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_B 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 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.315 55.300 0.026 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 H N 4.010 123.052 119.070 -0.046 0.000 2.723 2 H HA 0.464 5.021 4.556 0.001 0.000 0.294 2 H C -1.331 173.971 175.328 -0.044 0.000 1.079 2 H CA -0.572 55.444 56.048 -0.053 0.000 1.411 2 H CB 0.851 30.597 29.762 -0.027 0.000 1.439 2 H HN 0.595 nan 8.280 nan 0.000 0.474 3 I N 6.486 126.905 120.570 -0.251 0.000 2.312 3 I HA -0.040 4.131 4.170 0.001 0.000 0.290 3 I C 1.048 176.898 176.117 -0.444 0.000 1.008 3 I CA -0.375 60.746 61.300 -0.299 0.000 1.226 3 I CB 1.261 39.185 38.000 -0.127 0.000 1.371 3 I HN 0.806 nan 8.210 nan 0.000 0.468 4 D N 4.631 124.749 120.400 -0.470 0.000 2.301 4 D HA -0.056 4.585 4.640 0.001 0.000 0.206 4 D C 0.356 176.579 176.300 -0.128 0.000 0.979 4 D CA 0.450 54.276 54.000 -0.289 0.000 0.874 4 D CB 0.448 41.108 40.800 -0.233 0.000 0.968 4 D HN 0.334 nan 8.370 nan 0.000 0.510 5 N N 0.533 119.158 118.700 -0.124 0.000 2.443 5 N HA 0.121 4.862 4.740 0.001 0.000 0.269 5 N C 0.609 176.061 175.510 -0.096 0.000 0.985 5 N CA -0.508 52.492 53.050 -0.084 0.000 0.921 5 N CB 1.831 40.276 38.487 -0.069 0.000 1.195 5 N HN -0.055 nan 8.380 nan 0.000 0.492 6 I N 3.910 124.419 120.570 -0.102 0.000 2.423 6 I HA -0.175 3.995 4.170 0.001 0.000 0.254 6 I C 1.375 177.387 176.117 -0.175 0.000 1.151 6 I CA 1.846 63.058 61.300 -0.147 0.000 1.421 6 I CB 0.123 37.999 38.000 -0.208 0.000 1.079 6 I HN 0.615 nan 8.210 nan 0.000 0.431 7 E N 0.254 120.357 120.200 -0.162 0.000 2.358 7 E HA -0.017 4.333 4.350 0.001 0.000 0.195 7 E C 0.778 177.323 176.600 -0.093 0.000 1.010 7 E CA 0.401 56.718 56.400 -0.139 0.000 0.856 7 E CB -0.120 29.508 29.700 -0.120 0.000 0.795 7 E HN 0.528 nan 8.360 nan 0.000 0.504 8 N N 0.975 119.626 118.700 -0.082 0.000 2.410 8 N HA 0.064 4.805 4.740 0.001 0.000 0.231 8 N C -0.653 174.821 175.510 -0.060 0.000 1.172 8 N CA 0.199 53.210 53.050 -0.065 0.000 0.849 8 N CB 0.448 38.897 38.487 -0.062 0.000 1.116 8 N HN 0.082 nan 8.380 nan 0.000 0.485 9 L N -0.404 120.782 121.223 -0.063 0.000 2.446 9 L HA 0.327 4.668 4.340 0.001 0.000 0.268 9 L C 0.620 177.459 176.870 -0.052 0.000 0.975 9 L CA -0.198 54.615 54.840 -0.045 0.000 0.848 9 L CB 1.708 43.754 42.059 -0.022 0.000 1.225 9 L HN -0.183 nan 8.230 nan 0.000 0.410 10 S N 1.576 117.244 115.700 -0.054 0.000 2.371 10 S HA 0.086 4.557 4.470 0.001 0.000 0.219 10 S C 0.247 174.800 174.600 -0.080 0.000 1.040 10 S CA 0.401 58.565 58.200 -0.061 0.000 0.958 10 S CB -0.075 63.092 63.200 -0.055 0.000 0.860 10 S HN 0.738 nan 8.310 nan 0.000 0.487 11 D N 1.128 121.460 120.400 -0.113 0.000 2.343 11 D HA 0.250 4.890 4.640 0.001 0.000 0.255 11 D C 0.388 176.542 176.300 -0.244 0.000 1.187 11 D CA 0.158 54.044 54.000 -0.190 0.000 0.875 11 D CB 0.678 41.331 40.800 -0.245 0.000 1.136 11 D HN 0.047 nan 8.370 nan 0.000 0.469 12 R N 1.804 122.189 120.500 -0.191 0.000 2.437 12 R HA 0.147 4.487 4.340 0.001 0.000 0.257 12 R C 0.199 176.436 176.300 -0.105 0.000 0.927 12 R CA -0.185 55.869 56.100 -0.076 0.000 1.078 12 R CB 0.734 31.041 30.300 0.012 0.000 1.161 12 R HN 0.413 nan 8.270 nan 0.000 0.529 13 E N 0.118 120.131 120.200 -0.311 0.000 2.216 13 E HA 0.319 4.670 4.350 0.001 0.000 0.279 13 E C -1.157 175.143 176.600 -0.499 0.000 0.997 13 E CA -0.330 55.935 56.400 -0.226 0.000 0.817 13 E CB 0.863 30.461 29.700 -0.169 0.000 1.096 13 E HN -0.123 nan 8.360 nan 0.000 0.393 14 F N 1.140 121.066 119.950 -0.040 0.000 2.599 14 F HA 0.186 4.714 4.527 0.001 0.000 0.311 14 F C 1.023 176.770 175.800 -0.088 0.000 1.076 14 F CA -0.803 57.176 58.000 -0.034 0.000 0.937 14 F CB 1.605 40.605 39.000 -0.000 0.000 1.282 14 F HN 0.417 nan 8.300 nan 0.000 0.460 15 D N 0.496 120.941 120.400 0.075 0.000 2.084 15 D HA -0.164 4.477 4.640 0.001 0.000 0.194 15 D C -0.323 175.708 176.300 -0.449 0.000 0.990 15 D CA 2.083 55.956 54.000 -0.212 0.000 0.826 15 D CB 0.013 40.681 40.800 -0.220 0.000 0.971 15 D HN 0.320 nan 8.370 nan 0.000 0.453 16 Y N -0.561 119.823 120.300 0.139 0.000 2.409 16 Y HA 0.471 5.022 4.550 0.001 0.000 0.343 16 Y C 0.058 175.980 175.900 0.037 0.000 0.973 16 Y CA -0.779 57.368 58.100 0.078 0.000 1.064 16 Y CB 1.955 40.450 38.460 0.059 0.000 1.207 16 Y HN -0.291 nan 8.280 nan 0.000 0.452 17 I N 3.788 124.447 120.570 0.149 0.000 2.378 17 I HA 0.458 4.629 4.170 0.001 0.000 0.291 17 I C -1.046 175.096 176.117 0.042 0.000 0.992 17 I CA -0.976 60.340 61.300 0.026 0.000 1.154 17 I CB 1.552 39.542 38.000 -0.018 0.000 1.315 17 I HN 0.244 nan 8.210 nan 0.000 0.448 18 V N 7.163 127.084 119.914 0.012 0.000 2.409 18 V HA 0.331 4.451 4.120 0.001 0.000 0.291 18 V C -0.132 175.960 176.094 -0.002 0.000 1.020 18 V CA -0.703 61.606 62.300 0.014 0.000 0.848 18 V CB 1.995 33.831 31.823 0.022 0.000 0.990 18 V HN 0.377 nan 8.190 nan 0.000 0.430 19 V N 4.267 124.179 119.914 -0.003 0.000 2.333 19 V HA 0.842 4.963 4.120 0.001 0.000 0.274 19 V C 0.594 176.695 176.094 0.013 0.000 1.028 19 V CA 0.355 62.655 62.300 -0.000 0.000 0.851 19 V CB 0.812 32.629 31.823 -0.011 0.000 1.000 19 V HN 1.264 nan 8.190 nan 0.000 0.456 20 G N 3.635 112.457 108.800 0.036 0.000 3.445 20 G HA2 0.066 4.027 3.960 0.001 0.000 0.686 20 G HA3 0.066 4.027 3.960 0.001 0.000 0.686 20 G C 0.184 175.112 174.900 0.047 0.000 1.113 20 G CA -0.514 44.619 45.100 0.056 0.000 0.974 20 G HN 1.250 nan 8.290 nan 0.000 0.492 21 G N 0.975 109.816 108.800 0.068 0.000 3.709 21 G HA2 0.629 4.590 3.960 0.001 0.000 0.272 21 G HA3 0.629 4.590 3.960 0.001 0.000 0.272 21 G C 0.956 175.878 174.900 0.038 0.000 1.259 21 G CA 0.919 46.052 45.100 0.055 0.000 1.512 21 G HN 1.220 nan 8.290 nan 0.000 0.625 22 G N 0.199 109.011 108.800 0.021 0.000 2.773 22 G HA2 0.343 4.304 3.960 0.001 0.000 0.186 22 G HA3 0.343 4.304 3.960 0.001 0.000 0.186 22 G C 1.351 176.238 174.900 -0.021 0.000 1.411 22 G CA 0.476 45.583 45.100 0.011 0.000 1.054 22 G HN 0.207 nan 8.290 nan 0.000 0.579 23 S N 0.125 115.816 115.700 -0.016 0.000 2.359 23 S HA -0.186 4.285 4.470 0.001 0.000 0.223 23 S C 2.597 177.151 174.600 -0.077 0.000 1.039 23 S CA 1.935 60.121 58.200 -0.023 0.000 1.042 23 S CB -0.520 62.682 63.200 0.003 0.000 0.915 23 S HN 0.768 nan 8.310 nan 0.000 0.439 24 A N 0.979 123.758 122.820 -0.069 0.000 1.943 24 A HA 0.335 4.656 4.320 0.001 0.000 0.213 24 A C 2.300 179.801 177.584 -0.137 0.000 1.181 24 A CA 1.222 53.201 52.037 -0.096 0.000 0.653 24 A CB -1.143 17.828 19.000 -0.049 0.000 0.833 24 A HN 0.507 nan 8.150 nan 0.000 0.451 25 G N -0.251 108.491 108.800 -0.096 0.000 2.394 25 G HA2 0.080 4.040 3.960 0.001 0.000 0.215 25 G HA3 0.080 4.040 3.960 0.001 0.000 0.215 25 G C 1.724 176.557 174.900 -0.113 0.000 1.165 25 G CA 1.291 46.343 45.100 -0.080 0.000 0.784 25 G HN 0.694 nan 8.290 nan 0.000 0.535 26 A N 1.410 124.150 122.820 -0.134 0.000 1.865 26 A HA 0.179 4.500 4.320 0.001 0.000 0.217 26 A C 2.844 180.201 177.584 -0.378 0.000 1.191 26 A CA 2.533 54.474 52.037 -0.161 0.000 0.623 26 A CB -0.977 17.959 19.000 -0.106 0.000 0.826 26 A HN 0.806 nan 8.150 nan 0.000 0.444 27 A N -0.734 121.693 122.820 -0.655 0.000 1.877 27 A HA -0.026 4.295 4.320 0.001 0.000 0.216 27 A C 2.272 179.583 177.584 -0.456 0.000 1.186 27 A CA 1.888 53.306 52.037 -1.032 0.000 0.620 27 A CB -1.114 17.330 19.000 -0.927 0.000 0.822 27 A HN 0.418 nan 8.150 nan 0.000 0.443 28 V N -0.200 119.544 119.914 -0.283 0.000 2.255 28 V HA -0.299 3.822 4.120 0.001 0.000 0.247 28 V C 3.081 179.076 176.094 -0.165 0.000 1.051 28 V CA 2.265 64.458 62.300 -0.178 0.000 1.018 28 V CB -1.186 30.564 31.823 -0.121 0.000 0.641 28 V HN 0.643 nan 8.190 nan 0.000 0.445 29 A N -0.421 122.313 122.820 -0.143 0.000 1.898 29 A HA -0.057 4.264 4.320 0.001 0.000 0.216 29 A C 2.380 179.838 177.584 -0.210 0.000 1.181 29 A CA 1.915 53.889 52.037 -0.104 0.000 0.620 29 A CB -0.769 18.239 19.000 0.014 0.000 0.819 29 A HN 0.598 nan 8.150 nan 0.000 0.442 30 A N -0.677 121.992 122.820 -0.252 0.000 1.972 30 A HA -0.124 4.197 4.320 0.001 0.000 0.219 30 A C 2.204 179.706 177.584 -0.137 0.000 1.169 30 A CA 1.377 53.263 52.037 -0.252 0.000 0.635 30 A CB -0.323 18.638 19.000 -0.065 0.000 0.810 30 A HN 0.399 nan 8.150 nan 0.000 0.446 31 R N -0.778 119.660 120.500 -0.103 0.000 2.140 31 R HA 0.200 4.541 4.340 0.001 0.000 0.213 31 R C 1.968 178.216 176.300 -0.087 0.000 1.059 31 R CA 0.570 56.630 56.100 -0.065 0.000 1.000 31 R CB -0.804 29.466 30.300 -0.049 0.000 0.910 31 R HN 0.539 nan 8.270 nan 0.000 0.455 32 L N 1.438 122.584 121.223 -0.127 0.000 2.083 32 L HA -0.119 4.222 4.340 0.001 0.000 0.209 32 L C 2.000 178.841 176.870 -0.048 0.000 1.083 32 L CA 1.575 56.324 54.840 -0.151 0.000 0.752 32 L CB -0.418 41.468 42.059 -0.289 0.000 0.899 32 L HN 0.172 nan 8.230 nan 0.000 0.433 33 S N -1.532 114.148 115.700 -0.034 0.000 2.786 33 S HA -0.016 4.454 4.470 0.001 0.000 0.223 33 S C 1.273 175.876 174.600 0.005 0.000 0.956 33 S CA 0.086 58.298 58.200 0.020 0.000 0.961 33 S CB -0.231 62.964 63.200 -0.008 0.000 0.784 33 S HN 0.440 nan 8.310 nan 0.000 0.519 34 E N 0.960 121.155 120.200 -0.009 0.000 2.318 34 E HA 0.011 4.361 4.350 0.001 0.000 0.193 34 E C -0.030 176.581 176.600 0.018 0.000 0.998 34 E CA 0.182 56.581 56.400 -0.001 0.000 0.859 34 E CB 0.080 29.775 29.700 -0.010 0.000 0.812 34 E HN 0.522 nan 8.360 nan 0.000 0.492 35 D N 1.382 121.798 120.400 0.028 0.000 2.336 35 D HA 0.008 4.648 4.640 0.001 0.000 0.249 35 D C -1.751 174.587 176.300 0.063 0.000 1.213 35 D CA -2.241 51.785 54.000 0.043 0.000 0.870 35 D CB 1.242 42.072 40.800 0.051 0.000 1.076 35 D HN -0.078 nan 8.370 nan 0.000 0.483 36 P HA 0.066 nan 4.420 nan 0.000 0.245 36 P C 0.487 177.829 177.300 0.070 0.000 1.212 36 P CA 0.145 63.284 63.100 0.066 0.000 0.774 36 P CB 0.242 31.974 31.700 0.053 0.000 0.999 37 A N -0.060 122.801 122.820 0.069 0.000 2.278 37 A HA 0.316 4.636 4.320 0.001 0.000 0.212 37 A C 0.869 178.503 177.584 0.082 0.000 1.213 37 A CA 0.135 52.210 52.037 0.065 0.000 0.840 37 A CB -0.454 18.578 19.000 0.053 0.000 0.866 37 A HN 0.182 nan 8.150 nan 0.000 0.489 38 V N -2.637 117.348 119.914 0.117 0.000 3.007 38 V HA 0.802 4.923 4.120 0.001 0.000 0.311 38 V C -0.328 175.880 176.094 0.189 0.000 1.120 38 V CA -0.346 62.047 62.300 0.155 0.000 0.980 38 V CB 1.468 33.445 31.823 0.257 0.000 1.033 38 V HN 0.431 nan 8.190 nan 0.000 0.429 39 S N 1.800 117.623 115.700 0.204 0.000 2.565 39 S HA 0.891 5.362 4.470 0.001 0.000 0.290 39 S C -0.677 174.154 174.600 0.384 0.000 1.150 39 S CA -0.674 57.698 58.200 0.287 0.000 1.058 39 S CB 1.684 65.044 63.200 0.267 0.000 1.032 39 S HN 1.269 nan 8.310 nan 0.000 0.510 40 V N 1.516 121.674 119.914 0.406 0.000 2.577 40 V HA 0.762 4.882 4.120 0.001 0.000 0.303 40 V C -0.148 176.015 176.094 0.115 0.000 1.042 40 V CA -0.598 61.904 62.300 0.336 0.000 0.872 40 V CB 1.614 33.658 31.823 0.369 0.000 0.998 40 V HN 1.243 nan 8.190 nan 0.000 0.423 41 A N 4.989 127.628 122.820 -0.301 0.000 2.288 41 A HA 0.820 5.140 4.320 0.001 0.000 0.320 41 A C -1.002 176.448 177.584 -0.223 0.000 1.217 41 A CA -0.464 51.172 52.037 -0.668 0.000 0.840 41 A CB 0.997 19.085 19.000 -1.521 0.000 1.179 41 A HN 0.826 nan 8.150 nan 0.000 0.504 42 L N 4.221 125.384 121.223 -0.100 0.000 2.257 42 L HA 0.601 4.942 4.340 0.001 0.000 0.290 42 L C -0.808 176.032 176.870 -0.050 0.000 1.044 42 L CA -0.048 54.811 54.840 0.033 0.000 0.810 42 L CB 1.287 43.505 42.059 0.266 0.000 1.193 42 L HN 0.371 nan 8.230 nan 0.000 0.425 43 V N 4.817 124.712 119.914 -0.031 0.000 2.357 43 V HA 0.577 4.697 4.120 0.001 0.000 0.284 43 V C -0.237 175.880 176.094 0.039 0.000 1.018 43 V CA -0.584 61.706 62.300 -0.016 0.000 0.841 43 V CB 1.273 33.077 31.823 -0.032 0.000 0.991 43 V HN 0.819 nan 8.190 nan 0.000 0.437 44 E N 3.876 124.116 120.200 0.066 0.000 2.277 44 E HA 0.780 5.130 4.350 0.001 0.000 0.266 44 E C 0.460 177.137 176.600 0.129 0.000 0.901 44 E CA 0.001 56.465 56.400 0.106 0.000 0.782 44 E CB 2.216 31.979 29.700 0.105 0.000 1.228 44 E HN 0.525 nan 8.360 nan 0.000 0.424 45 A N 3.011 125.944 122.820 0.188 0.000 1.911 45 A HA 0.329 4.649 4.320 0.001 0.000 0.212 45 A C 1.225 178.865 177.584 0.093 0.000 1.189 45 A CA 0.969 53.129 52.037 0.204 0.000 0.639 45 A CB -0.772 18.490 19.000 0.436 0.000 0.839 45 A HN 0.567 nan 8.150 nan 0.000 0.449 46 G N -0.272 108.572 108.800 0.073 0.000 2.588 46 G HA2 0.472 4.432 3.960 0.001 0.000 0.281 46 G HA3 0.472 4.432 3.960 0.001 0.000 0.281 46 G C -2.604 172.337 174.900 0.068 0.000 1.236 46 G CA -1.161 43.944 45.100 0.008 0.000 0.969 46 G HN 0.224 nan 8.290 nan 0.000 0.504 47 P HA 0.136 nan 4.420 nan 0.000 0.276 47 P C -0.468 176.890 177.300 0.097 0.000 1.252 47 P CA -0.520 62.647 63.100 0.113 0.000 0.802 47 P CB 0.820 32.606 31.700 0.144 0.000 1.035 48 D N 0.506 120.946 120.400 0.067 0.000 2.506 48 D HA -0.084 4.556 4.640 0.001 0.000 0.234 48 D C 0.823 177.132 176.300 0.014 0.000 1.143 48 D CA 0.442 54.419 54.000 -0.038 0.000 0.871 48 D CB 0.330 41.004 40.800 -0.209 0.000 1.190 48 D HN 0.354 nan 8.370 nan 0.000 0.459 49 D N 2.291 122.704 120.400 0.021 0.000 2.407 49 D HA -0.044 4.596 4.640 0.001 0.000 0.208 49 D C 0.165 176.491 176.300 0.044 0.000 1.083 49 D CA -0.273 53.749 54.000 0.036 0.000 0.844 49 D CB -0.068 40.763 40.800 0.052 0.000 0.967 49 D HN 0.248 nan 8.370 nan 0.000 0.506 50 R N 0.862 121.346 120.500 -0.026 0.000 2.504 50 R HA 0.273 4.614 4.340 0.001 0.000 0.291 50 R C 1.125 177.406 176.300 -0.032 0.000 0.974 50 R CA 0.981 57.017 56.100 -0.108 0.000 1.077 50 R CB -0.132 29.996 30.300 -0.287 0.000 0.926 50 R HN 0.271 nan 8.270 nan 0.000 0.407 51 G N 1.946 110.744 108.800 -0.003 0.000 2.305 51 G HA2 -0.261 3.700 3.960 0.001 0.000 0.287 51 G HA3 -0.261 3.700 3.960 0.001 0.000 0.287 51 G C -0.091 174.825 174.900 0.026 0.000 1.036 51 G CA 0.114 45.223 45.100 0.014 0.000 0.887 51 G HN 0.435 nan 8.290 nan 0.000 0.505 52 V N 1.681 121.606 119.914 0.018 0.000 2.275 52 V HA 0.260 4.381 4.120 0.001 0.000 0.272 52 V C -0.156 175.933 176.094 -0.009 0.000 1.028 52 V CA -0.757 61.547 62.300 0.007 0.000 0.810 52 V CB 1.611 33.416 31.823 -0.029 0.000 1.043 52 V HN 0.190 nan 8.190 nan 0.000 0.453 53 P HA -0.214 nan 4.420 nan 0.000 0.216 53 P C 1.216 178.529 177.300 0.021 0.000 1.153 53 P CA 1.410 64.525 63.100 0.025 0.000 0.858 53 P CB 0.376 32.098 31.700 0.037 0.000 0.789 54 E N -0.026 120.182 120.200 0.013 0.000 2.427 54 E HA -0.026 4.325 4.350 0.001 0.000 0.196 54 E C 1.779 178.362 176.600 -0.027 0.000 1.028 54 E CA 0.591 57.003 56.400 0.020 0.000 0.864 54 E CB -0.843 28.890 29.700 0.054 0.000 0.813 54 E HN 0.127 nan 8.360 nan 0.000 0.514 55 V N 1.226 121.071 119.914 -0.114 0.000 2.492 55 V HA -0.085 4.036 4.120 0.001 0.000 0.241 55 V C 2.453 178.531 176.094 -0.026 0.000 1.041 55 V CA 0.764 62.987 62.300 -0.128 0.000 1.057 55 V CB -0.274 31.387 31.823 -0.271 0.000 0.711 55 V HN 0.162 nan 8.190 nan 0.000 0.468 56 L N -0.508 120.706 121.223 -0.014 0.000 2.072 56 L HA -0.067 4.274 4.340 0.001 0.000 0.205 56 L C 1.138 178.029 176.870 0.034 0.000 1.079 56 L CA 0.993 55.841 54.840 0.014 0.000 0.752 56 L CB -0.390 41.685 42.059 0.026 0.000 0.906 56 L HN 0.351 nan 8.230 nan 0.000 0.436 57 Q N 0.969 120.799 119.800 0.049 0.000 2.286 57 Q HA -0.010 4.330 4.340 0.001 0.000 0.267 57 Q C 0.899 176.966 176.000 0.111 0.000 1.028 57 Q CA -0.258 55.587 55.803 0.070 0.000 0.901 57 Q CB 1.369 30.152 28.738 0.075 0.000 1.183 57 Q HN 0.158 nan 8.270 nan 0.000 0.392 58 L N 4.368 125.659 121.223 0.113 0.000 2.056 58 L HA -0.154 4.187 4.340 0.001 0.000 0.207 58 L C 1.610 178.660 176.870 0.299 0.000 1.078 58 L CA 2.127 57.068 54.840 0.170 0.000 0.749 58 L CB -0.360 41.759 42.059 0.100 0.000 0.901 58 L HN 0.749 nan 8.230 nan 0.000 0.433 59 D N -0.978 119.559 120.400 0.229 0.000 2.403 59 D HA -0.211 4.430 4.640 0.001 0.000 0.227 59 D C 1.519 178.097 176.300 0.464 0.000 0.995 59 D CA 0.826 55.013 54.000 0.312 0.000 0.928 59 D CB -0.409 40.465 40.800 0.122 0.000 0.887 59 D HN 0.445 nan 8.370 nan 0.000 0.529 60 R N -0.124 120.559 120.500 0.306 0.000 2.432 60 R HA 0.096 4.437 4.340 0.001 0.000 0.260 60 R C 1.602 177.973 176.300 0.119 0.000 0.935 60 R CA -0.154 56.054 56.100 0.179 0.000 1.080 60 R CB -0.176 30.201 30.300 0.127 0.000 1.155 60 R HN 0.403 nan 8.270 nan 0.000 0.531 61 W N 0.824 122.203 121.300 0.132 0.000 2.325 61 W HA -0.182 4.479 4.660 0.001 0.000 0.299 61 W C 0.920 177.452 176.519 0.021 0.000 1.215 61 W CA 0.707 58.087 57.345 0.059 0.000 1.244 61 W CB -0.698 28.786 29.460 0.040 0.000 1.140 61 W HN -0.046 nan 8.180 nan 0.000 0.523 62 M N 1.265 120.292 119.600 -0.954 0.000 2.706 62 M HA -0.076 4.405 4.480 0.001 0.000 0.251 62 M C 1.019 177.097 176.300 -0.370 0.000 1.070 62 M CA 1.337 56.067 55.300 -0.950 0.000 1.073 62 M CB -0.453 31.533 32.600 -1.025 0.000 1.449 62 M HN 0.120 nan 8.290 nan 0.000 0.531 63 E N -0.036 120.054 120.200 -0.185 0.000 2.476 63 E HA 0.086 4.437 4.350 0.001 0.000 0.199 63 E C 1.636 178.242 176.600 0.011 0.000 1.021 63 E CA 0.098 56.454 56.400 -0.073 0.000 0.907 63 E CB 0.325 30.009 29.700 -0.028 0.000 0.974 63 E HN 0.507 nan 8.360 nan 0.000 0.489 64 L N 0.695 121.942 121.223 0.041 0.000 2.270 64 L HA 0.069 4.409 4.340 0.001 0.000 0.210 64 L C 0.815 177.759 176.870 0.125 0.000 1.104 64 L CA 0.113 55.039 54.840 0.142 0.000 0.804 64 L CB -0.105 42.070 42.059 0.193 0.000 0.937 64 L HN 0.088 nan 8.230 nan 0.000 0.450 65 L N 1.172 122.420 121.223 0.041 0.000 2.640 65 L HA -0.143 4.198 4.340 0.001 0.000 0.280 65 L C 1.010 177.914 176.870 0.057 0.000 1.229 65 L CA 0.467 55.332 54.840 0.042 0.000 0.919 65 L CB -0.068 41.988 42.059 -0.004 0.000 1.168 65 L HN 0.292 nan 8.230 nan 0.000 0.496 66 E N -0.254 119.993 120.200 0.079 0.000 3.870 66 E HA -0.263 4.088 4.350 0.001 0.000 0.329 66 E C 0.663 177.277 176.600 0.023 0.000 0.702 66 E CA 1.089 57.519 56.400 0.050 0.000 1.174 66 E CB -0.658 29.064 29.700 0.036 0.000 1.619 66 E HN 0.888 nan 8.360 nan 0.000 0.441 67 S N -1.103 114.619 115.700 0.038 0.000 2.618 67 S HA 0.310 4.780 4.470 0.001 0.000 0.254 67 S C 1.498 176.057 174.600 -0.067 0.000 1.284 67 S CA -0.151 58.054 58.200 0.008 0.000 0.975 67 S CB 0.759 64.009 63.200 0.083 0.000 1.022 67 S HN 0.317 nan 8.310 nan 0.000 0.571 68 G N -1.388 107.297 108.800 -0.192 0.000 2.848 68 G HA2 0.090 