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 2vbf_1_A DATA FIRST_RESID -14 DATA SEQUENCE HSSGLXXXXX XXXXXMYTVG DYLLDRLHEL GIEEIFGVPG DYNLQFLDQI DATA SEQUENCE ISREDMKWIG NANELNASYM ADGYARTKKA AAFLTTFGVG ELSAINGLAG DATA SEQUENCE SYAENLPVVE IVGSPTSKVQ NDGKFVHHTL ADGDFKHFMK MHEPVTAART DATA SEQUENCE LLTAENATYE IDRVLSQLLK ERKPVYINLP VDVAAAKAEK PALSLEXXXX DATA SEQUENCE XXNTTEQVIL SKIEESLKNA QKPVVIAGHE VISFGLEKTV TQFVSETKLP DATA SEQUENCE ITTLNFGKSA VDESLPSFLG IYNGKLSEIS LKNFVESADF ILMLGVKLTD DATA SEQUENCE SSTGAFTHHL DENKMISLNI DEGIIFNKVV EDFDFRAVVS SLSELKGIEY DATA SEQUENCE EGQYIDKQYE EFIPSSAPLS QDRLWQAVES LTQSNETIVA EQGTSFFGAS DATA SEQUENCE TIFLKSNSRF IGQPLWGSIG YTFPAALGSQ IADKESRHLL FIGDGSLQLT DATA SEQUENCE VQELGLSIRE KLNPICFIIN NDGYTVEREI HGPTQSYNDI PMWNYSKLPE DATA SEQUENCE TFGATEDRVV SKIVRTENEF VSVMKEAQAD VNRMYWIELV LEKEDAPKLL DATA SEQUENCE KKMGKLFAEQ NK 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 -14 H HA 0.000 nan 4.556 nan 0.000 0.296 -14 H C 0.000 175.330 175.328 0.003 0.000 0.993 -14 H CA 0.000 56.049 56.048 0.001 0.000 1.023 -14 H CB 0.000 29.762 29.762 0.001 0.000 1.292 -13 S N 1.384 117.167 115.700 0.138 0.000 2.374 -13 S HA -0.194 4.275 4.470 -0.001 0.000 0.227 -13 S C 1.947 176.583 174.600 0.060 0.000 1.037 -13 S CA 2.278 60.521 58.200 0.072 0.000 1.024 -13 S CB -0.057 63.171 63.200 0.046 0.000 0.861 -13 S HN 0.680 nan 8.310 nan 0.000 0.456 -12 S N -0.146 115.592 115.700 0.064 0.000 2.474 -12 S HA 0.190 4.660 4.470 -0.001 0.000 0.235 -12 S C 1.701 176.333 174.600 0.054 0.000 0.997 -12 S CA 1.228 59.455 58.200 0.045 0.000 0.949 -12 S CB -0.821 62.395 63.200 0.026 0.000 0.766 -12 S HN 1.401 nan 8.310 nan 0.000 0.517 -11 G N 0.538 109.384 108.800 0.076 0.000 2.157 -11 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.248 -11 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.248 -11 G C 0.015 174.952 174.900 0.062 0.000 0.979 -11 G CA 0.341 45.475 45.100 0.056 0.000 0.650 -11 G HN 0.522 nan 8.290 nan 0.000 0.529 2 Y N 3.655 123.968 120.300 0.022 0.000 2.359 2 Y HA 0.559 5.108 4.550 -0.001 0.000 0.330 2 Y C 0.177 176.103 175.900 0.043 0.000 1.143 2 Y CA 1.319 59.442 58.100 0.037 0.000 1.318 2 Y CB 0.884 39.373 38.460 0.047 0.000 1.234 2 Y HN 0.674 nan 8.280 nan 0.000 0.522 3 T N 0.896 115.281 114.554 -0.281 0.000 2.907 3 T HA 0.329 4.679 4.350 -0.001 0.000 0.290 3 T C 0.630 175.229 174.700 -0.167 0.000 1.066 3 T CA -0.639 61.376 62.100 -0.142 0.000 1.012 3 T CB 1.020 69.823 68.868 -0.107 0.000 1.184 3 T HN 0.391 nan 8.240 nan 0.000 0.522 4 V N 1.408 121.279 119.914 -0.071 0.000 2.332 4 V HA -0.045 4.075 4.120 -0.001 0.000 0.248 4 V C 2.905 178.987 176.094 -0.019 0.000 1.055 4 V CA 2.603 64.871 62.300 -0.053 0.000 1.038 4 V CB -1.507 30.253 31.823 -0.104 0.000 0.651 4 V HN 1.110 nan 8.190 nan 0.000 0.450 5 G N -0.135 108.655 108.800 -0.016 0.000 2.476 5 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.218 5 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.218 5 G C 1.255 176.217 174.900 0.103 0.000 1.164 5 G CA 1.146 46.333 45.100 0.146 0.000 0.768 5 G HN 0.528 nan 8.290 nan 0.000 0.560 6 D N -0.501 119.812 120.400 -0.145 0.000 2.117 6 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 6 D C 1.963 178.154 176.300 -0.181 0.000 0.987 6 D CA 0.929 54.737 54.000 -0.319 0.000 0.829 6 D CB -0.327 39.948 40.800 -0.875 0.000 0.961 6 D HN 0.428 nan 8.370 nan 0.000 0.460 7 Y N 1.229 121.382 120.300 -0.244 0.000 2.128 7 Y HA -0.241 4.309 4.550 -0.001 0.000 0.284 7 Y C 2.312 178.260 175.900 0.081 0.000 1.154 7 Y CA 1.129 59.281 58.100 0.086 0.000 1.149 7 Y CB -0.290 38.247 38.460 0.129 0.000 0.976 7 Y HN -0.093 nan 8.280 nan 0.000 0.505 8 L N 0.232 121.610 121.223 0.258 0.000 2.012 8 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 8 L C 2.077 179.037 176.870 0.149 0.000 1.073 8 L CA 1.820 56.770 54.840 0.183 0.000 0.748 8 L CB -0.983 41.141 42.059 0.108 0.000 0.891 8 L HN 0.354 nan 8.230 nan 0.000 0.431 9 L N -0.898 120.421 121.223 0.159 0.000 2.093 9 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 9 L C 2.232 179.157 176.870 0.092 0.000 1.085 9 L CA 1.042 55.955 54.840 0.122 0.000 0.755 9 L CB -0.773 41.327 42.059 0.067 0.000 0.904 9 L HN 0.261 nan 8.230 nan 0.000 0.435 10 D N -0.156 120.280 120.400 0.060 0.000 2.097 10 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 10 D C 2.388 178.722 176.300 0.058 0.000 0.989 10 D CA 0.923 54.958 54.000 0.058 0.000 0.827 10 D CB -0.054 40.765 40.800 0.032 0.000 0.966 10 D HN 0.065 nan 8.370 nan 0.000 0.456 11 R N 0.319 120.812 120.500 -0.012 0.000 2.081 11 R HA -0.006 4.333 4.340 -0.001 0.000 0.235 11 R C 2.563 178.895 176.300 0.055 0.000 1.131 11 R CA 0.337 56.435 56.100 -0.003 0.000 0.960 11 R CB -1.019 29.279 30.300 -0.005 0.000 0.856 11 R HN 0.323 nan 8.270 nan 0.000 0.436 12 L N -0.542 120.733 121.223 0.086 0.000 2.046 12 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 12 L C 2.539 179.472 176.870 0.104 0.000 1.077 12 L CA 1.699 56.596 54.840 0.096 0.000 0.747 12 L CB -0.697 41.429 42.059 0.111 0.000 0.896 12 L HN 0.248 nan 8.230 nan 0.000 0.432 13 H N 0.572 119.664 119.070 0.038 0.000 2.352 13 H HA -0.201 4.354 4.556 -0.001 0.000 0.299 13 H C 2.114 177.462 175.328 0.034 0.000 1.097 13 H CA 2.019 58.088 56.048 0.036 0.000 1.311 13 H CB 0.053 29.830 29.762 0.026 0.000 1.377 13 H HN 0.312 nan 8.280 nan 0.000 0.504 14 E N 0.014 120.191 120.200 -0.038 0.000 2.160 14 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 14 E C 2.026 178.575 176.600 -0.084 0.000 0.991 14 E CA 1.150 57.498 56.400 -0.085 0.000 0.810 14 E CB -0.059 29.639 29.700 -0.003 0.000 0.742 14 E HN 0.537 nan 8.360 nan 0.000 0.466 15 L N -0.462 120.741 121.223 -0.034 0.000 2.622 15 L HA 0.034 4.374 4.340 -0.001 0.000 0.233 15 L C 1.467 178.331 176.870 -0.010 0.000 1.156 15 L CA 0.528 55.365 54.840 -0.005 0.000 0.866 15 L CB -0.157 41.922 42.059 0.035 0.000 0.980 15 L HN 0.331 nan 8.230 nan 0.000 0.448 16 G N 0.500 109.261 108.800 -0.066 0.000 2.157 16 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.239 16 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.239 16 G C 0.214 175.147 174.900 0.054 0.000 0.982 16 G CA -0.365 44.706 45.100 -0.049 0.000 0.650 16 G HN 0.271 nan 8.290 nan 0.000 0.527 17 I N 0.827 121.457 120.570 0.100 0.000 2.452 17 I HA 0.283 4.452 4.170 -0.001 0.000 0.287 17 I C 1.180 177.392 176.117 0.158 0.000 1.079 17 I CA 0.190 61.607 61.300 0.195 0.000 1.387 17 I CB 0.970 39.058 38.000 0.146 0.000 1.404 17 I HN 0.189 nan 8.210 nan 0.000 0.522 18 E N 4.031 124.353 120.200 0.202 0.000 2.562 18 E HA 0.161 4.510 4.350 -0.001 0.000 0.214 18 E C -0.566 176.047 176.600 0.022 0.000 0.979 18 E CA 0.065 56.547 56.400 0.135 0.000 1.002 18 E CB 0.787 30.581 29.700 0.156 0.000 1.048 18 E HN 0.558 nan 8.360 nan 0.000 0.488 19 E N 0.536 120.661 120.200 -0.125 0.000 2.321 19 E HA 0.435 4.784 4.350 -0.001 0.000 0.278 19 E C -1.256 174.940 176.600 -0.675 0.000 0.902 19 E CA -0.299 55.842 56.400 -0.432 0.000 0.758 19 E CB 2.416 31.775 29.700 -0.569 0.000 1.213 19 E HN -0.034 nan 8.360 nan 0.000 0.426 20 I N 3.384 123.589 120.570 -0.607 0.000 2.465 20 I HA 0.448 4.618 4.170 -0.001 0.000 0.291 20 I C -0.726 174.951 176.117 -0.733 0.000 1.014 20 I CA -0.754 60.276 61.300 -0.449 0.000 1.093 20 I CB 0.788 38.795 38.000 0.012 0.000 1.267 20 I HN 0.372 nan 8.210 nan 0.000 0.431 21 F N 3.043 122.857 119.950 -0.227 0.000 2.410 21 F HA 0.876 5.402 4.527 -0.001 0.000 0.324 21 F C 1.085 176.738 175.800 -0.246 0.000 1.093 21 F CA -0.121 57.644 58.000 -0.393 0.000 1.028 21 F CB 1.258 40.107 39.000 -0.251 0.000 1.309 21 F HN 0.606 nan 8.300 nan 0.000 0.499 22 G N -0.719 108.043 108.800 -0.063 0.000 2.278 22 G HA2 0.322 4.282 3.960 -0.001 0.000 0.265 22 G HA3 0.322 4.282 3.960 -0.001 0.000 0.265 22 G C -2.328 172.769 174.900 0.328 0.000 1.329 22 G CA -0.733 44.533 45.100 0.277 0.000 1.017 22 G HN 0.688 nan 8.290 nan 0.000 0.472 23 V N 1.453 121.658 119.914 0.485 0.000 2.733 23 V HA 0.614 4.733 4.120 -0.001 0.000 0.306 23 V C -2.280 174.017 176.094 0.338 0.000 1.084 23 V CA -1.125 61.408 62.300 0.389 0.000 0.905 23 V CB 2.277 34.228 31.823 0.213 0.000 1.010 23 V HN 0.712 nan 8.190 nan 0.000 0.424 24 P HA 0.530 nan 4.420 nan 0.000 0.272 24 P C -0.065 177.293 177.300 0.096 0.000 1.230 24 P CA 0.126 63.282 63.100 0.094 0.000 0.788 24 P CB 0.880 32.593 31.700 0.022 0.000 0.949 25 G N 0.175 109.020 108.800 0.075 0.000 2.677 25 G HA2 0.305 4.264 3.960 -0.001 0.000 0.291 25 G HA3 0.305 4.264 3.960 -0.001 0.000 0.291 25 G C 0.161 175.082 174.900 0.035 0.000 1.435 25 G CA -0.540 44.609 45.100 0.081 0.000 0.826 25 G HN 0.454 nan 8.290 nan 0.000 0.491 26 D N -0.639 119.736 120.400 -0.041 0.000 2.221 26 D HA -0.196 4.444 4.640 -0.001 0.000 0.204 26 D C 1.032 177.349 176.300 0.028 0.000 0.982 26 D CA 1.320 55.280 54.000 -0.065 0.000 0.857 26 D CB -0.127 40.597 40.800 -0.126 0.000 0.934 26 D HN 0.337 nan 8.370 nan 0.000 0.475 27 Y N 1.089 121.475 120.300 0.144 0.000 2.578 27 Y HA 0.064 4.613 4.550 -0.001 0.000 0.297 27 Y C 1.244 177.183 175.900 0.064 0.000 1.176 27 Y CA 0.681 58.836 58.100 0.091 0.000 1.315 27 Y CB -0.662 37.873 38.460 0.126 0.000 1.031 27 Y HN 0.255 nan 8.280 nan 0.000 0.524 28 N N -1.723 117.087 118.700 0.184 0.000 2.143 28 N HA 0.059 4.798 4.740 -0.001 0.000 0.229 28 N C 0.728 176.270 175.510 0.054 0.000 1.294 28 N CA 0.135 53.265 53.050 0.133 0.000 0.883 28 N CB -0.842 37.732 38.487 0.144 0.000 1.148 28 N HN 0.222 nan 8.380 nan 0.000 0.511 29 L N -0.019 121.213 121.223 0.015 0.000 2.093 29 L HA -0.010 4.330 4.340 -0.001 0.000 0.208 29 L C 2.421 179.254 176.870 -0.061 0.000 1.085 29 L CA 1.179 55.983 54.840 -0.059 0.000 0.755 29 L CB -0.374 41.656 42.059 -0.049 0.000 0.904 29 L HN 0.293 nan 8.230 nan 0.000 0.435 30 Q N -0.640 119.159 119.800 -0.003 0.000 2.079 30 Q HA -0.225 4.115 4.340 -0.001 0.000 0.200 30 Q C 2.203 178.214 176.000 0.019 0.000 0.974 30 Q CA 1.694 57.496 55.803 -0.001 0.000 0.840 30 Q CB -0.121 28.629 28.738 0.020 0.000 0.898 30 Q HN 0.385 nan 8.270 nan 0.000 0.430 31 F N 0.987 120.878 119.950 -0.097 0.000 2.171 31 F HA -0.212 4.315 4.527 -0.001 0.000 0.300 31 F C 1.865 177.573 175.800 -0.153 0.000 1.090 31 F CA 0.804 58.739 58.000 -0.109 0.000 1.293 31 F CB -0.262 38.682 39.000 -0.092 0.000 1.013 31 F HN 0.034 nan 8.300 nan 0.000 0.486 32 L N 0.452 121.483 121.223 -0.321 0.000 2.043 32 L HA -0.264 4.076 4.340 -0.001 0.000 0.212 32 L C 2.092 178.705 176.870 -0.428 0.000 1.075 32 L CA 2.017 56.538 54.840 -0.531 0.000 0.752 32 L CB -1.455 40.269 42.059 -0.557 0.000 0.891 32 L HN 0.163 nan 8.230 nan 0.000 0.432 33 D N -0.578 119.657 120.400 -0.275 0.000 2.158 33 D HA -0.224 4.416 4.640 -0.001 0.000 0.197 33 D C 2.248 178.423 176.300 -0.208 0.000 0.995 33 D CA 1.060 54.940 54.000 -0.200 0.000 0.846 33 D CB -0.030 40.694 40.800 -0.126 0.000 0.941 33 D HN 0.490 nan 8.370 nan 0.000 0.456 34 Q N -0.113 119.537 119.800 -0.250 0.000 2.119 34 Q HA -0.044 4.295 4.340 -0.001 0.000 0.201 34 Q C 2.495 178.325 176.000 -0.284 0.000 0.972 34 Q CA 0.623 56.284 55.803 -0.235 0.000 0.847 34 Q CB 0.067 28.684 28.738 -0.202 0.000 0.903 34 Q HN 0.368 nan 8.270 nan 0.000 0.433 35 I N 0.533 120.846 120.570 -0.430 0.000 2.226 35 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 35 I C 2.047 178.059 176.117 -0.174 0.000 1.100 35 I CA 0.747 61.853 61.300 -0.325 0.000 1.374 35 I CB -0.263 37.516 38.000 -0.368 0.000 1.057 35 I HN 0.225 nan 8.210 nan 0.000 0.413 36 I N 0.461 120.921 120.570 -0.183 0.000 2.286 36 I HA -0.230 3.940 4.170 -0.001 0.000 0.248 36 I C 2.552 178.622 176.117 -0.079 0.000 1.115 36 I CA 1.538 62.776 61.300 -0.103 0.000 1.392 36 I CB -1.163 36.766 38.000 -0.119 0.000 1.065 36 I HN 0.156 nan 8.210 nan 0.000 0.418 37 S N 0.423 116.064 115.700 -0.097 0.000 2.481 37 S HA 0.004 4.474 4.470 -0.001 0.000 0.231 37 S C 0.915 175.480 174.600 -0.058 0.000 0.996 37 S CA 0.156 58.314 58.200 -0.070 0.000 0.942 37 S CB -0.094 63.062 63.200 -0.073 0.000 0.768 37 S HN 0.308 nan 8.310 nan 0.000 0.520 38 R N 2.743 123.202 120.500 -0.069 0.000 2.570 38 R HA 0.020 4.360 4.340 -0.001 0.000 0.277 38 R C 1.371 177.647 176.300 -0.039 0.000 1.039 38 R CA 0.089 56.155 56.100 -0.057 0.000 1.065 38 R CB 0.164 30.427 30.300 -0.062 0.000 0.964 38 R HN 0.499 nan 8.270 nan 0.000 0.428 39 E N 1.822 122.001 120.200 -0.035 0.000 2.285 39 E HA -0.137 4.213 4.350 -0.001 0.000 0.194 39 E C 0.079 176.669 176.600 -0.017 0.000 0.997 39 E CA 0.927 57.314 56.400 -0.022 0.000 0.845 39 E CB 0.134 29.825 29.700 -0.016 0.000 0.782 39 E HN 0.580 nan 8.360 nan 0.000 0.491 40 D N 0.089 120.471 120.400 -0.031 0.000 2.402 40 D HA 0.192 4.831 4.640 -0.001 0.000 0.216 40 D C 0.297 176.621 176.300 0.039 0.000 1.128 40 D CA -0.246 53.752 54.000 -0.004 0.000 0.833 40 D CB 0.104 40.848 40.800 -0.092 0.000 0.971 40 D HN 0.068 nan 8.370 nan 0.000 0.503 41 M N 0.303 119.910 119.600 0.011 0.000 2.371 41 M HA 0.288 4.767 4.480 -0.001 0.000 0.287 41 M C -1.836 174.457 176.300 -0.012 0.000 1.149 41 M CA -0.579 54.726 55.300 0.008 0.000 0.929 41 M CB 3.082 35.682 32.600 0.000 0.000 1.683 41 M HN -0.242 nan 8.290 nan 0.000 0.470 42 K N 3.547 123.926 120.400 -0.034 0.000 2.292 42 K HA 0.285 4.605 4.320 -0.001 0.000 0.257 42 K C -1.496 175.078 176.600 -0.042 0.000 0.940 42 K CA -0.587 55.682 56.287 -0.030 0.000 0.811 42 K CB 1.612 34.081 32.500 -0.052 0.000 1.120 42 K HN 0.809 nan 8.250 nan 0.000 0.428 43 W N 7.632 128.835 121.300 -0.163 0.000 2.304 43 W HA 0.245 4.904 4.660 -0.001 0.000 0.313 43 W C -1.180 175.249 176.519 -0.150 0.000 1.323 43 W CA -0.383 56.860 57.345 -0.170 0.000 1.223 43 W CB 0.405 29.790 29.460 -0.126 0.000 1.237 43 W HN 0.449 nan 8.180 nan 0.000 0.535 44 I N 7.319 127.336 120.570 -0.920 0.000 2.464 44 I HA 0.193 4.362 4.170 -0.001 0.000 0.277 44 I C 0.852 176.392 176.117 -0.963 0.000 1.040 44 I CA -0.587 60.283 61.300 -0.716 0.000 1.153 44 I CB 0.737 38.481 38.000 -0.426 0.000 1.274 44 I HN 0.439 nan 8.210 nan 0.000 0.469 45 G N 4.409 112.668 108.800 -0.901 0.000 2.403 45 G HA2 0.278 4.237 3.960 -0.001 0.000 0.259 45 G HA3 0.278 4.237 3.960 -0.001 0.000 0.259 45 G C -0.351 174.437 174.900 -0.185 0.000 1.244 45 G CA -0.235 44.553 45.100 -0.519 0.000 0.849 45 G HN 0.590 nan 8.290 nan 0.000 0.532 46 N N 0.244 118.886 118.700 -0.096 0.000 2.482 46 N HA 0.494 5.233 4.740 -0.001 0.000 0.279 46 N C 1.356 176.878 175.510 0.021 0.000 1.182 46 N CA -0.028 52.997 53.050 -0.041 0.000 0.969 46 N CB 1.609 40.060 38.487 -0.060 0.000 1.201 46 N HN 0.451 nan 8.380 nan 0.000 0.523 47 A N 0.457 123.291 122.820 0.025 0.000 1.873 47 A HA -0.072 4.248 4.320 -0.001 0.000 0.215 47 A C 0.490 178.105 177.584 0.051 0.000 1.186 47 A CA 1.553 53.621 52.037 0.052 0.000 0.616 47 A CB -0.734 18.312 19.000 0.078 0.000 0.823 47 A HN 0.856 nan 8.150 nan 0.000 0.442 48 N N -2.657 116.063 118.700 0.033 0.000 2.571 48 N HA 0.425 5.164 4.740 -0.001 0.000 0.273 48 N C -0.360 175.146 175.510 -0.007 0.000 1.340 48 N CA -0.376 52.689 53.050 0.025 0.000 0.789 48 N CB 0.732 39.235 38.487 0.026 0.000 1.514 48 N HN -0.060 nan 8.380 nan 0.000 0.499 49 E N -0.316 119.884 120.200 -0.000 0.000 2.107 49 E HA 0.010 4.360 4.350 -0.001 0.000 0.191 49 E C 1.385 177.903 176.600 -0.136 0.000 0.982 49 E CA 0.567 56.964 56.400 -0.005 0.000 0.809 49 E CB -0.183 29.557 29.700 0.066 0.000 0.756 49 E HN 0.524 nan 8.360 nan 0.000 0.459 50 L N 1.288 122.410 121.223 -0.169 0.000 2.012 50 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 50 L C 1.372 177.919 176.870 -0.538 0.000 1.073 50 L CA 1.788 56.409 54.840 -0.365 0.000 0.748 50 L CB -0.534 41.343 42.059 -0.302 0.000 0.891 50 L HN 0.062 nan 8.230 nan 0.000 0.431 51 N N 0.189 118.724 118.700 -0.274 0.000 2.166 51 N HA -0.136 4.604 4.740 -0.001 0.000 0.186 51 N C 1.864 177.218 175.510 -0.260 0.000 1.019 51 N CA 1.541 54.491 53.050 -0.167 0.000 0.856 51 N CB -0.632 37.823 38.487 -0.054 0.000 0.993 51 N HN 0.527 nan 8.380 nan 0.000 0.426 52 A N 0.900 123.547 122.820 -0.288 0.000 1.908 52 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 52 A C 2.457 179.623 177.584 -0.697 0.000 1.181 52 A CA 2.370 54.188 52.037 -0.364 0.000 0.627 52 A CB -0.956 17.953 19.000 -0.152 0.000 0.818 52 A HN 0.487 nan 8.150 nan 0.000 0.445 53 S N -1.429 113.735 115.700 -0.893 0.000 2.368 53 S HA -0.188 4.282 4.470 -0.001 0.000 0.224 53 S C 1.938 176.322 174.600 -0.360 0.000 1.029 53 S CA 1.487 59.048 58.200 -1.064 0.000 0.988 53 S CB -0.793 61.982 63.200 -0.708 0.000 0.838 53 S HN 0.497 nan 8.310 nan 0.000 0.462 54 Y N 1.341 121.495 120.300 -0.243 0.000 2.181 54 Y HA 0.066 4.615 4.550 -0.001 0.000 0.288 54 Y C 2.672 178.408 175.900 -0.273 0.000 1.146 54 Y CA 0.694 58.732 58.100 -0.103 0.000 1.164 54 Y CB -1.013 37.383 38.460 -0.108 0.000 0.982 54 Y HN 0.341 nan 8.280 nan 0.000 0.515 55 M N -0.473 118.960 119.600 -0.278 0.000 2.117 55 M HA -0.164 4.316 4.480 -0.001 0.000 0.262 55 M C 2.331 178.306 176.300 -0.542 0.000 1.065 55 M CA 1.910 56.877 55.300 -0.555 0.000 1.114 55 M CB -0.173 31.889 32.600 -0.897 0.000 1.361 55 M HN 0.205 nan 8.290 nan 0.000 0.408 56 A N 0.075 122.640 122.820 -0.425 0.000 1.908 56 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 56 A C 1.910 179.575 177.584 0.135 0.000 1.181 56 A CA 2.145 54.164 52.037 -0.031 0.000 0.627 56 A CB -1.117 17.979 19.000 0.159 0.000 0.818 56 A HN 0.670 nan 8.150 nan 0.000 0.445 57 D N -0.259 120.210 120.400 0.116 0.000 2.092 57 D HA -0.119 4.521 4.640 -0.001 0.000 0.193 57 D C 2.123 178.554 176.300 0.218 0.000 0.994 57 D CA 1.794 55.926 54.000 0.221 0.000 0.828 57 D CB -0.573 40.432 40.800 0.341 0.000 0.963 57 D HN 0.314 nan 8.370 nan 0.000 0.450 58 G N -0.635 108.245 108.800 0.134 0.000 2.469 58 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.219 58 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.219 58 G C 1.703 176.681 174.900 0.130 0.000 1.150 58 G CA 1.061 46.211 45.100 0.082 0.000 0.763 58 G HN 0.421 nan 8.290 nan 0.000 0.561 59 Y N 1.865 122.167 120.300 0.003 0.000 2.165 59 Y HA -0.039 4.511 4.550 -0.001 0.000 0.286 59 Y C 2.959 178.926 175.900 0.112 0.000 1.155 59 Y CA 1.614 59.765 58.100 0.085 0.000 1.164 59 Y CB -0.205 38.377 38.460 0.204 0.000 0.978 59 Y HN 0.260 nan 8.280 nan 0.000 0.513 60 A N 0.474 123.485 122.820 0.319 0.000 1.933 60 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 60 A C 2.215 179.869 177.584 0.116 0.000 1.175 60 A CA 1.706 53.873 52.037 0.216 0.000 0.628 60 A CB -0.618 18.508 19.000 0.210 0.000 0.814 60 A HN 0.536 nan 8.150 nan 0.000 0.444 61 R N -1.155 119.421 120.500 0.127 0.000 2.159 61 R HA -0.089 4.250 4.340 -0.001 0.000 0.237 61 R C 1.785 178.126 176.300 0.069 0.000 1.131 61 R CA 1.813 57.979 56.100 0.110 0.000 0.982 61 R CB -0.333 30.055 30.300 0.145 0.000 0.868 61 R HN 0.535 nan 8.270 nan 0.000 0.453 62 T N -0.428 114.143 114.554 0.027 0.000 3.071 62 T HA 0.036 4.385 4.350 -0.001 0.000 0.239 62 T C 1.491 176.143 174.700 -0.080 0.000 0.997 62 T CA 0.458 62.551 62.100 -0.012 0.000 1.134 62 T CB 0.204 69.074 68.868 0.003 0.000 0.928 62 T HN -0.031 nan 8.240 nan 0.000 0.453 63 K N 0.988 121.273 120.400 -0.191 0.000 2.296 63 K HA 0.058 4.378 4.320 -0.001 0.000 0.200 63 K C 0.401 176.965 176.600 -0.060 0.000 1.048 63 K CA 0.735 56.889 56.287 -0.220 0.000 