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_D 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 0.000 176.368 176.300 0.114 0.000 1.140 1 M CA 0.000 55.363 55.300 0.106 0.000 0.988 1 M CB 0.000 32.639 32.600 0.065 0.000 1.302 2 H N 1.001 120.078 119.070 0.011 0.000 2.539 2 H HA 0.744 5.300 4.556 -0.000 0.000 0.332 2 H C -2.125 173.194 175.328 -0.015 0.000 1.031 2 H CA -0.666 55.381 56.048 -0.003 0.000 1.206 2 H CB 1.268 31.047 29.762 0.028 0.000 1.446 2 H HN 0.681 nan 8.280 nan 0.000 0.496 3 I N 5.660 126.181 120.570 -0.082 0.000 2.382 3 I HA 0.033 4.202 4.170 -0.000 0.000 0.286 3 I C 0.028 176.039 176.117 -0.178 0.000 1.002 3 I CA -0.458 60.743 61.300 -0.164 0.000 1.135 3 I CB 1.638 39.599 38.000 -0.066 0.000 1.288 3 I HN 0.727 nan 8.210 nan 0.000 0.448 4 D N 3.982 124.227 120.400 -0.259 0.000 2.389 4 D HA 0.007 4.647 4.640 -0.000 0.000 0.206 4 D C 0.243 176.495 176.300 -0.081 0.000 1.055 4 D CA 0.187 54.107 54.000 -0.134 0.000 0.856 4 D CB 0.209 40.917 40.800 -0.153 0.000 0.957 4 D HN 0.393 nan 8.370 nan 0.000 0.509 5 N N 0.638 119.278 118.700 -0.100 0.000 2.454 5 N HA 0.083 4.823 4.740 -0.000 0.000 0.291 5 N C -0.279 175.163 175.510 -0.113 0.000 1.079 5 N CA -0.514 52.482 53.050 -0.089 0.000 0.893 5 N CB 2.148 40.591 38.487 -0.073 0.000 1.512 5 N HN -0.038 nan 8.380 nan 0.000 0.497 6 I N 2.753 123.226 120.570 -0.161 0.000 3.001 6 I HA -0.066 4.104 4.170 -0.000 0.000 0.268 6 I C 1.560 177.560 176.117 -0.195 0.000 1.267 6 I CA 0.625 61.796 61.300 -0.215 0.000 1.472 6 I CB 0.209 37.987 38.000 -0.369 0.000 1.089 6 I HN 0.632 nan 8.210 nan 0.000 0.468 7 E N 0.841 120.952 120.200 -0.149 0.000 2.209 7 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 7 E C 1.113 177.674 176.600 -0.065 0.000 0.993 7 E CA 0.898 57.248 56.400 -0.084 0.000 0.819 7 E CB -0.079 29.587 29.700 -0.058 0.000 0.745 7 E HN 0.574 nan 8.360 nan 0.000 0.477 8 N N 0.488 119.146 118.700 -0.070 0.000 2.461 8 N HA -0.023 4.716 4.740 -0.000 0.000 0.188 8 N C -0.005 175.477 175.510 -0.046 0.000 1.134 8 N CA 0.259 53.276 53.050 -0.056 0.000 0.878 8 N CB 0.196 38.645 38.487 -0.064 0.000 0.972 8 N HN 0.065 nan 8.380 nan 0.000 0.456 9 L N 0.980 122.173 121.223 -0.049 0.000 2.295 9 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 9 L C 1.115 177.964 176.870 -0.034 0.000 1.018 9 L CA -0.151 54.672 54.840 -0.028 0.000 0.841 9 L CB 1.213 43.270 42.059 -0.004 0.000 1.218 9 L HN -0.075 nan 8.230 nan 0.000 0.424 10 S N 1.593 117.271 115.700 -0.036 0.000 2.503 10 S HA 0.147 4.617 4.470 -0.000 0.000 0.217 10 S C 0.381 174.944 174.600 -0.062 0.000 0.999 10 S CA -0.059 58.117 58.200 -0.040 0.000 0.914 10 S CB -0.098 63.081 63.200 -0.034 0.000 0.782 10 S HN 0.658 nan 8.310 nan 0.000 0.520 11 D N 1.131 121.478 120.400 -0.089 0.000 2.256 11 D HA 0.436 5.076 4.640 -0.000 0.000 0.240 11 D C 0.294 176.442 176.300 -0.253 0.000 1.062 11 D CA -0.505 53.394 54.000 -0.168 0.000 0.832 11 D CB 1.231 41.908 40.800 -0.204 0.000 1.135 11 D HN 0.185 nan 8.370 nan 0.000 0.484 12 R N 2.509 122.851 120.500 -0.263 0.000 2.600 12 R HA 0.192 4.532 4.340 -0.000 0.000 0.392 12 R C -0.096 176.022 176.300 -0.303 0.000 1.032 12 R CA -0.352 55.629 56.100 -0.199 0.000 1.139 12 R CB 1.028 31.314 30.300 -0.024 0.000 1.400 12 R HN 0.375 nan 8.270 nan 0.000 0.566 13 E N 0.981 120.873 120.200 -0.514 0.000 2.151 13 E HA 0.400 4.749 4.350 -0.000 0.000 0.275 13 E C -1.259 174.940 176.600 -0.668 0.000 0.936 13 E CA -0.455 55.705 56.400 -0.400 0.000 0.777 13 E CB 0.846 30.412 29.700 -0.223 0.000 1.108 13 E HN -0.104 nan 8.360 nan 0.000 0.401 14 F N 1.670 121.590 119.950 -0.049 0.000 2.603 14 F HA 0.254 4.780 4.527 -0.000 0.000 0.317 14 F C 1.063 176.815 175.800 -0.080 0.000 1.066 14 F CA -0.792 57.184 58.000 -0.040 0.000 0.941 14 F CB 1.662 40.650 39.000 -0.021 0.000 1.291 14 F HN 0.438 nan 8.300 nan 0.000 0.472 15 D N 0.164 120.642 120.400 0.131 0.000 2.162 15 D HA -0.072 4.568 4.640 -0.000 0.000 0.203 15 D C -0.545 175.515 176.300 -0.401 0.000 0.967 15 D CA 1.794 55.711 54.000 -0.139 0.000 0.840 15 D CB 0.175 40.937 40.800 -0.063 0.000 0.972 15 D HN 0.294 nan 8.370 nan 0.000 0.482 16 Y N -0.598 119.773 120.300 0.118 0.000 2.442 16 Y HA 0.470 5.020 4.550 -0.000 0.000 0.344 16 Y C -0.238 175.669 175.900 0.012 0.000 0.976 16 Y CA -0.785 57.349 58.100 0.058 0.000 1.040 16 Y CB 2.036 40.520 38.460 0.040 0.000 1.228 16 Y HN -0.324 nan 8.280 nan 0.000 0.451 17 I N 3.776 124.420 120.570 0.123 0.000 2.436 17 I HA 0.487 4.657 4.170 -0.000 0.000 0.289 17 I C -1.070 175.057 176.117 0.016 0.000 1.010 17 I CA -0.970 60.327 61.300 -0.005 0.000 1.098 17 I CB 1.589 39.567 38.000 -0.037 0.000 1.266 17 I HN 0.242 nan 8.210 nan 0.000 0.434 18 V N 6.913 126.817 119.914 -0.016 0.000 2.435 18 V HA 0.446 4.566 4.120 -0.000 0.000 0.290 18 V C -0.070 176.009 176.094 -0.025 0.000 1.030 18 V CA -0.748 61.550 62.300 -0.004 0.000 0.881 18 V CB 1.955 33.779 31.823 0.002 0.000 0.983 18 V HN 0.385 nan 8.190 nan 0.000 0.445 19 V N 3.340 123.245 119.914 -0.016 0.000 2.417 19 V HA 0.922 5.041 4.120 -0.000 0.000 0.291 19 V C 0.456 176.552 176.094 0.002 0.000 1.024 19 V CA 0.237 62.529 62.300 -0.013 0.000 0.861 19 V CB 1.108 32.920 31.823 -0.018 0.000 0.985 19 V HN 1.343 nan 8.190 nan 0.000 0.436 20 G N 3.467 112.280 108.800 0.023 0.000 3.434 20 G HA2 0.129 4.089 3.960 -0.000 0.000 0.686 20 G HA3 0.129 4.089 3.960 -0.000 0.000 0.686 20 G C 0.210 175.133 174.900 0.039 0.000 1.099 20 G CA -0.421 44.704 45.100 0.041 0.000 0.931 20 G HN 1.351 nan 8.290 nan 0.000 0.520 21 G N 0.883 109.720 108.800 0.062 0.000 3.702 21 G HA2 0.641 4.600 3.960 -0.000 0.000 0.288 21 G HA3 0.641 4.600 3.960 -0.000 0.000 0.288 21 G C 0.975 175.902 174.900 0.045 0.000 1.193 21 G CA 0.932 46.065 45.100 0.056 0.000 0.952 21 G HN 1.261 nan 8.290 nan 0.000 0.544 22 G N 0.295 109.115 108.800 0.034 0.000 2.582 22 G HA2 0.335 4.295 3.960 -0.000 0.000 0.232 22 G HA3 0.335 4.295 3.960 -0.000 0.000 0.232 22 G C 1.347 176.253 174.900 0.010 0.000 1.458 22 G CA 0.554 45.670 45.100 0.028 0.000 1.062 22 G HN 0.180 nan 8.290 nan 0.000 0.566 23 S N 0.100 115.810 115.700 0.016 0.000 2.359 23 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 23 S C 2.596 177.180 174.600 -0.026 0.000 1.035 23 S CA 1.628 59.839 58.200 0.018 0.000 1.018 23 S CB -0.511 62.711 63.200 0.037 0.000 0.876 23 S HN 0.765 nan 8.310 nan 0.000 0.448 24 A N 1.699 124.502 122.820 -0.029 0.000 1.843 24 A HA 0.300 4.619 4.320 -0.000 0.000 0.213 24 A C 2.402 179.927 177.584 -0.098 0.000 1.202 24 A CA 1.314 53.316 52.037 -0.059 0.000 0.607 24 A CB -1.538 17.447 19.000 -0.025 0.000 0.847 24 A HN 0.494 nan 8.150 nan 0.000 0.445 25 G N -0.221 108.543 108.800 -0.059 0.000 2.440 25 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.218 25 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.218 25 G C 1.739 176.592 174.900 -0.078 0.000 1.154 25 G CA 1.630 46.698 45.100 -0.053 0.000 0.767 25 G HN 0.815 nan 8.290 nan 0.000 0.552 26 A N 1.113 123.885 122.820 -0.080 0.000 1.940 26 A HA 0.196 4.516 4.320 -0.000 0.000 0.219 26 A C 2.809 180.206 177.584 -0.311 0.000 1.176 26 A CA 2.400 54.377 52.037 -0.100 0.000 0.631 26 A CB -0.747 18.230 19.000 -0.037 0.000 0.814 26 A HN 0.806 nan 8.150 nan 0.000 0.446 27 A N -0.487 122.016 122.820 -0.529 0.000 1.873 27 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 27 A C 2.225 179.507 177.584 -0.503 0.000 1.186 27 A CA 1.805 53.251 52.037 -0.986 0.000 0.616 27 A CB -1.010 17.484 19.000 -0.843 0.000 0.823 27 A HN 0.487 nan 8.150 nan 0.000 0.442 28 V N 0.105 119.849 119.914 -0.284 0.000 2.343 28 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 28 V C 3.011 179.014 176.094 -0.153 0.000 1.051 28 V CA 1.900 64.091 62.300 -0.182 0.000 1.036 28 V CB -1.602 30.153 31.823 -0.113 0.000 0.654 28 V HN 0.599 nan 8.190 nan 0.000 0.451 29 A N 0.446 123.200 122.820 -0.111 0.000 1.865 29 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 29 A C 2.444 179.991 177.584 -0.061 0.000 1.191 29 A CA 2.604 54.632 52.037 -0.014 0.000 0.623 29 A CB -0.991 18.074 19.000 0.108 0.000 0.826 29 A HN 0.610 nan 8.150 nan 0.000 0.444 30 A N -0.973 121.754 122.820 -0.155 0.000 1.898 30 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 30 A C 2.199 179.724 177.584 -0.099 0.000 1.181 30 A CA 1.370 53.302 52.037 -0.174 0.000 0.620 30 A CB -0.388 18.553 19.000 -0.097 0.000 0.819 30 A HN 0.399 nan 8.150 nan 0.000 0.442 31 R N -0.365 120.071 120.500 -0.106 0.000 2.092 31 R HA 0.061 4.401 4.340 -0.000 0.000 0.231 31 R C 2.003 178.250 176.300 -0.087 0.000 1.119 31 R CA 0.796 56.853 56.100 -0.073 0.000 0.970 31 R CB -1.004 29.248 30.300 -0.080 0.000 0.864 31 R HN 0.557 nan 8.270 nan 0.000 0.440 32 L N 1.293 122.443 121.223 -0.122 0.000 2.141 32 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 32 L C 2.375 179.201 176.870 -0.074 0.000 1.094 32 L CA 1.572 56.312 54.840 -0.167 0.000 0.763 32 L CB -0.388 41.495 42.059 -0.293 0.000 0.908 32 L HN 0.255 nan 8.230 nan 0.000 0.437 33 S N -1.446 114.243 115.700 -0.019 0.000 2.481 33 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 33 S C 1.602 176.216 174.600 0.022 0.000 0.996 33 S CA 0.662 58.889 58.200 0.044 0.000 0.942 33 S CB -0.208 63.030 63.200 0.063 0.000 0.768 33 S HN 0.411 nan 8.310 nan 0.000 0.520 34 E N 1.291 121.485 120.200 -0.009 0.000 2.273 34 E HA -0.138 4.212 4.350 -0.000 0.000 0.198 34 E C 0.094 176.702 176.600 0.013 0.000 1.002 34 E CA 0.985 57.383 56.400 -0.003 0.000 0.828 34 E CB -0.025 29.669 29.700 -0.010 0.000 0.747 34 E HN 0.577 nan 8.360 nan 0.000 0.491 35 D N -0.286 120.126 120.400 0.020 0.000 2.359 35 D HA 0.027 4.667 4.640 -0.000 0.000 0.230 35 D C -1.744 174.590 176.300 0.056 0.000 1.118 35 D CA -2.460 51.561 54.000 0.035 0.000 0.844 35 D CB 1.238 42.060 40.800 0.036 0.000 1.059 35 D HN -0.127 nan 8.370 nan 0.000 0.493 36 P HA -0.141 nan 4.420 nan 0.000 0.222 36 P C 0.791 178.131 177.300 0.067 0.000 1.142 36 P CA 0.676 63.813 63.100 0.060 0.000 0.788 36 P CB 0.157 31.885 31.700 0.046 0.000 0.767 37 A N -0.880 121.979 122.820 0.066 0.000 2.238 37 A HA 0.195 4.514 4.320 -0.000 0.000 0.208 37 A C 0.884 178.521 177.584 0.088 0.000 1.177 37 A CA 0.343 52.420 52.037 0.066 0.000 0.804 37 A CB -0.181 18.852 19.000 0.056 0.000 0.823 37 A HN 0.162 nan 8.150 nan 0.000 0.482 38 V N 0.860 120.845 119.914 0.118 0.000 2.686 38 V HA 0.434 4.553 4.120 -0.000 0.000 0.306 38 V C -0.159 176.055 176.094 0.200 0.000 1.065 38 V CA -0.300 62.104 62.300 0.173 0.000 0.894 38 V CB 2.216 34.179 31.823 0.233 0.000 1.004 38 V HN 0.448 nan 8.190 nan 0.000 0.424 39 S N 5.491 121.320 115.700 0.213 0.000 2.554 39 S HA 0.834 5.304 4.470 -0.000 0.000 0.278 39 S C -0.804 173.998 174.600 0.336 0.000 1.242 39 S CA -0.566 57.789 58.200 0.258 0.000 1.051 39 S CB 1.664 65.005 63.200 0.235 0.000 0.986 39 S HN 0.628 nan 8.310 nan 0.000 0.502 40 V N 1.580 121.670 119.914 0.292 0.000 2.668 40 V HA 0.768 4.888 4.120 -0.000 0.000 0.304 40 V C -0.070 175.969 176.094 -0.091 0.000 1.071 40 V CA -0.655 61.763 62.300 0.197 0.000 0.894 40 V CB 1.467 33.438 31.823 0.246 0.000 1.008 40 V HN 1.257 nan 8.190 nan 0.000 0.425 41 A N 4.374 126.949 122.820 -0.408 0.000 2.337 41 A HA 0.950 5.269 4.320 -0.000 0.000 0.329 41 A C -1.291 176.060 177.584 -0.389 0.000 1.146 41 A CA -0.588 50.998 52.037 -0.753 0.000 0.800 41 A CB 1.499 19.517 19.000 -1.637 0.000 1.220 41 A HN 0.833 nan 8.150 nan 0.000 0.472 42 L N 2.868 123.866 121.223 -0.375 0.000 2.325 42 L HA 0.626 4.965 4.340 -0.000 0.000 0.281 42 L C -1.027 175.757 176.870 -0.144 0.000 1.004 42 L CA -0.239 54.519 54.840 -0.136 0.000 0.823 42 L CB 1.794 43.904 42.059 0.086 0.000 1.236 42 L HN 0.394 nan 8.230 nan 0.000 0.415 43 V N 4.262 124.121 119.914 -0.092 0.000 2.357 43 V HA 0.564 4.683 4.120 -0.000 0.000 0.284 43 V C -0.397 175.701 176.094 0.006 0.000 1.018 43 V CA -0.594 61.672 62.300 -0.058 0.000 0.841 43 V CB 1.296 33.080 31.823 -0.065 0.000 0.991 43 V HN 0.775 nan 8.190 nan 0.000 0.437 44 E N 4.146 124.366 120.200 0.033 0.000 2.199 44 E HA 0.722 5.071 4.350 -0.000 0.000 0.269 44 E C 0.635 177.294 176.600 0.097 0.000 0.899 44 E CA -0.030 56.416 56.400 0.078 0.000 0.772 44 E CB 2.063 31.811 29.700 0.080 0.000 1.155 44 E HN 0.542 nan 8.360 nan 0.000 0.408 45 A N 3.778 126.694 122.820 0.161 0.000 1.902 45 A HA 0.149 4.469 4.320 -0.000 0.000 0.217 45 A C 1.294 178.917 177.584 0.065 0.000 1.181 45 A CA 1.402 53.541 52.037 0.170 0.000 0.623 45 A CB -1.035 18.202 19.000 0.395 0.000 0.818 45 A HN 0.613 nan 8.150 nan 0.000 0.443 46 G N -0.727 108.101 108.800 0.047 0.000 2.621 46 G HA2 0.454 4.414 3.960 -0.000 0.000 0.271 46 G HA3 0.454 4.414 3.960 -0.000 0.000 0.271 46 G C -2.353 172.573 174.900 0.043 0.000 1.236 46 G CA -0.922 44.167 45.100 -0.017 0.000 0.958 46 G HN 0.274 nan 8.290 nan 0.000 0.512 47 P HA 0.155 nan 4.420 nan 0.000 0.277 47 P C -0.712 176.661 177.300 0.122 0.000 1.276 47 P CA -0.325 62.839 63.100 0.107 0.000 0.788 47 P CB 0.843 32.631 31.700 0.146 0.000 1.114 48 D N -0.944 119.526 120.400 0.117 0.000 2.313 48 D HA 0.032 4.672 4.640 -0.000 0.000 0.247 48 D C 0.877 177.222 176.300 0.075 0.000 1.094 48 D CA -0.214 53.825 54.000 0.066 0.000 0.925 48 D CB 0.447 41.248 40.800 0.003 0.000 1.188 48 D HN 0.253 nan 8.370 nan 0.000 0.430 49 D N 2.004 122.448 120.400 0.074 0.000 2.271 49 D HA -0.067 4.573 4.640 -0.000 0.000 0.206 49 D C 0.195 176.531 176.300 0.060 0.000 0.967 49 D CA 0.064 54.104 54.000 0.067 0.000 0.867 49 D CB -0.258 40.592 40.800 0.082 0.000 0.960 49 D HN 0.270 nan 8.370 nan 0.000 0.509 50 R N 0.477 120.986 120.500 0.016 0.000 2.504 50 R HA 0.308 4.648 4.340 -0.000 0.000 0.291 50 R C 1.239 177.525 176.300 -0.024 0.000 0.974 50 R CA 1.046 57.094 56.100 -0.086 0.000 1.077 50 R CB -0.116 30.035 30.300 -0.248 0.000 0.926 50 R HN 0.360 nan 8.270 nan 0.000 0.407 51 G N 1.585 110.379 108.800 -0.011 0.000 2.148 51 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 51 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 51 G C -0.039 174.873 174.900 0.020 0.000 0.981 51 G CA 0.076 45.180 45.100 0.008 0.000 0.670 51 G HN 0.448 nan 8.290 nan 0.000 0.528 52 V N 1.188 121.109 119.914 0.011 0.000 2.275 52 V HA 0.323 4.443 4.120 -0.000 0.000 0.272 52 V C -0.385 175.693 176.094 -0.026 0.000 1.028 52 V CA -0.754 61.540 62.300 -0.010 0.000 0.810 52 V CB 1.424 33.210 31.823 -0.061 0.000 1.043 52 V HN 0.131 nan 8.190 nan 0.000 0.453 53 P HA -0.141 nan 4.420 nan 0.000 0.219 53 P C 1.367 178.670 177.300 0.004 0.000 1.150 53 P CA 1.006 64.113 63.100 0.011 0.000 0.814 53 P CB 0.374 32.090 31.700 0.025 0.000 0.787 54 E N 0.313 120.502 120.200 -0.017 0.000 2.338 54 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 54 E C 1.594 178.161 176.600 -0.055 0.000 1.007 54 E CA 0.998 57.386 56.400 -0.020 0.000 0.849 54 E CB -0.901 28.800 29.700 0.001 0.000 0.774 54 E HN 0.110 nan 8.360 nan 0.000 0.506 55 V N 1.140 120.978 119.914 -0.127 0.000 2.575 55 V HA -0.086 4.033 4.120 -0.000 0.000 0.242 55 V C 2.452 178.540 176.094 -0.010 0.000 1.045 55 V CA 0.775 63.008 62.300 -0.110 0.000 1.065 55 V CB -0.249 31.436 31.823 -0.230 0.000 0.717 55 V HN 0.158 nan 8.190 nan 0.000 0.467 56 L N -0.651 120.572 121.223 -0.001 0.000 2.072 56 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 56 L C 1.263 178.161 176.870 0.046 0.000 1.079 56 L CA 0.995 55.852 54.840 0.028 0.000 0.752 56 L CB -0.283 41.798 42.059 0.036 0.000 0.906 56 L HN 0.303 nan 8.230 nan 0.000 0.436 57 Q N 1.315 121.150 119.800 0.058 0.000 2.381 57 Q HA -0.000 4.340 4.340 -0.000 0.000 0.243 57 Q C 1.019 177.097 176.000 0.130 0.000 1.154 57 Q CA -0.314 55.539 55.803 0.083 0.000 0.899 57 Q CB 1.088 29.878 28.738 0.086 0.000 1.396 57 Q HN 0.166 nan 8.270 nan 0.000 0.485 58 L N 4.223 125.523 121.223 0.128 0.000 2.054 58 L HA -0.297 4.043 4.340 -0.000 0.000 0.220 58 L C 1.800 178.859 176.870 0.316 0.000 1.081 58 L CA 2.583 57.535 54.840 0.186 0.000 0.780 58 L CB -0.429 41.701 42.059 0.118 0.000 0.893 58 L HN 0.750 nan 8.230 nan 0.000 0.438 59 D N -1.256 119.301 120.400 0.261 0.000 2.378 59 D HA -0.200 4.439 4.640 -0.000 0.000 0.222 59 D C 1.616 178.185 176.300 0.449 0.000 0.980 59 D CA 0.812 55.033 54.000 0.367 0.000 0.907 59 D CB -0.375 40.561 40.800 0.227 0.000 0.899 59 D HN 0.496 nan 8.370 nan 0.000 0.527 60 R N 0.084 120.759 120.500 0.292 0.000 2.334 60 R HA 0.073 4.413 4.340 -0.000 0.000 0.216 60 R C 1.859 178.211 176.300 0.086 0.000 0.905 60 R CA 0.030 56.227 56.100 0.161 0.000 1.064 60 R CB -0.338 30.025 30.300 0.105 0.000 1.046 60 R HN 0.424 nan 8.270 nan 0.000 0.508 61 W N 1.399 122.775 121.300 0.126 0.000 2.305 61 W HA -0.238 4.422 4.660 -0.001 0.000 0.308 61 W C 1.184 177.711 176.519 0.014 0.000 1.226 61 W CA 0.914 58.297 57.345 0.063 0.000 1.253 61 W CB -0.877 28.622 29.460 0.064 0.000 1.146 61 W HN -0.021 nan 8.180 nan 0.000 0.507 62 M N 1.193 120.168 119.600 -1.041 0.000 2.279 62 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 62 M C 1.959 178.004 176.300 -0.424 0.000 1.062 62 M CA 1.999 56.679 55.300 -1.034 0.000 1.099 62 M CB -0.713 31.265 32.600 -1.037 0.000 1.394 62 M HN 0.059 nan 8.290 nan 0.000 0.426 63 E N 0.821 120.867 120.200 -0.257 0.000 2.209 63 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 63 E C 1.911 178.483 176.600 -0.047 0.000 0.993 63 E CA 0.989 57.316 56.400 -0.121 0.000 0.819 63 E CB -0.352 29.312 29.700 -0.060 0.000 0.745 63 E HN 0.576 nan 8.360 nan 0.000 0.477 64 L N 0.620 121.833 121.223 -0.016 0.000 2.217 64 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 64 L C 0.953 177.868 176.870 0.076 0.000 1.107 64 L CA 0.071 54.964 54.840 0.088 0.000 0.783 64 L CB -0.289 41.863 42.059 0.156 0.000 0.919 64 L HN 0.068 nan 8.230 nan 0.000 0.442 65 L N 1.249 122.461 121.223 -0.019 0.000 2.584 65 L HA -0.059 4.281 4.340 -0.000 0.000 0.272 65 L C 0.647 177.519 176.870 0.004 0.000 1.195 65 L CA 0.420 55.247 54.840 -0.022 0.000 0.920 65 L CB -0.157 41.843 42.059 -0.099 0.000 1.173 65 L HN 0.252 nan 8.230 nan 0.000 0.489 66 E N 0.276 120.498 120.200 0.037 0.000 2.586 66 E HA -0.235 4.115 4.350 -0.000 0.000 0.259 66 E C 0.131 176.737 176.600 0.010 0.000 1.107 66 E CA 0.592 57.005 56.400 0.022 0.000 0.754 66 E CB -1.134 28.572 29.700 0.010 0.000 1.335 66 E HN 0.782 nan 8.360 nan 0.000 0.411 67 S N -1.712 114.006 115.700 0.031 0.000 2.718 67 S HA 0.595 5.065 4.470 -0.000 0.000 0.292 67 S C 1.383 175.968 174.600 -0.025 0.000 1.125 67 S CA -0.305 57.912 58.200 0.027 0.000 1.013 67 S CB 1.590 64.847 63.200 0.097 0.000 1.192 67 S HN 0.210 nan 8.310 nan 0.000 0.535 68 G N -1.120 107.617 108.800 -0.105 0.000 2.848 68 G HA2 0.068 4.028 3.960 -0.000 0.000 0.208 68 G HA3 0.068 4.028 3.960 -0.000 0.000 0.208 68 G C 0.299 174.952 174.900 -0.411 0.000 1.152 68 G CA 0.143 45.081 45.100 -0.271 0.000 0.789 68 G HN 0.706 nan 8.290 nan 0.000 0.531 69 Y N -0.377 119.883 120.300 -0.068 0.000 2.485 69 Y HA 0.242 4.792 4.550 -0.000 0.000 0.260 69 Y C 0.357 176.204 175.900 -0.088 0.000 1.173 69 Y CA -0.658 57.394 58.100 -0.080 0.000 1.252 69 Y CB 0.805 39.260 38.460 -0.008 0.000 1.123 69 Y HN 0.056 nan 8.280 nan 0.000 0.524 70 D N -1.300 119.112 120.400 0.019 0.000 2.308 70 D HA 0.064 4.704 4.640 -0.000 0.000 0.242 70 D C 0.045 176.310 176.300 -0.058 0.000 1.059 70 D CA -0.771 53.264 54.000 0.059 0.000 0.830 70 D CB 0.791 41.658 40.800 0.113 0.000 1.161 70 D HN 0.103 nan 8.370 nan 0.000 0.494 71 W N 1.781 123.011 121.300 -0.117 0.000 2.465 71 W HA -0.008 4.651 4.660 -0.001 0.000 0.268 71 W C 0.497 176.710 176.519 -0.510 0.000 1.242 71 W CA 0.314 57.458 57.345 -0.335 0.000 1.248 71 W CB -0.141 29.013 29.460 -0.510 0.000 1.118 71 W HN 0.473 nan 8.180 nan 0.000 0.587 72 D N -0.609 119.720 120.400 -0.118 0.000 3.845 72 D HA -0.244 4.396 4.640 -0.000 0.000 0.227 72 D C -1.532 174.687 176.300 -0.136 0.000 1.092 72 D CA 0.659 54.623 54.000 -0.060 0.000 1.148 72 D CB -1.147 39.653 40.800 -0.001 0.000 0.803 72 D HN 0.090 nan 8.370 nan 0.000 0.395 73 Y N 3.400 123.837 120.300 0.228 0.000 2.417 73 Y HA 0.423 4.973 4.550 -0.001 0.000 0.336 73 Y C -1.640 174.364 175.900 0.174 0.000 0.961 73 Y CA -2.449 55.758 58.100 0.179 0.000 1.215 73 Y CB 1.274 39.828 38.460 0.156 0.000 1.120 73 Y HN 0.136 nan 8.280 nan 0.000 0.499 74 P HA 0.111 nan 4.420 nan 0.000 0.269 74 P C -0.044 177.364 177.300 0.179 0.000 1.209 74 P CA -0.106 63.098 63.100 0.174 0.000 0.776 74 P CB 0.810 32.573 31.700 0.105 0.000 0.876 75 I N -1.459 119.205 120.570 0.156 0.000 2.918 75 I HA 0.493 4.662 4.170 -0.000 0.000 0.316 75 I C 0.194 176.358 176.117 0.077 0.000 1.001 75 I CA -1.071 60.316 61.300 0.146 0.000 1.142 75 I CB 0.940 39.077 38.000 0.227 0.000 1.356 75 I HN 0.078 nan 8.210 nan 0.000 0.524 76 E N 2.464 122.697 120.200 0.054 0.000 2.373 76 E HA 0.315 4.665 4.350 -0.000 0.000 0.263 76 E C -2.315 174.310 176.600 0.041 0.000 1.073 76 E CA -1.679 54.737 56.400 0.027 0.000 0.894 76 E CB 0.129 29.832 29.700 0.005 0.000 1.008 76 E HN 0.431 nan 8.360 nan 0.000 0.420 77 P HA -0.092 nan 4.420 nan 0.000 0.263 77 P C -0.493 176.850 177.300 0.073 0.000 1.175 77 P CA 0.628 63.749 63.100 0.035 0.000 0.761 77 P CB 0.413 32.124 31.700 0.018 0.000 0.794 78 Q N 2.578 122.449 119.800 0.118 0.000 2.325 78 Q HA 0.115 4.455 4.340 -0.000 0.000 0.262 78 Q C 1.088 177.172 176.000 0.140 0.000 0.968 78 Q CA -0.293 55.605 55.803 0.159 0.000 0.877 78 Q CB 1.318 30.221 28.738 0.275 0.000 1.253 78 Q HN 0.489 nan 8.270 nan 0.000 0.448 79 E N 1.528 121.796 120.200 0.113 0.000 2.086 79 E HA -0.239 4.111 4.350 -0.000 0.000 0.200 79 E C 0.709 177.379 176.600 0.118 0.000 1.012 79 E CA 1.478 57.936 56.400 0.097 0.000 0.812 79 E CB 0.190 29.937 29.700 0.078 0.000 0.743 79 E HN 0.368 nan 8.360 nan 0.000 0.453 80 N N -0.556 118.242 118.700 0.163 0.000 2.387 80 N HA 0.161 4.900 4.740 -0.000 0.000 0.259 80 N C -0.756 174.897 175.510 0.239 0.000 1.369 80 N CA 0.254 53.406 53.050 0.169 0.000 0.867 80 N CB 1.131 39.716 38.487 0.163 0.000 1.341 80 N HN 0.145 nan 8.380 nan 0.000 0.495 81 G N -0.445 108.533 108.800 0.296 0.000 2.947 81 G HA2 0.204 4.164 3.960 -0.000 0.000 0.293 81 G HA3 0.204 4.164 3.960 -0.000 0.000 0.293 81 G C -1.557 173.596 174.900 0.422 0.000 1.243 81 G CA -0.594 44.780 45.100 0.456 0.000 0.802 81 G HN 0.176 nan 8.290 nan 0.000 0.560 82 N N 0.224 119.247 118.700 0.538 0.000 2.589 82 N HA 0.309 5.049 4.740 -0.000 0.000 0.232 82 N C 1.084 176.709 175.510 0.191 0.000 1.015 82 N CA -0.185 52.974 53.050 0.183 0.000 0.931 82 N CB 1.271 39.625 38.487 -0.221 0.000 1.150 82 N HN 0.168 nan 8.380 nan 0.000 0.512 83 S N 2.144 117.973 115.700 0.215 0.000 2.465 83 S HA -0.057 4.413 4.470 -0.000 0.000 0.241 83 S C 1.016 175.617 174.600 0.002 0.000 1.000 83 S CA 0.765 59.028 58.200 0.104 0.000 0.964 83 S CB -0.277 62.943 63.200 0.032 0.000 0.763 83 S HN 0.583 nan 8.310 nan 0.000 0.512 84 F N 0.876 120.840 119.950 0.024 0.000 2.797 84 F HA 0.326 4.853 4.527 -0.000 0.000 0.302 84 F C 1.074 176.858 175.800 -0.027 0.000 1.130 84 F CA -0.053 57.945 58.000 -0.003 0.000 1.387 84 F CB -0.132 38.853 39.000 -0.025 0.000 1.107 84 F HN 0.167 nan 8.300 nan 0.000 0.577 85 M N 1.077 120.734 119.600 0.095 0.000 2.240 85 M HA 0.247 4.727 4.480 -0.000 0.000 0.333 85 M C -0.363 175.965 176.300 0.047 0.000 1.110 85 M CA 0.457 55.751 55.300 -0.010 0.000 1.173 85 M CB 0.600 33.113 32.600 -0.146 0.000 1.458 85 M HN -0.030 nan 8.290 nan 0.000 0.458 86 R N 2.395 122.917 120.500 0.036 0.000 2.532 86 R HA 0.311 4.651 4.340 -0.000 0.000 0.297 86 R C -1.112 175.287 176.300 0.165 0.000 0.984 86 R CA -0.823 55.354 56.100 0.128 0.000 0.884 86 R CB 1.318 31.705 30.300 0.144 0.000 1.182 86 R HN 0.648 nan 8.270 nan 0.000 0.442 87 H N 2.101 121.340 119.070 0.282 0.000 3.014 87 H HA 0.204 4.760 4.556 -0.000 0.000 0.266 87 H C -0.024 175.560 175.328 0.425 0.000 1.455 87 H CA -0.183 56.081 56.048 0.360 0.000 1.402 87 H CB 0.614 30.563 29.762 0.312 0.000 1.626 87 H HN 0.677 nan 8.280 nan 0.000 0.520 88 A N 3.882 127.049 122.820 0.577 0.000 2.498 88 A HA 0.339 4.659 4.320 -0.000 0.000 0.239 88 A C 0.404 178.307 177.584 0.532 0.000 1.068 88 A CA 0.088 52.384 52.037 0.431 0.000 0.766 88 A CB 0.241 19.371 19.000 0.217 0.000 1.003 88 A HN 0.650 nan 8.150 nan 0.000 0.497 89 R N 0.566 121.338 120.500 0.453 0.000 2.585 89 R HA 0.507 4.847 4.340 -0.000 0.000 0.288 89 R C -0.448 176.061 176.300 0.347 0.000 1.194 89 R CA 0.420 56.761 56.100 0.402 0.000 1.006 89 R CB 1.238 31.825 30.300 0.478 0.000 1.229 89 R HN 1.128 nan 8.270 nan 0.000 0.412 90 A N 3.355 126.151 122.820 -0.041 0.000 2.477 90 A HA 0.297 4.617 4.320 -0.000 0.000 0.246 90 A C -0.374 177.290 177.584 0.132 0.000 1.078 90 A CA 0.089 52.087 52.037 -0.066 0.000 0.770 90 A CB 0.255 19.024 19.000 -0.385 0.000 1.011 90 A HN 0.581 nan 8.150 nan 0.000 0.494 91 K N 2.050 122.425 120.400 -0.042 0.000 2.478 91 K HA 0.544 4.864 4.320 -0.000 0.000 0.236 91 K C -1.358 175.248 176.600 0.010 0.000 1.021 91 K CA -0.174 55.984 56.287 -0.214 0.000 1.010 91 K CB 0.824 32.800 32.500 -0.873 0.000 1.331 91 K HN 0.714 nan 8.250 nan 0.000 0.470 92 V N 3.205 123.167 119.914 0.079 0.000 2.952 92 V HA 0.081 4.201 4.120 -0.000 0.000 0.262 92 V C -1.544 174.602 176.094 0.087 0.000 1.859 92 V CA -1.031 61.335 62.300 0.111 0.000 0.919 92 V CB 1.791 33.691 31.823 0.128 0.000 1.378 92 V HN 0.610 nan 8.190 nan 0.000 0.440 93 M N 3.694 123.343 119.600 0.081 0.000 2.338 93 M HA 0.322 4.802 4.480 -0.000 0.000 0.360 93 M C 1.394 177.723 176.300 0.049 0.000 1.547 93 M CA 1.794 57.136 55.300 0.071 0.000 1.001 93 M CB -0.749 31.898 32.600 0.077 0.000 2.008 93 M HN 1.576 nan 8.290 nan 0.000 0.464 94 G N 2.116 110.942 108.800 0.043 0.000 2.253 94 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.209 94 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.209 94 G C 0.705 175.620 174.900 0.026 0.000 0.997 94 G CA 0.103 45.218 45.100 0.024 0.000 0.640 94 G HN 1.345 nan 8.290 nan 0.000 0.496 95 G N -0.585 108.239 108.800 0.040 0.000 2.594 95 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.297 95 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.297 95 G C 1.333 176.206 174.900 -0.045 0.000 1.273 95 G CA 1.283 46.405 45.100 0.037 0.000 0.974 95 G HN 1.396 nan 8.290 nan 0.000 0.552 96 C N 1.437 120.690 119.300 -0.079 0.000 2.466 96 C HA 0.227 4.687 4.460 -0.000 0.000 0.283 96 C C 3.141 178.136 174.990 0.008 0.000 1.472 96 C CA 1.699 60.594 59.018 -0.204 0.000 1.765 96 C CB -1.627 26.061 27.740 -0.086 0.000 1.724 96 C HN 1.101 nan 8.230 nan 0.000 0.560 97 S N -0.190 115.523 115.700 0.022 0.000 2.555 97 S HA -0.027 4.443 4.470 -0.000 0.000 0.230 97 S C 1.356 175.981 174.600 0.042 0.000 0.978 97 S CA 1.123 59.347 58.200 0.039 0.000 0.934 97 S CB -0.280 62.939 63.200 0.031 0.000 0.766 97 S HN 0.523 nan 8.310 nan 0.000 0.533 98 S N 0.597 116.324 115.700 0.046 0.000 2.539 98 S HA 0.197 4.667 4.470 -0.000 0.000 0.221 98 S C 0.904 175.592 174.600 0.148 0.000 0.987 98 S CA 0.036 58.269 58.200 0.056 0.000 0.929 98 S CB -0.119 63.090 63.200 0.015 0.000 0.832 98 S HN 1.012 nan 8.310 nan 0.000 0.492 99 H N -0.135 118.969 119.070 0.057 0.000 3.398 99 H HA 0.342 4.898 4.556 -0.000 0.000 0.260 99 H C 0.281 175.676 175.328 0.113 0.000 1.189 99 H CA -0.532 55.589 56.048 0.121 0.000 1.145 99 H CB 0.130 29.969 29.762 0.128 0.000 1.599 99 H HN 0.278 nan 8.280 nan 0.000 0.615 100 N N 1.042 119.878 118.700 0.226 0.000 2.447 100 N HA 0.178 4.918 4.740 -0.000 0.000 0.271 100 N C 0.782 175.960 175.510 -0.552 0.000 1.226 100 N CA 0.053 52.989 53.050 -0.190 0.000 0.980 100 N CB 1.180 39.645 38.487 -0.036 0.000 1.206 100 N HN 0.238 nan 8.380 nan 0.000 0.558 101 A N -0.782 121.468 122.820 -0.949 0.000 2.259 101 A HA 0.207 4.527 4.320 -0.000 0.000 0.208 101 A C 0.881 178.205 177.584 -0.433 0.000 1.201 101 A CA -0.059 51.341 52.037 -1.060 0.000 0.824 101 A CB -1.284 17.054 19.000 -1.102 0.000 0.838 101 A HN 0.848 nan 8.150 nan 0.000 0.485 102 C N -1.702 117.421 119.300 -0.295 0.000 4.326 102 C HA -0.172 4.288 4.460 -0.000 0.000 0.284 102 C C 0.696 175.584 174.990 -0.169 0.000 1.419 102 C CA 0.199 59.120 59.018 -0.162 0.000 1.920 102 C CB -2.880 24.799 27.740 -0.101 0.000 1.306 102 C HN 0.613 nan 8.230 nan 0.000 0.786 103 I N 1.250 121.665 120.570 -0.258 0.000 2.618 103 I HA 0.335 4.504 4.170 -0.000 0.000 0.284 103 I C 0.700 176.643 176.117 -0.289 0.000 1.146 103 I CA 1.061 62.123 61.300 -0.396 0.000 1.425 103 I CB 0.547 38.141 38.000 -0.677 0.000 1.383 103 I HN 0.459 nan 8.210 nan 0.000 0.562 104 A N 7.711 130.321 122.820 -0.350 0.000 2.330 104 A HA 0.823 5.142 4.320 -0.000 0.000 0.313 104 A C -1.018 176.366 177.584 -0.334 0.000 1.124 104 A CA -0.315 51.602 52.037 -0.202 0.000 0.774 104 A CB 0.585 19.532 19.000 -0.089 0.000 1.198 104 A HN 0.581 nan 8.150 nan 0.000 0.465 105 F N 1.147 121.124 119.950 0.045 0.000 2.588 105 F HA 0.429 4.956 4.527 -0.000 0.000 0.318 105 F C -0.819 175.020 175.800 0.065 0.000 1.155 105 F CA -0.510 57.529 58.000 0.066 0.000 0.967 105 F CB 1.565 40.571 39.000 0.010 0.000 1.236 105 F HN 0.677 nan 8.300 nan 0.000 0.455 106 W N 2.982 124.207 121.300 -0.125 0.000 2.193 106 W HA 0.486 5.146 4.660 -0.000 0.000 0.338 106 W C 0.259 176.676 176.519 -0.171 0.000 1.310 106 W CA -0.497 56.506 57.345 -0.571 0.000 1.243 106 W CB 0.133 29.142 29.460 -0.751 0.000 1.165 106 W HN 0.502 nan 8.180 nan 0.000 0.566 107 A N 5.291 128.180 122.820 0.115 0.000 2.340 107 A HA 0.545 4.865 4.320 -0.000 0.000 0.268 107 A C -2.252 175.480 177.584 0.246 0.000 1.100 107 A CA -1.517 50.628 52.037 0.180 0.000 0.803 107 A CB -0.245 18.875 19.000 0.199 0.000 1.043 107 A HN 0.410 nan 8.150 nan 0.000 0.488 108 P HA 0.000 nan 4.420 nan 0.000 0.263 108 P C 0.852 178.276 177.300 0.206 0.000 1.195 108 P CA 0.046 63.249 63.100 0.173 0.000 0.762 108 P CB 0.526 32.265 31.700 0.064 0.000 0.799 109 R N 3.501 124.145 120.500 0.240 0.000 2.140 109 R HA -0.277 4.063 4.340 -0.000 0.000 0.250 109 R C 0.855 177.135 176.300 -0.033 0.000 1.150 109 R CA 1.985 58.078 56.100 -0.012 0.000 0.966 109 R CB -0.957 29.187 30.300 -0.260 0.000 0.869 109 R HN 0.367 nan 8.270 nan 0.000 0.445 110 E N 0.730 120.928 120.200 -0.003 0.000 2.274 110 E HA -0.100 4.249 4.350 -0.000 0.000 0.194 110 E C 1.370 177.994 176.600 0.040 0.000 0.996 110 E CA 1.199 57.600 56.400 0.001 0.000 0.840 110 E CB -0.042 29.656 29.700 -0.005 0.000 0.772 110 E HN 0.436 nan 8.360 nan 0.000 0.491 111 D N 0.075 120.511 120.400 0.059 0.000 2.091 111 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 111 D C 1.715 177.934 176.300 -0.134 0.000 0.980 111 D CA 0.716 54.774 54.000 0.096 0.000 0.831 111 D CB 0.009 40.907 40.800 0.163 0.000 0.987 111 D HN 0.098 nan 8.370 nan 0.000 0.460 112 L N 1.509 122.582 121.223 -0.250 0.000 2.083 112 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 112 L C 1.787 178.554 176.870 -0.173 0.000 1.083 112 L CA 1.468 56.028 54.840 -0.467 0.000 0.752 112 L CB -0.825 41.096 42.059 -0.230 0.000 0.899 112 L HN -0.037 nan 8.230 nan 0.000 0.433 113 D N -0.552 119.815 120.400 -0.055 0.000 2.264 113 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 113 D C 1.960 178.317 176.300 0.096 0.000 0.966 113 D CA 0.635 54.641 54.000 0.011 0.000 0.864 113 D CB 0.223 41.005 40.800 -0.030 0.000 0.933 113 D HN 0.494 nan 8.370 nan 0.000 0.499 114 E N -0.338 119.954 120.200 0.152 0.000 2.216 114 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 114 E C 1.841 178.716 176.600 0.457 0.000 0.988 114 E CA 0.203 56.736 56.400 0.222 0.000 0.834 114 E CB -0.030 29.836 29.700 0.277 0.000 0.772 114 E HN 0.322 nan 8.360 nan 0.000 0.479 115 W N 1.784 123.257 121.300 0.289 0.000 2.321 115 W HA -0.179 4.481 4.660 -0.000 0.000 0.306 115 W C 2.165 178.820 176.519 0.225 0.000 1.217 115 W CA 0.969 58.495 57.345 0.302 0.000 1.257 115 W CB -0.695 28.883 29.460 0.195 0.000 1.145 115 W HN 0.190 nan 8.180 nan 0.000 0.509 116 E N -0.781 119.660 120.200 0.403 0.000 2.102 116 E HA 0.001 4.350 4.350 -0.000 0.000 0.190 116 E C 2.167 178.850 176.600 0.138 0.000 0.971 116 E CA 1.025 57.580 56.400 0.257 0.000 0.821 116 E CB -0.083 29.750 29.700 0.222 0.000 0.777 116 E HN 0.053 nan 8.360 nan 0.000 0.460 117 A N 0.574 123.447 122.820 0.089 0.000 2.081 117 A HA 0.030 4.349 4.320 -0.000 0.000 0.214 117 A C 2.010 179.550 177.584 -0.074 0.000 1.158 117 A CA 0.573 52.615 52.037 0.008 0.000 0.724 117 A CB 0.101 19.100 19.000 -0.002 0.000 0.826 117 A HN -0.013 nan 8.150 nan 0.000 0.463 118 K N -2.116 118.182 120.400 -0.169 0.000 2.350 118 K HA 0.177 4.497 4.320 -0.000 0.000 0.196 118 K C 0.148 176.412 176.600 -0.559 0.000 1.084 118 K CA 0.562 56.567 56.287 -0.470 0.000 0.967 118 K CB 0.406 32.423 32.500 -0.805 0.000 0.950 118 K HN 0.601 nan 8.250 nan 0.000 0.512 119 Y N -0.789 119.539 120.300 0.047 0.000 2.588 119 Y HA 0.200 4.750 4.550 -0.000 0.000 0.247 119 Y C 1.005 176.897 175.900 -0.014 0.000 1.157 119 Y CA 0.087 58.183 58.100 -0.007 0.000 1.215 119 Y CB 1.507 39.940 38.460 -0.044 0.000 1.245 119 Y HN 0.204 nan 8.280 nan 0.000 0.534 120 G N 1.174 110.049 108.800 0.124 0.000 2.155 120 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 120 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 120 G C 0.410 175.377 174.900 0.111 0.000 0.983 120 G CA 0.183 45.338 45.100 0.092 0.000 0.676 120 G HN 0.563 nan 8.290 nan 0.000 0.528 121 A N 1.171 124.084 122.820 0.155 0.000 2.981 121 A HA 0.591 4.911 4.320 -0.000 0.000 0.280 121 A C 1.090 178.874 177.584 0.333 0.000 1.743 121 A CA 0.905 53.050 52.037 0.181 0.000 1.430 121 A CB -0.377 18.667 19.000 0.072 0.000 1.085 121 A HN 0.876 nan 8.150 nan 0.000 0.597 122 T N 1.114 115.810 114.554 0.237 0.000 2.777 122 T HA 0.267 4.617 4.350 -0.000 0.000 0.273 122 T C 1.575 176.426 174.700 0.251 0.000 1.016 122 T CA 1.797 64.016 62.100 0.199 0.000 1.156 122 T CB 0.112 69.057 68.868 0.128 0.000 1.019 122 T HN 1.844 nan 8.240 nan 0.000 0.503 123 G N 2.667 111.563 108.800 0.160 0.000 2.162 123 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 123 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 123 G C -0.156 174.736 174.900 -0.013 0.000 0.976 123 G CA -0.299 44.826 45.100 0.043 0.000 0.655 123 G HN 0.734 nan 8.290 nan 0.000 0.533 124 W N 1.789 123.154 121.300 0.108 0.000 2.282 124 W HA 0.631 5.291 4.660 -0.001 0.000 0.322 124 W C 0.347 176.935 176.519 0.116 0.000 1.011 124 W CA -0.174 57.263 57.345 0.154 0.000 1.392 124 W CB 0.763 30.402 29.460 0.299 0.000 1.215 124 W HN 0.579 nan 8.180 nan 0.000 0.394 125 N N 0.153 118.957 118.700 0.173 0.000 3.116 125 N HA 0.484 5.224 4.740 -0.000 0.000 0.244 125 N C 0.218 175.722 175.510 -0.009 0.000 1.485 125 N CA -0.375 52.708 53.050 0.055 0.000 0.884 125 N CB 0.401 38.907 38.487 0.031 0.000 1.415 125 N HN 0.107 nan 8.380 nan 0.000 0.524 126 A N -0.132 122.635 122.820 -0.089 0.000 1.972 126 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 126 A C 1.501 179.016 177.584 -0.115 0.000 1.169 126 A CA 1.540 53.477 52.037 -0.168 0.000 0.635 126 A CB -0.880 17.753 19.000 -0.611 0.000 0.810 126 A HN 0.751 nan 8.150 nan 0.000 0.446 127 E N -0.289 119.834 120.200 -0.128 0.000 2.110 127 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 127 E C 2.287 178.881 176.600 -0.010 0.000 0.988 127 E CA 0.992 57.349 56.400 -0.072 0.000 0.804 127 E CB -0.254 29.402 29.700 -0.074 0.000 0.745 127 E HN 0.655 nan 8.360 nan 0.000 0.458 128 A N 1.410 124.205 122.820 -0.042 0.000 1.897 128 A HA 0.034 4.354 4.320 -0.000 0.000 0.215 128 A C 2.359 179.901 177.584 -0.071 0.000 1.181 128 A CA 1.399 53.376 52.037 -0.099 0.000 0.620 128 A CB -0.364 18.506 19.000 -0.217 0.000 0.821 128 A HN 0.265 nan 8.150 nan 0.000 0.443 129 A N -1.679 121.151 122.820 0.016 0.000 1.968 129 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 129 A C 2.089 179.681 177.584 0.013 0.000 1.169 129 A CA 0.793 52.792 52.037 -0.065 0.000 0.638 129 A CB -0.764 18.243 19.000 0.011 0.000 0.812 129 A HN 0.770 nan 8.150 nan 0.000 0.446 130 W N 0.562 121.842 121.300 -0.034 0.000 2.354 130 W HA -0.128 4.531 4.660 -0.000 0.000 0.315 130 W C -0.766 175.787 176.519 0.055 0.000 1.206 130 W CA 1.796 59.212 57.345 0.119 0.000 1.290 130 W CB -1.156 28.432 29.460 0.214 0.000 1.152 130 W HN 0.289 nan 8.180 nan 0.000 0.489 131 P HA -0.176 nan 4.420 nan 0.000 0.216 131 P C 1.608 178.908 177.300 -0.001 0.000 1.150 131 P CA 1.698 64.862 63.100 0.107 0.000 0.837 131 P CB -0.406 31.334 31.700 0.067 0.000 0.786 132 L N -2.748 118.412 121.223 -0.104 0.000 2.056 132 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 132 L C 2.584 179.321 176.870 -0.221 0.000 1.078 132 L CA 1.492 56.224 54.840 -0.179 0.000 0.749 132 L CB -1.276 40.624 42.059 -0.266 0.000 0.901 132 L HN -0.048 nan 8.230 nan 0.000 0.433 133 Y N 0.446 120.510 120.300 -0.393 0.000 2.224 133 Y HA -0.272 4.278 4.550 -0.000 0.000 0.289 133 Y C 2.803 178.494 175.900 -0.348 0.000 1.146 133 Y CA 1.241 58.944 58.100 -0.663 0.000 1.182 133 Y CB -0.109 37.298 38.460 -1.755 0.000 0.983 133 Y HN 0.113 nan 8.280 nan 0.000 0.524 134 K N 0.872 121.266 120.400 -0.011 0.000 2.097 134 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 134 K C 2.290 178.940 176.600 0.083 0.000 1.049 134 K CA 1.448 57.823 56.287 0.147 0.000 0.933 134 K