4.051 3.960 0.001 0.000 0.208 68 G HA3 0.090 4.051 3.960 0.001 0.000 0.208 68 G C 0.347 174.965 174.900 -0.470 0.000 1.152 68 G CA 0.013 44.906 45.100 -0.345 0.000 0.789 68 G HN 0.740 nan 8.290 nan 0.000 0.531 69 Y N -0.536 119.726 120.300 -0.064 0.000 2.485 69 Y HA 0.267 4.818 4.550 0.001 0.000 0.260 69 Y C 0.210 176.076 175.900 -0.058 0.000 1.173 69 Y CA -0.745 57.316 58.100 -0.065 0.000 1.252 69 Y CB 0.863 39.329 38.460 0.009 0.000 1.123 69 Y HN 0.020 nan 8.280 nan 0.000 0.524 70 D N -1.131 119.288 120.400 0.032 0.000 2.425 70 D HA 0.095 4.736 4.640 0.001 0.000 0.240 70 D C 0.098 176.356 176.300 -0.071 0.000 1.080 70 D CA -0.740 53.296 54.000 0.060 0.000 0.836 70 D CB 0.691 41.566 40.800 0.125 0.000 1.125 70 D HN 0.086 nan 8.370 nan 0.000 0.525 71 W N 2.177 123.405 121.300 -0.120 0.000 2.338 71 W HA -0.110 4.551 4.660 0.001 0.000 0.304 71 W C 0.664 176.878 176.519 -0.508 0.000 1.212 71 W CA 0.978 58.115 57.345 -0.347 0.000 1.264 71 W CB -0.086 29.048 29.460 -0.543 0.000 1.142 71 W HN 0.502 nan 8.180 nan 0.000 0.512 72 D N -1.807 118.502 120.400 -0.151 0.000 3.585 72 D HA -0.197 4.443 4.640 0.001 0.000 0.251 72 D C -1.614 174.618 176.300 -0.115 0.000 1.065 72 D CA 0.319 54.280 54.000 -0.064 0.000 1.048 72 D CB -1.603 39.190 40.800 -0.012 0.000 0.952 72 D HN 0.109 nan 8.370 nan 0.000 0.421 73 Y N 1.925 122.369 120.300 0.241 0.000 2.454 73 Y HA 0.440 4.991 4.550 0.001 0.000 0.345 73 Y C -1.649 174.356 175.900 0.175 0.000 0.970 73 Y CA -2.249 55.965 58.100 0.189 0.000 1.204 73 Y CB 0.983 39.545 38.460 0.170 0.000 1.122 73 Y HN 0.062 nan 8.280 nan 0.000 0.514 74 P HA 0.103 nan 4.420 nan 0.000 0.272 74 P C 0.074 177.477 177.300 0.172 0.000 1.223 74 P CA -0.177 63.024 63.100 0.169 0.000 0.784 74 P CB 0.852 32.614 31.700 0.102 0.000 0.923 75 I N -1.718 118.934 120.570 0.137 0.000 2.918 75 I HA 0.476 4.647 4.170 0.001 0.000 0.316 75 I C 0.291 176.448 176.117 0.068 0.000 1.001 75 I CA -1.057 60.321 61.300 0.130 0.000 1.142 75 I CB 0.770 38.875 38.000 0.175 0.000 1.356 75 I HN 0.088 nan 8.210 nan 0.000 0.524 76 E N 2.229 122.458 120.200 0.048 0.000 2.390 76 E HA 0.304 4.655 4.350 0.001 0.000 0.261 76 E C -2.270 174.348 176.600 0.029 0.000 1.076 76 E CA -1.559 54.854 56.400 0.022 0.000 0.905 76 E CB 0.138 29.842 29.700 0.006 0.000 0.984 76 E HN 0.426 nan 8.360 nan 0.000 0.427 77 P HA -0.085 nan 4.420 nan 0.000 0.266 77 P C -0.480 176.851 177.300 0.052 0.000 1.186 77 P CA 0.564 63.674 63.100 0.018 0.000 0.767 77 P CB 0.436 32.138 31.700 0.003 0.000 0.820 78 Q N 2.178 122.030 119.800 0.087 0.000 2.333 78 Q HA 0.119 4.459 4.340 0.001 0.000 0.265 78 Q C 1.070 177.140 176.000 0.118 0.000 0.989 78 Q CA -0.295 55.587 55.803 0.131 0.000 0.842 78 Q CB 1.320 30.198 28.738 0.233 0.000 1.262 78 Q HN 0.487 nan 8.270 nan 0.000 0.451 79 E N 1.621 121.879 120.200 0.097 0.000 2.065 79 E HA -0.231 4.119 4.350 0.001 0.000 0.201 79 E C 0.442 177.110 176.600 0.113 0.000 1.016 79 E CA 1.358 57.809 56.400 0.086 0.000 0.818 79 E CB 0.142 29.883 29.700 0.069 0.000 0.749 79 E HN 0.307 nan 8.360 nan 0.000 0.453 80 N N -0.123 118.674 118.700 0.161 0.000 2.599 80 N HA 0.231 4.972 4.740 0.001 0.000 0.309 80 N C -0.988 174.689 175.510 0.279 0.000 1.743 80 N CA 0.102 53.262 53.050 0.184 0.000 0.918 80 N CB 1.140 39.736 38.487 0.181 0.000 1.339 80 N HN 0.202 nan 8.380 nan 0.000 0.493 81 G N -0.323 108.656 108.800 0.298 0.000 2.731 81 G HA2 0.176 4.137 3.960 0.001 0.000 0.309 81 G HA3 0.176 4.137 3.960 0.001 0.000 0.309 81 G C -1.613 173.488 174.900 0.334 0.000 1.273 81 G CA -0.639 44.743 45.100 0.470 0.000 0.798 81 G HN 0.206 nan 8.290 nan 0.000 0.509 82 N N 0.144 119.026 118.700 0.304 0.000 2.609 82 N HA 0.345 5.085 4.740 0.001 0.000 0.234 82 N C 0.938 176.517 175.510 0.114 0.000 1.001 82 N CA -0.202 52.883 53.050 0.057 0.000 0.926 82 N CB 1.334 39.612 38.487 -0.349 0.000 1.130 82 N HN 0.166 nan 8.380 nan 0.000 0.510 83 S N 2.106 117.890 115.700 0.141 0.000 2.500 83 S HA -0.022 4.449 4.470 0.001 0.000 0.239 83 S C 0.906 175.466 174.600 -0.066 0.000 0.989 83 S CA 0.585 58.803 58.200 0.030 0.000 0.951 83 S CB -0.339 62.829 63.200 -0.054 0.000 0.759 83 S HN 0.579 nan 8.310 nan 0.000 0.523 84 F N 0.896 120.843 119.950 -0.006 0.000 2.743 84 F HA 0.302 4.830 4.527 0.001 0.000 0.297 84 F C 1.172 176.944 175.800 -0.046 0.000 1.131 84 F CA -0.049 57.936 58.000 -0.025 0.000 1.426 84 F CB -0.245 38.730 39.000 -0.042 0.000 1.116 84 F HN 0.173 nan 8.300 nan 0.000 0.583 85 M N 1.173 120.822 119.600 0.083 0.000 2.250 85 M HA 0.162 4.643 4.480 0.001 0.000 0.325 85 M C -0.273 176.036 176.300 0.016 0.000 1.084 85 M CA 0.810 56.100 55.300 -0.017 0.000 1.161 85 M CB 0.519 33.047 32.600 -0.120 0.000 1.481 85 M HN 0.006 nan 8.290 nan 0.000 0.449 86 R N 2.200 122.699 120.500 -0.002 0.000 2.621 86 R HA 0.350 4.691 4.340 0.001 0.000 0.284 86 R C -1.277 175.076 176.300 0.088 0.000 0.998 86 R CA -0.906 55.246 56.100 0.087 0.000 0.895 86 R CB 1.388 31.771 30.300 0.139 0.000 1.195 86 R HN 0.652 nan 8.270 nan 0.000 0.450 87 H N 1.715 120.955 119.070 0.284 0.000 2.787 87 H HA 0.220 4.777 4.556 0.001 0.000 0.275 87 H C -0.126 175.461 175.328 0.431 0.000 1.183 87 H CA -0.322 55.939 56.048 0.355 0.000 1.290 87 H CB 1.061 31.011 29.762 0.313 0.000 1.438 87 H HN 0.674 nan 8.280 nan 0.000 0.487 88 A N 5.207 128.393 122.820 0.609 0.000 2.491 88 A HA 0.231 4.552 4.320 0.001 0.000 0.261 88 A C 0.417 178.350 177.584 0.582 0.000 1.101 88 A CA -0.124 52.218 52.037 0.508 0.000 0.772 88 A CB 0.128 19.359 19.000 0.385 0.000 1.043 88 A HN 0.486 nan 8.150 nan 0.000 0.501 89 R N 1.726 122.503 120.500 0.462 0.000 2.480 89 R HA 0.540 4.881 4.340 0.001 0.000 0.306 89 R C -0.047 176.455 176.300 0.336 0.000 0.958 89 R CA -0.356 55.973 56.100 0.382 0.000 0.861 89 R CB 1.561 32.148 30.300 0.479 0.000 1.171 89 R HN 0.845 nan 8.270 nan 0.000 0.445 90 A N 2.825 125.598 122.820 -0.080 0.000 2.462 90 A HA 0.150 4.470 4.320 0.001 0.000 0.243 90 A C 0.080 177.761 177.584 0.162 0.000 1.076 90 A CA 0.130 52.138 52.037 -0.048 0.000 0.773 90 A CB 0.254 19.052 19.000 -0.335 0.000 1.010 90 A HN 0.579 nan 8.150 nan 0.000 0.493 91 K N 2.245 122.638 120.400 -0.012 0.000 2.540 91 K HA 0.549 4.869 4.320 0.001 0.000 0.218 91 K C -1.351 175.257 176.600 0.013 0.000 1.017 91 K CA -0.150 56.017 56.287 -0.201 0.000 1.029 91 K CB 0.701 32.662 32.500 -0.899 0.000 1.348 91 K HN 0.640 nan 8.250 nan 0.000 0.508 92 V N 2.416 122.384 119.914 0.090 0.000 3.298 92 V HA 0.226 4.347 4.120 0.001 0.000 0.276 92 V C -1.525 174.618 176.094 0.081 0.000 1.699 92 V CA -1.067 61.294 62.300 0.102 0.000 1.039 92 V CB 2.172 34.041 31.823 0.076 0.000 1.243 92 V HN 0.543 nan 8.190 nan 0.000 0.472 93 M N 2.255 121.897 119.600 0.069 0.000 2.245 93 M HA 0.395 4.875 4.480 0.001 0.000 0.344 93 M C 1.440 177.769 176.300 0.048 0.000 1.170 93 M CA 1.524 56.865 55.300 0.069 0.000 1.135 93 M CB -0.108 32.539 32.600 0.078 0.000 1.574 93 M HN 1.492 nan 8.290 nan 0.000 0.452 94 G N 1.873 110.700 108.800 0.045 0.000 2.241 94 G HA2 -0.162 3.799 3.960 0.001 0.000 0.244 94 G HA3 -0.162 3.799 3.960 0.001 0.000 0.244 94 G C 0.765 175.677 174.900 0.020 0.000 0.998 94 G CA 0.420 45.533 45.100 0.023 0.000 0.621 94 G HN 1.490 nan 8.290 nan 0.000 0.519 95 G N -1.077 107.741 108.800 0.030 0.000 2.527 95 G HA2 -0.244 3.717 3.960 0.001 0.000 0.268 95 G HA3 -0.244 3.717 3.960 0.001 0.000 0.268 95 G C 1.269 176.132 174.900 -0.062 0.000 1.175 95 G CA 1.325 46.437 45.100 0.019 0.000 0.962 95 G HN 1.399 nan 8.290 nan 0.000 0.560 96 C N 1.155 120.400 119.300 -0.092 0.000 2.448 96 C HA 0.254 4.714 4.460 0.001 0.000 0.280 96 C C 3.288 178.304 174.990 0.042 0.000 1.398 96 C CA 1.898 60.816 59.018 -0.167 0.000 1.774 96 C CB -1.204 26.497 27.740 -0.064 0.000 1.888 96 C HN 1.142 nan 8.230 nan 0.000 0.519 97 S N 0.671 116.383 115.700 0.020 0.000 2.465 97 S HA -0.111 4.359 4.470 0.001 0.000 0.241 97 S C 1.543 176.158 174.600 0.024 0.000 1.000 97 S CA 1.862 60.075 58.200 0.021 0.000 0.964 97 S CB -0.263 62.946 63.200 0.016 0.000 0.763 97 S HN 0.601 nan 8.310 nan 0.000 0.512 98 S N -0.127 115.593 115.700 0.034 0.000 2.540 98 S HA 0.188 4.659 4.470 0.001 0.000 0.218 98 S C 0.906 175.582 174.600 0.127 0.000 0.977 98 S CA 0.168 58.392 58.200 0.040 0.000 0.918 98 S CB -0.083 63.118 63.200 0.003 0.000 0.806 98 S HN 1.011 nan 8.310 nan 0.000 0.496 99 H N -0.002 119.082 119.070 0.024 0.000 3.540 99 H HA 0.326 4.882 4.556 0.001 0.000 0.259 99 H C 0.206 175.554 175.328 0.033 0.000 1.197 99 H CA -0.515 55.581 56.048 0.080 0.000 1.136 99 H CB 0.111 29.932 29.762 0.099 0.000 1.605 99 H HN 0.292 nan 8.280 nan 0.000 0.657 100 N N 0.945 119.691 118.700 0.076 0.000 2.405 100 N HA 0.195 4.936 4.740 0.001 0.000 0.269 100 N C 0.786 175.871 175.510 -0.708 0.000 1.249 100 N CA -0.019 52.830 53.050 -0.336 0.000 0.974 100 N CB 0.850 39.244 38.487 -0.154 0.000 1.204 100 N HN 0.237 nan 8.380 nan 0.000 0.565 101 A N -1.170 121.001 122.820 -1.082 0.000 2.302 101 A HA 0.216 4.537 4.320 0.001 0.000 0.219 101 A C 0.597 177.907 177.584 -0.456 0.000 1.243 101 A CA -0.297 51.105 52.037 -1.058 0.000 0.856 101 A CB -1.315 17.085 19.000 -1.001 0.000 0.893 101 A HN 0.804 nan 8.150 nan 0.000 0.491 102 C N -1.382 117.714 119.300 -0.341 0.000 4.259 102 C HA -0.176 4.285 4.460 0.001 0.000 0.294 102 C C 0.596 175.441 174.990 -0.242 0.000 1.459 102 C CA 0.107 58.998 59.018 -0.210 0.000 2.016 102 C CB -3.012 24.649 27.740 -0.130 0.000 1.274 102 C HN 0.595 nan 8.230 nan 0.000 0.792 103 I N 1.028 121.386 120.570 -0.353 0.000 2.618 103 I HA 0.359 4.530 4.170 0.001 0.000 0.284 103 I C 0.722 176.595 176.117 -0.406 0.000 1.146 103 I CA 1.260 62.236 61.300 -0.540 0.000 1.425 103 I CB 0.564 38.045 38.000 -0.865 0.000 1.383 103 I HN 0.457 nan 8.210 nan 0.000 0.562 104 A N 7.741 130.281 122.820 -0.467 0.000 2.340 104 A HA 0.745 5.065 4.320 0.001 0.000 0.297 104 A C -0.989 176.401 177.584 -0.324 0.000 1.195 104 A CA -0.325 51.556 52.037 -0.260 0.000 0.769 104 A CB 0.263 19.196 19.000 -0.112 0.000 1.163 104 A HN 0.544 nan 8.150 nan 0.000 0.472 105 F N 1.291 121.259 119.950 0.030 0.000 2.529 105 F HA 0.484 5.011 4.527 0.002 0.000 0.320 105 F C -0.529 175.309 175.800 0.063 0.000 1.118 105 F CA -0.738 57.301 58.000 0.065 0.000 0.915 105 F CB 1.689 40.707 39.000 0.029 0.000 1.161 105 F HN 0.618 nan 8.300 nan 0.000 0.445 106 W N 2.980 124.227 121.300 -0.089 0.000 2.251 106 W HA 0.447 5.108 4.660 0.001 0.000 0.327 106 W C 0.269 176.674 176.519 -0.190 0.000 1.361 106 W CA -0.661 56.352 57.345 -0.553 0.000 1.234 106 W CB 0.031 29.037 29.460 -0.757 0.000 1.212 106 W HN 0.491 nan 8.180 nan 0.000 0.557 107 A N 6.526 129.417 122.820 0.118 0.000 2.462 107 A HA 0.339 4.659 4.320 0.001 0.000 0.243 107 A C -2.093 175.660 177.584 0.282 0.000 1.076 107 A CA -1.142 51.026 52.037 0.217 0.000 0.773 107 A CB -0.497 18.660 19.000 0.261 0.000 1.010 107 A HN 0.409 nan 8.150 nan 0.000 0.493 108 P HA -0.017 nan 4.420 nan 0.000 0.264 108 P C 0.893 178.321 177.300 0.213 0.000 1.183 108 P CA 0.106 63.313 63.100 0.179 0.000 0.763 108 P CB 0.517 32.252 31.700 0.060 0.000 0.807 109 R N 3.075 123.713 120.500 0.230 0.000 2.117 109 R HA -0.221 4.120 4.340 0.001 0.000 0.243 109 R C 0.851 177.112 176.300 -0.065 0.000 1.143 109 R CA 1.804 57.880 56.100 -0.039 0.000 0.968 109 R CB -0.720 29.427 30.300 -0.255 0.000 0.863 109 R HN 0.324 nan 8.270 nan 0.000 0.444 110 E N 0.791 120.980 120.200 -0.018 0.000 2.347 110 E HA -0.089 4.262 4.350 0.001 0.000 0.196 110 E C 1.224 177.834 176.600 0.018 0.000 1.008 110 E CA 1.079 57.468 56.400 -0.018 0.000 0.852 110 E CB -0.031 29.660 29.700 -0.016 0.000 0.783 110 E HN 0.410 nan 8.360 nan 0.000 0.505 111 D N 0.036 120.456 120.400 0.033 0.000 2.120 111 D HA -0.026 4.615 4.640 0.001 0.000 0.202 111 D C 1.876 178.071 176.300 -0.176 0.000 0.972 111 D CA 0.757 54.796 54.000 0.065 0.000 0.837 111 D CB 0.033 40.895 40.800 0.104 0.000 0.989 111 D HN 0.172 nan 8.370 nan 0.000 0.469 112 L N 0.852 121.903 121.223 -0.287 0.000 2.109 112 L HA -0.109 4.232 4.340 0.001 0.000 0.207 112 L C 1.840 178.591 176.870 -0.199 0.000 1.086 112 L CA 0.809 55.340 54.840 -0.515 0.000 0.760 112 L CB -0.281 41.590 42.059 -0.313 0.000 0.910 112 L HN -0.108 nan 8.230 nan 0.000 0.437 113 D N 0.345 120.685 120.400 -0.100 0.000 2.178 113 D HA -0.175 4.466 4.640 0.001 0.000 0.201 113 D C 2.047 178.382 176.300 0.059 0.000 0.980 113 D CA 1.061 55.044 54.000 -0.029 0.000 0.842 113 D CB 0.048 40.811 40.800 -0.062 0.000 0.948 113 D HN 0.381 nan 8.370 nan 0.000 0.472 114 E N -0.586 119.675 120.200 0.102 0.000 2.152 114 E HA -0.127 4.224 4.350 0.001 0.000 0.192 114 E C 1.835 178.669 176.600 0.390 0.000 0.983 114 E CA 0.223 56.730 56.400 0.179 0.000 0.818 114 E CB -0.014 29.824 29.700 0.230 0.000 0.758 114 E HN 0.318 nan 8.360 nan 0.000 0.467 115 W N 1.574 123.024 121.300 0.249 0.000 2.304 115 W HA -0.223 4.438 4.660 0.001 0.000 0.315 115 W C 2.221 178.864 176.519 0.207 0.000 1.233 115 W CA 1.351 58.867 57.345 0.285 0.000 1.261 115 W CB -0.850 28.730 29.460 0.199 0.000 1.150 115 W HN 0.224 nan 8.180 nan 0.000 0.494 116 E N -0.638 119.803 120.200 0.402 0.000 2.086 116 E HA -0.036 4.315 4.350 0.001 0.000 0.190 116 E C 2.192 178.871 176.600 0.132 0.000 0.975 116 E CA 1.284 57.835 56.400 0.252 0.000 0.813 116 E CB -0.193 29.633 29.700 0.210 0.000 0.768 116 E HN 0.037 nan 8.360 nan 0.000 0.457 117 A N 0.764 123.634 122.820 0.085 0.000 1.975 117 A HA 0.017 4.337 4.320 0.001 0.000 0.215 117 A C 2.012 179.548 177.584 -0.081 0.000 1.170 117 A CA 0.809 52.847 52.037 0.002 0.000 0.656 117 A CB -0.035 18.959 19.000 -0.009 0.000 0.821 117 A HN 0.061 nan 8.150 nan 0.000 0.449 118 K N -1.794 118.496 120.400 -0.185 0.000 2.168 118 K HA 0.077 4.398 4.320 0.001 0.000 0.201 118 K C 0.226 176.522 176.600 -0.506 0.000 1.049 118 K CA 0.877 56.864 56.287 -0.500 0.000 0.974 118 K CB 0.056 31.945 32.500 -1.018 0.000 0.792 118 K HN 0.620 nan 8.250 nan 0.000 0.463 119 Y N -0.316 120.012 120.300 0.047 0.000 2.681 119 Y HA 0.222 4.773 4.550 0.001 0.000 0.267 119 Y C 1.053 176.938 175.900 -0.026 0.000 1.166 119 Y CA -0.112 57.980 58.100 -0.014 0.000 1.209 119 Y CB 1.081 39.504 38.460 -0.062 0.000 1.161 119 Y HN 0.213 nan 8.280 nan 0.000 0.534 120 G N 0.868 109.722 108.800 0.089 0.000 2.196 120 G HA2 -0.367 3.594 3.960 0.001 0.000 0.268 120 G HA3 -0.367 3.594 3.960 0.001 0.000 0.268 120 G C 0.553 175.503 174.900 0.084 0.000 0.975 120 G CA 0.249 45.387 45.100 0.064 0.000 0.648 120 G HN 0.612 nan 8.290 nan 0.000 0.538 121 A N 1.320 124.214 122.820 0.124 0.000 2.990 121 A HA 0.593 4.914 4.320 0.001 0.000 0.282 121 A C 1.009 178.772 177.584 0.298 0.000 1.688 121 A CA 0.894 53.025 52.037 0.156 0.000 1.391 121 A CB -0.343 18.690 19.000 0.055 0.000 1.112 121 A HN 0.776 nan 8.150 nan 0.000 0.588 122 T N 0.925 115.612 114.554 0.222 0.000 2.891 122 T HA 0.337 4.688 4.350 0.001 0.000 0.296 122 T C 1.607 176.452 174.700 0.242 0.000 1.025 122 T CA 1.495 63.709 62.100 0.190 0.000 1.149 122 T CB 0.427 69.367 68.868 0.119 0.000 1.007 122 T HN 1.778 nan 8.240 nan 0.000 0.528 123 G N 2.387 111.270 108.800 0.138 0.000 2.199 123 G HA2 -0.229 3.732 3.960 0.001 0.000 0.254 123 G HA3 -0.229 3.732 3.960 0.001 0.000 0.254 123 G C -0.067 174.771 174.900 -0.103 0.000 0.982 123 G CA -0.415 44.680 45.100 -0.007 0.000 0.632 123 G HN 0.728 nan 8.290 nan 0.000 0.529 124 W N 2.754 124.115 121.300 0.102 0.000 2.292 124 W HA 0.619 5.280 4.660 0.001 0.000 0.352 124 W C 0.515 177.095 176.519 0.103 0.000 0.962 124 W CA -0.076 57.362 57.345 0.156 0.000 1.496 124 W CB 0.198 29.856 29.460 0.330 0.000 1.381 124 W HN 0.563 nan 8.180 nan 0.000 0.363 125 N N 0.244 119.012 118.700 0.113 0.000 3.418 125 N HA 0.628 5.369 4.740 0.001 0.000 0.316 125 N C 0.579 176.049 175.510 -0.067 0.000 1.601 125 N CA -0.351 52.710 53.050 0.017 0.000 0.805 125 N CB 0.135 38.615 38.487 -0.012 0.000 1.873 125 N HN 0.001 nan 8.380 nan 0.000 0.615 126 A N -0.368 122.353 122.820 -0.166 0.000 1.929 126 A HA -0.047 4.273 4.320 0.001 0.000 0.216 126 A C 1.688 179.142 177.584 -0.218 0.000 1.176 126 A CA 1.310 53.161 52.037 -0.310 0.000 0.628 126 A CB -1.044 17.515 19.000 -0.736 0.000 0.816 126 A HN 0.744 nan 8.150 nan 0.000 0.444 127 E N -0.104 119.990 120.200 -0.177 0.000 2.048 127 E HA -0.237 4.114 4.350 0.001 0.000 0.202 127 E C 2.315 178.889 176.600 -0.044 0.000 1.021 127 E CA 1.411 57.752 56.400 -0.098 0.000 0.825 127 E CB -0.318 29.331 29.700 -0.084 0.000 0.756 127 E HN 0.613 nan 8.360 nan 0.000 0.454 128 A N 0.849 123.618 122.820 -0.084 0.000 1.933 128 A HA -0.085 4.236 4.320 0.001 0.000 0.218 128 A C 2.262 179.778 177.584 -0.114 0.000 1.175 128 A CA 1.781 53.737 52.037 -0.134 0.000 0.628 128 A CB -0.449 18.400 19.000 -0.251 0.000 0.814 128 A HN 0.313 nan 8.150 nan 0.000 0.444 129 A N -2.179 120.612 122.820 -0.049 0.000 1.975 129 A HA 0.005 4.326 4.320 0.001 0.000 0.215 129 A C 2.052 179.663 177.584 0.046 0.000 1.170 129 A CA 0.534 52.507 52.037 -0.107 0.000 0.656 129 A CB -0.706 18.206 19.000 -0.147 0.000 0.821 129 A HN 0.763 nan 8.150 nan 0.000 0.449 130 W N 0.554 121.831 121.300 -0.039 0.000 2.363 130 W HA -0.095 4.566 4.660 0.001 0.000 0.296 130 W C -1.033 175.531 176.519 0.076 0.000 1.212 130 W CA 1.398 58.824 57.345 0.135 0.000 1.260 130 W CB -0.692 28.926 29.460 0.262 0.000 1.131 130 W HN 0.314 nan 8.180 nan 0.000 0.530 131 P HA -0.117 nan 4.420 nan 0.000 0.222 131 P C 1.504 178.816 177.300 0.020 0.000 1.153 131 P CA 1.436 64.607 63.100 0.119 0.000 0.798 131 P CB -0.233 31.511 31.700 0.073 0.000 0.796 132 L N -2.871 118.306 121.223 -0.077 0.000 2.162 132 L HA -0.071 4.269 4.340 0.001 0.000 0.205 132 L C 2.413 179.174 176.870 -0.181 0.000 1.086 132 L CA 1.102 55.855 54.840 -0.145 0.000 0.778 132 L CB -1.061 40.866 42.059 -0.221 0.000 0.928 132 L HN -0.056 nan 8.230 nan 0.000 0.446 133 Y N 0.751 120.837 120.300 -0.357 0.000 2.207 133 Y HA -0.322 4.228 4.550 0.001 0.000 0.287 133 Y C 2.858 178.553 175.900 -0.342 0.000 1.156 133 Y CA 1.354 59.047 58.100 -0.679 0.000 1.182 133 Y CB -0.035 37.319 38.460 -1.843 0.000 0.979 133 Y HN 0.125 nan 8.280 nan 0.000 0.521 134 K N 0.695 121.106 120.400 0.018 0.000 2.025 134 K HA -0.224 4.097 4.320 0.001 0.000 0.207 134 K C 2.277 178.932 176.600 0.093 0.000 1.049 134 K CA 1.224 57.610 56.287 0.164 0.000 0.933 134 K CB -0.177 32.439 32.500 0.192 