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 2vbg_1_B 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 EGQYIDKXXE 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 0.000 175.328 175.328 -0.000 0.000 0.993 -14 H CA 0.000 56.048 56.048 -0.000 0.000 1.023 -14 H CB 0.000 29.762 29.762 -0.000 0.000 1.292 -13 S N 1.083 116.869 115.700 0.144 0.000 2.380 -13 S HA -0.207 4.255 4.470 -0.014 0.000 0.229 -13 S C 1.973 176.606 174.600 0.056 0.000 1.043 -13 S CA 2.401 60.643 58.200 0.070 0.000 1.038 -13 S CB -0.099 63.128 63.200 0.044 0.000 0.872 -13 S HN 0.676 nan 8.310 nan 0.000 0.456 -12 S N -0.232 115.505 115.700 0.062 0.000 2.447 -12 S HA 0.196 4.658 4.470 -0.014 0.000 0.233 -12 S C 1.685 176.312 174.600 0.046 0.000 1.006 -12 S CA 1.275 59.500 58.200 0.042 0.000 0.957 -12 S CB -0.718 62.499 63.200 0.028 0.000 0.773 -12 S HN 1.405 nan 8.310 nan 0.000 0.507 -11 G N 0.426 109.265 108.800 0.065 0.000 2.157 -11 G HA2 -0.201 3.751 3.960 -0.014 0.000 0.239 -11 G HA3 -0.201 3.751 3.960 -0.014 0.000 0.239 -11 G C -0.020 174.909 174.900 0.049 0.000 0.982 -11 G CA 0.240 45.367 45.100 0.045 0.000 0.650 -11 G HN 0.513 nan 8.290 nan 0.000 0.527 2 Y N 1.535 121.843 120.300 0.012 0.000 2.377 2 Y HA 0.462 5.004 4.550 -0.014 0.000 0.330 2 Y C 0.547 176.463 175.900 0.027 0.000 1.108 2 Y CA 0.749 58.865 58.100 0.026 0.000 1.308 2 Y CB 0.715 39.196 38.460 0.036 0.000 1.216 2 Y HN 0.619 nan 8.280 nan 0.000 0.518 3 T N 0.837 115.201 114.554 -0.317 0.000 2.910 3 T HA 0.333 4.675 4.350 -0.014 0.000 0.287 3 T C 0.710 175.260 174.700 -0.250 0.000 1.050 3 T CA -0.636 61.347 62.100 -0.195 0.000 1.011 3 T CB 1.013 69.807 68.868 -0.124 0.000 1.195 3 T HN 0.380 nan 8.240 nan 0.000 0.540 4 V N 1.392 121.223 119.914 -0.138 0.000 2.332 4 V HA -0.053 4.059 4.120 -0.014 0.000 0.248 4 V C 2.889 178.945 176.094 -0.063 0.000 1.055 4 V CA 2.595 64.825 62.300 -0.115 0.000 1.038 4 V CB -1.490 30.244 31.823 -0.149 0.000 0.651 4 V HN 1.107 nan 8.190 nan 0.000 0.450 5 G N -0.276 108.494 108.800 -0.049 0.000 2.440 5 G HA2 -0.258 3.694 3.960 -0.014 0.000 0.218 5 G HA3 -0.258 3.694 3.960 -0.014 0.000 0.218 5 G C 1.252 176.221 174.900 0.115 0.000 1.154 5 G CA 1.052 46.227 45.100 0.126 0.000 0.767 5 G HN 0.528 nan 8.290 nan 0.000 0.552 6 D N -0.417 119.907 120.400 -0.127 0.000 2.117 6 D HA -0.139 4.493 4.640 -0.014 0.000 0.197 6 D C 1.954 178.153 176.300 -0.168 0.000 0.987 6 D CA 0.914 54.754 54.000 -0.267 0.000 0.829 6 D CB -0.323 40.052 40.800 -0.709 0.000 0.961 6 D HN 0.425 nan 8.370 nan 0.000 0.460 7 Y N 1.250 121.367 120.300 -0.305 0.000 2.128 7 Y HA -0.241 4.301 4.550 -0.014 0.000 0.284 7 Y C 2.293 178.224 175.900 0.051 0.000 1.154 7 Y CA 1.106 59.215 58.100 0.014 0.000 1.149 7 Y CB -0.235 38.248 38.460 0.039 0.000 0.976 7 Y HN -0.089 nan 8.280 nan 0.000 0.505 8 L N 0.193 121.555 121.223 0.232 0.000 2.017 8 L HA -0.213 4.119 4.340 -0.014 0.000 0.208 8 L C 2.097 179.050 176.870 0.139 0.000 1.073 8 L CA 1.797 56.741 54.840 0.173 0.000 0.745 8 L CB -1.017 41.108 42.059 0.109 0.000 0.894 8 L HN 0.342 nan 8.230 nan 0.000 0.432 9 L N -0.687 120.630 121.223 0.157 0.000 2.083 9 L HA -0.211 4.120 4.340 -0.014 0.000 0.209 9 L C 2.281 179.204 176.870 0.087 0.000 1.083 9 L CA 1.256 56.166 54.840 0.117 0.000 0.752 9 L CB -0.864 41.234 42.059 0.065 0.000 0.899 9 L HN 0.273 nan 8.230 nan 0.000 0.433 10 D N -0.202 120.232 120.400 0.057 0.000 2.123 10 D HA -0.158 4.474 4.640 -0.014 0.000 0.196 10 D C 2.383 178.714 176.300 0.051 0.000 0.992 10 D CA 0.956 54.989 54.000 0.055 0.000 0.833 10 D CB -0.115 40.705 40.800 0.032 0.000 0.954 10 D HN 0.087 nan 8.370 nan 0.000 0.455 11 R N 0.247 120.734 120.500 -0.022 0.000 2.096 11 R HA -0.004 4.328 4.340 -0.014 0.000 0.235 11 R C 2.537 178.866 176.300 0.049 0.000 1.127 11 R CA 0.322 56.415 56.100 -0.011 0.000 0.968 11 R CB -0.932 29.358 30.300 -0.016 0.000 0.861 11 R HN 0.330 nan 8.270 nan 0.000 0.440 12 L N -0.603 120.669 121.223 0.081 0.000 2.093 12 L HA -0.182 4.149 4.340 -0.014 0.000 0.208 12 L C 2.517 179.447 176.870 0.100 0.000 1.085 12 L CA 1.493 56.388 54.840 0.092 0.000 0.755 12 L CB -0.625 41.498 42.059 0.106 0.000 0.904 12 L HN 0.238 nan 8.230 nan 0.000 0.435 13 H N 0.510 119.599 119.070 0.032 0.000 2.352 13 H HA -0.198 4.349 4.556 -0.014 0.000 0.299 13 H C 2.123 177.469 175.328 0.030 0.000 1.097 13 H CA 1.939 58.005 56.048 0.031 0.000 1.311 13 H CB 0.072 29.846 29.762 0.020 0.000 1.377 13 H HN 0.270 nan 8.280 nan 0.000 0.504 14 E N -0.074 120.092 120.200 -0.056 0.000 2.160 14 E HA -0.150 4.192 4.350 -0.014 0.000 0.195 14 E C 1.998 178.547 176.600 -0.085 0.000 0.991 14 E CA 1.151 57.494 56.400 -0.096 0.000 0.810 14 E CB -0.045 29.649 29.700 -0.011 0.000 0.742 14 E HN 0.538 nan 8.360 nan 0.000 0.466 15 L N -0.770 120.433 121.223 -0.035 0.000 2.552 15 L HA 0.030 4.362 4.340 -0.014 0.000 0.227 15 L C 1.467 178.332 176.870 -0.009 0.000 1.146 15 L CA 0.554 55.392 54.840 -0.004 0.000 0.858 15 L CB -0.029 42.051 