0.966 63 K CB 0.219 32.394 32.500 -0.542 0.000 0.754 63 K HN -0.079 nan 8.250 nan 0.000 0.466 64 K N -2.461 117.934 120.400 -0.008 0.000 3.467 64 K HA -0.175 4.144 4.320 -0.001 0.000 0.309 64 K C -0.738 175.883 176.600 0.035 0.000 1.350 64 K CA 1.090 57.388 56.287 0.017 0.000 0.934 64 K CB -2.510 29.995 32.500 0.009 0.000 1.312 64 K HN 0.290 nan 8.250 nan 0.000 0.461 65 A N -0.759 122.119 122.820 0.096 0.000 2.605 65 A HA 0.865 5.184 4.320 -0.001 0.000 0.294 65 A C -1.445 176.319 177.584 0.299 0.000 1.062 65 A CA -0.016 52.108 52.037 0.145 0.000 0.682 65 A CB 1.748 20.811 19.000 0.105 0.000 1.278 65 A HN 0.792 nan 8.150 nan 0.000 0.410 66 A N -0.309 122.679 122.820 0.280 0.000 2.609 66 A HA 1.067 5.387 4.320 -0.001 0.000 0.291 66 A C -0.598 177.119 177.584 0.221 0.000 1.096 66 A CA -0.016 52.217 52.037 0.327 0.000 0.684 66 A CB 1.126 20.378 19.000 0.421 0.000 1.282 66 A HN 2.691 nan 8.150 nan 0.000 0.412 67 A N 0.149 123.078 122.820 0.182 0.000 2.486 67 A HA 0.897 5.217 4.320 -0.001 0.000 0.300 67 A C -0.931 176.835 177.584 0.303 0.000 1.048 67 A CA -0.332 51.815 52.037 0.183 0.000 0.696 67 A CB 0.790 19.852 19.000 0.103 0.000 1.278 67 A HN 2.092 nan 8.150 nan 0.000 0.405 68 F N 0.389 120.418 119.950 0.133 0.000 2.613 68 F HA 0.866 5.393 4.527 -0.001 0.000 0.314 68 F C -1.514 174.394 175.800 0.180 0.000 1.075 68 F CA -1.420 56.679 58.000 0.164 0.000 0.945 68 F CB 1.533 40.633 39.000 0.168 0.000 1.310 68 F HN 0.528 nan 8.300 nan 0.000 0.467 69 L N 2.834 124.248 121.223 0.318 0.000 2.362 69 L HA 0.822 5.162 4.340 -0.001 0.000 0.275 69 L C -0.440 176.606 176.870 0.293 0.000 0.998 69 L CA 0.062 55.048 54.840 0.244 0.000 0.820 69 L CB 1.841 44.149 42.059 0.414 0.000 1.270 69 L HN 1.052 nan 8.230 nan 0.000 0.415 70 T N 0.025 114.663 114.554 0.140 0.000 2.864 70 T HA 0.592 4.942 4.350 -0.001 0.000 0.289 70 T C -0.230 174.560 174.700 0.150 0.000 1.082 70 T CA -0.654 61.553 62.100 0.178 0.000 1.009 70 T CB 1.531 70.498 68.868 0.165 0.000 1.234 70 T HN 0.594 nan 8.240 nan 0.000 0.526 71 T N 0.478 115.134 114.554 0.170 0.000 2.902 71 T HA 0.521 4.871 4.350 -0.001 0.000 0.283 71 T C -0.580 174.285 174.700 0.275 0.000 1.009 71 T CA -0.698 61.558 62.100 0.260 0.000 1.051 71 T CB 0.082 69.115 68.868 0.274 0.000 0.999 71 T HN 0.514 nan 8.240 nan 0.000 0.474 72 F N 3.720 123.836 119.950 0.277 0.000 2.604 72 F HA 0.280 4.806 4.527 -0.001 0.000 0.390 72 F C 1.519 177.422 175.800 0.171 0.000 1.053 72 F CA 1.999 60.154 58.000 0.259 0.000 1.256 72 F CB -0.232 38.940 39.000 0.288 0.000 0.996 72 F HN 0.924 nan 8.300 nan 0.000 0.564 73 G N 3.707 112.122 108.800 -0.641 0.000 5.206 73 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.328 73 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.328 73 G C 1.083 175.643 174.900 -0.567 0.000 1.382 73 G CA 1.297 45.816 45.100 -0.967 0.000 0.994 73 G HN 1.585 nan 8.290 nan 0.000 0.800 74 V N -0.021 119.654 119.914 -0.399 0.000 2.427 74 V HA 0.318 4.437 4.120 -0.001 0.000 0.248 74 V C 2.715 178.693 176.094 -0.192 0.000 1.051 74 V CA 2.604 64.710 62.300 -0.324 0.000 1.048 74 V CB -1.320 30.247 31.823 -0.427 0.000 0.666 74 V HN 1.502 nan 8.190 nan 0.000 0.456 75 G N 1.537 110.257 108.800 -0.133 0.000 2.424 75 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.214 75 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.214 75 G C 1.486 176.412 174.900 0.043 0.000 1.202 75 G CA 0.904 46.002 45.100 -0.004 0.000 0.793 75 G HN 0.772 nan 8.290 nan 0.000 0.534 76 E N 0.477 120.694 120.200 0.028 0.000 2.077 76 E HA -0.084 4.265 4.350 -0.001 0.000 0.193 76 E C 2.404 179.090 176.600 0.143 0.000 0.989 76 E CA 0.847 57.322 56.400 0.126 0.000 0.800 76 E CB -0.540 29.234 29.700 0.123 0.000 0.746 76 E HN 0.419 nan 8.360 nan 0.000 0.452 77 L N 1.235 122.441 121.223 -0.028 0.000 2.201 77 L HA -0.087 4.253 4.340 -0.001 0.000 0.212 77 L C 2.515 179.364 176.870 -0.035 0.000 1.105 77 L CA 0.952 55.753 54.840 -0.065 0.000 0.775 77 L CB -0.281 41.657 42.059 -0.203 0.000 0.913 77 L HN 0.163 nan 8.230 nan 0.000 0.440 78 S N 0.046 115.727 115.700 -0.031 0.000 2.423 78 S HA -0.089 4.380 4.470 -0.001 0.000 0.231 78 S C 1.971 176.561 174.600 -0.016 0.000 1.014 78 S CA 1.161 59.346 58.200 -0.024 0.000 0.965 78 S CB -0.076 63.109 63.200 -0.025 0.000 0.785 78 S HN 0.503 nan 8.310 nan 0.000 0.495 79 A N 0.436 123.288 122.820 0.054 0.000 2.238 79 A HA 0.336 4.656 4.320 -0.001 0.000 0.210 79 A C 1.781 179.430 177.584 0.108 0.000 1.179 79 A CA -0.078 52.003 52.037 0.073 0.000 0.827 79 A CB -0.401 18.793 19.000 0.323 0.000 0.856 79 A HN 0.492 nan 8.150 nan 0.000 0.488 80 I N -0.045 120.584 120.570 0.100 0.000 2.493 80 I HA -0.238 3.931 4.170 -0.001 0.000 0.254 80 I C 2.087 178.233 176.117 0.048 0.000 1.160 80 I CA 1.664 63.004 61.300 0.067 0.000 1.445 80 I CB -0.044 37.887 38.000 -0.114 0.000 1.086 80 I HN 0.438 nan 8.210 nan 0.000 0.433 81 N N 0.874 119.619 118.700 0.076 0.000 2.188 81 N HA -0.117 4.623 4.740 -0.001 0.000 0.184 81 N C 1.850 177.497 175.510 0.229 0.000 1.018 81 N CA 1.668 54.844 53.050 0.211 0.000 0.858 81 N CB -0.440 38.195 38.487 0.247 0.000 0.989 81 N HN 0.363 nan 8.380 nan 0.000 0.426 82 G N 0.374 109.222 108.800 0.079 0.000 2.421 82 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.216 82 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.216 82 G C 1.452 176.410 174.900 0.097 0.000 1.171 82 G CA 0.734 45.900 45.100 0.110 0.000 0.775 82 G HN 0.335 nan 8.290 nan 0.000 0.543 83 L N 1.142 122.435 121.223 0.118 0.000 2.093 83 L HA 0.156 4.495 4.340 -0.001 0.000 0.208 83 L C 3.157 180.022 176.870 -0.008 0.000 1.085 83 L CA 1.790 56.725 54.840 0.159 0.000 0.755 83 L CB -0.450 41.788 42.059 0.298 0.000 0.904 83 L HN 0.254 nan 8.230 nan 0.000 0.435 84 A N -0.777 121.943 122.820 -0.167 0.000 1.902 84 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 84 A C 2.348 179.366 177.584 -0.943 0.000 1.181 84 A CA 1.602 53.332 52.037 -0.512 0.000 0.623 84 A CB -1.474 17.176 19.000 -0.582 0.000 0.818 84 A HN 0.482 nan 8.150 nan 0.000 0.443 85 G N -0.878 107.317 108.800 -1.008 0.000 2.422 85 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.218 85 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.218 85 G C 1.780 176.497 174.900 -0.305 0.000 1.146 85 G CA 1.268 45.846 45.100 -0.870 0.000 0.769 85 G HN 0.491 nan 8.290 nan 0.000 0.547 86 S N -0.552 115.076 115.700 -0.120 0.000 2.402 86 S HA -0.097 4.372 4.470 -0.001 0.000 0.229 86 S C 1.913 176.511 174.600 -0.003 0.000 1.021 86 S CA 0.951 59.156 58.200 0.007 0.000 0.974 86 S CB -0.351 62.913 63.200 0.107 0.000 0.800 86 S HN 0.527 nan 8.310 nan 0.000 0.484 87 Y N 2.193 122.408 120.300 -0.142 0.000 2.184 87 Y HA -0.051 4.499 4.550 -0.001 0.000 0.290 87 Y C 2.468 178.305 175.900 -0.104 0.000 1.129 87 Y CA 1.015 59.049 58.100 -0.111 0.000 1.144 87 Y CB -0.710 37.665 38.460 -0.142 0.000 0.995 87 Y HN 0.217 nan 8.280 nan 0.000 0.513 88 A N 0.272 123.055 122.820 -0.063 0.000 1.883 88 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 88 A C 1.869 179.467 177.584 0.023 0.000 1.186 88 A CA 2.126 54.144 52.037 -0.032 0.000 0.624 88 A CB -0.609 18.335 19.000 -0.094 0.000 0.822 88 A HN 0.631 nan 8.150 nan 0.000 0.444 89 E N -1.278 118.932 120.200 0.018 0.000 2.463 89 E HA 0.098 4.448 4.350 -0.001 0.000 0.193 89 E C -0.365 176.348 176.600 0.189 0.000 1.041 89 E CA 0.007 56.493 56.400 0.144 0.000 0.879 89 E CB -0.157 29.628 29.700 0.141 0.000 0.997 89 E HN 0.676 nan 8.360 nan 0.000 0.478 90 N N 0.797 119.524 118.700 0.045 0.000 2.753 90 N HA -0.164 4.575 4.740 -0.001 0.000 0.252 90 N C -1.590 173.923 175.510 0.006 0.000 1.071 90 N CA -0.044 52.995 53.050 -0.018 0.000 0.690 90 N CB -0.655 37.846 38.487 0.024 0.000 0.906 90 N HN -0.015 nan 8.380 nan 0.000 0.552 91 L N 1.240 122.474 121.223 0.018 0.000 2.317 91 L HA 0.538 4.878 4.340 -0.001 0.000 0.281 91 L C -1.782 175.112 176.870 0.040 0.000 1.024 91 L CA -1.699 53.168 54.840 0.045 0.000 0.810 91 L CB 1.340 43.459 42.059 0.101 0.000 1.240 91 L HN 0.029 nan 8.230 nan 0.000 0.427 92 P HA 0.106 nan 4.420 nan 0.000 0.244 92 P C -0.809 176.552 177.300 0.101 0.000 1.769 92 P CA -0.011 63.103 63.100 0.024 0.000 1.102 92 P CB 0.242 31.919 31.700 -0.038 0.000 1.937 93 V N 3.974 123.971 119.914 0.138 0.000 2.417 93 V HA 0.230 4.349 4.120 -0.001 0.000 0.291 93 V C 0.486 176.681 176.094 0.167 0.000 1.024 93 V CA -0.842 61.581 62.300 0.205 0.000 0.861 93 V CB 2.338 34.335 31.823 0.289 0.000 0.985 93 V HN 0.098 nan 8.190 nan 0.000 0.436 94 V N 4.300 124.293 119.914 0.132 0.000 2.383 94 V HA 0.341 4.460 4.120 -0.001 0.000 0.275 94 V C 0.210 176.238 176.094 -0.110 0.000 1.036 94 V CA -0.445 61.878 62.300 0.038 0.000 0.889 94 V CB 1.287 33.128 31.823 0.031 0.000 0.985 94 V HN 0.962 nan 8.190 nan 0.000 0.459 95 E N 4.946 124.996 120.200 -0.250 0.000 2.174 95 E HA 0.525 4.875 4.350 -0.001 0.000 0.282 95 E C -1.097 175.203 176.600 -0.502 0.000 0.992 95 E CA -0.582 55.420 56.400 -0.663 0.000 0.803 95 E CB 1.105 30.392 29.700 -0.687 0.000 1.090 95 E HN 0.655 nan 8.360 nan 0.000 0.396 96 I N 4.717 125.018 120.570 -0.448 0.000 2.354 96 I HA 0.238 4.408 4.170 -0.001 0.000 0.292 96 I C -0.783 175.142 176.117 -0.319 0.000 0.989 96 I CA -0.977 60.121 61.300 -0.337 0.000 1.188 96 I CB 1.726 39.625 38.000 -0.167 0.000 1.342 96 I HN 0.283 nan 8.210 nan 0.000 0.457 97 V N 5.444 125.136 119.914 -0.369 0.000 2.334 97 V HA 0.434 4.553 4.120 -0.001 0.000 0.281 97 V C 0.709 176.757 176.094 -0.077 0.000 1.016 97 V CA -0.700 61.475 62.300 -0.209 0.000 0.832 97 V CB 1.311 32.958 31.823 -0.294 0.000 0.999 97 V HN 0.893 nan 8.190 nan 0.000 0.439 98 G N 3.706 112.528 108.800 0.037 0.000 2.361 98 G HA2 0.480 4.439 3.960 -0.001 0.000 0.260 98 G HA3 0.480 4.439 3.960 -0.001 0.000 0.260 98 G C 0.178 175.175 174.900 0.162 0.000 1.261 98 G CA 0.198 45.346 45.100 0.080 0.000 0.897 98 G HN 0.890 nan 8.290 nan 0.000 0.499 99 S N 2.765 118.454 115.700 -0.019 0.000 2.671 99 S HA 0.807 5.277 4.470 -0.001 0.000 0.299 99 S C -2.974 171.281 174.600 -0.575 0.000 1.116 99 S CA -1.646 56.374 58.200 -0.301 0.000 0.912 99 S CB 2.627 65.658 63.200 -0.281 0.000 1.130 99 S HN 0.325 nan 8.310 nan 0.000 0.501 100 P HA 0.141 nan 4.420 nan 0.000 0.270 100 P C 0.216 177.220 177.300 -0.494 0.000 1.227 100 P CA -0.057 62.537 63.100 -0.844 0.000 0.788 100 P CB -0.114 31.020 31.700 -0.943 0.000 0.926 101 T N -1.578 112.789 114.554 -0.312 0.000 2.937 101 T HA -0.001 4.348 4.350 -0.001 0.000 0.316 101 T C 1.278 175.793 174.700 -0.309 0.000 1.079 101 T CA 0.032 61.988 62.100 -0.240 0.000 1.131 101 T CB -0.306 68.472 68.868 -0.150 0.000 1.000 101 T HN 0.234 nan 8.240 nan 0.000 0.549 102 S N 1.507 117.060 115.700 -0.245 0.000 2.380 102 S HA -0.209 4.261 4.470 -0.001 0.000 0.229 102 S C 1.894 176.353 174.600 -0.235 0.000 1.043 102 S CA 1.803 59.860 58.200 -0.238 0.000 1.038 102 S CB -0.484 62.616 63.200 -0.167 0.000 0.872 102 S HN 0.899 nan 8.310 nan 0.000 0.456 103 K N 0.993 121.280 120.400 -0.188 0.000 2.057 103 K HA -0.059 4.261 4.320 -0.001 0.000 0.206 103 K C 1.947 178.432 176.600 -0.191 0.000 1.050 103 K CA 1.245 57.439 56.287 -0.155 0.000 0.935 103 K CB -0.252 32.183 32.500 -0.109 0.000 0.715 103 K HN 0.173 nan 8.250 nan 0.000 0.439 104 V N 1.860 121.629 119.914 -0.241 0.000 2.343 104 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 104 V C 2.387 178.197 176.094 -0.475 0.000 1.051 104 V CA 1.900 64.036 62.300 -0.273 0.000 1.036 104 V CB -0.506 31.155 31.823 -0.269 0.000 0.654 104 V HN 0.448 nan 8.190 nan 0.000 0.451 105 Q N -0.177 119.167 119.800 -0.761 0.000 2.050 105 Q HA -0.260 4.080 4.340 -0.001 0.000 0.202 105 Q C 2.191 177.955 176.000 -0.393 0.000 0.980 105 Q CA 1.919 57.072 55.803 -1.084 0.000 0.840 105 Q CB -0.369 27.808 28.738 -0.935 0.000 0.898 105 Q HN 0.669 nan 8.270 nan 0.000 0.424 106 N N 0.757 119.306 118.700 -0.253 0.000 2.244 106 N HA -0.143 4.597 4.740 -0.001 0.000 0.183 106 N C 0.913 176.387 175.510 -0.061 0.000 1.016 106 N CA 1.159 54.137 53.050 -0.119 0.000 0.866 106 N CB 0.051 38.473 38.487 -0.108 0.000 0.980 106 N HN 0.102 nan 8.380 nan 0.000 0.430 107 D N -0.685 119.671 120.400 -0.072 0.000 2.347 107 D HA 0.106 4.745 4.640 -0.001 0.000 0.215 107 D C 0.927 177.252 176.300 0.042 0.000 0.976 107 D CA 0.955 54.940 54.000 -0.025 0.000 0.884 107 D CB -0.391 40.385 40.800 -0.041 0.000 0.915 107 D HN 0.386 nan 8.370 nan 0.000 0.526 108 G N 1.301 110.182 108.800 0.135 0.000 2.221 108 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.265 108 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.265 108 G C 0.156 175.252 174.900 0.327 0.000 1.041 108 G CA -0.056 45.223 45.100 0.299 0.000 0.807 108 G HN 0.089 nan 8.290 nan 0.000 0.502 109 K N -0.286 120.300 120.400 0.310 0.000 2.382 109 K HA 0.262 4.582 4.320 -0.001 0.000 0.275 109 K C 0.485 177.374 176.600 0.481 0.000 1.009 109 K CA -0.732 55.707 56.287 0.254 0.000 0.970 109 K CB 0.153 32.748 32.500 0.159 0.000 0.934 109 K HN 0.055 nan 8.250 nan 0.000 0.479 110 F N 2.778 122.796 119.950 0.113 0.000 2.661 110 F HA 0.048 4.574 4.527 -0.001 0.000 0.356 110 F C 0.739 176.610 175.800 0.118 0.000 1.244 110 F CA -1.193 56.861 58.000 0.090 0.000 1.290 110 F CB -1.122 37.919 39.000 0.067 0.000 1.677 110 F HN 0.064 nan 8.300 nan 0.000 0.649 111 V N -0.241 119.862 119.914 0.315 0.000 2.973 111 V HA 0.435 4.554 4.120 -0.001 0.000 0.314 111 V C 0.628 176.844 176.094 0.203 0.000 1.066 111 V CA -1.026 61.422 62.300 0.246 0.000 1.021 111 V CB 1.145 33.092 31.823 0.207 0.000 1.076 111 V HN 0.597 nan 8.190 nan 0.000 0.462 112 H N 1.787 120.958 119.070 0.168 0.000 2.948 112 H HA 0.103 4.658 4.556 -0.001 0.000 0.351 112 H C 0.237 175.673 175.328 0.181 0.000 1.079 112 H CA 0.938 57.020 56.048 0.057 0.000 1.407 112 H CB -0.191 29.459 29.762 -0.187 0.000 1.373 112 H HN 1.025 nan 8.280 nan 0.000 0.605 113 H N -1.078 118.206 119.070 0.356 0.000 2.969 113 H HA -0.175 4.380 4.556 -0.001 0.000 0.269 113 H C 0.292 175.869 175.328 0.415 0.000 1.230 113 H CA 1.050 57.305 56.048 0.346 0.000 1.123 113 H CB -2.411 27.635 29.762 0.473 0.000 1.289 113 H HN 0.997 nan 8.280 nan 0.000 0.364 114 T N -3.167 111.632 114.554 0.408 0.000 2.888 114 T HA 0.682 5.031 4.350 -0.001 0.000 0.288 114 T C 1.247 176.053 174.700 0.176 0.000 1.063 114 T CA -0.957 61.340 62.100 0.329 0.000 1.010 114 T CB 1.562 70.465 68.868 0.058 0.000 1.214 114 T HN 0.074 nan 8.240 nan 0.000 0.533 115 L N 1.007 122.284 121.223 0.090 0.000 2.627 115 L HA 0.412 4.752 4.340 -0.001 0.000 0.232 115 L C 1.658 178.412 176.870 -0.194 0.000 1.150 115 L CA 0.146 54.976 54.840 -0.016 0.000 0.917 115 L CB -0.989 41.059 42.059 -0.019 0.000 1.104 115 L HN 1.104 nan 8.230 nan 0.000 0.445 116 A N 1.714 124.347 122.820 -0.312 0.000 2.791 116 A HA -0.230 4.090 4.320 -0.001 0.000 0.292 116 A C 0.831 177.700 177.584 -1.193 0.000 1.487 116 A CA 1.175 52.707 52.037 -0.843 0.000 0.760 116 A CB -1.801 16.776 19.000 -0.705 0.000 1.031 116 A HN 0.736 nan 8.150 nan 0.000 0.503 117 D N -2.278 117.789 120.400 -0.556 0.000 2.500 117 D HA 0.391 5.031 4.640 -0.001 0.000 0.217 117 D C 1.280 177.587 176.300 0.011 0.000 1.159 117 D CA 0.766 54.630 54.000 -0.228 0.000 0.828 117 D CB -0.561 40.188 40.800 -0.084 0.000 1.039 117 D HN 1.739 nan 8.370 nan 0.000 0.512 118 G N 0.676 109.486 108.800 0.017 0.000 2.162 118 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.260 118 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.260 118 G C -0.325 174.536 174.900 -0.065 0.000 0.976 118 G CA 0.293 45.465 45.100 0.121 0.000 0.655 118 G HN 0.550 nan 8.290 nan 0.000 0.533 119 D N -0.477 119.738 120.400 -0.308 0.000 2.349 119 D HA 0.564 5.204 4.640 -0.001 0.000 0.232 119 D C 0.481 176.457 176.300 -0.540 0.000 1.071 119 D CA -0.850 52.934 54.000 -0.360 0.000 0.832 119 D CB 0.222 40.706 40.800 -0.527 0.000 1.086 119 D HN 0.044 nan 8.370 nan 0.000 0.504 120 F N 2.225 122.087 119.950 -0.147 0.000 2.641 120 F HA 0.267 4.794 4.527 -0.001 0.000 0.302 120 F C 1.804 177.625 175.800 0.034 0.000 1.098 120 F CA -0.159 57.849 58.000 0.014 0.000 1.318 120 F CB 0.588 39.508 39.000 -0.133 0.000 1.035 120 F HN 0.181 nan 8.300 nan 0.000 0.551 121 K N -1.091 119.251 120.400 -0.096 0.000 2.373 121 K HA 0.107 4.426 4.320 -0.001 0.000 0.200 121 K C 1.299 177.798 176.600 -0.168 0.000 1.054 121 K CA -0.051 56.188 56.287 -0.079 0.000 1.065 121 K CB 0.150 32.603 32.500 -0.079 0.000 0.886 121 K HN 0.218 nan 8.250 nan 0.000 0.546 122 H N 0.320 119.198 119.070 -0.321 0.000 2.352 122 H HA -0.112 4.443 4.556 -0.001 0.000 0.299 122 H C 1.651 176.845 175.328 -0.224 0.000 1.097 122 H CA 1.500 57.327 56.048 -0.369 0.000 1.311 122 H CB -0.100 29.281 29.762 -0.635 0.000 1.377 122 H HN 0.123 nan 8.280 nan 0.000 0.504 123 F N 0.036 120.062 119.950 0.126 0.000 2.206 123 F HA -0.048 4.479 4.527 -0.001 0.000 0.298 123 F C 2.818 178.705 175.800 0.146 0.000 1.090 123 F CA 0.457 58.503 58.000 0.076 0.000 1.323 123 F CB -0.800 38.144 39.000 -0.093 0.000 1.028 123 F HN 0.046 nan 8.300 nan 0.000 0.492 124 M N 0.538 120.252 119.600 0.189 0.000 2.117 124 M HA -0.223 4.257 4.480 -0.001 0.000 0.262 124 M C 2.376 178.622 176.300 -0.091 0.000 1.065 124 M CA 1.722 56.969 55.300 -0.088 0.000 1.114 124 M CB -0.187 32.420 32.600 0.011 0.000 1.361 124 M HN 0.102 nan 8.290 nan 0.000 0.408 125 K N 0.314 120.707 120.400 -0.011 0.000 2.063 125 K HA -0.200 4.119 4.320 -0.001 0.000 0.208 125 K C 1.708 178.297 176.600 -0.019 0.000 1.048 125 K CA 2.096 58.372 56.287 -0.018 0.000 0.928 125 K CB -0.190 32.313 32.500 0.004 0.000 0.713 125 K HN 0.402 nan 8.250 nan 0.000 0.442 126 M N -0.385 119.229 119.600 0.024 0.000 2.358 126 M HA -0.137 4.343 4.480 -0.001 0.000 0.264 126 M C 1.163 177.371 176.300 -0.155 0.000 1.064 126 M CA 1.386 56.665 55.300 -0.036 0.000 1.093 126 M CB -0.125 32.479 32.600 0.007 0.000 1.401 126 M HN 0.234 nan 8.290 nan 0.000 0.440 127 H N -0.466 118.498 119.070 -0.177 0.000 2.539 127 H HA 0.046 4.601 4.556 -0.001 0.000 0.267 127 H C 1.592 176.775 175.328 -0.242 0.000 0.982 127 H CA 0.508 56.412 56.048 -0.240 0.000 1.146 127 H CB 0.052 29.537 29.762 -0.462 0.000 1.382 127 H HN 0.416 nan 8.280 nan 0.000 0.577 128 E N 0.355 120.488 120.200 -0.113 0.000 2.070 128 E HA -0.161 4.188 4.350 -0.001 0.000 0.197 128 E C -0.603 175.890 176.600 -0.179 0.000 1.004 128 E CA 1.355 57.682 56.400 -0.121 0.000 0.805 128 E CB -0.676 28.972 29.700 -0.086 0.000 0.744 128 E HN 0.476 nan 8.360 nan 0.000 0.451 129 P HA -0.081 nan 4.420 nan 0.000 0.233 129 P C 0.661 177.602 177.300 -0.598 0.000 1.167 129 P CA 0.900 63.821 63.100 -0.299 0.000 0.770 129 P CB 0.217 31.795 31.700 -0.202 0.000 0.837 130 V N -4.987 114.603 119.914 -0.540 0.000 3.159 130 V HA 0.348 4.468 4.120 -0.001 0.000 0.333 130 V C 0.026 175.918 176.094 -0.337 0.000 1.424 130 V CA -0.070 61.834 62.300 -0.661 0.000 1.125 130 V CB -0.530 31.104 31.823 -0.315 0.000 1.075 130 V HN 0.050 nan 8.190 nan 0.000 0.482 131 T N -3.232 111.167 114.554 -0.259 0.000 2.912 131 T HA 0.808 5.157 4.350 -0.001 0.000 0.299 131 T C 0.746 175.547 174.700 0.168 0.000 1.052 131 T CA 0.151 62.300 62.100 0.083 0.000 0.996 131 T CB 2.050 70.956 68.868 0.064 0.000 1.070 131 T HN 0.387 nan 8.240 nan 0.000 0.465 132 A N 1.573 124.559 122.820 0.278 0.000 2.016 132 A HA 0.696 5.016 4.320 -0.001 0.000 0.217 132 A