0.000 0.714 134 K HN 0.136 nan 8.250 nan 0.000 0.438 135 R N 0.823 121.351 120.500 0.047 0.000 2.103 135 R HA -0.178 4.163 4.340 0.001 0.000 0.242 135 R C 2.384 178.701 176.300 0.027 0.000 1.142 135 R CA 1.992 58.110 56.100 0.030 0.000 0.960 135 R CB -0.368 29.940 30.300 0.013 0.000 0.858 135 R HN 0.321 nan 8.270 nan 0.000 0.439 136 L N -0.239 121.006 121.223 0.036 0.000 2.240 136 L HA 0.094 4.434 4.340 0.001 0.000 0.211 136 L C 0.526 177.411 176.870 0.025 0.000 1.106 136 L CA 0.861 55.727 54.840 0.043 0.000 0.793 136 L CB -0.491 41.631 42.059 0.106 0.000 0.927 136 L HN 0.118 nan 8.230 nan 0.000 0.446 137 E N -0.126 120.114 120.200 0.067 0.000 2.204 137 E HA 0.401 4.752 4.350 0.001 0.000 0.276 137 E C -0.944 175.690 176.600 0.056 0.000 0.974 137 E CA -0.703 55.751 56.400 0.090 0.000 0.815 137 E CB 1.203 31.006 29.700 0.172 0.000 1.119 137 E HN 0.041 nan 8.360 nan 0.000 0.393 138 T N 3.545 118.119 114.554 0.033 0.000 2.874 138 T HA 0.227 4.578 4.350 0.001 0.000 0.321 138 T C -0.751 173.899 174.700 -0.084 0.000 1.075 138 T CA -0.723 61.340 62.100 -0.061 0.000 0.966 138 T CB 0.198 68.945 68.868 -0.201 0.000 1.001 138 T HN 0.417 nan 8.240 nan 0.000 0.476 139 N N 2.310 120.941 118.700 -0.115 0.000 2.430 139 N HA 0.131 4.871 4.740 0.001 0.000 0.292 139 N C 1.048 176.411 175.510 -0.246 0.000 1.051 139 N CA -0.335 52.588 53.050 -0.211 0.000 0.917 139 N CB 1.871 40.113 38.487 -0.410 0.000 1.164 139 N HN 0.695 nan 8.380 nan 0.000 0.484 140 E N 2.147 122.225 120.200 -0.204 0.000 2.153 140 E HA -0.171 4.180 4.350 0.001 0.000 0.194 140 E C -0.083 176.415 176.600 -0.170 0.000 0.988 140 E CA 1.310 57.615 56.400 -0.159 0.000 0.811 140 E CB 0.222 29.855 29.700 -0.111 0.000 0.746 140 E HN 0.512 nan 8.360 nan 0.000 0.466 141 D N 0.548 120.797 120.400 -0.252 0.000 2.363 141 D HA 0.083 4.724 4.640 0.001 0.000 0.226 141 D C 0.013 176.218 176.300 -0.158 0.000 1.020 141 D CA 0.535 54.418 54.000 -0.195 0.000 0.892 141 D CB -0.001 40.701 40.800 -0.163 0.000 0.900 141 D HN 0.261 nan 8.370 nan 0.000 0.531 142 A N 0.184 122.870 122.820 -0.224 0.000 2.520 142 A HA 0.517 4.838 4.320 0.001 0.000 0.235 142 A C 0.956 178.516 177.584 -0.039 0.000 1.065 142 A CA 0.780 52.759 52.037 -0.097 0.000 0.764 142 A CB 0.373 19.315 19.000 -0.097 0.000 1.002 142 A HN 0.258 nan 8.150 nan 0.000 0.502 143 G N 0.218 109.013 108.800 -0.008 0.000 2.322 143 G HA2 0.443 4.403 3.960 0.001 0.000 0.295 143 G HA3 0.443 4.403 3.960 0.001 0.000 0.295 143 G C -2.828 172.079 174.900 0.010 0.000 1.369 143 G CA -0.008 45.090 45.100 -0.003 0.000 0.821 143 G HN 0.285 nan 8.290 nan 0.000 0.536 144 P HA 0.083 nan 4.420 nan 0.000 0.223 144 P C 0.967 178.283 177.300 0.027 0.000 1.151 144 P CA 1.427 64.538 63.100 0.018 0.000 0.787 144 P CB 0.150 31.857 31.700 0.012 0.000 0.788 145 D N -0.861 119.554 120.400 0.026 0.000 2.340 145 D HA 0.118 4.758 4.640 0.001 0.000 0.220 145 D C 0.518 176.852 176.300 0.057 0.000 1.039 145 D CA -0.027 53.993 54.000 0.033 0.000 0.866 145 D CB -0.162 40.651 40.800 0.022 0.000 0.913 145 D HN 0.062 nan 8.370 nan 0.000 0.523 146 A N 1.314 124.175 122.820 0.069 0.000 3.448 146 A HA 0.350 4.671 4.320 0.001 0.000 0.232 146 A C -2.162 175.433 177.584 0.018 0.000 1.018 146 A CA -0.752 51.350 52.037 0.109 0.000 0.996 146 A CB 0.858 19.944 19.000 0.144 0.000 1.283 146 A HN -0.085 nan 8.150 nan 0.000 0.586 147 P HA -0.159 nan 4.420 nan 0.000 0.234 147 P C 1.117 178.456 177.300 0.065 0.000 1.167 147 P CA 1.191 64.325 63.100 0.058 0.000 0.763 147 P CB -0.322 31.425 31.700 0.079 0.000 0.835 148 H N -2.156 116.900 119.070 -0.024 0.000 2.363 148 H HA -0.039 4.518 4.556 0.001 0.000 0.301 148 H C 0.638 176.011 175.328 0.076 0.000 1.074 148 H CA 0.632 56.686 56.048 0.010 0.000 1.354 148 H CB -1.872 27.801 29.762 -0.148 0.000 1.397 148 H HN 0.141 nan 8.280 nan 0.000 0.516 149 H N 1.469 120.013 119.070 -0.878 0.000 3.038 149 H HA 0.167 4.724 4.556 0.001 0.000 0.338 149 H C 0.803 176.071 175.328 -0.100 0.000 1.041 149 H CA 1.002 56.778 56.048 -0.454 0.000 1.394 149 H CB 0.330 29.770 29.762 -0.537 0.000 1.357 149 H HN 0.542 nan 8.280 nan 0.000 0.600 150 G N 0.678 109.590 108.800 0.187 0.000 2.437 150 G HA2 0.281 4.242 3.960 0.001 0.000 0.319 150 G HA3 0.281 4.242 3.960 0.001 0.000 0.319 150 G C 0.184 175.103 174.900 0.031 0.000 1.158 150 G CA -0.371 44.791 45.100 0.104 0.000 0.899 150 G HN 0.742 nan 8.290 nan 0.000 0.502 151 D N -2.139 118.261 120.400 -0.000 0.000 2.516 151 D HA 0.015 4.656 4.640 0.001 0.000 0.241 151 D C 1.023 177.287 176.300 -0.060 0.000 1.246 151 D CA 0.375 54.347 54.000 -0.047 0.000 0.808 151 D CB 0.370 41.142 40.800 -0.046 0.000 1.147 151 D HN 0.332 nan 8.370 nan 0.000 0.527 152 S N -0.310 115.372 115.700 -0.031 0.000 2.900 152 S HA 0.433 4.903 4.470 0.001 0.000 0.253 152 S C 0.634 175.225 174.600 -0.015 0.000 1.029 152 S CA 0.021 58.205 58.200 -0.027 0.000 1.096 152 S CB 0.099 63.292 63.200 -0.013 0.000 1.067 152 S HN 0.325 nan 8.310 nan 0.000 0.610 153 G N 2.042 110.839 108.800 -0.006 0.000 2.412 153 G HA2 0.531 4.492 3.960 0.001 0.000 0.318 153 G HA3 0.531 4.492 3.960 0.001 0.000 0.318 153 G C -1.558 173.348 174.900 0.009 0.000 1.146 153 G CA -1.580 43.516 45.100 -0.006 0.000 0.882 153 G HN 0.166 nan 8.290 nan 0.000 0.501 154 P HA -0.072 nan 4.420 nan 0.000 0.218 154 P C 0.580 177.757 177.300 -0.206 0.000 1.149 154 P CA 0.586 63.566 63.100 -0.200 0.000 0.817 154 P CB 0.150 31.554 31.700 -0.494 0.000 0.785 155 V N 2.398 122.220 119.914 -0.152 0.000 2.406 155 V HA 0.154 4.275 4.120 0.001 0.000 0.272 155 V C 0.137 176.303 176.094 0.121 0.000 1.043 155 V CA -0.490 61.758 62.300 -0.086 0.000 0.915 155 V CB -0.108 31.693 31.823 -0.038 0.000 0.988 155 V HN 0.108 nan 8.190 nan 0.000 0.466 156 H N 5.308 124.338 119.070 -0.067 0.000 2.594 156 H HA 0.590 5.147 4.556 0.001 0.000 0.304 156 H C -0.169 175.134 175.328 -0.042 0.000 1.068 156 H CA -0.721 55.294 56.048 -0.054 0.000 1.308 156 H CB 0.882 30.611 29.762 -0.055 0.000 1.409 156 H HN 0.516 nan 8.280 nan 0.000 0.460 157 L N 3.885 125.151 121.223 0.071 0.000 2.352 157 L HA 0.663 5.004 4.340 0.001 0.000 0.269 157 L C 0.363 177.226 176.870 -0.012 0.000 1.034 157 L CA -0.912 53.942 54.840 0.024 0.000 0.806 157 L CB 1.164 43.236 42.059 0.021 0.000 1.244 157 L HN 0.556 nan 8.230 nan 0.000 0.447 158 M N -0.234 119.360 119.600 -0.009 0.000 2.721 158 M HA 0.546 5.026 4.480 0.001 0.000 0.271 158 M C -1.683 174.619 176.300 0.003 0.000 1.259 158 M CA -0.852 54.436 55.300 -0.020 0.000 0.835 158 M CB 2.079 34.672 32.600 -0.013 0.000 1.689 158 M HN 0.250 nan 8.290 nan 0.000 0.470 159 N N 0.891 119.591 118.700 -0.001 0.000 2.456 159 N HA 0.411 5.152 4.740 0.001 0.000 0.288 159 N C -1.003 174.520 175.510 0.021 0.000 1.059 159 N CA -0.474 52.596 53.050 0.033 0.000 0.946 159 N CB 2.269 40.762 38.487 0.010 0.000 1.150 159 N HN 0.562 nan 8.380 nan 0.000 0.479 160 V N 4.431 124.392 119.914 0.080 0.000 2.434 160 V HA 0.036 4.157 4.120 0.001 0.000 0.281 160 V C -1.778 174.220 176.094 -0.159 0.000 1.005 160 V CA -0.850 61.469 62.300 0.031 0.000 1.089 160 V CB -0.294 31.653 31.823 0.206 0.000 0.978 160 V HN 0.501 nan 8.190 nan 0.000 0.474 161 P HA 0.089 nan 4.420 nan 0.000 0.264 161 P C -2.316 174.636 177.300 -0.581 0.000 1.183 161 P CA -0.973 61.958 63.100 -0.282 0.000 0.763 161 P CB -0.048 31.540 31.700 -0.187 0.000 0.807 162 P HA 0.025 nan 4.420 nan 0.000 0.237 162 P C 0.683 177.668 177.300 -0.524 0.000 1.723 162 P CA 0.186 62.608 63.100 -1.131 0.000 0.882 162 P CB -0.384 30.938 31.700 -0.630 0.000 1.810 163 K N -0.445 119.728 120.400 -0.379 0.000 2.167 163 K HA -0.067 4.253 4.320 0.001 0.000 0.203 163 K C 0.500 177.047 176.600 -0.089 0.000 1.052 163 K CA 0.401 56.582 56.287 -0.176 0.000 0.956 163 K CB -0.239 32.181 32.500 -0.133 0.000 0.735 163 K HN -0.032 nan 8.250 nan 0.000 0.451 164 D N 3.025 123.396 120.400 -0.048 0.000 2.342 164 D HA 0.048 4.689 4.640 0.001 0.000 0.260 164 D C -1.433 174.874 176.300 0.011 0.000 1.278 164 D CA -2.435 51.586 54.000 0.035 0.000 0.910 164 D CB 1.470 42.353 40.800 0.139 0.000 1.079 164 D HN 0.067 nan 8.370 nan 0.000 0.496 165 P HA -0.121 nan 4.420 nan 0.000 0.220 165 P C 0.923 177.989 177.300 -0.390 0.000 1.148 165 P CA 0.890 63.943 63.100 -0.078 0.000 0.803 165 P CB 0.215 31.977 31.700 0.102 0.000 0.782 166 T N -1.108 112.993 114.554 -0.754 0.000 2.985 166 T HA 0.033 4.384 4.350 0.001 0.000 0.266 166 T C 2.098 176.250 174.700 -0.912 0.000 1.076 166 T CA 1.305 62.611 62.100 -1.323 0.000 1.135 166 T CB -0.805 67.190 68.868 -1.455 0.000 0.890 166 T HN 0.167 nan 8.240 nan 0.000 0.480 167 G N 1.700 110.159 108.800 -0.568 0.000 2.464 167 G HA2 -0.161 3.800 3.960 0.001 0.000 0.214 167 G HA3 -0.161 3.800 3.960 0.001 0.000 0.214 167 G C 1.657 176.292 174.900 -0.442 0.000 1.218 167 G CA 0.797 45.520 45.100 -0.628 0.000 0.794 167 G HN 0.377 nan 8.290 nan 0.000 0.542 168 V N 1.820 121.679 119.914 -0.093 0.000 2.311 168 V HA -0.306 3.815 4.120 0.001 0.000 0.256 168 V C 3.261 179.265 176.094 -0.151 0.000 1.077 168 V CA 2.437 64.718 62.300 -0.031 0.000 1.067 168 V CB -0.961 30.887 31.823 0.041 0.000 0.659 168 V HN 0.508 nan 8.190 nan 0.000 0.451 169 A N -1.096 121.580 122.820 -0.241 0.000 2.067 169 A HA 0.004 4.325 4.320 0.001 0.000 0.217 169 A C 2.073 179.492 177.584 -0.275 0.000 1.156 169 A CA 1.456 53.371 52.037 -0.203 0.000 0.683 169 A CB -0.295 18.629 19.000 -0.127 0.000 0.808 169 A HN 0.517 nan 8.150 nan 0.000 0.455 170 L N -1.312 119.648 121.223 -0.439 0.000 2.209 170 L HA 0.077 4.417 4.340 0.001 0.000 0.207 170 L C 1.939 178.619 176.870 -0.316 0.000 1.094 170 L CA 1.016 55.596 54.840 -0.433 0.000 0.790 170 L CB -0.203 41.445 42.059 -0.686 0.000 0.932 170 L HN 0.200 nan 8.230 nan 0.000 0.447 171 L N -0.020 121.008 121.223 -0.324 0.000 2.083 171 L HA -0.180 4.161 4.340 0.001 0.000 0.209 171 L C 2.071 178.853 176.870 -0.147 0.000 1.083 171 L CA 1.577 56.278 54.840 -0.232 0.000 0.752 171 L CB -1.143 40.774 42.059 -0.236 0.000 0.899 171 L HN 0.320 nan 8.230 nan 0.000 0.433 172 D N -0.671 119.652 120.400 -0.128 0.000 2.178 172 D HA -0.094 4.547 4.640 0.001 0.000 0.202 172 D C 2.177 178.428 176.300 -0.081 0.000 0.974 172 D CA 1.298 55.248 54.000 -0.083 0.000 0.841 172 D CB -0.044 40.720 40.800 -0.059 0.000 0.953 172 D HN 0.315 nan 8.370 nan 0.000 0.478 173 A N -0.033 122.724 122.820 -0.106 0.000 2.066 173 A HA -0.112 4.208 4.320 0.001 0.000 0.218 173 A C 2.352 179.890 177.584 -0.076 0.000 1.157 173 A CA 0.674 52.659 52.037 -0.087 0.000 0.670 173 A CB -0.656 18.281 19.000 -0.106 0.000 0.804 173 A HN 0.307 nan 8.150 nan 0.000 0.453 174 C N -0.757 118.487 119.300 -0.094 0.000 2.466 174 C HA -0.035 4.426 4.460 0.001 0.000 0.278 174 C C 2.575 177.536 174.990 -0.049 0.000 1.288 174 C CA 0.977 59.952 59.018 -0.072 0.000 1.722 174 C CB -1.046 26.640 27.740 -0.090 0.000 2.017 174 C HN 0.692 nan 8.230 nan 0.000 0.488 175 E N 0.508 120.677 120.200 -0.052 0.000 2.058 175 E HA -0.280 4.071 4.350 0.001 0.000 0.194 175 E C 2.139 178.723 176.600 -0.027 0.000 0.997 175 E CA 1.332 57.709 56.400 -0.037 0.000 0.801 175 E CB -0.242 29.434 29.700 -0.039 0.000 0.746 175 E HN 0.670 nan 8.360 nan 0.000 0.450 176 Q N -0.255 119.527 119.800 -0.029 0.000 2.226 176 Q HA -0.092 4.249 4.340 0.001 0.000 0.204 176 Q C 1.696 177.687 176.000 -0.014 0.000 0.975 176 Q CA 1.267 57.058 55.803 -0.020 0.000 0.866 176 Q CB 0.053 28.778 28.738 -0.021 0.000 0.915 176 Q HN 0.208 nan 8.270 nan 0.000 0.440 177 A N -0.702 122.108 122.820 -0.016 0.000 2.275 177 A HA 0.413 4.734 4.320 0.001 0.000 0.212 177 A C 1.299 178.883 177.584 -0.001 0.000 1.201 177 A CA 0.587 52.620 52.037 -0.007 0.000 0.843 177 A CB 0.089 19.085 19.000 -0.006 0.000 0.873 177 A HN 0.389 nan 8.150 nan 0.000 0.492 178 G N -0.829 107.968 108.800 -0.005 0.000 2.144 178 G HA2 -0.164 3.796 3.960 0.001 0.000 0.218 178 G HA3 -0.164 3.796 3.960 0.001 0.000 0.218 178 G C -0.067 174.835 174.900 0.003 0.000 0.988 178 G CA 0.084 45.184 45.100 0.001 0.000 0.659 178 G HN 0.473 nan 8.290 nan 0.000 0.522 179 I N 2.611 123.180 120.570 -0.003 0.000 2.405 179 I HA 0.324 4.495 4.170 0.001 0.000 0.280 179 I C -2.050 174.058 176.117 -0.014 0.000 1.027 179 I CA -2.336 58.966 61.300 0.002 0.000 1.161 179 I CB 2.109 40.111 38.000 0.004 0.000 1.300 179 I HN -0.090 nan 8.210 nan 0.000 0.463 180 P HA 0.246 nan 4.420 nan 0.000 0.276 180 P C -0.638 176.636 177.300 -0.045 0.000 1.252 180 P CA -0.665 62.418 63.100 -0.028 0.000 0.802 180 P CB 0.780 32.467 31.700 -0.022 0.000 1.035 181 R N 0.350 120.811 120.500 -0.065 0.000 2.522 181 R HA 0.429 4.770 4.340 0.001 0.000 0.284 181 R C 0.265 176.502 176.300 -0.105 0.000 1.032 181 R CA 0.293 56.334 56.100 -0.098 0.000 1.049 181 R CB -0.029 30.217 30.300 -0.091 0.000 0.956 181 R HN 0.564 nan 8.270 nan 0.000 0.422 182 A N 2.949 125.669 122.820 -0.167 0.000 2.479 182 A HA 0.507 4.828 4.320 0.001 0.000 0.296 182 A C -1.041 176.342 177.584 -0.335 0.000 1.121 182 A CA -0.830 51.105 52.037 -0.168 0.000 0.743 182 A CB 1.581 20.533 19.000 -0.080 0.000 1.323 182 A HN 0.616 nan 8.150 nan 0.000 0.415 183 K N 0.270 120.529 120.400 -0.235 0.000 2.118 183 K HA 0.692 5.012 4.320 0.001 0.000 0.254 183 K C -1.473 175.047 176.600 -0.133 0.000 0.961 183 K CA -0.242 55.905 56.287 -0.232 0.000 0.876 183 K CB 0.698 33.148 32.500 -0.084 0.000 1.077 183 K HN 0.522 nan 8.250 nan 0.000 0.440 184 F N 2.361 122.395 119.950 0.140 0.000 2.425 184 F HA 0.256 4.784 4.527 0.001 0.000 0.331 184 F C 0.548 176.420 175.800 0.120 0.000 1.085 184 F CA -0.913 57.222 58.000 0.225 0.000 1.028 184 F CB 1.381 40.605 39.000 0.374 0.000 1.177 184 F HN 0.685 nan 8.300 nan 0.000 0.487 185 N N 0.256 119.132 118.700 0.294 0.000 2.735 185 N HA -0.187 4.554 4.740 0.001 0.000 0.248 185 N C 0.954 176.290 175.510 -0.290 0.000 1.083 185 N CA 1.169 54.159 53.050 -0.100 0.000 0.703 185 N CB -1.577 36.831 38.487 -0.132 0.000 1.005 185 N HN 0.852 nan 8.380 nan 0.000 0.550 186 T N -4.458 109.978 114.554 -0.196 0.000 3.088 186 T HA 0.328 4.678 4.350 0.001 0.000 0.259 186 T C 1.538 175.834 174.700 -0.674 0.000 1.122 186 T CA 1.495 63.408 62.100 -0.311 0.000 1.095 186 T CB 0.474 69.258 68.868 -0.140 0.000 0.930 186 T HN 0.815 nan 8.240 nan 0.000 0.508 187 G N 0.186 108.673 108.800 -0.521 0.000 2.201 187 G HA2 -0.158 3.803 3.960 0.001 0.000 0.212 187 G HA3 -0.158 3.803 3.960 0.001 0.000 0.212 187 G C 0.170 175.115 174.900 0.075 0.000 0.994 187 G CA -0.004 44.971 45.100 -0.209 0.000 0.644 187 G HN 0.739 nan 8.290 nan 0.000 0.508 188 T N 2.252 116.786 114.554 -0.033 0.000 2.815 188 T HA 0.544 4.895 4.350 0.001 0.000 0.289 188 T C 0.217 174.914 174.700 -0.005 0.000 1.000 188 T CA 0.093 62.191 62.100 -0.002 0.000 0.958 188 T CB 1.661 70.510 68.868 -0.032 0.000 0.944 188 T HN 0.245 nan 8.240 nan 0.000 0.442 189 T N 3.326 117.880 114.554 0.001 0.000 2.905 189 T HA 0.125 4.476 4.350 0.001 0.000 0.299 189 T C 0.555 175.209 174.700 -0.075 0.000 1.024 189 T CA -0.033 62.037 62.100 -0.051 0.000 1.151 189 T CB 0.088 68.926 68.868 -0.049 0.000 0.987 189 T HN 0.331 nan 8.240 nan 0.000 0.535 190 V N 5.284 125.122 119.914 -0.128 0.000 2.432 190 V HA 0.166 4.287 4.120 0.001 0.000 0.275 190 V C 0.989 176.985 176.094 -0.164 0.000 1.043 190 V CA -0.267 61.978 62.300 -0.091 0.000 0.925 190 V CB 1.451 33.283 31.823 0.016 0.000 0.985 190 V HN 0.835 nan 8.190 nan 0.000 0.466 191 V N 3.006 122.887 119.914 -0.055 0.000 3.635 191 V HA 0.276 4.397 4.120 0.001 0.000 0.266 191 V C 0.435 176.563 176.094 0.056 0.000 1.316 191 V CA 0.373 62.656 62.300 -0.029 0.000 1.060 191 V CB 0.148 31.959 31.823 -0.020 0.000 0.820 191 V HN 0.898 nan 8.190 nan 0.000 0.447 192 N N 0.712 119.456 118.700 0.073 0.000 2.664 192 N HA 0.547 5.288 4.740 0.001 0.000 0.268 192 N C -0.637 174.931 175.510 0.097 0.000 1.222 192 N CA 0.631 53.738 53.050 0.094 0.000 0.805 192 N CB 1.370 39.889 38.487 0.053 0.000 1.399 192 N HN 0.349 nan 8.380 nan 0.000 0.547 193 G N 0.504 109.397 108.800 0.155 0.000 2.377 193 G HA2 0.715 4.676 3.960 0.001 0.000 0.297 193 G HA3 0.715 4.676 3.960 0.001 0.000 0.297 193 G C -1.974 173.038 174.900 0.186 0.000 1.547 193 G CA -0.095 45.081 45.100 0.127 0.000 0.833 193 G HN 0.649 nan 8.290 nan 0.000 0.583 194 A N 0.512 123.369 122.820 0.060 0.000 2.556 194 A HA 0.953 5.273 4.320 0.001 0.000 0.294 194 A C -0.707 176.798 177.584 -0.132 0.000 1.091 194 A CA -0.679 51.372 52.037 0.023 0.000 0.704 194 A CB 2.438 21.396 19.000 -0.070 0.000 1.300 194 A HN 1.427 nan 8.150 nan 0.000 0.406 195 N N -1.153 117.467 118.700 -0.133 0.000 3.533 195 N HA 0.318 5.059 4.740 0.001 0.000 0.229 195 N C -1.650 173.765 175.510 -0.157 0.000 1.418 195 N CA -0.681 52.208 53.050 -0.269 0.000 0.880 195 N CB 0.302 38.457 38.487 -0.553 0.000 1.415 195 N HN 0.416 nan 8.380 nan 0.000 0.491 196 F N 1.695 121.600 119.950 -0.075 0.000 2.578 196 F HA 0.215 4.743 4.527 0.001 0.000 0.376 196 F C 1.095 176.998 175.800 0.170 0.000 1.085 196 F CA 0.345 58.338 58.000 -0.012 0.000 1.260 196 F CB 0.091 39.090 39.000 -0.003 0.000 1.095 196 F HN 0.256 nan 8.300 nan 0.000 0.573 197 F N 1.925 122.139 119.950 0.440 0.000 2.532 197 F HA 0.040 4.568 4.527 0.001 0.000 0.323 197 F C 0.873 176.786 175.800 0.188 0.000 1.234 197 F CA -0.247 57.911 58.000 0.263 0.000 1.323 197 F CB 0.331 39.345 39.000 0.024 0.000 1.183 197 F HN 0.336 nan 8.300 nan 0.000 0.589 198 Q N 2.371 122.338 119.800 0.278 0.000 2.241 198 Q HA 0.517 4.858 4.340 0.001 0.000 0.254 198 Q C -0.743 175.240 176.000 -0.029 0.000 0.917 198 Q CA -0.556 55.304 55.803 0.095 0.000 0.919 198 Q CB 2.133 30.900 28.738 0.049 0.000 1.237 198 Q HN 0.493 nan 8.270 nan 0.000 0.434 199 I N 0.086 120.653 120.570 -0.005 0.000 2.582 199 I HA 0.368 4.539 4.170 0.001 0.000 0.292 199 I C -0.220 175.880 176.117 -0.030 0.000 1.066 199 I CA -1.263 60.008 61.300 -0.048 0.000 1.053 199 I CB 1.825 39.816 38.000 -0.014 0.000 1.241 199 I HN 0.433 nan 8.210 nan 0.000 0.421 200 N N 6.371 125.044 118.700 -0.044 0.000 2.549 200 N HA 0.180 4.921 4.740 0.001 0.000 0.267 200 N C -0.731 174.765 175.510 -0.023 0.000 1.182 200 N CA -0.187 52.851 53.050 -0.019 0.000 1.019 200 N CB 0.687 39.163 38.487 -0.018 0.000 1.380 200 N HN 0.777 nan 8.380 nan 0.000 0.505 201 R N 1.366 121.864 120.500 -0.003 0.000 2.725 201 R HA 0.364 4.704 4.340 0.001 0.000 0.277 201 R C -0.273 176.039 176.300 0.020 0.000 0.987 201 