42.059 0.035 0.000 0.969 15 L HN 0.330 nan 8.230 nan 0.000 0.451 16 G N 0.478 109.241 108.800 -0.062 0.000 2.159 16 G HA2 -0.252 3.700 3.960 -0.014 0.000 0.227 16 G HA3 -0.252 3.700 3.960 -0.014 0.000 0.227 16 G C 0.184 175.117 174.900 0.054 0.000 0.986 16 G CA -0.432 44.640 45.100 -0.047 0.000 0.651 16 G HN 0.249 nan 8.290 nan 0.000 0.523 17 I N 0.995 121.623 120.570 0.097 0.000 2.396 17 I HA 0.271 4.432 4.170 -0.014 0.000 0.289 17 I C 1.177 177.386 176.117 0.153 0.000 1.056 17 I CA 0.127 61.540 61.300 0.189 0.000 1.365 17 I CB 0.944 39.030 38.000 0.143 0.000 1.407 17 I HN 0.196 nan 8.210 nan 0.000 0.509 18 E N 4.357 124.673 120.200 0.193 0.000 2.562 18 E HA 0.166 4.508 4.350 -0.014 0.000 0.214 18 E C -0.566 176.040 176.600 0.010 0.000 0.979 18 E CA 0.054 56.528 56.400 0.122 0.000 1.002 18 E CB 0.796 30.581 29.700 0.143 0.000 1.048 18 E HN 0.557 nan 8.360 nan 0.000 0.488 19 E N 0.678 120.795 120.200 -0.139 0.000 2.308 19 E HA 0.436 4.777 4.350 -0.014 0.000 0.275 19 E C -1.228 174.953 176.600 -0.697 0.000 0.890 19 E CA -0.284 55.847 56.400 -0.449 0.000 0.754 19 E CB 2.436 31.783 29.700 -0.589 0.000 1.207 19 E HN -0.026 nan 8.360 nan 0.000 0.426 20 I N 3.479 123.684 120.570 -0.608 0.000 2.436 20 I HA 0.448 4.610 4.170 -0.014 0.000 0.289 20 I C -0.737 174.963 176.117 -0.694 0.000 1.010 20 I CA -0.734 60.304 61.300 -0.438 0.000 1.098 20 I CB 0.749 38.757 38.000 0.013 0.000 1.266 20 I HN 0.366 nan 8.210 nan 0.000 0.434 21 F N 3.115 122.931 119.950 -0.223 0.000 2.410 21 F HA 0.893 5.412 4.527 -0.013 0.000 0.324 21 F C 1.056 176.713 175.800 -0.238 0.000 1.093 21 F CA -0.239 57.526 58.000 -0.392 0.000 1.028 21 F CB 1.325 40.174 39.000 -0.252 0.000 1.309 21 F HN 0.586 nan 8.300 nan 0.000 0.499 22 G N -0.764 108.002 108.800 -0.057 0.000 2.325 22 G HA2 0.347 4.299 3.960 -0.014 0.000 0.285 22 G HA3 0.347 4.299 3.960 -0.014 0.000 0.285 22 G C -2.434 172.645 174.900 0.297 0.000 1.303 22 G CA -0.867 44.398 45.100 0.276 0.000 0.970 22 G HN 0.644 nan 8.290 nan 0.000 0.490 23 V N 1.543 121.727 119.914 0.450 0.000 2.623 23 V HA 0.624 4.736 4.120 -0.014 0.000 0.304 23 V C -2.199 174.100 176.094 0.342 0.000 1.054 23 V CA -1.196 61.326 62.300 0.369 0.000 0.882 23 V CB 2.213 34.155 31.823 0.199 0.000 1.002 23 V HN 0.713 nan 8.190 nan 0.000 0.424 24 P HA 0.528 nan 4.420 nan 0.000 0.272 24 P C -0.085 177.278 177.300 0.104 0.000 1.230 24 P CA 0.071 63.236 63.100 0.109 0.000 0.788 24 P CB 0.914 32.632 31.700 0.030 0.000 0.949 25 G N 