CB -0.117 32.491 32.500 0.180 0.000 0.717 134 K HN 0.176 nan 8.250 nan 0.000 0.442 135 R N 0.825 121.346 120.500 0.034 0.000 2.153 135 R HA -0.062 4.277 4.340 -0.000 0.000 0.218 135 R C 2.166 178.482 176.300 0.027 0.000 1.072 135 R CA 1.083 57.199 56.100 0.027 0.000 0.990 135 R CB -0.102 30.206 30.300 0.013 0.000 0.889 135 R HN 0.293 nan 8.270 nan 0.000 0.452 136 L N -0.411 120.831 121.223 0.033 0.000 2.446 136 L HA 0.212 4.551 4.340 -0.000 0.000 0.219 136 L C 0.409 177.282 176.870 0.005 0.000 1.116 136 L CA 0.325 55.187 54.840 0.038 0.000 0.844 136 L CB -0.225 41.904 42.059 0.116 0.000 0.970 136 L HN 0.058 nan 8.230 nan 0.000 0.457 137 E N -0.192 120.033 120.200 0.043 0.000 2.214 137 E HA 0.419 4.769 4.350 -0.000 0.000 0.274 137 E C -0.958 175.643 176.600 0.002 0.000 0.977 137 E CA -0.775 55.651 56.400 0.043 0.000 0.827 137 E CB 1.258 31.027 29.700 0.116 0.000 1.130 137 E HN 0.014 nan 8.360 nan 0.000 0.394 138 T N 2.944 117.466 114.554 -0.053 0.000 2.874 138 T HA 0.222 4.571 4.350 -0.000 0.000 0.321 138 T C -0.711 173.880 174.700 -0.182 0.000 1.075 138 T CA -0.714 61.300 62.100 -0.144 0.000 0.966 138 T CB 0.156 68.851 68.868 -0.290 0.000 1.001 138 T HN 0.381 nan 8.240 nan 0.000 0.476 139 N N 2.308 120.906 118.700 -0.169 0.000 2.421 139 N HA 0.109 4.849 4.740 -0.000 0.000 0.285 139 N C 1.183 176.538 175.510 -0.258 0.000 1.027 139 N CA -0.327 52.569 53.050 -0.256 0.000 0.918 139 N CB 1.762 39.969 38.487 -0.466 0.000 1.152 139 N HN 0.717 nan 8.380 nan 0.000 0.485 140 E N 2.499 122.566 120.200 -0.222 0.000 2.114 140 E HA -0.236 4.113 4.350 -0.000 0.000 0.199 140 E C -0.033 176.472 176.600 -0.160 0.000 1.008 140 E CA 1.774 58.074 56.400 -0.167 0.000 0.810 140 E CB 0.164 29.789 29.700 -0.125 0.000 0.739 140 E HN 0.528 nan 8.360 nan 0.000 0.456 141 D N 0.521 120.789 120.400 -0.221 0.000 2.363 141 D HA 0.085 4.724 4.640 -0.000 0.000 0.220 141 D C 0.179 176.438 176.300 -0.067 0.000 0.994 141 D CA 0.802 54.723 54.000 -0.132 0.000 0.890 141 D CB -0.249 40.504 40.800 -0.079 0.000 0.906 141 D HN 0.345 nan 8.370 nan 0.000 0.530 142 A N 0.256 123.002 122.820 -0.125 0.000 2.583 142 A HA 0.460 4.780 4.320 -0.000 0.000 0.231 142 A C 1.001 178.567 177.584 -0.030 0.000 1.065 142 A CA 0.950 52.961 52.037 -0.044 0.000 0.760 142 A CB 0.116 19.082 19.000 -0.057 0.000 1.001 142 A HN 0.303 nan 8.150 nan 0.000 0.509 143 G N 0.437 109.227 108.800 -0.017 0.000 2.339 143 G HA2 0.384 4.344 3.960 -0.000 0.000 0.302 143 G HA3 0.384 4.344 3.960 -0.000 0.000 0.302 143 G C -2.609 172.288 174.900 -0.005 0.000 1.425 143 G CA -0.042 45.050 45.100 -0.013 0.000 0.899 143 G HN 0.326 nan 8.290 nan 0.000 0.619 144 P HA 0.027 nan 4.420 nan 0.000 0.220 144 P C 1.170 178.476 177.300 0.010 0.000 1.148 144 P CA 1.653 64.757 63.100 0.006 0.000 0.803 144 P CB 0.130 31.833 31.700 0.004 0.000 0.782 145 D N -0.808 119.596 120.400 0.007 0.000 2.336 145 D HA 0.118 4.758 4.640 -0.000 0.000 0.229 145 D C 0.329 176.641 176.300 0.020 0.000 1.061 145 D CA -0.182 53.824 54.000 0.011 0.000 0.875 145 D CB -0.453 40.349 40.800 0.004 0.000 0.904 145 D HN 0.050 nan 8.370 nan 0.000 0.525 146 A N 0.980 123.811 122.820 0.018 0.000 3.399 146 A HA 0.340 4.660 4.320 -0.000 0.000 0.262 146 A C -2.013 175.546 177.584 -0.041 0.000 1.145 146 A CA -0.772 51.277 52.037 0.020 0.000 0.916 146 A CB 0.747 19.749 19.000 0.003 0.000 1.360 146 A HN -0.033 nan 8.150 nan 0.000 0.628 147 P HA -0.228 nan 4.420 nan 0.000 0.223 147 P C 1.118 178.442 177.300 0.041 0.000 1.144 147 P CA 1.614 64.736 63.100 0.038 0.000 0.783 147 P CB -0.271 31.474 31.700 0.074 0.000 0.771 148 H N -2.484 116.581 119.070 -0.008 0.000 2.436 148 H HA 0.000 4.556 4.556 -0.000 0.000 0.294 148 H C 0.546 175.936 175.328 0.103 0.000 1.048 148 H CA 0.357 56.431 56.048 0.043 0.000 1.353 148 H CB -1.300 28.443 29.762 -0.032 0.000 1.414 148 H HN 0.133 nan 8.280 nan 0.000 0.536 149 H N 1.435 120.056 119.070 -0.750 0.000 2.815 149 H HA 0.245 4.800 4.556 -0.000 0.000 0.350 149 H C 0.647 175.930 175.328 -0.075 0.000 1.080 149 H CA 0.622 56.442 56.048 -0.381 0.000 1.433 149 H CB 0.753 30.231 29.762 -0.473 0.000 1.432 149 H HN 0.489 nan 8.280 nan 0.000 0.592 150 G N 0.949 109.866 108.800 0.195 0.000 2.476 150 G HA2 0.178 4.137 3.960 -0.000 0.000 0.269 150 G HA3 0.178 4.137 3.960 -0.000 0.000 0.269 150 G C 0.280 175.191 174.900 0.017 0.000 1.195 150 G CA -0.495 44.663 45.100 0.096 0.000 0.843 150 G HN 0.712 nan 8.290 nan 0.000 0.545 151 D N -1.456 118.941 120.400 -0.004 0.000 2.474 151 D HA 0.045 4.684 4.640 -0.000 0.000 0.213 151 D C 1.460 177.729 176.300 -0.051 0.000 1.120 151 D CA 0.183 54.157 54.000 -0.044 0.000 0.836 151 D CB 0.579 41.356 40.800 -0.037 0.000 1.019 151 D HN 0.230 nan 8.370 nan 0.000 0.507 152 S N -0.445 115.238 115.700 -0.027 0.000 2.559 152 S HA 0.389 4.859 4.470 -0.000 0.000 0.226 152 S C 1.094 175.681 174.600 -0.022 0.000 1.000 152 S CA -0.247 57.940 58.200 -0.023 0.000 0.948 152 S CB 1.016 64.211 63.200 -0.008 0.000 0.870 152 S HN 0.429 nan 8.310 nan 0.000 0.497 153 G N 2.658 111.443 108.800 -0.025 0.000 2.503 153 G HA2 0.397 4.357 3.960 -0.000 0.000 0.257 153 G HA3 0.397 4.357 3.960 -0.000 0.000 0.257 153 G C -1.934 172.938 174.900 -0.045 0.000 1.214 153 G CA -1.273 43.807 45.100 -0.034 0.000 0.839 153 G HN -0.005 nan 8.290 nan 0.000 0.559 154 P HA -0.086 nan 4.420 nan 0.000 0.217 154 P C 0.479 177.675 177.300 -0.174 0.000 1.148 154 P CA 0.678 63.624 63.100 -0.256 0.000 0.828 154 P CB 0.104 31.406 31.700 -0.663 0.000 0.783 155 V N 0.571 120.405 119.914 -0.134 0.000 2.383 155 V HA 0.146 4.265 4.120 -0.000 0.000 0.275 155 V C 0.039 176.207 176.094 0.124 0.000 1.036 155 V CA -0.638 61.641 62.300 -0.036 0.000 0.889 155 V CB 0.149 31.946 31.823 -0.043 0.000 0.985 155 V HN 0.051 nan 8.190 nan 0.000 0.459 156 H N 5.051 124.070 119.070 -0.086 0.000 2.723 156 H HA 0.495 5.051 4.556 -0.000 0.000 0.294 156 H C -0.249 175.047 175.328 -0.054 0.000 1.079 156 H CA -0.395 55.613 56.048 -0.067 0.000 1.411 156 H CB 0.593 30.318 29.762 -0.062 0.000 1.439 156 H HN 0.448 nan 8.280 nan 0.000 0.474 157 L N 5.260 126.486 121.223 0.005 0.000 2.317 157 L HA 0.509 4.849 4.340 -0.000 0.000 0.281 157 L C 0.175 177.011 176.870 -0.058 0.000 1.024 157 L CA -0.706 54.121 54.840 -0.021 0.000 0.810 157 L CB 1.204 43.242 42.059 -0.036 0.000 1.240 157 L HN 0.625 nan 8.230 nan 0.000 0.427 158 M N 1.274 120.855 119.600 -0.032 0.000 2.619 158 M HA 0.560 5.039 4.480 -0.000 0.000 0.297 158 M C -1.181 175.110 176.300 -0.015 0.000 1.229 158 M CA -0.875 54.402 55.300 -0.038 0.000 0.860 158 M CB 2.120 34.708 32.600 -0.020 0.000 1.741 158 M HN 0.256 nan 8.290 nan 0.000 0.462 159 N N 1.234 119.921 118.700 -0.022 0.000 2.514 159 N HA 0.320 5.059 4.740 -0.000 0.000 0.277 159 N C -0.821 174.691 175.510 0.004 0.000 1.126 159 N CA -0.413 52.641 53.050 0.006 0.000 0.978 159 N CB 1.810 40.284 38.487 -0.021 0.000 1.106 159 N HN 0.541 nan 8.380 nan 0.000 0.461 160 V N 4.267 124.218 119.914 0.061 0.000 2.493 160 V HA 0.056 4.176 4.120 -0.000 0.000 0.292 160 V C -1.806 174.208 176.094 -0.133 0.000 1.016 160 V CA -0.915 61.409 62.300 0.040 0.000 1.097 160 V CB 0.127 32.079 31.823 0.216 0.000 0.947 160 V HN 0.528 nan 8.190 nan 0.000 0.479 161 P HA 0.149 nan 4.420 nan 0.000 0.266 161 P C -2.338 174.673 177.300 -0.482 0.000 1.215 161 P CA -1.230 61.717 63.100 -0.255 0.000 0.763 161 P CB 0.036 31.641 31.700 -0.159 0.000 0.806 162 P HA 0.020 nan 4.420 nan 0.000 0.230 162 P C 0.514 177.524 177.300 -0.483 0.000 1.791 162 P CA 0.070 62.459 63.100 -1.185 0.000 1.020 162 P CB 0.005 31.104 31.700 -1.003 0.000 1.977 163 K N 0.417 120.642 120.400 -0.293 0.000 2.262 163 K HA -0.017 4.303 4.320 -0.000 0.000 0.200 163 K C 0.142 176.721 176.600 -0.035 0.000 1.049 163 K CA 0.279 56.492 56.287 -0.123 0.000 0.979 163 K CB -0.127 32.318 32.500 -0.092 0.000 0.773 163 K HN 0.040 nan 8.250 nan 0.000 0.474 164 D N 3.839 124.256 120.400 0.028 0.000 2.342 164 D HA 0.046 4.686 4.640 -0.000 0.000 0.260 164 D C -1.473 174.835 176.300 0.014 0.000 1.278 164 D CA -2.208 51.827 54.000 0.059 0.000 0.910 164 D CB 1.524 42.405 40.800 0.135 0.000 1.079 164 D HN 0.063 nan 8.370 nan 0.000 0.496 165 P HA -0.116 nan 4.420 nan 0.000 0.218 165 P C 1.041 178.185 177.300 -0.260 0.000 1.149 165 P CA 0.908 64.008 63.100 -0.001 0.000 0.817 165 P CB 0.177 31.999 31.700 0.204 0.000 0.785 166 T N -0.900 113.221 114.554 -0.721 0.000 2.915 166 T HA -0.016 4.334 4.350 -0.000 0.000 0.269 166 T C 2.103 176.250 174.700 -0.921 0.000 1.071 166 T CA 1.560 62.831 62.100 -1.382 0.000 1.132 166 T CB -0.909 67.052 68.868 -1.511 0.000 0.878 166 T HN 0.199 nan 8.240 nan 0.000 0.479 167 G N 1.294 109.756 108.800 -0.564 0.000 2.425 167 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.213 167 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.213 167 G C 1.671 176.327 174.900 -0.405 0.000 1.201 167 G CA 0.590 45.323 45.100 -0.613 0.000 0.799 167 G HN 0.400 nan 8.290 nan 0.000 0.534 168 V N 1.902 121.778 119.914 -0.062 0.000 2.324 168 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 168 V C 3.329 179.359 176.094 -0.107 0.000 1.060 168 V CA 2.158 64.470 62.300 0.020 0.000 1.042 168 V CB -0.941 30.919 31.823 0.062 0.000 0.650 168 V HN 0.471 nan 8.190 nan 0.000 0.450 169 A N -0.547 122.167 122.820 -0.178 0.000 1.969 169 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 169 A C 2.158 179.601 177.584 -0.236 0.000 1.169 169 A CA 1.934 53.880 52.037 -0.152 0.000 0.635 169 A CB -0.440 18.510 19.000 -0.084 0.000 0.810 169 A HN 0.492 nan 8.150 nan 0.000 0.445 170 L N -1.093 119.883 121.223 -0.413 0.000 2.109 170 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 170 L C 2.011 178.701 176.870 -0.300 0.000 1.086 170 L CA 1.095 55.679 54.840 -0.426 0.000 0.760 170 L CB -0.260 41.370 42.059 -0.716 0.000 0.910 170 L HN 0.217 nan 8.230 nan 0.000 0.437 171 L N -0.249 120.801 121.223 -0.288 0.000 2.046 171 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 171 L C 2.136 178.933 176.870 -0.121 0.000 1.077 171 L CA 1.562 56.287 54.840 -0.191 0.000 0.747 171 L CB -1.373 40.597 42.059 -0.149 0.000 0.896 171 L HN 0.304 nan 8.230 nan 0.000 0.432 172 D N -0.539 119.797 120.400 -0.107 0.000 2.144 172 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 172 D C 2.229 178.487 176.300 -0.070 0.000 0.984 172 D CA 1.365 55.323 54.000 -0.070 0.000 0.834 172 D CB -0.060 40.711 40.800 -0.049 0.000 0.955 172 D HN 0.301 nan 8.370 nan 0.000 0.465 173 A N -0.030 122.733 122.820 -0.096 0.000 1.969 173 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 173 A C 2.435 179.979 177.584 -0.067 0.000 1.169 173 A CA 1.052 53.042 52.037 -0.079 0.000 0.635 173 A CB -0.902 18.038 19.000 -0.100 0.000 0.810 173 A HN 0.343 nan 8.150 nan 0.000 0.445 174 C N -0.826 118.424 119.300 -0.084 0.000 2.432 174 C HA -0.098 4.361 4.460 -0.000 0.000 0.277 174 C C 2.646 177.612 174.990 -0.040 0.000 1.249 174 C CA 1.270 60.251 59.018 -0.062 0.000 1.725 174 C CB -1.222 26.470 27.740 -0.081 0.000 2.028 174 C HN 0.700 nan 8.230 nan 0.000 0.477 175 E N -0.017 120.157 120.200 -0.043 0.000 2.118 175 E HA -0.271 4.078 4.350 -0.000 0.000 0.195 175 E C 2.197 178.785 176.600 -0.021 0.000 0.992 175 E CA 1.248 57.630 56.400 -0.029 0.000 0.804 175 E CB -0.184 29.497 29.700 -0.031 0.000 0.741 175 E HN 0.663 nan 8.360 nan 0.000 0.458 176 Q N -0.685 119.100 119.800 -0.024 0.000 2.226 176 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 176 Q C 1.440 177.434 176.000 -0.010 0.000 0.975 176 Q CA 1.100 56.893 55.803 -0.017 0.000 0.866 176 Q CB 0.144 28.871 28.738 -0.019 0.000 0.915 176 Q HN 0.175 nan 8.270 nan 0.000 0.440 177 A N -0.654 122.160 122.820 -0.010 0.000 2.379 177 A HA 0.420 4.739 4.320 -0.000 0.000 0.236 177 A C 1.132 178.719 177.584 0.004 0.000 1.272 177 A CA 0.480 52.517 52.037 -0.001 0.000 0.886 177 A CB -0.032 18.969 19.000 0.001 0.000 0.962 177 A HN 0.364 nan 8.150 nan 0.000 0.504 178 G N -0.462 108.339 108.800 0.001 0.000 2.137 178 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.237 178 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.237 178 G C -0.056 174.850 174.900 0.011 0.000 1.002 178 G CA 0.288 45.391 45.100 0.006 0.000 0.702 178 G HN 0.512 nan 8.290 nan 0.000 0.515 179 I N 1.512 122.085 120.570 0.005 0.000 2.359 179 I HA 0.310 4.480 4.170 -0.000 0.000 0.284 179 I C -2.103 174.013 176.117 -0.002 0.000 1.018 179 I CA -2.435 58.872 61.300 0.012 0.000 1.173 179 I CB 1.897 39.905 38.000 0.014 0.000 1.326 179 I HN -0.127 nan 8.210 nan 0.000 0.462 180 P HA 0.252 nan 4.420 nan 0.000 0.274 180 P C -0.569 176.713 177.300 -0.030 0.000 1.256 180 P CA -0.650 62.441 63.100 -0.015 0.000 0.795 180 P CB 0.572 32.265 31.700 -0.011 0.000 1.038 181 R N 0.488 120.959 120.500 -0.049 0.000 2.537 181 R HA 0.530 4.870 4.340 -0.000 0.000 0.280 181 R C 0.071 176.314 176.300 -0.096 0.000 1.058 181 R CA 0.158 56.211 56.100 -0.079 0.000 1.057 181 R CB 0.179 30.437 30.300 -0.071 0.000 0.973 181 R HN 0.543 nan 8.270 nan 0.000 0.438 182 A N 2.635 125.352 122.820 -0.172 0.000 2.483 182 A HA 0.572 4.891 4.320 -0.000 0.000 0.286 182 A C -1.207 176.165 177.584 -0.354 0.000 1.207 182 A CA -0.718 51.200 52.037 -0.197 0.000 0.764 182 A CB 1.615 20.538 19.000 -0.129 0.000 1.341 182 A HN 0.602 nan 8.150 nan 0.000 0.428 183 K N 0.320 120.551 120.400 -0.281 0.000 2.324 183 K HA 0.640 4.959 4.320 -0.000 0.000 0.253 183 K C -1.685 174.816 176.600 -0.165 0.000 0.932 183 K CA -0.361 55.771 56.287 -0.260 0.000 0.799 183 K CB 1.039 33.477 32.500 -0.102 0.000 1.154 183 K HN 0.555 nan 8.250 nan 0.000 0.425 184 F N 2.527 122.546 119.950 0.116 0.000 2.377 184 F HA 0.188 4.714 4.527 -0.000 0.000 0.328 184 F C 0.792 176.637 175.800 0.075 0.000 1.094 184 F CA -0.635 57.469 58.000 0.172 0.000 1.093 184 F CB 0.983 40.132 39.000 0.247 0.000 1.214 184 F HN 0.697 nan 8.300 nan 0.000 0.518 185 N N 0.064 118.936 118.700 0.287 0.000 2.727 185 N HA -0.190 4.549 4.740 -0.000 0.000 0.249 185 N C 0.880 176.221 175.510 -0.281 0.000 1.048 185 N CA 1.159 54.151 53.050 -0.097 0.000 0.714 185 N CB -1.745 36.641 38.487 -0.169 0.000 0.959 185 N HN 0.835 nan 8.380 nan 0.000 0.544 186 T N -4.604 109.844 114.554 -0.175 0.000 3.088 186 T HA 0.326 4.676 4.350 -0.000 0.000 0.259 186 T C 1.595 175.941 174.700 -0.590 0.000 1.122 186 T CA 1.335 63.276 62.100 -0.266 0.000 1.095 186 T CB 0.416 69.218 68.868 -0.110 0.000 0.930 186 T HN 0.873 nan 8.240 nan 0.000 0.508 187 G N 0.249 108.764 108.800 -0.474 0.000 2.234 187 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.235 187 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.235 187 G C 0.216 175.145 174.900 0.048 0.000 0.997 187 G CA 0.095 45.098 45.100 -0.162 0.000 0.623 187 G HN 0.735 nan 8.290 nan 0.000 0.514 188 T N 2.043 116.581 114.554 -0.028 0.000 2.823 188 T HA 0.587 4.936 4.350 -0.000 0.000 0.279 188 T C 0.254 174.963 174.700 0.015 0.000 0.998 188 T CA 0.237 62.338 62.100 0.000 0.000 0.994 188 T CB 1.660 70.512 68.868 -0.026 0.000 0.960 188 T HN 0.209 nan 8.240 nan 0.000 0.448 189 T N 2.714 117.274 114.554 0.009 0.000 2.901 189 T HA 0.250 4.600 4.350 -0.000 0.000 0.301 189 T C 0.263 174.938 174.700 -0.042 0.000 1.012 189 T CA -0.359 61.726 62.100 -0.024 0.000 1.135 189 T CB 0.455 69.303 68.868 -0.033 0.000 0.936 189 T HN 0.308 nan 8.240 nan 0.000 0.539 190 V N 5.389 125.247 119.914 -0.093 0.000 2.320 190 V HA 0.101 4.221 4.120 -0.000 0.000 0.265 190 V C 1.152 177.188 176.094 -0.096 0.000 1.048 190 V CA -0.177 62.096 62.300 -0.045 0.000 0.865 190 V CB 0.718 32.594 31.823 0.089 0.000 1.043 190 V HN 0.842 nan 8.190 nan 0.000 0.474 191 V N 3.303 123.212 119.914 -0.009 0.000 2.500 191 V HA 0.080 4.200 4.120 -0.000 0.000 0.243 191 V C 0.904 177.065 176.094 0.113 0.000 1.039 191 V CA 1.029 63.345 62.300 0.027 0.000 1.053 191 V CB -0.230 31.606 31.823 0.022 0.000 0.695 191 V HN 0.854 nan 8.190 nan 0.000 0.463 192 N N 0.484 119.249 118.700 0.108 0.000 2.531 192 N HA 0.555 5.295 4.740 -0.000 0.000 0.268 192 N C -0.596 174.986 175.510 0.121 0.000 1.023 192 N CA 0.595 53.716 53.050 0.119 0.000 0.896 192 N CB 1.361 39.891 38.487 0.071 0.000 1.233 192 N HN 0.436 nan 8.380 nan 0.000 0.512 193 G N 0.867 109.771 108.800 0.174 0.000 2.351 193 G HA2 0.607 4.567 3.960 -0.000 0.000 0.296 193 G HA3 0.607 4.567 3.960 -0.000 0.000 0.296 193 G C -2.008 173.038 174.900 0.244 0.000 1.685 193 G CA -0.221 44.971 45.100 0.153 0.000 0.936 193 G HN 0.682 nan 8.290 nan 0.000 0.714 194 A N 1.214 124.090 122.820 0.094 0.000 2.459 194 A HA 0.908 5.228 4.320 -0.000 0.000 0.296 194 A C -0.718 176.820 177.584 -0.077 0.000 1.039 194 A CA -0.613 51.458 52.037 0.056 0.000 0.698 194 A CB 2.274 21.248 19.000 -0.043 0.000 1.261 194 A HN 1.203 nan 8.150 nan 0.000 0.405 195 N N 0.001 118.663 118.700 -0.063 0.000 3.243 195 N HA 0.583 5.322 4.740 -0.000 0.000 0.280 195 N C -1.329 174.090 175.510 -0.153 0.000 1.545 195 N CA -0.836 52.124 53.050 -0.151 0.000 0.854 195 N CB 0.574 38.883 38.487 -0.296 0.000 1.612 195 N HN 0.365 nan 8.380 nan 0.000 0.577 196 F N 1.185 121.053 119.950 -0.137 0.000 2.563 196 F HA 0.253 4.780 4.527 -0.000 0.000 0.363 196 F C 0.808 176.620 175.800 0.019 0.000 1.123 196 F CA 0.349 58.271 58.000 -0.131 0.000 1.307 196 F CB 0.173 39.138 39.000 -0.058 0.000 1.115 196 F HN 0.219 nan 8.300 nan 0.000 0.592 197 F N 1.390 121.552 119.950 0.354 0.000 2.406 197 F HA 0.182 4.709 4.527 -0.000 0.000 0.327 197 F C 0.713 176.581 175.800 0.113 0.000 1.153 197 F CA -0.676 57.435 58.000 0.185 0.000 1.218 197 F CB 0.420 39.420 39.000 0.000 0.000 1.215 197 F HN 0.316 nan 8.300 nan 0.000 0.570 198 Q N 2.899 122.835 119.800 0.226 0.000 2.288 198 Q HA 0.430 4.770 4.340 -0.000 0.000 0.254 198 Q C -0.544 175.451 176.000 -0.008 0.000 0.932 198 Q CA -0.289 55.553 55.803 0.065 0.000 0.902 198 Q CB 1.645 30.382 28.738 -0.002 0.000 1.203 198 Q HN 0.521 nan 8.270 nan 0.000 0.415 199 I N 0.032 120.607 120.570 0.009 0.000 2.608 199 I HA 0.368 4.538 4.170 -0.000 0.000 0.295 199 I C -0.256 175.853 176.117 -0.014 0.000 1.049 199 I CA -1.313 59.973 61.300 -0.023 0.000 1.063 199 I CB 1.885 39.891 38.000 0.010 0.000 1.248 199 I HN 0.448 nan 8.210 nan 0.000 0.424 200 N N 5.762 124.448 118.700 -0.022 0.000 2.671 200 N HA 0.183 4.923 4.740 -0.000 0.000 0.274 200 N C -0.714 174.799 175.510 0.005 0.000 1.188 200 N CA -0.198 52.853 53.050 0.002 0.000 1.065 200 N CB 0.530 39.019 38.487 0.003 0.000 1.415 200 N HN 0.755 nan 8.380 nan 0.000 0.511 201 R N 1.331 121.845 120.500 0.024 0.000 2.673 201 R HA 0.363 4.703 4.340 -0.000 0.000 0.281 201 R C -0.538 175.793 176.300 0.051 0.000 0.991 201 R CA -0.702 55.411 56.100 0.023 0.000 0.896 201 R CB 2.258 32.571 30.300 0.021 0.000 1.201 201 R HN 0.386 nan 8.270 nan 0.000 0.457 202 R N 0.807 121.321 120.500 0.023 0.000 2.583 202 R HA 0.285 4.625 4.340 -0.000 0.000 0.268 202 R C 1.199 177.529 176.300 0.051 0.000 1.101 202 R CA 0.402 56.530 56.100 0.047 0.000 1.180 202 R CB 0.666 30.921 30.300 -0.075 0.000 1.128 202 R HN 0.795 nan 8.270 nan 0.000 0.568 203 A N 1.387 124.249 122.820 0.071 0.000 1.917 203 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 203 A C 1.395 178.992 177.584 0.022 0.000 1.182 203 A CA 2.287 54.348 52.037 0.040 0.000 0.633 203 A CB -0.760 18.265 19.000 0.042 0.000 0.819 203 A HN 0.906 nan 8.150 nan 0.000 0.448 204 D N -2.545 117.866 120.400 0.019 0.000 2.348 204 D HA 0.271 4.911 4.640 -0.000 0.000 0.216 204 D C 1.218 177.529 176.300 0.018 0.000 0.970 204 D CA 1.204 55.213 54.000 0.015 0.000 0.889 204 D CB -0.436 40.372 40.800 0.013 0.000 0.912 204 D HN 0.917 nan 8.370 nan 0.000 0.524 205 G N -1.260 107.552 108.800 0.019 0.000 2.184 205 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.206 205 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.206 205 G C 0.297 175.216 174.900 0.032 0.000 0.995 205 G CA 0.063 45.179 45.100 0.027 0.000 0.651 205 G HN 0.406 nan 8.290 nan 0.000 0.511 206 T N 2.330 116.896 114.554 0.019 0.000 2.814 206 T HA 0.472 4.821 4.350 -0.000 0.000 0.297 206 T C 1.006 175.705 174.700 -0.001 0.000 0.956 206 T CA 0.034 62.142 62.100 0.013 0.000 1.123 206 T CB 0.539 69.408 68.868 0.002 0.000 0.902 206 T HN 0.749 nan 8.240 nan 0.000 0.528 207 R N 2.081 122.586 120.500 0.008 0.000 2.698 207 R HA 0.194 4.533 4.340 -0.000 0.000 0.266 207 R C 0.295 176.569 176.300 -0.042 0.000 1.026 207 R CA -0.212 55.886 56.100 -0.003 0.000 1.102 207 R CB 0.226 30.535 30.300 0.014 0.000 0.978 207 R HN 0.375 nan 8.270 nan 0.000 0.436 208 S N 2.111 117.785 115.700 -0.044 0.000 3.548 208 S HA 0.067 4.537 4.470 -0.000 0.000 0.195 208 S C -0.059 174.504 174.600 -0.062 0.000 1.432 208 S CA -0.359 57.794 58.200 -0.079 0.000 1.087 208 S CB -0.588 62.578 63.200 -0.058 0.000 1.337 208 S HN 0.727 nan 8.310 nan 0.000 0.505 209 S N 1.498 117.159 115.700 -0.065 0.000 2.580 209 S HA 0.060 4.530 4.470 -0.000 0.000 0.261 209 S C 1.650 176.231 174.600 -0.032 0.000 1.366 209 S CA 0.028 58.203 58.200 -0.041 0.000 0.996 209 S CB 0.642 63.812 63.200 -0.051 0.000 0.902 209 S HN 0.632 nan 8.310 nan 0.000 0.566 210 S N 0.952 116.675 115.700 0.038 0.000 2.382 210 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 210 S C 2.024 176.665 174.600 0.068 0.000 1.027 210 S CA 1.086 59.379 58.200 0.155 0.000 0.991 210 S CB -1.324 61.947 63.200 0.118 0.000 0.823 210 S HN 1.051 nan 8.310 nan 0.000 0.469 211 S N 1.624 117.290 115.700 -0.057 0.000 2.377 211 S HA 0.034 4.503 4.470 -0.000 0.000 0.223 211 S C 1.867 176.173 174.600 -0.490 0.000 1.030 211 S CA 0.809 58.926 58.200 -0.140 0.000 0.970 211 S CB -1.011 62.150 63.200 -0.066 0.000 0.830 211 S HN 0.332 nan 8.310 nan 0.000 0.473 212 V N 2.252 121.767 119.914 -0.665 0.000 2.392 212 V HA -0.140 3.980 4.120 -0.000 0.000 0.249 212 V C 2.761 178.628 176.094 -0.379 0.000 1.059 212 V CA 2.172 63.998 62.300 -0.790 0.000 1.051 212 V CB -0.923 30.655 31.823 -0.408 0.000 0.658 212 V HN 0.594 nan 8.190 nan 0.000 0.455 213 S N -2.061 113.475 115.700 -0.274 0.000 2.404 213 S HA -0.001 4.469 4.470 -0.000 0.000 0.223 213 S C 1.768 176.182 174.600 -0.309 0.000 1.040 213 S CA 0.941 58.958 58.200 -0.305 0.000 0.957 213 S CB -0.191 62.785 63.200 -0.373 0.000 0.826 213 S HN 0.630 nan 8.310 nan 0.000 0.491 214 Y N 0.034 120.251 120.300 -0.138 0.000 2.500 214 Y HA 0.279 4.829 4.550 -0.000 0.000 0.284 214 Y C 1.911 177.714 175.900 -0.162 0.000 1.118 214 Y CA 0.157 58.179 58.100 -0.129 0.000 1.241 214 Y CB 0.250 38.641 38.460 -0.114 0.000 1.171 214 Y HN 0.162 nan 8.280 nan 0.000 0.540 215 I N -1.077 119.498 120.570 0.008 0.000 2.899 215 I HA -0.102 4.068 4.170 -0.000 0.000 0.257 215 I C 1.969 178.115 176.117 0.048 0.000 1.115 215 I CA 1.105 62.384 61.300 -0.035 0.000 1.451 215 I CB -1.462 36.567 38.000 0.049 0.000 1.251 215 I HN 0.272 nan 8.210 nan 0.000 0.456 216 H N 2.103 121.146 119.070 -0.044 0.000 2.292 216 H HA -0.138 4.418 4.556 -0.000 0.000 0.292 216 H C -0.720 174.582 175.328 -0.043 0.000 1.100 216 H CA 1.770 57.795 56.048 -0.040 0.000 1.238 216 H CB -1.189 28.546 29.762 -0.045 0.000 1.355 216 H HN 0.291 nan 8.280 nan 0.000 0.484 217 P HA -0.008 nan 4.420 nan 0.000 0.249 217 P C 0.656 177.947 177.300 -0.015 0.000 1.241 217 P CA 0.997 64.106 63.100 0.015 0.000 0.781 217 P CB -0.485 31.206 31.700 -0.013 0.000 1.088 218 I N -5.543 114.998 120.570 -0.049 0.000 4.050 218 I HA 0.149 4.319 4.170 -0.000 0.000 0.327 218 I C 1.273 177.399 176.117 0.015 0.000 1.473 218 I CA -0.317 60.929 61.300 -0.091 0.000 1.124 218 I CB -0.025 37.817 38.000 -0.264 0.000 1.129 218 I HN -0.400 nan 8.210 nan 0.000 0.428 219 V N 1.827 121.801 119.914 0.101 0.000 2.380 219 V HA -0.207 3.913 4.120 -0.000 0.000 0.251 219 V C 2.321 178.570 176.094 0.258 0.000 1.063 219 V CA 2.051 64.496 62.300 0.242 0.000 1.055 219 V CB -0.697 31.205 31.823 0.132 0.000 0.657 219 V HN 0.530 nan 8.190 nan 0.000 0.455 220 E N -0.594 119.703 120.200 0.162 0.000 2.447 220 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 220 E C 1.157 177.838 176.600 0.135 0.000 1.028 220 E CA -0.164 56.316 56.400 0.133 0.000 0.876 220 E CB -0.155 29.596 29.700 0.085 0.000 0.885 220 E HN 0.740 nan 8.360 nan 0.000 0.500 221 Q N 1.359 121.246 119.800 0.146 0.000 2.310 221 Q HA -0.125 4.215 4.340 -0.000 0.000 0.315 221 Q C 0.326 176.423 176.000 0.162 0.000 1.081 221 Q CA 0.223 56.103 55.803 0.129 0.000 0.981 221 Q CB 0.671 29.468 28.738 0.098 0.000 1.184 221 Q HN -0.066 nan 8.270 nan 0.000 0.389 222 E N 1.949 122.219 120.200 0.118 0.000 2.070 222 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 222 E C 1.000 177.679 176.600 0.131 0.000 1.004 222 E CA 1.980 58.443 56.400 0.106 0.000 0.805 222 E CB -0.043 29.703 29.700 0.078 0.000 0.744 222 E HN 0.751 nan 8.360 nan 0.000 0.451 223 N N -0.249 118.546 118.700 0.159 0.000 2.270 223 N HA -0.019 4.721 4.740 -0.000 0.000 0.198 223 N C -0.491 175.170 175.510 0.252 0.000 1.117 223 N CA -0.127 53.031 53.050 0.179 0.000 0.845 223 N CB 0.035 38.615 38.487 0.156 0.000 0.980 223 N HN 0.095 nan 8.380 nan 0.000 0.486 224 F N 1.254 121.258 119.950 0.089 0.000 2.492 224 F HA 0.602 5.129 4.527 -0.000 0.000 0.327 224 F C -0.606 175.239 175.800 0.075 0.000 1.079 224 F CA -0.709 57.333 58.000 0.069 0.000 0.967 224 F CB 2.193 41.219 39.000 0.044 0.000 1.169 224 F HN -0.076 nan 8.300 nan 0.000 0.472 225 T N 7.854 121.854 114.554 -0.922 0.000 3.170 225 T HA 0.332 4.682 4.350 -0.000 0.000 0.315 225 T C -1.927 172.243 174.700 -0.884 0.000 0.967 225 T CA -0.651 61.043 62.100 -0.676 0.000 1.024 225 T CB 0.397 69.187 68.868 -0.131 0.000 1.018 225 T HN 0.739 nan 8.240 nan 0.000 0.449 226 L N 5.839 126.663 121.223 -0.665 0.000 2.257 226 L HA 0.579 4.919 4.340 -0.000 0.000 0.290 226 L C -1.451 175.389 176.870 -0.051 0.000 1.044 226 L CA -0.841 53.800 54.840 -0.333 0.000 0.810 226 L CB 0.706 42.733 42.059 -0.053 0.000 1.193 226 L HN 0.635 nan 8.230 nan 0.000 0.425 227 L N 4.869 126.049 121.223 -0.071 0.000 2.319 227 L HA 0.494 4.834 4.340 -0.000 0.000 0.281 227 L C 0.353 177.241 176.870 0.030 0.000 1.005 227 L CA -0.103 54.727 54.840 -0.016 0.000 0.828 227 L CB 1.922 43.934 42.059 -0.077 0.000 1.227 227 L HN 0.571 nan 8.230 nan 0.000 0.415 228 T N -1.428 113.179 114.554 0.088 0.000 2.942 228 T HA 0.683 5.033 4.350 -0.000 0.000 0.289 228 T C 0.758 175.496 174.700 0.063 0.000 1.044 228 T CA -0.405 61.750 62.100 0.092 0.000 1.023 228 T CB 1.759 70.715 68.868 0.147 0.000 1.123 228 T HN 0.929 nan 8.240 nan 0.000 0.512 229 G N 0.628 109.460 108.800 0.054 0.000 2.305 229 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.287 229 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.287 229 G C -0.261 174.658 174.900 0.032 0.000 1.036 229 G CA 0.285 45.404 45.100 0.032 0.000 0.887 229 G HN 0.883 nan 8.290 nan 0.000 0.505 230 L N -0.492 120.755 121.223 0.040 0.000 2.372 230 L HA 0.518 4.858 4.340 -0.000 0.000 0.273 230 L C 0.407 177.310 176.870 0.056 0.000 0.989 230 L CA -0.941 53.919 54.840 0.034 0.000 0.841 230 L CB 1.949 44.011 42.059 0.005 0.000 1.225 230 L HN 0.272 nan 8.230 nan 0.000 0.414 231 R N 3.126 123.662 120.500 0.060 0.000 2.295 231 R HA 0.716 5.056 4.340 -0.000 0.000 0.324 231 R C -0.368 175.921 176.300 -0.018 0.000 0.968 231 R CA -0.330 55.826 56.100 0.093 0.000 0.837 231 R CB 1.550 31.959 30.300 0.181 0.000 1.133 231 R HN 0.681 nan 8.270 nan 0.000 0.450 232 A N 4.459 127.271 122.820 -0.015 0.000 2.409 232 A HA 0.203 4.523 4.320 -0.000 0.000 0.262 232 A C 0.706 178.188 177.584 -0.170 0.000 1.113 232 A CA -0.535 51.450 52.037 -0.086 0.000 0.790 232 A CB 0.360 19.332 19.000 -0.045 0.000 1.046 232 A HN 1.080 nan 8.150 nan 0.000 0.496 233 R N 0.555 120.889 120.500 -0.277 0.000 2.342 233 R HA 0.329 4.669 4.340 -0.000 0.000 0.204 233 R C -0.126 176.077 176.300 -0.162 0.000 0.882 233 R CA 0.164 56.032 56.100 -0.386 0.000 1.041 233 R CB 0.362 30.131 30.300 -0.886 0.000 1.188 233 R HN 0.601 nan 8.270 nan 0.000 0.598 234 Q N 0.714 120.446 119.800 -0.113 0.000 2.386 234 Q HA 0.447 4.787 4.340 -0.000 0.000 0.274 234 Q C -1.818 174.167 176.000 -0.026 0.000 1.011 234 Q CA -0.496 55.284 55.803 -0.038 0.000 0.867 234 Q CB 2.907 31.633 28.738 -0.021 0.000 1.409 234 Q HN 0.105 nan 8.270 nan 0.000 0.395 235 L N 1.312 122.548 121.223 0.021 0.000 2.395 235 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 235 L C -0.265 176.606 176.870 0.002 0.000 1.133 235 L CA -0.756 54.073 54.840 -0.019 0.000 0.812 235 L CB 1.022 43.117 42.059 0.061 0.000 1.125 235 L HN 0.426 nan 8.230 nan 0.000 0.452 236 V N 2.153 121.957 119.914 -0.182 0.000 2.769 236 V HA 0.636 4.756 4.120 -0.000 0.000 0.312 236 V C -1.252 174.628 176.094 -0.356 0.000 1.061 236 V CA -0.378 61.863 62.300 -0.098 0.000 0.931 236 V CB 1.917 33.707 31.823 -0.054 0.000 1.010 236 V HN 0.521 nan 8.190 nan 0.000 0.433 237 F N 2.345 122.290 119.950 -0.010 0.000 2.588 237 F HA 0.538 5.064 4.527 -0.001 0.000 0.310 237 F C 0.270 176.065 175.800 -0.008 0.000 1.082 237 F CA -0.639 57.356 58.000 -0.009 0.000 0.929 237 F CB 1.737 40.731 39.000 -0.009 0.000 1.254 237 F HN 0.544 nan 8.300 nan 0.000 0.455 238 D N 0.687 121.197 120.400 0.184 0.000 2.335 238 D HA 0.193 4.833 4.640 -0.000 0.000 0.236 238 D C 0.894 177.259 176.300 0.108 0.000 1.297 238 D CA 0.559 54.625 54.000 0.110 0.000 0.906 238 D CB 0.862 41.715 40.800 0.089 0.000 1.164 238 D HN 0.614 nan 8.370 nan 0.000 0.469 239 A N 0.770 123.627 122.820 0.061 0.000 2.209 239 A HA -0.066 4.254 4.320 -0.000 0.000 0.212 239 A C 0.777 178.383 177.584 0.037 0.000 1.158 239 A CA 0.857 52.919 52.037 0.041 0.000 0.742 239 A CB 0.055 19.070 19.000 0.026 0.000 0.790 239 A HN 0.405 nan 8.150 nan 0.000 0.472 240 D N -0.372 120.059 120.400 0.052 0.000 2.501 240 D HA 0.153 4.793 4.640 -0.000 0.000 0.226 240 D C 0.012 176.351 176.300 0.065 0.000 1.198 240 D CA -0.201 53.826 54.000 0.044 0.000 0.830 240 D CB 0.086 40.910 40.800 0.039 0.000 1.014 240 D HN 0.328 nan 8.370 nan 0.000 0.496 241 R N 0.476 121.028 120.500 0.087 0.000 3.863 241 R HA -0.204 4.135 4.340 -0.000 0.000 0.313 241 R C 0.655 177.142 176.300 0.311 0.000 1.202 241 R CA 0.553 56.718 56.100 0.108 0.000 0.852 241 R CB -1.788 28.494 30.300 -0.029 0.000 1.292 241 R HN 0.253 nan 8.270 nan 0.000 0.519 242 R N 0.877 121.538 120.500 0.269 0.000 2.490 242 R HA 0.202 4.541 4.340 -0.000 0.000 0.278 242 R C -0.234 176.146 176.300 0.134 0.000 1.069 242 R CA -0.202 56.022 56.100 0.207 0.000 1.080 242 R CB 1.003 31.352 30.300 0.082 0.000 1.030 242 R HN 0.231 nan 8.270 nan 0.000 0.491 243 C N 4.385 123.638 119.300 -0.079 0.000 2.349 243 C HA 0.185 4.645 4.460 -0.000 0.000 0.348 243 C C 1.878 176.688 174.990 -0.299 0.000 1.223 243 C CA -0.043 58.657 59.018 -0.531 0.000 1.746 243 C CB -0.384 27.091 27.740 -0.441 0.000 2.360 243 C HN 0.942 nan 8.230 nan 0.000 0.533 244 T N 2.158 116.528 114.554 -0.306 0.000 3.014 244 T HA 0.491 4.841 4.350 -0.000 0.000 0.250 244 T C 0.792 175.403 174.700 -0.147 0.000 1.060 244 T CA 0.700 62.701 62.100 -0.165 0.000 1.040 244 T CB 0.225 69.029 68.868 -0.106 0.000 0.971 244 T HN 1.191 nan 8.240 nan 0.000 0.497 245 G N 0.053 108.732 108.800 -0.201 0.000 2.356 245 G HA2 0.446 4.406 3.960 -0.000 0.000 0.281 245 G HA3 0.446 4.406 3.960 -0.000 0.000 0.281 245 G C -2.010 172.807 174.900 -0.138 0.000 1.246 245 G CA 0.030 45.053 45.100 -0.127 0.000 0.889 245 G HN 0.785 nan 8.290 nan 0.000 0.486 246 V N 0.302 120.172 119.914 -0.074 0.000 2.851 246 V HA 0.639 4.759 4.120 -0.000 0.000 0.307 246 V C -1.744 174.327 176.094 -0.039 0.000 1.129 246 V CA -0.805 61.456 62.300 -0.064 0.000 0.932 246 V CB 2.115 33.906 31.823 -0.054 0.000 1.024 246 V HN 0.734 nan 8.190 nan 0.000 0.426 247 D N 5.418 125.788 120.400 -0.052 0.000 2.210 247 D HA 0.676 5.316 4.640 -0.000 0.000 0.249 247 D C -0.244 176.011 176.300 -0.075 0.000 1.062 247 D CA 0.334 54.304 54.000 -0.051 0.000 0.891 247 D CB 1.733 42.491 40.800 -0.070 0.000 1.186 247 D HN 0.738 nan 8.370 nan 0.000 0.432 248 I N -1.779 118.770 120.570 -0.036 0.000 2.894 248 I HA 0.642 4.812 4.170 -0.000 0.000 0.302 248 I C -0.605 175.522 176.117 0.016 0.000 1.188 248 I CA -1.340 59.939 61.300 -0.036 0.000 1.014 248 I CB 2.117 40.120 38.000 0.005 0.000 1.242 248 I HN 0.072 nan 8.210 nan 0.000 0.430 249 V N 0.094 120.001 119.914 -0.011 0.000 2.680 249 V HA 0.519 4.638 4.120 -0.000 0.000 0.309 249 V C -0.148 176.006 176.094 0.100 0.000 1.052 249 V CA -0.379 61.962 62.300 0.068 0.000 0.908 249 V CB 1.475 33.306 31.823 0.013 0.000 1.001 249 V HN 0.923 nan 8.190 nan 0.000 0.431 250 D N 2.671 123.162 120.400 0.151 0.000 2.183 250 D HA 0.082 4.721 4.640 -0.000 0.000 0.203 250 D C 1.008 177.361 176.300 0.089 0.000 0.969 250 D CA 1.474 55.533 54.000 0.098 0.000 0.842 250 D CB -0.072 40.791 40.800 0.105 0.000 0.957 250 D HN 0.976 nan 8.370 nan 0.000 0.484 251 S N -1.962 113.808 115.700 0.115 0.000 2.625 251 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 251 S C 0.906 175.556 174.600 0.083 0.000 1.161 251 S CA -0.532 57.727 58.200 0.097 0.000 0.820 251 S CB 1.359 64.624 63.200 0.108 0.000 1.137 251 S HN 0.049 nan 8.310 nan 0.000 0.470 252 A N 0.161 122.980 122.820 -0.002 0.000 2.042 252 A HA 0.068 4.388 4.320 -0.000 0.000 0.222 252 A C 0.752 177.873 177.584 -0.771 0.000 1.167 252 A CA 1.608 53.453 52.037 -0.320 0.000 0.649 252 A CB -0.967 17.798 19.000 -0.391 0.000 0.809 252 A HN 0.884 nan 8.150 nan 0.000 0.457 253 F N -1.540 118.490 119.950 0.133 0.000 2.810 253 F HA 0.427 4.953 4.527 -0.001 0.000 0.353 253 F C 1.093 176.959 175.800 0.110 0.000 1.227 253 F CA -0.202 57.860 58.000 0.103 0.000 1.210 253 F CB 0.396 39.425 39.000 0.048 0.000 1.039 253 F HN 0.217 nan 8.300 nan 0.000 0.509 254 G N -1.176 107.755 108.800 0.218 0.000 2.795 254 G HA2 0.411 4.371 3.960 -0.000 0.000 0.267 254 G HA3 0.411 4.371 3.960 -0.000 0.000 0.267 254 G C -1.198 173.832 174.900 0.215 0.000 1.362 254 G CA -0.469 44.785 45.100 0.256 0.000 1.048 254 G HN 0.137 nan 8.290 nan 0.000 0.547 255 H N -0.883 118.228 119.070 0.068 0.000 2.511 255 H HA 0.437 4.992 4.556 -0.001 0.000 0.346 255 H C 0.290 175.556 175.328 -0.103 0.000 1.128 255 H CA -0.083 55.933 56.048 -0.054 0.000 1.342 255 H CB 0.899 30.552 29.762 -0.182 0.000 1.470 255 H HN 0.252 nan 8.280 nan 0.000 0.546 256 T N 4.246 118.774 114.554 -0.043 0.000 2.794 256 T HA 0.196 4.546 4.350 -0.000 0.000 0.296 256 T C -0.045 174.545 174.700 -0.182 0.000 0.949 256 T CA -0.399 61.660 62.100 -0.069 0.000 1.101 256 T CB -0.069 68.759 68.868 -0.067 0.000 0.905 256 T HN 0.475 nan 8.240 nan 0.000 0.516 257 H N 1.932 121.011 119.070 0.014 0.000 2.670 257 H HA 0.557 5.112 4.556 -0.000 0.000 0.361 257 H C -0.054 175.271 175.328 -0.005 0.000 1.169 257 H CA -0.910 55.145 56.048 0.011 0.000 1.198 257 H CB 2.095 31.864 29.762 0.012 0.000 1.700 257 H HN 0.392 nan 8.280 nan 0.000 0.542 258 R N 1.766 122.339 120.500 0.121 0.000 2.437 258 R HA 0.415 4.754 4.340 -0.000 0.000 0.310 258 R C -1.297 175.042 176.300 0.065 0.000 0.955 258 R CA -0.613 55.523 56.100 0.059 0.000 0.851 258 R CB 0.807 31.121 30.300 0.023 0.000 1.161 258 R HN 0.440 nan 8.270 nan 0.000 0.446 259 L N 3.541 124.802 121.223 0.062 0.000 2.295 259 L HA 0.447 4.786 4.340 -0.000 0.000 0.285 259 L C -0.048 176.865 176.870 0.070 0.000 1.035 259 L CA -0.788 54.116 54.840 0.107 0.000 0.806 259 L CB 1.963 44.113 42.059 0.151 0.000 1.214 259 L HN 0.646 nan 8.230 nan 0.000 0.426 260 T N 2.028 116.622 114.554 0.066 0.000 2.907 260 T HA 0.658 5.008 4.350 -0.000 0.000 0.284 260 T C -0.121 174.608 174.700 0.048 0.000 1.004 260 T CA -0.454 61.655 62.100 0.014 0.000 1.063 260 T CB 1.730 70.582 68.868 -0.028 0.000 0.992 260 T HN 0.688 nan 8.240 nan 0.000 0.483 261 A N 2.251 125.066 122.820 -0.008 0.000 2.343 261 A HA 0.547 4.867 4.320 -0.000 0.000 0.308 261 A C 0.947 178.482 177.584 -0.081 0.000 1.092 261 A CA -0.693 51.332 52.037 -0.021 0.000 0.751 261 A CB 1.155 20.135 19.000 -0.033 0.000 1.203 261 A HN 0.879 nan 8.150 nan 0.000 0.452 262 R N 1.096 121.527 120.500 -0.114 0.000 2.100 262 R HA -0.024 4.316 4.340 -0.000 0.000 0.220 262 R C 0.907 177.106 176.300 -0.169 0.000 1.091 262 R CA 1.278 57.301 56.100 -0.129 0.000 0.986 262 R CB 0.152 30.377 30.300 -0.125 0.000 0.888 262 R HN 0.825 nan 8.270 nan 0.000 0.444 263 N N -0.530 117.992 118.700 -0.297 0.000 2.508 263 N HA 0.083 4.823 4.740 -0.000 0.000 0.186 263 N C -0.297 175.098 175.510 -0.193 0.000 1.034 263 N CA 0.664 53.521 53.050 -0.322 0.000 0.885 263 N CB 0.862 38.960 38.487 -0.649 0.000 1.135 263 N HN 0.098 nan 8.380 nan 0.000 0.435 264 E N -0.593 119.493 120.200 -0.191 0.000 2.392 264 E HA 0.311 4.661 4.350 -0.000 0.000 0.281 264 E C -1.708 174.931 176.600 0.065 0.000 1.088 264 E CA -0.435 55.971 56.400 0.010 0.000 0.850 264 E CB 2.612 32.414 29.700 0.169 0.000 1.267 264 E HN -0.275 nan 8.360 nan 0.000 0.438 265 V N 1.663 121.604 119.914 0.046 0.000 2.540 265 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 265 V C -0.350 175.776 176.094 0.053 0.000 1.035 265 V CA -0.817 61.507 62.300 0.039 0.000 0.873 265 V CB 1.683 33.488 31.823 -0.030 0.000 0.992 265 V HN 0.409 nan 8.190 nan 0.000 0.428 266 V N 5.513 125.460 119.914 0.055 0.000 2.481 266 V HA 0.421 4.541 4.120 -0.000 0.000 0.286 266 V C -0.048 176.052 176.094 0.009 0.000 1.042 266 V CA -0.546 61.773 