R CA -0.745 55.353 56.100 -0.004 0.000 0.901 201 R CB 2.155 32.454 30.300 -0.002 0.000 1.207 201 R HN 0.401 nan 8.270 nan 0.000 0.463 202 R N 0.998 121.502 120.500 0.006 0.000 2.649 202 R HA 0.236 4.577 4.340 0.001 0.000 0.270 202 R C 1.024 177.345 176.300 0.034 0.000 1.105 202 R CA 0.321 56.446 56.100 0.042 0.000 1.193 202 R CB 0.531 30.835 30.300 0.008 0.000 1.120 202 R HN 0.779 nan 8.270 nan 0.000 0.561 203 A N 1.466 124.313 122.820 0.044 0.000 1.908 203 A HA -0.246 4.075 4.320 0.001 0.000 0.218 203 A C 1.543 179.134 177.584 0.011 0.000 1.181 203 A CA 2.189 54.238 52.037 0.019 0.000 0.627 203 A CB -0.660 18.350 19.000 0.017 0.000 0.818 203 A HN 0.858 nan 8.150 nan 0.000 0.445 204 D N -2.435 117.975 120.400 0.016 0.000 2.269 204 D HA 0.242 4.882 4.640 0.001 0.000 0.208 204 D C 1.263 177.570 176.300 0.011 0.000 0.963 204 D CA 1.387 55.395 54.000 0.012 0.000 0.864 204 D CB -0.477 40.333 40.800 0.015 0.000 0.936 204 D HN 0.923 nan 8.370 nan 0.000 0.505 205 G N -1.379 107.427 108.800 0.010 0.000 2.205 205 G HA2 -0.185 3.775 3.960 0.001 0.000 0.180 205 G HA3 -0.185 3.775 3.960 0.001 0.000 0.180 205 G C 0.147 175.057 174.900 0.017 0.000 1.004 205 G CA 0.009 45.117 45.100 0.012 0.000 0.670 205 G HN 0.374 nan 8.290 nan 0.000 0.496 206 T N 2.938 117.497 114.554 0.008 0.000 2.752 206 T HA 0.464 4.815 4.350 0.001 0.000 0.295 206 T C 0.994 175.685 174.700 -0.016 0.000 0.923 206 T CA -0.068 62.032 62.100 0.001 0.000 1.112 206 T CB 0.563 69.426 68.868 -0.008 0.000 0.884 206 T HN 0.757 nan 8.240 nan 0.000 0.525 207 R N 2.125 122.621 120.500 -0.006 0.000 2.587 207 R HA 0.016 4.356 4.340 0.001 0.000 0.268 207 R C 0.337 176.601 176.300 -0.059 0.000 0.978 207 R CA -0.009 56.078 56.100 -0.021 0.000 1.097 207 R CB 0.030 30.326 30.300 -0.007 0.000 0.917 207 R HN 0.371 nan 8.270 nan 0.000 0.414 208 S N 1.847 117.506 115.700 -0.068 0.000 2.849 208 S HA 0.039 4.509 4.470 0.001 0.000 0.244 208 S C 0.225 174.773 174.600 -0.087 0.000 1.297 208 S CA -0.031 58.103 58.200 -0.110 0.000 1.241 208 S CB -0.499 62.638 63.200 -0.105 0.000 0.958 208 S HN 0.735 nan 8.310 nan 0.000 0.489 209 S N 1.171 116.826 115.700 -0.075 0.000 2.589 209 S HA 0.012 4.483 4.470 0.001 0.000 0.256 209 S C 1.672 176.259 174.600 -0.022 0.000 1.383 209 S CA 0.195 58.370 58.200 -0.042 0.000 0.983 209 S CB 0.382 63.556 63.200 -0.043 0.000 0.908 209 S HN 0.573 nan 8.310 nan 0.000 0.572 210 S N 0.652 116.375 115.700 0.039 0.000 2.387 210 S HA -0.133 4.338 4.470 0.001 0.000 0.226 210 S C 2.062 176.737 174.600 0.125 0.000 1.026 210 S CA 0.983 59.279 58.200 0.160 0.000 0.972 210 S CB -1.380 61.867 63.200 0.079 0.000 0.814 210 S HN 1.062 nan 8.310 nan 0.000 0.477 211 S N 2.000 117.697 115.700 -0.005 0.000 2.355 211 S HA -0.035 4.435 4.470 0.001 0.000 0.222 211 S C 1.881 176.265 174.600 -0.360 0.000 1.031 211 S CA 1.006 59.174 58.200 -0.053 0.000 0.993 211 S CB -1.188 62.016 63.200 0.006 0.000 0.859 211 S HN 0.344 nan 8.310 nan 0.000 0.453 212 V N 2.190 121.769 119.914 -0.558 0.000 2.332 212 V HA -0.174 3.947 4.120 0.001 0.000 0.248 212 V C 2.844 178.692 176.094 -0.410 0.000 1.055 212 V CA 2.282 64.112 62.300 -0.784 0.000 1.038 212 V CB -1.034 30.536 31.823 -0.421 0.000 0.651 212 V HN 0.591 nan 8.190 nan 0.000 0.450 213 S N -2.148 113.397 115.700 -0.259 0.000 2.388 213 S HA -0.014 4.456 4.470 0.001 0.000 0.223 213 S C 1.737 176.167 174.600 -0.285 0.000 1.034 213 S CA 1.078 59.102 58.200 -0.293 0.000 0.963 213 S CB -0.166 62.838 63.200 -0.326 0.000 0.827 213 S HN 0.649 nan 8.310 nan 0.000 0.481 214 Y N -0.175 120.053 120.300 -0.119 0.000 2.558 214 Y HA 0.360 4.911 4.550 0.001 0.000 0.273 214 Y C 1.911 177.758 175.900 -0.090 0.000 1.100 214 Y CA 0.072 58.114 58.100 -0.097 0.000 1.276 214 Y CB 0.309 38.712 38.460 -0.095 0.000 1.196 214 Y HN 0.147 nan 8.280 nan 0.000 0.527 215 I N -1.059 119.585 120.570 0.123 0.000 3.172 215 I HA -0.106 4.064 4.170 0.001 0.000 0.278 215 I C 1.851 178.107 176.117 0.231 0.000 1.174 215 I CA 1.016 62.402 61.300 0.142 0.000 1.445 215 I CB -1.014 37.108 38.000 0.204 0.000 1.175 215 I HN 0.347 nan 8.210 nan 0.000 0.447 216 H N 1.551 120.643 119.070 0.037 0.000 2.319 216 H HA -0.125 4.432 4.556 0.001 0.000 0.297 216 H C -0.539 174.805 175.328 0.027 0.000 1.097 216 H CA 1.282 57.345 56.048 0.025 0.000 1.285 216 H CB -1.168 28.592 29.762 -0.002 0.000 1.368 216 H HN 0.265 nan 8.280 nan 0.000 0.495 217 P HA -0.067 nan 4.420 nan 0.000 0.234 217 P C 0.761 178.101 177.300 0.066 0.000 1.167 217 P CA 1.110 64.253 63.100 0.072 0.000 0.763 217 P CB -0.131 31.585 31.700 0.026 0.000 0.835 218 I N -7.132 113.487 120.570 0.083 0.000 3.966 218 I HA 0.177 4.348 4.170 0.001 0.000 0.324 218 I C 1.061 177.315 176.117 0.228 0.000 1.517 218 I CA -0.184 61.163 61.300 0.079 0.000 1.117 218 I CB 0.030 37.992 38.000 -0.064 0.000 1.190 218 I HN -0.377 nan 8.210 nan 0.000 0.466 219 V N 1.542 121.592 119.914 0.227 0.000 2.295 219 V HA -0.140 3.980 4.120 0.001 0.000 0.246 219 V C 1.950 178.181 176.094 0.228 0.000 1.049 219 V CA 1.886 64.349 62.300 0.272 0.000 1.024 219 V CB -0.452 31.455 31.823 0.140 0.000 0.648 219 V HN 0.501 nan 8.190 nan 0.000 0.447 220 E N 0.114 120.407 120.200 0.155 0.000 2.368 220 E HA 0.120 4.471 4.350 0.001 0.000 0.188 220 E C 0.579 177.253 176.600 0.124 0.000 1.061 220 E CA -0.032 56.438 56.400 0.117 0.000 0.933 220 E CB 0.103 29.850 29.700 0.078 0.000 1.091 220 E HN 0.640 nan 8.360 nan 0.000 0.458 221 Q N 0.558 120.465 119.800 0.179 0.000 2.260 221 Q HA 0.069 4.410 4.340 0.001 0.000 0.242 221 Q C 0.932 177.029 176.000 0.162 0.000 0.932 221 Q CA -0.127 55.773 55.803 0.162 0.000 0.891 221 Q CB 1.157 30.002 28.738 0.178 0.000 1.222 221 Q HN 0.061 nan 8.270 nan 0.000 0.453 222 E N 1.329 121.602 120.200 0.122 0.000 2.130 222 E HA -0.246 4.105 4.350 0.001 0.000 0.196 222 E C 0.747 177.427 176.600 0.133 0.000 0.998 222 E CA 1.732 58.196 56.400 0.105 0.000 0.806 222 E CB 0.192 29.939 29.700 0.078 0.000 0.738 222 E HN 0.653 nan 8.360 nan 0.000 0.459 223 N N -0.534 118.272 118.700 0.176 0.000 2.238 223 N HA -0.010 4.731 4.740 0.001 0.000 0.222 223 N C -0.844 174.859 175.510 0.322 0.000 1.133 223 N CA -0.172 53.004 53.050 0.209 0.000 0.854 223 N CB 0.192 38.787 38.487 0.180 0.000 1.041 223 N HN 0.030 nan 8.380 nan 0.000 0.510 224 F N 1.295 121.322 119.950 0.129 0.000 2.539 224 F HA 0.533 5.061 4.527 0.001 0.000 0.318 224 F C -1.216 174.655 175.800 0.119 0.000 1.135 224 F CA -0.605 57.466 58.000 0.118 0.000 0.915 224 F CB 1.707 40.755 39.000 0.081 0.000 1.176 224 F HN -0.121 nan 8.300 nan 0.000 0.440 225 T N 7.046 121.218 114.554 -0.636 0.000 2.786 225 T HA 0.371 4.722 4.350 0.001 0.000 0.283 225 T C -0.593 173.570 174.700 -0.895 0.000 0.992 225 T CA -0.558 61.176 62.100 -0.611 0.000 0.954 225 T CB 1.441 70.230 68.868 -0.131 0.000 0.934 225 T HN 0.669 nan 8.240 nan 0.000 0.440 226 L N 4.947 125.757 121.223 -0.688 0.000 2.302 226 L HA 0.395 4.736 4.340 0.001 0.000 0.285 226 L C -0.728 176.121 176.870 -0.035 0.000 1.090 226 L CA -0.606 54.051 54.840 -0.305 0.000 0.866 226 L CB 0.004 42.005 42.059 -0.096 0.000 1.244 226 L HN 0.679 nan 8.230 nan 0.000 0.435 227 L N 5.042 126.224 121.223 -0.068 0.000 2.397 227 L HA 0.197 4.538 4.340 0.001 0.000 0.263 227 L C 0.981 177.884 176.870 0.055 0.000 1.136 227 L CA -0.311 54.522 54.840 -0.013 0.000 1.019 227 L CB 0.553 42.575 42.059 -0.062 0.000 1.352 227 L HN 0.566 nan 8.230 nan 0.000 0.420 228 T N -2.244 112.396 114.554 0.142 0.000 2.816 228 T HA 0.479 4.830 4.350 0.001 0.000 0.282 228 T C 1.255 176.022 174.700 0.111 0.000 0.993 228 T CA 0.154 62.342 62.100 0.147 0.000 0.994 228 T CB 1.583 70.582 68.868 0.219 0.000 1.025 228 T HN 0.699 nan 8.240 nan 0.000 0.529 229 G N 0.235 109.095 108.800 0.100 0.000 2.168 229 G HA2 -0.182 3.779 3.960 0.001 0.000 0.257 229 G HA3 -0.182 3.779 3.960 0.001 0.000 0.257 229 G C -0.156 174.795 174.900 0.084 0.000 0.997 229 G CA 0.457 45.604 45.100 0.078 0.000 0.708 229 G HN 0.888 nan 8.290 nan 0.000 0.520 230 L N -0.712 120.567 121.223 0.094 0.000 2.362 230 L HA 0.664 5.005 4.340 0.001 0.000 0.275 230 L C 0.445 177.386 176.870 0.119 0.000 0.998 230 L CA -1.002 53.898 54.840 0.100 0.000 0.820 230 L CB 2.157 44.263 42.059 0.078 0.000 1.270 230 L HN 0.156 nan 8.230 nan 0.000 0.415 231 R N 2.697 123.275 120.500 0.130 0.000 2.337 231 R HA 0.658 4.999 4.340 0.001 0.000 0.319 231 R C -0.465 175.868 176.300 0.055 0.000 0.954 231 R CA -0.498 55.700 56.100 0.164 0.000 0.840 231 R CB 1.521 31.983 30.300 0.270 0.000 1.164 231 R HN 0.767 nan 8.270 nan 0.000 0.472 232 A N 4.090 126.928 122.820 0.031 0.000 2.520 232 A HA 0.063 4.384 4.320 0.001 0.000 0.245 232 A C 0.874 178.367 177.584 -0.153 0.000 1.072 232 A CA -0.160 51.842 52.037 -0.059 0.000 0.761 232 A CB 0.182 19.161 19.000 -0.035 0.000 1.004 232 A HN 1.036 nan 8.150 nan 0.000 0.499 233 R N 0.891 121.196 120.500 -0.324 0.000 2.373 233 R HA 0.300 4.640 4.340 0.001 0.000 0.221 233 R C 0.241 176.388 176.300 -0.254 0.000 0.893 233 R CA 0.411 56.191 56.100 -0.533 0.000 1.049 233 R CB 0.341 29.870 30.300 -1.285 0.000 1.119 233 R HN 0.730 nan 8.270 nan 0.000 0.535 234 Q N 0.734 120.435 119.800 -0.164 0.000 2.599 234 Q HA 0.251 4.592 4.340 0.001 0.000 0.248 234 Q C -1.971 173.987 176.000 -0.070 0.000 0.964 234 Q CA -0.552 55.201 55.803 -0.084 0.000 1.011 234 Q CB 1.384 30.074 28.738 -0.079 0.000 1.592 234 Q HN 0.207 nan 8.270 nan 0.000 0.443 235 L N 2.765 123.969 121.223 -0.031 0.000 2.326 235 L HA 0.698 5.039 4.340 0.001 0.000 0.278 235 L C -0.296 176.493 176.870 -0.135 0.000 1.092 235 L CA -0.699 54.071 54.840 -0.116 0.000 0.810 235 L CB 1.570 43.565 42.059 -0.106 0.000 1.153 235 L HN 0.473 nan 8.230 nan 0.000 0.439 236 V N 3.802 123.532 119.914 -0.307 0.000 2.555 236 V HA 0.579 4.700 4.120 0.001 0.000 0.302 236 V C -0.961 174.897 176.094 -0.394 0.000 1.038 236 V CA -0.352 61.837 62.300 -0.185 0.000 0.887 236 V CB 1.693 33.469 31.823 -0.079 0.000 0.991 236 V HN 0.477 nan 8.190 nan 0.000 0.434 237 F N 2.907 122.852 119.950 -0.008 0.000 2.563 237 F HA 0.513 5.040 4.527 0.001 0.000 0.316 237 F C 0.466 176.263 175.800 -0.005 0.000 1.076 237 F CA -0.878 57.119 58.000 -0.005 0.000 0.921 237 F CB 1.255 40.251 39.000 -0.007 0.000 1.209 237 F HN 0.453 nan 8.300 nan 0.000 0.462 238 D N 0.683 121.186 120.400 0.171 0.000 2.371 238 D HA 0.006 4.647 4.640 0.001 0.000 0.231 238 D C 1.001 177.360 176.300 0.098 0.000 1.283 238 D CA 0.809 54.874 54.000 0.107 0.000 0.884 238 D CB 0.591 41.447 40.800 0.094 0.000 1.235 238 D HN 0.647 nan 8.370 nan 0.000 0.503 239 A N 0.917 123.771 122.820 0.057 0.000 2.167 239 A HA -0.085 4.236 4.320 0.001 0.000 0.214 239 A C 1.214 178.817 177.584 0.032 0.000 1.151 239 A CA 0.892 52.951 52.037 0.038 0.000 0.735 239 A CB 0.103 19.118 19.000 0.024 0.000 0.802 239 A HN 0.432 nan 8.150 nan 0.000 0.467 240 D N -0.377 120.049 120.400 0.043 0.000 2.368 240 D HA 0.082 4.723 4.640 0.001 0.000 0.218 240 D C -0.067 176.262 176.300 0.049 0.000 1.112 240 D CA -0.043 53.979 54.000 0.036 0.000 0.834 240 D CB 0.197 41.017 40.800 0.034 0.000 0.953 240 D HN 0.218 nan 8.370 nan 0.000 0.505 241 R N 0.155 120.698 120.500 0.072 0.000 3.872 241 R HA -0.169 4.172 4.340 0.001 0.000 0.341 241 R C 0.273 176.697 176.300 0.208 0.000 1.172 241 R CA 0.288 56.433 56.100 0.076 0.000 0.901 241 R CB -2.598 27.694 30.300 -0.014 0.000 1.422 241 R HN 0.263 nan 8.270 nan 0.000 0.523 242 R N 0.700 121.327 120.500 0.212 0.000 2.294 242 R HA 0.287 4.628 4.340 0.001 0.000 0.319 242 R C -0.188 176.215 176.300 0.172 0.000 0.984 242 R CA -0.297 55.915 56.100 0.187 0.000 0.861 242 R CB 1.163 31.516 30.300 0.088 0.000 1.104 242 R HN 0.264 nan 8.270 nan 0.000 0.451 243 C N 4.711 124.057 119.300 0.078 0.000 2.619 243 C HA 0.117 4.578 4.460 0.001 0.000 0.389 243 C C 1.888 176.747 174.990 -0.219 0.000 1.314 243 C CA -0.082 58.721 59.018 -0.359 0.000 1.678 243 C CB -0.593 26.921 27.740 -0.377 0.000 2.398 243 C HN 0.946 nan 8.230 nan 0.000 0.582 244 T N 2.421 116.842 114.554 -0.222 0.000 3.037 244 T HA 0.490 4.841 4.350 0.001 0.000 0.251 244 T C 0.806 175.438 174.700 -0.113 0.000 1.079 244 T CA 0.579 62.611 62.100 -0.115 0.000 1.067 244 T CB 0.214 69.044 68.868 -0.064 0.000 0.948 244 T HN 1.304 nan 8.240 nan 0.000 0.496 245 G N 0.035 108.730 108.800 -0.175 0.000 2.323 245 G HA2 0.427 4.388 3.960 0.001 0.000 0.291 245 G HA3 0.427 4.388 3.960 0.001 0.000 0.291 245 G C -2.009 172.803 174.900 -0.147 0.000 1.278 245 G CA -0.134 44.894 45.100 -0.119 0.000 0.860 245 G HN 0.333 nan 8.290 nan 0.000 0.504 246 V N 0.076 119.940 119.914 -0.085 0.000 2.769 246 V HA 0.706 4.827 4.120 0.001 0.000 0.312 246 V C -1.169 174.891 176.094 -0.057 0.000 1.058 246 V CA -0.772 61.477 62.300 -0.084 0.000 0.952 246 V CB 2.021 33.807 31.823 -0.062 0.000 1.019 246 V HN 0.678 nan 8.190 nan 0.000 0.445 247 D N 4.561 124.917 120.400 -0.072 0.000 2.256 247 D HA 0.509 5.150 4.640 0.001 0.000 0.240 247 D C -0.245 176.001 176.300 -0.090 0.000 1.062 247 D CA 0.124 54.083 54.000 -0.069 0.000 0.832 247 D CB 1.586 42.329 40.800 -0.094 0.000 1.135 247 D HN 0.628 nan 8.370 nan 0.000 0.484 248 I N -1.497 119.047 120.570 -0.043 0.000 3.002 248 I HA 0.602 4.773 4.170 0.001 0.000 0.310 248 I C -0.790 175.317 176.117 -0.016 0.000 1.087 248 I CA -1.030 60.250 61.300 -0.033 0.000 1.017 248 I CB 2.369 40.389 38.000 0.033 0.000 1.226 248 I HN 0.031 nan 8.210 nan 0.000 0.443 249 V N 3.785 123.703 119.914 0.006 0.000 2.562 249 V HA 0.248 4.369 4.120 0.001 0.000 0.274 249 V C 0.128 176.300 176.094 0.131 0.000 1.075 249 V CA 0.113 62.425 62.300 0.019 0.000 1.204 249 V CB -0.856 30.931 31.823 -0.061 0.000 1.478 249 V HN 1.010 nan 8.190 nan 0.000 0.622 250 D N 1.214 121.736 120.400 0.203 0.000 3.292 250 D HA -0.217 4.424 4.640 0.001 0.000 0.175 250 D C 0.528 176.920 176.300 0.153 0.000 1.192 250 D CA 1.623 55.742 54.000 0.199 0.000 1.026 250 D CB -0.376 40.563 40.800 0.232 0.000 0.538 250 D HN 0.515 nan 8.370 nan 0.000 0.566 251 S N -0.327 115.458 115.700 0.143 0.000 2.456 251 S HA 0.637 5.108 4.470 0.001 0.000 0.316 251 S C -0.382 174.305 174.600 0.144 0.000 1.089 251 S CA -0.084 58.197 58.200 0.135 0.000 1.101 251 S CB 1.534 64.788 63.200 0.090 0.000 0.995 251 S HN 0.580 nan 8.310 nan 0.000 0.468 252 A N 3.577 126.485 122.820 0.148 0.000 2.354 252 A HA 0.542 4.863 4.320 0.001 0.000 0.281 252 A C -0.297 177.273 177.584 -0.024 0.000 1.174 252 A CA -0.310 51.777 52.037 0.083 0.000 0.828 252 A CB -0.368 18.720 19.000 0.147 0.000 1.099 252 A HN 0.718 nan 8.150 nan 0.000 0.516 253 F N 2.848 122.822 119.950 0.040 0.000 2.546 253 F HA 0.339 4.867 4.527 0.001 0.000 0.388 253 F C 1.305 177.155 175.800 0.083 0.000 1.051 253 F CA 1.980 60.007 58.000 0.045 0.000 1.130 253 F CB 0.328 39.338 39.000 0.017 0.000 1.044 253 F HN 0.741 nan 8.300 nan 0.000 0.553 254 G N 1.984 110.922 108.800 0.231 0.000 3.107 254 G HA2 0.241 4.202 3.960 0.001 0.000 0.233 254 G HA3 0.241 4.202 3.960 0.001 0.000 0.233 254 G C -0.147 174.833 174.900 0.134 0.000 1.168 254 G CA -0.373 44.877 45.100 0.251 0.000 0.801 254 G HN 0.545 nan 8.290 nan 0.000 0.605 255 H N -0.441 118.617 119.070 -0.021 0.000 3.398 255 H HA 0.211 4.768 4.556 0.001 0.000 0.260 255 H C -0.145 174.967 175.328 -0.361 0.000 1.189 255 H CA 0.802 56.756 56.048 -0.157 0.000 1.145 255 H CB 0.902 30.584 29.762 -0.135 0.000 1.599 255 H HN 0.529 nan 8.280 nan 0.000 0.615 256 T N 2.865 117.250 114.554 -0.281 0.000 1.190 256 T HA -0.184 4.167 4.350 0.001 0.000 0.698 256 T C -0.604 173.844 174.700 -0.420 0.000 0.975 256 T CA 0.600 62.529 62.100 -0.284 0.000 3.698 256 T CB -0.873 67.894 68.868 -0.169 0.000 2.099 256 T HN 0.440 nan 8.240 nan 0.000 0.381 257 H N 1.965 121.049 119.070 0.023 0.000 2.569 257 H HA 0.591 5.147 4.556 0.001 0.000 0.357 257 H C 0.550 175.880 175.328 0.002 0.000 1.153 257 H CA -0.946 55.115 56.048 0.021 0.000 1.193 257 H CB 1.534 31.312 29.762 0.028 0.000 1.602 257 H HN 0.501 nan 8.280 nan 0.000 0.523 258 R N 2.302 122.873 120.500 0.118 0.000 2.265 258 R HA 0.417 4.758 4.340 0.001 0.000 0.319 258 R C -0.841 175.502 176.300 0.072 0.000 1.006 258 R CA -0.520 55.616 56.100 0.061 0.000 0.880 258 R CB 0.481 30.797 30.300 0.028 0.000 1.077 258 R HN 0.452 nan 8.270 nan 0.000 0.454 259 L N 2.690 123.953 121.223 0.066 0.000 2.334 259 L HA 0.558 4.899 4.340 0.001 0.000 0.272 259 L C -0.157 176.755 176.870 0.069 0.000 1.020 259 L CA -0.928 53.974 54.840 0.103 0.000 0.812 259 L CB 2.151 44.290 42.059 0.134 0.000 1.264 259 L HN 0.615 nan 8.230 nan 0.000 0.439 260 T N 1.111 115.721 114.554 0.093 0.000 2.841 260 T HA 0.653 5.004 4.350 0.001 0.000 0.283 260 T C -0.501 174.242 174.700 0.072 0.000 1.000 260 T CA -0.518 61.607 62.100 0.041 0.000 0.977 260 T CB 1.899 70.769 68.868 0.003 0.000 0.979 260 T HN 0.678 nan 8.240 nan 0.000 0.446 261 A N 2.688 125.519 122.820 0.019 0.000 2.271 261 A HA 0.509 4.830 4.320 0.001 0.000 0.317 261 A C 1.133 178.684 177.584 -0.054 0.000 1.245 261 A CA -0.661 51.377 52.037 0.001 0.000 0.857 261 A CB 0.696 19.689 19.000 -0.011 0.000 1.175 261 A HN 0.914 nan 8.150 nan 0.000 0.512 262 R N 1.498 121.946 120.500 -0.087 0.000 2.073 262 R HA -0.072 4.269 4.340 0.001 0.000 0.229 262 R C 1.223 177.440 176.300 -0.138 0.000 1.120 262 R CA 1.548 57.585 56.100 -0.105 0.000 0.967 262 R CB 0.076 30.310 30.300 -0.111 0.000 0.862 262 R HN 0.768 nan 8.270 nan 0.000 0.436 263 N N -0.237 118.307 118.700 -0.259 0.000 2.418 263 N HA 0.059 4.800 4.740 0.001 0.000 0.199 263 N C -0.064 175.369 175.510 -0.129 0.000 1.044 263 N CA 0.738 53.619 53.050 -0.282 0.000 0.943 263 N CB 0.703 38.791 38.487 -0.665 0.000 1.154 263 N HN 0.098 nan 8.380 nan 0.000 0.467 264 E N -0.019 120.109 120.200 -0.121 0.000 2.392 264 E HA 0.387 4.738 4.350 0.001 0.000 0.279 264 E C -1.508 175.189 176.600 0.162 0.000 0.964 264 E CA -0.490 55.989 56.400 0.131 0.000 0.777 264 E CB 3.242 33.141 29.700 0.331 0.000 1.249 264 E HN -0.210 nan 8.360 nan 0.000 0.449 265 V N 1.923 121.893 119.914 0.093 0.000 2.459 265 V HA 0.371 4.491 4.120 0.001 0.000 0.295 265 V C -0.424 175.707 176.094 0.061 0.000 1.029 265 V CA -0.788 61.549 62.300 0.061 0.000 0.874 265 V CB 1.620 33.431 31.823 -0.019 0.000 0.985 265 V HN 0.395 nan 8.190 nan 0.000 0.438 266 V N 5.914 125.859 119.914 0.051 0.000 2.347 266 V HA 0.405 4.526 4.120 0.001 0.000 0.280 266 V C -0.025 176.072 176.094 