0.091 108.942 108.800 0.084 0.000 2.698 25 G HA2 0.315 4.267 3.960 -0.014 0.000 0.293 25 G HA3 0.315 4.267 3.960 -0.014 0.000 0.293 25 G C 0.222 175.153 174.900 0.051 0.000 1.437 25 G CA -0.555 44.603 45.100 0.097 0.000 0.852 25 G HN 0.456 nan 8.290 nan 0.000 0.499 26 D N -0.414 119.973 120.400 -0.022 0.000 2.190 26 D HA -0.215 4.417 4.640 -0.014 0.000 0.200 26 D C 1.119 177.434 176.300 0.024 0.000 0.992 26 D CA 1.386 55.352 54.000 -0.057 0.000 0.854 26 D CB -0.152 40.577 40.800 -0.118 0.000 0.936 26 D HN 0.361 nan 8.370 nan 0.000 0.462 27 Y N 1.202 121.592 120.300 0.150 0.000 2.616 27 Y HA 0.028 4.570 4.550 -0.014 0.000 0.296 27 Y C 1.419 177.361 175.900 0.069 0.000 1.154 27 Y CA 0.912 59.069 58.100 0.096 0.000 1.325 27 Y CB -0.674 37.864 38.460 0.130 0.000 1.007 27 Y HN 0.263 nan 8.280 nan 0.000 0.542 28 N N -1.563 117.255 118.700 0.196 0.000 2.143 28 N HA 0.055 4.787 4.740 -0.014 0.000 0.222 28 N C 0.799 176.347 175.510 0.062 0.000 1.264 28 N CA 0.161 53.297 53.050 0.143 0.000 0.897 28 N CB -0.843 37.735 38.487 0.153 0.000 1.092 28 N HN 0.227 nan 8.380 nan 0.000 0.516 29 L N -0.042 121.192 121.223 0.019 0.000 2.093 29 L HA -0.062 4.270 4.340 -0.014 0.000 0.208 29 L C 2.616 179.449 176.870 -0.061 0.000 1.085 29 L CA 1.380 56.185 54.840 -0.058 0.000 0.755 29 L CB -0.392 41.638 42.059 -0.048 0.000 0.904 29 L HN 0.348 nan 8.230 nan 0.000 0.435 30 Q N -0.209 119.591 119.800 -0.001 0.000 2.119 30 Q HA -0.229 4.102 4.340 -0.014 0.000 0.201 30 Q C 2.220 178.234 176.000 0.023 0.000 0.972 30 Q CA 1.482 57.284 55.803 -0.001 0.000 0.847 30 Q CB -0.070 28.679 28.738 0.018 0.000 0.903 30 Q HN 0.404 nan 8.270 nan 0.000 0.433 31 F N 0.759 120.650 119.950 -0.098 0.000 2.186 31 F HA -0.141 4.377 4.527 -0.014 0.000 0.299 31 F C 1.681 177.387 175.800 -0.157 0.000 1.090 31 F CA 1.042 58.975 58.000 -0.112 0.000 1.307 31 F CB -0.313 38.629 39.000 -0.096 0.000 1.019 31 F HN 0.070 nan 8.300 nan 0.000 0.489 32 L N 0.042 121.070 121.223 -0.325 0.000 2.079 32 L HA -0.273 4.059 4.340 -0.014 0.000 0.210 32 L C 2.146 178.761 176.870 -0.424 0.000 1.081 32 L CA 1.645 56.164 54.840 -0.535 0.000 0.752 32 L CB -0.708 41.013 42.059 -0.563 0.000 0.896 32 L HN 0.082 nan 8.230 nan 0.000 0.433 33 D N -0.522 119.717 120.400 -0.268 0.000 2.149 33 D HA -0.232 4.400 4.640 -0.014 0.000 0.198 33 D C 2.231 178.411 176.300 -0.201 0.000 0.990 33 D CA 1.223 55.107 54.000 -0.194 0.000 0.839 33 D CB -0.137 40.590 40.800 -0.121 0.000 0.948 33 D HN 0.483 