C 1.213 178.870 177.584 0.121 0.000 1.162 132 A CA 0.830 52.997 52.037 0.217 0.000 0.662 132 A CB -0.562 18.534 19.000 0.160 0.000 0.812 132 A HN 1.666 nan 8.150 nan 0.000 0.450 133 A N -0.617 122.267 122.820 0.106 0.000 2.604 133 A HA 0.682 5.001 4.320 -0.001 0.000 0.295 133 A C -0.644 176.995 177.584 0.091 0.000 1.067 133 A CA -0.573 51.513 52.037 0.082 0.000 0.683 133 A CB 1.014 20.062 19.000 0.081 0.000 1.281 133 A HN 0.702 nan 8.150 nan 0.000 0.407 134 R N -0.110 120.437 120.500 0.079 0.000 2.643 134 R HA 0.853 5.192 4.340 -0.001 0.000 0.269 134 R C -1.609 174.760 176.300 0.114 0.000 1.037 134 R CA -0.391 55.782 56.100 0.123 0.000 0.894 134 R CB 1.796 32.091 30.300 -0.008 0.000 1.238 134 R HN 0.836 nan 8.270 nan 0.000 0.459 135 T N 1.809 116.460 114.554 0.161 0.000 2.956 135 T HA 0.383 4.733 4.350 -0.001 0.000 0.312 135 T C -1.840 172.908 174.700 0.080 0.000 1.151 135 T CA -0.752 61.397 62.100 0.082 0.000 1.024 135 T CB 1.519 70.400 68.868 0.023 0.000 1.140 135 T HN 0.502 nan 8.240 nan 0.000 0.473 136 L N 6.275 127.523 121.223 0.042 0.000 2.262 136 L HA 0.616 4.956 4.340 -0.001 0.000 0.288 136 L C -0.882 175.952 176.870 -0.061 0.000 1.035 136 L CA -0.329 54.515 54.840 0.007 0.000 0.820 136 L CB 0.173 42.245 42.059 0.020 0.000 1.204 136 L HN 0.640 nan 8.230 nan 0.000 0.424 137 L N 4.426 125.587 121.223 -0.103 0.000 2.395 137 L HA 0.536 4.876 4.340 -0.001 0.000 0.269 137 L C 0.698 177.479 176.870 -0.149 0.000 1.133 137 L CA -0.333 54.416 54.840 -0.151 0.000 0.812 137 L CB 1.186 43.138 42.059 -0.178 0.000 1.125 137 L HN 0.773 nan 8.230 nan 0.000 0.452 138 T N -1.668 112.786 114.554 -0.167 0.000 2.916 138 T HA 0.545 4.894 4.350 -0.001 0.000 0.292 138 T C 0.828 175.434 174.700 -0.158 0.000 1.064 138 T CA -0.195 61.818 62.100 -0.145 0.000 1.011 138 T CB 1.835 70.633 68.868 -0.116 0.000 1.152 138 T HN 0.562 nan 8.240 nan 0.000 0.510 139 A N 1.055 123.800 122.820 -0.125 0.000 1.917 139 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 139 A C 2.185 179.698 177.584 -0.119 0.000 1.182 139 A CA 1.884 53.853 52.037 -0.114 0.000 0.633 139 A CB -0.833 18.117 19.000 -0.082 0.000 0.819 139 A HN 0.939 nan 8.150 nan 0.000 0.448 140 E N 0.540 120.680 120.200 -0.100 0.000 2.170 140 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 140 E C 1.266 177.794 176.600 -0.120 0.000 0.981 140 E CA 1.293 57.656 56.400 -0.062 0.000 0.830 140 E CB -0.715 28.983 29.700 -0.003 0.000 0.775 140 E HN 0.812 nan 8.360 nan 0.000 0.470 141 N N 1.510 120.039 118.700 -0.285 0.000 2.373 141 N HA 0.099 4.839 4.740 -0.001 0.000 0.181 141 N C 1.657 176.610 175.510 -0.928 0.000 1.082 141 N CA 0.925 53.482 53.050 -0.822 0.000 0.885 141 N CB 0.071 38.210 38.487 -0.580 0.000 0.977 141 N HN 0.136 nan 8.380 nan 0.000 0.462 142 A N 0.843 123.370 122.820 -0.489 0.000 1.865 142 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 142 A C 2.366 179.702 177.584 -0.413 0.000 1.191 142 A CA 2.615 54.419 52.037 -0.388 0.000 0.623 142 A CB -1.620 17.212 19.000 -0.280 0.000 0.826 142 A HN 0.585 nan 8.150 nan 0.000 0.444 143 T N -1.644 112.617 114.554 -0.488 0.000 2.746 143 T HA -0.257 4.092 4.350 -0.001 0.000 0.267 143 T C 1.869 176.451 174.700 -0.196 0.000 1.039 143 T CA 1.718 63.435 62.100 -0.638 0.000 1.142 143 T CB -0.914 67.453 68.868 -0.835 0.000 0.866 143 T HN 0.772 nan 8.240 nan 0.000 0.444 144 Y N 1.452 121.688 120.300 -0.107 0.000 2.242 144 Y HA 0.197 4.746 4.550 -0.001 0.000 0.291 144 Y C 2.468 178.369 175.900 0.001 0.000 1.137 144 Y CA 0.849 58.936 58.100 -0.023 0.000 1.181 144 Y CB -0.531 37.917 38.460 -0.019 0.000 0.989 144 Y HN 0.038 nan 8.280 nan 0.000 0.527 145 E N 1.303 121.382 120.200 -0.202 0.000 2.072 145 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 145 E C 2.261 178.854 176.600 -0.011 0.000 0.985 145 E CA 1.316 57.664 56.400 -0.086 0.000 0.801 145 E CB -0.305 29.259 29.700 -0.227 0.000 0.750 145 E HN 0.645 nan 8.360 nan 0.000 0.452 146 I N 1.635 122.187 120.570 -0.030 0.000 2.163 146 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 146 I C 1.882 178.069 176.117 0.117 0.000 1.085 146 I CA 1.338 62.671 61.300 0.055 0.000 1.347 146 I CB -0.223 37.850 38.000 0.122 0.000 1.044 146 I HN -0.036 nan 8.210 nan 0.000 0.408 147 D N 0.164 120.661 120.400 0.162 0.000 2.144 147 D HA -0.177 4.463 4.640 -0.001 0.000 0.200 147 D C 2.168 178.542 176.300 0.123 0.000 0.978 147 D CA 0.911 55.011 54.000 0.168 0.000 0.833 147 D CB -0.274 40.650 40.800 0.206 0.000 0.961 147 D HN 0.237 nan 8.370 nan 0.000 0.470 148 R N 0.778 121.352 120.500 0.123 0.000 2.070 148 R HA -0.134 4.206 4.340 -0.001 0.000 0.233 148 R C 2.261 178.612 176.300 0.086 0.000 1.137 148 R CA 1.842 58.006 56.100 0.107 0.000 0.945 148 R CB -0.214 30.161 30.300 0.126 0.000 0.845 148 R HN 0.230 nan 8.270 nan 0.000 0.430 149 V N -1.018 118.944 119.914 0.079 0.000 2.453 149 V HA -0.104 4.015 4.120 -0.001 0.000 0.247 149 V C 2.164 178.299 176.094 0.068 0.000 1.048 149 V CA 1.418 63.761 62.300 0.071 0.000 1.049 149 V CB -0.592 31.270 31.823 0.066 0.000 0.672 149 V HN 0.257 nan 8.190 nan 0.000 0.457 150 L N 0.592 121.857 121.223 0.070 0.000 2.156 150 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 150 L C 2.833 179.739 176.870 0.059 0.000 1.095 150 L CA 1.493 56.371 54.840 0.064 0.000 0.770 150 L CB -0.675 41.425 42.059 0.069 0.000 0.914 150 L HN 0.331 nan 8.230 nan 0.000 0.439 151 S N -0.422 115.318 115.700 0.067 0.000 2.382 151 S HA -0.244 4.226 4.470 -0.001 0.000 0.228 151 S C 1.912 176.546 174.600 0.056 0.000 1.027 151 S CA 1.229 59.467 58.200 0.063 0.000 0.991 151 S CB -0.145 63.097 63.200 0.069 0.000 0.823 151 S HN 0.340 nan 8.310 nan 0.000 0.469 152 Q N 1.211 121.045 119.800 0.058 0.000 2.124 152 Q HA 0.022 4.361 4.340 -0.001 0.000 0.202 152 Q C 2.010 178.034 176.000 0.040 0.000 0.977 152 Q CA 1.125 56.961 55.803 0.054 0.000 0.850 152 Q CB -0.504 28.271 28.738 0.061 0.000 0.901 152 Q HN 0.557 nan 8.270 nan 0.000 0.429 153 L N -0.611 120.634 121.223 0.037 0.000 2.012 153 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 153 L C 1.946 178.797 176.870 -0.031 0.000 1.073 153 L CA 1.406 56.252 54.840 0.010 0.000 0.748 153 L CB -0.236 41.839 42.059 0.026 0.000 0.891 153 L HN 0.318 nan 8.230 nan 0.000 0.431 154 L N -0.252 120.970 121.223 -0.002 0.000 2.046 154 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 154 L C 2.738 179.628 176.870 0.034 0.000 1.077 154 L CA 1.579 56.417 54.840 -0.003 0.000 0.747 154 L CB -0.644 41.437 42.059 0.037 0.000 0.896 154 L HN 0.331 nan 8.230 nan 0.000 0.432 155 K N 0.329 120.769 120.400 0.067 0.000 2.025 155 K HA -0.160 4.160 4.320 -0.001 0.000 0.207 155 K C 1.606 178.321 176.600 0.191 0.000 1.049 155 K CA 1.577 57.942 56.287 0.130 0.000 0.933 155 K CB 0.169 32.719 32.500 0.083 0.000 0.714 155 K HN 0.391 nan 8.250 nan 0.000 0.438 156 E N -0.625 119.616 120.200 0.070 0.000 2.447 156 E HA 0.089 4.438 4.350 -0.001 0.000 0.204 156 E C -0.243 176.295 176.600 -0.103 0.000 0.977 156 E CA -0.246 56.186 56.400 0.054 0.000 0.950 156 E CB 0.692 30.398 29.700 0.011 0.000 0.975 156 E HN 0.144 nan 8.360 nan 0.000 0.496 157 R N 1.004 121.354 120.500 -0.249 0.000 3.758 157 R HA -0.166 4.173 4.340 -0.001 0.000 0.299 157 R C -0.541 175.658 176.300 -0.168 0.000 1.182 157 R CA 0.900 56.802 56.100 -0.329 0.000 0.809 157 R CB -2.411 27.464 30.300 -0.709 0.000 1.249 157 R HN 0.219 nan 8.270 nan 0.000 0.497 158 K N 0.840 121.177 120.400 -0.106 0.000 2.139 158 K HA 0.446 4.766 4.320 -0.001 0.000 0.243 158 K C -2.135 174.485 176.600 0.033 0.000 0.983 158 K CA -1.967 54.269 56.287 -0.084 0.000 0.890 158 K CB 1.065 33.461 32.500 -0.175 0.000 1.090 158 K HN -0.182 nan 8.250 nan 0.000 0.445 159 P HA -0.013 nan 4.420 nan 0.000 0.269 159 P C -0.697 176.705 177.300 0.170 0.000 1.209 159 P CA -0.277 62.920 63.100 0.161 0.000 0.776 159 P CB 0.667 32.496 31.700 0.215 0.000 0.876 160 V N 0.124 120.124 119.914 0.143 0.000 3.141 160 V HA 0.689 4.808 4.120 -0.001 0.000 0.312 160 V C -1.512 174.674 176.094 0.154 0.000 1.157 160 V CA -1.157 61.229 62.300 0.142 0.000 1.041 160 V CB 2.228 34.112 31.823 0.102 0.000 1.071 160 V HN 0.551 nan 8.190 nan 0.000 0.441 161 Y N 1.116 121.401 120.300 -0.025 0.000 2.396 161 Y HA 0.808 5.357 4.550 -0.001 0.000 0.332 161 Y C -1.173 174.675 175.900 -0.087 0.000 1.034 161 Y CA -0.902 57.144 58.100 -0.091 0.000 1.057 161 Y CB 1.904 40.293 38.460 -0.118 0.000 1.220 161 Y HN 0.751 nan 8.280 nan 0.000 0.440 162 I N 6.169 126.548 120.570 -0.318 0.000 2.439 162 I HA 0.252 4.422 4.170 -0.001 0.000 0.283 162 I C -1.005 174.862 176.117 -0.417 0.000 1.023 162 I CA -0.646 60.505 61.300 -0.247 0.000 1.100 162 I CB 1.793 39.680 38.000 -0.188 0.000 1.238 162 I HN 0.655 nan 8.210 nan 0.000 0.445 163 N N 6.464 125.004 118.700 -0.267 0.000 2.419 163 N HA 0.435 5.174 4.740 -0.001 0.000 0.264 163 N C -1.208 174.203 175.510 -0.166 0.000 1.031 163 N CA -0.548 52.385 53.050 -0.194 0.000 0.951 163 N CB 0.962 39.469 38.487 0.033 0.000 1.101 163 N HN 0.441 nan 8.380 nan 0.000 0.488 164 L N 6.380 127.483 121.223 -0.199 0.000 2.337 164 L HA 0.606 4.945 4.340 -0.001 0.000 0.269 164 L C -2.573 174.183 176.870 -0.189 0.000 1.018 164 L CA -2.206 52.493 54.840 -0.235 0.000 0.876 164 L CB 1.127 42.960 42.059 -0.376 0.000 1.236 164 L HN 0.531 nan 8.230 nan 0.000 0.436 165 P HA 0.063 nan 4.420 nan 0.000 0.269 165 P C 1.123 178.336 177.300 -0.145 0.000 1.209 165 P CA -0.216 62.771 63.100 -0.188 0.000 0.776 165 P CB 0.851 32.428 31.700 -0.205 0.000 0.876 166 V N 2.748 122.597 119.914 -0.110 0.000 2.231 166 V HA -0.307 3.813 4.120 -0.001 0.000 0.250 166 V C 2.028 178.085 176.094 -0.062 0.000 1.058 166 V CA 2.602 64.872 62.300 -0.050 0.000 1.022 166 V CB -1.239 30.581 31.823 -0.006 0.000 0.640 166 V HN 0.702 nan 8.190 nan 0.000 0.445 167 D N 0.036 120.388 120.400 -0.080 0.000 2.218 167 D HA -0.134 4.505 4.640 -0.001 0.000 0.204 167 D C 1.964 178.215 176.300 -0.083 0.000 0.976 167 D CA 1.382 55.338 54.000 -0.074 0.000 0.853 167 D CB -0.428 40.323 40.800 -0.082 0.000 0.939 167 D HN 0.394 nan 8.370 nan 0.000 0.481 168 V N 1.436 121.286 119.914 -0.107 0.000 2.453 168 V HA -0.117 4.002 4.120 -0.001 0.000 0.247 168 V C 2.936 178.962 176.094 -0.113 0.000 1.048 168 V CA 1.455 63.684 62.300 -0.119 0.000 1.049 168 V CB -0.748 30.987 31.823 -0.147 0.000 0.672 168 V HN 0.346 nan 8.190 nan 0.000 0.457 169 A N 0.170 122.921 122.820 -0.114 0.000 1.978 169 A HA -0.096 4.223 4.320 -0.001 0.000 0.220 169 A C 2.262 179.824 177.584 -0.038 0.000 1.170 169 A CA 1.990 53.973 52.037 -0.090 0.000 0.636 169 A CB -0.551 18.415 19.000 -0.058 0.000 0.810 169 A HN 0.582 nan 8.150 nan 0.000 0.448 170 A N -0.821 121.978 122.820 -0.036 0.000 2.208 170 A HA 0.585 4.904 4.320 -0.001 0.000 0.209 170 A C 1.336 178.900 177.584 -0.035 0.000 1.161 170 A CA 0.707 52.727 52.037 -0.028 0.000 0.782 170 A CB -0.750 18.236 19.000 -0.023 0.000 0.816 170 A HN 0.939 nan 8.150 nan 0.000 0.477 171 A N 0.324 123.115 122.820 -0.048 0.000 2.425 171 A HA 0.383 4.703 4.320 -0.001 0.000 0.242 171 A C 0.566 178.135 177.584 -0.026 0.000 1.077 171 A CA -0.270 51.741 52.037 -0.043 0.000 0.781 171 A CB 0.052 19.015 19.000 -0.062 0.000 1.020 171 A HN 0.441 nan 8.150 nan 0.000 0.494 172 K N 0.277 120.673 120.400 -0.007 0.000 2.414 172 K HA 0.409 4.729 4.320 -0.001 0.000 0.272 172 K C -0.083 176.543 176.600 0.043 0.000 0.993 172 K CA 0.606 56.910 56.287 0.029 0.000 0.964 172 K CB 0.303 32.821 32.500 0.030 0.000 0.925 172 K HN 0.889 nan 8.250 nan 0.000 0.487 173 A N 3.469 126.370 122.820 0.135 0.000 2.594 173 A HA 0.403 4.723 4.320 -0.001 0.000 0.291 173 A C -1.546 176.221 177.584 0.305 0.000 1.105 173 A CA -0.839 51.308 52.037 0.184 0.000 0.694 173 A CB 1.221 20.343 19.000 0.203 0.000 1.291 173 A HN 0.763 nan 8.150 nan 0.000 0.410 174 E N 1.217 121.537 120.200 0.200 0.000 2.179 174 E HA 0.297 4.647 4.350 -0.001 0.000 0.275 174 E C -0.793 175.840 176.600 0.056 0.000 0.945 174 E CA -0.847 55.595 56.400 0.070 0.000 0.792 174 E CB 1.678 31.399 29.700 0.036 0.000 1.125 174 E HN 0.488 nan 8.360 nan 0.000 0.397 175 K N 2.800 122.937 120.400 -0.440 0.000 2.561 175 K HA 0.010 4.330 4.320 -0.001 0.000 0.280 175 K C -2.180 174.402 176.600 -0.031 0.000 0.975 175 K CA -0.931 55.085 56.287 -0.452 0.000 1.024 175 K CB -0.057 32.121 32.500 -0.537 0.000 0.883 175 K HN 0.230 nan 8.250 nan 0.000 0.496 176 P HA -0.018 nan 4.420 nan 0.000 0.268 176 P C -0.443 176.861 177.300 0.006 0.000 1.204 176 P CA 0.115 63.234 63.100 0.031 0.000 0.768 176 P CB 1.093 32.691 31.700 -0.170 0.000 0.842 177 A N 4.184 127.031 122.820 0.045 0.000 1.930 177 A HA 0.093 4.413 4.320 -0.001 0.000 0.215 177 A C 0.826 178.421 177.584 0.018 0.000 1.176 177 A CA 1.097 53.147 52.037 0.022 0.000 0.632 177 A CB -0.386 18.633 19.000 0.032 0.000 0.819 177 A HN 0.508 nan 8.150 nan 0.000 0.445 178 L N -0.229 121.012 121.223 0.031 0.000 2.323 178 L HA 0.402 4.741 4.340 -0.001 0.000 0.265 178 L C 0.305 177.190 176.870 0.024 0.000 1.012 178 L CA -0.893 53.963 54.840 0.027 0.000 0.820 178 L CB 2.146 44.226 42.059 0.035 0.000 1.334 178 L HN 0.285 nan 8.230 nan 0.000 0.427 179 S N 0.348 116.061 115.700 0.021 0.000 2.593 179 S HA 0.300 4.770 4.470 -0.001 0.000 0.269 179 S C 0.990 175.609 174.600 0.030 0.000 1.334 179 S CA -0.662 57.550 58.200 0.019 0.000 1.015 179 S CB 0.903 64.114 63.200 0.018 0.000 0.912 179 S HN 0.568 nan 8.310 nan 0.000 0.541 180 L N 0.284 121.526 121.223 0.031 0.000 2.093 180 L HA -0.006 4.333 4.340 -0.001 0.000 0.208 180 L C 1.738 178.634 176.870 0.043 0.000 1.085 180 L CA 1.063 55.929 54.840 0.044 0.000 0.755 180 L CB -0.482 41.603 42.059 0.043 0.000 0.904 180 L HN 0.687 nan 8.230 nan 0.000 0.435 189 T N -0.748 113.821 114.554 0.024 0.000 2.701 189 T HA -0.141 4.209 4.350 -0.001 0.000 0.263 189 T C 1.992 176.703 174.700 0.018 0.000 1.040 189 T CA 2.276 64.387 62.100 0.019 0.000 1.147 189 T CB -0.520 68.360 68.868 0.019 0.000 0.865 189 T HN 0.534 nan 8.240 nan 0.000 0.426 190 T N 0.906 115.479 114.554 0.032 0.000 2.788 190 T HA -0.074 4.276 4.350 -0.001 0.000 0.268 190 T C 1.730 176.435 174.700 0.009 0.000 1.044 190 T CA 1.332 63.450 62.100 0.029 0.000 1.139 190 T CB -0.443 68.463 68.868 0.063 0.000 0.867 190 T HN 0.462 nan 8.240 nan 0.000 0.454 191 E N 0.620 120.840 120.200 0.033 0.000 2.110 191 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 191 E C 2.453 179.037 176.600 -0.026 0.000 0.988 191 E CA 1.220 57.626 56.400 0.010 0.000 0.804 191 E CB -0.174 29.552 29.700 0.043 0.000 0.745 191 E HN 0.442 nan 8.360 nan 0.000 0.458 192 Q N 0.214 120.006 119.800 -0.013 0.000 2.123 192 Q HA -0.074 4.266 4.340 -0.001 0.000 0.199 192 Q C 2.084 178.070 176.000 -0.022 0.000 0.966 192 Q CA 0.774 56.565 55.803 -0.019 0.000 0.845 192 Q CB 0.102 28.835 28.738 -0.008 0.000 0.907 192 Q HN 0.104 nan 8.270 nan 0.000 0.439 193 V N 0.319 120.222 119.914 -0.018 0.000 2.343 193 V HA -0.259 3.860 4.120 -0.001 0.000 0.247 193 V C 2.115 178.187 176.094 -0.036 0.000 1.051 193 V CA 1.672 63.962 62.300 -0.017 0.000 1.036 193 V CB -0.523 31.295 31.823 -0.008 0.000 0.654 193 V HN 0.371 nan 8.190 nan 0.000 0.451 194 I N -0.580 119.949 120.570 -0.068 0.000 2.179 194 I HA -0.237 3.933 4.170 -0.001 0.000 0.242 194 I C 2.393 178.455 176.117 -0.091 0.000 1.088 194 I CA 1.306 62.538 61.300 -0.113 0.000 1.357 194 I CB -0.312 37.561 38.000 -0.212 0.000 1.051 194 I HN 0.256 nan 8.210 nan 0.000 0.409 195 L N 0.004 121.178 121.223 -0.081 0.000 2.046 195 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 195 L C 2.668 179.514 176.870 -0.040 0.000 1.077 195 L CA 1.763 56.561 54.840 -0.070 0.000 0.747 195 L CB -1.242 40.777 42.059 -0.068 0.000 0.896 195 L HN 0.245 nan 8.230 nan 0.000 0.432 196 S N -0.278 115.405 115.700 -0.028 0.000 2.368 196 S HA -0.184 4.286 4.470 -0.001 0.000 0.225 196 S C 1.979 176.573 174.600 -0.010 0.000 1.030 196 S CA 1.250 59.441 58.200 -0.015 0.000 0.999 196 S CB -0.033 63.162 63.200 -0.009 0.000 0.844 196 S HN 0.344 nan 8.310 nan 0.000 0.459 197 K N 0.729 121.127 120.400 -0.004 0.000 2.097 197 K HA 0.105 4.425 4.320 -0.001 0.000 0.205 197 K C 1.889 178.485 176.600 -0.006 0.000 1.050 197 K CA 0.886 57.188 56.287 0.025 0.000 0.938 197 K CB -0.196 32.343 32.500 0.065 0.000 0.718 197 K HN 0.303 nan 8.250 nan 0.000 0.442 198 I N 0.717 121.277 120.570 -0.016 0.000 2.202 198 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 198 I C 2.499 178.604 176.117 -0.020 0.000 1.091 198 I CA 1.257 62.561 61.300 0.006 0.000 1.368 198 I CB -0.189 37.830 38.000 0.032 0.000 1.058 198 I HN 0.284 nan 8.210 nan 0.000 0.410 199 E N 1.127 121.324 120.200 -0.004 0.000 2.038 199 E HA -0.320 4.029 4.350 -0.001 0.000 0.195 199 E C 2.134 178.718 176.600 -0.027 0.000 1.000 199 E CA 1.766 58.173 56.400 0.012 0.000 0.803 199 E CB -0.084 29.625 29.700 0.014 0.000 0.750 199 E HN 0.449 nan 8.360 nan 0.000 0.448 200 E N -0.084 120.088 120.200 -0.046 0.000 2.058 200 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 200 E C 2.134 178.655 176.600 -0.132 0.000 0.997 200 E CA 1.707 58.068 56.400 -0.064 0.000 0.801 200 E CB -0.052 29.620 29.700 -0.046 0.000 0.746 200 E HN 0.140 nan 8.360 nan 0.000 0.450 201 S N 0.656 116.210 115.700 -0.244 0.000 2.368 201 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 201 S C 1.994 176.295 174.600 -0.499 0.000 1.030 201 S CA 1.050 58.928 58.200 -0.537 0.000 0.999 201 S CB -0.229 62.280 63.200 -1.152 0.000 0.844 201 S HN 0.271 nan 8.310 nan 0.000 0.459 202 L N 0.882 121.927 121.223 -0.296 0.000 2.093 202 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 202 L C 2.369 179.256 176.870 0.029 0.000 1.085 202 L CA 1.199 56.032 54.840 -0.012 0.000 0.755 202 L CB -0.336 41.807 42.059 0.141 0.000 0.904 202 L HN 0.231 nan 8.230 nan 0.000 0.435 203 K N -0.398 120.000 120.400 -0.002 0.000 2.217 203 K HA -0.053 4.266 4.320 -0.001 0.000 0.202 203 K C 1.581 178.183 176.600 0.003 0.000 1.051 203 K CA 0.798 57.094 56.287 0.016 0.000 0.952 203 K CB -0.014 32.491 32.500 0.008 0.000 0.736 203 K HN 0.243 nan 8.250 nan 0.000 0.453 204 N N 0.618 119.301 118.700 -0.030 0.000 2.424 204 N HA 0.017 4.756 4.740 -0.001 0.000 0.178 204 N C 0.022 175.531 175.510 -0.001 0.000 1.060 204 N CA 0.235 53.268 53.050 -0.028 0.000 0.901 204 N CB 0.168 38.619 38.487 -0.059 0.000 0.979 204 N HN 0.078 nan 8.380 nan 0.000 0.451 205 A N 0.634 123.469 122.820 0.025 0.000 2.440 205 A HA 0.158 4.477 4.320 -0.001 0.000 0.251 205 A C 1.038 178.691 177.584 0.114 0.000 1.089 205 A CA -0.161 51.930 52.037 0.091 0.000 0.779 205 A CB 0.561 19.671 19.000 0.182 0.000 1.022 205 A HN 0.026 nan 8.150 nan 0.000 0.492 206 Q N 0.504 120.362 119.800 0.097 0.000 2.376 206 Q HA 0.086 4.426 4.340 -0.001 0.000 0.206 206 Q C 0.262 176.365 176.000 0.172 0.000 0.921 206 Q CA 1.024 56.885 55.803 0.097 0.000 0.911 206 Q CB 0.359 29.119 28.738 0.037 0.000 1.032 206 Q HN 0.753 nan 8.270 nan 0.000 0.510 207 K N 1.160 121.647 120.400 0.145 0.000 3.050 207 K HA 0.225 4.545 4.320 -0.001 0.000 0.185 207 K C -2.756 173.888 176.600 0.073 0.000 1.147 207 K CA -1.461 54.885 56.287 0.099 0.000 0.916 207 K CB 1.373 33.806 32.500 -0.111 0.000 1.119 207 K HN -0.110 nan 8.250 nan 0.000 0.605 208 P HA 0.132 nan 4.420 nan 0.000 0.276 208 P C -0.894 176.449 177.300 0.071 0.000 1.244 208 P CA -0.520 62.679 63.100 0.164 0.000 