0.005 0.000 1.021 266 V CA -0.518 61.796 62.300 0.024 0.000 0.847 266 V CB 1.537 33.364 31.823 0.007 0.000 0.990 266 V HN 0.654 nan 8.190 nan 0.000 0.444 267 L N 3.809 125.031 121.223 -0.002 0.000 2.319 267 L HA 0.338 4.679 4.340 0.001 0.000 0.280 267 L C 0.711 177.566 176.870 -0.025 0.000 1.099 267 L CA 0.289 55.120 54.840 -0.015 0.000 0.828 267 L CB 1.542 43.591 42.059 -0.018 0.000 1.150 267 L HN 0.760 nan 8.230 nan 0.000 0.442 268 S N -0.625 115.060 115.700 -0.025 0.000 2.952 268 S HA 0.007 4.478 4.470 0.001 0.000 0.251 268 S C 1.186 175.768 174.600 -0.030 0.000 1.021 268 S CA -0.122 58.060 58.200 -0.030 0.000 1.067 268 S CB 0.441 63.625 63.200 -0.027 0.000 1.002 268 S HN 0.839 nan 8.310 nan 0.000 0.574 269 T N -0.146 114.383 114.554 -0.042 0.000 3.160 269 T HA 0.459 4.810 4.350 0.001 0.000 0.257 269 T C 1.188 175.839 174.700 -0.081 0.000 1.147 269 T CA 0.571 62.640 62.100 -0.051 0.000 1.064 269 T CB -0.145 68.679 68.868 -0.073 0.000 0.949 269 T HN 0.689 nan 8.240 nan 0.000 0.526 270 G N 0.401 109.154 108.800 -0.079 0.000 2.466 270 G HA2 0.232 4.193 3.960 0.001 0.000 0.316 270 G HA3 0.232 4.193 3.960 0.001 0.000 0.316 270 G C 0.550 175.376 174.900 -0.124 0.000 1.270 270 G CA -0.352 44.696 45.100 -0.086 0.000 0.982 270 G HN 0.816 nan 8.290 nan 0.000 0.506 271 A N -0.978 121.759 122.820 -0.138 0.000 2.147 271 A HA 0.580 4.901 4.320 0.001 0.000 0.211 271 A C 2.253 179.706 177.584 -0.218 0.000 1.160 271 A CA 1.622 53.554 52.037 -0.175 0.000 0.781 271 A CB -0.148 18.742 19.000 -0.183 0.000 0.842 271 A HN 0.722 nan 8.150 nan 0.000 0.475 272 I N -1.251 119.169 120.570 -0.250 0.000 2.556 272 I HA -0.034 4.137 4.170 0.001 0.000 0.251 272 I C 1.546 177.449 176.117 -0.356 0.000 1.105 272 I CA 0.783 61.872 61.300 -0.351 0.000 1.436 272 I CB -0.027 37.689 38.000 -0.473 0.000 1.139 272 I HN 0.134 nan 8.210 nan 0.000 0.438 273 D N 0.291 120.493 120.400 -0.330 0.000 2.289 273 D HA -0.058 4.583 4.640 0.001 0.000 0.207 273 D C 2.047 178.229 176.300 -0.196 0.000 0.966 273 D CA 0.995 54.812 54.000 -0.305 0.000 0.868 273 D CB 0.301 40.878 40.800 -0.371 0.000 0.943 273 D HN 0.195 nan 8.370 nan 0.000 0.514 274 T N 1.507 115.964 114.554 -0.163 0.000 2.674 274 T HA -0.081 4.270 4.350 0.001 0.000 0.265 274 T C -0.982 173.654 174.700 -0.107 0.000 1.039 274 T CA 1.263 63.293 62.100 -0.117 0.000 1.150 274 T CB -0.929 67.876 68.868 -0.104 0.000 0.864 274 T HN 0.229 nan 8.240 nan 0.000 0.427 275 P HA -0.056 nan 4.420 nan 0.000 0.220 275 P C 1.347 178.592 177.300 -0.091 0.000 1.148 275 P CA 1.170 64.205 63.100 -0.108 0.000 0.803 275 P CB 0.007 31.626 31.700 -0.134 0.000 0.782 276 K N 0.316 120.644 120.400 -0.120 0.000 2.002 276 K HA -0.116 4.205 4.320 0.001 0.000 0.209 276 K C 2.299 178.863 176.600 -0.059 0.000 1.048 276 K CA 1.115 57.343 56.287 -0.098 0.000 0.930 276 K CB -0.735 31.679 32.500 -0.142 0.000 0.714 276 K HN 0.036 nan 8.250 nan 0.000 0.438 277 L N 1.090 122.275 121.223 -0.063 0.000 2.013 277 L HA -0.239 4.101 4.340 0.001 0.000 0.212 277 L C 2.409 179.276 176.870 -0.005 0.000 1.073 277 L CA 1.297 56.117 54.840 -0.033 0.000 0.753 277 L CB -0.324 41.711 42.059 -0.041 0.000 0.890 277 L HN 0.294 nan 8.230 nan 0.000 0.432 278 L N -1.437 119.782 121.223 -0.008 0.000 2.083 278 L HA -0.260 4.080 4.340 0.001 0.000 0.209 278 L C 2.594 179.469 176.870 0.009 0.000 1.083 278 L CA 1.277 56.127 54.840 0.017 0.000 0.752 278 L CB -0.440 41.619 42.059 -0.000 0.000 0.899 278 L HN 0.324 nan 8.230 nan 0.000 0.433 279 M N -0.536 119.061 119.600 -0.005 0.000 2.099 279 M HA -0.202 4.279 4.480 0.001 0.000 0.262 279 M C 2.342 178.638 176.300 -0.007 0.000 1.067 279 M CA 1.739 57.040 55.300 0.002 0.000 1.124 279 M CB -0.428 32.189 32.600 0.027 0.000 1.353 279 M HN 0.202 nan 8.290 nan 0.000 0.410 280 L N -0.649 120.569 121.223 -0.008 0.000 2.189 280 L HA -0.223 4.118 4.340 0.001 0.000 0.214 280 L C 2.142 179.020 176.870 0.013 0.000 1.097 280 L CA 0.894 55.733 54.840 -0.002 0.000 0.764 280 L CB -0.441 41.622 42.059 0.007 0.000 0.900 280 L HN 0.252 nan 8.230 nan 0.000 0.436 281 S N -1.364 114.356 115.700 0.032 0.000 2.556 281 S HA 0.217 4.687 4.470 0.001 0.000 0.216 281 S C 1.305 175.932 174.600 0.045 0.000 0.970 281 S CA 0.645 58.895 58.200 0.084 0.000 0.912 281 S CB 0.742 64.044 63.200 0.169 0.000 0.790 281 S HN 0.653 nan 8.310 nan 0.000 0.504 282 G N 1.451 110.247 108.800 -0.007 0.000 2.179 282 G HA2 -0.171 3.790 3.960 0.001 0.000 0.220 282 G HA3 -0.171 3.790 3.960 0.001 0.000 0.220 282 G C 0.022 174.873 174.900 -0.082 0.000 0.990 282 G CA -0.330 44.738 45.100 -0.054 0.000 0.646 282 G HN 0.476 nan 8.290 nan 0.000 0.517 283 I N 1.333 121.867 120.570 -0.060 0.000 2.359 283 I HA 0.634 4.805 4.170 0.001 0.000 0.284 283 I C 0.791 176.888 176.117 -0.034 0.000 1.018 283 I CA 0.027 61.288 61.300 -0.065 0.000 1.173 283 I CB 0.705 38.668 38.000 -0.061 0.000 1.326 283 I HN 0.522 nan 8.210 nan 0.000 0.462 284 G N 7.003 115.785 108.800 -0.031 0.000 2.333 284 G HA2 0.174 4.135 3.960 0.001 0.000 0.288 284 G HA3 0.174 4.135 3.960 0.001 0.000 0.288 284 G C -3.347 171.551 174.900 -0.002 0.000 1.286 284 G CA -0.782 44.310 45.100 -0.014 0.000 0.865 284 G HN 0.208 nan 8.290 nan 0.000 0.506 285 P HA 0.347 nan 4.420 nan 0.000 0.260 285 P C 1.067 178.390 177.300 0.039 0.000 1.207 285 P CA 0.808 63.917 63.100 0.016 0.000 0.780 285 P CB 0.960 32.665 31.700 0.008 0.000 0.789 286 A N 5.885 128.708 122.820 0.006 0.000 1.882 286 A HA -0.338 3.983 4.320 0.001 0.000 0.220 286 A C 2.230 179.816 177.584 0.003 0.000 1.253 286 A CA 2.901 54.936 52.037 -0.004 0.000 0.664 286 A CB -1.739 17.252 19.000 -0.015 0.000 0.838 286 A HN 0.492 nan 8.150 nan 0.000 0.460 287 A N -1.625 121.200 122.820 0.009 0.000 1.917 287 A HA -0.267 4.054 4.320 0.001 0.000 0.219 287 A C 2.068 179.669 177.584 0.029 0.000 1.182 287 A CA 2.568 54.609 52.037 0.006 0.000 0.633 287 A CB -0.974 18.028 19.000 0.004 0.000 0.819 287 A HN 0.882 nan 8.150 nan 0.000 0.448 288 H N 0.020 119.069 119.070 -0.034 0.000 2.389 288 H HA 0.017 4.574 4.556 0.001 0.000 0.299 288 H C 1.710 177.061 175.328 0.037 0.000 1.081 288 H CA 1.844 57.887 56.048 -0.009 0.000 1.345 288 H CB -0.231 29.537 29.762 0.011 0.000 1.393 288 H HN 0.379 nan 8.280 nan 0.000 0.520 289 L N -0.536 120.646 121.223 -0.067 0.000 2.093 289 L HA -0.057 4.283 4.340 0.001 0.000 0.208 289 L C 2.808 179.627 176.870 -0.086 0.000 1.085 289 L CA 0.956 55.737 54.840 -0.098 0.000 0.755 289 L CB -0.923 41.111 42.059 -0.042 0.000 0.904 289 L HN 0.389 nan 8.230 nan 0.000 0.435 290 A N 0.737 123.514 122.820 -0.073 0.000 1.877 290 A HA -0.285 4.035 4.320 0.001 0.000 0.216 290 A C 2.237 179.753 177.584 -0.114 0.000 1.186 290 A CA 1.924 53.918 52.037 -0.072 0.000 0.620 290 A CB -0.682 18.286 19.000 -0.054 0.000 0.822 290 A HN 0.508 nan 8.150 nan 0.000 0.443 291 E N -0.841 119.254 120.200 -0.176 0.000 2.187 291 E HA -0.264 4.087 4.350 0.001 0.000 0.199 291 E C 0.904 177.218 176.600 -0.477 0.000 1.004 291 E CA 1.615 57.827 56.400 -0.314 0.000 0.813 291 E CB -0.187 29.302 29.700 -0.352 0.000 0.736 291 E HN 0.759 nan 8.360 nan 0.000 0.468 292 H N -1.494 117.484 119.070 -0.152 0.000 2.487 292 H HA 0.229 4.786 4.556 0.001 0.000 0.290 292 H C 0.913 176.186 175.328 -0.092 0.000 1.081 292 H CA 0.449 56.416 56.048 -0.135 0.000 1.116 292 H CB 0.843 30.483 29.762 -0.202 0.000 1.560 292 H HN 0.346 nan 8.280 nan 0.000 0.548 293 G N 1.797 110.589 108.800 -0.014 0.000 2.258 293 G HA2 -0.299 3.662 3.960 0.001 0.000 0.274 293 G HA3 -0.299 3.662 3.960 0.001 0.000 0.274 293 G C 0.265 175.161 174.900 -0.007 0.000 1.021 293 G CA 0.255 45.349 45.100 -0.011 0.000 0.798 293 G HN 0.400 nan 8.290 nan 0.000 0.507 294 I N 0.078 120.641 120.570 -0.012 0.000 2.396 294 I HA 0.257 4.427 4.170 0.001 0.000 0.292 294 I C 0.811 176.914 176.117 -0.024 0.000 0.999 294 I CA -0.616 60.675 61.300 -0.016 0.000 1.310 294 I CB 1.412 39.399 38.000 -0.022 0.000 1.404 294 I HN 0.192 nan 8.210 nan 0.000 0.496 295 E N 5.214 125.402 120.200 -0.021 0.000 2.257 295 E HA 0.159 4.510 4.350 0.001 0.000 0.278 295 E C -0.941 175.636 176.600 -0.038 0.000 1.049 295 E CA -0.560 55.824 56.400 -0.026 0.000 0.876 295 E CB 0.928 30.616 29.700 -0.021 0.000 1.035 295 E HN 0.345 nan 8.360 nan 0.000 0.419 296 V N 7.177 127.066 119.914 -0.042 0.000 2.421 296 V HA -0.071 4.049 4.120 0.001 0.000 0.271 296 V C 1.107 177.158 176.094 -0.072 0.000 1.031 296 V CA 0.067 62.335 62.300 -0.053 0.000 1.032 296 V CB 0.465 32.261 31.823 -0.045 0.000 1.009 296 V HN 0.776 nan 8.190 nan 0.000 0.477 297 L N 6.651 127.811 121.223 -0.105 0.000 2.013 297 L HA 0.195 4.536 4.340 0.001 0.000 0.204 297 L C 0.793 177.576 176.870 -0.145 0.000 1.081 297 L CA 1.814 56.560 54.840 -0.156 0.000 0.751 297 L CB 0.338 42.235 42.059 -0.270 0.000 0.901 297 L HN 0.433 nan 8.230 nan 0.000 0.440 298 V N 1.085 120.911 119.914 -0.147 0.000 2.350 298 V HA 0.239 4.360 4.120 0.001 0.000 0.285 298 V C -0.945 175.103 176.094 -0.076 0.000 1.014 298 V CA -0.947 61.286 62.300 -0.110 0.000 0.831 298 V CB 1.018 32.767 31.823 -0.122 0.000 1.000 298 V HN 0.223 nan 8.190 nan 0.000 0.433 299 D N 3.478 123.843 120.400 -0.057 0.000 2.380 299 D HA -0.008 4.633 4.640 0.001 0.000 0.270 299 D C 0.249 176.526 176.300 -0.038 0.000 1.363 299 D CA 0.720 54.695 54.000 -0.041 0.000 1.057 299 D CB 0.512 41.292 40.800 -0.034 0.000 1.096 299 D HN 0.476 nan 8.370 nan 0.000 0.524 300 S N 4.661 120.338 115.700 -0.038 0.000 2.475 300 S HA 0.287 4.758 4.470 0.001 0.000 0.249 300 S C -1.647 172.931 174.600 -0.036 0.000 1.298 300 S CA -1.428 56.750 58.200 -0.036 0.000 1.125 300 S CB 1.056 64.231 63.200 -0.041 0.000 1.054 300 S HN 0.354 nan 8.310 nan 0.000 0.484 301 P HA 0.023 nan 4.420 nan 0.000 0.228 301 P C 1.284 178.541 177.300 -0.071 0.000 1.151 301 P CA 0.616 63.689 63.100 -0.045 0.000 0.770 301 P CB -0.047 31.634 31.700 -0.033 0.000 0.786 302 G N 0.013 108.785 108.800 -0.047 0.000 2.623 302 G HA2 0.003 3.964 3.960 0.001 0.000 0.214 302 G HA3 0.003 3.964 3.960 0.001 0.000 0.214 302 G C 0.503 175.329 174.900 -0.124 0.000 1.138 302 G CA -0.059 45.010 45.100 -0.052 0.000 0.794 302 G HN 0.152 nan 8.290 nan 0.000 0.535 303 V N 1.407 121.263 119.914 -0.097 0.000 2.493 303 V HA 0.389 4.510 4.120 0.001 0.000 0.292 303 V C 1.639 177.644 176.094 -0.148 0.000 1.016 303 V CA 1.444 63.683 62.300 -0.102 0.000 1.097 303 V CB 0.294 32.077 31.823 -0.067 0.000 0.947 303 V HN 0.748 nan 8.190 nan 0.000 0.479 304 G N 3.615 112.313 108.800 -0.170 0.000 2.155 304 G HA2 -0.193 3.768 3.960 0.001 0.000 0.257 304 G HA3 -0.193 3.768 3.960 0.001 0.000 0.257 304 G C 0.153 174.891 174.900 -0.270 0.000 0.983 304 G CA 0.299 45.276 45.100 -0.205 0.000 0.676 304 G HN 0.640 nan 8.290 nan 0.000 0.528 305 E N -0.907 119.075 120.200 -0.365 0.000 2.302 305 E HA 0.513 4.864 4.350 0.001 0.000 0.255 305 E C 0.904 177.180 176.600 -0.541 0.000 1.099 305 E CA -0.468 55.590 56.400 -0.570 0.000 0.929 305 E CB 0.198 29.371 29.700 -0.878 0.000 1.203 305 E HN 0.607 nan 8.360 nan 0.000 0.459 306 H N -1.549 117.427 119.070 -0.157 0.000 2.899 306 H HA -0.196 4.360 4.556 0.001 0.000 0.282 306 H C 0.084 175.293 175.328 -0.199 0.000 1.198 306 H CA -0.006 55.938 56.048 -0.173 0.000 1.140 306 H CB -1.781 27.867 29.762 -0.190 0.000 1.317 306 H HN 0.085 nan 8.280 nan 0.000 0.375 307 L N 1.899 123.033 121.223 -0.149 0.000 2.534 307 L HA 0.135 4.476 4.340 0.001 0.000 0.271 307 L C 0.284 177.049 176.870 -0.175 0.000 1.178 307 L CA 0.792 55.519 54.840 -0.187 0.000 0.907 307 L CB 0.531 42.458 42.059 -0.220 0.000 1.164 307 L HN 0.313 nan 8.230 nan 0.000 0.482 308 Q N 3.504 123.189 119.800 -0.192 0.000 2.413 308 Q HA 0.613 4.954 4.340 0.001 0.000 0.276 308 Q C -1.387 174.533 176.000 -0.133 0.000 1.099 308 Q CA -0.860 54.852 55.803 -0.152 0.000 0.814 308 Q CB 2.479 31.113 28.738 -0.173 0.000 1.379 308 Q HN 0.688 nan 8.270 nan 0.000 0.436 309 D N -0.736 119.681 120.400 0.027 0.000 2.639 309 D HA 0.235 4.875 4.640 0.001 0.000 0.271 309 D C -1.682 174.693 176.300 0.124 0.000 1.254 309 D CA -0.554 53.518 54.000 0.120 0.000 0.810 309 D CB 1.319 42.257 40.800 0.230 0.000 1.351 309 D HN 0.526 nan 8.370 nan 0.000 0.427 310 H N 0.990 120.199 119.070 0.231 0.000 2.685 310 H HA 0.385 4.942 4.556 0.001 0.000 0.286 310 H C -1.785 173.542 175.328 -0.001 0.000 1.102 310 H CA -1.570 54.522 56.048 0.072 0.000 1.254 310 H CB 1.153 30.930 29.762 0.024 0.000 1.397 310 H HN 0.014 nan 8.280 nan 0.000 0.473 311 P HA 0.059 nan 4.420 nan 0.000 0.274 311 P C -0.371 176.923 177.300 -0.011 0.000 1.231 311 P CA -0.298 62.714 63.100 -0.146 0.000 0.790 311 P CB 1.735 33.177 31.700 -0.430 0.000 0.951 312 E N 0.345 120.545 120.200 -0.000 0.000 2.293 312 E HA 0.600 4.950 4.350 0.001 0.000 0.270 312 E C -0.698 175.974 176.600 0.119 0.000 0.879 312 E CA -0.915 55.522 56.400 0.061 0.000 0.756 312 E CB 1.617 31.317 29.700 -0.000 0.000 1.208 312 E HN 0.575 nan 8.360 nan 0.000 0.428 313 G N 1.030 109.910 108.800 0.134 0.000 2.932 313 G HA2 0.660 4.620 3.960 0.001 0.000 0.283 313 G HA3 0.660 4.620 3.960 0.001 0.000 0.283 313 G C -1.361 173.643 174.900 0.172 0.000 1.336 313 G CA -0.514 44.665 45.100 0.132 0.000 1.056 313 G HN 0.417 nan 8.290 nan 0.000 0.522 314 V N -0.824 119.207 119.914 0.195 0.000 2.851 314 V HA 0.605 4.726 4.120 0.001 0.000 0.307 314 V C -1.292 174.918 176.094 0.194 0.000 1.129 314 V CA -0.542 61.894 62.300 0.226 0.000 0.932 314 V CB 2.162 34.153 31.823 0.280 0.000 1.024 314 V HN 0.623 nan 8.190 nan 0.000 0.426 315 V N 6.513 126.493 119.914 0.110 0.000 2.444 315 V HA 0.569 4.689 4.120 0.001 0.000 0.294 315 V C -0.495 175.496 176.094 -0.172 0.000 1.022 315 V CA -0.540 61.708 62.300 -0.086 0.000 0.850 315 V CB 1.645 33.437 31.823 -0.053 0.000 0.992 315 V HN 0.949 nan 8.190 nan 0.000 0.426 316 Q N 4.032 123.618 119.800 -0.357 0.000 2.333 316 Q HA 0.710 5.051 4.340 0.001 0.000 0.267 316 Q C -1.553 174.085 176.000 -0.603 0.000 1.012 316 Q CA -0.326 55.289 55.803 -0.312 0.000 0.824 316 Q CB 2.688 31.350 28.738 -0.126 0.000 1.290 316 Q HN 0.646 nan 8.270 nan 0.000 0.449 317 F N 0.554 120.250 119.950 -0.423 0.000 2.508 317 F HA 0.285 4.813 4.527 0.001 0.000 0.325 317 F C 0.604 176.203 175.800 -0.335 0.000 1.090 317 F CA -1.000 56.735 58.000 -0.443 0.000 0.945 317 F CB 1.541 40.093 39.000 -0.747 0.000 1.156 317 F HN 0.333 nan 8.300 nan 0.000 0.463 318 E N 1.532 121.777 120.200 0.075 0.000 2.413 318 E HA 0.297 4.648 4.350 0.001 0.000 0.263 318 E C -0.283 176.476 176.600 0.264 0.000 1.015 318 E CA -0.166 56.315 56.400 0.133 0.000 0.916 318 E CB 1.020 30.797 29.700 0.128 0.000 0.947 318 E HN 0.637 nan 8.360 nan 0.000 0.440 319 A N 2.951 125.980 122.820 0.348 0.000 2.316 319 A HA 0.134 4.455 4.320 0.001 0.000 0.284 319 A C 0.780 178.546 177.584 0.304 0.000 1.115 319 A CA -0.263 52.074 52.037 0.499 0.000 0.812 319 A CB 0.625 19.953 19.000 0.547 0.000 1.064 319 A HN 0.602 nan 8.150 nan 0.000 0.489 320 K N -0.273 120.283 120.400 0.260 0.000 2.361 320 K HA 0.059 4.380 4.320 0.001 0.000 0.196 320 K C 0.235 176.823 176.600 -0.020 0.000 1.039 320 K CA 0.935 57.269 56.287 0.077 0.000 1.001 320 K CB 0.150 32.652 32.500 0.003 0.000 0.795 320 K HN 0.814 nan 8.250 nan 0.000 0.495 321 Q N -0.264 119.533 119.800 -0.006 0.000 2.456 321 Q HA 0.329 4.670 4.340 0.001 0.000 0.283 321 Q C -2.666 173.446 176.000 0.187 0.000 1.084 321 Q CA -2.651 53.125 55.803 -0.045 0.000 0.801 321 Q CB 1.794 30.298 28.738 -0.389 0.000 1.434 321 Q HN -0.166 nan 8.270 nan 0.000 0.419 322 P HA -0.142 nan 4.420 nan 0.000 0.257 322 P C -0.727 176.746 177.300 0.288 0.000 1.153 322 P CA 0.915 64.125 63.100 0.185 0.000 0.762 322 P CB 0.297 32.073 31.700 0.127 0.000 0.743 323 M N 2.797 122.556 119.600 0.264 0.000 2.227 323 M HA 0.114 4.594 4.480 0.001 0.000 0.316 323 M C 0.578 176.994 176.300 0.194 0.000 1.144 323 M CA -0.782 54.669 55.300 0.251 0.000 1.121 323 M CB 0.544 33.280 32.600 0.228 0.000 1.440 323 M HN 0.103 nan 8.290 nan 0.000 0.473 324 V N 0.615 120.622 119.914 0.156 0.000 2.843 324 V HA 0.134 4.255 4.120 0.001 0.000 0.305 324 V C 0.981 177.193 176.094 0.197 0.000 1.120 324 V CA 0.269 62.651 62.300 0.137 0.000 1.254 324 V CB -0.727 31.143 31.823 0.079 0.000 0.901 324 V HN 0.980 nan 8.190 nan 0.000 0.503 325 A N 2.685 125.603 122.820 0.164 0.000 2.115 325 A HA 0.257 4.577 4.320 0.001 0.000 0.211 325 A C 0.844 178.566 177.584 0.230 0.000 1.169 325 A CA 0.112 52.271 52.037 0.204 0.000 0.787 325 A CB -0.061 19.020 19.000 0.135 0.000 0.858 325 A HN 0.940 nan 8.150 nan 0.000 0.474 326 E N -0.384 119.865 120.200 0.082 0.000 2.244 326 E HA 0.624 4.975 4.350 0.001 0.000 0.266 326 E C -1.139 175.273 176.600 -0.314 0.000 0.914 326 E CA -0.548 55.816 56.400 -0.059 0.000 0.794 326 E CB 1.740 31.417 29.700 -0.038 0.000 1.210 326 E HN 0.045 nan 8.360 nan 0.000 0.414 327 S N -0.338 114.984 115.700 -0.630 0.000 2.596 327 S HA 0.256 4.727 4.470 0.001 0.000 0.270 327 S C 0.645 174.920 174.600 -0.541 0.000 1.155 327 S CA 0.048 57.806 58.200 -0.738 0.000 0.827 327 S CB 1.396 63.741 63.200 -1.425 0.000 1.130 327 S HN 0.620 nan 8.310 nan 0.000 0.467 328 T N 0.350 114.706 114.554 -0.329 0.000 2.812 328 T HA 0.020 4.371 4.350 0.001 0.000 0.264 328 T C 0.765 175.370 174.700 -0.160 0.000 1.042 328 T CA 1.716 63.709 62.100 -0.178 0.000 1.140 328 T CB -0.329 68.505 68.868 -0.057 0.000 0.870 328 T HN 0.782 nan 8.240 nan 0.000 0.445 329 Q N -2.047 117.632 119.800 -0.201 0.000 1.748 329 Q HA 0.269 4.610 4.340 0.001 0.000 0.172 329 Q C 0.089 176.347 176.000 0.429 0.000 0.810 329 Q CA -0.684 55.204 55.803 0.141 0.000 0.831 329 Q CB -1.549 27.359 28.738 0.283 0.000 1.249 329 Q HN 0.552 nan 8.270 nan 0.000 0.375 330 W N -1.899 119.524 121.300 0.206 0.000 2.076 330 W HA -0.239 4.421 4.660 0.001 0.000 0.252 330 W C -0.598 175.642 176.519 -0.465 0.000 1.003 330 W CA 0.911 58.199 57.345 -0.095 0.000 0.468 330 W CB -1.781 27.623 29.460 -0.093 0.000 2.014 330 W HN 0.438 nan 8.180 nan 0.000 1.377 331 W N 1.112 122.587 121.300 0.292 0.000 2.104 331 W HA 0.501 5.161 4.660 0.001 0.000 0.291 331 W C 0.873 177.636 176.519 0.407 0.000 0.936 331 W CA -0.519 56.984 57.345 0.263 0.000 1.856 331 W CB -0.003 29.596 29.460 0.231 0.000 2.036 331 W HN -0.139 nan 8.180 nan 0.000 0.393 332 E N 0.964 121.427 120.200 0.437 0.000 2.476 332 E HA 0.233 4.584 4.350 0.001 0.000 0.199 332 E C 0.279 177.026 176.600 0.246 