nan 8.370 nan 0.000 0.460 34 Q N -0.119 119.538 119.800 -0.239 0.000 2.119 34 Q HA -0.039 4.293 4.340 -0.014 0.000 0.201 34 Q C 2.480 178.313 176.000 -0.277 0.000 0.972 34 Q CA 0.617 56.286 55.803 -0.223 0.000 0.847 34 Q CB 0.088 28.715 28.738 -0.185 0.000 0.903 34 Q HN 0.362 nan 8.270 nan 0.000 0.433 35 I N 0.567 120.883 120.570 -0.423 0.000 2.202 35 I HA -0.253 3.909 4.170 -0.014 0.000 0.242 35 I C 2.047 178.056 176.117 -0.179 0.000 1.091 35 I CA 0.757 61.861 61.300 -0.326 0.000 1.368 35 I CB -0.254 37.512 38.000 -0.391 0.000 1.058 35 I HN 0.222 nan 8.210 nan 0.000 0.410 36 I N 0.524 120.981 120.570 -0.187 0.000 2.335 36 I HA -0.233 3.929 4.170 -0.014 0.000 0.251 36 I C 2.537 178.605 176.117 -0.081 0.000 1.129 36 I CA 1.519 62.756 61.300 -0.106 0.000 1.402 36 I CB -1.165 36.763 38.000 -0.120 0.000 1.069 36 I HN 0.174 nan 8.210 nan 0.000 0.424 37 S N 0.405 116.046 115.700 -0.098 0.000 2.453 37 S HA 0.010 4.472 4.470 -0.014 0.000 0.231 37 S C 0.945 175.508 174.600 -0.061 0.000 1.005 37 S CA 0.160 58.317 58.200 -0.072 0.000 0.949 37 S CB -0.070 63.085 63.200 -0.074 0.000 0.774 37 S HN 0.333 nan 8.310 nan 0.000 0.510 38 R N 2.196 122.653 120.500 -0.071 0.000 2.623 38 R HA 0.101 4.433 4.340 -0.014 0.000 0.271 38 R C 0.821 177.094 176.300 -0.044 0.000 1.043 38 R CA 0.165 56.229 56.100 -0.061 0.000 1.083 38 R CB 0.148 30.409 30.300 -0.065 0.000 0.974 38 R HN 0.313 nan 8.270 nan 0.000 0.436 39 E N 1.346 121.520 120.200 -0.043 0.000 2.318 39 E HA -0.092 4.250 4.350 -0.014 0.000 0.193 39 E C 0.725 177.310 176.600 -0.024 0.000 0.998 39 E CA 0.734 57.115 56.400 -0.031 0.000 0.859 39 E CB 0.220 29.902 29.700 -0.030 0.000 0.812 39 E HN 0.583 nan 8.360 nan 0.000 0.492 40 D N 0.228 120.604 120.400 -0.040 0.000 2.349 40 D HA -0.004 4.628 4.640 -0.014 0.000 0.214 40 D C 1.058 177.380 176.300 0.037 0.000 1.063 40 D CA 0.079 54.070 54.000 -0.015 0.000 0.847 40 D CB -0.023 40.704 40.800 -0.121 0.000 0.933 40 D HN 0.155 nan 8.370 nan 0.000 0.513 41 M N -2.467 117.139 119.600 0.009 0.000 2.603 41 M HA 0.498 4.970 4.480 -0.014 0.000 0.275 41 M C -1.714 174.578 176.300 -0.014 0.000 1.226 41 M CA -1.033 54.272 55.300 0.009 0.000 0.870 41 M CB 2.987 35.596 32.600 0.015 0.000 1.716 41 M HN -0.271 nan 8.290 nan 0.000 0.482 42 K N 1.411 121.789 120.400 -0.037 0.000 2.324 42 K HA 0.357 4.669 4.320 -0.014 0.000 0.253 42 K C -1.718 174.860 176.600 -0.037 0.000 0.932 42 K CA -0.554 55.716 56.287 -0.029 0.000 0.799 42 K CB 2.194 34.665 32.500 -0.049 0.000 1.154 42 K HN 0.832 nan 8.250 nan 0.000 0.425 43 W N 7.576 128.778 121.300 -0.164 0.000 2.303 43 W HA 0.245 4.897 4.660 -0.013 0.000 0.318 43 W C -1.163 175.265 176.519 -0.152 0.000 1.362 43 W CA -0.355 56.887 57.345 -0.171 0.000 1.234 43 W CB 0.414 29.798 29.460 -0.127 0.000 1.248 43 W HN 0.445 nan 8.180 nan 0.000 0.546 44 I N 7.356 127.381 120.570 -0.909 0.000 2.502 44 I HA 0.176 4.338 4.170 -0.014 0.000 0.276 44 I C 0.881 176.422 176.117 -0.961 0.000 1.057 44 I CA -0.588 60.279 61.300 -0.721 0.000 1.163 44 I CB 0.654 38.391 38.000 -0.439 0.000 1.288 44 I HN 0.444 nan 8.210 nan 0.000 0.479 45 G N 4.378 112.609 108.800 -0.949 0.000 2.378 45 G HA2 0.218 4.170 3.960 -0.014 0.000 0.255 45 G HA3 0.218 4.170 3.960 -0.014 0.000 0.255 45 G C -0.246 174.526 174.900 -0.213 0.000 1.270 45 G CA -0.192 44.567 45.100 -0.569 0.000 0.876 45 G HN 0.585 nan 8.290 nan 0.000 0.521 46 N N 0.482 119.106 118.700 -0.127 0.000 2.458 46 N HA 0.485 5.217 4.740 -0.014 0.000 0.271 46 N C 1.390 176.904 175.510 0.006 0.000 1.210 46 N CA 0.003 53.019 53.050 -0.056 0.000 0.978 46 N CB 1.436 39.882 38.487 -0.069 0.000 1.206 46 N HN 0.450 nan 8.380 nan 0.000 0.536 47 A N 0.306 123.133 122.820 0.012 0.000 1.872 47 A HA -0.055 4.257 4.320 -0.014 0.000 0.214 47 A C 0.499 178.107 177.584 0.040 0.000 1.187 47 A CA 1.508 53.569 52.037 0.039 0.000 0.614 47 A CB -0.722 18.316 19.000 0.063 0.000 0.826 47 A HN 0.857 nan 8.150 nan 0.000 0.442 48 N N -2.630 116.084 118.700 0.024 0.000 2.571 48 N HA 0.419 5.151 4.740 -0.014 0.000 0.273 48 N C -0.380 175.119 175.510 -0.017 0.000 1.340 48 N CA -0.369 52.691 53.050 0.016 0.000 0.789 48 N CB 0.745 39.244 38.487 0.020 0.000 1.514 48 N HN -0.068 nan 8.380 nan 0.000 0.499 49 E N -0.316 119.877 120.200 -0.011 0.000 2.112 49 E HA 0.028 4.370 4.350 -0.014 0.000 0.190 49 E C 1.389 177.900 176.600 -0.148 0.000 0.979 49 E CA 0.515 56.905 56.400 -0.016 0.000 0.814 49 E CB -0.181 29.554 29.700 0.057 0.000 0.762 49 E HN 0.520 nan 8.360 nan 0.000 0.460 50 L N 1.327 122.442 121.223 -0.180 0.000 2.012 50 L HA -0.202 4.129 4.340 -0.014 0.000 0.210 50 L C 1.360 177.888 176.870 -0.570 0.000 1.073 50 L CA 1.811 56.422 54.840 -0.382 0.000 0.748 50 L CB -0.570 41.299 42.059 -0.318 0.000 0.891 50 L HN 0.061 nan 8.230 nan 0.000 0.431 51 N N 0.176 118.698 118.700 -0.296 0.000 2.166 51 N HA -0.132 4.600 4.740 -0.014 0.000 0.186 51 N C 1.857 177.211 175.510 -0.259 0.000 1.019 51 N CA 1.543 54.486 53.050 -0.179 0.000 