0.000 0.000 0.261 516 M C 2.321 178.651 176.300 0.051 0.000 1.064 516 M CA 1.856 57.206 55.300 0.083 0.000 1.102 516 M CB -0.464 32.232 32.600 0.159 0.000 1.369 516 M HN 0.341 nan 8.290 nan 0.000 0.408 517 M N 0.596 120.223 119.600 0.046 0.000 2.175 517 M HA -0.151 4.329 4.480 0.000 0.000 0.264 517 M C 1.893 178.200 176.300 0.012 0.000 1.063 517 M CA 1.727 56.983 55.300 -0.073 0.000 1.119 517 M CB -0.517 31.881 32.600 -0.337 0.000 1.377 517 M HN 0.245 nan 8.290 nan 0.000 0.415 518 I N 0.046 120.685 120.570 0.115 0.000 2.179 518 I HA -0.228 3.942 4.170 0.000 0.000 0.242 518 I C 2.506 178.708 176.117 0.141 0.000 1.088 518 I CA 1.418 62.859 61.300 0.235 0.000 1.357 518 I CB -0.931 37.188 38.000 0.199 0.000 1.051 518 I HN 0.397 nan 8.210 nan 0.000 0.409 519 G N 0.116 108.936 108.800 0.032 0.000 2.421 519 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 519 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 519 G C 1.486 176.333 174.900 -0.089 0.000 1.171 519 G CA 0.416 45.486 45.100 -0.049 0.000 0.775 519 G HN 0.296 nan 8.290 nan 0.000 0.543 520 E N 0.335 120.477 120.200 -0.095 0.000 2.114 520 E HA -0.224 4.126 4.350 0.000 0.000 0.199 520 E C 2.515 179.065 176.600 -0.085 0.000 1.008 520 E CA 1.333 57.680 56.400 -0.087 0.000 0.810 520 E CB -0.160 29.505 29.700 -0.058 0.000 0.739 520 E HN 0.376 nan 8.360 nan 0.000 0.456 521 R N 0.447 120.906 120.500 -0.069 0.000 2.119 521 R HA -0.019 4.321 4.340 0.000 0.000 0.222 521 R C 2.396 178.650 176.300 -0.076 0.000 1.088 521 R CA 1.030 57.056 56.100 -0.123 0.000 0.984 521 R CB -0.827 29.344 30.300 -0.215 0.000 0.884 521 R HN 0.183 nan 8.270 nan 0.000 0.447 522 C N -0.191 119.108 119.300 -0.001 0.000 2.462 522 C HA 0.079 4.539 4.460 0.000 0.000 0.278 522 C C 2.703 177.653 174.990 -0.066 0.000 1.253 522 C CA 0.956 59.977 59.018 0.003 0.000 1.713 522 C CB -1.173 26.576 27.740 0.016 0.000 2.049 522 C HN 0.674 nan 8.230 nan 0.000 0.477 523 A N 0.561 123.324 122.820 -0.095 0.000 1.909 523 A HA -0.314 4.006 4.320 0.000 0.000 0.221 523 A C 1.732 179.253 177.584 -0.105 0.000 1.223 523 A CA 2.790 54.755 52.037 -0.121 0.000 0.658 523 A CB -1.038 17.893 19.000 -0.114 0.000 0.831 523 A HN 0.662 nan 8.150 nan 0.000 0.462 524 D N -0.664 119.680 120.400 -0.094 0.000 2.264 524 D HA -0.005 4.635 4.640 0.000 0.000 0.208 524 D C 1.807 178.057 176.300 -0.084 0.000 0.966 524 D CA 0.732 54.679 54.000 -0.089 0.000 0.864 524 D CB -0.206 40.531 40.800 -0.104 0.000 0.933 524 D HN 0.503 nan 8.370 nan 0.000 0.499 525 L N -0.194 120.980 121.223 -0.082 0.000 2.131 525 L HA 0.012 4.352 4.340 0.000 0.000 0.206 525 L C 2.238 179.088 176.870 -0.034 0.000 1.087 525 L CA 0.511 55.318 54.840 -0.056 0.000 0.767 525 L CB -0.069 41.972 42.059 -0.031 0.000 0.917 525 L HN -0.003 nan 8.230 nan 0.000 0.441 526 I N -0.101 120.437 120.570 -0.053 0.000 2.233 526 I HA -0.162 4.008 4.170 0.000 0.000 0.243 526 I C 1.237 177.337 176.117 -0.028 0.000 1.093 526 I CA 0.681 61.948 61.300 -0.054 0.000 1.380 526 I CB -0.040 37.857 38.000 -0.171 0.000 1.067 526 I HN 0.239 nan 8.210 nan 0.000 0.413 527 R N 0.688 121.157 120.500 -0.052 0.000 2.308 527 R HA 0.346 4.686 4.340 0.000 0.000 0.325 527 R C 0.254 176.545 176.300 -0.014 0.000 1.161 527 R CA 0.557 56.649 56.100 -0.015 0.000 1.022 527 R CB 1.033 31.321 30.300 -0.021 0.000 1.091 527 R HN 0.124 nan 8.270 nan 0.000 0.497 528 S N 0.968 116.669 115.700 0.002 0.000 2.501 528 S HA -0.130 4.340 4.470 0.000 0.000 0.215 528 S C 1.175 175.779 174.600 0.007 0.000 0.766 528 S CA 0.305 58.502 58.200 -0.004 0.000 0.991 528 S CB -1.235 61.951 63.200 -0.024 0.000 0.895 528 S HN 0.664 nan 8.310 nan 0.000 0.574 529 A N 1.062 123.893 122.820 0.019 0.000 1.872 529 A HA 0.652 4.972 4.320 0.000 0.000 0.214 529 A C 1.097 178.706 177.584 0.041 0.000 1.187 529 A CA 1.798 53.856 52.037 0.034 0.000 0.614 529 A CB -0.105 18.926 19.000 0.052 0.000 0.826 529 A HN 0.590 nan 8.150 nan 0.000 0.442 530 R N 0.000 120.531 120.500 0.052 0.000 2.786 530 R HA 0.000 4.340 4.340 0.000 0.000 0.208 530 R CA 0.000 56.127 56.100 0.045 0.000 0.921 530 R CB 0.000 30.323 30.300 0.039 0.000 0.687 530 R HN 0.000 nan 8.270 nan 0.000 0.535