0.000 1.021 332 E CA 0.354 57.051 56.400 0.494 0.000 0.907 332 E CB 1.002 30.950 29.700 0.412 0.000 0.974 332 E HN 0.273 nan 8.360 nan 0.000 0.489 333 I N 0.377 120.964 120.570 0.028 0.000 2.533 333 I HA 0.359 4.529 4.170 0.001 0.000 0.290 333 I C -0.235 175.526 176.117 -0.593 0.000 1.056 333 I CA -0.873 60.120 61.300 -0.512 0.000 1.057 333 I CB 2.274 40.056 38.000 -0.365 0.000 1.240 333 I HN -0.128 nan 8.210 nan 0.000 0.423 334 G N 6.579 114.763 108.800 -1.026 0.000 2.470 334 G HA2 0.782 4.743 3.960 0.001 0.000 0.320 334 G HA3 0.782 4.743 3.960 0.001 0.000 0.320 334 G C -1.037 173.669 174.900 -0.323 0.000 1.245 334 G CA -0.390 44.387 45.100 -0.539 0.000 0.935 334 G HN 0.435 nan 8.290 nan 0.000 0.476 335 I N 1.125 121.474 120.570 -0.370 0.000 2.433 335 I HA 0.464 4.635 4.170 0.001 0.000 0.292 335 I C -0.980 174.921 176.117 -0.360 0.000 1.001 335 I CA -0.607 60.562 61.300 -0.219 0.000 1.119 335 I CB 1.940 39.872 38.000 -0.114 0.000 1.289 335 I HN 0.299 nan 8.210 nan 0.000 0.438 336 F N 3.395 123.376 119.950 0.051 0.000 2.507 336 F HA 0.611 5.139 4.527 0.001 0.000 0.325 336 F C 0.208 176.025 175.800 0.029 0.000 1.116 336 F CA -0.586 57.432 58.000 0.031 0.000 0.930 336 F CB 2.349 41.372 39.000 0.039 0.000 1.146 336 F HN 0.245 nan 8.300 nan 0.000 0.447 337 T N 4.551 119.240 114.554 0.227 0.000 3.097 337 T HA 0.413 4.764 4.350 0.001 0.000 0.332 337 T C -3.105 171.663 174.700 0.113 0.000 1.269 337 T CA -1.686 60.494 62.100 0.134 0.000 1.076 337 T CB 1.939 70.859 68.868 0.086 0.000 1.209 337 T HN 0.208 nan 8.240 nan 0.000 0.474 338 P HA 0.273 nan 4.420 nan 0.000 0.285 338 P C 0.620 177.958 177.300 0.063 0.000 1.259 338 P CA -0.292 62.851 63.100 0.072 0.000 0.794 338 P CB 1.022 32.754 31.700 0.052 0.000 0.940 339 T N -1.291 113.302 114.554 0.065 0.000 3.107 339 T HA 0.207 4.558 4.350 0.001 0.000 0.249 339 T C 0.401 175.132 174.700 0.052 0.000 1.096 339 T CA 0.322 62.454 62.100 0.054 0.000 1.012 339 T CB 0.114 69.011 68.868 0.048 0.000 0.977 339 T HN 0.390 nan 8.240 nan 0.000 0.527 340 E N 0.302 120.535 120.200 0.056 0.000 2.429 340 E HA 0.396 4.747 4.350 0.001 0.000 0.276 340 E C -1.520 175.104 176.600 0.040 0.000 0.953 340 E CA -0.884 55.546 56.400 0.051 0.000 0.787 340 E CB 1.888 31.628 29.700 0.066 0.000 1.307 340 E HN 0.104 nan 8.360 nan 0.000 0.458 341 D N -0.640 119.779 120.400 0.033 0.000 2.283 341 D HA 0.359 4.999 4.640 0.001 0.000 0.248 341 D C 0.502 176.813 176.300 0.019 0.000 1.072 341 D CA 0.849 54.863 54.000 0.023 0.000 0.929 341 D CB 1.240 42.052 40.800 0.019 0.000 1.182 341 D HN 0.679 nan 8.370 nan 0.000 0.433 342 G N 0.671 109.478 108.800 0.011 0.000 2.198 342 G HA2 -0.227 3.733 3.960 0.001 0.000 0.257 342 G HA3 -0.227 3.733 3.960 0.001 0.000 0.257 342 G C -0.180 174.720 174.900 0.000 0.000 1.042 342 G CA -0.136 44.967 45.100 0.004 0.000 0.791 342 G HN 0.352 nan 8.290 nan 0.000 0.502 343 L N 0.333 121.557 121.223 0.002 0.000 2.309 343 L HA 0.453 4.794 4.340 0.001 0.000 0.282 343 L C 1.227 178.086 176.870 -0.019 0.000 1.036 343 L CA -0.512 54.323 54.840 -0.008 0.000 0.806 343 L CB 1.316 43.378 42.059 0.004 0.000 1.220 343 L HN 0.282 nan 8.230 nan 0.000 0.429 344 D N 1.108 121.488 120.400 -0.033 0.000 2.350 344 D HA 0.005 4.646 4.640 0.001 0.000 0.213 344 D C 0.434 176.703 176.300 -0.052 0.000 1.031 344 D CA 0.230 54.207 54.000 -0.039 0.000 0.861 344 D CB 0.450 41.228 40.800 -0.038 0.000 0.926 344 D HN 0.348 nan 8.370 nan 0.000 0.520 345 R N 0.265 120.727 120.500 -0.063 0.000 2.651 345 R HA 0.429 4.770 4.340 0.001 0.000 0.278 345 R C -2.711 173.565 176.300 -0.040 0.000 1.010 345 R CA -1.827 54.227 56.100 -0.077 0.000 0.896 345 R CB 2.536 32.777 30.300 -0.099 0.000 1.211 345 R HN -0.053 nan 8.270 nan 0.000 0.456 346 P HA -0.015 nan 4.420 nan 0.000 0.268 346 P C -0.546 176.824 177.300 0.116 0.000 1.205 346 P CA 0.095 63.235 63.100 0.066 0.000 0.771 346 P CB 0.727 32.511 31.700 0.141 0.000 0.858 347 D N 1.296 121.776 120.400 0.134 0.000 2.349 347 D HA 0.106 4.747 4.640 0.001 0.000 0.214 347 D C 0.141 176.547 176.300 0.176 0.000 1.063 347 D CA 0.105 54.215 54.000 0.185 0.000 0.847 347 D CB -0.145 40.775 40.800 0.200 0.000 0.933 347 D HN 0.138 nan 8.370 nan 0.000 0.513 348 L N 0.384 121.706 121.223 0.164 0.000 2.436 348 L HA 0.555 4.896 4.340 0.001 0.000 0.268 348 L C -1.548 175.407 176.870 0.140 0.000 0.974 348 L CA -0.753 54.166 54.840 0.131 0.000 0.826 348 L CB 2.261 44.378 42.059 0.097 0.000 1.291 348 L HN 0.004 nan 8.230 nan 0.000 0.406 349 M N 5.052 124.680 119.600 0.047 0.000 2.591 349 M HA 0.676 5.157 4.480 0.001 0.000 0.306 349 M C -1.808 174.408 176.300 -0.140 0.000 1.190 349 M CA -0.514 54.699 55.300 -0.145 0.000 0.889 349 M CB 2.246 34.685 32.600 -0.268 0.000 1.728 349 M HN 0.709 nan 8.290 nan 0.000 0.458 350 M N 2.271 121.732 119.600 -0.231 0.000 2.464 350 M HA 0.414 4.895 4.480 0.001 0.000 0.308 350 M C -1.544 174.659 176.300 -0.162 0.000 1.127 350 M CA -0.694 54.556 55.300 -0.082 0.000 0.913 350 M CB 2.309 34.924 32.600 0.025 0.000 1.689 350 M HN 0.694 nan 8.290 nan 0.000 0.445 351 H N 0.343 119.531 119.070 0.197 0.000 2.472 351 H HA 0.364 4.920 4.556 0.001 0.000 0.335 351 H C -1.455 174.131 175.328 0.430 0.000 1.136 351 H CA -0.139 56.134 56.048 0.374 0.000 1.264 351 H CB 1.012 31.057 29.762 0.471 0.000 1.486 351 H HN 0.519 nan 8.280 nan 0.000 0.517 352 Y N 1.425 121.947 120.300 0.371 0.000 2.331 352 Y HA 0.517 5.068 4.550 0.001 0.000 0.338 352 Y C -0.184 175.778 175.900 0.104 0.000 0.976 352 Y CA -1.161 57.063 58.100 0.206 0.000 1.137 352 Y CB 0.909 39.372 38.460 0.004 0.000 1.172 352 Y HN 0.733 nan 8.280 nan 0.000 0.478 353 G N 2.721 111.088 108.800 -0.722 0.000 2.372 353 G HA2 0.351 4.312 3.960 0.001 0.000 0.323 353 G HA3 0.351 4.312 3.960 0.001 0.000 0.323 353 G C 0.023 174.238 174.900 -1.141 0.000 1.152 353 G CA -0.485 43.711 45.100 -1.508 0.000 0.906 353 G HN 0.851 nan 8.290 nan 0.000 0.460 354 S N 0.009 115.149 115.700 -0.933 0.000 2.727 354 S HA 0.147 4.618 4.470 0.001 0.000 0.226 354 S C 0.801 175.339 174.600 -0.103 0.000 0.963 354 S CA 0.388 58.358 58.200 -0.383 0.000 0.950 354 S CB -0.868 62.260 63.200 -0.120 0.000 0.779 354 S HN 1.138 nan 8.310 nan 0.000 0.532 355 V N -3.671 116.110 119.914 -0.220 0.000 3.102 355 V HA 0.757 4.878 4.120 0.001 0.000 0.312 355 V C -3.140 172.948 176.094 -0.009 0.000 1.135 355 V CA -3.091 59.155 62.300 -0.089 0.000 1.022 355 V CB 1.607 33.335 31.823 -0.158 0.000 1.056 355 V HN -0.085 nan 8.190 nan 0.000 0.436 356 P HA 0.388 nan 4.420 nan 0.000 0.276 356 P C -1.252 176.190 177.300 0.236 0.000 1.244 356 P CA -0.040 63.122 63.100 0.102 0.000 0.801 356 P CB 0.645 32.377 31.700 0.054 0.000 1.006 357 F N 2.182 122.180 119.950 0.080 0.000 2.809 357 F HA 0.217 4.745 4.527 0.001 0.000 0.369 357 F C 0.046 175.889 175.800 0.072 0.000 1.225 357 F CA -0.923 57.160 58.000 0.138 0.000 1.201 357 F CB 0.183 39.370 39.000 0.311 0.000 1.527 357 F HN 0.115 nan 8.300 nan 0.000 0.565 358 D N 2.428 122.727 120.400 -0.169 0.000 2.340 358 D HA -0.050 4.591 4.640 0.001 0.000 0.217 358 D C 2.107 178.234 176.300 -0.289 0.000 1.081 358 D CA 0.176 54.074 54.000 -0.170 0.000 0.842 358 D CB -0.243 40.511 40.800 -0.076 0.000 0.934 358 D HN 0.571 nan 8.370 nan 0.000 0.511 359 M N 0.458 119.731 119.600 -0.545 0.000 2.128 359 M HA -0.254 4.226 4.480 0.001 0.000 0.253 359 M C 0.329 176.435 176.300 -0.324 0.000 1.079 359 M CA 1.712 56.714 55.300 -0.497 0.000 1.082 359 M CB 0.030 32.149 32.600 -0.801 0.000 1.335 359 M HN 0.003 nan 8.290 nan 0.000 0.401 360 N N -1.566 116.957 118.700 -0.295 0.000 2.171 360 N HA 0.079 4.819 4.740 0.001 0.000 0.212 360 N C 1.170 176.619 175.510 -0.101 0.000 1.184 360 N CA 1.066 53.999 53.050 -0.196 0.000 0.888 360 N CB 0.631 39.002 38.487 -0.194 0.000 1.038 360 N HN 0.540 nan 8.380 nan 0.000 0.517 361 T N -1.835 112.666 114.554 -0.089 0.000 3.023 361 T HA 0.110 4.461 4.350 0.001 0.000 0.249 361 T C 1.901 176.684 174.700 0.138 0.000 1.050 361 T CA -0.053 62.080 62.100 0.055 0.000 1.088 361 T CB -0.034 68.809 68.868 -0.040 0.000 0.946 361 T HN -0.106 nan 8.240 nan 0.000 0.480 362 L N 2.825 124.042 121.223 -0.009 0.000 1.990 362 L HA -0.014 4.327 4.340 0.001 0.000 0.213 362 L C 2.733 179.552 176.870 -0.085 0.000 1.072 362 L CA 2.088 56.909 54.840 -0.032 0.000 0.755 362 L CB -0.540 41.470 42.059 -0.082 0.000 0.889 362 L HN 0.426 nan 8.230 nan 0.000 0.432 363 R N -2.067 118.307 120.500 -0.211 0.000 2.357 363 R HA -0.110 4.231 4.340 0.001 0.000 0.202 363 R C 0.850 176.858 176.300 -0.487 0.000 1.047 363 R CA 1.254 57.122 56.100 -0.386 0.000 1.034 363 R CB -0.681 29.240 30.300 -0.632 0.000 0.875 363 R HN 0.506 nan 8.270 nan 0.000 0.473 364 H N -0.087 118.938 119.070 -0.076 0.000 2.592 364 H HA 0.212 4.769 4.556 0.001 0.000 0.279 364 H C 0.728 175.964 175.328 -0.153 0.000 1.089 364 H CA 0.335 56.352 56.048 -0.051 0.000 1.150 364 H CB 1.253 31.067 29.762 0.088 0.000 1.575 364 H HN 0.537 nan 8.280 nan 0.000 0.547 365 G N 1.046 109.813 108.800 -0.055 0.000 2.160 365 G HA2 -0.296 3.665 3.960 0.001 0.000 0.244 365 G HA3 -0.296 3.665 3.960 0.001 0.000 0.244 365 G C -0.403 174.385 174.900 -0.187 0.000 1.022 365 G CA -0.214 44.810 45.100 -0.127 0.000 0.741 365 G HN 0.366 nan 8.290 nan 0.000 0.508 366 Y N 1.293 121.598 120.300 0.008 0.000 2.335 366 Y HA 0.421 4.972 4.550 0.001 0.000 0.331 366 Y C -0.963 174.926 175.900 -0.019 0.000 1.094 366 Y CA -1.679 56.423 58.100 0.003 0.000 1.253 366 Y CB 0.835 39.313 38.460 0.030 0.000 1.203 366 Y HN 0.074 nan 8.280 nan 0.000 0.508 367 P HA -0.018 nan 4.420 nan 0.000 0.267 367 P C -0.125 177.206 177.300 0.051 0.000 1.200 367 P CA -0.015 63.118 63.100 0.054 0.000 0.772 367 P CB 1.121 32.843 31.700 0.035 0.000 0.855 368 T N -0.957 113.612 114.554 0.026 0.000 2.807 368 T HA 0.719 5.070 4.350 0.001 0.000 0.277 368 T C -0.670 174.038 174.700 0.014 0.000 1.006 368 T CA -0.501 61.608 62.100 0.015 0.000 1.006 368 T CB 1.835 70.704 68.868 0.002 0.000 1.274 368 T HN 0.599 nan 8.240 nan 0.000 0.569 369 T N -0.779 113.783 114.554 0.014 0.000 2.831 369 T HA 0.354 4.705 4.350 0.001 0.000 0.333 369 T C -1.024 173.690 174.700 0.023 0.000 1.684 369 T CA -0.463 61.651 62.100 0.024 0.000 1.049 369 T CB 1.672 70.564 68.868 0.039 0.000 1.518 369 T HN 0.745 nan 8.240 nan 0.000 0.491 370 E N 1.034 121.251 120.200 0.028 0.000 2.538 370 E HA 0.233 4.584 4.350 0.001 0.000 0.207 370 E C -0.437 176.193 176.600 0.050 0.000 1.002 370 E CA -0.096 56.318 56.400 0.023 0.000 0.952 370 E CB 0.446 30.153 29.700 0.011 0.000 1.031 370 E HN 0.332 nan 8.360 nan 0.000 0.476 371 N N 0.447 119.194 118.700 0.077 0.000 2.648 371 N HA 0.360 5.101 4.740 0.001 0.000 0.261 371 N C -0.930 174.684 175.510 0.173 0.000 1.138 371 N CA -0.190 52.936 53.050 0.127 0.000 0.804 371 N CB 1.308 39.872 38.487 0.128 0.000 1.237 371 N HN 0.135 nan 8.380 nan 0.000 0.532 372 G N 0.717 109.637 108.800 0.201 0.000 2.554 372 G HA2 0.591 4.552 3.960 0.001 0.000 0.306 372 G HA3 0.591 4.552 3.960 0.001 0.000 0.306 372 G C -1.791 173.309 174.900 0.335 0.000 1.320 372 G CA -0.711 44.533 45.100 0.240 0.000 0.800 372 G HN 0.350 nan 8.290 nan 0.000 0.481 373 F N -1.851 118.195 119.950 0.160 0.000 2.711 373 F HA 0.883 5.411 4.527 0.001 0.000 0.313 373 F C -0.645 175.263 175.800 0.181 0.000 1.141 373 F CA -1.271 56.795 58.000 0.111 0.000 0.941 373 F CB 1.704 40.837 39.000 0.222 0.000 1.349 373 F HN 0.508 nan 8.300 nan 0.000 0.464 374 S N 1.422 117.271 115.700 0.248 0.000 2.547 374 S HA 0.709 5.179 4.470 0.001 0.000 0.281 374 S C -1.221 173.612 174.600 0.388 0.000 1.118 374 S CA -0.709 57.632 58.200 0.235 0.000 0.947 374 S CB 1.712 65.056 63.200 0.241 0.000 1.053 374 S HN 0.638 nan 8.310 nan 0.000 0.482 375 L N 3.078 124.539 121.223 0.396 0.000 2.272 375 L HA 0.506 4.847 4.340 0.001 0.000 0.289 375 L C 0.246 177.317 176.870 0.336 0.000 1.032 375 L CA -0.546 54.530 54.840 0.393 0.000 0.810 375 L CB 1.380 43.659 42.059 0.367 0.000 1.205 375 L HN 0.707 nan 8.230 nan 0.000 0.422 376 T N 0.817 115.594 114.554 0.372 0.000 2.853 376 T HA 0.464 4.815 4.350 0.001 0.000 0.317 376 T C -2.549 172.288 174.700 0.228 0.000 1.059 376 T CA -2.143 60.132 62.100 0.291 0.000 0.954 376 T CB 0.917 69.933 68.868 0.248 0.000 0.994 376 T HN 0.198 nan 8.240 nan 0.000 0.479 377 P HA 0.337 nan 4.420 nan 0.000 0.279 377 P C -0.947 176.424 177.300 0.119 0.000 1.239 377 P CA -0.480 62.696 63.100 0.126 0.000 0.789 377 P CB 0.824 32.594 31.700 0.117 0.000 0.933 378 N N 0.313 119.068 118.700 0.092 0.000 2.242 378 N HA 0.323 5.064 4.740 0.001 0.000 0.292 378 N C -1.428 174.136 175.510 0.091 0.000 1.125 378 N CA -1.023 52.082 53.050 0.091 0.000 0.783 378 N CB 1.142 39.676 38.487 0.078 0.000 1.558 378 N HN -0.050 nan 8.380 nan 0.000 0.472 379 V N 1.696 121.685 119.914 0.124 0.000 2.427 379 V HA 0.162 4.283 4.120 0.001 0.000 0.268 379 V C 1.589 177.807 176.094 0.207 0.000 1.046 379 V CA 0.151 62.546 62.300 0.159 0.000 0.970 379 V CB 0.156 32.075 31.823 0.159 0.000 1.001 379 V HN 1.028 nan 8.190 nan 0.000 0.476 380 T N 0.806 115.482 114.554 0.203 0.000 2.942 380 T HA -0.052 4.299 4.350 0.001 0.000 0.265 380 T C 0.705 175.543 174.700 0.229 0.000 1.062 380 T CA 0.844 63.038 62.100 0.157 0.000 1.139 380 T CB -0.169 68.828 68.868 0.214 0.000 0.883 380 T HN 0.683 nan 8.240 nan 0.000 0.468 381 H N 1.131 120.347 119.070 0.243 0.000 2.379 381 H HA 0.709 5.266 4.556 0.001 0.000 0.229 381 H C -0.084 175.381 175.328 0.227 0.000 1.423 381 H CA -0.671 55.512 56.048 0.225 0.000 1.375 381 H CB 0.083 29.949 29.762 0.173 0.000 1.592 381 H HN 0.525 nan 8.280 nan 0.000 0.507 382 A N 0.967 123.953 122.820 0.278 0.000 2.511 382 A HA 0.101 4.422 4.320 0.001 0.000 0.242 382 A C 1.151 178.829 177.584 0.156 0.000 1.069 382 A CA -0.146 52.031 52.037 0.233 0.000 0.763 382 A CB 0.364 19.441 19.000 0.129 0.000 1.001 382 A HN 0.791 nan 8.150 nan 0.000 0.498 383 R N 1.529 122.123 120.500 0.157 0.000 2.276 383 R HA 0.059 4.400 4.340 0.001 0.000 0.196 383 R C 0.471 176.798 176.300 0.044 0.000 0.961 383 R CA 0.345 56.489 56.100 0.075 0.000 1.024 383 R CB 0.042 30.369 30.300 0.044 0.000 0.940 383 R HN 0.660 nan 8.270 nan 0.000 0.480 384 S N 1.092 116.809 115.700 0.030 0.000 2.573 384 S HA 0.170 4.640 4.470 0.001 0.000 0.277 384 S C 0.169 174.740 174.600 -0.049 0.000 1.346 384 S CA 0.008 58.195 58.200 -0.021 0.000 1.034 384 S CB 0.659 63.815 63.200 -0.074 0.000 0.879 384 S HN 0.110 nan 8.310 nan 0.000 0.528 385 R N 0.712 121.173 120.500 -0.064 0.000 2.686 385 R HA 0.660 5.001 4.340 0.001 0.000 0.283 385 R C 0.321 176.545 176.300 -0.127 0.000 0.978 385 R CA -0.538 55.514 56.100 -0.081 0.000 0.897 385 R CB 1.661 31.940 30.300 -0.035 0.000 1.192 385 R HN 0.786 nan 8.270 nan 0.000 0.457 386 G N -0.187 108.515 108.800 -0.164 0.000 3.209 386 G HA2 0.659 4.619 3.960 0.001 0.000 0.236 386 G HA3 0.659 4.619 3.960 0.001 0.000 0.236 386 G C -0.890 173.891 174.900 -0.198 0.000 1.329 386 G CA -0.315 44.670 45.100 -0.191 0.000 1.015 386 G HN 0.542 nan 8.290 nan 0.000 0.571 387 T N -3.565 110.868 114.554 -0.201 0.000 2.883 387 T HA 0.633 4.983 4.350 0.001 0.000 0.301 387 T C -1.407 173.167 174.700 -0.209 0.000 1.158 387 T CA -0.643 61.326 62.100 -0.218 0.000 1.007 387 T CB 1.803 70.538 68.868 -0.221 0.000 1.186 387 T HN 0.635 nan 8.240 nan 0.000 0.499 388 V N 1.766 121.548 119.914 -0.220 0.000 2.444 388 V HA 0.655 4.776 4.120 0.001 0.000 0.294 388 V C -0.155 175.815 176.094 -0.206 0.000 1.022 388 V CA -0.750 61.425 62.300 -0.209 0.000 0.850 388 V CB 1.350 33.039 31.823 -0.223 0.000 0.992 388 V HN 0.855 nan 8.190 nan 0.000 0.426 389 R N 3.616 124.007 120.500 -0.182 0.000 2.750 389 R HA 0.656 4.996 4.340 0.001 0.000 0.281 389 R C -0.988 175.323 176.300 0.018 0.000 0.972 389 R CA -0.944 55.043 56.100 -0.188 0.000 0.912 389 R CB 2.231 32.315 30.300 -0.359 0.000 1.187 389 R HN 0.563 nan 8.270 nan 0.000 0.464 390 L N 2.495 123.894 121.223 0.293 0.000 2.514 390 L HA 0.061 4.402 4.340 0.001 0.000 0.280 390 L C 1.803 178.595 176.870 -0.129 0.000 1.223 390 L CA 0.464 55.295 54.840 -0.015 0.000 0.864 390 L CB 0.360 42.268 42.059 -0.252 0.000 1.118 390 L HN 0.644 nan 8.230 nan 0.000 0.494 391 R N 1.032 121.421 120.500 -0.185 0.000 2.156 391 R HA 0.035 4.376 4.340 0.001 0.000 0.207 391 R C 0.368 176.523 176.300 -0.242 0.000 1.040 391 R CA 0.916 56.946 56.100 -0.118 0.000 1.013 391 R CB 0.462 30.728 30.300 -0.056 0.000 0.931 391 R HN 0.887 nan 8.270 nan 0.000 0.465 392 S N -1.647 113.823 115.700 -0.384 0.000 2.661 392 S HA 0.151 4.621 4.470 0.001 0.000 0.268 392 S C 0.104 174.521 174.600 -0.304 0.000 1.162 392 S CA -0.988 57.007 58.200 -0.342 0.000 0.817 392 S CB 0.978 64.118 63.200 -0.099 0.000 1.141 392 S HN 0.337 nan 8.310 nan 0.000 0.477 393 R N -0.060 120.358 120.500 -0.136 0.000 2.307 393 R HA 0.154 4.494 4.340 0.001 0.000 0.199 393 R C -0.309 175.981 176.300 -0.017 0.000 1.000 393 R CA 0.366 56.429 56.100 -0.062 0.000 1.023 393 R CB -0.403 29.896 30.300 -0.001 0.000 0.908 393 R HN 0.565 nan 8.270 nan 0.000 0.473 394 D N 1.623 121.997 120.400 -0.043 0.000 2.316 394 D HA -0.039 4.601 4.640 0.001 0.000 0.245 394 D C 0.731 176.988 176.300 -0.071 0.000 1.171 394 D CA -0.814 53.155 54.000 -0.052 0.000 0.856 394 D CB 0.640 41.369 40.800 -0.117 0.000 1.090 394 D HN 0.270 nan 8.370 nan 0.000 0.476 395 F N 3.185 123.098 119.950 -0.062 0.000 2.583 395 F HA -0.003 4.525 4.527 0.001 0.000 0.297 395 F C 1.531 177.318 175.800 -0.023 0.000 1.131 395 F CA 0.245 58.216 58.000 -0.049 0.000 1.467 395 F CB -0.107 38.869 39.000 -0.040 0.000 1.097 395 F HN 0.160 nan 8.300 nan 0.000 0.586 396 R N 0.549 120.665 120.500 -0.640 0.000 2.161 396 R HA 0.025 4.365 4.340 0.001 0.000 0.213 396 R C -0.107 176.091 176.300 -0.170 0.000 1.055 396 R CA 0.569 56.387 56.100 -0.469 0.000 0.996 396 R CB -0.511 29.488 30.300 -0.501 0.000 0.901 396 R HN 0.218 nan 8.270 nan 0.000 0.456 397 D N 1.863 122.183 120.400 -0.133 0.000 2.390 397 D HA 0.025 4.666 4.640 0.001 0.000 0.249 397 D C -0.296 176.004 176.300 0.001 0.000 1.144 397 D CA 0.263 54.228 54.000 -0.058 0.000 0.880 397 D CB 0.685 41.444 40.800 -0.069 0.000 1.182 397 D HN -0.041 nan 8.370 nan 0.000 0.451 398 K N 3.882 124.324 120.400 0.070 0.000 2.448 398 K HA 0.095 4.416 4.320 0.001 0.000 0.278 398 K C -2.006 174.614 176.600 0.033 0.000 1.009 398 K CA -0.958 55.422 56.287 0.155 0.000 0.995 