0.801 208 P CB 1.920 33.770 31.700 0.251 0.000 1.006 209 V N 2.619 122.553 119.914 0.032 0.000 2.808 209 V HA 0.305 4.424 4.120 -0.001 0.000 0.308 209 V C -0.806 175.251 176.094 -0.062 0.000 1.099 209 V CA -0.884 61.424 62.300 0.013 0.000 0.920 209 V CB 2.482 34.340 31.823 0.059 0.000 1.014 209 V HN 0.219 nan 8.190 nan 0.000 0.425 210 V N 7.438 127.333 119.914 -0.031 0.000 2.472 210 V HA 0.556 4.676 4.120 -0.001 0.000 0.290 210 V C -0.098 175.981 176.094 -0.025 0.000 1.037 210 V CA -0.406 61.885 62.300 -0.014 0.000 0.908 210 V CB 1.606 33.468 31.823 0.065 0.000 0.985 210 V HN 0.681 nan 8.190 nan 0.000 0.454 211 I N 3.984 124.536 120.570 -0.031 0.000 2.382 211 I HA 0.681 4.851 4.170 -0.001 0.000 0.286 211 I C 0.241 176.371 176.117 0.023 0.000 1.002 211 I CA -0.475 60.821 61.300 -0.008 0.000 1.135 211 I CB 1.675 39.659 38.000 -0.028 0.000 1.288 211 I HN 0.669 nan 8.210 nan 0.000 0.448 212 A N 4.630 127.480 122.820 0.050 0.000 2.312 212 A HA 0.926 5.246 4.320 -0.001 0.000 0.326 212 A C 0.105 177.712 177.584 0.038 0.000 1.172 212 A CA -0.311 51.758 52.037 0.054 0.000 0.821 212 A CB 1.307 20.348 19.000 0.070 0.000 1.166 212 A HN 0.830 nan 8.150 nan 0.000 0.493 213 G N -0.607 108.196 108.800 0.005 0.000 3.176 213 G HA2 0.463 4.422 3.960 -0.001 0.000 0.272 213 G HA3 0.463 4.422 3.960 -0.001 0.000 0.272 213 G C 0.641 175.477 174.900 -0.107 0.000 1.349 213 G CA 0.251 45.319 45.100 -0.053 0.000 0.953 213 G HN 0.977 nan 8.290 nan 0.000 0.559 214 H N -0.727 118.149 119.070 -0.323 0.000 2.457 214 H HA 0.029 4.585 4.556 -0.001 0.000 0.294 214 H C 1.469 176.723 175.328 -0.123 0.000 1.064 214 H CA 1.697 57.580 56.048 -0.275 0.000 1.330 214 H CB -0.026 29.381 29.762 -0.593 0.000 1.395 214 H HN 0.636 nan 8.280 nan 0.000 0.541 215 E N 0.884 120.634 120.200 -0.750 0.000 2.268 215 E HA -0.047 4.302 4.350 -0.001 0.000 0.195 215 E C 2.429 179.076 176.600 0.079 0.000 0.995 215 E CA 0.797 56.940 56.400 -0.427 0.000 0.836 215 E CB 0.218 29.498 29.700 -0.701 0.000 0.763 215 E HN 0.254 nan 8.360 nan 0.000 0.491 216 V N 1.560 121.548 119.914 0.123 0.000 2.287 216 V HA -0.277 3.842 4.120 -0.001 0.000 0.248 216 V C 2.208 178.409 176.094 0.178 0.000 1.053 216 V CA 1.612 64.040 62.300 0.214 0.000 1.027 216 V CB -0.376 31.522 31.823 0.126 0.000 0.646 216 V HN 0.282 nan 8.190 nan 0.000 0.447 217 I N -0.074 120.565 120.570 0.114 0.000 2.252 217 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 217 I C 2.569 178.754 176.117 0.114 0.000 1.102 217 I CA 1.431 62.797 61.300 0.111 0.000 1.385 217 I CB -0.493 37.574 38.000 0.112 0.000 1.064 217 I HN 0.249 nan 8.210 nan 0.000 0.414 218 S N 0.646 116.410 115.700 0.106 0.000 2.380 218 S HA -0.195 4.274 4.470 -0.001 0.000 0.229 218 S C 1.627 176.206 174.600 -0.035 0.000 1.043 218 S CA 1.739 59.962 58.200 0.039 0.000 1.038 218 S CB -0.387 62.824 63.200 0.018 0.000 0.872 218 S HN 0.343 nan 8.310 nan 0.000 0.456 219 F N 0.815 120.810 119.950 0.074 0.000 2.727 219 F HA 0.317 4.843 4.527 -0.001 0.000 0.302 219 F C 1.650 177.484 175.800 0.056 0.000 1.097 219 F CA 0.106 58.155 58.000 0.083 0.000 1.330 219 F CB 0.006 39.091 39.000 0.141 0.000 1.084 219 F HN 0.297 nan 8.300 nan 0.000 0.578 220 G N 1.170 110.073 108.800 0.171 0.000 2.273 220 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.280 220 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.280 220 G C 0.683 175.650 174.900 0.112 0.000 1.047 220 G CA 0.292 45.460 45.100 0.112 0.000 0.869 220 G HN 0.455 nan 8.290 nan 0.000 0.502 221 L N -0.878 120.422 121.223 0.129 0.000 2.628 221 L HA 0.219 4.559 4.340 -0.001 0.000 0.229 221 L C 2.222 179.122 176.870 0.049 0.000 1.137 221 L CA 0.279 55.161 54.840 0.071 0.000 0.909 221 L CB 0.079 42.161 42.059 0.038 0.000 1.137 221 L HN 0.274 nan 8.230 nan 0.000 0.470 222 E N 0.316 120.551 120.200 0.058 0.000 2.058 222 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 222 E C 1.925 178.546 176.600 0.034 0.000 0.997 222 E CA 1.090 57.516 56.400 0.043 0.000 0.801 222 E CB 0.055 29.777 29.700 0.037 0.000 0.746 222 E HN 0.156 nan 8.360 nan 0.000 0.450 223 K N 0.145 120.565 120.400 0.032 0.000 2.147 223 K HA -0.035 4.284 4.320 -0.001 0.000 0.205 223 K C 2.213 178.835 176.600 0.037 0.000 1.049 223 K CA 1.213 57.518 56.287 0.029 0.000 0.936 223 K CB -0.553 31.963 32.500 0.026 0.000 0.722 223 K HN 0.176 nan 8.250 nan 0.000 0.446 224 T N 1.409 115.983 114.554 0.032 0.000 2.737 224 T HA -0.083 4.266 4.350 -0.001 0.000 0.265 224 T C 2.122 176.860 174.700 0.064 0.000 1.038 224 T CA 1.307 63.424 62.100 0.029 0.000 1.144 224 T CB -0.191 68.670 68.868 -0.012 0.000 0.866 224 T HN -0.088 nan 8.240 nan 0.000 0.434 225 V N 1.548 121.498 119.914 0.059 0.000 2.343 225 V HA -0.177 3.943 4.120 -0.001 0.000 0.247 225 V C 2.789 178.968 176.094 0.143 0.000 1.051 225 V CA 1.924 64.295 62.300 0.118 0.000 1.036 225 V CB -1.214 30.657 31.823 0.081 0.000 0.654 225 V HN 0.516 nan 8.190 nan 0.000 0.451 226 T N -0.610 113.991 114.554 0.079 0.000 2.720 226 T HA -0.289 4.061 4.350 -0.001 0.000 0.268 226 T C 1.971 176.706 174.700 0.059 0.000 1.037 226 T CA 2.021 64.151 62.100 0.050 0.000 1.144 226 T CB -0.241 68.638 68.868 0.019 0.000 0.864 226 T HN 0.428 nan 8.240 nan 0.000 0.444 227 Q N 0.350 120.197 119.800 0.077 0.000 2.084 227 Q HA -0.050 4.290 4.340 -0.001 0.000 0.202 227 Q C 1.880 177.951 176.000 0.117 0.000 0.978 227 Q CA 1.436 57.286 55.803 0.079 0.000 0.844 227 Q CB -0.744 28.040 28.738 0.076 0.000 0.898 227 Q HN 0.527 nan 8.270 nan 0.000 0.426 228 F N -0.323 119.631 119.950 0.007 0.000 2.095 228 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 228 F C 1.846 177.662 175.800 0.027 0.000 1.104 228 F CA 1.592 59.599 58.000 0.013 0.000 1.232 228 F CB -0.629 38.372 39.000 0.002 0.000 0.987 228 F HN -0.017 nan 8.300 nan 0.000 0.475 229 V N -0.590 119.251 119.914 -0.121 0.000 2.427 229 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 229 V C 2.546 178.557 176.094 -0.139 0.000 1.051 229 V CA 1.977 64.152 62.300 -0.209 0.000 1.048 229 V CB -0.964 30.833 31.823 -0.044 0.000 0.666 229 V HN 0.368 nan 8.190 nan 0.000 0.456 230 S N -0.418 115.246 115.700 -0.059 0.000 2.356 230 S HA -0.223 4.247 4.470 -0.001 0.000 0.223 230 S C 1.955 176.536 174.600 -0.031 0.000 1.032 230 S CA 1.719 59.902 58.200 -0.027 0.000 1.005 230 S CB -0.233 62.966 63.200 -0.000 0.000 0.867 230 S HN 0.703 nan 8.310 nan 0.000 0.449 231 E N 0.223 120.396 120.200 -0.045 0.000 2.106 231 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 231 E C 2.222 178.789 176.600 -0.055 0.000 0.984 231 E CA 1.563 57.947 56.400 -0.028 0.000 0.806 231 E CB -0.158 29.545 29.700 0.006 0.000 0.750 231 E HN 0.683 nan 8.360 nan 0.000 0.458 232 T N -1.989 112.471 114.554 -0.157 0.000 3.057 232 T HA 0.097 4.447 4.350 -0.001 0.000 0.254 232 T C 0.738 175.424 174.700 -0.024 0.000 1.094 232 T CA 0.068 62.079 62.100 -0.149 0.000 1.088 232 T CB 0.017 68.648 68.868 -0.395 0.000 0.934 232 T HN 0.053 nan 8.240 nan 0.000 0.497 233 K N 0.523 120.924 120.400 0.001 0.000 3.341 233 K HA -0.129 4.191 4.320 -0.001 0.000 0.305 233 K C -0.351 176.376 176.600 0.212 0.000 1.270 233 K CA 0.246 56.624 56.287 0.153 0.000 0.897 233 K CB -2.436 30.221 32.500 0.261 0.000 1.264 233 K HN 0.462 nan 8.250 nan 0.000 0.468 234 L N 1.856 123.085 121.223 0.011 0.000 2.453 234 L HA 0.115 4.455 4.340 -0.001 0.000 0.272 234 L C -1.793 175.020 176.870 -0.094 0.000 1.182 234 L CA -1.721 53.085 54.840 -0.057 0.000 0.858 234 L CB 0.053 42.049 42.059 -0.106 0.000 1.120 234 L HN -0.180 nan 8.230 nan 0.000 0.474 235 P HA 0.143 nan 4.420 nan 0.000 0.265 235 P C -0.800 176.414 177.300 -0.144 0.000 1.193 235 P CA 0.258 63.247 63.100 -0.186 0.000 0.765 235 P CB 0.684 32.287 31.700 -0.161 0.000 0.823 236 I N 1.398 121.865 120.570 -0.171 0.000 2.722 236 I HA 0.540 4.710 4.170 -0.001 0.000 0.295 236 I C -0.894 175.144 176.117 -0.131 0.000 1.161 236 I CA -0.303 60.955 61.300 -0.070 0.000 1.032 236 I CB 2.309 40.336 38.000 0.044 0.000 1.244 236 I HN 0.233 nan 8.210 nan 0.000 0.421 237 T N 3.648 118.153 114.554 -0.082 0.000 2.901 237 T HA 0.754 5.103 4.350 -0.001 0.000 0.293 237 T C -0.800 173.947 174.700 0.078 0.000 1.084 237 T CA -0.117 61.914 62.100 -0.115 0.000 1.008 237 T CB 1.598 70.375 68.868 -0.153 0.000 1.170 237 T HN 0.795 nan 8.240 nan 0.000 0.509 238 T N 0.914 115.553 114.554 0.142 0.000 2.916 238 T HA 0.729 5.079 4.350 -0.001 0.000 0.292 238 T C -0.092 174.668 174.700 0.100 0.000 1.064 238 T CA -0.923 61.253 62.100 0.127 0.000 1.011 238 T CB 0.788 69.737 68.868 0.135 0.000 1.152 238 T HN 0.538 nan 8.240 nan 0.000 0.510 239 L N 1.976 123.259 121.223 0.100 0.000 2.479 239 L HA 0.318 4.657 4.340 -0.001 0.000 0.248 239 L C 1.903 178.808 176.870 0.059 0.000 1.205 239 L CA -0.881 54.016 54.840 0.095 0.000 0.817 239 L CB 0.172 42.312 42.059 0.134 0.000 1.162 239 L HN 0.939 nan 8.230 nan 0.000 0.486 240 N N -0.669 118.062 118.700 0.052 0.000 2.512 240 N HA -0.159 4.580 4.740 -0.001 0.000 0.183 240 N C 0.080 175.750 175.510 0.267 0.000 1.073 240 N CA 0.594 53.662 53.050 0.030 0.000 0.911 240 N CB -0.141 38.326 38.487 -0.032 0.000 0.964 240 N HN 0.350 nan 8.380 nan 0.000 0.447 241 F N 1.483 121.486 119.950 0.088 0.000 2.368 241 F HA 0.551 5.078 4.527 -0.001 0.000 0.362 241 F C 1.142 177.017 175.800 0.124 0.000 1.137 241 F CA -0.869 57.180 58.000 0.081 0.000 1.161 241 F CB -0.059 38.945 39.000 0.007 0.000 1.265 241 F HN 0.317 nan 8.300 nan 0.000 0.530 242 G N 4.252 113.197 108.800 0.242 0.000 2.138 242 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.193 242 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.193 242 G C 0.334 175.293 174.900 0.098 0.000 0.998 242 G CA -0.137 45.033 45.100 0.117 0.000 0.668 242 G HN 0.733 nan 8.290 nan 0.000 0.516 243 K N 0.930 121.380 120.400 0.084 0.000 2.484 243 K HA 0.350 4.670 4.320 -0.001 0.000 0.280 243 K C 1.525 178.134 176.600 0.014 0.000 1.013 243 K CA 1.174 57.420 56.287 -0.068 0.000 1.029 243 K CB 0.070 32.311 32.500 -0.433 0.000 0.902 243 K HN 1.597 nan 8.250 nan 0.000 0.481 244 S N 0.968 116.631 115.700 -0.062 0.000 3.091 244 S HA -0.223 4.247 4.470 -0.001 0.000 0.275 244 S C 0.988 175.583 174.600 -0.008 0.000 1.306 244 S CA 0.696 58.868 58.200 -0.047 0.000 1.083 244 S CB -2.214 61.008 63.200 0.038 0.000 1.313 244 S HN 0.846 nan 8.310 nan 0.000 0.673 245 A N 0.662 123.489 122.820 0.013 0.000 2.076 245 A HA 0.400 4.719 4.320 -0.001 0.000 0.220 245 A C 1.342 178.935 177.584 0.015 0.000 1.160 245 A CA 1.564 53.620 52.037 0.032 0.000 0.653 245 A CB -0.560 18.467 19.000 0.045 0.000 0.801 245 A HN 2.075 nan 8.150 nan 0.000 0.455 246 V N -4.019 115.877 119.914 -0.031 0.000 3.102 246 V HA 0.507 4.626 4.120 -0.001 0.000 0.312 246 V C -0.867 175.132 176.094 -0.158 0.000 1.135 246 V CA -1.302 60.966 62.300 -0.053 0.000 1.022 246 V CB 1.660 33.478 31.823 -0.008 0.000 1.056 246 V HN 0.135 nan 8.190 nan 0.000 0.436 247 D N 1.379 121.699 120.400 -0.134 0.000 2.371 247 D HA 0.138 4.777 4.640 -0.001 0.000 0.256 247 D C 0.902 177.010 176.300 -0.320 0.000 1.193 247 D CA 0.309 54.205 54.000 -0.172 0.000 0.881 247 D CB 1.490 42.238 40.800 -0.086 0.000 1.143 247 D HN 0.770 nan 8.370 nan 0.000 0.473 248 E N 1.328 121.241 120.200 -0.478 0.000 2.482 248 E HA -0.096 4.254 4.350 -0.001 0.000 0.196 248 E C 1.653 178.138 176.600 -0.192 0.000 1.047 248 E CA 0.214 56.135 56.400 -0.799 0.000 0.869 248 E CB 0.234 29.443 29.700 -0.818 0.000 0.836 248 E HN 0.452 nan 8.360 nan 0.000 0.520 249 S N 0.396 116.041 115.700 -0.091 0.000 2.496 249 S HA 0.015 4.484 4.470 -0.001 0.000 0.224 249 S C 1.072 175.680 174.600 0.013 0.000 0.996 249 S CA -0.215 57.986 58.200 0.001 0.000 0.927 249 S CB -0.309 62.887 63.200 -0.008 0.000 0.774 249 S HN 0.100 nan 8.310 nan 0.000 0.524 250 L N 2.730 123.951 121.223 -0.004 0.000 2.593 250 L HA 0.056 4.396 4.340 -0.001 0.000 0.287 250 L C -0.912 175.947 176.870 -0.018 0.000 1.243 250 L CA -1.012 53.826 54.840 -0.004 0.000 0.890 250 L CB -0.076 41.979 42.059 -0.007 0.000 1.134 250 L HN 0.158 nan 8.230 nan 0.000 0.502 251 P HA -0.136 nan 4.420 nan 0.000 0.220 251 P C 1.165 178.202 177.300 -0.439 0.000 1.148 251 P CA 1.141 64.172 63.100 -0.115 0.000 0.803 251 P CB 0.162 31.859 31.700 -0.005 0.000 0.782 252 S N -1.979 113.375 115.700 -0.577 0.000 2.593 252 S HA 0.045 4.515 4.470 -0.001 0.000 0.217 252 S C 0.421 174.705 174.600 -0.526 0.000 0.966 252 S CA -0.670 56.871 58.200 -1.098 0.000 0.914 252 S CB -1.198 61.594 63.200 -0.680 0.000 0.776 252 S HN -0.027 nan 8.310 nan 0.000 0.523 253 F N 2.575 122.320 119.950 -0.341 0.000 2.472 253 F HA 0.424 4.950 4.527 -0.001 0.000 0.364 253 F C 0.807 176.541 175.800 -0.111 0.000 1.090 253 F CA -1.018 56.879 58.000 -0.171 0.000 1.188 253 F CB 0.432 39.398 39.000 -0.057 0.000 1.105 253 F HN -0.020 nan 8.300 nan 0.000 0.536 254 L N 5.148 125.868 121.223 -0.839 0.000 2.249 254 L HA 0.347 4.687 4.340 -0.001 0.000 0.207 254 L C 1.302 177.859 176.870 -0.521 0.000 1.090 254 L CA 0.616 55.108 54.840 -0.580 0.000 0.802 254 L CB -0.881 40.873 42.059 -0.509 0.000 0.947 254 L HN 0.923 nan 8.230 nan 0.000 0.453 255 G N -0.173 107.882 108.800 -1.243 0.000 2.334 255 G HA2 0.004 3.964 3.960 -0.001 0.000 0.315 255 G HA3 0.004 3.964 3.960 -0.001 0.000 0.315 255 G C -1.278 173.285 174.900 -0.562 0.000 1.284 255 G CA -1.002 43.629 45.100 -0.782 0.000 0.985 255 G HN -0.172 nan 8.290 nan 0.000 0.504 256 I N 0.971 121.364 120.570 -0.295 0.000 2.325 256 I HA 0.298 4.467 4.170 -0.001 0.000 0.291 256 I C -0.094 175.997 176.117 -0.043 0.000 1.019 256 I CA -0.666 60.551 61.300 -0.138 0.000 1.302 256 I CB 0.830 38.716 38.000 -0.191 0.000 1.401 256 I HN 0.522 nan 8.210 nan 0.000 0.485 257 Y N 7.459 127.695 120.300 -0.107 0.000 2.393 257 Y HA 0.218 4.767 4.550 -0.001 0.000 0.338 257 Y C 0.346 176.223 175.900 -0.040 0.000 1.029 257 Y CA -0.165 57.901 58.100 -0.058 0.000 1.239 257 Y CB 0.448 38.890 38.460 -0.030 0.000 1.170 257 Y HN 0.566 nan 8.280 nan 0.000 0.515 258 N N 4.722 123.140 118.700 -0.471 0.000 2.672 258 N HA 0.288 5.028 4.740 -0.001 0.000 0.295 258 N C 0.296 175.504 175.510 -0.503 0.000 1.924 258 N CA 0.629 53.432 53.050 -0.410 0.000 0.851 258 N CB 0.080 38.444 38.487 -0.206 0.000 1.281 258 N HN 1.059 nan 8.380 nan 0.000 0.494 259 G N 2.197 110.468 108.800 -0.882 0.000 2.614 259 G HA2 -0.433 3.527 3.960 -0.001 0.000 0.303 259 G HA3 -0.433 3.527 3.960 -0.001 0.000 0.303 259 G C 0.938 175.680 174.900 -0.264 0.000 1.270 259 G CA 0.837 45.631 45.100 -0.509 0.000 0.988 259 G HN 0.633 nan 8.290 nan 0.000 0.551 260 K N 0.441 120.770 120.400 -0.119 0.000 2.362 260 K HA 0.189 4.509 4.320 -0.001 0.000 0.200 260 K C 2.218 178.781 176.600 -0.062 0.000 1.046 260 K CA 1.665 57.931 56.287 -0.036 0.000 0.952 260 K CB -0.161 32.336 32.500 -0.005 0.000 0.753 260 K HN 0.474 nan 8.250 nan 0.000 0.466 261 L N 1.863 123.015 121.223 -0.117 0.000 2.599 261 L HA 0.100 4.439 4.340 -0.001 0.000 0.230 261 L C 0.231 177.044 176.870 -0.095 0.000 1.141 261 L CA -0.455 54.320 54.840 -0.108 0.000 0.877 261 L CB -0.084 41.892 42.059 -0.139 0.000 1.009 261 L HN 0.068 nan 8.230 nan 0.000 0.447 262 S N 0.426 116.067 115.700 -0.098 0.000 2.579 262 S HA -0.014 4.455 4.470 -0.001 0.000 0.275 262 S C 0.501 175.102 174.600 0.001 0.000 1.345 262 S CA -0.386 57.785 58.200 -0.049 0.000 1.031 262 S CB 0.813 64.024 63.200 0.018 0.000 0.892 262 S HN 0.199 nan 8.310 nan 0.000 0.529 263 E N 0.842 121.049 120.200 0.012 0.000 2.502 263 E HA -0.077 4.273 4.350 -0.001 0.000 0.261 263 E C 0.973 177.609 176.600 0.059 0.000 0.974 263 E CA -0.149 56.272 56.400 0.035 0.000 0.936 263 E CB 0.339 30.067 29.700 0.047 0.000 0.926 263 E HN 0.559 nan 8.360 nan 0.000 0.459 264 I N 4.377 124.980 120.570 0.055 0.000 2.163 264 I HA -0.322 3.848 4.170 -0.001 0.000 0.243 264 I C 2.363 178.532 176.117 0.086 0.000 1.085 264 I CA 2.309 63.648 61.300 0.065 0.000 1.347 264 I CB -0.510 37.520 38.000 0.049 0.000 1.044 264 I HN 0.659 nan 8.210 nan 0.000 0.408 265 S N 0.251 116.001 115.700 0.083 0.000 2.382 265 S HA -0.230 4.239 4.470 -0.001 0.000 0.228 265 S C 2.194 176.876 174.600 0.137 0.000 1.027 265 S CA 1.517 59.780 58.200 0.106 0.000 0.991 265 S CB -1.294 61.961 63.200 0.091 0.000 0.823 265 S HN 0.569 nan 8.310 nan 0.000 0.469 266 L N 1.259 122.544 121.223 0.103 0.000 1.994 266 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 266 L C 2.772 179.747 176.870 0.175 0.000 1.071 266 L CA 2.036 56.934 54.840 0.098 0.000 0.745 266 L CB -0.489 41.600 42.059 0.050 0.000 0.892 266 L HN 0.340 nan 8.230 nan 0.000 0.431 267 K N -0.193 120.326 120.400 0.199 0.000 2.020 267 K HA -0.250 4.069 4.320 -0.001 0.000 0.212 267 K C 1.891 178.608 176.600 0.195 0.000 1.050 267 K CA 2.168 58.614 56.287 0.265 0.000 0.929 267 K CB -0.109 32.516 32.500 0.207 0.000 0.714 267 K HN 0.376 nan 8.250 nan 0.000 0.443 268 N N 0.031 118.821 118.700 0.151 0.000 2.166 268 N HA -0.174 4.565 4.740 -0.001 0.000 0.186 268 N C 1.593 177.164 175.510 0.103 0.000 1.019 268 N CA 1.172 54.286 53.050 0.107 0.000 0.856 268 N CB -0.383 38.157 38.487 0.089 0.000 0.993 268 N HN 0.206 nan 8.380 nan 0.000 0.426 269 F N 1.426 121.384 119.950 0.014 0.000 2.060 269 F HA -0.153 4.374 4.527 -0.001 0.000 0.295 269 F C 2.203 177.975 175.800 -0.045 0.000 1.120 269 F CA 0.958 58.956 58.000 -0.004 0.000 1.205 269 F CB -0.232 38.770 39.000 0.002 0.000 0.986 269 F HN -0.222 nan 8.300 nan 0.000 0.470 270 V N 0.435 120.480 119.914 0.218 0.000 2.287 270 V HA -0.323 3.797 4.120 -0.001 0.000 0.248 270 V C 1.929 177.971 176.094 -0.085 0.000 1.053 270 V CA 2.403 64.692 62.300 -0.019 0.000 1.027 270 V CB -0.734 30.866 31.823 -0.371 0.000 0.646 270 V HN 0.377 nan 8.190 nan 0.000 0.447 271 E N 0.267 120.450 120.200 -0.028 0.000 2.481 271 E HA -0.057 4.293 4.350 -0.001 0.000 0.195 271 E C 1.984 178.573 176.600 -0.019 0.000 1.047 271 E CA 0.969 57.375 56.400 0.010 0.000 0.867 271 E CB -0.012 29.747 29.700 0.098 0.000 0.858 271 E HN 0.749 nan 8.360 nan 0.000 0.513 272 S N -0.019 115.644 115.700 -0.061 0.000 2.540 272 S HA 0.315 4.784 4.470 -0.001 0.000 0.218 272 S C 0.931 175.452 174.600 -0.130 0.000 0.977 272 S CA -0.320 57.824 58.200 -0.094 0.000 0.918 272 S CB 0.428 63.558 63.200 -0.117 0.000 0.806 272 S HN 0.160 nan 8.310 nan 0.000 0.496 273 A N 2.879 125.613 122.820 -0.142 0.000 2.540 273 A HA 0.280 4.600 4.320 -0.001 0.000 0.239 273 A C 1.146 178.715 177.584 -0.025 0.000 1.061 273 A CA 0.332 52.298 52.037 -0.118 0.000 0.758 273 A CB 0.080 19.037 19.000 -0.071 0.000 0.991 273 A HN 0.561 nan 8.150 nan 0.000 0.502 274 D N 0.296 120.710 120.400 0.024 0.000 2.349 274 D HA 0.107 4.746 4.640 -0.001 0.000 0.215 274 D C -0.145 176.289 176.300 0.224 0.000 1.016 274 D CA 0.290 54.343 54.000 0.088 0.000 0.870 274 D CB 0.002 40.841 40.800 0.066 0.000 0.917 274 D HN 0.293 nan 8.370 nan 0.000 0.524 275 F N 0.453 120.437 119.950 0.056 0.000 2.596 275 F HA 0.503 5.029 4.527 -0.001 0.000 0.311 275 F C -2.007 173.839 175.800 0.075 0.000 1.116 275 F CA -1.574 56.491 58.000 0.108 0.000 0.957 275 F CB 1.379 40.459 39.000 0.133 0.000 1.250 275 F HN -0.252 nan 8.300 nan 0.000 0.444 276 I N 6.789 126.891 120.570 -0.779 0.000 2.436 276 I HA 0.395 4.565 4.170 -0.001 0.000 0.289 276 I C -1.485 174.021 176.117 -1.017 0.000 1.010 276 I CA -0.996 59.900 61.300 -0.673 0.000 1.098 276 I CB 1.892 