62.300 0.031 0.000 0.928 266 V CB 1.770 33.606 31.823 0.021 0.000 0.986 266 V HN 0.670 nan 8.190 nan 0.000 0.462 267 L N 3.759 124.984 121.223 0.003 0.000 2.264 267 L HA 0.448 4.788 4.340 -0.000 0.000 0.289 267 L C 0.306 177.166 176.870 -0.016 0.000 1.044 267 L CA 0.154 54.988 54.840 -0.009 0.000 0.807 267 L CB 1.646 43.699 42.059 -0.010 0.000 1.192 267 L HN 0.772 nan 8.230 nan 0.000 0.425 268 S N 0.248 115.938 115.700 -0.017 0.000 2.901 268 S HA 0.046 4.516 4.470 -0.000 0.000 0.248 268 S C 0.888 175.478 174.600 -0.017 0.000 1.021 268 S CA -0.335 57.853 58.200 -0.020 0.000 1.090 268 S CB 0.447 63.637 63.200 -0.017 0.000 1.039 268 S HN 0.806 nan 8.310 nan 0.000 0.514 269 T N -0.175 114.361 114.554 -0.030 0.000 3.169 269 T HA 0.516 4.866 4.350 -0.000 0.000 0.250 269 T C 1.075 175.734 174.700 -0.069 0.000 1.111 269 T CA 0.263 62.340 62.100 -0.038 0.000 1.010 269 T CB 0.030 68.862 68.868 -0.059 0.000 0.984 269 T HN 0.740 nan 8.240 nan 0.000 0.537 270 G N 0.335 109.096 108.800 -0.064 0.000 2.525 270 G HA2 0.260 4.220 3.960 -0.000 0.000 0.685 270 G HA3 0.260 4.220 3.960 -0.000 0.000 0.685 270 G C 0.510 175.345 174.900 -0.108 0.000 1.290 270 G CA -0.434 44.625 45.100 -0.069 0.000 0.915 270 G HN 0.645 nan 8.290 nan 0.000 0.548 271 A N -0.897 121.855 122.820 -0.114 0.000 2.169 271 A HA 0.490 4.810 4.320 -0.000 0.000 0.212 271 A C 2.171 179.637 177.584 -0.197 0.000 1.153 271 A CA 1.876 53.821 52.037 -0.153 0.000 0.756 271 A CB -0.219 18.687 19.000 -0.156 0.000 0.813 271 A HN 0.759 nan 8.150 nan 0.000 0.471 272 I N -1.897 118.541 120.570 -0.222 0.000 2.899 272 I HA -0.015 4.155 4.170 -0.000 0.000 0.257 272 I C 1.668 177.588 176.117 -0.330 0.000 1.115 272 I CA 0.499 61.606 61.300 -0.321 0.000 1.451 272 I CB -0.078 37.664 38.000 -0.431 0.000 1.251 272 I HN 0.158 nan 8.210 nan 0.000 0.456 273 D N 0.584 120.801 120.400 -0.306 0.000 2.183 273 D HA -0.114 4.526 4.640 -0.000 0.000 0.203 273 D C 1.976 178.165 176.300 -0.186 0.000 0.969 273 D CA 1.366 55.196 54.000 -0.284 0.000 0.842 273 D CB 0.254 40.858 40.800 -0.327 0.000 0.957 273 D HN 0.219 nan 8.370 nan 0.000 0.484 274 T N 1.419 115.882 114.554 -0.151 0.000 2.708 274 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 274 T C -1.044 173.595 174.700 -0.101 0.000 1.037 274 T CA 1.246 63.281 62.100 -0.108 0.000 1.146 274 T CB -0.793 68.020 68.868 -0.093 0.000 0.865 274 T HN 0.245 nan 8.240 nan 0.000 0.435 275 P HA -0.010 nan 4.420 nan 0.000 0.220 275 P C 1.384 178.627 177.300 -0.095 0.000 1.152 275 P CA 1.087 64.124 63.100 -0.106 0.000 0.812 275 P CB 0.027 31.649 31.700 -0.130 0.000 0.792 276 K N 0.439 120.764 120.400 -0.125 0.000 1.991 276 K HA -0.130 4.190 4.320 -0.000 0.000 0.212 276 K C 2.240 178.797 176.600 -0.071 0.000 1.049 276 K CA 1.170 57.391 56.287 -0.109 0.000 0.932 276 K CB -0.847 31.559 32.500 -0.156 0.000 0.717 276 K HN -0.006 nan 8.250 nan 0.000 0.441 277 L N 1.188 122.369 121.223 -0.071 0.000 2.043 277 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 277 L C 2.371 179.232 176.870 -0.016 0.000 1.075 277 L CA 1.466 56.282 54.840 -0.039 0.000 0.752 277 L CB -0.267 41.766 42.059 -0.043 0.000 0.891 277 L HN 0.383 nan 8.230 nan 0.000 0.432 278 L N -1.213 119.997 121.223 -0.022 0.000 2.056 278 L HA -0.250 4.090 4.340 -0.000 0.000 0.207 278 L C 2.699 179.560 176.870 -0.014 0.000 1.078 278 L CA 1.111 55.949 54.840 -0.002 0.000 0.749 278 L CB -0.297 41.754 42.059 -0.014 0.000 0.901 278 L HN 0.280 nan 8.230 nan 0.000 0.433 279 M N -0.554 119.029 119.600 -0.028 0.000 2.065 279 M HA -0.272 4.207 4.480 -0.000 0.000 0.259 279 M C 2.341 178.617 176.300 -0.040 0.000 1.069 279 M CA 1.887 57.165 55.300 -0.037 0.000 1.110 279 M CB -0.756 31.823 32.600 -0.034 0.000 1.328 279 M HN 0.208 nan 8.290 nan 0.000 0.405 280 L N -0.167 121.038 121.223 -0.030 0.000 2.137 280 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 280 L C 1.960 178.834 176.870 0.007 0.000 1.085 280 L CA 0.991 55.825 54.840 -0.009 0.000 0.760 280 L CB -0.649 41.417 42.059 0.011 0.000 0.893 280 L HN 0.296 nan 8.230 nan 0.000 0.434 281 S N -0.618 115.094 115.700 0.020 0.000 2.634 281 S HA 0.251 4.720 4.470 -0.000 0.000 0.221 281 S C 1.378 175.979 174.600 0.002 0.000 0.952 281 S CA 0.496 58.732 58.200 0.060 0.000 0.930 281 S CB 0.559 63.848 63.200 0.149 0.000 0.780 281 S HN 0.633 nan 8.310 nan 0.000 0.498 282 G N 1.727 110.507 108.800 -0.032 0.000 2.162 282 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 282 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 282 G C -0.008 174.833 174.900 -0.099 0.000 0.976 282 G CA -0.144 44.914 45.100 -0.070 0.000 0.655 282 G HN 0.550 nan 8.290 nan 0.000 0.533 283 I N 1.127 121.647 120.570 -0.083 0.000 2.328 283 I HA 0.638 4.808 4.170 -0.000 0.000 0.287 283 I C 0.862 176.948 176.117 -0.051 0.000 1.012 283 I CA 0.284 61.533 61.300 -0.086 0.000 1.195 283 I CB 1.122 39.074 38.000 -0.080 0.000 1.350 283 I HN 0.454 nan 8.210 nan 0.000 0.464 284 G N 7.458 116.230 108.800 -0.046 0.000 2.344 284 G HA2 0.203 4.163 3.960 -0.000 0.000 0.282 284 G HA3 0.203 4.163 3.960 -0.000 0.000 0.282 284 G C -3.323 171.570 174.900 -0.011 0.000 1.281 284 G CA -0.628 44.458 45.100 -0.023 0.000 0.877 284 G HN 0.230 nan 8.290 nan 0.000 0.494 285 P HA 0.452 nan 4.420 nan 0.000 0.280 285 P C 0.803 178.129 177.300 0.042 0.000 1.300 285 P CA 0.586 63.699 63.100 0.021 0.000 0.785 285 P CB 1.232 32.943 31.700 0.017 0.000 0.874 286 A N 5.279 128.104 122.820 0.008 0.000 1.873 286 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 286 A C 2.183 179.770 177.584 0.005 0.000 1.193 286 A CA 2.352 54.386 52.037 -0.005 0.000 0.629 286 A CB -1.613 17.376 19.000 -0.018 0.000 0.826 286 A HN 0.495 nan 8.150 nan 0.000 0.447 287 A N -1.353 121.476 122.820 0.015 0.000 2.024 287 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 287 A C 2.008 179.624 177.584 0.053 0.000 1.164 287 A CA 2.257 54.304 52.037 0.016 0.000 0.643 287 A CB -0.783 18.223 19.000 0.009 0.000 0.806 287 A HN 0.806 nan 8.150 nan 0.000 0.451 288 H N 0.055 119.114 119.070 -0.018 0.000 2.363 288 H HA 0.068 4.624 4.556 -0.000 0.000 0.301 288 H C 1.710 177.077 175.328 0.066 0.000 1.074 288 H CA 1.756 57.814 56.048 0.017 0.000 1.354 288 H CB -0.275 29.495 29.762 0.013 0.000 1.397 288 H HN 0.349 nan 8.280 nan 0.000 0.516 289 L N -0.273 120.884 121.223 -0.110 0.000 2.017 289 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 289 L C 2.838 179.658 176.870 -0.084 0.000 1.073 289 L CA 1.136 55.892 54.840 -0.139 0.000 0.745 289 L CB -0.983 41.027 42.059 -0.081 0.000 0.894 289 L HN 0.403 nan 8.230 nan 0.000 0.432 290 A N 0.087 122.870 122.820 -0.062 0.000 1.865 290 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 290 A C 2.193 179.723 177.584 -0.089 0.000 1.191 290 A CA 1.943 53.945 52.037 -0.058 0.000 0.623 290 A CB -0.758 18.216 19.000 -0.044 0.000 0.826 290 A HN 0.464 nan 8.150 nan 0.000 0.444 291 E N -1.193 118.930 120.200 -0.129 0.000 2.236 291 E HA -0.275 4.075 4.350 -0.000 0.000 0.205 291 E C 1.006 177.356 176.600 -0.417 0.000 1.028 291 E CA 1.573 57.820 56.400 -0.255 0.000 0.827 291 E CB -0.137 29.401 29.700 -0.270 0.000 0.735 291 E HN 0.800 nan 8.360 nan 0.000 0.470 292 H N -2.331 116.676 119.070 -0.105 0.000 2.594 292 H HA 0.217 4.773 4.556 -0.001 0.000 0.279 292 H C 1.064 176.351 175.328 -0.069 0.000 1.042 292 H CA 0.701 56.693 56.048 -0.095 0.000 1.177 292 H CB 1.457 31.133 29.762 -0.143 0.000 1.524 292 H HN 0.334 nan 8.280 nan 0.000 0.537 293 G N 1.580 110.382 108.800 0.004 0.000 2.141 293 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.231 293 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.231 293 G C 0.118 175.015 174.900 -0.004 0.000 0.984 293 G CA -0.142 44.957 45.100 -0.001 0.000 0.660 293 G HN 0.291 nan 8.290 nan 0.000 0.525 294 I N 1.390 121.953 120.570 -0.012 0.000 2.312 294 I HA 0.289 4.458 4.170 -0.000 0.000 0.291 294 I C 0.811 176.911 176.117 -0.029 0.000 1.031 294 I CA -0.558 60.730 61.300 -0.020 0.000 1.293 294 I CB 1.301 39.281 38.000 -0.034 0.000 1.403 294 I HN 0.180 nan 8.210 nan 0.000 0.484 295 E N 5.370 125.556 120.200 -0.024 0.000 2.415 295 E HA 0.127 4.477 4.350 -0.000 0.000 0.263 295 E C -0.959 175.615 176.600 -0.044 0.000 0.995 295 E CA -0.342 56.041 56.400 -0.029 0.000 0.915 295 E CB 0.973 30.660 29.700 -0.022 0.000 0.951 295 E HN 0.352 nan 8.360 nan 0.000 0.449 296 V N 6.948 126.832 119.914 -0.049 0.000 2.385 296 V HA -0.000 4.119 4.120 -0.000 0.000 0.269 296 V C 0.896 176.940 176.094 -0.084 0.000 1.043 296 V CA -0.215 62.048 62.300 -0.063 0.000 0.906 296 V CB 1.021 32.813 31.823 -0.052 0.000 0.995 296 V HN 0.753 nan 8.190 nan 0.000 0.467 297 L N 6.246 127.396 121.223 -0.122 0.000 2.071 297 L HA 0.255 4.595 4.340 -0.000 0.000 0.201 297 L C 0.620 177.398 176.870 -0.154 0.000 1.076 297 L CA 1.774 56.509 54.840 -0.175 0.000 0.755 297 L CB 0.406 42.276 42.059 -0.314 0.000 0.915 297 L HN 0.450 nan 8.230 nan 0.000 0.445 298 V N 0.253 120.080 119.914 -0.144 0.000 2.577 298 V HA 0.252 4.372 4.120 -0.000 0.000 0.303 298 V C -1.073 174.977 176.094 -0.075 0.000 1.042 298 V CA -1.174 61.063 62.300 -0.105 0.000 0.872 298 V CB 1.511 33.267 31.823 -0.111 0.000 0.998 298 V HN 0.085 nan 8.190 nan 0.000 0.423 299 D N 3.109 123.476 120.400 -0.056 0.000 2.357 299 D HA 0.058 4.698 4.640 -0.000 0.000 0.265 299 D C 0.129 176.406 176.300 -0.038 0.000 1.334 299 D CA 0.762 54.737 54.000 -0.041 0.000 0.984 299 D CB 0.747 41.527 40.800 -0.032 0.000 1.077 299 D HN 0.490 nan 8.370 nan 0.000 0.514 300 S N 4.947 120.624 115.700 -0.039 0.000 2.328 300 S HA 0.304 4.774 4.470 -0.000 0.000 0.204 300 S C -1.773 172.804 174.600 -0.038 0.000 1.475 300 S CA -1.371 56.807 58.200 -0.038 0.000 1.148 300 S CB 0.960 64.134 63.200 -0.043 0.000 1.077 300 S HN 0.334 nan 8.310 nan 0.000 0.479 301 P HA 0.032 nan 4.420 nan 0.000 0.228 301 P C 1.254 178.505 177.300 -0.083 0.000 1.151 301 P CA 0.620 63.691 63.100 -0.048 0.000 0.770 301 P CB -0.084 31.595 31.700 -0.035 0.000 0.786 302 G N -0.158 108.601 108.800 -0.068 0.000 2.683 302 G HA2 0.009 3.969 3.960 -0.000 0.000 0.213 302 G HA3 0.009 3.969 3.960 -0.000 0.000 0.213 302 G C 0.461 175.274 174.900 -0.146 0.000 1.142 302 G CA -0.048 44.994 45.100 -0.097 0.000 0.793 302 G HN 0.140 nan 8.290 nan 0.000 0.534 303 V N 1.717 121.569 119.914 -0.104 0.000 2.420 303 V HA 0.404 4.523 4.120 -0.000 0.000 0.274 303 V C 1.549 177.565 176.094 -0.131 0.000 1.003 303 V CA 1.410 63.650 62.300 -0.100 0.000 1.092 303 V CB -0.137 31.647 31.823 -0.064 0.000 1.002 303 V HN 0.722 nan 8.190 nan 0.000 0.473 304 G N 3.665 112.368 108.800 -0.163 0.000 2.175 304 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.244 304 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.244 304 G C 0.123 174.874 174.900 -0.249 0.000 0.982 304 G CA -0.076 44.912 45.100 -0.188 0.000 0.641 304 G HN 0.571 nan 8.290 nan 0.000 0.527 305 E N 0.047 120.046 120.200 -0.335 0.000 2.312 305 E HA 0.488 4.837 4.350 -0.000 0.000 0.259 305 E C 1.025 177.332 176.600 -0.489 0.000 1.122 305 E CA -0.268 55.813 56.400 -0.531 0.000 0.922 305 E CB 0.178 29.362 29.700 -0.860 0.000 1.109 305 E HN 0.458 nan 8.360 nan 0.000 0.442 306 H N -1.552 117.427 119.070 -0.152 0.000 2.899 306 H HA -0.194 4.362 4.556 -0.000 0.000 0.282 306 H C 0.173 175.385 175.328 -0.192 0.000 1.198 306 H CA 0.110 56.059 56.048 -0.166 0.000 1.140 306 H CB -2.277 27.375 29.762 -0.183 0.000 1.317 306 H HN 0.151 nan 8.280 nan 0.000 0.375 307 L N 2.158 123.298 121.223 -0.137 0.000 2.584 307 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 307 L C 0.518 177.286 176.870 -0.169 0.000 1.195 307 L CA 0.773 55.505 54.840 -0.179 0.000 0.920 307 L CB 0.334 42.263 42.059 -0.217 0.000 1.173 307 L HN 0.276 nan 8.230 nan 0.000 0.489 308 Q N 3.664 123.355 119.800 -0.182 0.000 2.399 308 Q HA 0.671 5.011 4.340 -0.000 0.000 0.276 308 Q C -1.272 174.658 176.000 -0.117 0.000 1.098 308 Q CA -0.926 54.796 55.803 -0.136 0.000 0.827 308 Q CB 2.567 31.222 28.738 -0.140 0.000 1.386 308 Q HN 0.668 nan 8.270 nan 0.000 0.443 309 D N -0.898 119.534 120.400 0.052 0.000 2.671 309 D HA 0.213 4.853 4.640 -0.000 0.000 0.273 309 D C -1.729 174.633 176.300 0.104 0.000 1.264 309 D CA -0.550 53.529 54.000 0.131 0.000 0.788 309 D CB 1.252 42.183 40.800 0.218 0.000 1.324 309 D HN 0.544 nan 8.370 nan 0.000 0.424 310 H N 0.844 120.041 119.070 0.211 0.000 2.690 310 H HA 0.402 4.958 4.556 -0.000 0.000 0.289 310 H C -1.788 173.535 175.328 -0.008 0.000 1.089 310 H CA -1.684 54.394 56.048 0.051 0.000 1.299 310 H CB 1.178 30.944 29.762 0.006 0.000 1.405 310 H HN 0.010 nan 8.280 nan 0.000 0.463 311 P HA 0.020 nan 4.420 nan 0.000 0.274 311 P C -0.367 176.936 177.300 0.005 0.000 1.231 311 P CA -0.123 62.919 63.100 -0.097 0.000 0.790 311 P CB 1.488 32.985 31.700 -0.340 0.000 0.951 312 E N 0.776 120.983 120.200 0.011 0.000 2.292 312 E HA 0.578 4.928 4.350 -0.000 0.000 0.272 312 E C -0.753 175.905 176.600 0.097 0.000 0.881 312 E CA -0.896 55.523 56.400 0.031 0.000 0.754 312 E CB 1.594 31.247 29.700 -0.078 0.000 1.201 312 E HN 0.531 nan 8.360 nan 0.000 0.425 313 G N 1.272 110.139 108.800 0.112 0.000 2.667 313 G HA2 0.632 4.592 3.960 -0.000 0.000 0.310 313 G HA3 0.632 4.592 3.960 -0.000 0.000 0.310 313 G C -1.277 173.703 174.900 0.134 0.000 1.259 313 G CA -0.493 44.680 45.100 0.123 0.000 1.019 313 G HN 0.398 nan 8.290 nan 0.000 0.496 314 V N -0.881 119.137 119.914 0.174 0.000 2.971 314 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 314 V C -1.204 174.990 176.094 0.166 0.000 1.130 314 V CA -0.571 61.843 62.300 0.190 0.000 0.964 314 V CB 2.295 34.271 31.823 0.254 0.000 1.029 314 V HN 0.594 nan 8.190 nan 0.000 0.427 315 V N 5.986 125.937 119.914 0.063 0.000 2.444 315 V HA 0.552 4.672 4.120 -0.000 0.000 0.294 315 V C -0.476 175.451 176.094 -0.279 0.000 1.022 315 V CA -0.524 61.682 62.300 -0.156 0.000 0.850 315 V CB 1.692 33.418 31.823 -0.162 0.000 0.992 315 V HN 0.947 nan 8.190 nan 0.000 0.426 316 Q N 3.818 123.360 119.800 -0.431 0.000 2.312 316 Q HA 0.708 5.048 4.340 -0.000 0.000 0.263 316 Q C -1.602 173.971 176.000 -0.712 0.000 0.995 316 Q CA -0.331 55.225 55.803 -0.412 0.000 0.853 316 Q CB 2.646 31.291 28.738 -0.155 0.000 1.300 316 Q HN 0.657 nan 8.270 nan 0.000 0.448 317 F N 0.356 120.088 119.950 -0.364 0.000 2.563 317 F HA 0.331 4.858 4.527 -0.000 0.000 0.316 317 F C 0.359 175.961 175.800 -0.330 0.000 1.076 317 F CA -1.082 56.674 58.000 -0.407 0.000 0.921 317 F CB 1.592 40.160 39.000 -0.720 0.000 1.209 317 F HN 0.370 nan 8.300 nan 0.000 0.462 318 E N 1.208 121.444 120.200 0.060 0.000 2.373 318 E HA 0.544 4.894 4.350 -0.000 0.000 0.263 318 E C -0.484 176.233 176.600 0.195 0.000 1.073 318 E CA -0.718 55.742 56.400 0.099 0.000 0.894 318 E CB 1.081 30.843 29.700 0.103 0.000 1.008 318 E HN 0.629 nan 8.360 nan 0.000 0.420 319 A N 1.782 124.784 122.820 0.303 0.000 2.304 319 A HA 0.153 4.473 4.320 -0.000 0.000 0.271 319 A C 0.510 178.272 177.584 0.297 0.000 1.091 319 A CA -0.364 51.963 52.037 0.484 0.000 0.812 319 A CB 0.551 19.924 19.000 0.621 0.000 1.056 319 A HN 0.648 nan 8.150 nan 0.000 0.489 320 K N -0.410 120.138 120.400 0.246 0.000 2.393 320 K HA 0.081 4.400 4.320 -0.000 0.000 0.193 320 K C -0.007 176.568 176.600 -0.042 0.000 1.026 320 K CA 0.697 57.015 56.287 0.053 0.000 1.064 320 K CB 0.231 32.713 32.500 -0.030 0.000 0.833 320 K HN 0.747 nan 8.250 nan 0.000 0.521 321 Q N -0.096 119.696 119.800 -0.012 0.000 2.421 321 Q HA 0.315 4.655 4.340 -0.000 0.000 0.280 321 Q C -2.806 173.323 176.000 0.216 0.000 1.085 321 Q CA -2.557 53.192 55.803 -0.090 0.000 0.807 321 Q CB 1.946 30.303 28.738 -0.635 0.000 1.405 321 Q HN -0.197 nan 8.270 nan 0.000 0.419 322 P HA -0.079 nan 4.420 nan 0.000 0.261 322 P C -0.564 176.944 177.300 0.347 0.000 1.183 322 P CA 0.579 63.809 63.100 0.217 0.000 0.761 322 P CB 0.377 32.166 31.700 0.147 0.000 0.785 323 M N 2.745 122.535 119.600 0.316 0.000 2.157 323 M HA 0.069 4.549 4.480 -0.000 0.000 0.304 323 M C 0.431 176.858 176.300 0.211 0.000 1.171 323 M CA -0.482 54.982 55.300 0.273 0.000 1.157 323 M CB 0.053 32.791 32.600 0.229 0.000 1.403 323 M HN 0.105 nan 8.290 nan 0.000 0.473 324 V N 0.466 120.475 119.914 0.157 0.000 2.694 324 V HA 0.232 4.351 4.120 -0.000 0.000 0.306 324 V C 0.940 177.157 176.094 0.206 0.000 1.054 324 V CA -0.080 62.303 62.300 0.138 0.000 1.161 324 V CB -0.511 31.349 31.823 0.061 0.000 0.916 324 V HN 0.925 nan 8.190 nan 0.000 0.490 325 A N 2.664 125.591 122.820 0.179 0.000 2.308 325 A HA 0.402 4.722 4.320 -0.000 0.000 0.217 325 A C 0.654 178.395 177.584 0.261 0.000 1.216 325 A CA -0.043 52.137 52.037 0.238 0.000 0.864 325 A CB -0.358 18.740 19.000 0.163 0.000 0.902 325 A HN 0.964 nan 8.150 nan 0.000 0.499 326 E N -1.295 118.958 120.200 0.088 0.000 2.331 326 E HA 0.621 4.970 4.350 -0.000 0.000 0.275 326 E C -1.220 175.136 176.600 -0.407 0.000 0.895 326 E CA -0.385 55.952 56.400 -0.105 0.000 0.753 326 E CB 2.124 31.805 29.700 -0.032 0.000 1.216 326 E HN 0.091 nan 8.360 nan 0.000 0.434 327 S N -0.613 114.657 115.700 -0.716 0.000 2.625 327 S HA 0.277 4.747 4.470 -0.000 0.000 0.271 327 S C 0.713 175.016 174.600 -0.496 0.000 1.161 327 S CA -0.095 57.669 58.200 -0.726 0.000 0.820 327 S CB 1.239 63.656 63.200 -1.305 0.000 1.137 327 S HN 0.677 nan 8.310 nan 0.000 0.470 328 T N 0.551 114.939 114.554 -0.277 0.000 2.708 328 T HA -0.096 4.253 4.350 -0.000 0.000 0.266 328 T C 0.812 175.456 174.700 -0.093 0.000 1.037 328 T CA 1.924 63.951 62.100 -0.121 0.000 1.146 328 T CB -0.344 68.516 68.868 -0.013 0.000 0.865 328 T HN 0.706 nan 8.240 nan 0.000 0.435 329 Q N -2.159 117.560 119.800 -0.135 0.000 1.753 329 Q HA 0.279 4.619 4.340 -0.000 0.000 0.170 329 Q C 0.176 176.498 176.000 0.536 0.000 0.799 329 Q CA -0.622 55.328 55.803 0.245 0.000 0.842 329 Q CB -1.298 27.617 28.738 0.295 0.000 1.238 329 Q HN 0.564 nan 8.270 nan 0.000 0.381 330 W N -1.999 119.484 121.300 0.305 0.000 1.277 330 W HA -0.218 4.441 4.660 -0.000 0.000 0.236 330 W C -0.630 175.773 176.519 -0.193 0.000 0.973 330 W CA 0.860 58.263 57.345 0.096 0.000 0.390 330 W CB -1.507 28.068 29.460 0.191 0.000 1.977 330 W HN 0.397 nan 8.180 nan 0.000 1.223 331 W N 1.396 122.880 121.300 0.307 0.000 2.291 331 W HA 0.524 5.184 4.660 -0.000 0.000 0.288 331 W C 0.863 177.621 176.519 0.398 0.000 0.976 331 W CA -0.492 57.019 57.345 0.277 0.000 1.744 331 W CB -0.040 29.594 29.460 0.290 0.000 1.815 331 W HN -0.149 nan 8.180 nan 0.000 0.396 332 E N 0.812 121.243 120.200 0.385 0.000 2.452 332 E HA 0.197 4.547 4.350 -0.000 0.000 0.197 332 E C 0.339 176.944 176.600 0.007 0.000 1.022 332 E CA 0.348 56.974 56.400 0.376 