398 K CB 0.142 32.801 32.500 0.266 0.000 0.917 398 K HN 0.293 nan 8.250 nan 0.000 0.481 399 P HA -0.026 nan 4.420 nan 0.000 0.272 399 P C -0.526 176.722 177.300 -0.086 0.000 1.240 399 P CA 0.051 63.079 63.100 -0.120 0.000 0.791 399 P CB 0.540 32.102 31.700 -0.231 0.000 0.978 400 M N 0.941 120.497 119.600 -0.075 0.000 2.108 400 M HA 0.202 4.683 4.480 0.001 0.000 0.347 400 M C -0.495 175.754 176.300 -0.085 0.000 1.326 400 M CA -0.347 54.923 55.300 -0.051 0.000 1.126 400 M CB 0.521 33.103 32.600 -0.031 0.000 1.606 400 M HN -0.001 nan 8.290 nan 0.000 0.462 401 V N 2.960 122.842 119.914 -0.054 0.000 2.311 401 V HA 0.244 4.365 4.120 0.001 0.000 0.275 401 V C -0.669 175.408 176.094 -0.028 0.000 1.022 401 V CA -0.416 61.846 62.300 -0.064 0.000 0.830 401 V CB 1.244 33.050 31.823 -0.028 0.000 1.012 401 V HN 0.673 nan 8.190 nan 0.000 0.452 402 D N 6.763 127.109 120.400 -0.090 0.000 2.408 402 D HA 0.448 5.089 4.640 0.001 0.000 0.261 402 D C -2.068 174.115 176.300 -0.194 0.000 1.190 402 D CA -1.829 52.111 54.000 -0.101 0.000 0.910 402 D CB 2.484 43.232 40.800 -0.086 0.000 1.097 402 D HN 0.198 nan 8.370 nan 0.000 0.522 403 P HA 0.063 nan 4.420 nan 0.000 0.240 403 P C -0.361 176.644 177.300 -0.491 0.000 1.190 403 P CA 0.102 62.886 63.100 -0.528 0.000 0.781 403 P CB 0.215 31.277 31.700 -1.063 0.000 0.931 404 R N -2.454 117.846 120.500 -0.334 0.000 3.422 404 R HA -0.206 4.134 4.340 0.001 0.000 0.267 404 R C -0.537 175.677 176.300 -0.144 0.000 1.074 404 R CA 0.110 56.118 56.100 -0.153 0.000 0.718 404 R CB -3.317 26.922 30.300 -0.102 0.000 1.157 404 R HN 0.314 nan 8.270 nan 0.000 0.440 405 Y N 0.579 120.829 120.300 -0.084 0.000 3.073 405 Y HA -0.207 4.343 4.550 0.001 0.000 0.343 405 Y C 1.498 177.296 175.900 -0.169 0.000 1.274 405 Y CA 1.009 58.921 58.100 -0.313 0.000 1.554 405 Y CB 0.025 38.263 38.460 -0.371 0.000 1.250 405 Y HN 0.210 nan 8.280 nan 0.000 0.622 406 F N -0.396 119.628 119.950 0.123 0.000 3.093 406 F HA -0.304 4.224 4.527 0.001 0.000 0.287 406 F C 1.236 177.073 175.800 0.061 0.000 0.882 406 F CA 1.094 59.135 58.000 0.067 0.000 1.063 406 F CB -2.331 36.685 39.000 0.027 0.000 1.097 406 F HN 0.628 nan 8.300 nan 0.000 0.604 407 T N -3.715 110.918 114.554 0.132 0.000 3.023 407 T HA 0.078 4.428 4.350 0.001 0.000 0.253 407 T C 0.499 175.246 174.700 0.079 0.000 1.038 407 T CA 0.178 62.336 62.100 0.097 0.000 0.962 407 T CB -0.010 68.890 68.868 0.053 0.000 1.018 407 T HN 0.474 nan 8.240 nan 0.000 0.521 408 D N 2.980 123.432 120.400 0.087 0.000 2.488 408 D HA 0.013 4.653 4.640 0.001 0.000 0.238 408 D C -1.569 174.786 176.300 0.092 0.000 1.138 408 D CA -1.101 52.949 54.000 0.083 0.000 0.873 408 D CB 1.346 42.209 40.800 0.105 0.000 1.183 408 D HN 0.126 nan 8.370 nan 0.000 0.458 409 P HA -0.079 nan 4.420 nan 0.000 0.229 409 P C 0.446 177.789 177.300 0.071 0.000 1.160 409 P CA 0.866 64.004 63.100 0.064 0.000 0.777 409 P CB 0.234 31.962 31.700 0.046 0.000 0.814 410 E N -0.724 119.528 120.200 0.087 0.000 2.479 410 E HA 0.263 4.613 4.350 0.001 0.000 0.193 410 E C 1.153 177.826 176.600 0.122 0.000 1.049 410 E CA 0.300 56.757 56.400 0.094 0.000 0.870 410 E CB -0.422 29.335 29.700 0.095 0.000 0.944 410 E HN 0.120 nan 8.360 nan 0.000 0.492 411 G N 1.861 110.743 108.800 0.136 0.000 2.198 411 G HA2 -0.404 3.556 3.960 0.001 0.000 0.260 411 G HA3 -0.404 3.556 3.960 0.001 0.000 0.260 411 G C 0.550 175.554 174.900 0.173 0.000 1.025 411 G CA 0.982 46.168 45.100 0.143 0.000 0.769 411 G HN 0.567 nan 8.290 nan 0.000 0.507 412 H N 0.255 119.388 119.070 0.107 0.000 2.319 412 H HA -0.051 4.505 4.556 0.001 0.000 0.299 412 H C 2.236 177.653 175.328 0.149 0.000 1.092 412 H CA 2.319 58.433 56.048 0.111 0.000 1.302 412 H CB 0.099 29.921 29.762 0.099 0.000 1.373 412 H HN 0.362 nan 8.280 nan 0.000 0.497 413 D N -0.107 120.420 120.400 0.212 0.000 2.149 413 D HA -0.158 4.483 4.640 0.001 0.000 0.198 413 D C 2.135 178.637 176.300 0.337 0.000 0.990 413 D CA 1.286 55.419 54.000 0.222 0.000 0.839 413 D CB -0.350 40.568 40.800 0.197 0.000 0.948 413 D HN 0.406 nan 8.370 nan 0.000 0.460 414 M N 0.456 120.238 119.600 0.303 0.000 2.200 414 M HA -0.031 4.449 4.480 0.001 0.000 0.265 414 M C 1.950 178.258 176.300 0.013 0.000 1.066 414 M CA 1.223 56.574 55.300 0.086 0.000 1.127 414 M CB -0.053 32.559 32.600 0.020 0.000 1.379 414 M HN -0.134 nan 8.290 nan 0.000 0.420 415 R N -0.711 119.796 120.500 0.011 0.000 2.066 415 R HA -0.082 4.258 4.340 0.001 0.000 0.232 415 R C 1.779 178.057 176.300 -0.036 0.000 1.131 415 R CA 1.848 57.941 56.100 -0.013 0.000 0.955 415 R CB -0.691 29.608 30.300 -0.001 0.000 0.851 415 R HN 0.282 nan 8.270 nan 0.000 0.432 416 V N 1.591 121.441 119.914 -0.108 0.000 2.282 416 V HA -0.311 3.810 4.120 0.001 0.000 0.249 416 V C 2.518 178.617 176.094 0.008 0.000 1.057 416 V CA 2.212 64.464 62.300 -0.079 0.000 1.032 416 V CB -0.509 31.218 31.823 -0.161 0.000 0.645 416 V HN 0.438 nan 8.190 nan 0.000 0.447 417 M N -0.162 119.465 119.600 0.046 0.000 2.080 417 M HA -0.131 4.350 4.480 0.001 0.000 0.260 417 M C 1.988 178.313 176.300 0.041 0.000 1.068 417 M CA 1.857 57.199 55.300 0.071 0.000 1.109 417 M CB -0.607 32.043 32.600 0.083 0.000 1.342 417 M HN 0.130 nan 8.290 nan 0.000 0.405 418 V N 0.367 120.288 119.914 0.012 0.000 2.392 418 V HA -0.256 3.865 4.120 0.001 0.000 0.249 418 V C 2.498 178.607 176.094 0.026 0.000 1.059 418 V CA 1.822 64.130 62.300 0.014 0.000 1.051 418 V CB -1.585 30.237 31.823 -0.000 0.000 0.658 418 V HN 0.646 nan 8.190 nan 0.000 0.455 419 A N 0.179 123.014 122.820 0.025 0.000 2.014 419 A HA 0.038 4.359 4.320 0.001 0.000 0.218 419 A C 2.352 179.963 177.584 0.044 0.000 1.163 419 A CA 1.475 53.530 52.037 0.031 0.000 0.652 419 A CB -0.827 18.188 19.000 0.025 0.000 0.808 419 A HN 0.522 nan 8.150 nan 0.000 0.449 420 G N -0.162 108.670 108.800 0.052 0.000 2.421 420 G HA2 -0.095 3.865 3.960 0.001 0.000 0.217 420 G HA3 -0.095 3.865 3.960 0.001 0.000 0.217 420 G C 1.456 176.404 174.900 0.080 0.000 1.143 420 G CA 0.961 46.102 45.100 0.069 0.000 0.784 420 G HN 0.462 nan 8.290 nan 0.000 0.541 421 I N -0.113 120.501 120.570 0.073 0.000 2.406 421 I HA -0.054 4.116 4.170 0.001 0.000 0.249 421 I C 2.951 179.106 176.117 0.063 0.000 1.122 421 I CA 0.521 61.863 61.300 0.070 0.000 1.431 421 I CB -0.126 37.905 38.000 0.051 0.000 1.087 421 I HN 0.094 nan 8.210 nan 0.000 0.424 422 R N 0.680 121.211 120.500 0.051 0.000 2.092 422 R HA -0.182 4.159 4.340 0.001 0.000 0.231 422 R C 2.224 178.561 176.300 0.062 0.000 1.119 422 R CA 1.060 57.189 56.100 0.049 0.000 0.970 422 R CB -0.230 30.091 30.300 0.036 0.000 0.864 422 R HN 0.089 nan 8.270 nan 0.000 0.440 423 K N 0.994 121.433 120.400 0.064 0.000 2.167 423 K HA 0.043 4.364 4.320 0.001 0.000 0.203 423 K C 1.786 178.436 176.600 0.082 0.000 1.052 423 K CA 1.263 57.587 56.287 0.063 0.000 0.956 423 K CB -0.146 32.389 32.500 0.058 0.000 0.735 423 K HN 0.097 nan 8.250 nan 0.000 0.451 424 A N 1.040 123.927 122.820 0.112 0.000 1.858 424 A HA -0.153 4.167 4.320 0.001 0.000 0.216 424 A C 2.138 179.845 177.584 0.205 0.000 1.190 424 A CA 1.698 53.834 52.037 0.165 0.000 0.617 424 A CB -0.523 18.596 19.000 0.199 0.000 0.827 424 A HN 0.350 nan 8.150 nan 0.000 0.443 425 R N -0.587 120.043 120.500 0.216 0.000 2.094 425 R HA -0.180 4.161 4.340 0.001 0.000 0.239 425 R C 2.365 178.741 176.300 0.127 0.000 1.137 425 R CA 1.640 57.886 56.100 0.244 0.000 0.943 425 R CB -0.444 29.964 30.300 0.179 0.000 0.850 425 R HN 0.763 nan 8.270 nan 0.000 0.433 426 E N 0.925 121.177 120.200 0.087 0.000 2.049 426 E HA -0.237 4.113 4.350 0.001 0.000 0.198 426 E C 1.988 178.606 176.600 0.030 0.000 1.007 426 E CA 1.581 58.012 56.400 0.052 0.000 0.809 426 E CB -0.077 29.649 29.700 0.042 0.000 0.749 426 E HN 0.314 nan 8.360 nan 0.000 0.450 427 I N 0.754 121.341 120.570 0.028 0.000 2.163 427 I HA -0.269 3.902 4.170 0.001 0.000 0.243 427 I C 2.591 178.686 176.117 -0.037 0.000 1.085 427 I CA 1.095 62.392 61.300 -0.005 0.000 1.347 427 I CB -0.410 37.588 38.000 -0.003 0.000 1.044 427 I HN 0.150 nan 8.210 nan 0.000 0.408 428 A N 0.610 123.403 122.820 -0.045 0.000 2.067 428 A HA -0.010 4.310 4.320 0.001 0.000 0.219 428 A C 2.388 179.891 177.584 -0.134 0.000 1.158 428 A CA 1.552 53.485 52.037 -0.174 0.000 0.661 428 A CB -0.551 18.144 19.000 -0.508 0.000 0.801 428 A HN 0.447 nan 8.150 nan 0.000 0.452 429 A N -1.173 121.618 122.820 -0.048 0.000 2.208 429 A HA 0.146 4.467 4.320 0.001 0.000 0.209 429 A C 0.937 178.514 177.584 -0.012 0.000 1.161 429 A CA 0.002 52.031 52.037 -0.014 0.000 0.782 429 A CB -0.138 18.876 19.000 0.023 0.000 0.816 429 A HN 0.447 nan 8.150 nan 0.000 0.477 430 Q N -0.044 119.743 119.800 -0.022 0.000 2.349 430 Q HA 0.061 4.402 4.340 0.001 0.000 0.287 430 Q C -1.566 174.426 176.000 -0.014 0.000 1.044 430 Q CA -1.624 54.168 55.803 -0.019 0.000 0.918 430 Q CB 0.022 28.742 28.738 -0.030 0.000 1.242 430 Q HN 0.132 nan 8.270 nan 0.000 0.405 431 P HA -0.237 nan 4.420 nan 0.000 0.218 431 P C 0.658 177.959 177.300 0.002 0.000 1.154 431 P CA 2.345 65.443 63.100 -0.003 0.000 0.872 431 P CB 0.118 31.815 31.700 -0.004 0.000 0.790 432 A N -2.103 120.714 122.820 -0.004 0.000 2.225 432 A HA -0.100 4.221 4.320 0.001 0.000 0.215 432 A C 1.833 179.441 177.584 0.041 0.000 1.164 432 A CA 1.330 53.370 52.037 0.005 0.000 0.710 432 A CB -0.932 18.056 19.000 -0.019 0.000 0.780 432 A HN 0.120 nan 8.150 nan 0.000 0.473 433 M N -1.694 117.927 119.600 0.036 0.000 2.347 433 M HA 0.267 4.747 4.480 0.001 0.000 0.302 433 M C 1.715 178.081 176.300 0.111 0.000 1.051 433 M CA 0.587 55.936 55.300 0.083 0.000 0.988 433 M CB -0.117 32.465 32.600 -0.031 0.000 1.475 433 M HN 0.414 nan 8.290 nan 0.000 0.530 434 A N 1.090 123.942 122.820 0.055 0.000 2.121 434 A HA -0.093 4.228 4.320 0.001 0.000 0.218 434 A C 1.488 179.067 177.584 -0.008 0.000 1.154 434 A CA 1.133 53.183 52.037 0.022 0.000 0.679 434 A CB -0.407 18.596 19.000 0.005 0.000 0.795 434 A HN 0.642 nan 8.150 nan 0.000 0.458 435 E N -2.768 117.396 120.200 -0.062 0.000 2.496 435 E HA 0.109 4.460 4.350 0.001 0.000 0.200 435 E C 0.450 176.811 176.600 -0.399 0.000 1.016 435 E CA -0.420 55.848 56.400 -0.219 0.000 0.962 435 E CB -0.157 29.367 29.700 -0.292 0.000 1.071 435 E HN 0.817 nan 8.360 nan 0.000 0.457 436 W N 0.530 121.825 121.300 -0.007 0.000 3.792 436 W HA 0.153 4.813 4.660 0.001 0.000 0.217 436 W C 0.517 177.121 176.519 0.141 0.000 1.098 436 W CA -0.120 57.231 57.345 0.011 0.000 1.657 436 W CB 0.573 29.953 29.460 -0.132 0.000 0.773 436 W HN -0.196 nan 8.180 nan 0.000 0.836 437 T N 1.712 116.460 114.554 0.323 0.000 2.743 437 T HA 0.408 4.758 4.350 0.001 0.000 0.290 437 T C 0.567 175.389 174.700 0.204 0.000 0.908 437 T CA 0.270 62.516 62.100 0.243 0.000 1.092 437 T CB 0.262 69.125 68.868 -0.007 0.000 0.882 437 T HN 0.119 nan 8.240 nan 0.000 0.531 438 G N 2.230 111.196 108.800 0.276 0.000 2.606 438 G HA2 0.425 4.386 3.960 0.001 0.000 0.262 438 G HA3 0.425 4.386 3.960 0.001 0.000 0.262 438 G C -0.060 174.993 174.900 0.255 0.000 1.394 438 G CA -0.908 44.323 45.100 0.218 0.000 1.044 438 G HN 0.708 nan 8.290 nan 0.000 0.553 439 R N 0.439 121.043 120.500 0.172 0.000 2.583 439 R HA -0.002 4.339 4.340 0.001 0.000 0.274 439 R C 0.084 176.453 176.300 0.115 0.000 0.998 439 R CA 0.155 56.336 56.100 0.133 0.000 1.081 439 R CB 0.218 30.560 30.300 0.070 0.000 0.940 439 R HN 0.582 nan 8.270 nan 0.000 0.413 440 E N 4.395 124.614 120.200 0.031 0.000 2.217 440 E HA -0.020 4.331 4.350 0.001 0.000 0.279 440 E C 0.551 177.014 176.600 -0.228 0.000 1.068 440 E CA -0.186 56.036 56.400 -0.296 0.000 0.882 440 E CB 0.671 30.168 29.700 -0.338 0.000 1.039 440 E HN 0.657 nan 8.360 nan 0.000 0.418 441 L N 3.213 124.272 121.223 -0.272 0.000 2.068 441 L HA -0.012 4.329 4.340 0.001 0.000 0.204 441 L C 0.875 177.685 176.870 -0.100 0.000 1.076 441 L CA 0.603 55.367 54.840 -0.126 0.000 0.753 441 L CB -0.039 41.965 42.059 -0.092 0.000 0.910 441 L HN 0.492 nan 8.230 nan 0.000 0.439 442 S N -2.263 113.274 115.700 -0.272 0.000 2.572 442 S HA 0.389 4.860 4.470 0.001 0.000 0.274 442 S C -2.368 171.856 174.600 -0.626 0.000 1.150 442 S CA -1.150 56.792 58.200 -0.430 0.000 0.944 442 S CB 1.978 64.878 63.200 -0.501 0.000 1.071 442 S HN -0.186 nan 8.310 nan 0.000 0.479 443 P HA 0.244 nan 4.420 nan 0.000 0.231 443 P C 0.851 178.023 177.300 -0.214 0.000 1.168 443 P CA 1.124 63.696 63.100 -0.880 0.000 0.779 443 P CB -0.386 30.601 31.700 -1.188 0.000 0.844 444 G N -0.077 108.579 108.800 -0.240 0.000 2.650 444 G HA2 -0.128 3.833 3.960 0.001 0.000 0.686 444 G HA3 -0.128 3.833 3.960 0.001 0.000 0.686 444 G C 0.529 175.371 174.900 -0.097 0.000 1.205 444 G CA -0.463 44.570 45.100 -0.112 0.000 0.781 444 G HN 0.031 nan 8.290 nan 0.000 0.648 445 V N -1.274 118.606 119.914 -0.057 0.000 2.688 445 V HA -0.064 4.057 4.120 0.001 0.000 0.256 445 V C 2.258 178.337 176.094 -0.025 0.000 1.084 445 V CA 2.671 64.953 62.300 -0.031 0.000 1.103 445 V CB -0.628 31.194 31.823 -0.000 0.000 0.688 445 V HN 0.726 nan 8.190 nan 0.000 0.480 446 E N 1.463 121.650 120.200 -0.023 0.000 2.331 446 E HA 0.124 4.475 4.350 0.001 0.000 0.199 446 E C 1.107 177.695 176.600 -0.019 0.000 1.008 446 E CA 0.996 57.386 56.400 -0.016 0.000 0.843 446 E CB -0.367 29.326 29.700 -0.012 0.000 0.761 446 E HN 0.828 nan 8.360 nan 0.000 0.507 447 A N 0.497 123.293 122.820 -0.039 0.000 2.253 447 A HA 0.332 4.652 4.320 0.001 0.000 0.316 447 A C 0.401 177.958 177.584 -0.045 0.000 1.327 447 A CA -0.500 51.510 52.037 -0.045 0.000 0.917 447 A CB 0.640 19.588 19.000 -0.087 0.000 1.162 447 A HN -0.048 nan 8.150 nan 0.000 0.535 448 Q N 0.479 120.266 119.800 -0.022 0.000 2.237 448 Q HA 0.073 4.414 4.340 0.001 0.000 0.254 448 Q C 0.743 176.741 176.000 -0.004 0.000 0.771 448 Q CA 1.168 56.964 55.803 -0.012 0.000 0.958 448 Q CB 0.395 29.130 28.738 -0.006 0.000 1.202 448 Q HN 0.886 nan 8.270 nan 0.000 0.492 449 T N -1.016 113.538 114.554 -0.000 0.000 2.899 449 T HA 0.242 4.593 4.350 0.001 0.000 0.284 449 T C 0.758 175.460 174.700 0.005 0.000 1.004 449 T CA -0.333 61.769 62.100 0.004 0.000 1.043 449 T CB 1.336 70.207 68.868 0.006 0.000 1.013 449 T HN -0.204 nan 8.240 nan 0.000 0.518 450 D N 0.593 120.997 120.400 0.007 0.000 2.160 450 D HA -0.187 4.453 4.640 0.001 0.000 0.189 450 D C 1.809 178.112 176.300 0.004 0.000 1.003 450 D CA 2.125 56.128 54.000 0.006 0.000 0.846 450 D CB -0.269 40.536 40.800 0.008 0.000 0.949 450 D HN 0.914 nan 8.370 nan 0.000 0.446 451 E N 0.255 120.459 120.200 0.006 0.000 2.049 451 E HA -0.243 4.108 4.350 0.001 0.000 0.198 451 E C 1.940 178.547 176.600 0.012 0.000 1.007 451 E CA 1.374 57.778 56.400 0.007 0.000 0.809 451 E CB 0.009 29.715 29.700 0.009 0.000 0.749 451 E HN 0.343 nan 8.360 nan 0.000 0.450 452 E N 0.286 120.496 120.200 0.016 0.000 2.085 452 E HA -0.193 4.158 4.350 0.001 0.000 0.194 452 E C 2.278 178.907 176.600 0.048 0.000 0.994 452 E CA 1.186 57.602 56.400 0.028 0.000 0.801 452 E CB -0.076 29.634 29.700 0.016 0.000 0.743 452 E HN 0.331 nan 8.360 nan 0.000 0.453 453 L N 0.653 121.895 121.223 0.031 0.000 2.046 453 L HA -0.235 4.106 4.340 0.001 0.000 0.208 453 L C 2.463 179.368 176.870 0.058 0.000 1.077 453 L CA 1.321 56.193 54.840 0.053 0.000 0.747 453 L CB -0.428 41.644 42.059 0.021 0.000 0.896 453 L HN 0.200 nan 8.230 nan 0.000 0.432 454 Q N -0.340 119.460 119.800 -0.000 0.000 2.119 454 Q HA -0.242 4.098 4.340 0.001 0.000 0.201 454 Q C 1.735 177.699 176.000 -0.061 0.000 0.972 454 Q CA 1.731 57.496 55.803 -0.063 0.000 0.847 454 Q CB -0.178 28.520 28.738 -0.066 0.000 0.903 454 Q HN 0.455 nan 8.270 nan 0.000 0.433 455 D N -0.025 120.371 120.400 -0.007 0.000 2.123 455 D HA -0.236 4.404 4.640 0.001 0.000 0.196 455 D C 1.660 177.961 176.300 0.001 0.000 0.992 455 D CA 1.048 55.047 54.000 -0.002 0.000 0.833 455 D CB -0.093 40.723 40.800 0.026 0.000 0.954 455 D HN 0.355 nan 8.370 nan 0.000 0.455 456 Y N 0.482 120.741 120.300 -0.068 0.000 2.163 456 Y HA -0.064 4.487 4.550 0.001 0.000 0.288 456 Y C 2.021 177.853 175.900 -0.115 0.000 1.136 456 Y CA 1.456 59.510 58.100 -0.077 0.000 1.147 456 Y CB -0.220 38.198 38.460 -0.069 0.000 0.987 456 Y HN -0.001 nan 8.280 nan 0.000 0.509 457 I N 0.285 120.727 120.570 -0.213 0.000 2.208 457 I HA -0.343 3.828 4.170 0.001 0.000 0.245 457 I C 2.723 178.681 176.117 -0.266 0.000 1.097 457 I CA 1.549 62.664 61.300 -0.308 0.000 1.363 457 I CB -0.470 37.351 38.000 -0.298 0.000 1.051 457 I HN 0.190 nan 8.210 nan 0.000 0.413 458 R N 0.934 121.305 120.500 -0.215 0.000 2.091 458 R HA -0.191 4.150 4.340 0.001 0.000 0.238 458 R C 2.186 178.452 176.300 -0.058 0.000 1.136 458 R CA 1.593 57.644 56.100 -0.082 0.000 0.959 458 R CB -0.066 30.195 30.300 -0.066 0.000 0.856 458 R HN 0.333 nan 8.270 nan 0.000 0.437 459 K N -1.245 119.026 120.400 -0.214 0.000 2.296 459 K HA -0.030 4.291 4.320 0.001 0.000 0.200 459 K C 1.314 177.714 176.600 -0.333 0.000 1.048 459 K CA 1.518 57.599 56.287 -0.344 0.000 0.966 459 K CB 0.464 32.599 32.500 -0.607 0.000 0.754 459 K HN 0.302 nan 8.250 nan 0.000 0.466 460 T N -2.805 111.517 114.554 -0.387 0.000 3.186 460 T HA 0.043 4.394 4.350 0.001 0.000 0.292 460 T C 0.073 174.577 174.700 -0.328 0.000 0.915 460 T CA -0.629 61.233 62.100 -0.396 0.000 0.902 460 T CB -0.414 68.055 68.868 -0.665 0.000 1.192 460 T HN 0.251 nan 8.240 nan 0.000 0.563 461 H N 1.425 120.354 119.070 -0.235 0.000 2.679 461 H HA 0.753 5.310 4.556 0.001 0.000 0.369 461 H C 0.233 175.485 175.328 -0.127 0.000 1.178 461 H CA -0.049 55.913 56.048 -0.144 0.000 1.419 461 H CB 0.388 30.122 29.762 -0.046 0.000 1.458 461 H HN 0.225 nan 8.280 nan 0.000 0.605 462 N N -0.787 117.927 118.700 0.023 0.000 3.512 462 N HA 0.405 5.146 4.740 0.001 0.000 0.360 462 N C -1.366 174.078 175.510 -0.111 0.000 1.593 462 N CA -0.151 52.842 53.050 -0.095 0.000 0.672 462 N CB 2.038 40.524 38.487 -0.002 0.000 2.105 462 N HN 0.863 nan 8.380 nan 0.000 0.645 463 T N -0.972 113.399 114.554 -0.306 0.000 2.903 463 T HA 0.408 4.758 4.350 0.001 0.000 0.299 463 T C 0.037 174.443 174.700 -0.491 0.000 1.093 463 T CA -0.614 61.271 62.100 -0.358 0.000 1.002 463 T CB 0.996 69.652 68.868 -0.353 0.000 1.127 463 T HN 0.084 nan 8.240 nan 0.000 0.488 464 V N 3.776 123.471 119.914 -0.364 0.000 3.573 464 V HA 0.146 4.266 4.120 0.001 0.000 0.270 464 V C 0.160 176.050 176.094 -0.340 0.000 1.221 464 V CA 0.261 62.291 62.300 -0.449 0.000 1.163 464 V CB -2.200 29.259 31.823 -0.606 0.000 0.847 464 V HN 1.064 nan 8.190 nan 0.000 0.468 465 Y N -0.882 119.342 120.300 -0.126 0.000 3.661 465 Y HA -0.232 4.319 4.550 0.001 0.000 0.224 465 Y C 0.568 176.664 175.900 0.326 0.000 1.342 465 Y CA 0.543 58.738 58.100 0.159 0.000 1.723 465 Y CB -2.908 35.661 38.460 0.182 0.000 1.546 465 Y HN 0.606 nan 8.280 nan 0.000 0.631 466 H N -0.373 118.874 119.070 0.296 0.000 2.429 466 H HA 0.234 4.791 4.556 0.001 0.000 0.237 466 H C -2.367 173.007 175.328 0.077 0.000 1.378 466 H CA -2.159 54.028 56.048 0.231 0.000 1.170 466 H CB 0.573 30.533 29.762 0.329 0.000 1.671 466 H HN 0.045 nan 8.280 nan 0.000 0.541 467 P HA 0.025 nan 4.420 nan 0.000 0.271 467 P C -0.017 177.162 177.300 -0.201 0.000 1.220 467 P CA 0.012 63.042 63.100 -0.115 0.000 0.768 467 P CB 1.962 33.518 31.700 -0.240 0.000 0.848 468 V N -1.658 118.058 119.914 -0.329 0.000 3.159 468 V HA 0.855 4.975 4.120 0.001 0.000 0.308 468 V C 0.681 176.582 176.094 -0.322 0.000 1.190 468 V CA -0.281 61.799 62.300 -0.367 0.000 1.037 468 V CB 1.047 32.523 31.823 -0.578 0.000 1.060 468 V HN 0.760 nan 8.190 nan 0.000 0.437 469 G N 1.124 109.748 108.800 -0.293 0.000 2.143 469 G HA2 -0.241 3.719 3.960 0.001 0.000 0.249 469 G HA3 -0.241 3.719 3.960 0.001 0.000 0.249 469 G C 0.706 175.495 174.900 -0.186 0.000 0.981 469 G CA 1.165 46.101 45.100 -0.274 0.000 0.665 469 G HN 2.210 nan 8.290 nan 0.000 0.528 470 T N -2.436 112.006 114.554 -0.185 0.000 3.118 470 T HA 0.391 4.741 4.350 0.001 0.000 0.260 470 T C 0.783 175.401 174.700 -0.137 0.000 1.139 470 T CA 1.018 63.020 62.100 -0.163 0.000 1.085 470 T CB 0.624 69.378 68.868 -0.189 0.000 0.934 470 T HN 0.886 nan 8.240 nan 0.000 0.518 471 V N 2.674 122.503 119.914 -0.141 0.000 2.554 471 V HA 0.324 4.445 4.120 0.001 0.000 0.258 471 V C 0.147 176.147 176.094 -0.157 0.000 0.919 471 V CA -1.343 60.885 62.300 -0.121 0.000 0.910 471 V CB 0.142 31.897 31.823 -0.113 0.000 1.100 471 V HN 0.541 nan 8.190 nan 0.000 0.491 472 R N 2.892 123.298 120.500 -0.156 0.000 2.594 472 R HA 0.643 4.984 4.340 0.001 0.000 0.272 472 R C 0.297 176.443 176.300 -0.256 0.000 1.074 472 R CA -0.554 55.386 56.100 -0.266 0.000 1.105 472 R CB 0.936 31.044 30.300 -0.320 0.000 1.008 472 R HN 0.629 nan 8.270 nan 0.000 0.472 473 M N 0.952 120.341 119.600 -0.352 0.000 2.226 473 M HA 0.570 5.051 4.480 0.001 0.000 0.324 473 M C 0.015 176.154 176.300 -0.269 0.000 1.112 473 M CA 0.428 55.541 55.300 -0.312 0.000 1.176 473 M CB 1.166 33.494 32.600 -0.454 0.000 1.430 473 M HN 0.874 nan 8.290 nan 0.000 0.462 474 G N 0.285 108.989 108.800 -0.160 0.000 2.348 474 G HA2 0.551 4.512 3.960 0.001 0.000 0.296 474 G HA3 0.551 4.512 3.960 0.001 0.000 0.296 474 G C -1.915 172.966 174.900 -0.033 0.000 1.258 474 G CA -0.553 44.491 45.100 -0.094 0.000 0.868 474 G HN 1.083 nan 8.290 nan 0.000 0.488 475 A N -0.293 122.519 122.820 -0.013 0.000 2.440 475 A HA 0.528 4.848 4.320 0.001 0.000 0.251 475 A C 1.751 179.335 177.584 0.001 0.000 1.089 475 A CA 0.433 52.473 52.037 0.006 0.000 0.779 475 A CB 0.688 19.692 19.000 0.008 0.000 1.022 475 A HN 1.484 nan 8.150 nan 0.000 0.492 476 V N 1.924 121.844 119.914 0.011 0.000 2.418 476 V HA -0.234 3.887 4.120 0.001 0.000 0.258 476 V C 1.956 178.050 176.094 0.001 0.000 1.088 476 V CA 2.469 64.774 62.300 0.009 0.000 1.091 476 V CB -0.595 31.237 31.823 0.015 0.000 0.669 476 V HN 0.884 nan 8.190 nan 0.000 0.461 477 E N -0.908 119.292 120.200 0.001 0.000 2.481 477 E HA 0.060 4.411 4.350 0.001 0.000 0.198 477 E C 0.473 177.070 176.600 -0.005 0.000 1.027 477 E CA -0.097 56.302 56.400 -0.002 0.000 0.900 477 E CB 0.087 29.788 29.700 0.001 0.000 0.993 477 E HN 0.555 nan 8.360 nan 0.000 0.482 478 D N 1.431 121.826 120.400 -0.009 0.000 2.374 478 D HA -0.002 4.638 4.640 0.001 0.000 0.240 478 D C 0.861 177.152 176.300 -0.014 0.000 1.229 478 D CA 0.049 54.041 54.000 -0.014 0.000 0.895 478 D CB 0.884 41.670 40.800 -0.024 0.000 1.046 478 D HN -0.171 nan 8.370 nan 0.000 0.498 479 E N 2.577 122.771 120.200 -0.009 0.000 2.267 479 E HA -0.128 4.223 4.350 0.001 0.000 0.197 479 E C 1.287 177.886 176.600 -0.002 0.000 0.998 479 E CA 1.024 57.419 56.400 -0.008 0.000 0.830 479 E CB 0.133 29.829 29.700 -0.006 0.000 0.751 479 E HN 0.514 nan 8.360 nan 0.000 0.491 480 M N -0.133 119.471 119.600 0.006 0.000 2.428 480 M HA 0.155 4.635 4.480 0.001 0.000 0.239 480 M C -0.123 176.203 176.300 0.043 0.000 1.121 480 M CA 0.323 55.650 55.300 0.045 0.000 1.019 480 M CB 0.383 33.030 32.600 0.077 0.000 1.485 480 M HN -0.210 nan 8.290 nan 0.000 0.484 481 S N 1.159 116.848 115.700 -0.019 0.000 2.456 481 S HA 0.357 4.828 4.470 0.001 0.000 0.316 481 S C -1.806 172.768 174.600 -0.044 0.000 1.089 481 S CA -0.940 57.227 58.200 -0.055 0.000 1.101 481 S CB 1.819 64.965 63.200 -0.090 0.000 0.995 481 S HN 0.051 nan 8.310 nan 0.000 0.468 482 P HA 0.151 nan 4.420 nan 0.000 0.231 482 P C -0.402 176.870 177.300 -0.045 0.000 1.168 482 P CA 0.568 63.642 63.100 -0.044 0.000 0.779 482 P CB 0.205 31.876 31.700 -0.049 0.000 0.844 483 L N 0.096 121.280 121.223 -0.065 0.000 2.334 483 L HA 0.392 4.733 4.340 0.001 0.000 0.273 483 L C 0.367 177.209 176.870 -0.048 0.000 1.013 483 L CA -1.286 53.520 54.840 -0.057 0.000 0.816 483 L CB 1.169 43.174 42.059 -0.090 0.000 1.278 483 L HN -0.120 nan 8.230 nan 0.000 0.431 484 D N 1.203 121.596 120.400 -0.012 0.000 2.411 484 D HA 0.219 4.859 4.640 0.001 0.000 0.251 484 D C -2.206 174.116 176.300 0.036 0.000 1.201 484 D CA -2.176 51.830 54.000 0.011 0.000 0.996 484 D CB 0.304 41.121 40.800 0.030 0.000 1.101 484 D HN 0.137 nan 8.370 nan 0.000 0.504 485 P HA -0.082 nan 4.420 nan 0.000 0.226 485 P C 0.176 177.676 177.300 0.333 0.000 1.146 485 P CA 1.035 64.255 63.100 0.201 0.000 0.773 485 P CB 0.013 31.846 31.700 0.221 0.000 0.772 486 E N -0.187 120.132 120.200 0.198 0.000 2.423 486 E HA 0.171 4.521 4.350 0.001 0.000 0.198 486 E C 0.572 177.270 176.600 0.163 0.000 1.038 486 E CA -0.239 56.282 56.400 0.202 0.000 1.011 486 E CB -0.383 29.388 29.700 0.119 0.000 1.118 486 E HN 0.200 nan 8.360 nan 0.000 0.451 487 L N -0.561 120.737 121.223 0.127 0.000 4.884 487 L HA -0.285 4.056 4.340 0.001 0.000 0.430 487 L C 0.288 177.178 176.870 0.033 0.000 1.087 487 L CA 0.918 55.788 54.840 0.051 0.000 1.033 487 L CB -1.640 40.472 42.059 0.088 0.000 2.030 487 L HN 0.203 nan 8.230 nan 0.000 0.762 488 R N 0.579 121.106 120.500 0.045 0.000 2.390 488 R HA 0.469 4.809 4.340 0.001 0.000 0.291 488 R C 0.142 176.458 176.300 0.026 0.000 1.070 488 R CA -0.644 55.482 56.100 0.043 0.000 1.014 488 R CB 1.265 31.597 30.300 0.053 0.000 1.007 488 R HN -0.067 nan 8.270 nan 0.000 0.466 489 V N 4.535 124.469 119.914 0.033 0.000 2.450 489 V HA -0.031 4.090 4.120 0.001 0.000 0.281 489 V C 0.637 176.742 176.094 0.019 0.000 1.019 489 V CA 0.124 62.437 62.300 0.023 0.000 1.062 489 V CB -0.188 31.664 31.823 0.048 0.000 0.979 489 V HN 0.648 nan 8.190 nan 0.000 0.477 490 K N 3.394 123.794 120.400 -0.000 0.000 2.336 490 K HA 0.384 4.705 4.320 0.001 0.000 0.262 490 K C 1.387 177.975 176.600 -0.021 0.000 0.992 490 K CA 0.671 56.955 56.287 -0.006 0.000 0.927 490 K CB 0.098 32.590 32.500 -0.013 0.000 0.956 490 K HN 1.023 nan 8.250 nan 0.000 0.495 491 G N -0.692 108.094 108.800 -0.024 0.000 2.184 491 G HA2 -0.241 3.720 3.960 0.001 0.000 0.264 491 G HA3 -0.241 3.720 3.960 0.001 0.000 0.264 491 G C -0.166 174.701 174.900 -0.056 0.000 0.975 491 G CA 0.204 45.277 45.100 -0.044 0.000 0.642 491 G HN 0.407 nan 8.290 nan 0.000 0.536 492 V N -0.003 119.898 119.914 -0.021 0.000 3.147 492 V HA 0.835 4.956 4.120 0.001 0.000 0.306 492 V C 0.194 176.330 176.094 0.070 0.000 1.209 492 V CA 0.109 62.416 62.300 0.011 0.000 1.023 492 V CB 2.446 34.267 31.823 -0.002 0.000 1.059 492 V HN 0.975 nan 8.190 nan 0.000 0.435 493 T N -0.857 113.763 114.554 0.111 0.000 2.930 493 T HA 0.687 5.038 4.350 0.001 0.000 0.290 493 T C 0.767 175.540 174.700 0.122 0.000 1.052 493 T CA 0.055 62.214 62.100 0.097 0.000 1.017 493 T CB 1.623 70.533 68.868 0.070 0.000 1.137 493 T HN 2.240 nan 8.240 nan 0.000 0.511 494 G N -0.084 108.772 108.800 0.092 0.000 2.148 494 G HA2 -0.149 3.811 3.960 0.001 0.000 0.254 494 G HA3 -0.149 3.811 3.960 0.001 0.000 0.254 494 G C -0.333 174.615 174.900 0.081 0.000 0.981 494 G CA 0.332 45.480 45.100 0.079 0.000 0.670 494 G HN 1.058 nan 8.290 nan 0.000 0.528 495 L N 0.514 121.799 121.223 0.104 0.000 2.376 495 L HA 0.812 5.153 4.340 0.001 0.000 0.275 495 L C 0.055 176.971 176.870 0.078 0.000 0.987 495 L CA -1.153 53.745 54.840 0.096 0.000 0.828 495 L CB 1.286 43.442 42.059 0.162 0.000 1.249 495 L HN 0.214 nan 8.230 nan 0.000 0.409 496 R N 3.169 123.704 120.500 0.060 0.000 2.832 496 R HA 0.842 5.182 4.340 0.001 0.000 0.271 496 R C -1.449 174.864 176.300 0.021 0.000 0.996 496 R CA -1.039 55.086 56.100 0.043 0.000 0.977 496 R CB 2.478 32.806 30.300 0.047 0.000 1.168 496 R HN 0.410 nan 8.270 nan 0.000 0.482 497 V N 0.981 120.896 119.914 0.002 0.000 2.555 497 V HA 0.686 4.807 4.120 0.001 0.000 0.302 497 V C -0.636 175.442 176.094 -0.027 0.000 1.038 497 V CA -0.696 61.590 62.300 -0.023 0.000 0.887 497 V CB 1.689 33.481 31.823 -0.051 0.000 0.991 497 V HN 0.919 nan 8.190 nan 0.000 0.434 498 A N 4.020 126.822 122.820 -0.030 0.000 2.679 498 A HA 0.808 5.129 4.320 0.001 0.000 0.288 498 A C -0.846 176.715 177.584 -0.039 0.000 1.160 498 A CA -0.447 51.574 52.037 -0.026 0.000 0.763 498 A CB 0.672 19.672 19.000 -0.001 0.000 1.270 498 A HN 0.960 nan 8.150 nan 0.000 0.417 499 D N 0.612 120.979 120.400 -0.055 0.000 3.435 499 D HA 0.458 5.099 4.640 0.001 0.000 0.352 499 D C 0.771 177.028 176.300 -0.071 0.000 1.460 499 D CA 0.240 54.209 54.000 -0.053 0.000 0.935 499 D CB 0.299 41.064 40.800 -0.057 0.000 1.468 499 D HN 0.506 nan 8.370 nan 0.000 0.573 500 A N -0.420 122.356 122.820 -0.074 0.000 2.239 500 A HA 0.132 4.453 4.320 0.001 0.000 0.209 500 A C 1.641 179.123 177.584 -0.170 0.000 1.171 500 A CA 1.159 53.137 52.037 -0.098 0.000 0.768 500 A CB -0.895 18.058 19.000 -0.078 0.000 0.790 500 A HN 0.342 nan 8.150 nan 0.000 0.478 501 S N -0.400 115.199 115.700 -0.167 0.000 2.428 501 S HA -0.117 4.354 4.470 0.001 0.000 0.230 501 S C 1.995 176.449 174.600 -0.244 0.000 1.014 501 S CA 1.348 59.432 58.200 -0.192 0.000 0.957 501 S CB -0.401 62.704 63.200 -0.158 0.000 0.784 501 S HN 0.891 nan 8.310 nan 0.000 0.499 502 V N -0.033 119.717 119.914 -0.273 0.000 2.626 502 V HA 0.086 4.207 4.120 0.001 0.000 0.252 502 V C 0.787 176.536 176.094 -0.575 0.000 1.067 502 V CA 0.650 62.719 62.300 -0.384 0.000 1.081 502 V CB -0.997 30.585 31.823 -0.402 0.000 0.686 502 V HN 0.381 nan 8.190 nan 0.000 0.468 503 M N 1.517 120.772 119.600 -0.575 0.000 2.284 503 M HA 0.123 4.604 4.480 0.001 0.000 0.351 503 M C -1.332 174.499 176.300 -0.781 0.000 1.443 503 M CA -0.543 54.260 55.300 -0.828 0.000 1.031 503 M CB 0.486 32.813 32.600 -0.455 0.000 1.893 503 M HN 0.100 nan 8.290 nan 0.000 0.456 504 P HA -0.026 nan 4.420 nan 0.000 0.224 504 P C -0.366 176.444 177.300 -0.816 0.000 1.157 504 P CA 1.074 63.660 63.100 -0.855 0.000 0.799 504 P CB 0.348 31.510 31.700 -0.897 0.000 0.809 505 E N -1.807 117.996 120.200 -0.661 0.000 2.308 505 E HA 0.238 4.588 4.350 0.001 0.000 0.275 505 E C -0.726 175.899 176.600 0.041 0.000 0.890 505 E CA -0.859 55.371 56.400 -0.283 0.000 0.754 505 E CB 0.553 30.140 29.700 -0.188 0.000 1.207 505 E HN -0.098 nan 8.360 nan 0.000 0.426 506 H N 1.574 120.603 119.070 -0.068 0.000 2.871 506 H HA 0.194 4.751 4.556 0.001 0.000 0.377 506 H C -0.118 175.241 175.328 0.051 0.000 1.307 506 H CA 0.767 56.792 56.048 -0.037 0.000 1.449 506 H CB 0.595 30.256 29.762 -0.168 0.000 1.452 506 H HN 0.364 nan 8.280 nan 0.000 0.619 507 V N 0.195 120.361 119.914 0.420 0.000 2.834 507 V HA 0.258 4.378 4.120 0.001 0.000 0.313 507 V C 1.203 177.323 176.094 0.043 0.000 1.060 507 V CA -0.327 62.112 62.300 0.233 0.000 0.989 507 V CB 1.328 33.321 31.823 0.283 0.000 1.041 507 V HN 0.833 nan 8.190 nan 0.000 0.459 508 T N 1.440 116.071 114.554 0.127 0.000 2.833 508 T HA -0.023 4.327 4.350 0.001 0.000 0.269 508 T C 0.788 175.468 174.700 -0.034 0.000 1.054 508 T CA 1.684 63.864 62.100 0.133 0.000 1.135 508 T CB -0.419 68.537 68.868 0.147 0.000 0.869 508 T HN 1.059 nan 8.240 nan 0.000 0.466 509 V N -0.658 119.248 119.914 -0.014 0.000 3.193 509 V HA 0.465 4.586 4.120 0.001 0.000 0.320 509 V C -0.324 175.831 176.094 0.100 0.000 1.112 509 V CA -1.781 60.504 62.300 -0.026 0.000 1.026 509 V CB 0.971 32.673 31.823 -0.201 0.000 1.128 509 V HN 0.138 nan 8.190 nan 0.000 0.452 510 N N 2.575 121.377 118.700 0.170 0.000 2.412 510 N HA 0.145 4.886 4.740 0.001 0.000 0.258 510 N C -1.929 173.564 175.510 -0.028 0.000 1.236 510 N CA -0.484 52.539 53.050 -0.045 0.000 0.882 510 N CB 0.941 39.461 38.487 0.056 0.000 1.066 510 N HN 0.630 nan 8.380 nan 0.000 0.465 511 P HA -0.050 nan 4.420 nan 0.000 0.245 511 P C 0.860 178.204 177.300 0.073 0.000 1.206 511 P CA 0.545 63.685 63.100 0.067 0.000 0.781 511 P CB 0.187 31.970 31.700 0.138 0.000 0.994 512 N N 0.753 119.463 118.700 0.017 0.000 2.036 512 N HA -0.149 4.592 4.740 0.001 0.000 0.195 512 N C 1.526 177.083 175.510 0.078 0.000 1.037 512 N CA 1.311 54.381 53.050 0.034 0.000 0.855 512 N CB -0.119 38.366 38.487 -0.003 0.000 1.033 512 N HN -0.093 nan 8.380 nan 0.000 0.423 513 I N 1.144 121.775 120.570 0.101 0.000 2.361 513 I HA -0.163 4.008 4.170 0.001 0.000 0.251 513 I C 2.092 178.350 176.117 0.234 0.000 1.133 513 I CA 1.171 62.558 61.300 0.145 0.000 1.413 513 I CB -1.630 36.440 38.000 0.117 0.000 1.073 513 I HN 0.216 nan 8.210 nan 0.000 0.424 514 T N 0.950 115.660 114.554 0.260 0.000 2.867 514 T HA -0.049 4.301 4.350 0.001 0.000 0.268 514 T C 2.191 176.995 174.700 0.172 0.000 1.057 514 T CA 0.868 63.139 62.100 0.285 0.000 1.136 514 T CB -0.285 68.761 68.868 0.296 0.000 0.874 514 T HN 0.121 nan 8.240 nan 0.000 0.466 515 V N 1.590 121.587 119.914 0.139 0.000 2.358 515 V HA -0.158 3.963 4.120 0.001 0.000 0.246 515 V C 2.476 178.604 176.094 0.056 0.000 1.047 515 V CA 1.598 63.953 62.300 0.092 0.000 1.035 515 V CB -0.643 31.215 31.823 0.059 0.000 0.658 515 V HN 0.467 nan 8.190 nan 0.000 0.452 516 M N -1.022 118.611 119.600 0.054 0.000 2.159 516 M HA -0.194 4.286 4.480 0.001 0.000 0.263 516 M C 2.305 178.609 176.300 0.006 0.000 1.063 516 M CA 1.709 57.022 55.300 0.022 0.000 1.110 516 M CB -0.430 32.223 32.600 0.088 0.000 1.374 516 M HN 0.335 nan 8.290 nan 0.000 0.411 517 M N 0.984 120.585 119.600 0.001 0.000 2.080 517 M HA -0.203 4.278 4.480 0.001 0.000 0.260 517 M C 1.979 178.271 176.300 -0.013 0.000 1.068 517 M CA 2.031 57.261 55.300 -0.116 0.000 1.109 517 M CB -0.630 31.722 32.600 -0.414 0.000 1.342 517 M HN 0.245 nan 8.290 nan 0.000 0.405 518 I N 0.215 120.848 120.570 0.104 0.000 2.194 518 I HA -0.249 3.922 4.170 0.001 0.000 0.246 518 I C 2.578 178.766 176.117 0.118 0.000 1.093 518 I CA 1.488 62.925 61.300 0.228 0.000 1.355 518 I CB -1.100 37.015 38.000 0.192 0.000 1.046 518 I HN 0.435 nan 8.210 nan 0.000 0.413 519 G N 0.156 108.966 108.800 0.016 0.000 2.446 519 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 519 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 519 G C 1.540 176.400 174.900 -0.067 0.000 1.168 519 G CA 0.567 45.634 45.100 -0.056 0.000 0.771 519 G HN 0.299 nan 8.290 nan 0.000 0.551 520 E N 0.343 120.504 120.200 -0.064 0.000 2.049 520 E HA -0.200 4.151 4.350 0.001 0.000 0.198 520 E C 2.579 179.141 176.600 -0.064 0.000 1.007 520 E CA 1.319 57.683 56.400 -0.059 0.000 0.809 520 E CB -0.249 29.420 29.700 -0.051 0.000 0.749 520 E HN 0.298 nan 8.360 nan 0.000 0.450 521 R N 0.955 121.420 120.500 -0.058 0.000 2.120 521 R HA -0.099 4.242 4.340 0.001 0.000 0.234 521 R C 2.500 178.774 176.300 -0.043 0.000 1.123 521 R CA 1.409 57.445 56.100 -0.106 0.000 0.975 521 R CB -1.140 29.031 30.300 -0.214 0.000 0.866 521 R HN 0.306 nan 8.270 nan 0.000 0.446 522 C N -0.195 119.125 119.300 0.033 0.000 2.413 522 C HA -0.008 4.453 4.460 0.001 0.000 0.276 522 C C 2.682 177.651 174.990 -0.035 0.000 1.236 522 C CA 1.095 60.135 59.018 0.037 0.000 1.735 522 C CB -1.337 26.424 27.740 0.034 0.000 2.031 522 C HN 0.635 nan 8.230 nan 0.000 0.474 523 A N 0.660 123.438 122.820 -0.072 0.000 1.892 523 A HA -0.217 4.103 4.320 0.001 0.000 0.218 523 A C 1.847 179.375 177.584 -0.093 0.000 1.188 523 A CA 2.478 54.450 52.037 -0.108 0.000 0.631 523 A CB -0.913 18.023 19.000 -0.107 0.000 0.822 523 A HN 0.664 nan 8.150 nan 0.000 0.447 524 D N -0.011 120.343 120.400 -0.077 0.000 2.123 524 D HA -0.129 4.512 4.640 0.001 0.000 0.196 524 D C 1.857 178.120 176.300 -0.060 0.000 0.992 524 D CA 1.081 55.038 54.000 -0.072 0.000 0.833 524 D CB -0.449 40.298 40.800 -0.089 0.000 0.954 524 D HN 0.454 nan 8.370 nan 0.000 0.455 525 L N 0.185 121.375 121.223 -0.055 0.000 2.191 525 L HA -0.121 4.219 4.340 0.001 0.000 0.212 525 L C 2.324 179.187 176.870 -0.012 0.000 1.103 525 L CA 0.567 55.391 54.840 -0.027 0.000 0.769 525 L CB -0.153 41.911 42.059 0.008 0.000 0.908 525 L HN 0.054 nan 8.230 nan 0.000 0.438 526 I N -1.121 119.428 120.570 -0.035 0.000 2.206 526 I HA -0.196 3.975 4.170 0.001 0.000 0.239 526 I C 2.672 178.780 176.117 -0.015 0.000 1.078 526 I CA 0.711 61.992 61.300 -0.033 0.000 1.367 526 I CB -0.274 37.649 38.000 -0.129 0.000 1.078 526 I HN 0.123 nan 8.210 nan 0.000 0.413 527 R N 0.312 120.786 120.500 -0.043 0.000 2.133 527 R HA -0.245 4.095 4.340 0.001 0.000 0.245 527 R C 2.498 178.800 176.300 0.004 0.000 1.137 527 R CA 2.113 58.205 56.100 -0.014 0.000 0.947 527 R CB -0.931 29.352 30.300 -0.027 0.000 0.865 527 R HN 0.324 nan 8.270 nan 0.000 0.437 528 S N 0.163 115.859 115.700 -0.007 0.000 2.348 528 S HA -0.142 4.328 4.470 0.001 0.000 0.221 528 S C 2.126 176.734 174.600 0.013 0.000 1.033 528 S CA 1.307 59.506 58.200 -0.002 0.000 1.010 528 S CB -0.189 63.001 63.200 -0.015 0.000 0.891 528 S HN 0.468 nan 8.310 nan 0.000 0.442 529 A N 0.603 123.435 122.820 0.021 0.000 1.908 529 A HA 0.209 4.529 4.320 0.001 0.000 0.218 529 A C 1.222 178.831 177.584 0.042 0.000 1.181 529 A CA 1.621 53.678 52.037 0.033 0.000 0.627 529 A CB -0.302 18.724 19.000 0.044 0.000 0.818 529 A HN 0.616 nan 8.150 nan 0.000 0.445 530 R N 0.000 120.532 120.500 0.053 0.000 2.786 530 R HA 0.000 4.341 4.340 0.001 0.000 0.208 530 R CA 0.000 56.137 56.100 0.061 0.000 0.921 530 R CB 0.000 30.330 30.300 0.050 0.000 0.687 530 R HN 0.000 nan 8.270 nan 0.000 0.535