39.712 38.000 -0.300 0.000 1.266 276 I HN 0.490 nan 8.210 nan 0.000 0.434 277 L N 7.854 128.643 121.223 -0.724 0.000 2.276 277 L HA 0.537 4.877 4.340 -0.001 0.000 0.286 277 L C -0.619 176.145 176.870 -0.177 0.000 1.024 277 L CA -0.107 54.497 54.840 -0.394 0.000 0.826 277 L CB 0.812 42.794 42.059 -0.128 0.000 1.211 277 L HN 0.513 nan 8.230 nan 0.000 0.422 278 M N 6.674 126.193 119.600 -0.136 0.000 2.157 278 M HA 0.397 4.877 4.480 -0.001 0.000 0.354 278 M C -1.051 175.249 176.300 0.000 0.000 1.170 278 M CA -0.332 54.935 55.300 -0.055 0.000 1.060 278 M CB 1.325 33.898 32.600 -0.045 0.000 1.615 278 M HN 0.455 nan 8.290 nan 0.000 0.460 279 L N 2.581 123.829 121.223 0.041 0.000 2.318 279 L HA 0.465 4.804 4.340 -0.001 0.000 0.277 279 L C 0.849 177.813 176.870 0.156 0.000 1.008 279 L CA -0.451 54.468 54.840 0.132 0.000 0.846 279 L CB 1.401 43.506 42.059 0.076 0.000 1.220 279 L HN 1.085 nan 8.230 nan 0.000 0.423 280 G N 2.739 111.624 108.800 0.141 0.000 2.221 280 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.265 280 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.265 280 G C -0.154 174.598 174.900 -0.247 0.000 1.041 280 G CA -0.033 44.964 45.100 -0.172 0.000 0.807 280 G HN 0.374 nan 8.290 nan 0.000 0.502 281 V N -0.039 119.807 119.914 -0.114 0.000 2.539 281 V HA 0.628 4.747 4.120 -0.001 0.000 0.292 281 V C 0.452 176.547 176.094 0.002 0.000 1.045 281 V CA -0.357 61.909 62.300 -0.056 0.000 0.945 281 V CB 1.827 33.649 31.823 -0.002 0.000 0.993 281 V HN 0.326 nan 8.190 nan 0.000 0.464 282 K N 4.582 125.030 120.400 0.081 0.000 2.397 282 K HA 0.583 4.903 4.320 -0.001 0.000 0.253 282 K C -1.426 175.309 176.600 0.225 0.000 0.932 282 K CA -0.678 55.720 56.287 0.185 0.000 0.795 282 K CB 2.289 34.984 32.500 0.326 0.000 1.159 282 K HN 0.478 nan 8.250 nan 0.000 0.424 283 L N 3.391 124.702 121.223 0.146 0.000 2.295 283 L HA 0.236 4.575 4.340 -0.001 0.000 0.288 283 L C 0.606 177.584 176.870 0.180 0.000 1.079 283 L CA -0.248 54.634 54.840 0.070 0.000 0.830 283 L CB 0.522 42.520 42.059 -0.103 0.000 1.200 283 L HN 0.731 nan 8.230 nan 0.000 0.438 284 T N -2.954 111.669 114.554 0.115 0.000 2.940 284 T HA 0.262 4.612 4.350 -0.001 0.000 0.288 284 T C 0.851 175.355 174.700 -0.327 0.000 1.045 284 T CA -0.565 61.573 62.100 0.064 0.000 1.018 284 T CB 1.798 70.654 68.868 -0.019 0.000 1.151 284 T HN 0.570 nan 8.240 nan 0.000 0.529 285 D N 1.412 121.497 120.400 -0.524 0.000 2.104 285 D HA -0.144 4.496 4.640 -0.001 0.000 0.194 285 D C 1.853 177.874 176.300 -0.465 0.000 0.994 285 D CA 1.664 55.106 54.000 -0.931 0.000 0.830 285 D CB -1.065 39.455 40.800 -0.467 0.000 0.959 285 D HN 0.450 nan 8.370 nan 0.000 0.452 286 S N -0.562 115.039 115.700 -0.165 0.000 2.481 286 S HA -0.041 4.428 4.470 -0.001 0.000 0.231 286 S C 1.734 176.344 174.600 0.016 0.000 0.996 286 S CA 0.902 59.114 58.200 0.020 0.000 0.942 286 S CB -0.171 63.126 63.200 0.160 0.000 0.768 286 S HN 0.566 nan 8.310 nan 0.000 0.520 287 S N 0.456 116.116 115.700 -0.066 0.000 2.539 287 S HA 0.095 4.564 4.470 -0.001 0.000 0.221 287 S C 1.018 175.555 174.600 -0.106 0.000 0.987 287 S CA 0.232 58.428 58.200 -0.007 0.000 0.929 287 S CB 0.015 63.283 63.200 0.112 0.000 0.832 287 S HN 0.464 nan 8.310 nan 0.000 0.492 288 T N -2.765 111.660 114.554 -0.214 0.000 3.337 288 T HA 0.534 4.883 4.350 -0.001 0.000 0.299 288 T C 1.099 175.657 174.700 -0.237 0.000 0.998 288 T CA 0.187 62.143 62.100 -0.240 0.000 0.948 288 T CB -0.108 68.623 68.868 -0.227 0.000 1.170 288 T HN 1.036 nan 8.240 nan 0.000 0.508 289 G N 1.572 110.215 108.800 -0.261 0.000 2.323 289 G HA2 0.136 4.095 3.960 -0.001 0.000 0.292 289 G HA3 0.136 4.095 3.960 -0.001 0.000 0.292 289 G C 0.713 175.444 174.900 -0.283 0.000 1.040 289 G CA 0.285 45.227 45.100 -0.262 0.000 0.942 289 G HN 2.011 nan 8.290 nan 0.000 0.506 290 A N -1.112 121.461 122.820 -0.413 0.000 2.734 290 A HA 0.127 4.446 4.320 -0.001 0.000 0.296 290 A C 1.103 178.579 177.584 -0.179 0.000 1.474 290 A CA 0.933 52.707 52.037 -0.437 0.000 0.735 290 A CB -2.094 16.729 19.000 -0.295 0.000 1.062 290 A HN 2.149 nan 8.150 nan 0.000 0.463 291 F N -2.575 117.391 119.950 0.027 0.000 3.080 291 F HA -0.237 4.289 4.527 -0.001 0.000 0.292 291 F C 1.377 177.188 175.800 0.018 0.000 0.891 291 F CA 1.919 60.012 58.000 0.154 0.000 1.086 291 F CB -2.554 36.507 39.000 0.101 0.000 1.095 291 F HN 1.143 nan 8.300 nan 0.000 0.633 292 T N -3.242 111.355 114.554 0.072 0.000 3.186 292 T HA 0.144 4.494 4.350 -0.001 0.000 0.257 292 T C 0.657 175.206 174.700 -0.252 0.000 1.029 292 T CA 0.126 62.155 62.100 -0.118 0.000 0.916 292 T CB -0.324 68.496 68.868 -0.080 0.000 1.041 292 T HN 0.555 nan 8.240 nan 0.000 0.562 293 H N 0.581 119.523 119.070 -0.215 0.000 2.679 293 H HA 0.261 4.817 4.556 -0.001 0.000 0.369 293 H C -0.858 174.301 175.328 -0.281 0.000 1.178 293 H CA -0.159 55.830 56.048 -0.099 0.000 1.419 293 H CB 0.284 30.110 29.762 0.106 0.000 1.458 293 H HN 0.325 nan 8.280 nan 0.000 0.605 294 H N 2.682 121.905 119.070 0.256 0.000 2.716 294 H HA 0.323 4.878 4.556 -0.001 0.000 0.260 294 H C -0.551 174.860 175.328 0.137 0.000 1.280 294 H CA -0.437 55.675 56.048 0.106 0.000 1.506 294 H CB 0.533 30.345 29.762 0.083 0.000 1.514 294 H HN 0.418 nan 8.280 nan 0.000 0.502 295 L N 2.444 123.801 121.223 0.223 0.000 2.342 295 L HA 0.193 4.532 4.340 -0.001 0.000 0.276 295 L C 0.163 177.106 176.870 0.122 0.000 0.997 295 L CA -0.727 54.209 54.840 0.159 0.000 0.838 295 L CB 1.969 44.143 42.059 0.191 0.000 1.224 295 L HN 0.325 nan 8.230 nan 0.000 0.416 296 D N 3.755 124.208 120.400 0.089 0.000 2.352 296 D HA -0.017 4.622 4.640 -0.001 0.000 0.245 296 D C 1.352 177.707 176.300 0.092 0.000 1.224 296 D CA -0.127 53.925 54.000 0.087 0.000 0.879 296 D CB 1.109 41.955 40.800 0.078 0.000 1.057 296 D HN 0.548 nan 8.370 nan 0.000 0.491 297 E N 3.778 124.033 120.200 0.092 0.000 2.187 297 E HA -0.290 4.060 4.350 -0.001 0.000 0.199 297 E C 0.626 177.318 176.600 0.153 0.000 1.004 297 E CA 1.068 57.526 56.400 0.096 0.000 0.813 297 E CB -0.311 29.439 29.700 0.084 0.000 0.736 297 E HN 0.434 nan 8.360 nan 0.000 0.468 298 N N 1.178 119.971 118.700 0.155 0.000 2.453 298 N HA -0.058 4.682 4.740 -0.001 0.000 0.183 298 N C 0.748 176.437 175.510 0.299 0.000 1.041 298 N CA 0.841 54.008 53.050 0.194 0.000 0.900 298 N CB 0.021 38.573 38.487 0.109 0.000 0.961 298 N HN 0.380 nan 8.380 nan 0.000 0.443 299 K N -0.233 120.342 120.400 0.292 0.000 2.514 299 K HA 0.289 4.609 4.320 -0.001 0.000 0.207 299 K C 0.009 176.865 176.600 0.427 0.000 1.035 299 K CA -0.108 56.409 56.287 0.383 0.000 1.113 299 K CB 0.893 33.516 32.500 0.205 0.000 0.846 299 K HN 0.054 nan 8.250 nan 0.000 0.491 300 M N 1.419 121.193 119.600 0.290 0.000 2.464 300 M HA 0.442 4.921 4.480 -0.001 0.000 0.308 300 M C -1.691 174.390 176.300 -0.366 0.000 1.127 300 M CA -0.786 54.463 55.300 -0.086 0.000 0.913 300 M CB 1.665 34.225 32.600 -0.066 0.000 1.689 300 M HN -0.025 nan 8.290 nan 0.000 0.445 301 I N 3.566 123.903 120.570 -0.389 0.000 2.355 301 I HA 0.319 4.489 4.170 -0.001 0.000 0.288 301 I C -0.392 175.598 176.117 -0.211 0.000 0.999 301 I CA -0.440 60.656 61.300 -0.340 0.000 1.163 301 I CB 1.921 39.789 38.000 -0.220 0.000 1.316 301 I HN 0.719 nan 8.210 nan 0.000 0.454 302 S N 7.553 123.160 115.700 -0.154 0.000 2.472 302 S HA 0.784 5.254 4.470 -0.001 0.000 0.303 302 S C -0.808 173.759 174.600 -0.054 0.000 1.099 302 S CA -0.789 57.362 58.200 -0.082 0.000 1.077 302 S CB 1.525 64.699 63.200 -0.043 0.000 1.031 302 S HN 0.477 nan 8.310 nan 0.000 0.487 303 L N 2.828 124.063 121.223 0.020 0.000 2.356 303 L HA 0.590 4.929 4.340 -0.001 0.000 0.277 303 L C -0.513 176.497 176.870 0.235 0.000 0.996 303 L CA -0.629 54.296 54.840 0.142 0.000 0.822 303 L CB 1.700 43.849 42.059 0.150 0.000 1.256 303 L HN 0.722 nan 8.230 nan 0.000 0.413 304 N N 1.166 119.982 118.700 0.195 0.000 2.509 304 N HA 0.500 5.240 4.740 -0.001 0.000 0.280 304 N C 0.878 176.225 175.510 -0.270 0.000 1.306 304 N CA -0.836 52.103 53.050 -0.185 0.000 0.782 304 N CB 2.251 40.674 38.487 -0.107 0.000 1.493 304 N HN 0.429 nan 8.380 nan 0.000 0.498 305 I N 0.131 120.327 120.570 -0.623 0.000 2.194 305 I HA -0.268 3.901 4.170 -0.001 0.000 0.246 305 I C 0.711 176.686 176.117 -0.235 0.000 1.093 305 I CA 1.493 62.551 61.300 -0.403 0.000 1.355 305 I CB -0.038 37.803 38.000 -0.265 0.000 1.046 305 I HN 0.540 nan 8.210 nan 0.000 0.413 306 D N 0.006 120.314 120.400 -0.153 0.000 2.305 306 D HA 0.028 4.667 4.640 -0.001 0.000 0.206 306 D C 0.522 176.792 176.300 -0.050 0.000 0.974 306 D CA 0.552 54.494 54.000 -0.097 0.000 0.871 306 D CB 0.270 41.044 40.800 -0.042 0.000 0.947 306 D HN 0.618 nan 8.370 nan 0.000 0.516 307 E N -1.638 118.600 120.200 0.063 0.000 2.422 307 E HA 0.566 4.916 4.350 -0.001 0.000 0.280 307 E C -0.863 175.988 176.600 0.419 0.000 1.091 307 E CA -1.189 55.361 56.400 0.250 0.000 0.849 307 E CB 0.913 30.696 29.700 0.138 0.000 1.353 307 E HN -0.084 nan 8.360 nan 0.000 0.449 308 G N 0.594 109.617 108.800 0.372 0.000 2.519 308 G HA2 0.638 4.598 3.960 -0.001 0.000 0.307 308 G HA3 0.638 4.598 3.960 -0.001 0.000 0.307 308 G C -0.991 173.909 174.900 0.001 0.000 1.266 308 G CA -0.780 44.346 45.100 0.043 0.000 0.970 308 G HN 0.363 nan 8.290 nan 0.000 0.481 309 I N 1.766 122.305 120.570 -0.052 0.000 2.439 309 I HA 0.301 4.471 4.170 -0.001 0.000 0.283 309 I C -1.033 175.010 176.117 -0.122 0.000 1.023 309 I CA -0.709 60.564 61.300 -0.046 0.000 1.100 309 I CB 1.403 39.396 38.000 -0.012 0.000 1.238 309 I HN 0.214 nan 8.210 nan 0.000 0.445 310 I N 7.049 127.549 120.570 -0.116 0.000 2.310 310 I HA 0.331 4.500 4.170 -0.001 0.000 0.287 310 I C -0.269 175.804 176.117 -0.074 0.000 1.073 310 I CA -0.344 60.830 61.300 -0.210 0.000 1.216 310 I CB -0.213 37.718 38.000 -0.115 0.000 1.415 310 I HN 0.299 nan 8.210 nan 0.000 0.480 311 F N 5.987 125.973 119.950 0.060 0.000 2.943 311 F HA -0.346 4.180 4.527 -0.001 0.000 0.258 311 F C 1.110 176.935 175.800 0.042 0.000 0.995 311 F CA 0.582 58.618 58.000 0.060 0.000 0.896 311 F CB -1.852 37.184 39.000 0.060 0.000 0.821 311 F HN 0.816 nan 8.300 nan 0.000 0.828 312 N N -2.419 116.361 118.700 0.134 0.000 2.980 312 N HA -0.251 4.489 4.740 -0.001 0.000 0.219 312 N C 0.460 176.014 175.510 0.073 0.000 0.883 312 N CA 1.284 54.392 53.050 0.096 0.000 1.018 312 N CB -0.526 38.023 38.487 0.105 0.000 1.041 312 N HN 0.671 nan 8.380 nan 0.000 0.592 313 K N 2.523 122.967 120.400 0.074 0.000 2.285 313 K HA 0.340 4.660 4.320 -0.001 0.000 0.286 313 K C -0.187 176.435 176.600 0.036 0.000 1.072 313 K CA -0.134 56.186 56.287 0.056 0.000 0.913 313 K CB 0.800 33.337 32.500 0.062 0.000 1.067 313 K HN -0.114 nan 8.250 nan 0.000 0.479 314 V N 5.404 125.344 119.914 0.043 0.000 2.555 314 V HA 0.131 4.250 4.120 -0.001 0.000 0.286 314 V C 0.163 176.293 176.094 0.061 0.000 1.044 314 V CA -0.476 61.853 62.300 0.050 0.000 1.026 314 V CB 0.964 32.820 31.823 0.055 0.000 0.981 314 V HN 0.591 nan 8.190 nan 0.000 0.480 315 V N 1.957 121.922 119.914 0.084 0.000 2.876 315 V HA 0.666 4.786 4.120 -0.001 0.000 0.312 315 V C -0.037 176.209 176.094 0.253 0.000 1.085 315 V CA -0.531 61.847 62.300 0.130 0.000 0.945 315 V CB 2.087 33.958 31.823 0.081 0.000 1.017 315 V HN 0.789 nan 8.190 nan 0.000 0.428 316 E N 0.647 120.984 120.200 0.229 0.000 2.536 316 E HA 0.078 4.428 4.350 -0.001 0.000 0.220 316 E C -0.342 176.327 176.600 0.115 0.000 0.876 316 E CA 0.416 56.920 56.400 0.173 0.000 1.190 316 E CB 0.550 30.293 29.700 0.071 0.000 1.191 316 E HN 0.992 nan 8.360 nan 0.000 0.557 317 D N 1.685 122.200 120.400 0.192 0.000 2.994 317 D HA 0.056 4.696 4.640 -0.001 0.000 0.240 317 D C -0.159 176.268 176.300 0.212 0.000 1.195 317 D CA -0.166 53.909 54.000 0.126 0.000 0.957 317 D CB -0.979 39.879 40.800 0.097 0.000 1.105 317 D HN 0.066 nan 8.370 nan 0.000 0.477 318 F N -1.769 118.188 119.950 0.011 0.000 2.668 318 F HA 0.506 5.032 4.527 -0.001 0.000 0.309 318 F C -1.590 174.216 175.800 0.010 0.000 1.117 318 F CA -1.580 56.423 58.000 0.004 0.000 0.951 318 F CB 1.279 40.278 39.000 -0.002 0.000 1.323 318 F HN -0.194 nan 8.300 nan 0.000 0.451 319 D N 2.122 122.518 120.400 -0.006 0.000 2.317 319 D HA 0.231 4.871 4.640 -0.001 0.000 0.234 319 D C 0.563 176.907 176.300 0.074 0.000 1.112 319 D CA -0.514 53.433 54.000 -0.088 0.000 0.840 319 D CB 0.855 41.636 40.800 -0.033 0.000 1.078 319 D HN 0.533 nan 8.370 nan 0.000 0.486 320 F N 4.813 124.650 119.950 -0.189 0.000 2.065 320 F HA -0.180 4.347 4.527 -0.001 0.000 0.298 320 F C 2.192 177.839 175.800 -0.255 0.000 1.112 320 F CA 1.675 59.622 58.000 -0.088 0.000 1.212 320 F CB -0.024 38.822 39.000 -0.256 0.000 0.975 320 F HN 0.425 nan 8.300 nan 0.000 0.476 321 R N 0.518 120.706 120.500 -0.520 0.000 2.083 321 R HA -0.191 4.148 4.340 -0.001 0.000 0.237 321 R C 2.358 178.463 176.300 -0.325 0.000 1.137 321 R CA 1.520 57.284 56.100 -0.561 0.000 0.951 321 R CB -0.856 29.199 30.300 -0.409 0.000 0.851 321 R HN 0.418 nan 8.270 nan 0.000 0.434 322 A N 0.409 123.119 122.820 -0.184 0.000 1.883 322 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 322 A C 2.327 179.828 177.584 -0.138 0.000 1.186 322 A CA 1.921 53.893 52.037 -0.109 0.000 0.624 322 A CB -0.675 18.301 19.000 -0.039 0.000 0.822 322 A HN 0.256 nan 8.150 nan 0.000 0.444 323 V N -0.530 119.297 119.914 -0.145 0.000 2.307 323 V HA -0.205 3.914 4.120 -0.001 0.000 0.245 323 V C 2.566 178.490 176.094 -0.283 0.000 1.045 323 V CA 1.879 64.077 62.300 -0.170 0.000 1.024 323 V CB -0.784 30.966 31.823 -0.121 0.000 0.651 323 V HN 0.367 nan 8.190 nan 0.000 0.449 324 V N -0.010 119.648 119.914 -0.427 0.000 2.343 324 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 324 V C 2.453 178.346 176.094 -0.334 0.000 1.051 324 V CA 2.320 64.344 62.300 -0.461 0.000 1.036 324 V CB -0.658 30.767 31.823 -0.662 0.000 0.654 324 V HN 0.559 nan 8.190 nan 0.000 0.451 325 S N -0.217 115.325 115.700 -0.264 0.000 2.515 325 S HA -0.080 4.390 4.470 -0.001 0.000 0.231 325 S C 1.925 176.439 174.600 -0.144 0.000 0.987 325 S CA 1.077 59.176 58.200 -0.169 0.000 0.936 325 S CB -0.083 63.045 63.200 -0.119 0.000 0.766 325 S HN 0.598 nan 8.310 nan 0.000 0.528 326 S N 1.337 116.936 115.700 -0.167 0.000 2.575 326 S HA 0.278 4.748 4.470 -0.001 0.000 0.215 326 S C 1.451 175.948 174.600 -0.171 0.000 0.966 326 S CA -0.068 58.053 58.200 -0.133 0.000 0.911 326 S CB -0.113 63.021 63.200 -0.110 0.000 0.780 326 S HN 0.392 nan 8.310 nan 0.000 0.514 327 L N 0.780 121.828 121.223 -0.292 0.000 2.131 327 L HA -0.037 4.302 4.340 -0.001 0.000 0.210 327 L C 2.027 178.754 176.870 -0.237 0.000 1.092 327 L CA 0.921 55.467 54.840 -0.489 0.000 0.759 327 L CB -0.341 41.063 42.059 -1.090 0.000 0.903 327 L HN 0.227 nan 8.230 nan 0.000 0.435 328 S N -0.916 114.738 115.700 -0.076 0.000 2.603 328 S HA -0.038 4.431 4.470 -0.001 0.000 0.220 328 S C 1.509 176.142 174.600 0.055 0.000 0.967 328 S CA 0.185 58.442 58.200 0.096 0.000 0.920 328 S CB -0.059 63.207 63.200 0.110 0.000 0.773 328 S HN 0.388 nan 8.310 nan 0.000 0.529 329 E N 0.753 120.958 120.200 0.007 0.000 2.274 329 E HA 0.017 4.367 4.350 -0.001 0.000 0.194 329 E C -0.143 176.476 176.600 0.032 0.000 0.996 329 E CA 0.404 56.810 56.400 0.011 0.000 0.840 329 E CB 0.019 29.711 29.700 -0.013 0.000 0.772 329 E HN 0.457 nan 8.360 nan 0.000 0.491 330 L N 2.294 123.549 121.223 0.054 0.000 2.360 330 L HA 0.148 4.488 4.340 -0.001 0.000 0.276 330 L C 0.380 177.317 176.870 0.112 0.000 1.121 330 L CA -0.022 54.869 54.840 0.084 0.000 0.845 330 L CB 0.345 42.477 42.059 0.121 0.000 1.143 330 L HN -0.135 nan 8.230 nan 0.000 0.452 331 K N 1.757 122.203 120.400 0.077 0.000 2.221 331 K HA 0.519 4.839 4.320 -0.001 0.000 0.243 331 K C 0.728 177.363 176.600 0.058 0.000 0.968 331 K CA -0.120 56.206 56.287 0.065 0.000 0.846 331 K CB 1.865 34.392 32.500 0.044 0.000 1.141 331 K HN 0.737 nan 8.250 nan 0.000 0.434 332 G N 1.006 109.836 108.800 0.049 0.000 2.159 332 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.256 332 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.256 332 G C 0.039 174.965 174.900 0.043 0.000 0.977 332 G CA -0.058 45.065 45.100 0.038 0.000 0.652 332 G HN 0.487 nan 8.290 nan 0.000 0.531 333 I N 1.009 121.613 120.570 0.057 0.000 2.352 333 I HA 0.471 4.640 4.170 -0.001 0.000 0.290 333 I C 0.339 176.481 176.117 0.042 0.000 1.036 333 I CA -0.015 61.321 61.300 0.060 0.000 1.336 333 I CB 1.415 39.467 38.000 0.087 0.000 1.407 333 I HN 0.198 nan 8.210 nan 0.000 0.497 334 E N 6.485 126.720 120.200 0.058 0.000 2.361 334 E HA 0.152 4.502 4.350 -0.001 0.000 0.270 334 E C -1.568 175.095 176.600 0.105 0.000 0.911 334 E CA -0.754 55.685 56.400 0.064 0.000 0.818 334 E CB 1.328 31.047 29.700 0.033 0.000 1.332 334 E HN 0.479 nan 8.360 nan 0.000 0.402 335 Y N 3.389 123.704 120.300 0.024 0.000 2.465 335 Y HA 0.101 4.650 4.550 -0.001 0.000 0.331 335 Y C 0.351 176.256 175.900 0.008 0.000 1.102 335 Y CA 0.754 58.877 58.100 0.039 0.000 1.358 335 Y CB 0.915 39.430 38.460 0.092 0.000 1.213 335 Y HN 0.603 nan 8.280 nan 0.000 0.525 336 E N 3.382 123.225 120.200 -0.596 0.000 2.583 336 E HA 0.206 4.556 4.350 -0.001 0.000 0.213 336 E C 0.711 176.908 176.600 -0.671 0.000 0.989 336 E CA -0.047 56.067 56.400 -0.477 0.000 0.991 336 E CB 0.604 30.153 29.700 -0.251 0.000 1.040 336 E HN 0.867 nan 8.360 nan 0.000 0.481 337 G N 0.385 108.372 108.800 -1.355 0.000 2.531 337 G HA2 0.227 4.186 3.960 -0.001 0.000 0.281 337 G HA3 0.227 4.186 3.960 -0.001 0.000 0.281 337 G C 0.036 174.613 174.900 -0.539 0.000 1.382 337 G CA -0.365 44.242 45.100 -0.822 0.000 1.045 337 G HN -0.127 nan 8.290 nan 0.000 0.533 338 Q N -1.509 118.191 119.800 -0.166 0.000 2.195 338 Q HA 0.456 4.796 4.340 -0.001 0.000 0.250 338 Q C -0.760 175.200 176.000 -0.066 0.000 0.988 338 Q CA -0.477 55.222 55.803 -0.174 0.000 0.911 338 Q CB 1.468 30.195 28.738 -0.018 0.000 1.258 338 Q HN 0.550 nan 8.270 nan 0.000 0.475 339 Y N -0.264 120.147 120.300 0.186 0.000 3.203 339 Y HA 0.497 5.046 4.550 -0.001 0.000 0.371 339 Y C 0.810 176.695 175.900 -0.025 0.000 1.249 339 Y CA -0.828 57.247 58.100 -0.042 0.000 1.040 339 Y CB 0.079 38.468 38.460 -0.118 0.000 1.244 339 Y HN 0.520 nan 8.280 nan 0.000 0.875 340 I N -1.385 119.232 120.570 0.078 0.000 2.846 340 I HA 0.511 4.681 4.170 -0.001 0.000 0.307 340 I C -1.366 174.781 176.117 0.051 0.000 1.053 340 I CA -1.239 60.099 61.300 0.063 0.000 1.050 340 I CB 1.959 39.966 38.000 0.012 0.000 1.239 340 I HN 0.195 nan 8.210 nan 0.000 0.439 341 D N 4.182 124.611 120.400 0.048 0.000 2.450 341 D HA 0.137 4.777 4.640 -0.001 0.000 0.247 341 D C -0.322 175.975 176.300 -0.005 0.000 1.162 341 D CA 0.344 54.361 54.000 0.029 0.000 0.879 341 D CB 0.790 41.610 40.800 0.032 0.000 1.163 341 D HN 0.366 nan 8.370 nan 0.000 0.472 342 K N 2.307 122.687 120.400 -0.035 0.000 2.258 342 K HA 0.096 4.416 4.320 -0.001 0.000 0.284 342 K C 0.305 176.867 176.600 -0.063 0.000 1.051 342 K CA -0.419 55.799 56.287 -0.115 0.000 0.923 342 K CB 1.316 33.709 32.500 -0.179 0.000 1.046 342 K HN 0.449 nan 8.250 nan 0.000 0.474 343 Q N 2.594 122.352 119.800 -0.070 0.000 2.352 343 Q HA -0.025 4.314 4.340 -0.001 0.000 0.260 343 Q C -0.970 175.042 176.000 0.020 0.000 0.976 343 Q CA -0.250 55.555 55.803 0.003 0.000 0.881 343 Q CB 0.461 29.209 28.738 0.017 0.000 1.235 343 Q HN 0.413 nan 8.270 nan 0.000 0.419 344 Y N 3.106 123.384 120.300 -0.036 0.000 