0.000 0.890 332 E CB 0.932 30.803 29.700 0.286 0.000 0.918 332 E HN 0.273 nan 8.360 nan 0.000 0.496 333 I N 0.179 120.678 120.570 -0.117 0.000 2.569 333 I HA 0.433 4.603 4.170 -0.000 0.000 0.296 333 I C -0.028 175.759 176.117 -0.550 0.000 1.028 333 I CA -0.752 60.198 61.300 -0.583 0.000 1.082 333 I CB 2.251 39.967 38.000 -0.472 0.000 1.264 333 I HN -0.135 nan 8.210 nan 0.000 0.429 334 G N 5.973 114.259 108.800 -0.856 0.000 2.682 334 G HA2 0.793 4.753 3.960 -0.000 0.000 0.300 334 G HA3 0.793 4.753 3.960 -0.000 0.000 0.300 334 G C -1.354 173.330 174.900 -0.359 0.000 1.391 334 G CA -0.356 44.486 45.100 -0.431 0.000 0.990 334 G HN 0.436 nan 8.290 nan 0.000 0.501 335 I N 1.168 121.460 120.570 -0.464 0.000 2.500 335 I HA 0.358 4.528 4.170 -0.000 0.000 0.286 335 I C -1.143 174.704 176.117 -0.450 0.000 1.063 335 I CA -0.495 60.617 61.300 -0.313 0.000 1.062 335 I CB 1.866 39.780 38.000 -0.143 0.000 1.223 335 I HN 0.274 nan 8.210 nan 0.000 0.435 336 F N 3.567 123.571 119.950 0.090 0.000 2.450 336 F HA 0.722 5.249 4.527 -0.000 0.000 0.332 336 F C 0.516 176.349 175.800 0.055 0.000 1.093 336 F CA -0.687 57.350 58.000 0.061 0.000 1.003 336 F CB 2.117 41.159 39.000 0.070 0.000 1.151 336 F HN 0.245 nan 8.300 nan 0.000 0.474 337 T N 3.458 118.151 114.554 0.232 0.000 3.225 337 T HA 0.386 4.736 4.350 -0.000 0.000 0.356 337 T C -3.163 171.611 174.700 0.123 0.000 1.460 337 T CA -1.288 60.899 62.100 0.144 0.000 1.126 337 T CB 1.767 70.692 68.868 0.094 0.000 1.321 337 T HN 0.311 nan 8.240 nan 0.000 0.478 338 P HA 0.336 nan 4.420 nan 0.000 0.292 338 P C 0.810 178.155 177.300 0.075 0.000 1.283 338 P CA -0.439 62.714 63.100 0.089 0.000 0.835 338 P CB 1.277 33.020 31.700 0.072 0.000 1.017 339 T N -0.255 114.347 114.554 0.080 0.000 2.857 339 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 339 T C 0.493 175.231 174.700 0.062 0.000 1.048 339 T CA 0.929 63.070 62.100 0.068 0.000 1.139 339 T CB -0.284 68.628 68.868 0.073 0.000 0.874 339 T HN 0.453 nan 8.240 nan 0.000 0.455 340 E N 0.621 120.861 120.200 0.067 0.000 2.355 340 E HA 0.514 4.864 4.350 -0.000 0.000 0.261 340 E C -1.372 175.256 176.600 0.046 0.000 0.943 340 E CA -1.110 55.324 56.400 0.057 0.000 0.806 340 E CB 0.890 30.629 29.700 0.065 0.000 1.286 340 E HN 0.008 nan 8.360 nan 0.000 0.424 341 D N -0.497 119.925 120.400 0.037 0.000 2.344 341 D HA 0.342 4.982 4.640 -0.000 0.000 0.244 341 D C 0.686 177.001 176.300 0.024 0.000 1.134 341 D CA 1.089 55.106 54.000 0.028 0.000 0.930 341 D CB 1.046 41.859 40.800 0.023 0.000 1.175 341 D HN 0.668 nan 8.370 nan 0.000 0.437 342 G N 0.568 109.378 108.800 0.018 0.000 2.160 342 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.251 342 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.251 342 G C 0.024 174.928 174.900 0.007 0.000 1.008 342 G CA -0.001 45.105 45.100 0.010 0.000 0.724 342 G HN 0.374 nan 8.290 nan 0.000 0.514 343 L N 0.370 121.600 121.223 0.012 0.000 2.357 343 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 343 L C 1.284 178.152 176.870 -0.003 0.000 1.080 343 L CA -0.331 54.512 54.840 0.005 0.000 0.803 343 L CB 0.993 43.065 42.059 0.022 0.000 1.174 343 L HN 0.261 nan 8.230 nan 0.000 0.443 344 D N 0.228 120.617 120.400 -0.017 0.000 2.360 344 D HA 0.040 4.680 4.640 -0.000 0.000 0.210 344 D C 0.448 176.734 176.300 -0.024 0.000 1.047 344 D CA 0.135 54.123 54.000 -0.020 0.000 0.854 344 D CB 0.404 41.189 40.800 -0.024 0.000 0.936 344 D HN 0.337 nan 8.370 nan 0.000 0.514 345 R N 0.415 120.899 120.500 -0.027 0.000 2.744 345 R HA 0.500 4.840 4.340 -0.000 0.000 0.279 345 R C -2.692 173.620 176.300 0.020 0.000 0.977 345 R CA -1.942 54.147 56.100 -0.019 0.000 0.906 345 R CB 2.355 32.643 30.300 -0.019 0.000 1.197 345 R HN -0.032 nan 8.270 nan 0.000 0.463 346 P HA 0.001 nan 4.420 nan 0.000 0.275 346 P C -0.686 176.713 177.300 0.164 0.000 1.227 346 P CA 0.053 63.220 63.100 0.112 0.000 0.781 346 P CB 0.919 32.724 31.700 0.176 0.000 0.906 347 D N 1.133 121.635 120.400 0.170 0.000 2.340 347 D HA 0.136 4.776 4.640 -0.000 0.000 0.217 347 D C -0.046 176.368 176.300 0.190 0.000 1.081 347 D CA 0.164 54.299 54.000 0.224 0.000 0.842 347 D CB 0.371 41.329 40.800 0.262 0.000 0.934 347 D HN 0.192 nan 8.370 nan 0.000 0.511 348 L N 0.391 121.712 121.223 0.164 0.000 2.393 348 L HA 0.559 4.898 4.340 -0.000 0.000 0.260 348 L C -1.596 175.352 176.870 0.129 0.000 1.002 348 L CA -0.599 54.315 54.840 0.122 0.000 0.818 348 L CB 2.557 44.673 42.059 0.095 0.000 1.369 348 L HN -0.190 nan 8.230 nan 0.000 0.412 349 M N 3.764 123.395 119.600 0.051 0.000 2.520 349 M HA 0.608 5.088 4.480 -0.000 0.000 0.280 349 M C -2.160 174.116 176.300 -0.041 0.000 1.232 349 M CA -0.439 54.816 55.300 -0.074 0.000 0.892 349 M CB 2.372 34.903 32.600 -0.116 0.000 1.728 349 M HN 0.739 nan 8.290 nan 0.000 0.475 350 M N 2.316 121.854 119.600 -0.102 0.000 2.393 350 M HA 0.435 4.915 4.480 -0.000 0.000 0.299 350 M C -1.588 174.731 176.300 0.032 0.000 1.103 350 M CA -0.617 54.714 55.300 0.050 0.000 0.910 350 M CB 2.403 35.051 32.600 0.079 0.000 1.659 350 M HN 0.670 nan 8.290 nan 0.000 0.445 351 H N 0.448 119.646 119.070 0.214 0.000 2.482 351 H HA 0.389 4.945 4.556 -0.000 0.000 0.344 351 H C -1.459 174.120 175.328 0.418 0.000 1.151 351 H CA -0.064 56.216 56.048 0.388 0.000 1.300 351 H CB 0.842 30.914 29.762 0.517 0.000 1.494 351 H HN 0.520 nan 8.280 nan 0.000 0.542 352 Y N 0.686 121.170 120.300 0.306 0.000 2.360 352 Y HA 0.555 5.105 4.550 -0.000 0.000 0.337 352 Y C -0.187 175.690 175.900 -0.040 0.000 1.039 352 Y CA -1.145 57.021 58.100 0.110 0.000 1.109 352 Y CB 1.163 39.570 38.460 -0.089 0.000 1.201 352 Y HN 0.718 nan 8.280 nan 0.000 0.458 353 G N 2.659 110.865 108.800 -0.990 0.000 2.574 353 G HA2 0.343 4.303 3.960 -0.000 0.000 0.306 353 G HA3 0.343 4.303 3.960 -0.000 0.000 0.306 353 G C -0.170 174.033 174.900 -1.162 0.000 1.334 353 G CA -0.444 43.645 45.100 -1.686 0.000 0.954 353 G HN 0.882 nan 8.290 nan 0.000 0.500 354 S N 0.333 115.464 115.700 -0.948 0.000 2.803 354 S HA 0.182 4.651 4.470 -0.000 0.000 0.226 354 S C 0.764 175.309 174.600 -0.091 0.000 0.962 354 S CA 0.398 58.353 58.200 -0.408 0.000 0.968 354 S CB -0.823 62.268 63.200 -0.181 0.000 0.786 354 S HN 1.354 nan 8.310 nan 0.000 0.527 355 V N -3.688 116.106 119.914 -0.200 0.000 3.078 355 V HA 0.749 4.869 4.120 -0.000 0.000 0.311 355 V C -2.946 173.146 176.094 -0.002 0.000 1.138 355 V CA -2.918 59.347 62.300 -0.057 0.000 1.007 355 V CB 1.777 33.549 31.823 -0.085 0.000 1.045 355 V HN -0.036 nan 8.190 nan 0.000 0.432 356 P HA 0.321 nan 4.420 nan 0.000 0.275 356 P C -1.114 176.354 177.300 0.280 0.000 1.270 356 P CA 0.088 63.261 63.100 0.122 0.000 0.791 356 P CB 0.516 32.258 31.700 0.071 0.000 1.089 357 F N 0.722 120.721 119.950 0.082 0.000 3.483 357 F HA 0.163 4.689 4.527 -0.000 0.000 0.402 357 F C -0.378 175.465 175.800 0.072 0.000 1.202 357 F CA -0.605 57.475 58.000 0.133 0.000 1.337 357 F CB 0.121 39.303 39.000 0.304 0.000 2.157 357 F HN 0.095 nan 8.300 nan 0.000 0.723 358 D N 3.011 123.303 120.400 -0.181 0.000 2.339 358 D HA -0.026 4.614 4.640 -0.000 0.000 0.217 358 D C 2.101 178.227 176.300 -0.289 0.000 1.050 358 D CA 0.220 54.125 54.000 -0.159 0.000 0.856 358 D CB -0.058 40.694 40.800 -0.081 0.000 0.922 358 D HN 0.599 nan 8.370 nan 0.000 0.518 359 M N 0.387 119.621 119.600 -0.611 0.000 2.143 359 M HA -0.211 4.269 4.480 -0.000 0.000 0.258 359 M C 0.367 176.498 176.300 -0.283 0.000 1.071 359 M CA 1.566 56.563 55.300 -0.505 0.000 1.088 359 M CB 0.052 32.211 32.600 -0.735 0.000 1.360 359 M HN -0.027 nan 8.290 nan 0.000 0.404 360 N N -1.137 117.419 118.700 -0.241 0.000 2.184 360 N HA 0.069 4.808 4.740 -0.000 0.000 0.206 360 N C 1.231 176.718 175.510 -0.039 0.000 1.151 360 N CA 1.162 54.134 53.050 -0.129 0.000 0.878 360 N CB 0.522 38.931 38.487 -0.130 0.000 1.014 360 N HN 0.540 nan 8.380 nan 0.000 0.512 361 T N -2.120 112.419 114.554 -0.025 0.000 2.990 361 T HA 0.104 4.453 4.350 -0.000 0.000 0.250 361 T C 1.785 176.584 174.700 0.165 0.000 1.041 361 T CA -0.090 62.090 62.100 0.132 0.000 1.010 361 T CB 0.003 68.916 68.868 0.074 0.000 1.003 361 T HN -0.092 nan 8.240 nan 0.000 0.499 362 L N 2.846 124.077 121.223 0.014 0.000 2.046 362 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 362 L C 2.617 179.443 176.870 -0.074 0.000 1.077 362 L CA 1.831 56.658 54.840 -0.023 0.000 0.747 362 L CB -0.576 41.442 42.059 -0.069 0.000 0.896 362 L HN 0.433 nan 8.230 nan 0.000 0.432 363 R N -2.414 117.987 120.500 -0.165 0.000 2.280 363 R HA -0.060 4.280 4.340 -0.000 0.000 0.207 363 R C 1.129 177.183 176.300 -0.410 0.000 1.043 363 R CA 1.143 57.039 56.100 -0.340 0.000 1.006 363 R CB -0.643 29.314 30.300 -0.572 0.000 0.885 363 R HN 0.474 nan 8.270 nan 0.000 0.467 364 H N -0.071 118.939 119.070 -0.100 0.000 2.652 364 H HA 0.212 4.768 4.556 -0.000 0.000 0.274 364 H C 0.683 175.881 175.328 -0.217 0.000 1.021 364 H CA 0.517 56.498 56.048 -0.112 0.000 1.187 364 H CB 1.360 31.129 29.762 0.011 0.000 1.505 364 H HN 0.550 nan 8.280 nan 0.000 0.530 365 G N 0.938 109.694 108.800 -0.073 0.000 2.142 365 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.225 365 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.225 365 G C -0.456 174.347 174.900 -0.163 0.000 1.015 365 G CA -0.335 44.688 45.100 -0.128 0.000 0.716 365 G HN 0.320 nan 8.290 nan 0.000 0.508 366 Y N 0.995 121.312 120.300 0.029 0.000 2.304 366 Y HA 0.451 5.000 4.550 -0.000 0.000 0.327 366 Y C -0.869 175.033 175.900 0.004 0.000 1.209 366 Y CA -1.607 56.510 58.100 0.028 0.000 1.299 366 Y CB 0.666 39.163 38.460 0.062 0.000 1.249 366 Y HN 0.066 nan 8.280 nan 0.000 0.519 367 P HA 0.109 nan 4.420 nan 0.000 0.272 367 P C -0.664 176.678 177.300 0.069 0.000 1.254 367 P CA -0.180 62.965 63.100 0.076 0.000 0.795 367 P CB 0.610 32.345 31.700 0.058 0.000 1.022 368 T N -4.006 110.571 114.554 0.039 0.000 2.883 368 T HA 0.679 5.029 4.350 -0.000 0.000 0.296 368 T C -0.724 173.991 174.700 0.025 0.000 1.117 368 T CA -0.710 61.407 62.100 0.028 0.000 1.006 368 T CB 1.742 70.618 68.868 0.013 0.000 1.191 368 T HN 0.537 nan 8.240 nan 0.000 0.508 369 T N -0.687 113.881 114.554 0.024 0.000 2.853 369 T HA 0.448 4.797 4.350 -0.000 0.000 0.311 369 T C -0.566 174.151 174.700 0.028 0.000 1.307 369 T CA -0.444 61.675 62.100 0.031 0.000 1.019 369 T CB 2.262 71.157 68.868 0.045 0.000 1.264 369 T HN 0.818 nan 8.240 nan 0.000 0.497 370 E N 1.414 121.633 120.200 0.032 0.000 2.476 370 E HA 0.288 4.638 4.350 -0.000 0.000 0.196 370 E C -0.368 176.262 176.600 0.051 0.000 1.029 370 E CA -0.012 56.404 56.400 0.027 0.000 0.896 370 E CB 0.269 29.980 29.700 0.018 0.000 1.012 370 E HN 0.409 nan 8.360 nan 0.000 0.475 371 N N -0.446 118.300 118.700 0.077 0.000 2.629 371 N HA 0.429 5.169 4.740 -0.000 0.000 0.277 371 N C -1.058 174.547 175.510 0.159 0.000 1.188 371 N CA -0.109 53.016 53.050 0.124 0.000 0.835 371 N CB 1.439 40.007 38.487 0.136 0.000 1.420 371 N HN 0.121 nan 8.380 nan 0.000 0.542 372 G N 0.758 109.667 108.800 0.181 0.000 2.489 372 G HA2 0.571 4.531 3.960 -0.000 0.000 0.305 372 G HA3 0.571 4.531 3.960 -0.000 0.000 0.305 372 G C -1.884 173.176 174.900 0.266 0.000 1.311 372 G CA -0.643 44.574 45.100 0.195 0.000 0.813 372 G HN 0.427 nan 8.290 nan 0.000 0.480 373 F N -1.765 118.269 119.950 0.140 0.000 2.711 373 F HA 0.903 5.430 4.527 -0.000 0.000 0.313 373 F C -0.588 175.295 175.800 0.138 0.000 1.141 373 F CA -1.305 56.736 58.000 0.069 0.000 0.941 373 F CB 1.685 40.777 39.000 0.154 0.000 1.349 373 F HN 0.547 nan 8.300 nan 0.000 0.464 374 S N 1.123 116.972 115.700 0.249 0.000 2.540 374 S HA 0.768 5.238 4.470 -0.000 0.000 0.275 374 S C -1.426 173.372 174.600 0.330 0.000 1.123 374 S CA -0.685 57.633 58.200 0.197 0.000 0.907 374 S CB 1.874 65.169 63.200 0.159 0.000 1.081 374 S HN 0.651 nan 8.310 nan 0.000 0.476 375 L N 2.657 124.087 121.223 0.345 0.000 2.325 375 L HA 0.514 4.854 4.340 -0.000 0.000 0.281 375 L C -0.012 177.037 176.870 0.298 0.000 1.004 375 L CA -0.528 54.529 54.840 0.362 0.000 0.823 375 L CB 1.857 44.132 42.059 0.359 0.000 1.236 375 L HN 0.747 nan 8.230 nan 0.000 0.415 376 T N 0.339 115.096 114.554 0.338 0.000 3.145 376 T HA 0.395 4.744 4.350 -0.000 0.000 0.362 376 T C -2.523 172.296 174.700 0.198 0.000 1.340 376 T CA -2.116 60.124 62.100 0.233 0.000 1.069 376 T CB 0.331 69.278 68.868 0.132 0.000 1.129 376 T HN 0.168 nan 8.240 nan 0.000 0.585 377 P HA 0.194 nan 4.420 nan 0.000 0.268 377 P C -0.630 176.736 177.300 0.111 0.000 1.204 377 P CA -0.159 63.015 63.100 0.125 0.000 0.768 377 P CB 0.609 32.375 31.700 0.110 0.000 0.842 378 N N 0.651 119.407 118.700 0.094 0.000 2.405 378 N HA 0.409 5.149 4.740 -0.000 0.000 0.285 378 N C -1.447 174.102 175.510 0.065 0.000 1.262 378 N CA -1.095 52.001 53.050 0.077 0.000 0.773 378 N CB 1.154 39.676 38.487 0.059 0.000 1.490 378 N HN -0.029 nan 8.380 nan 0.000 0.486 379 V N 1.574 121.541 119.914 0.088 0.000 2.334 379 V HA 0.179 4.298 4.120 -0.000 0.000 0.267 379 V C 1.549 177.717 176.094 0.124 0.000 1.040 379 V CA -0.131 62.237 62.300 0.114 0.000 0.866 379 V CB -0.038 31.862 31.823 0.129 0.000 1.019 379 V HN 1.044 nan 8.190 nan 0.000 0.468 380 T N 1.049 115.643 114.554 0.067 0.000 2.833 380 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 380 T C 0.675 175.337 174.700 -0.062 0.000 1.054 380 T CA 1.179 63.217 62.100 -0.102 0.000 1.135 380 T CB -0.260 68.618 68.868 0.016 0.000 0.869 380 T HN 0.679 nan 8.240 nan 0.000 0.466 381 H N 1.201 120.405 119.070 0.223 0.000 2.423 381 H HA 0.712 5.267 4.556 -0.000 0.000 0.237 381 H C -0.002 175.477 175.328 0.251 0.000 1.391 381 H CA -0.451 55.733 56.048 0.228 0.000 1.453 381 H CB 0.225 30.086 29.762 0.165 0.000 1.484 381 H HN 0.528 nan 8.280 nan 0.000 0.505 382 A N 1.436 124.429 122.820 0.287 0.000 2.511 382 A HA 0.144 4.463 4.320 -0.000 0.000 0.242 382 A C 1.084 178.777 177.584 0.181 0.000 1.069 382 A CA -0.228 51.953 52.037 0.241 0.000 0.763 382 A CB 0.410 19.495 19.000 0.142 0.000 1.001 382 A HN 0.841 nan 8.150 nan 0.000 0.498 383 R N 1.295 121.901 120.500 0.177 0.000 2.290 383 R HA 0.088 4.428 4.340 -0.000 0.000 0.197 383 R C 0.291 176.626 176.300 0.057 0.000 0.913 383 R CA 0.241 56.396 56.100 0.091 0.000 1.040 383 R CB 0.150 30.485 30.300 0.060 0.000 0.992 383 R HN 0.678 nan 8.270 nan 0.000 0.500 384 S N 1.293 117.019 115.700 0.043 0.000 2.579 384 S HA 0.211 4.681 4.470 -0.000 0.000 0.275 384 S C 0.116 174.686 174.600 -0.050 0.000 1.345 384 S CA -0.051 58.140 58.200 -0.015 0.000 1.031 384 S CB 0.739 63.901 63.200 -0.064 0.000 0.892 384 S HN 0.100 nan 8.310 nan 0.000 0.529 385 R N 0.776 121.234 120.500 -0.069 0.000 2.574 385 R HA 0.623 4.963 4.340 -0.000 0.000 0.288 385 R C 0.208 176.433 176.300 -0.125 0.000 1.004 385 R CA -0.492 55.561 56.100 -0.078 0.000 0.895 385 R CB 1.578 31.864 30.300 -0.023 0.000 1.191 385 R HN 0.805 nan 8.270 nan 0.000 0.444 386 G N 0.043 108.744 108.800 -0.165 0.000 3.016 386 G HA2 0.688 4.648 3.960 -0.000 0.000 0.270 386 G HA3 0.688 4.648 3.960 -0.000 0.000 0.270 386 G C -0.849 173.935 174.900 -0.194 0.000 1.352 386 G CA -0.364 44.617 45.100 -0.198 0.000 1.060 386 G HN 0.504 nan 8.290 nan 0.000 0.538 387 T N -3.452 110.984 114.554 -0.198 0.000 2.883 387 T HA 0.658 5.008 4.350 -0.000 0.000 0.296 387 T C -1.317 173.259 174.700 -0.206 0.000 1.117 387 T CA -0.707 61.267 62.100 -0.209 0.000 1.006 387 T CB 1.905 70.645 68.868 -0.214 0.000 1.191 387 T HN 0.611 nan 8.240 nan 0.000 0.508 388 V N 1.586 121.373 119.914 -0.212 0.000 2.443 388 V HA 0.621 4.741 4.120 -0.000 0.000 0.293 388 V C -0.174 175.812 176.094 -0.180 0.000 1.021 388 V CA -0.736 61.441 62.300 -0.205 0.000 0.848 388 V CB 1.370 33.060 31.823 -0.222 0.000 0.998 388 V HN 0.838 nan 8.190 nan 0.000 0.424 389 R N 3.336 123.744 120.500 -0.153 0.000 2.854 389 R HA 0.699 5.039 4.340 -0.000 0.000 0.271 389 R C -1.017 175.311 176.300 0.046 0.000 0.994 389 R CA -1.000 55.049 56.100 -0.084 0.000 0.945 389 R CB 2.315 32.458 30.300 -0.263 0.000 1.194 389 R HN 0.533 nan 8.270 nan 0.000 0.476 390 L N 1.785 123.161 121.223 0.255 0.000 2.461 390 L HA 0.197 4.537 4.340 -0.000 0.000 0.272 390 L C 1.751 178.495 176.870 -0.210 0.000 1.197 390 L CA 0.315 55.099 54.840 -0.093 0.000 0.836 390 L CB 0.473 42.346 42.059 -0.310 0.000 1.105 390 L HN 0.592 nan 8.230 nan 0.000 0.477 391 R N 0.369 120.725 120.500 -0.239 0.000 2.206 391 R HA 0.076 4.416 4.340 -0.000 0.000 0.198 391 R C 0.275 176.402 176.300 -0.289 0.000 0.986 391 R CA 0.762 56.751 56.100 -0.187 0.000 1.029 391 R CB 0.503 30.759 30.300 -0.074 0.000 0.966 391 R HN 0.907 nan 8.270 nan 0.000 0.487 392 S N -1.488 113.996 115.700 -0.360 0.000 2.724 392 S HA 0.155 4.625 4.470 -0.000 0.000 0.278 392 S C 0.017 174.496 174.600 -0.201 0.000 1.190 392 S CA -1.030 57.023 58.200 -0.246 0.000 0.860 392 S CB 0.783 63.959 63.200 -0.040 0.000 1.206 392 S HN 0.297 nan 8.310 nan 0.000 0.507 393 R N -0.033 120.438 120.500 -0.048 0.000 2.320 393 R HA 0.235 4.575 4.340 -0.000 0.000 0.211 393 R C -0.516 175.794 176.300 0.017 0.000 0.931 393 R CA 0.044 56.136 56.100 -0.014 0.000 1.071 393 R CB -0.434 29.883 30.300 0.028 0.000 1.025 393 R HN 0.524 nan 8.270 nan 0.000 0.495 394 D N 1.593 121.989 120.400 -0.007 0.000 2.396 394 D HA -0.016 4.623 4.640 -0.000 0.000 0.225 394 D C 0.986 177.255 176.300 -0.051 0.000 1.121 394 D CA -0.959 53.034 54.000 -0.013 0.000 0.853 394 D CB 0.519 41.284 40.800 -0.059 0.000 1.043 394 D HN 0.214 nan 8.370 nan 0.000 0.500 395 F N 3.737 123.666 119.950 -0.035 0.000 2.214 395 F HA -0.260 4.267 4.527 -0.001 0.000 0.302 395 F C 1.399 177.185 175.800 -0.023 0.000 1.063 395 F CA 1.011 58.988 58.000 -0.037 0.000 1.319 395 F CB -0.313 38.667 39.000 -0.033 0.000 1.046 395 F HN 0.193 nan 8.300 nan 0.000 0.505 396 R N 0.556 120.575 120.500 -0.802 0.000 2.236 396 R HA 0.037 4.377 4.340 -0.000 0.000 0.208 396 R C -0.113 176.085 176.300 -0.170 0.000 1.036 396 R CA 0.633 56.413 56.100 -0.534 0.000 1.001 396 R CB -0.793 29.139 30.300 -0.613 0.000 0.896 396 R HN 0.283 nan 8.270 nan 0.000 0.464 397 D N 1.317 121.641 120.400 -0.128 0.000 2.341 397 D HA 0.092 4.732 4.640 -0.000 0.000 0.245 397 D C -0.166 176.135 176.300 0.002 0.000 1.106 397 D CA 0.078 54.051 54.000 -0.045 0.000 0.905 397 D CB 0.774 41.540 40.800 -0.056 0.000 1.202 397 D HN -0.082 nan 8.370 nan 0.000 0.426 398 K N 2.645 123.077 120.400 0.052 0.000 2.185 398 K HA 0.276 4.596 4.320 -0.000 0.000 0.271 398 K C -2.096 174.500 176.600 -0.007 0.000 1.013 398 K CA -1.393 54.960 56.287 0.110 0.000 0.943 398 K CB 0.727 33.370 32.500 0.237 0.000 0.998 398 K HN 0.294 nan 8.250 nan 0.000 0.468 399 P HA 0.007 nan 4.420 nan 0.000 0.272 399 P