2.442 344 Y HA 0.042 4.592 4.550 -0.001 0.000 0.330 344 Y C -0.730 175.168 175.900 -0.003 0.000 1.129 344 Y CA 0.173 58.258 58.100 -0.025 0.000 1.365 344 Y CB 0.642 39.096 38.460 -0.011 0.000 1.233 344 Y HN 0.570 nan 8.280 nan 0.000 0.529 345 E N 5.092 124.908 120.200 -0.639 0.000 2.081 345 E HA 0.253 4.603 4.350 -0.001 0.000 0.281 345 E C -0.981 175.234 176.600 -0.642 0.000 0.986 345 E CA -0.469 55.656 56.400 -0.458 0.000 0.796 345 E CB 1.014 30.573 29.700 -0.236 0.000 1.085 345 E HN 0.484 nan 8.360 nan 0.000 0.398 346 E N 3.242 123.239 120.200 -0.339 0.000 2.343 346 E HA 0.411 4.761 4.350 -0.001 0.000 0.278 346 E C -2.133 174.510 176.600 0.070 0.000 0.910 346 E CA -0.767 55.538 56.400 -0.158 0.000 0.757 346 E CB 1.081 30.718 29.700 -0.105 0.000 1.218 346 E HN 0.348 nan 8.360 nan 0.000 0.435 347 F N 5.390 125.314 119.950 -0.043 0.000 2.579 347 F HA 0.540 5.067 4.527 -0.001 0.000 0.325 347 F C -1.394 174.411 175.800 0.009 0.000 1.162 347 F CA -0.799 57.194 58.000 -0.012 0.000 0.946 347 F CB 0.881 39.880 39.000 -0.003 0.000 1.211 347 F HN 0.371 nan 8.300 nan 0.000 0.447 348 I N 8.020 128.265 120.570 -0.542 0.000 2.354 348 I HA 0.312 4.482 4.170 -0.001 0.000 0.286 348 I C -2.199 173.524 176.117 -0.657 0.000 1.007 348 I CA -2.163 58.904 61.300 -0.389 0.000 1.167 348 I CB 0.975 38.849 38.000 -0.211 0.000 1.320 348 I HN 0.376 nan 8.210 nan 0.000 0.458 349 P HA 0.242 nan 4.420 nan 0.000 0.274 349 P C -0.236 176.978 177.300 -0.144 0.000 1.231 349 P CA -0.073 62.875 63.100 -0.253 0.000 0.790 349 P CB 1.317 33.090 31.700 0.121 0.000 0.951 350 S N -0.644 115.004 115.700 -0.086 0.000 2.806 350 S HA 0.361 4.830 4.470 -0.001 0.000 0.315 350 S C 0.987 175.592 174.600 0.008 0.000 1.127 350 S CA -0.009 58.166 58.200 -0.041 0.000 0.918 350 S CB 0.681 63.849 63.200 -0.054 0.000 1.240 350 S HN 0.441 nan 8.310 nan 0.000 0.552 351 S N -0.210 115.494 115.700 0.008 0.000 2.603 351 S HA 0.382 4.852 4.470 -0.001 0.000 0.220 351 S C 0.846 175.459 174.600 0.021 0.000 0.967 351 S CA -0.107 58.106 58.200 0.021 0.000 0.920 351 S CB -1.095 62.114 63.200 0.015 0.000 0.773 351 S HN 1.178 nan 8.310 nan 0.000 0.529 352 A N 2.858 125.687 122.820 0.015 0.000 2.483 352 A HA 0.505 4.825 4.320 -0.001 0.000 0.238 352 A C -2.335 175.260 177.584 0.018 0.000 1.070 352 A CA -1.253 50.791 52.037 0.011 0.000 0.770 352 A CB -0.446 18.556 19.000 0.003 0.000 1.008 352 A HN 0.326 nan 8.150 nan 0.000 0.497 353 P HA 0.066 nan 4.420 nan 0.000 0.267 353 P C -0.261 177.033 177.300 -0.011 0.000 1.200 353 P CA -0.296 62.807 63.100 0.005 0.000 0.772 353 P CB 0.291 31.991 31.700 -0.000 0.000 0.855 354 L N 2.262 123.468 121.223 -0.028 0.000 2.540 354 L HA 0.064 4.403 4.340 -0.001 0.000 0.276 354 L C 0.903 177.711 176.870 -0.103 0.000 1.212 354 L CA 1.213 55.999 54.840 -0.090 0.000 0.893 354 L CB -0.489 41.486 42.059 -0.140 0.000 1.138 354 L HN 0.559 nan 8.230 nan 0.000 0.491 355 S N 3.220 118.843 115.700 -0.129 0.000 2.600 355 S HA 0.410 4.880 4.470 -0.001 0.000 0.300 355 S C 0.543 175.027 174.600 -0.193 0.000 1.087 355 S CA -0.848 57.284 58.200 -0.113 0.000 0.965 355 S CB 2.305 65.471 63.200 -0.058 0.000 1.089 355 S HN 0.537 nan 8.310 nan 0.000 0.496 356 Q N 1.003 120.723 119.800 -0.133 0.000 2.030 356 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 356 Q C 1.084 177.005 176.000 -0.132 0.000 0.986 356 Q CA 2.012 57.731 55.803 -0.139 0.000 0.843 356 Q CB -0.562 28.219 28.738 0.072 0.000 0.904 356 Q HN 0.766 nan 8.270 nan 0.000 0.420 357 D N 0.116 120.512 120.400 -0.007 0.000 2.123 357 D HA -0.144 4.495 4.640 -0.001 0.000 0.196 357 D C 1.974 178.254 176.300 -0.033 0.000 0.992 357 D CA 0.866 54.893 54.000 0.045 0.000 0.833 357 D CB -0.087 40.741 40.800 0.046 0.000 0.954 357 D HN 0.113 nan 8.370 nan 0.000 0.455 358 R N 0.299 120.754 120.500 -0.075 0.000 2.092 358 R HA -0.070 4.269 4.340 -0.001 0.000 0.231 358 R C 2.329 178.406 176.300 -0.371 0.000 1.119 358 R CA 0.182 56.258 56.100 -0.039 0.000 0.970 358 R CB -0.971 29.382 30.300 0.089 0.000 0.864 358 R HN 0.238 nan 8.270 nan 0.000 0.440 359 L N 0.080 120.929 121.223 -0.623 0.000 2.013 359 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 359 L C 1.812 178.032 176.870 -1.084 0.000 1.073 359 L CA 1.781 55.952 54.840 -1.116 0.000 0.753 359 L CB -0.689 40.534 42.059 -1.393 0.000 0.890 359 L HN 0.152 nan 8.230 nan 0.000 0.432 360 W N -0.545 120.516 121.300 -0.399 0.000 2.436 360 W HA -0.065 4.595 4.660 -0.001 0.000 0.284 360 W C 2.581 178.931 176.519 -0.282 0.000 1.225 360 W CA 0.633 57.764 57.345 -0.356 0.000 1.271 360 W CB -0.334 28.960 29.460 -0.276 0.000 1.114 360 W HN 0.217 nan 8.180 nan 0.000 0.559 361 Q N 0.603 120.343 119.800 -0.099 0.000 2.050 361 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 361 Q C 2.516 178.361 176.000 -0.258 0.000 0.980 361 Q CA 1.903 57.665 55.803 -0.067 0.000 0.840 361 Q CB -0.651 28.137 28.738 0.085 0.000 0.898 361 Q HN 0.324 nan 8.270 nan 0.000 0.424 362 A N 0.313 122.679 122.820 -0.757 0.000 1.877 362 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 362 A C 2.349 179.762 177.584 -0.285 0.000 1.186 362 A CA 1.464 52.925 52.037 -0.960 0.000 0.620 362 A CB -0.778 17.399 19.000 -1.372 0.000 0.822 362 A HN 0.221 nan 8.150 nan 0.000 0.443 363 V N 0.065 119.844 119.914 -0.225 0.000 2.343 363 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 363 V C 2.524 178.632 176.094 0.024 0.000 1.051 363 V CA 2.352 64.640 62.300 -0.019 0.000 1.036 363 V CB -0.748 31.033 31.823 -0.069 0.000 0.654 363 V HN 0.789 nan 8.190 nan 0.000 0.451 364 E N -0.116 120.086 120.200 0.003 0.000 2.058 364 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 364 E C 2.442 179.064 176.600 0.036 0.000 0.997 364 E CA 1.634 58.059 56.400 0.042 0.000 0.801 364 E CB -0.221 29.514 29.700 0.059 0.000 0.746 364 E HN 0.504 nan 8.360 nan 0.000 0.450 365 S N -0.226 115.481 115.700 0.012 0.000 2.356 365 S HA -0.063 4.406 4.470 -0.001 0.000 0.223 365 S C 1.849 176.470 174.600 0.035 0.000 1.032 365 S CA 0.972 59.185 58.200 0.023 0.000 1.005 365 S CB -0.110 63.128 63.200 0.063 0.000 0.867 365 S HN 0.311 nan 8.310 nan 0.000 0.449 366 L N 0.855 122.101 121.223 0.038 0.000 2.558 366 L HA 0.140 4.480 4.340 -0.001 0.000 0.225 366 L C 0.668 177.571 176.870 0.055 0.000 1.128 366 L CA 0.087 54.953 54.840 0.044 0.000 0.868 366 L CB -0.326 41.755 42.059 0.037 0.000 1.006 366 L HN 0.165 nan 8.230 nan 0.000 0.454 367 T N 0.854 115.451 114.554 0.072 0.000 2.919 367 T HA 0.174 4.524 4.350 -0.001 0.000 0.302 367 T C 0.172 174.907 174.700 0.059 0.000 1.031 367 T CA 0.012 62.164 62.100 0.086 0.000 1.127 367 T CB 1.020 69.955 68.868 0.112 0.000 0.952 367 T HN 0.179 nan 8.240 nan 0.000 0.540 368 Q N 0.907 120.738 119.800 0.051 0.000 2.252 368 Q HA 0.505 4.844 4.340 -0.001 0.000 0.256 368 Q C 0.079 176.098 176.000 0.031 0.000 1.020 368 Q CA -0.904 54.920 55.803 0.035 0.000 0.913 368 Q CB 1.154 29.909 28.738 0.028 0.000 1.286 368 Q HN 0.557 nan 8.270 nan 0.000 0.480 369 S N 1.566 117.280 115.700 0.023 0.000 2.576 369 S HA -0.018 4.452 4.470 -0.001 0.000 0.272 369 S C 0.415 175.024 174.600 0.015 0.000 1.352 369 S CA -0.051 58.159 58.200 0.017 0.000 1.021 369 S CB 0.059 63.268 63.200 0.015 0.000 0.887 369 S HN 0.817 nan 8.310 nan 0.000 0.542 370 N N 0.892 119.598 118.700 0.010 0.000 2.727 370 N HA -0.186 4.554 4.740 -0.001 0.000 0.249 370 N C -0.845 174.669 175.510 0.005 0.000 1.048 370 N CA 0.976 54.032 53.050 0.009 0.000 0.714 370 N CB -1.004 37.493 38.487 0.016 0.000 0.959 370 N HN 0.701 nan 8.380 nan 0.000 0.544 371 E N -0.945 119.252 120.200 -0.006 0.000 2.263 371 E HA 0.521 4.871 4.350 -0.001 0.000 0.264 371 E C -0.608 175.934 176.600 -0.095 0.000 0.923 371 E CA -0.792 55.591 56.400 -0.028 0.000 0.802 371 E CB 1.331 31.039 29.700 0.013 0.000 1.228 371 E HN 0.127 nan 8.360 nan 0.000 0.417 372 T N 1.714 116.124 114.554 -0.240 0.000 2.786 372 T HA 0.428 4.778 4.350 -0.001 0.000 0.283 372 T C -0.148 174.417 174.700 -0.226 0.000 0.992 372 T CA -0.503 61.383 62.100 -0.358 0.000 0.954 372 T CB 0.341 68.675 68.868 -0.890 0.000 0.934 372 T HN 0.252 nan 8.240 nan 0.000 0.440 373 I N 3.628 124.147 120.570 -0.086 0.000 2.331 373 I HA 0.404 4.574 4.170 -0.001 0.000 0.292 373 I C -0.387 175.568 176.117 -0.270 0.000 0.998 373 I CA -0.782 60.508 61.300 -0.017 0.000 1.267 373 I CB 1.311 39.400 38.000 0.147 0.000 1.386 373 I HN 0.255 nan 8.210 nan 0.000 0.476 374 V N 5.874 125.708 119.914 -0.134 0.000 2.448 374 V HA 0.725 4.844 4.120 -0.001 0.000 0.295 374 V C 0.001 176.047 176.094 -0.079 0.000 1.025 374 V CA -0.548 61.631 62.300 -0.201 0.000 0.859 374 V CB 1.523 33.316 31.823 -0.050 0.000 0.988 374 V HN 0.825 nan 8.190 nan 0.000 0.431 375 A N 3.219 125.933 122.820 -0.178 0.000 2.353 375 A HA 0.789 5.108 4.320 -0.001 0.000 0.299 375 A C -0.662 176.986 177.584 0.106 0.000 1.089 375 A CA -0.578 51.474 52.037 0.025 0.000 0.736 375 A CB 1.521 20.499 19.000 -0.036 0.000 1.195 375 A HN 0.781 nan 8.150 nan 0.000 0.447 376 E N 1.615 121.876 120.200 0.101 0.000 2.343 376 E HA 0.298 4.647 4.350 -0.001 0.000 0.269 376 E C -0.063 176.548 176.600 0.018 0.000 1.047 376 E CA -0.201 56.228 56.400 0.049 0.000 0.874 376 E CB 0.501 30.223 29.700 0.037 0.000 1.033 376 E HN 0.536 nan 8.360 nan 0.000 0.409 377 Q N 1.611 121.346 119.800 -0.108 0.000 2.283 377 Q HA 0.345 4.684 4.340 -0.001 0.000 0.301 377 Q C 0.425 176.410 176.000 -0.025 0.000 1.063 377 Q CA 1.302 56.999 55.803 -0.176 0.000 0.952 377 Q CB 0.313 28.893 28.738 -0.263 0.000 1.166 377 Q HN 0.800 nan 8.270 nan 0.000 0.381 378 G N 0.778 109.633 108.800 0.092 0.000 2.318 378 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.367 378 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.367 378 G C 0.617 175.687 174.900 0.284 0.000 1.260 378 G CA 0.106 45.318 45.100 0.187 0.000 1.055 378 G HN 0.546 nan 8.290 nan 0.000 0.484 379 T N -1.733 112.963 114.554 0.237 0.000 2.759 379 T HA -0.090 4.259 4.350 -0.001 0.000 0.269 379 T C 2.404 177.194 174.700 0.150 0.000 1.042 379 T CA 2.891 65.139 62.100 0.247 0.000 1.140 379 T CB -0.526 68.491 68.868 0.248 0.000 0.864 379 T HN 0.928 nan 8.240 nan 0.000 0.455 380 S N 1.108 116.898 115.700 0.150 0.000 2.353 380 S HA -0.007 4.462 4.470 -0.001 0.000 0.222 380 S C 1.443 175.836 174.600 -0.346 0.000 1.035 380 S CA 1.370 59.561 58.200 -0.014 0.000 1.025 380 S CB -0.728 62.597 63.200 0.208 0.000 0.902 380 S HN 0.576 nan 8.310 nan 0.000 0.440 381 F N 1.571 121.343 119.950 -0.296 0.000 2.102 381 F HA -0.107 4.419 4.527 -0.001 0.000 0.298 381 F C 1.713 177.205 175.800 -0.513 0.000 1.105 381 F CA 1.365 59.129 58.000 -0.394 0.000 1.239 381 F CB -0.449 38.238 39.000 -0.522 0.000 0.991 381 F HN 0.124 nan 8.300 nan 0.000 0.474 382 F N 0.455 120.296 119.950 -0.182 0.000 2.234 382 F HA 0.046 4.573 4.527 -0.001 0.000 0.299 382 F C 2.624 178.101 175.800 -0.538 0.000 1.087 382 F CA 1.176 59.000 58.000 -0.294 0.000 1.340 382 F CB -1.416 37.545 39.000 -0.066 0.000 1.031 382 F HN 0.051 nan 8.300 nan 0.000 0.500 383 G N -0.508 107.872 108.800 -0.700 0.000 2.404 383 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.214 383 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.214 383 G C 1.879 175.933 174.900 -1.410 0.000 1.189 383 G CA 0.699 44.929 45.100 -1.450 0.000 0.789 383 G HN 0.407 nan 8.290 nan 0.000 0.533 384 A N 1.196 123.117 122.820 -1.499 0.000 2.014 384 A HA 0.059 4.378 4.320 -0.001 0.000 0.218 384 A C 2.660 179.933 177.584 -0.519 0.000 1.163 384 A CA 2.163 53.693 52.037 -0.845 0.000 0.652 384 A CB -0.579 18.063 19.000 -0.596 0.000 0.808 384 A HN 0.697 nan 8.150 nan 0.000 0.449 385 S N 0.057 115.325 115.700 -0.721 0.000 2.419 385 S HA -0.147 4.323 4.470 -0.001 0.000 0.233 385 S C 1.634 175.843 174.600 -0.652 0.000 1.016 385 S CA 1.827 59.490 58.200 -0.895 0.000 0.974 385 S CB -1.126 61.393 63.200 -1.136 0.000 0.786 385 S HN 0.741 nan 8.310 nan 0.000 0.492 386 T N -0.617 113.649 114.554 -0.481 0.000 3.086 386 T HA 0.429 4.779 4.350 -0.001 0.000 0.250 386 T C 0.540 175.043 174.700 -0.329 0.000 1.074 386 T CA -0.495 61.382 62.100 -0.371 0.000 0.988 386 T CB -0.646 68.073 68.868 -0.248 0.000 0.988 386 T HN 0.379 nan 8.240 nan 0.000 0.530 387 I N 2.067 122.467 120.570 -0.282 0.000 2.618 387 I HA 0.194 4.363 4.170 -0.001 0.000 0.284 387 I C -0.168 175.848 176.117 -0.168 0.000 1.146 387 I CA -0.563 60.660 61.300 -0.128 0.000 1.425 387 I CB 0.381 38.342 38.000 -0.065 0.000 1.383 387 I HN 0.112 nan 8.210 nan 0.000 0.562 388 F N 6.606 126.550 119.950 -0.011 0.000 2.444 388 F HA 0.262 4.788 4.527 -0.001 0.000 0.360 388 F C 0.428 176.216 175.800 -0.020 0.000 1.106 388 F CA -0.192 57.818 58.000 0.017 0.000 1.170 388 F CB 0.357 39.388 39.000 0.052 0.000 1.113 388 F HN 0.201 nan 8.300 nan 0.000 0.521 389 L N 4.525 125.782 121.223 0.057 0.000 2.418 389 L HA 0.300 4.640 4.340 -0.001 0.000 0.265 389 L C 0.494 177.383 176.870 0.033 0.000 1.143 389 L CA -0.688 54.166 54.840 0.024 0.000 0.809 389 L CB 0.664 42.699 42.059 -0.039 0.000 1.124 389 L HN 0.573 nan 8.230 nan 0.000 0.456 390 K N 0.469 120.887 120.400 0.029 0.000 2.179 390 K HA 0.269 4.589 4.320 -0.001 0.000 0.238 390 K C 0.143 176.741 176.600 -0.004 0.000 1.033 390 K CA -0.611 55.688 56.287 0.020 0.000 0.926 390 K CB 0.777 33.294 32.500 0.027 0.000 1.151 390 K HN 0.716 nan 8.250 nan 0.000 0.492 391 S N 0.806 116.505 115.700 -0.002 0.000 2.558 391 S HA -0.065 4.405 4.470 -0.001 0.000 0.288 391 S C 0.569 175.164 174.600 -0.009 0.000 1.318 391 S CA -0.071 58.123 58.200 -0.010 0.000 1.056 391 S CB 0.259 63.458 63.200 -0.001 0.000 0.853 391 S HN 0.825 nan 8.310 nan 0.000 0.505 392 N N 0.764 119.454 118.700 -0.016 0.000 2.708 392 N HA -0.199 4.540 4.740 -0.001 0.000 0.251 392 N C -0.714 174.789 175.510 -0.011 0.000 1.123 392 N CA 1.180 54.224 53.050 -0.010 0.000 0.739 392 N CB -1.562 36.925 38.487 -0.000 0.000 1.113 392 N HN 0.651 nan 8.380 nan 0.000 0.561 393 S N -0.351 115.338 115.700 -0.018 0.000 2.617 393 S HA 0.648 5.118 4.470 -0.001 0.000 0.283 393 S C 0.296 174.888 174.600 -0.013 0.000 1.189 393 S CA -0.659 57.533 58.200 -0.013 0.000 1.036 393 S CB 1.880 65.080 63.200 0.001 0.000 1.014 393 S HN 0.262 nan 8.310 nan 0.000 0.522 394 R N 0.326 120.823 120.500 -0.005 0.000 2.912 394 R HA 0.619 4.959 4.340 -0.001 0.000 0.262 394 R C -1.632 174.729 176.300 0.102 0.000 1.057 394 R CA -0.714 55.405 56.100 0.031 0.000 0.981 394 R CB 1.544 31.846 30.300 0.004 0.000 1.201 394 R HN 0.573 nan 8.270 nan 0.000 0.484 395 F N 1.009 120.940 119.950 -0.032 0.000 2.578 395 F HA 0.566 5.092 4.527 -0.001 0.000 0.311 395 F C -1.267 174.564 175.800 0.052 0.000 1.094 395 F CA -0.704 57.294 58.000 -0.003 0.000 0.923 395 F CB 1.454 40.437 39.000 -0.027 0.000 1.230 395 F HN 0.255 nan 8.300 nan 0.000 0.450 396 I N 4.784 125.164 120.570 -0.316 0.000 2.439 396 I HA 0.654 4.824 4.170 -0.001 0.000 0.285 396 I C -0.205 175.797 176.117 -0.192 0.000 1.021 396 I CA -0.552 60.707 61.300 -0.069 0.000 1.091 396 I CB 1.665 39.676 38.000 0.017 0.000 1.242 396 I HN 0.736 nan 8.210 nan 0.000 0.439 397 G N 3.990 112.919 108.800 0.215 0.000 2.690 397 G HA2 0.457 4.417 3.960 -0.001 0.000 0.293 397 G HA3 0.457 4.417 3.960 -0.001 0.000 0.293 397 G C -1.433 173.555 174.900 0.147 0.000 1.399 397 G CA -0.326 44.969 45.100 0.325 0.000 0.890 397 G HN 0.500 nan 8.290 nan 0.000 0.485 398 Q N 0.952 120.657 119.800 -0.158 0.000 2.831 398 Q HA 0.270 4.610 4.340 -0.001 0.000 0.366 398 Q C -1.815 173.885 176.000 -0.501 0.000 0.899 398 Q CA -1.806 53.808 55.803 -0.315 0.000 0.987 398 Q CB 1.730 30.172 28.738 -0.494 0.000 1.382 398 Q HN 0.371 nan 8.270 nan 0.000 0.403 399 P HA -0.120 nan 4.420 nan 0.000 0.225 399 P C 1.041 177.982 177.300 -0.598 0.000 1.156 399 P CA 0.426 63.099 63.100 -0.713 0.000 0.787 399 P CB 0.429 31.806 31.700 -0.538 0.000 0.802 400 L N -1.042 119.717 121.223 -0.772 0.000 2.022 400 L HA 0.093 4.433 4.340 -0.001 0.000 0.204 400 L C 2.442 179.170 176.870 -0.235 0.000 1.076 400 L CA 1.615 56.095 54.840 -0.600 0.000 0.749 400 L CB -1.663 39.878 42.059 -0.863 0.000 0.903 400 L HN -0.053 nan 8.230 nan 0.000 0.439 401 W N 0.823 121.887 121.300 -0.394 0.000 2.407 401 W HA 0.021 4.681 4.660 -0.001 0.000 0.305 401 W C 1.182 177.534 176.519 -0.278 0.000 1.196 401 W CA 1.208 58.391 57.345 -0.270 0.000 1.311 401 W CB -0.085 29.239 29.460 -0.226 0.000 1.135 401 W HN 0.451 nan 8.180 nan 0.000 0.514 402 G N 1.736 110.335 108.800 -0.334 0.000 2.314 402 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.292 402 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.292 402 G C -0.176 174.470 174.900 -0.423 0.000 1.059 402 G CA 0.550 45.397 45.100 -0.421 0.000 0.982 402 G HN 0.260 nan 8.290 nan 0.000 0.505 403 S N 0.103 115.591 115.700 -0.355 0.000 2.399 403 S HA 0.565 5.035 4.470 -0.001 0.000 0.301 403 S C 1.096 175.596 174.600 -0.167 0.000 1.093 403 S CA -0.479 57.569 58.200 -0.253 0.000 1.077 403 S CB -0.212 62.963 63.200 -0.042 0.000 0.980 403 S HN 1.068 nan 8.310 nan 0.000 0.494 404 I N 2.607 123.083 120.570 -0.158 0.000 2.752 404 I HA 0.549 4.719 4.170 -0.001 0.000 0.287 404 I C 1.303 177.396 176.117 -0.041 0.000 1.188 404 I CA 0.561 61.796 61.300 -0.108 0.000 1.427 404 I CB 0.073 37.998 38.000 -0.125 0.000 1.365 404 I HN 0.766 nan 8.210 nan 0.000 0.585 405 G N 4.002 112.785 108.800 -0.029 0.000 2.279 405 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.223 405 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.223 405 G C 0.605 175.428 174.900 -0.127 0.000 1.015 405 G CA 0.548 45.663 45.100 0.026 0.000 0.621 405 G HN 0.990 nan 8.290 nan 0.000 0.506 406 Y N 2.849 122.782 120.300 -0.612 0.000 2.096 406 Y HA -0.263 4.287 4.550 -0.001 0.000 0.278 406 Y C 3.043 178.701 175.900 -0.403 0.000 1.192 406 Y CA 3.900 61.371 58.100 -1.047 0.000 1.143 406 Y CB -0.666 37.310 38.460 -0.807 0.000 0.963 406 Y HN 0.603 nan 8.280 nan 0.000 0.505 407 T N -1.882 112.473 114.554 -0.331 0.000 2.881 407 T HA -0.226 4.123 4.350 -0.001 0.000 0.270 407 T C 1.683 176.276 174.700 -0.179 0.000 1.068 407 T CA 1.157 63.071 62.100 -0.310 0.000 1.131 407 T CB -1.073 67.769 68.868 -0.043 0.000 0.871 407 T HN 0.420 nan 8.240 nan 0.000 0.479 408 F N 3.999 123.823 119.950 -0.210 0.000 2.039 408 F HA 0.193 4.719 4.527 -0.001 0.000 0.294 408 F C -1.111 174.608 175.800 -0.134 0.000 1.130 408 F CA 0.080 58.016 58.000 -0.107 0.000 1.189 408 F CB -1.251 37.746 39.000 -0.005 0.000 0.983 408 F HN 0.103 nan 8.300 nan 0.000 0.471 409 P HA -0.120 nan 4.420 nan 0.000 0.217 409 P C 1.567 178.598 177.300 -0.448 0.000 1.150 409 P CA 2.399 65.212 63.100 -0.479 0.000 0.832 409 P CB -0.426 31.127 31.700 -0.246 0.000 0.787 410 A N 0.271 122.783 122.820 -0.514 0.000 1.902 410 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 410 A C 2.361 179.760 177.584 -0.308 0.000 1.181 410 A CA 2.217 53.930 52.037 -0.540 0.000 0.623 410 A CB -1.634 16.652 19.000 -1.189 0.000 0.818 410 A HN 0.200 nan 8.150 nan 0.000 0.443 411 A N -0.220 122.453 122.820 -0.245 0.000 1.908 411 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 411 A C 2.173 179.652 177.584 -0.174 0.000 1.181 411 A CA 1.556 53.542 52.037 -0.084 0.000 0.627 411 A CB -0.602 18.403 19.000 0.008 0.000 0.818 411 A HN 0.492 nan 8.150 nan 0.000 0.445 412 L N -0.910 120.160 121.223 -0.256 0.000 2.056 412 L HA -0.103 4.237 4.340 -0.001 