C -0.848 176.379 177.300 -0.122 0.000 1.230 399 P CA 0.011 63.014 63.100 -0.162 0.000 0.788 399 P CB 0.549 32.072 31.700 -0.294 0.000 0.949 400 M N 1.232 120.772 119.600 -0.100 0.000 2.063 400 M HA 0.273 4.753 4.480 -0.000 0.000 0.348 400 M C -0.425 175.810 176.300 -0.109 0.000 1.180 400 M CA -0.592 54.665 55.300 -0.072 0.000 1.059 400 M CB 0.916 33.490 32.600 -0.044 0.000 1.544 400 M HN -0.019 nan 8.290 nan 0.000 0.447 401 V N 2.375 122.233 119.914 -0.094 0.000 2.370 401 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 401 V C -0.668 175.382 176.094 -0.072 0.000 1.029 401 V CA -0.317 61.910 62.300 -0.122 0.000 0.870 401 V CB 1.511 33.263 31.823 -0.119 0.000 0.984 401 V HN 0.722 nan 8.190 nan 0.000 0.451 402 D N 6.139 126.466 120.400 -0.121 0.000 2.330 402 D HA 0.424 5.064 4.640 -0.000 0.000 0.249 402 D C -2.229 173.950 176.300 -0.202 0.000 1.306 402 D CA -1.599 52.333 54.000 -0.114 0.000 0.956 402 D CB 2.441 43.185 40.800 -0.094 0.000 1.261 402 D HN 0.187 nan 8.370 nan 0.000 0.544 403 P HA 0.064 nan 4.420 nan 0.000 0.236 403 P C -0.266 176.714 177.300 -0.533 0.000 1.177 403 P CA 0.139 62.905 63.100 -0.556 0.000 0.773 403 P CB 0.254 31.290 31.700 -1.106 0.000 0.878 404 R N -2.860 117.426 120.500 -0.357 0.000 3.525 404 R HA -0.197 4.142 4.340 -0.000 0.000 0.276 404 R C -0.574 175.632 176.300 -0.156 0.000 1.116 404 R CA 0.173 56.170 56.100 -0.171 0.000 0.745 404 R CB -3.304 26.927 30.300 -0.114 0.000 1.185 404 R HN 0.339 nan 8.270 nan 0.000 0.454 405 Y N 0.993 121.246 120.300 -0.080 0.000 3.032 405 Y HA -0.201 4.348 4.550 -0.000 0.000 0.344 405 Y C 1.367 177.202 175.900 -0.108 0.000 1.273 405 Y CA 1.045 58.970 58.100 -0.292 0.000 1.588 405 Y CB -0.074 38.179 38.460 -0.345 0.000 1.209 405 Y HN 0.183 nan 8.280 nan 0.000 0.597 406 F N 0.562 120.582 119.950 0.116 0.000 3.027 406 F HA -0.282 4.245 4.527 -0.000 0.000 0.276 406 F C 1.007 176.840 175.800 0.055 0.000 0.967 406 F CA 0.998 59.035 58.000 0.061 0.000 0.929 406 F CB -2.173 36.836 39.000 0.015 0.000 0.873 406 F HN 0.625 nan 8.300 nan 0.000 0.787 407 T N -3.828 110.811 114.554 0.142 0.000 3.040 407 T HA 0.227 4.577 4.350 -0.000 0.000 0.266 407 T C 0.180 174.928 174.700 0.080 0.000 1.005 407 T CA 0.077 62.237 62.100 0.100 0.000 0.906 407 T CB -0.162 68.739 68.868 0.056 0.000 1.082 407 T HN 0.446 nan 8.240 nan 0.000 0.531 408 D N 2.076 122.531 120.400 0.092 0.000 2.458 408 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 408 D C -1.326 175.028 176.300 0.090 0.000 1.146 408 D CA -1.320 52.731 54.000 0.085 0.000 0.877 408 D CB 0.887 41.752 40.800 0.108 0.000 1.176 408 D HN -0.035 nan 8.370 nan 0.000 0.461 409 P HA -0.238 nan 4.420 nan 0.000 0.217 409 P C 0.568 177.910 177.300 0.071 0.000 1.151 409 P CA 1.383 64.519 63.100 0.061 0.000 0.849 409 P CB 0.002 31.730 31.700 0.046 0.000 0.787 410 E N -1.591 118.659 120.200 0.085 0.000 2.427 410 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 410 E C 1.221 177.889 176.600 0.112 0.000 1.028 410 E CA 0.560 57.015 56.400 0.092 0.000 0.864 410 E CB -0.554 29.206 29.700 0.101 0.000 0.813 410 E HN 0.201 nan 8.360 nan 0.000 0.514 411 G N 2.384 111.262 108.800 0.129 0.000 2.246 411 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.273 411 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.273 411 G C 0.572 175.572 174.900 0.166 0.000 1.055 411 G CA 0.747 45.930 45.100 0.139 0.000 0.851 411 G HN 0.539 nan 8.290 nan 0.000 0.500 412 H N 0.245 119.379 119.070 0.107 0.000 2.321 412 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 412 H C 2.019 177.438 175.328 0.151 0.000 1.087 412 H CA 1.995 58.111 56.048 0.113 0.000 1.319 412 H CB 0.229 30.052 29.762 0.101 0.000 1.379 412 H HN 0.475 nan 8.280 nan 0.000 0.501 413 D N 0.460 120.960 120.400 0.167 0.000 2.144 413 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 413 D C 2.312 178.783 176.300 0.284 0.000 0.978 413 D CA 0.777 54.876 54.000 0.166 0.000 0.833 413 D CB -0.364 40.539 40.800 0.173 0.000 0.961 413 D HN 0.341 nan 8.370 nan 0.000 0.470 414 M N 1.373 121.152 119.600 0.299 0.000 2.086 414 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 414 M C 2.029 178.338 176.300 0.016 0.000 1.067 414 M CA 1.578 56.945 55.300 0.112 0.000 1.116 414 M CB -0.153 32.464 32.600 0.028 0.000 1.348 414 M HN -0.019 nan 8.290 nan 0.000 0.407 415 R N -1.343 119.162 120.500 0.008 0.000 2.075 415 R HA -0.018 4.321 4.340 -0.000 0.000 0.232 415 R C 1.803 178.087 176.300 -0.026 0.000 1.126 415 R CA 1.706 57.801 56.100 -0.009 0.000 0.963 415 R CB -1.627 28.679 30.300 0.011 0.000 0.858 415 R HN 0.273 nan 8.270 nan 0.000 0.435 416 V N 1.505 121.367 119.914 -0.088 0.000 2.324 416 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 416 V C 2.458 178.555 176.094 0.005 0.000 1.060 416 V CA 2.251 64.507 62.300 -0.073 0.000 1.042 416 V CB -0.486 31.228 31.823 -0.183 0.000 0.650 416 V HN 0.352 nan 8.190 nan 0.000 0.450 417 M N -0.493 119.128 119.600 0.036 0.000 2.123 417 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 417 M C 1.999 178.317 176.300 0.030 0.000 1.069 417 M CA 1.693 57.031 55.300 0.063 0.000 1.133 417 M CB -0.431 32.232 32.600 0.104 0.000 1.356 417 M HN 0.112 nan 8.290 nan 0.000 0.415 418 V N 0.632 120.547 119.914 0.002 0.000 2.252 418 V HA -0.332 3.787 4.120 -0.000 0.000 0.249 418 V C 2.565 178.669 176.094 0.016 0.000 1.056 418 V CA 2.093 64.394 62.300 0.002 0.000 1.022 418 V CB -1.722 30.096 31.823 -0.009 0.000 0.641 418 V HN 0.648 nan 8.190 nan 0.000 0.445 419 A N 0.343 123.174 122.820 0.018 0.000 1.917 419 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 419 A C 2.424 180.031 177.584 0.039 0.000 1.182 419 A CA 2.268 54.321 52.037 0.027 0.000 0.633 419 A CB -1.358 17.658 19.000 0.027 0.000 0.819 419 A HN 0.579 nan 8.150 nan 0.000 0.448 420 G N -0.073 108.755 108.800 0.045 0.000 2.446 420 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.217 420 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.217 420 G C 1.544 176.485 174.900 0.067 0.000 1.168 420 G CA 1.150 46.286 45.100 0.062 0.000 0.771 420 G HN 0.496 nan 8.290 nan 0.000 0.551 421 I N -0.070 120.535 120.570 0.058 0.000 2.142 421 I HA -0.169 4.001 4.170 -0.000 0.000 0.240 421 I C 2.943 179.086 176.117 0.043 0.000 1.078 421 I CA 1.238 62.566 61.300 0.047 0.000 1.343 421 I CB -0.301 37.709 38.000 0.018 0.000 1.046 421 I HN 0.096 nan 8.210 nan 0.000 0.405 422 R N 0.986 121.506 120.500 0.034 0.000 2.103 422 R HA -0.263 4.077 4.340 -0.000 0.000 0.242 422 R C 2.285 178.617 176.300 0.053 0.000 1.142 422 R CA 1.933 58.055 56.100 0.036 0.000 0.960 422 R CB -0.159 30.158 30.300 0.028 0.000 0.858 422 R HN 0.074 nan 8.270 nan 0.000 0.439 423 K N -0.105 120.329 120.400 0.057 0.000 2.155 423 K HA 0.024 4.343 4.320 -0.000 0.000 0.203 423 K C 1.627 178.276 176.600 0.081 0.000 1.052 423 K CA 1.455 57.779 56.287 0.061 0.000 0.948 423 K CB -0.124 32.409 32.500 0.056 0.000 0.728 423 K HN 0.211 nan 8.250 nan 0.000 0.448 424 A N 0.766 123.649 122.820 0.105 0.000 1.898 424 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 424 A C 2.131 179.842 177.584 0.212 0.000 1.181 424 A CA 1.442 53.575 52.037 0.159 0.000 0.620 424 A CB -0.449 18.660 19.000 0.182 0.000 0.819 424 A HN 0.327 nan 8.150 nan 0.000 0.442 425 R N -0.532 120.087 120.500 0.198 0.000 2.083 425 R HA -0.176 4.163 4.340 -0.000 0.000 0.237 425 R C 2.320 178.705 176.300 0.141 0.000 1.137 425 R CA 1.686 57.928 56.100 0.238 0.000 0.951 425 R CB -0.332 30.061 30.300 0.155 0.000 0.851 425 R HN 0.794 nan 8.270 nan 0.000 0.434 426 E N 0.856 121.111 120.200 0.092 0.000 2.023 426 E HA -0.234 4.115 4.350 -0.000 0.000 0.196 426 E C 1.941 178.565 176.600 0.039 0.000 1.003 426 E CA 1.581 58.015 56.400 0.056 0.000 0.809 426 E CB -0.090 29.637 29.700 0.045 0.000 0.755 426 E HN 0.269 nan 8.360 nan 0.000 0.449 427 I N 0.929 121.524 120.570 0.042 0.000 2.127 427 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 427 I C 2.617 178.726 176.117 -0.013 0.000 1.075 427 I CA 1.271 62.578 61.300 0.012 0.000 1.334 427 I CB -0.435 37.574 38.000 0.014 0.000 1.040 427 I HN 0.221 nan 8.210 nan 0.000 0.405 428 A N 0.496 123.316 122.820 0.001 0.000 2.019 428 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 428 A C 2.379 179.897 177.584 -0.110 0.000 1.164 428 A CA 1.699 53.676 52.037 -0.100 0.000 0.644 428 A CB -0.663 18.162 19.000 -0.292 0.000 0.805 428 A HN 0.475 nan 8.150 nan 0.000 0.449 429 A N -1.344 121.451 122.820 -0.041 0.000 2.206 429 A HA 0.142 4.462 4.320 -0.000 0.000 0.211 429 A C 1.211 178.787 177.584 -0.014 0.000 1.158 429 A CA 0.177 52.202 52.037 -0.020 0.000 0.761 429 A CB -0.167 18.845 19.000 0.019 0.000 0.801 429 A HN 0.471 nan 8.150 nan 0.000 0.473 430 Q N -0.246 119.543 119.800 -0.019 0.000 2.584 430 Q HA 0.113 4.453 4.340 -0.000 0.000 0.235 430 Q C -1.508 174.483 176.000 -0.015 0.000 1.079 430 Q CA -1.652 54.142 55.803 -0.015 0.000 0.977 430 Q CB -0.208 28.517 28.738 -0.022 0.000 1.293 430 Q HN 0.128 nan 8.270 nan 0.000 0.553 431 P HA -0.066 nan 4.420 nan 0.000 0.214 431 P C 0.529 177.826 177.300 -0.004 0.000 1.162 431 P CA 1.950 65.046 63.100 -0.007 0.000 0.874 431 P CB -0.009 31.687 31.700 -0.007 0.000 0.784 432 A N -1.106 121.710 122.820 -0.007 0.000 2.194 432 A HA -0.162 4.157 4.320 -0.000 0.000 0.220 432 A C 1.888 179.490 177.584 0.029 0.000 1.162 432 A CA 1.498 53.536 52.037 0.003 0.000 0.674 432 A CB -1.189 17.804 19.000 -0.013 0.000 0.789 432 A HN 0.106 nan 8.150 nan 0.000 0.470 433 M N -1.673 117.937 119.600 0.017 0.000 2.371 433 M HA 0.227 4.707 4.480 -0.000 0.000 0.246 433 M C 2.101 178.452 176.300 0.085 0.000 1.103 433 M CA 0.698 56.031 55.300 0.055 0.000 1.010 433 M CB -0.718 31.862 32.600 -0.033 0.000 1.457 433 M HN 0.446 nan 8.290 nan 0.000 0.486 434 A N 0.443 123.283 122.820 0.033 0.000 2.024 434 A HA -0.127 4.192 4.320 -0.000 0.000 0.220 434 A C 1.834 179.414 177.584 -0.008 0.000 1.164 434 A CA 1.392 53.436 52.037 0.011 0.000 0.643 434 A CB -0.307 18.691 19.000 -0.005 0.000 0.806 434 A HN 0.366 nan 8.150 nan 0.000 0.451 435 E N -2.377 117.798 120.200 -0.041 0.000 2.489 435 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 435 E C 0.948 177.350 176.600 -0.329 0.000 1.057 435 E CA 0.173 56.461 56.400 -0.188 0.000 0.866 435 E CB -0.063 29.481 29.700 -0.260 0.000 0.916 435 E HN 0.907 nan 8.360 nan 0.000 0.500 436 W N 0.324 121.617 121.300 -0.011 0.000 3.412 436 W HA 0.049 4.709 4.660 -0.000 0.000 0.236 436 W C 0.651 177.251 176.519 0.135 0.000 1.030 436 W CA 0.036 57.393 57.345 0.019 0.000 1.850 436 W CB 0.124 29.525 29.460 -0.098 0.000 0.979 436 W HN -0.295 nan 8.180 nan 0.000 0.716 437 T N 1.717 116.488 114.554 0.362 0.000 2.765 437 T HA 0.295 4.644 4.350 -0.000 0.000 0.284 437 T C 0.594 175.376 174.700 0.136 0.000 0.946 437 T CA 0.550 62.781 62.100 0.219 0.000 1.185 437 T CB 0.228 69.057 68.868 -0.065 0.000 0.887 437 T HN 0.167 nan 8.240 nan 0.000 0.532 438 G N 2.469 111.377 108.800 0.181 0.000 2.714 438 G HA2 0.350 4.310 3.960 -0.000 0.000 0.197 438 G HA3 0.350 4.310 3.960 -0.000 0.000 0.197 438 G C 0.075 175.082 174.900 0.178 0.000 1.449 438 G CA -0.719 44.467 45.100 0.144 0.000 1.065 438 G HN 0.614 nan 8.290 nan 0.000 0.575 439 R N 1.057 121.652 120.500 0.158 0.000 2.537 439 R HA 0.047 4.387 4.340 -0.000 0.000 0.280 439 R C -0.183 176.232 176.300 0.192 0.000 1.058 439 R CA 0.007 56.197 56.100 0.151 0.000 1.057 439 R CB 0.375 30.725 30.300 0.084 0.000 0.973 439 R HN 0.604 nan 8.270 nan 0.000 0.438 440 E N 4.909 125.201 120.200 0.153 0.000 2.104 440 E HA -0.004 4.346 4.350 -0.000 0.000 0.278 440 E C 0.827 177.346 176.600 -0.136 0.000 1.127 440 E CA -0.189 56.146 56.400 -0.108 0.000 0.897 440 E CB 0.432 30.042 29.700 -0.150 0.000 1.043 440 E HN 0.612 nan 8.360 nan 0.000 0.410 441 L N 3.075 124.195 121.223 -0.173 0.000 2.005 441 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 441 L C 1.197 178.023 176.870 -0.073 0.000 1.072 441 L CA 0.815 55.610 54.840 -0.075 0.000 0.744 441 L CB -0.469 41.558 42.059 -0.053 0.000 0.895 441 L HN 0.472 nan 8.230 nan 0.000 0.433 442 S N -2.355 113.200 115.700 -0.242 0.000 2.540 442 S HA 0.399 4.869 4.470 -0.000 0.000 0.275 442 S C -2.316 171.933 174.600 -0.586 0.000 1.123 442 S CA -1.271 56.682 58.200 -0.411 0.000 0.907 442 S CB 2.044 64.963 63.200 -0.468 0.000 1.081 442 S HN -0.167 nan 8.310 nan 0.000 0.476 443 P HA 0.184 nan 4.420 nan 0.000 0.230 443 P C 0.836 177.937 177.300 -0.331 0.000 1.158 443 P CA 1.294 63.775 63.100 -1.033 0.000 0.769 443 P CB -0.641 30.268 31.700 -1.319 0.000 0.807 444 G N -0.046 108.602 108.800 -0.254 0.000 2.907 444 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.686 444 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.686 444 G C 0.514 175.364 174.900 -0.084 0.000 1.115 444 G CA -0.474 44.567 45.100 -0.098 0.000 0.760 444 G HN 0.035 nan 8.290 nan 0.000 0.620 445 V N -0.675 119.214 119.914 -0.042 0.000 2.660 445 V HA -0.125 3.994 4.120 -0.000 0.000 0.257 445 V C 2.104 178.186 176.094 -0.019 0.000 1.088 445 V CA 2.696 64.984 62.300 -0.021 0.000 1.106 445 V CB -0.653 31.177 31.823 0.011 0.000 0.686 445 V HN 0.809 nan 8.190 nan 0.000 0.481 446 E N 1.391 121.582 120.200 -0.016 0.000 2.347 446 E HA 0.227 4.577 4.350 -0.000 0.000 0.196 446 E C 1.192 177.783 176.600 -0.016 0.000 1.008 446 E CA 0.640 57.035 56.400 -0.009 0.000 0.852 446 E CB -0.070 29.629 29.700 -0.002 0.000 0.783 446 E HN 0.739 nan 8.360 nan 0.000 0.505 447 A N 1.247 124.045 122.820 -0.037 0.000 2.279 447 A HA 0.163 4.483 4.320 -0.000 0.000 0.306 447 A C 0.554 178.106 177.584 -0.053 0.000 1.300 447 A CA -0.307 51.702 52.037 -0.047 0.000 0.925 447 A CB 0.540 19.489 19.000 -0.085 0.000 1.152 447 A HN -0.004 nan 8.150 nan 0.000 0.544 448 Q N 0.612 120.395 119.800 -0.028 0.000 2.427 448 Q HA 0.057 4.397 4.340 -0.000 0.000 0.249 448 Q C 0.960 176.954 176.000 -0.011 0.000 0.783 448 Q CA 1.208 56.999 55.803 -0.019 0.000 0.978 448 Q CB 0.108 28.840 28.738 -0.009 0.000 1.273 448 Q HN 0.903 nan 8.270 nan 0.000 0.524 449 T N -0.583 113.967 114.554 -0.007 0.000 2.788 449 T HA 0.144 4.494 4.350 -0.000 0.000 0.287 449 T C 0.732 175.430 174.700 -0.003 0.000 1.007 449 T CA -0.133 61.966 62.100 -0.002 0.000 1.005 449 T CB 0.898 69.767 68.868 0.001 0.000 1.012 449 T HN -0.181 nan 8.240 nan 0.000 0.530 450 D N -0.042 120.358 120.400 -0.000 0.000 2.084 450 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 450 D C 1.981 178.278 176.300 -0.005 0.000 0.990 450 D CA 1.709 55.708 54.000 -0.002 0.000 0.826 450 D CB -0.311 40.490 40.800 0.002 0.000 0.971 450 D HN 0.902 nan 8.370 nan 0.000 0.453 451 E N 0.894 121.093 120.200 -0.001 0.000 2.058 451 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 451 E C 1.656 178.259 176.600 0.004 0.000 0.997 451 E CA 1.200 57.600 56.400 -0.000 0.000 0.801 451 E CB -0.022 29.680 29.700 0.004 0.000 0.746 451 E HN 0.359 nan 8.360 nan 0.000 0.450 452 E N 0.507 120.712 120.200 0.007 0.000 2.110 452 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 452 E C 2.370 178.987 176.600 0.028 0.000 0.988 452 E CA 1.112 57.522 56.400 0.016 0.000 0.804 452 E CB -0.119 29.585 29.700 0.007 0.000 0.745 452 E HN 0.381 nan 8.360 nan 0.000 0.458 453 L N 0.659 121.887 121.223 0.009 0.000 2.156 453 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 453 L C 2.485 179.371 176.870 0.026 0.000 1.095 453 L CA 0.999 55.850 54.840 0.017 0.000 0.770 453 L CB -0.219 41.835 42.059 -0.008 0.000 0.914 453 L HN 0.143 nan 8.230 nan 0.000 0.439 454 Q N -0.216 119.576 119.800 -0.012 0.000 2.083 454 Q HA -0.241 4.099 4.340 -0.000 0.000 0.198 454 Q C 1.777 177.742 176.000 -0.059 0.000 0.969 454 Q CA 1.905 57.669 55.803 -0.064 0.000 0.838 454 Q CB -0.055 28.646 28.738 -0.061 0.000 0.900 454 Q HN 0.436 nan 8.270 nan 0.000 0.436 455 D N -0.443 119.952 120.400 -0.008 0.000 2.104 455 D HA -0.249 4.390 4.640 -0.000 0.000 0.194 455 D C 1.688 177.992 176.300 0.006 0.000 0.994 455 D CA 1.170 55.170 54.000 -0.000 0.000 0.830 455 D CB -0.147 40.667 40.800 0.023 0.000 0.959 455 D HN 0.321 nan 8.370 nan 0.000 0.452 456 Y N 0.439 120.693 120.300 -0.077 0.000 2.181 456 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 456 Y C 1.969 177.799 175.900 -0.116 0.000 1.146 456 Y CA 1.499 59.545 58.100 -0.090 0.000 1.164 456 Y CB -0.163 38.244 38.460 -0.089 0.000 0.982 456 Y HN 0.059 nan 8.280 nan 0.000 0.515 457 I N -0.059 120.449 120.570 -0.103 0.000 2.315 457 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 457 I C 2.669 178.671 176.117 -0.192 0.000 1.117 457 I CA 1.295 62.465 61.300 -0.216 0.000 1.404 457 I CB -0.376 37.454 38.000 -0.284 0.000 1.071 457 I HN 0.139 nan 8.210 nan 0.000 0.419 458 R N 0.630 121.032 120.500 -0.164 0.000 2.096 458 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 458 R C 2.211 178.523 176.300 0.021 0.000 1.127 458 R CA 1.396 57.470 56.100 -0.043 0.000 0.968 458 R CB -0.009 30.269 30.300 -0.036 0.000 0.861 458 R HN 0.276 nan 8.270 nan 0.000 0.440 459 K N -1.165 119.152 120.400 -0.139 0.000 2.186 459 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 459 K C 1.311 177.749 176.600 -0.271 0.000 1.052 459 K CA 1.570 57.699 56.287 -0.263 0.000 0.965 459 K CB 0.479 32.619 32.500 -0.601 0.000 0.746 459 K HN 0.259 nan 8.250 nan 0.000 0.457 460 T N -2.328 112.006 114.554 -0.367 0.000 3.111 460 T HA 0.074 4.423 4.350 -0.000 0.000 0.284 460 T C 0.137 174.651 174.700 -0.311 0.000 0.983 460 T CA -0.626 61.221 62.100 -0.420 0.000 0.900 460 T CB -0.390 67.985 68.868 -0.823 0.000 1.132 460 T HN 0.243 nan 8.240 nan 0.000 0.531 461 H N 1.037 119.985 119.070 -0.203 0.000 2.671 461 H HA 0.738 5.294 4.556 -0.000 0.000 0.372 461 H C 0.287 175.546 175.328 -0.115 0.000 1.227 461 H CA -0.240 55.740 56.048 -0.114 0.000 1.426 461 H CB 0.432 30.194 29.762 -0.001 0.000 1.480 461 H HN 0.144 nan 8.280 nan 0.000 0.611 462 N N -0.940 117.705 118.700 -0.093 0.000 3.470 462 N HA 0.407 5.147 4.740 -0.000 0.000 0.361 462 N C -1.191 174.175 175.510 -0.240 0.000 1.536 462 N CA -0.066 52.854 53.050 -0.217 0.000 0.642 462 N CB 1.916 40.362 38.487 -0.068 0.000 2.002 462 N HN 0.838 nan 8.380 nan 0.000 0.620 463 T N -1.387 112.903 114.554 -0.439 0.000 2.841 463 T HA 0.473 4.823 4.350 -0.000 0.000 0.296 463 T C -0.296 174.015 174.700 -0.648 0.000 1.166 463 T CA -0.540 61.270 62.100 -0.485 0.000 1.007 463 T CB 0.908 69.464 68.868 -0.520 0.000 1.253 463 T HN 0.025 nan 8.240 nan 0.000 0.511 464 V N 2.543 122.152 119.914 -0.508 0.000 3.647 464 V HA 0.243 4.363 4.120 -0.000 0.000 0.279 464 V C -0.163 175.585 176.094 -0.576 0.000 1.314 464 V CA -0.052 61.902 62.300 -0.576 0.000 1.125 464 V CB -1.763 29.733 31.823 -0.545 0.000 0.907 464 V HN 1.031 nan 8.190 nan 0.000 0.434 465 Y N -0.698 119.450 120.300 -0.253 0.000 3.994 465 Y HA -0.221 4.329 4.550 -0.000 0.000 0.236 465 Y C 0.559 176.636 175.900 0.295 0.000 1.272 465 Y CA 0.509 58.656 58.100 0.079 0.000 1.940 465 Y CB -2.845 35.691 38.460 0.127 0.000 1.599 465 Y HN 0.606 nan 8.280 nan 0.000 0.686 466 H N -0.517 118.727 119.070 0.290 0.000 2.429 466 H HA 0.266 4.822 4.556 -0.000 0.000 0.237 466 H C -2.451 172.950 175.328 0.121 0.000 1.378 466 H CA -2.197 53.992 56.048 0.236 0.000 1.170 466 H CB 0.563 30.502 29.762 0.294 0.000 1.671 466 H HN -0.003 nan 8.280 nan 0.000 0.541 467 P HA 0.029 nan 4.420 nan 0.000 0.276 467 P C -0.039 177.164 177.300 -0.162 0.000 1.243 467 P CA -0.072 62.998 63.100 -0.051 0.000 0.768 467 P CB 1.764 33.359 31.700 -0.175 0.000 0.856 468 V N -0.900 118.827 119.914 -0.311 0.000 3.181 468 V HA 0.897 5.017 4.120 -0.000 0.000 0.308 468 V C 0.679 176.584 176.094 -0.316 0.000 1.214 468 V CA -0.225 61.865 62.300 -0.349 0.000 1.053 468 V CB 1.177 32.673 31.823 -0.545 0.000 1.069 468 V HN 0.742 nan 8.190 nan 0.000 0.441 469 G N 1.157 109.784 108.800 -0.289 0.000 2.157 469 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 469 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 469 G C 0.730 175.513 174.900 -0.195 0.000 0.979 469 G CA 1.097 46.029 45.100 -0.281 0.000 0.650 469 G HN 2.174 nan 8.290 nan 0.000 0.529 470 T N -2.212 112.230 114.554 -0.188 0.000 3.113 470 T HA 0.342 4.692 4.350 -0.000 0.000 0.263 470 T C 0.909 175.523 174.700 -0.143 0.000 1.143 470 T CA 1.225 63.225 62.100 -0.167 0.000 1.090 470 T CB 0.532 69.289 68.868 -0.186 0.000 0.922 470 T HN 0.922 nan 8.240 nan 0.000 0.521 471 V N 2.322 122.149 119.914 -0.145 0.000 2.703 471 V HA 0.294 4.414 4.120 -0.000 0.000 0.290 471 V C 0.265 176.266 176.094 -0.156 0.000 1.035 471 V CA -1.357 60.868 62.300 -0.125 0.000 1.185 471 V CB -0.005 31.749 31.823 -0.116 0.000 1.178 471 V HN 0.546 nan 8.190 nan 0.000 0.562 472 R N 2.052 122.457 120.500 -0.159 0.000 2.784 472 R HA 0.547 4.887 4.340 -0.000 0.000 0.266 472 R C 0.181 176.327 176.300 -0.257 0.000 1.044 472 R CA -0.356 55.586 56.100 -0.263 0.000 1.151 472 R CB 0.748 30.875 30.300 -0.288 0.000 1.037 472 R HN 0.587 nan 8.270 nan 0.000 0.478 473 M N 0.418 119.802 119.600 -0.361 0.000 2.359 473 M HA 0.717 5.197 4.480 -0.000 0.000 0.322 473 M C -0.150 175.993 176.300 -0.260 0.000 1.166 473 M CA -0.116 54.999 55.300 -0.309 0.000 1.067 473 M CB 2.023 34.351 32.600 -0.452 0.000 1.523 473 M HN 0.853 nan 8.290 nan 0.000 0.467 474 G N 0.425 109.136 108.800 -0.148 0.000 2.341 474 G HA2 0.555 4.514 3.960 -0.000 0.000 0.299 474 G HA3 0.555 4.514 3.960 -0.000 0.000 0.299 474 G C -1.826 173.060 174.900 -0.023 0.000 1.274 474 G CA -0.535 44.516 45.100 -0.082 0.000 0.853 474 G HN 1.075 nan 8.290 nan 0.000 0.493 475 A N -0.287 122.534 122.820 0.000 0.000 2.511 475 A HA 0.500 4.819 4.320 -0.000 0.000 0.242 475 A C 1.829 179.419 177.584 0.011 0.000 1.069 475 A CA 0.543 52.590 52.037 0.017 0.000 0.763 475 A CB 0.481 19.493 19.000 0.019 0.000 1.001 475 A HN 1.529 nan 8.150 nan 0.000 0.498 476 V N 2.268 122.195 119.914 0.021 0.000 2.280 476 V HA -0.335 3.784 4.120 -0.000 0.000 0.258 476 V C 2.638 178.738 176.094 0.010 0.000 1.081 476 V CA 2.721 65.032 62.300 0.018 0.000 1.070 476 V CB -0.786 31.051 31.823 0.024 0.000 0.666 476 V HN 1.069 nan 8.190 nan 0.000 0.450 477 E N 0.305 120.510 120.200 0.009 0.000 2.385 477 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 477 E C 0.800 177.401 176.600 0.002 0.000 1.013 477 E CA 0.489 56.892 56.400 0.005 0.000 0.866 477 E CB -0.433 29.271 29.700 0.006 0.000 0.832 477 E HN 0.634 nan 8.360 nan 0.000 0.500 478 D N 2.951 123.351 120.400 0.000 0.000 2.368 478 D HA -0.086 4.554 4.640 -0.000 0.000 0.268 478 D C 1.074 177.370 176.300 -0.006 0.000 1.298 478 D CA 0.120 54.118 54.000 -0.004 0.000 0.938 478 D CB 0.720 41.514 40.800 -0.010 0.000 1.101 478 D HN 0.333 nan 8.370 nan 0.000 0.509 479 E N 3.247 123.446 120.200 -0.002 0.000 2.427 479 E HA -0.125 4.224 4.350 -0.000 0.000 0.196 479 E C 0.977 177.579 176.600 0.004 0.000 1.028 479 E CA 0.413 56.812 56.400 -0.002 0.000 0.864 479 E CB -0.016 29.681 29.700 -0.003 0.000 0.813 479 E HN 0.430 nan 8.360 nan 0.000 0.514 480 M N 1.125 120.737 119.600 0.019 0.000 2.494 480 M HA 0.181 4.661 4.480 -0.000 0.000 0.232 480 M C 0.011 176.356 176.300 0.075 0.000 1.137 480 M CA 0.240 55.579 55.300 0.065 0.000 1.012 480 M CB 0.414 33.085 32.600 0.118 0.000 1.567 480 M HN -0.101 nan 8.290 nan 0.000 0.486 481 S N 1.454 117.156 115.700 0.003 0.000 2.461 481 S HA 0.280 4.750 4.470 -0.000 0.000 0.322 481 S C -1.642 172.937 174.600 -0.035 0.000 1.063 481 S CA -1.062 57.116 58.200 -0.036 0.000 1.120 481 S CB 1.419 64.577 63.200 -0.069 0.000 0.968 481 S HN 0.079 nan 8.310 nan 0.000 0.467 482 P HA -0.033 nan 4.420 nan 0.000 0.219 482 P C -0.271 177.005 177.300 -0.041 0.000 1.146 482 P CA 1.035 64.111 63.100 -0.040 0.000 0.808 482 P CB 0.104 31.774 31.700 -0.050 0.000 0.779 483 L N -1.006 120.182 121.223 -0.059 0.000 2.322 483 L HA 0.427 4.766 4.340 -0.000 0.000 0.269 483 L C 0.460 177.307 176.870 -0.038 0.000 1.012 483 L CA -1.366 53.446 54.840 -0.047 0.000 0.815 483 L CB 0.885 42.906 42.059 -0.065 0.000 1.295 483 L HN -0.181 nan 8.230 nan 0.000 0.438 484 D N -0.238 120.160 120.400 -0.003 0.000 2.451 484 D HA 0.265 4.905 4.640 -0.000 0.000 0.259 484 D C -2.218 174.110 176.300 0.047 0.000 1.201 484 D CA -2.004 52.009 54.000 0.022 0.000 1.028 484 D CB 0.155 40.980 40.800 0.042 0.000 1.095 484 D HN 0.151 nan 8.370 nan 0.000 0.539 485 P HA -0.065 nan 4.420 nan 0.000 0.225 485 P C 0.221 177.755 177.300 0.389 0.000 1.148 485 P CA 1.047 64.281 63.100 0.224 0.000 0.779 485 P CB 0.014 31.851 31.700 0.229 0.000 0.780 486 E N -0.055 120.288 120.200 0.239 0.000 2.423 486 E HA 0.155 4.505 4.350 -0.000 0.000 0.198 486 E C 0.520 177.236 176.600 0.194 0.000 1.038 486 E CA -0.237 56.305 56.400 0.237 0.000 1.011 486 E CB -0.488 29.295 29.700 0.138 0.000 1.118 486 E HN 0.183 nan 8.360 nan 0.000 0.451 487 L N -0.373 120.949 121.223 0.165 0.000 4.988 487 L HA -0.294 4.045 4.340 -0.000 0.000 0.439 487 L C 0.337 177.240 176.870 0.055 0.000 1.080 487 L CA 0.932 55.822 54.840 0.083 0.000 1.018 487 L CB -1.545 40.592 42.059 0.131 0.000 1.945 487 L HN 0.260 nan 8.230 nan 0.000 0.782 488 R N 0.658 121.197 120.500 0.065 0.000 2.491 488 R HA 0.364 4.704 4.340 -0.000 0.000 0.283 488 R C 0.221 176.542 176.300 0.036 0.000 1.072 488 R CA -0.508 55.625 56.100 0.055 0.000 1.048 488 R CB 0.794 31.130 30.300 0.061 0.000 0.983 488 R HN -0.063 nan 8.270 nan 0.000 0.450 489 V N 4.201 124.138 119.914 0.039 0.000 2.485 489 V HA -0.030 4.090 4.120 -0.000 0.000 0.287 489 V C 0.586 176.695 176.094 0.025 0.000 1.022 489 V CA 0.196 62.513 62.300 0.028 0.000 1.067 489 V CB 0.058 31.911 31.823 0.050 0.000 0.967 489 V HN 0.621 nan 8.190 nan 0.000 0.479 490 K N 3.576 123.979 120.400 0.006 0.000 2.350 490 K HA 0.505 4.825 4.320 -0.000 0.000 0.279 490 K C 1.101 177.694 176.600 -0.010 0.000 1.027 490 K CA 0.643 56.931 56.287 0.002 0.000 0.969 490 K CB 0.752 33.248 32.500 -0.006 0.000 0.954 490 K HN 1.055 nan 8.250 nan 0.000 0.474 491 G N 0.448 109.243 108.800 -0.009 0.000 2.168 491 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.197 491 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.197 491 G C -0.403 174.475 174.900 -0.037 0.000 0.997 491 G CA -0.358 44.724 45.100 -0.030 0.000 0.658 491 G HN 0.484 nan 8.290 nan 0.000 0.513 492 V N 0.245 120.161 119.914 0.004 0.000 3.167 492 V HA 0.755 4.875 4.120 -0.000 0.000 0.293 492 V C 0.047 176.210 176.094 0.114 0.000 1.379 492 V CA 0.148 62.477 62.300 0.048 0.000 1.019 492 V CB 2.280 34.104 31.823 0.003 0.000 1.115 492 V HN 1.117 nan 8.190 nan 0.000 0.442 493 T N -0.297 114.352 114.554 0.158 0.000 2.940 493 T HA 0.699 5.049 4.350 -0.000 0.000 0.288 493 T C 0.888 175.658 174.700 0.116 0.000 1.045 493 T CA 0.188 62.358 62.100 0.116 0.000 1.018 493 T CB 1.651 70.566 68.868 0.078 0.000 1.151 493 T HN 2.426 nan 8.240 nan 0.000 0.529 494 G N -0.117 108.727 108.800 0.074 0.000 2.166 494 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.260 494 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.260 494 G C -0.315 174.611 174.900 0.044 0.000 0.986 494 G CA 0.455 45.581 45.100 0.044 0.000 0.683 494 G HN 1.074 nan 8.290 nan 0.000 0.527 495 L N 0.055 121.324 121.223 0.077 0.000 2.362 495 L HA 0.891 5.231 4.340 -0.000 0.000 0.275 495 L C 0.039 176.952 176.870 0.073 0.000 0.998 495 L CA -1.069 53.816 54.840 0.075 0.000 0.820 495 L CB 1.384 43.516 42.059 0.123 0.000 1.270 495 L HN 0.233 nan 8.230 nan 0.000 0.415 496 R N 3.031 123.566 120.500 0.059 0.000 2.837 496 R HA 0.862 5.202 4.340 -0.000 0.000 0.271 496 R C -1.642 174.676 176.300 0.030 0.000 0.993 496 R CA -1.038 55.092 56.100 0.050 0.000 0.931 496 R CB 2.534 32.871 30.300 0.061 0.000 1.206 496 R HN 0.400 nan 8.270 nan 0.000 0.474 497 V N 0.571 120.493 119.914 0.014 0.000 2.735 497 V HA 0.796 4.916 4.120 -0.000 0.000 0.310 497 V C -0.945 175.142 176.094 -0.011 0.000 1.061 497 V CA -0.689 61.605 62.300 -0.010 0.000 0.913 497 V CB 1.885 33.685 31.823 -0.037 0.000 1.005 497 V HN 0.931 nan 8.190 nan 0.000 0.428 498 A N 3.729 126.540 122.820 -0.016 0.000 2.667 498 A HA 0.795 5.114 4.320 -0.000 0.000 0.291 498 A C -1.084 176.488 177.584 -0.019 0.000 1.123 498 A CA -0.403 51.632 52.037 -0.002 0.000 0.832 498 A CB 0.700 19.710 19.000 0.017 0.000 1.396 498 A HN 1.014 nan 8.150 nan 0.000 0.401 499 D N 0.194 120.572 120.400 -0.036 0.000 2.893 499 D HA 0.395 5.035 4.640 -0.000 0.000 0.346 499 D C 0.651 176.915 176.300 -0.060 0.000 1.402 499 D CA 0.133 54.112 54.000 -0.036 0.000 0.815 499 D CB 0.460 41.235 40.800 -0.042 0.000 1.403 499 D HN 0.711 nan 8.370 nan 0.000 0.484 500 A N -0.280 122.507 122.820 -0.055 0.000 2.225 500 A HA 0.021 4.340 4.320 -0.000 0.000 0.215 500 A C 1.714 179.202 177.584 -0.160 0.000 1.164 500 A CA 1.717 53.705 52.037 -0.082 0.000 0.710 500 A CB -0.959 18.009 19.000 -0.055 0.000 0.780 500 A HN 0.430 nan 8.150 nan 0.000 0.473 501 S N -0.293 115.314 115.700 -0.154 0.000 2.419 501 S HA -0.136 4.333 4.470 -0.000 0.000 0.233 501 S C 1.824 176.283 174.600 -0.235 0.000 1.016 501 S CA 1.450 59.540 58.200 -0.182 0.000 0.974 501 S CB -0.549 62.563 63.200 -0.147 0.000 0.786 501 S HN 0.980 nan 8.310 nan 0.000 0.492 502 V N -0.721 119.037 119.914 -0.260 0.000 3.306 502 V HA 0.217 4.337 4.120 -0.000 0.000 0.264 502 V C 0.576 176.320 176.094 -0.583 0.000 1.149 502 V CA 0.285 62.365 62.300 -0.366 0.000 1.143 502 V CB -0.969 30.642 31.823 -0.352 0.000 0.767 502 V HN 0.365 nan 8.190 nan 0.000 0.476 503 M N 1.791 121.036 119.600 -0.591 0.000 2.246 503 M HA 0.239 4.719 4.480 -0.000 0.000 0.350 503 M C -1.532 174.256 176.300 -0.852 0.000 1.406 503 M CA -0.979 53.764 55.300 -0.928 0.000 1.089 503 M CB 0.858 33.123 32.600 -0.559 0.000 1.782 503 M HN 0.048 nan 8.290 nan 0.000 0.457 504 P HA 0.034 nan 4.420 nan 0.000 0.235 504 P C -0.404 176.376 177.300 -0.868 0.000 1.177 504 P CA 0.936 63.505 63.100 -0.885 0.000 0.785 504 P CB 0.355 31.519 31.700 -0.894 0.000 0.885 505 E N -1.277 118.483 120.200 -0.734 0.000 2.304 505 E HA 0.236 4.586 4.350 -0.000 0.000 0.277 505 E C -0.929 175.704 176.600 0.055 0.000 0.898 505 E CA -0.821 55.403 56.400 -0.293 0.000 0.764 505 E CB 0.431 30.037 29.700 -0.156 0.000 1.216 505 E HN -0.104 nan 8.360 nan 0.000 0.419 506 H N 1.950 121.013 119.070 -0.012 0.000 2.913 506 H HA 0.191 4.747 4.556 -0.000 0.000 0.365 506 H C -0.077 175.354 175.328 0.173 0.000 1.155 506 H CA 0.706 56.772 56.048 0.029 0.000 1.417 506 H CB 0.572 30.280 29.762 -0.090 0.000 1.386 506 H HN 0.370 nan 8.280 nan 0.000 0.614 507 V N 1.258 121.503 119.914 0.551 0.000 2.743 507 V HA 0.201 4.321 4.120 -0.000 0.000 0.301 507 V C 1.267 177.369 176.094 0.014 0.000 1.057 507 V CA -0.344 62.139 62.300 0.304 0.000 1.006 507 V CB 1.178 33.195 31.823 0.323 0.000 1.024 507 V HN 0.839 nan 8.190 nan 0.000 0.473 508 T N 2.141 116.694 114.554 -0.001 0.000 2.803 508 T HA -0.048 4.302 4.350 -0.000 0.000 0.269 508 T C 0.782 175.383 174.700 -0.165 0.000 1.052 508 T CA 1.841 63.895 62.100 -0.076 0.000 1.136 508 T CB -0.429 68.494 68.868 0.091 0.000 0.864 508 T HN 0.974 nan 8.240 nan 0.000 0.467 509 V N -0.573 119.273 119.914 -0.113 0.000 3.193 509 V HA 0.434 4.554 4.120 -0.000 0.000 0.320 509 V C -0.094 176.009 176.094 0.016 0.000 1.112 509 V CA -1.854 60.334 62.300 -0.187 0.000 1.026 509 V CB 0.873 32.422 31.823 -0.457 0.000 1.128 509 V HN 0.149 nan 8.190 nan 0.000 0.452 510 N N 2.758 121.517 118.700 0.098 0.000 2.357 510 N HA 0.084 4.823 4.740 -0.000 0.000 0.257 510 N C -1.946 173.564 175.510 -0.001 0.000 1.250 510 N CA -0.240 52.816 53.050 0.011 0.000 0.862 510 N CB 0.751 39.321 38.487 0.139 0.000 1.066 510 N HN 0.640 nan 8.380 nan 0.000 0.468 511 P HA 0.021 nan 4.420 nan 0.000 0.267 511 P C 0.700 178.043 177.300 0.071 0.000 1.289 511 P CA 0.263 63.395 63.100 0.053 0.000 0.866 511 P CB 0.258 32.025 31.700 0.112 0.000 1.309 512 N N 0.864 119.580 118.700 0.027 0.000 2.025 512 N HA -0.128 4.611 4.740 -0.000 0.000 0.194 512 N C 1.581 177.146 175.510 0.093 0.000 1.044 512 N CA 1.245 54.326 53.050 0.052 0.000 0.851 512 N CB -0.122 38.379 38.487 0.024 0.000 1.036 512 N HN -0.147 nan 8.380 nan 0.000 0.422 513 I N 1.445 122.081 120.570 0.111 0.000 2.194 513 I HA -0.217 3.952 4.170 -0.000 0.000 0.246 513 I C 2.232 178.484 176.117 0.224 0.000 1.093 513 I CA 1.328 62.719 61.300 0.153 0.000 1.355 513 I CB -1.827 36.258 38.000 0.140 0.000 1.046 513 I HN 0.244 nan 8.210 nan 0.000 0.413 514 T N 1.052 115.761 114.554 0.259 0.000 2.788 514 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 514 T C 2.162 176.957 174.700 0.158 0.000 1.044 514 T CA 1.188 63.445 62.100 0.262 0.000 1.139 514 T CB -0.341 68.694 68.868 0.279 0.000 0.867 514 T HN 0.154 nan 8.240 nan 0.000 0.454 515 V N 1.295 121.292 119.914 0.139 0.000 2.453 515 V HA -0.095 4.025 4.120 -0.000 0.000 0.247 515 V C 2.438 178.570 176.094 0.063 0.000 1.048 515 V CA 1.350 63.710 62.300 0.101 0.000 1.049 515 V CB -0.622 31.247 31.823 0.076 0.000 0.672 515 V HN 0.476 nan 8.190 nan 0.000 0.457 516 M N -0.882 118.757 119.600 0.065 0.000 2.108 516 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 516 M C 2.340 178.639 176.300 -0.002 0.000 1.066 516 M CA 1.985 57.310 55.300 0.041 0.000 1.107 516 M CB -0.496 32.176 32.600 0.119 0.000 1.356 516 M HN 0.329 nan 8.290 nan 0.000 0.406 517 M N 0.910 120.491 119.600 -0.031 0.000 2.080 517 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 517 M C 2.037 178.310 176.300 -0.045 0.000 1.068 517 M CA 2.009 57.212 55.300 -0.162 0.000 1.109 517 M CB -0.605 31.700 32.600 -0.493 0.000 1.342 517 M HN 0.265 nan 8.290 nan 0.000 0.405 518 I N 0.260 120.877 120.570 0.077 0.000 2.194 518 I HA -0.271 3.899 4.170 -0.000 0.000 0.246 518 I C 2.552 178.743 176.117 0.124 0.000 1.093 518 I CA 1.485 62.917 61.300 0.220 0.000 1.355 518 I CB -1.043 37.084 38.000 0.211 0.000 1.046 518 I HN 0.458 nan 8.210 nan 0.000 0.413 519 G N 0.201 109.013 108.800 0.020 0.000 2.480 519 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 519 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 519 G C 1.503 176.354 174.900 -0.081 0.000 1.200 519 G CA 0.569 45.636 45.100 -0.055 0.000 0.782 519 G HN 0.306 nan 8.290 nan 0.000 0.554 520 E N 0.332 120.474 120.200 -0.096 0.000 2.086 520 E HA -0.216 4.134 4.350 -0.000 0.000 0.200 520 E C 2.522 179.069 176.600 -0.089 0.000 1.012 520 E CA 1.338 57.680 56.400 -0.096 0.000 0.812 520 E CB -0.229 29.422 29.700 -0.083 0.000 0.743 520 E HN 0.359 nan 8.360 nan 0.000 0.453 521 R N 0.793 121.244 120.500 -0.081 0.000 2.073 521 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 521 R C 2.557 178.821 176.300 -0.060 0.000 1.134 521 R CA 1.704 57.732 56.100 -0.120 0.000 0.952 521 R CB -1.056 29.126 30.300 -0.196 0.000 0.850 521 R HN 0.285 nan 8.270 nan 0.000 0.433 522 C N -0.019 119.292 119.300 0.018 0.000 2.429 522 C HA 0.070 4.529 4.460 -0.000 0.000 0.277 522 C C 2.751 177.725 174.990 -0.028 0.000 1.262 522 C CA 0.921 59.962 59.018 0.039 0.000 1.733 522 C CB -1.306 26.468 27.740 0.055 0.000 2.010 522 C HN 0.656 nan 8.230 nan 0.000 0.483 523 A N 0.169 122.949 122.820 -0.068 0.000 1.948 523 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 523 A C 1.917 179.448 177.584 -0.089 0.000 1.177 523 A CA 2.407 54.382 52.037 -0.104 0.000 0.636 523 A CB -0.695 18.236 19.000 -0.115 0.000 0.815 523 A HN 0.676 nan 8.150 nan 0.000 0.449 524 D N -0.327 120.027 120.400 -0.077 0.000 2.162 524 D HA -0.023 4.616 4.640 -0.000 0.000 0.203 524 D C 1.971 178.236 176.300 -0.059 0.000 0.967 524 D CA 0.827 54.783 54.000 -0.073 0.000 0.840 524 D CB -0.241 40.505 40.800 -0.090 0.000 0.972 524 D HN 0.450 nan 8.370 nan 0.000 0.482 525 L N 0.449 121.642 121.223 -0.051 0.000 2.083 525 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 525 L C 2.446 179.315 176.870 -0.002 0.000 1.083 525 L CA 0.729 55.557 54.840 -0.020 0.000 0.752 525 L CB -0.257 41.810 42.059 0.013 0.000 0.899 525 L HN 0.015 nan 8.230 nan 0.000 0.433 526 I N -0.745 119.816 120.570 -0.015 0.000 2.133 526 I HA -0.266 3.904 4.170 -0.000 0.000 0.238 526 I C 2.774 178.889 176.117 -0.003 0.000 1.074 526 I CA 1.082 62.380 61.300 -0.004 0.000 1.342 526 I CB -0.403 37.552 38.000 -0.075 0.000 1.053 526 I HN 0.199 nan 8.210 nan 0.000 0.404 527 R N 0.714 121.186 120.500 -0.046 0.000 2.261 527 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 527 R C 2.061 178.359 176.300 -0.004 0.000 1.141 527 R CA 1.614 57.697 56.100 -0.028 0.000 1.001 527 R CB -0.066 30.204 30.300 -0.050 0.000 0.866 527 R HN 0.323 nan 8.270 nan 0.000 0.468 528 S N -0.103 115.594 115.700 -0.005 0.000 2.387 528 S HA 0.049 4.519 4.470 -0.000 0.000 0.221 528 S C 1.913 176.523 174.600 0.016 0.000 1.041 528 S CA 0.677 58.877 58.200 0.000 0.000 0.959 528 S CB 0.087 63.281 63.200 -0.011 0.000 0.843 528 S HN 0.516 nan 8.310 nan 0.000 0.488 529 A N 1.196 124.033 122.820 0.027 0.000 1.883 529 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 529 A C 0.991 178.604 177.584 0.049 0.000 1.186 529 A CA 1.144 53.205 52.037 0.041 0.000 0.624 529 A CB -0.131 18.902 19.000 0.054 0.000 0.822 529 A HN 0.351 nan 8.150 nan 0.000 0.444 530 R N 0.000 120.539 120.500 0.066 0.000 2.786 530 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 530 R CA 0.000 56.146 56.100 0.077 0.000 0.921 530 R CB 0.000 30.333 30.300 0.056 0.000 0.687 530 R HN 0.000 nan 8.270 nan 0.000 0.535