0.000 0.207 412 L C 2.871 179.608 176.870 -0.222 0.000 1.078 412 L CA 1.110 55.794 54.840 -0.261 0.000 0.749 412 L CB -1.010 40.841 42.059 -0.346 0.000 0.901 412 L HN 0.486 nan 8.230 nan 0.000 0.433 413 G N -0.926 107.714 108.800 -0.266 0.000 2.421 413 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.216 413 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.216 413 G C 1.823 176.750 174.900 0.046 0.000 1.171 413 G CA 1.066 46.074 45.100 -0.155 0.000 0.775 413 G HN 0.346 nan 8.290 nan 0.000 0.543 414 S N -0.194 115.469 115.700 -0.062 0.000 2.368 414 S HA -0.176 4.293 4.470 -0.001 0.000 0.225 414 S C 2.401 176.827 174.600 -0.291 0.000 1.030 414 S CA 2.025 60.204 58.200 -0.036 0.000 0.999 414 S CB -0.306 62.993 63.200 0.166 0.000 0.844 414 S HN 0.396 nan 8.310 nan 0.000 0.459 415 Q N 1.005 120.385 119.800 -0.700 0.000 2.124 415 Q HA 0.019 4.359 4.340 -0.001 0.000 0.202 415 Q C 1.823 177.687 176.000 -0.226 0.000 0.977 415 Q CA 1.832 57.181 55.803 -0.757 0.000 0.850 415 Q CB -0.523 27.864 28.738 -0.585 0.000 0.901 415 Q HN 0.712 nan 8.270 nan 0.000 0.429 416 I N -0.030 120.499 120.570 -0.069 0.000 2.252 416 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 416 I C 2.186 178.358 176.117 0.093 0.000 1.102 416 I CA 0.943 62.297 61.300 0.091 0.000 1.385 416 I CB -0.487 37.676 38.000 0.272 0.000 1.064 416 I HN 0.290 nan 8.210 nan 0.000 0.414 417 A N -0.557 122.259 122.820 -0.007 0.000 1.902 417 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 417 A C 1.167 178.668 177.584 -0.138 0.000 1.181 417 A CA 1.748 53.603 52.037 -0.304 0.000 0.623 417 A CB -0.215 18.436 19.000 -0.580 0.000 0.818 417 A HN 0.397 nan 8.150 nan 0.000 0.443 418 D N -1.361 119.010 120.400 -0.049 0.000 2.375 418 D HA 0.206 4.846 4.640 -0.001 0.000 0.259 418 D C 0.765 177.091 176.300 0.045 0.000 1.235 418 D CA -0.340 53.669 54.000 0.015 0.000 0.924 418 D CB 0.637 41.472 40.800 0.058 0.000 1.143 418 D HN 0.423 nan 8.370 nan 0.000 0.529 419 K N 1.571 121.987 120.400 0.026 0.000 2.504 419 K HA 0.005 4.325 4.320 -0.001 0.000 0.195 419 K C 0.484 177.114 176.600 0.050 0.000 1.036 419 K CA 0.717 57.022 56.287 0.031 0.000 0.984 419 K CB 0.391 32.906 32.500 0.025 0.000 0.788 419 K HN 0.073 nan 8.250 nan 0.000 0.488 420 E N 1.006 121.237 120.200 0.053 0.000 2.478 420 E HA 0.005 4.354 4.350 -0.001 0.000 0.194 420 E C -0.053 176.587 176.600 0.066 0.000 1.045 420 E CA 0.242 56.672 56.400 0.051 0.000 0.868 420 E CB 0.603 30.326 29.700 0.038 0.000 0.885 420 E HN 0.188 nan 8.360 nan 0.000 0.505 421 S N 1.174 116.935 115.700 0.103 0.000 2.448 421 S HA 0.347 4.817 4.470 -0.001 0.000 0.320 421 S C -0.162 174.555 174.600 0.194 0.000 1.071 421 S CA -0.757 57.508 58.200 0.108 0.000 1.113 421 S CB 0.539 63.792 63.200 0.089 0.000 0.972 421 S HN -0.062 nan 8.310 nan 0.000 0.465 422 R N 3.565 124.137 120.500 0.119 0.000 2.421 422 R HA 0.199 4.538 4.340 -0.001 0.000 0.305 422 R C -0.898 175.484 176.300 0.137 0.000 1.039 422 R CA 0.161 56.346 56.100 0.141 0.000 1.003 422 R CB -0.113 30.231 30.300 0.072 0.000 0.959 422 R HN 0.658 nan 8.270 nan 0.000 0.427 423 H N 3.886 122.969 119.070 0.021 0.000 2.527 423 H HA 0.294 4.849 4.556 -0.001 0.000 0.321 423 H C -0.740 174.596 175.328 0.012 0.000 1.087 423 H CA -0.281 55.778 56.048 0.018 0.000 1.337 423 H CB 0.855 30.620 29.762 0.005 0.000 1.440 423 H HN 0.303 nan 8.280 nan 0.000 0.490 424 L N 4.181 125.452 121.223 0.081 0.000 2.298 424 L HA 0.252 4.591 4.340 -0.001 0.000 0.284 424 L C -0.859 175.991 176.870 -0.034 0.000 1.013 424 L CA -0.417 54.445 54.840 0.037 0.000 0.824 424 L CB 1.143 43.299 42.059 0.161 0.000 1.221 424 L HN 0.426 nan 8.230 nan 0.000 0.418 425 L N 4.218 125.355 121.223 -0.143 0.000 2.295 425 L HA 0.631 4.971 4.340 -0.001 0.000 0.285 425 L C -1.289 175.392 176.870 -0.314 0.000 1.035 425 L CA 0.197 54.968 54.840 -0.114 0.000 0.806 425 L CB 0.708 42.755 42.059 -0.020 0.000 1.214 425 L HN 0.283 nan 8.230 nan 0.000 0.426 426 F N 6.712 126.756 119.950 0.158 0.000 2.403 426 F HA 0.562 5.088 4.527 -0.001 0.000 0.355 426 F C -0.081 175.770 175.800 0.084 0.000 1.119 426 F CA -0.389 57.724 58.000 0.187 0.000 1.007 426 F CB 1.329 40.504 39.000 0.292 0.000 1.194 426 F HN 0.349 nan 8.300 nan 0.000 0.443 427 I N 1.885 122.532 120.570 0.128 0.000 2.582 427 I HA 0.730 4.899 4.170 -0.001 0.000 0.292 427 I C 0.110 176.208 176.117 -0.030 0.000 1.066 427 I CA -0.532 60.784 61.300 0.027 0.000 1.053 427 I CB 1.665 39.632 38.000 -0.055 0.000 1.241 427 I HN 0.610 nan 8.210 nan 0.000 0.421 428 G N 3.852 112.641 108.800 -0.020 0.000 2.539 428 G HA2 0.108 4.067 3.960 -0.001 0.000 0.258 428 G HA3 0.108 4.067 3.960 -0.001 0.000 0.258 428 G C 0.626 175.412 174.900 -0.190 0.000 1.202 428 G CA 0.154 45.217 45.100 -0.062 0.000 0.851 428 G HN 0.813 nan 8.290 nan 0.000 0.556 429 D N 0.801 121.021 120.400 -0.299 0.000 2.116 429 D HA -0.153 4.487 4.640 -0.001 0.000 0.193 429 D C 2.217 178.341 176.300 -0.295 0.000 0.998 429 D CA 1.675 55.368 54.000 -0.511 0.000 0.836 429 D CB -1.021 39.433 40.800 -0.578 0.000 0.951 429 D HN 0.487 nan 8.370 nan 0.000 0.449 430 G N -0.179 108.562 108.800 -0.099 0.000 2.408 430 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 430 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 430 G C 1.833 176.791 174.900 0.096 0.000 1.150 430 G CA 1.022 46.180 45.100 0.096 0.000 0.776 430 G HN 0.383 nan 8.290 nan 0.000 0.542 431 S N 0.152 115.867 115.700 0.025 0.000 2.377 431 S HA -0.031 4.439 4.470 -0.001 0.000 0.223 431 S C 2.116 176.719 174.600 0.005 0.000 1.030 431 S CA 0.746 58.951 58.200 0.008 0.000 0.970 431 S CB -0.219 62.974 63.200 -0.012 0.000 0.830 431 S HN 0.248 nan 8.310 nan 0.000 0.473 432 L N 2.324 123.508 121.223 -0.065 0.000 2.079 432 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 432 L C 2.118 179.019 176.870 0.052 0.000 1.081 432 L CA 1.765 56.574 54.840 -0.052 0.000 0.752 432 L CB -0.666 41.295 42.059 -0.163 0.000 0.896 432 L HN 0.286 nan 8.230 nan 0.000 0.433 433 Q N -1.043 118.720 119.800 -0.062 0.000 2.291 433 Q HA -0.176 4.164 4.340 -0.001 0.000 0.206 433 Q C 2.082 178.218 176.000 0.226 0.000 0.976 433 Q CA 1.321 57.109 55.803 -0.026 0.000 0.875 433 Q CB -0.162 28.374 28.738 -0.336 0.000 0.927 433 Q HN 0.478 nan 8.270 nan 0.000 0.450 434 L N -0.385 120.943 121.223 0.175 0.000 2.240 434 L HA -0.073 4.267 4.340 -0.001 0.000 0.211 434 L C 1.896 178.919 176.870 0.256 0.000 1.106 434 L CA 1.560 56.523 54.840 0.206 0.000 0.793 434 L CB 0.076 42.239 42.059 0.173 0.000 0.927 434 L HN 0.242 nan 8.230 nan 0.000 0.446 435 T N -6.675 108.054 114.554 0.293 0.000 3.332 435 T HA 0.109 4.458 4.350 -0.001 0.000 0.304 435 T C 1.236 176.209 174.700 0.455 0.000 0.971 435 T CA 0.206 62.513 62.100 0.346 0.000 0.954 435 T CB -0.237 68.853 68.868 0.370 0.000 1.175 435 T HN -0.120 nan 8.240 nan 0.000 0.519 436 V N 2.706 122.862 119.914 0.403 0.000 2.546 436 V HA -0.236 3.884 4.120 -0.001 0.000 0.254 436 V C 2.694 178.994 176.094 0.343 0.000 1.076 436 V CA 2.586 65.095 62.300 0.348 0.000 1.087 436 V CB -0.438 31.618 31.823 0.389 0.000 0.674 436 V HN 0.747 nan 8.190 nan 0.000 0.470 437 Q N -0.899 119.119 119.800 0.363 0.000 2.437 437 Q HA -0.182 4.158 4.340 -0.001 0.000 0.210 437 Q C 1.436 177.609 176.000 0.289 0.000 0.972 437 Q CA 1.270 57.303 55.803 0.384 0.000 0.903 437 Q CB -0.536 28.372 28.738 0.282 0.000 0.967 437 Q HN 0.592 nan 8.270 nan 0.000 0.486 438 E N 0.873 121.216 120.200 0.238 0.000 2.511 438 E HA -0.024 4.326 4.350 -0.001 0.000 0.196 438 E C 1.732 178.366 176.600 0.056 0.000 1.066 438 E CA -0.044 56.373 56.400 0.029 0.000 0.871 438 E CB -0.204 29.341 29.700 -0.259 0.000 0.863 438 E HN 0.211 nan 8.360 nan 0.000 0.520 439 L N 1.009 122.395 121.223 0.273 0.000 2.043 439 L HA -0.132 4.207 4.340 -0.001 0.000 0.212 439 L C 2.053 178.963 176.870 0.066 0.000 1.075 439 L CA 2.150 57.050 54.840 0.099 0.000 0.752 439 L CB -1.140 40.681 42.059 -0.396 0.000 0.891 439 L HN 0.185 nan 8.230 nan 0.000 0.432 440 G N -0.704 108.205 108.800 0.180 0.000 2.459 440 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.217 440 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.217 440 G C 1.723 176.651 174.900 0.047 0.000 1.183 440 G CA 1.000 46.181 45.100 0.136 0.000 0.776 440 G HN 0.476 nan 8.290 nan 0.000 0.552 441 L N 1.373 122.607 121.223 0.019 0.000 2.042 441 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 441 L C 3.210 180.062 176.870 -0.031 0.000 1.076 441 L CA 2.468 57.294 54.840 -0.023 0.000 0.749 441 L CB -0.378 41.643 42.059 -0.063 0.000 0.893 441 L HN 0.410 nan 8.230 nan 0.000 0.432 442 S N -0.266 115.411 115.700 -0.038 0.000 2.399 442 S HA -0.207 4.262 4.470 -0.001 0.000 0.231 442 S C 1.861 176.453 174.600 -0.014 0.000 1.022 442 S CA 1.535 59.718 58.200 -0.028 0.000 0.983 442 S CB -0.870 62.335 63.200 0.009 0.000 0.803 442 S HN 0.553 nan 8.310 nan 0.000 0.480 443 I N 1.396 121.957 120.570 -0.015 0.000 2.233 443 I HA -0.050 4.119 4.170 -0.001 0.000 0.243 443 I C 3.056 179.166 176.117 -0.011 0.000 1.093 443 I CA 1.240 62.529 61.300 -0.019 0.000 1.380 443 I CB -0.345 37.644 38.000 -0.019 0.000 1.067 443 I HN 0.274 nan 8.210 nan 0.000 0.413 444 R N 1.089 121.586 120.500 -0.006 0.000 2.083 444 R HA -0.185 4.154 4.340 -0.001 0.000 0.237 444 R C 1.805 178.102 176.300 -0.006 0.000 1.137 444 R CA 1.545 57.643 56.100 -0.004 0.000 0.951 444 R CB -0.037 30.262 30.300 -0.001 0.000 0.851 444 R HN 0.271 nan 8.270 nan 0.000 0.434 445 E N 0.755 120.949 120.200 -0.010 0.000 2.482 445 E HA -0.053 4.296 4.350 -0.001 0.000 0.196 445 E C -0.058 176.541 176.600 -0.002 0.000 1.047 445 E CA 0.309 56.705 56.400 -0.007 0.000 0.869 445 E CB 0.160 29.855 29.700 -0.008 0.000 0.836 445 E HN 0.291 nan 8.360 nan 0.000 0.520 446 K N 0.606 121.004 120.400 -0.003 0.000 3.096 446 K HA -0.178 4.142 4.320 -0.001 0.000 0.266 446 K C -0.265 176.339 176.600 0.007 0.000 1.043 446 K CA 0.186 56.473 56.287 0.000 0.000 0.758 446 K CB -1.927 30.574 32.500 0.002 0.000 1.260 446 K HN 0.167 nan 8.250 nan 0.000 0.481 447 L N 0.600 121.826 121.223 0.005 0.000 2.417 447 L HA 0.146 4.486 4.340 -0.001 0.000 0.268 447 L C 1.075 177.963 176.870 0.029 0.000 1.158 447 L CA -0.382 54.462 54.840 0.008 0.000 0.819 447 L CB 0.440 42.493 42.059 -0.009 0.000 1.112 447 L HN 0.147 nan 8.230 nan 0.000 0.458 448 N N 1.915 120.640 118.700 0.040 0.000 2.535 448 N HA 0.222 4.961 4.740 -0.001 0.000 0.294 448 N C -2.445 173.120 175.510 0.091 0.000 1.408 448 N CA -0.982 52.112 53.050 0.073 0.000 0.927 448 N CB 0.336 38.867 38.487 0.074 0.000 1.276 448 N HN 0.394 nan 8.380 nan 0.000 0.505 449 P HA 0.228 nan 4.420 nan 0.000 0.274 449 P C -0.068 177.281 177.300 0.080 0.000 1.256 449 P CA -0.247 62.909 63.100 0.092 0.000 0.795 449 P CB 1.524 33.280 31.700 0.094 0.000 1.038 450 I N 0.716 121.289 120.570 0.005 0.000 2.328 450 I HA 0.233 4.403 4.170 -0.001 0.000 0.287 450 I C -0.146 175.777 176.117 -0.325 0.000 1.012 450 I CA -0.565 60.646 61.300 -0.149 0.000 1.195 450 I CB 0.699 38.577 38.000 -0.203 0.000 1.350 450 I HN 0.144 nan 8.210 nan 0.000 0.464 451 C N 6.471 125.538 119.300 -0.389 0.000 2.303 451 C HA 0.534 4.993 4.460 -0.001 0.000 0.326 451 C C -0.233 174.291 174.990 -0.777 0.000 1.285 451 C CA -0.648 58.095 59.018 -0.458 0.000 1.675 451 C CB -0.178 27.387 27.740 -0.292 0.000 2.289 451 C HN 0.462 nan 8.230 nan 0.000 0.512 452 F N 3.610 123.276 119.950 -0.473 0.000 2.402 452 F HA 0.562 5.089 4.527 -0.001 0.000 0.355 452 F C 0.104 175.691 175.800 -0.356 0.000 1.123 452 F CA -0.682 57.099 58.000 -0.367 0.000 1.021 452 F CB 0.719 39.555 39.000 -0.272 0.000 1.160 452 F HN 0.304 nan 8.300 nan 0.000 0.451 453 I N 4.845 125.251 120.570 -0.272 0.000 2.312 453 I HA 0.259 4.428 4.170 -0.001 0.000 0.290 453 I C -0.069 175.936 176.117 -0.186 0.000 1.008 453 I CA -0.302 60.793 61.300 -0.342 0.000 1.226 453 I CB 0.898 38.561 38.000 -0.562 0.000 1.371 453 I HN 0.416 nan 8.210 nan 0.000 0.468 454 I N 5.967 126.462 120.570 -0.125 0.000 2.278 454 I HA 0.114 4.284 4.170 -0.001 0.000 0.296 454 I C 0.371 176.396 176.117 -0.154 0.000 1.121 454 I CA -0.247 61.009 61.300 -0.072 0.000 1.267 454 I CB -0.052 37.964 38.000 0.026 0.000 1.447 454 I HN 0.526 nan 8.210 nan 0.000 0.509 455 N N 6.405 125.017 118.700 -0.147 0.000 2.482 455 N HA 0.046 4.786 4.740 -0.001 0.000 0.242 455 N C 0.023 175.507 175.510 -0.043 0.000 1.100 455 N CA -0.279 52.694 53.050 -0.128 0.000 0.946 455 N CB 0.259 38.740 38.487 -0.011 0.000 1.227 455 N HN 0.510 nan 8.380 nan 0.000 0.508 456 N N 1.827 120.500 118.700 -0.046 0.000 2.338 456 N HA 0.113 4.853 4.740 -0.001 0.000 0.251 456 N C -0.578 174.920 175.510 -0.020 0.000 1.199 456 N CA -0.463 52.576 53.050 -0.019 0.000 0.879 456 N CB 0.052 38.536 38.487 -0.005 0.000 1.159 456 N HN 0.330 nan 8.380 nan 0.000 0.514 457 D N -0.707 119.681 120.400 -0.020 0.000 2.699 457 D HA -0.067 4.573 4.640 -0.001 0.000 0.239 457 D C 0.547 176.801 176.300 -0.077 0.000 1.136 457 D CA 1.862 55.845 54.000 -0.028 0.000 0.668 457 D CB -1.210 39.581 40.800 -0.015 0.000 1.060 457 D HN 0.892 nan 8.370 nan 0.000 0.429 458 G N -0.556 108.173 108.800 -0.118 0.000 2.306 458 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.262 458 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.262 458 G C -1.175 173.674 174.900 -0.086 0.000 1.263 458 G CA -0.405 44.562 45.100 -0.223 0.000 1.088 458 G HN 0.229 nan 8.290 nan 0.000 0.489 459 Y N 1.951 122.245 120.300 -0.011 0.000 2.802 459 Y HA 0.507 5.057 4.550 -0.001 0.000 0.330 459 Y C 2.061 177.969 175.900 0.012 0.000 1.193 459 Y CA 0.011 58.111 58.100 0.000 0.000 1.427 459 Y CB 0.378 38.849 38.460 0.018 0.000 1.357 459 Y HN 0.488 nan 8.280 nan 0.000 0.501 460 T N 0.276 114.920 114.554 0.150 0.000 2.777 460 T HA -0.176 4.174 4.350 -0.001 0.000 0.266 460 T C 2.189 176.949 174.700 0.100 0.000 1.040 460 T CA 1.553 63.712 62.100 0.098 0.000 1.141 460 T CB -0.159 68.754 68.868 0.076 0.000 0.868 460 T HN 0.522 nan 8.240 nan 0.000 0.444 461 V N 1.822 121.804 119.914 0.113 0.000 2.332 461 V HA -0.179 3.940 4.120 -0.001 0.000 0.248 461 V C 2.377 178.512 176.094 0.067 0.000 1.055 461 V CA 1.873 64.230 62.300 0.095 0.000 1.038 461 V CB -0.393 31.503 31.823 0.121 0.000 0.651 461 V HN 0.410 nan 8.190 nan 0.000 0.450 462 E N 0.181 120.430 120.200 0.080 0.000 2.072 462 E HA -0.197 4.153 4.350 -0.001 0.000 0.191 462 E C 2.338 179.015 176.600 0.128 0.000 0.985 462 E CA 1.350 57.806 56.400 0.094 0.000 0.801 462 E CB -0.404 29.380 29.700 0.140 0.000 0.750 462 E HN 0.650 nan 8.360 nan 0.000 0.452 463 R N 0.797 121.366 120.500 0.114 0.000 2.105 463 R HA -0.112 4.228 4.340 -0.001 0.000 0.239 463 R C 2.126 178.454 176.300 0.047 0.000 1.135 463 R CA 0.969 57.108 56.100 0.065 0.000 0.967 463 R CB -0.085 30.238 30.300 0.037 0.000 0.861 463 R HN 0.146 nan 8.270 nan 0.000 0.442 464 E N 0.522 120.753 120.200 0.052 0.000 2.150 464 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 464 E C 2.015 178.648 176.600 0.056 0.000 0.985 464 E CA 0.944 57.366 56.400 0.037 0.000 0.814 464 E CB 0.032 29.748 29.700 0.027 0.000 0.752 464 E HN 0.428 nan 8.360 nan 0.000 0.466 465 I N -1.052 119.571 120.570 0.088 0.000 2.296 465 I HA -0.097 4.072 4.170 -0.001 0.000 0.242 465 I C 0.782 177.009 176.117 0.184 0.000 1.087 465 I CA 0.725 62.099 61.300 0.125 0.000 1.393 465 I CB 0.162 38.222 38.000 0.100 0.000 1.093 465 I HN 0.012 nan 8.210 nan 0.000 0.421 466 H N -0.782 118.326 119.070 0.065 0.000 3.129 466 H HA 0.426 4.981 4.556 -0.001 0.000 0.342 466 H C -0.110 175.291 175.328 0.122 0.000 1.092 466 H CA -0.169 55.930 56.048 0.084 0.000 1.310 466 H CB 1.402 31.217 29.762 0.088 0.000 1.932 466 H HN 0.215 nan 8.280 nan 0.000 0.507 467 G N 5.329 113.935 108.800 -0.322 0.000 2.326 467 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.286 467 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.286 467 G C -1.678 173.136 174.900 -0.143 0.000 1.096 467 G CA -0.043 44.936 45.100 -0.201 0.000 1.003 467 G HN 0.580 nan 8.290 nan 0.000 0.503 468 P HA -0.122 nan 4.420 nan 0.000 0.219 468 P C 1.516 178.757 177.300 -0.098 0.000 1.146 468 P CA 2.214 65.269 63.100 -0.074 0.000 0.808 468 P CB -0.044 31.621 31.700 -0.058 0.000 0.779 469 T N -5.076 109.401 114.554 -0.128 0.000 3.182 469 T HA 0.183 4.532 4.350 -0.001 0.000 0.277 469 T C 0.653 175.242 174.700 -0.186 0.000 1.013 469 T CA -0.458 61.565 62.100 -0.129 0.000 0.900 469 T CB -0.234 68.579 68.868 -0.091 0.000 1.098 469 T HN -0.106 nan 8.240 nan 0.000 0.543 470 Q N 1.952 121.568 119.800 -0.307 0.000 2.327 470 Q HA 0.268 4.608 4.340 -0.001 0.000 0.254 470 Q C 1.456 177.159 176.000 -0.495 0.000 0.952 470 Q CA 0.204 55.715 55.803 -0.486 0.000 0.884 470 Q CB 1.793 29.968 28.738 -0.939 0.000 1.224 470 Q HN 0.553 nan 8.270 nan 0.000 0.422 471 S N 1.796 117.305 115.700 -0.320 0.000 2.442 471 S HA -0.201 4.269 4.470 -0.001 0.000 0.236 471 S C 1.551 176.090 174.600 -0.101 0.000 1.007 471 S CA 1.394 59.498 58.200 -0.161 0.000 0.965 471 S CB -0.522 62.642 63.200 -0.060 0.000 0.773 471 S HN 0.696 nan 8.310 nan 0.000 0.504 472 Y N 1.304 121.623 120.300 0.032 0.000 2.571 472 Y HA 0.352 4.901 4.550 -0.001 0.000 0.294 472 Y C 1.534 177.487 175.900 0.088 0.000 1.141 472 Y CA 0.091 58.227 58.100 0.060 0.000 1.308 472 Y CB -1.070 37.438 38.460 0.080 0.000 1.002 472 Y HN 0.153 nan 8.280 nan 0.000 0.551 473 N N 0.237 118.955 118.700 0.030 0.000 2.353 473 N HA -0.029 4.710 4.740 -0.001 0.000 0.185 473 N C -0.628 174.785 175.510 -0.163 0.000 1.098 473 N CA 0.366 53.472 53.050 0.093 0.000 0.872 473 N CB -0.056 38.469 38.487 0.063 0.000 0.970 473 N HN 0.416 nan 8.380 nan 0.000 0.467 474 D N 0.920 121.221 120.400 -0.165 0.000 2.264 474 D HA 0.245 4.885 4.640 -0.001 0.000 0.249 474 D C 0.733 176.871 176.300 -0.270 0.000 1.070 474 D CA -0.141 53.742 54.000 -0.196 0.000 0.912 474 D CB 1.821 42.553 40.800 -0.113 0.000 1.193 474 D HN 0.150 nan 8.370 nan 0.000 0.427 475 I N -2.284 118.118 120.570 -0.279 0.000 2.934 475 I HA 0.546 4.715 4.170 -0.001 0.000 0.306 475 I C -2.721 173.324 176.117 -0.120 0.000 1.110 475 I CA -2.583 58.572 61.300 -0.242 0.000 1.019 475 I CB 1.833 39.609 38.000 -0.374 0.000 1.227 475 I HN -0.055 nan 8.210 nan 0.000 0.434 476 P HA 0.198 nan 4.420 nan 0.000 0.267 476 P C -0.698 176.602 177.300 -0.001 0.000 1.205 476 P CA -0.023 63.099 63.100 0.036 0.000 0.765 476 P CB 0.480 32.280 31.700 0.168 0.000 0.828 477 M N 4.274 123.898 119.600 0.040 0.000 2.105 477 M HA 0.209 4.688 4.480 -0.001 0.000 0.350 477 M C -0.759 175.577 176.300 0.061 0.000 1.308 477 M CA -0.352 54.960 55.300 0.020 0.000 1.108 477 M CB 0.217 32.843 32.600 0.042 0.000 1.622 477 M HN 0.256 nan 8.290 nan 0.000 0.468 478 W N 2.945 123.981 121.300 -0.440 0.000 2.183 478 W HA 0.253 4.912 4.660 -0.001 0.000 0.348 478 W C 0.237 176.307 176.519 -0.749 0.000 1.257 478 W CA -0.825 56.157 57.345 -0.605 0.000 1.324 478 W CB -0.071 28.980 29.460 -0.681 0.000 1.144 478 W HN 0.515 nan 8.180 nan 0.000 0.622 479 N N 2.216 120.817 118.700 -0.164 0.000 2.807 479 N HA -0.000 4.739 4.740 -0.001 0.000 0.259 479 N C 0.659 176.161 175.510 -0.013 0.000 1.149 479 N CA -0.059 52.938 53.050 -0.089 0.000 1.042 479 N CB -0.240 38.239 38.487 -0.013 0.000 1.367 479 N HN 0.297 nan 8.380 nan 0.000 0.516 480 Y N 0.934 121.380 120.300 0.243 0.000 2.207 480 Y HA -0.253 4.296 4.550 -0.001 0.000 0.287 480 Y C 2.639 178.766 175.900 0.378 0.000 1.156 480 Y CA 1.287 59.569 58.100 0.304 0.000 1.182 480 Y CB -0.448 38.116 38.460 0.173 0.000 0.979 480 Y HN 0.435 nan 8.280 nan 0.000 0.521 481 S N -0.489 115.440 115.700 0.381 0.000 2.447 481 S HA -0.110 4.360 4.470 -0.001 0.000 0.233 481 S C 1.552 176.299 174.600 0.245 0.000 1.006 481 S CA 0.820 59.233 58.200 0.355 0.000 0.957 481 S CB -0.149 63.178 63.200 0.213 0.000 0.773 481 S HN 0.231 nan 8.310 nan 0.000 0.507 482 K N 1.035 121.528 120.400 0.156 0.000 2.404 482 K HA 0.378 4.698 4.320 -0.001 0.000 0.194 482 K C 1.621 178.229 176.600 0.013 0.000 1.023 482 K CA -0.023 56.301 56.287 0.062 0.000 1.094 482 K CB -0.518 32.007 32.500 0.041 0.000 0.841 482 K HN 0.408 nan 8.250 nan 0.000 0.523 483 L N 1.209 122.431 121.223 -0.001 0.000 1.989 483 L HA -0.171 4.169 4.340 -0.001 0.000 0.211 483 L C -0.688 176.005 176.870 -0.296 0.000 1.071 483 L CA 1.733 56.478 54.840 -0.158 0.000 0.749 483 L CB -1.504 40.403 42.059 -0.253 0.000 0.890 483 L HN 0.066 nan 8.230 nan 0.000 0.431 484 P HA -0.227 nan 4.420 nan 0.000 0.216 484 P C 1.380 178.595 177.300 -0.143 0.000 1.153 484 P CA 1.440 64.282 63.100 -0.429 0.000 0.858 484 P CB 0.024 31.424 31.700 -0.499 0.000 0.789 485 E N -0.868 119.274 120.200 -0.096 0.000 2.058 485 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 485 E C 1.553 178.153 176.600 0.000 0.000 0.997 485 E CA 1.790 58.166 56.400 -0.040 0.000 0.801 485 E CB -0.493 29.188 29.700 -0.031 0.000 0.746 485 E HN 0.112 nan 8.360 nan 0.000 0.450 486 T N 0.039 114.621 114.554 0.046 0.000 2.867 486 T HA -0.105 4.244 4.350 -0.001 0.000 0.268 486 T C 0.886 175.616 174.700 0.050 0.000 1.057 486 T CA 0.853 62.987 62.100 0.056 0.000 1.136 486 T CB -0.205 68.718 68.868 0.090 0.000 0.874 486 T HN 0.142 nan 8.240 nan 0.000 0.466 487 F N 0.648 120.518 119.950 -0.134 0.000 2.732 487 F HA 0.409 4.935 4.527 -0.001 0.000 0.303 487 F C 1.836 177.574 175.800 -0.103 0.000 1.110 487 F CA -0.326 57.603 58.000 -0.119 0.000 1.355 487 F CB -0.232 38.683 39.000 -0.141 0.000 1.081 487 F HN 0.276 nan 8.300 nan 0.000 0.565 488 G N -0.299 108.520 108.800 0.033 0.000 2.179 488 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.220 488 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.220 488 G C 0.374 175.262 174.900 -0.020 0.000 0.990 488 G CA -0.276 44.818 45.100 -0.010 0.000 0.646 488 G HN 0.580 nan 8.290 nan 0.000 0.517 489 A N 0.603 123.404 122.820 -0.032 0.000 2.407 489 A HA 0.752 5.072 4.320 -0.001 0.000 0.248 489 A C 0.907 178.459 177.584 -0.053 0.000 1.082 489 A CA 1.156 53.159 52.037 -0.056 0.000 0.785 489 A CB 0.328 19.268 19.000 -0.100 0.000 1.020 489 A HN 1.669 nan 8.150 nan 0.000 0.489 490 T N -0.673 113.851 114.554 -0.051 0.000 2.948 490 T HA 0.438 4.788 4.350 -0.001 0.000 0.285 490 T C 0.591 175.255 174.700 -0.059 0.000 1.019 490 T CA -0.402 61.670 62.100 -0.047 0.000 1.013 490 T CB 1.137 69.984 68.868 -0.035 0.000 1.117 490 T HN 0.629 nan 8.240 nan 0.000 0.533 491 E N 0.503 120.671 120.200 -0.054 0.000 2.265 491 E HA -0.134 4.216 4.350 -0.001 0.000 0.196 491 E C 1.396 177.955 176.600 -0.069 0.000 0.996 491 E CA 1.128 57.489 56.400 -0.065 0.000 0.832 491 E CB -0.010 29.662 29.700 -0.047 0.000 0.756 491 E HN 0.770 nan 8.360 nan 0.000 0.491 492 D N 0.146 120.517 120.400 -0.050 0.000 2.349 492 D HA -0.102 4.538 4.640 -0.001 0.000 0.224 492 D C 1.744 178.017 176.300 -0.045 0.000 1.029 492 D CA 0.406 54.382 54.000 -0.040 0.000 0.879 492 D CB 0.228 41.013 40.800 -0.024 0.000 0.906 492 D HN 0.025 nan 8.370 nan 0.000 0.528 493 R N 0.229 120.692 120.500 -0.061 0.000 2.144 493 R HA 0.217 4.556 4.340 -0.001 0.000 0.195 493 R C -0.167 176.078 176.300 -0.092 0.000 1.077 493 R CA 0.542 56.607 56.100 -0.058 0.000 1.120 493 R CB 0.436 30.706 30.300 -0.048 0.000 1.060 493 R HN -0.049 nan 8.270 nan 0.000 0.520 494 V N 1.957 121.798 119.914 -0.123 0.000 2.540 494 V HA 0.463 4.582 4.120 -0.001 0.000 0.302 494 V C -0.834 175.122 176.094 -0.231 0.000 1.035 494 V CA -1.053 61.145 62.300 -0.170 0.000 0.873 494 V CB 1.889 33.624 31.823 -0.146 0.000 0.992 494 V HN -0.052 nan 8.190 nan 0.000 0.428 495 V N 3.732 123.393 119.914 -0.421 0.000 2.350 495 V HA 0.450 4.570 4.120 -0.001 0.000 0.276 495 V C 0.280 176.233 176.094 -0.236 0.000 1.028 495 V CA -0.062 61.977 62.300 -0.435 0.000 0.860 495 V CB 1.503 32.813 31.823 -0.855 0.000 0.990 495 V HN 0.933 nan 8.190 nan 0.000 0.453 496 S N 5.470 121.130 115.700 -0.067 0.000 2.509 496 S HA 0.731 5.200 4.470 -0.001 0.000 0.297 496 S C -0.483 174.160 174.600 0.072 0.000 1.118 496 S CA -0.949 57.293 58.200 0.071 0.000 1.074 496 S CB 1.450 64.715 63.200 0.108 0.000 1.038 496 S HN 0.621 nan 8.310 nan 0.000 0.498 497 K N 1.682 122.144 120.400 0.102 0.000 2.508 497 K HA 0.545 4.865 4.320 -0.001 0.000 0.260 497 K C -1.237 175.420 176.600 0.095 0.000 0.949 497 K CA -0.438 55.903 56.287 0.089 0.000 0.834 497 K CB 2.112 34.666 32.500 0.090 0.000 1.365 497 K HN 0.529 nan 8.250 nan 0.000 0.437 498 I N 1.667 122.291 120.570 0.091 0.000 2.406 498 I HA 0.351 4.521 4.170 -0.001 0.000 0.290 498 I C -0.563 175.610 176.117 0.095 0.000 0.999 498 I CA -1.214 60.142 61.300 0.093 0.000 1.124 498 I CB 1.982 40.035 38.000 0.089 0.000 1.289 498 I HN 0.035 nan 8.210 nan 0.000 0.441 499 V N 7.167 127.146 119.914 0.109 0.000 2.487 499 V HA 0.432 4.552 4.120 -0.001 0.000 0.298 499 V C 0.508 176.663 176.094 0.100 0.000 1.028 499 V CA -0.395 61.982 62.300 0.127 0.000 0.860 499 V CB 1.885 33.831 31.823 0.204 0.000 0.991 499 V HN 0.763 nan 8.190 nan 0.000 0.427 500 R N 1.456 122.006 120.500 0.083 0.000 2.342 500 R HA 0.195 4.534 4.340 -0.001 0.000 0.204 500 R C 0.661 176.989 176.300 0.047 0.000 0.882 500 R CA 0.483 56.615 56.100 0.054 0.000 1.041 500 R CB 1.005 31.332 30.300 0.046 0.000 1.188 500 R HN 0.788 nan 8.270 nan 0.000 0.598 501 T N -2.413 112.183 114.554 0.071 0.000 2.926 501 T HA 0.289 4.638 4.350 -0.001 0.000 0.289 501 T C 0.765 175.533 174.700 0.113 0.000 1.054 501 T CA -0.858 61.283 62.100 0.069 0.000 1.015 501 T CB 2.444 71.350 68.868 0.063 0.000 1.167 501 T HN -0.054 nan 8.240 nan 0.000 0.526 502 E N 0.562 120.833 120.200 0.118 0.000 2.077 502 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 502 E C 1.835 178.588 176.600 0.255 0.000 0.989 502 E CA 0.991 57.520 56.400 0.214 0.000 0.800 502 E CB -0.126 29.722 29.700 0.247 0.000 0.746 502 E HN 0.511 nan 8.360 nan 0.000 0.452 503 N N 1.147 119.944 118.700 0.161 0.000 2.120 503 N HA -0.168 4.572 4.740 -0.001 0.000 0.188 503 N C 1.633 177.221 175.510 0.131 0.000 1.024 503 N CA 1.101 54.230 53.050 0.133 0.000 0.852 503 N CB -0.154 38.381 38.487 0.080 0.000 1.003 503 N HN 0.279 nan 8.380 nan 0.000 0.424 504 E N -0.274 120.004 120.200 0.129 0.000 2.077 504 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 504 E C 1.654 178.337 176.600 0.138 0.000 0.989 504 E CA 0.642 57.111 56.400 0.116 0.000 0.800 504 E CB -0.190 29.577 29.700 0.112 0.000 0.746 504 E HN 0.278 nan 8.360 nan 0.000 0.452 505 F N 0.982 120.964 119.950 0.054 0.000 2.102 505 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 505 F C 2.093 177.923 175.800 0.050 0.000 1.105 505 F CA 1.144 59.169 58.000 0.042 0.000 1.239 505 F CB -0.318 38.660 39.000 -0.035 0.000 0.991 505 F HN -0.196 nan 8.300 nan 0.000 0.474 506 V N -0.603 119.377 119.914 0.111 0.000 2.332 506 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 506 V C 2.660 178.724 176.094 -0.050 0.000 1.055 506 V CA 2.032 64.351 62.300 0.031 0.000 1.038 506 V CB -1.094 30.847 31.823 0.196 0.000 0.651 506 V HN 0.525 nan 8.190 nan 0.000 0.450 507 S N -0.349 115.348 115.700 -0.005 0.000 2.353 507 S HA -0.178 4.292 4.470 -0.001 0.000 0.222 507 S C 1.961 176.529 174.600 -0.054 0.000 1.035 507 S CA 2.087 60.280 58.200 -0.011 0.000 1.025 507 S CB -0.216 62.998 63.200 0.022 0.000 0.902 507 S HN 0.331 nan 8.310 nan 0.000 0.440 508 V N 1.882 121.752 119.914 -0.073 0.000 2.427 508 V HA -0.119 4.001 4.120 -0.001 0.000 0.248 508 V C 2.487 178.468 176.094 -0.189 0.000 1.051 508 V CA 2.012 64.263 62.300 -0.082 0.000 1.048 508 V CB -0.728 31.081 31.823 -0.024 0.000 0.666 508 V HN 0.583 nan 8.190 nan 0.000 0.456 509 M N 0.597 120.018 119.600 -0.299 0.000 2.080 509 M HA -0.187 4.293 4.480 -0.001 0.000 0.260 509 M C 2.043 178.222 176.300 -0.202 0.000 1.068 509 M CA 1.951 57.078 55.300 -0.288 0.000 1.109 509 M CB -0.590 31.713 32.600 -0.495 0.000 1.342 509 M HN 0.137 nan 8.290 nan 0.000 0.405 510 K N -0.337 119.970 120.400 -0.156 0.000 2.057 510 K HA -0.195 4.125 4.320 -0.001 0.000 0.206 510 K C 2.133 178.656 176.600 -0.129 0.000 1.050 510 K CA 1.716 57.941 56.287 -0.105 0.000 0.935 510 K CB -0.397 32.070 32.500 -0.055 0.000 0.715 510 K HN 0.592 nan 8.250 nan 0.000 0.439 511 E N 0.942 121.058 120.200 -0.139 0.000 2.038 511 E HA -0.245 4.104 4.350 -0.001 0.000 0.195 511 E C 1.988 178.377 176.600 -0.351 0.000 1.000 511 E CA 1.311 57.626 56.400 -0.141 0.000 0.803 511 E CB -0.075 29.592 29.700 -0.055 0.000 0.750 511 E HN 0.305 nan 8.360 nan 0.000 0.448 512 A N 1.073 123.513 122.820 -0.634 0.000 1.865 512 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 512 A C 2.181 179.423 177.584 -0.570 0.000 1.191 512 A CA 1.648 52.964 52.037 -1.203 0.000 0.623 512 A CB -0.624 17.791 19.000 -0.975 0.000 0.826 512 A HN 0.312 nan 8.150 nan 0.000 0.444 513 Q N -0.611 119.007 119.800 -0.304 0.000 2.135 513 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 513 Q C 2.422 178.359 176.000 -0.106 0.000 0.981 513 Q CA 1.646 57.359 55.803 -0.149 0.000 0.856 513 Q CB -0.633 28.054 28.738 -0.085 0.000 0.902 513 Q HN 0.683 nan 8.270 nan 0.000 0.425 514 A N 1.096 123.850 122.820 -0.110 0.000 1.930 514 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 514 A C 1.031 178.595 177.584 -0.033 0.000 1.175 514 A CA 1.166 53.170 52.037 -0.055 0.000 0.627 514 A CB -0.222 18.753 19.000 -0.042 0.000 0.815 514 A HN 0.216 nan 8.150 nan 0.000 0.443 515 D N 0.303 120.672 120.400 -0.051 0.000 2.494 515 D HA 0.259 4.899 4.640 -0.001 0.000 0.217 515 D C 1.139 177.478 176.300 0.065 0.000 1.153 515 D CA 0.327 54.353 54.000 0.043 0.000 0.954 515 D CB 0.674 41.570 40.800 0.160 0.000 1.034 515 D HN 0.163 nan 8.370 nan 0.000 0.518 516 V N 1.226 121.168 119.914 0.046 0.000 3.380 516 V HA 0.072 4.191 4.120 -0.001 0.000 0.268 516 V C 0.897 177.033 176.094 0.071 0.000 1.168 516 V CA 0.670 63.001 62.300 0.050 0.000 1.156 516 V CB -0.380 31.463 31.823 0.034 0.000 0.785 516 V HN 0.327 nan 8.190 nan 0.000 0.487 517 N N 1.037 119.785 118.700 0.081 0.000 2.230 517 N HA 0.269 5.009 4.740 -0.001 0.000 0.202 517 N C 0.278 175.831 175.510 0.071 0.000 1.119 517 N CA 0.136 53.225 53.050 0.065 0.000 0.851 517 N CB 0.601 39.116 38.487 0.048 0.000 0.990 517 N HN 0.590 nan 8.380 nan 0.000 0.497 518 R N -0.143 120.429 120.500 0.121 0.000 2.808 518 R HA 0.393 4.733 4.340 -0.001 0.000 0.272 518 R C -0.595 175.792 176.300 0.146 0.000 0.995 518 R CA -0.687 55.462 56.100 0.081 0.000 0.917 518 R CB 2.375 32.675 30.300 -0.001 0.000 1.217 518 R HN 0.016 nan 8.270 nan 0.000 0.471 519 M N 1.729 121.357 119.600 0.047 0.000 2.235 519 M HA 0.296 4.775 4.480 -0.001 0.000 0.351 519 M C -1.448 174.852 176.300 0.000 0.000 1.178 519 M CA 0.072 55.428 55.300 0.092 0.000 1.143 519 M CB 0.559 33.192 32.600 0.056 0.000 1.530 519 M HN 0.462 nan 8.290 nan 0.000 0.461 520 Y N 3.360 123.658 120.300 -0.003 0.000 2.393 520 Y HA 0.372 4.921 4.550 -0.001 0.000 0.341 520 Y C -1.046 174.856 175.900 0.004 0.000 0.988 520 Y CA -0.444 57.633 58.100 -0.039 0.000 1.078 520 Y CB 1.364 39.732 38.460 -0.153 0.000 1.203 520 Y HN 0.638 nan 8.280 nan 0.000 0.453 521 W N 7.385 128.610 121.300 -0.125 0.000 2.453 521 W HA 0.584 5.243 4.660 -0.001 0.000 0.310 521 W C -2.048 174.405 176.519 -0.109 0.000 1.000 521 W CA -0.890 56.373 57.345 -0.137 0.000 1.367 521 W CB 0.837 30.228 29.460 -0.115 0.000 1.269 521 W HN 0.474 nan 8.180 nan 0.000 0.418 522 I N 4.212 124.570 120.570 -0.355 0.000 2.382 522 I HA 0.113 4.283 4.170 -0.001 0.000 0.285 522 I C 0.224 176.239 176.117 -0.170 0.000 1.007 522 I CA -0.436 60.749 61.300 -0.191 0.000 1.142 522 I CB 1.827 39.686 38.000 -0.234 0.000 1.289 522 I HN 0.297 nan 8.210 nan 0.000 0.453 523 E N 7.707 127.874 120.200 -0.055 0.000 2.129 523 E HA 0.327 4.677 4.350 -0.001 0.000 0.283 523 E C -1.124 175.510 176.600 0.056 0.000 1.080 523 E CA -0.495 55.897 56.400 -0.014 0.000 0.867 523 E CB 0.733 30.490 29.700 0.094 0.000 1.056 523 E HN 0.544 nan 8.360 nan 0.000 0.404 524 L N 4.830 126.083 121.223 0.051 0.000 2.276 524 L HA 0.334 4.674 4.340 -0.001 0.000 0.286 524 L C -0.454 176.426 176.870 0.018 0.000 1.061 524 L CA -0.998 53.882 54.840 0.065 0.000 0.807 524 L CB 1.473 43.566 42.059 0.057 0.000 1.177 524 L HN 0.345 nan 8.230 nan 0.000 0.429 525 V N 5.363 125.292 119.914 0.025 0.000 2.370 525 V HA 0.461 4.581 4.120 -0.001 0.000 0.279 525 V C 0.035 176.121 176.094 -0.013 0.000 1.029 525 V CA -0.306 62.003 62.300 0.015 0.000 0.870 525 V CB 1.518 33.362 31.823 0.036 0.000 0.984 525 V HN 0.481 nan 8.190 nan 0.000 0.451 526 L N 3.509 124.719 121.223 -0.021 0.000 2.376 526 L HA 0.589 4.929 4.340 -0.001 0.000 0.258 526 L C -0.065 176.795 176.870 -0.016 0.000 1.013 526 L CA -0.632 54.188 54.840 -0.033 0.000 0.822 526 L CB 2.084 44.109 42.059 -0.056 0.000 1.388 526 L HN 0.434 nan 8.230 nan 0.000 0.413 527 E N 1.119 121.310 120.200 -0.016 0.000 2.373 527 E HA 0.049 4.398 4.350 -0.001 0.000 0.267 527 E C 0.403 177.001 176.600 -0.004 0.000 1.032 527 E CA -0.149 56.246 56.400 -0.008 0.000 0.889 527 E CB 0.999 30.694 29.700 -0.009 0.000 0.984 527 E HN 0.544 nan 8.360 nan 0.000 0.425 528 K N 1.637 122.034 120.400 -0.005 0.000 2.209 528 K HA -0.170 4.149 4.320 -0.001 0.000 0.204 528 K C 0.762 177.364 176.600 0.004 0.000 1.048 528 K CA 1.425 57.711 56.287 -0.002 0.000 0.940 528 K CB 0.061 32.554 32.500 -0.013 0.000 0.729 528 K HN 0.179 nan 8.250 nan 0.000 0.451 529 E N 1.182 121.382 120.200 -0.001 0.000 2.481 529 E HA -0.015 4.335 4.350 -0.001 0.000 0.195 529 E C -0.401 176.203 176.600 0.005 0.000 1.047 529 E CA 0.371 56.771 56.400 -0.001 0.000 0.867 529 E CB 0.065 29.761 29.700 -0.007 0.000 0.858 529 E HN 0.305 nan 8.360 nan 0.000 0.513 530 D N 0.585 120.990 120.400 0.008 0.000 2.295 530 D HA 0.423 5.063 4.640 -0.001 0.000 0.248 530 D C -1.035 175.286 176.300 0.035 0.000 1.154 530 D CA -0.274 53.734 54.000 0.013 0.000 0.857 530 D CB 0.771 41.571 40.800 0.000 0.000 1.117 530 D HN 0.049 nan 8.370 nan 0.000 0.468 531 A N 4.400 127.244 122.820 0.040 0.000 2.449 531 A HA 0.686 5.005 4.320 -0.001 0.000 0.302 531 A C -2.684 174.943 177.584 0.071 0.000 1.048 531 A CA -1.415 50.660 52.037 0.064 0.000 0.708 531 A CB 1.683 20.706 19.000 0.039 0.000 1.274 531 A HN 0.477 nan 8.150 nan 0.000 0.410 532 P HA 0.103 nan 4.420 nan 0.000 0.269 532 P C 0.328 177.650 177.300 0.037 0.000 1.215 532 P CA -0.007 63.163 63.100 0.117 0.000 0.780 532 P CB 0.770 32.560 31.700 0.149 0.000 0.898 533 K N 0.820 121.236 120.400 0.026 0.000 2.089 533 K HA -0.208 4.112 4.320 -0.001 0.000 0.210 533 K C 1.879 178.452 176.600 -0.046 0.000 1.048 533 K CA 1.331 57.612 56.287 -0.009 0.000 0.926 533 K CB -0.569 31.930 32.500 -0.003 0.000 0.714 533 K HN 0.276 nan 8.250 nan 0.000 0.448 534 L N 1.102 122.294 121.223 -0.053 0.000 2.046 534 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 534 L C 2.026 178.784 176.870 -0.188 0.000 1.077 534 L CA 1.404 56.187 54.840 -0.095 0.000 0.747 534 L CB -0.459 41.566 42.059 -0.057 0.000 0.896 534 L HN 0.129 nan 8.230 nan 0.000 0.432 535 L N -0.759 120.357 121.223 -0.178 0.000 2.156 535 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 535 L C 2.367 179.121 176.870 -0.193 0.000 1.095 535 L CA 1.546 56.200 54.840 -0.309 0.000 0.770 535 L CB -0.730 41.238 42.059 -0.152 0.000 0.914 535 L HN 0.215 nan 8.230 nan 0.000 0.439 536 K N -0.317 120.020 120.400 -0.106 0.000 2.103 536 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 536 K C 2.004 178.545 176.600 -0.098 0.000 1.048 536 K CA 1.833 58.075 56.287 -0.074 0.000 0.930 536 K CB -0.091 32.383 32.500 -0.044 0.000 0.716 536 K HN 0.399 nan 8.250 nan 0.000 0.444 537 K N -0.036 120.286 120.400 -0.130 0.000 2.067 537 K HA -0.028 4.291 4.320 -0.001 0.000 0.203 537 K C 2.059 178.534 176.600 -0.207 0.000 1.048 537 K CA 0.903 57.105 56.287 -0.141 0.000 0.954 537 K CB -0.078 32.343 32.500 -0.132 0.000 0.737 537 K HN -0.022 nan 8.250 nan 0.000 0.444 538 M N 0.993 120.407 119.600 -0.311 0.000 2.229 538 M HA -0.000 4.479 4.480 -0.001 0.000 0.264 538 M C 1.862 177.934 176.300 -0.380 0.000 1.063 538 M CA 1.352 56.364 55.300 -0.481 0.000 1.114 538 M CB -0.513 31.659 32.600 -0.714 0.000 1.387 538 M HN 0.214 nan 8.290 nan 0.000 0.420 539 G N 0.160 108.853 108.800 -0.179 0.000 2.440 539 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 539 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 539 G C 1.612 176.529 174.900 0.029 0.000 1.154 539 G CA 0.860 45.972 45.100 0.021 0.000 0.767 539 G HN 0.350 nan 8.290 nan 0.000 0.552 540 K N 0.201 120.575 120.400 -0.044 0.000 2.217 540 K HA 0.157 4.476 4.320 -0.001 0.000 0.202 540 K C 2.483 179.059 176.600 -0.041 0.000 1.051 540 K CA 0.343 56.616 56.287 -0.024 0.000 0.952 540 K CB -0.362 32.116 32.500 -0.038 0.000 0.736 540 K HN 0.370 nan 8.250 nan 0.000 0.453 541 L N -0.531 120.614 121.223 -0.130 0.000 2.109 541 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 541 L C 2.227 179.024 176.870 -0.121 0.000 1.086 541 L CA 0.754 55.493 54.840 -0.168 0.000 0.760 541 L CB -0.461 41.422 42.059 -0.293 0.000 0.910 541 L HN -0.056 nan 8.230 nan 0.000 0.437 542 F N 0.673 120.579 119.950 -0.073 0.000 2.134 542 F HA -0.208 4.318 4.527 -0.001 0.000 0.299 542 F C 2.672 178.454 175.800 -0.031 0.000 1.097 542 F CA 1.167 59.133 58.000 -0.058 0.000 1.264 542 F CB -1.051 37.906 39.000 -0.073 0.000 1.001 542 F HN 0.007 nan 8.300 nan 0.000 0.479 543 A N -0.425 122.499 122.820 0.173 0.000 1.908 543 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 543 A C 2.207 179.837 177.584 0.076 0.000 1.181 543 A CA 1.975 54.080 52.037 0.114 0.000 0.627 543 A CB -0.949 18.115 19.000 0.107 0.000 0.818 543 A HN 0.456 nan 8.150 nan 0.000 0.445 544 E N -0.678 119.556 120.200 0.056 0.000 2.106 544 E HA -0.258 4.091 4.350 -0.001 0.000 0.192 544 E C 2.162 178.791 176.600 0.048 0.000 0.984 544 E CA 1.218 57.642 56.400 0.039 0.000 0.806 544 E CB -0.163 29.547 29.700 0.017 0.000 0.750 544 E HN 0.765 nan 8.360 nan 0.000 0.458 545 Q N 0.071 119.912 119.800 0.069 0.000 2.226 545 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 545 Q C 0.959 177.000 176.000 0.068 0.000 0.975 545 Q CA 1.265 57.122 55.803 0.090 0.000 0.866 545 Q CB 0.148 28.972 28.738 0.143 0.000 0.915 545 Q HN 0.192 nan 8.270 nan 0.000 0.440 546 N N 0.138 118.870 118.700 0.052 0.000 2.322 546 N HA 0.076 4.815 4.740 -0.001 0.000 0.194 546 N C -0.581 174.930 175.510 0.001 0.000 1.126 546 N CA 0.315 53.373 53.050 0.013 0.000 0.845 546 N CB 0.511 38.988 38.487 -0.016 0.000 0.976 546 N HN 0.193 nan 8.380 nan 0.000 0.475 547 K N 0.000 120.410 120.400 0.017 0.000 2.780 547 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 547 K CA 0.000 56.295 56.287 0.013 0.000 0.838 547 K CB 0.000 32.514 32.500 0.023 0.000 1.064 547 K HN 0.000 nan 8.250 nan 0.000 0.543