0.856 51 N CB -0.613 37.835 38.487 -0.064 0.000 0.993 51 N HN 0.536 nan 8.380 nan 0.000 0.426 52 A N 0.859 123.508 122.820 -0.286 0.000 1.908 52 A HA -0.183 4.129 4.320 -0.014 0.000 0.218 52 A C 2.436 179.616 177.584 -0.673 0.000 1.181 52 A CA 2.297 54.121 52.037 -0.354 0.000 0.627 52 A CB -0.922 17.981 19.000 -0.161 0.000 0.818 52 A HN 0.481 nan 8.150 nan 0.000 0.445 53 S N -1.361 113.810 115.700 -0.882 0.000 2.368 53 S HA -0.186 4.276 4.470 -0.014 0.000 0.224 53 S C 1.922 176.313 174.600 -0.348 0.000 1.029 53 S CA 1.442 59.009 58.200 -1.056 0.000 0.988 53 S CB -0.796 61.973 63.200 -0.719 0.000 0.838 53 S HN 0.496 nan 8.310 nan 0.000 0.462 54 Y N 1.405 121.557 120.300 -0.246 0.000 2.181 54 Y HA 0.051 4.592 4.550 -0.014 0.000 0.288 54 Y C 2.666 178.397 175.900 -0.283 0.000 1.146 54 Y CA 0.650 58.682 58.100 -0.113 0.000 1.164 54 Y CB -1.053 37.342 38.460 -0.108 0.000 0.982 54 Y HN 0.332 nan 8.280 nan 0.000 0.515 55 M N -0.445 118.984 119.600 -0.285 0.000 2.117 55 M HA -0.168 4.304 4.480 -0.014 0.000 0.262 55 M C 2.308 178.257 176.300 -0.585 0.000 1.065 55 M CA 1.940 56.902 55.300 -0.565 0.000 1.114 55 M CB -0.168 31.909 32.600 -0.871 0.000 1.361 55 M HN 0.201 nan 8.290 nan 0.000 0.408 56 A N -0.045 122.503 122.820 -0.453 0.000 1.933 56 A HA -0.236 4.076 4.320 -0.014 0.000 0.218 56 A C 1.918 179.575 177.584 0.121 0.000 1.175 56 A CA 2.080 54.082 52.037 -0.060 0.000 0.628 56 A CB -1.072 18.023 19.000 0.159 0.000 0.814 56 A HN 0.668 nan 8.150 nan 0.000 0.444 57 D N -0.224 120.238 120.400 0.103 0.000 2.084 57 D HA -0.117 4.515 4.640 -0.014 0.000 0.194 57 D C 2.117 178.540 176.300 0.204 0.000 0.990 57 D CA 1.752 55.878 54.000 0.210 0.000 0.826 57 D CB -0.506 40.495 40.800 0.335 0.000 0.971 57 D HN 0.317 nan 8.370 nan 0.000 0.453 58 G N -0.616 108.254 108.800 0.116 0.000 2.440 58 G HA2 -0.328 3.624 3.960 -0.014 0.000 0.218 58 G HA3 -0.328 3.624 3.960 -0.014 0.000 0.218 58 G C 1.686 176.653 174.900 0.112 0.000 1.154 58 G CA 1.021 46.160 45.100 0.065 0.000 0.767 58 G HN 0.408 nan 8.290 nan 0.000 0.552 59 Y N 1.891 122.180 120.300 -0.018 0.000 2.128 59 Y HA -0.075 4.467 4.550 -0.014 0.000 0.284 59 Y C 2.983 178.948 175.900 0.108 0.000 1.154 59 Y CA 1.718 59.862 58.100 0.073 0.000 1.149 59 Y CB -0.264 38.311 38.460 0.191 0.000 0.976 59 Y HN 0.260 nan 8.280 nan 0.000 0.505 60 A N 0.471 123.479 122.820 0.313 0.000 1.940 60 A HA -0.228 4.084 4.320 -0.014 0.000 0.219 60 A C 2.222 179.869 177.584 0.106 0.000 1.176 60 A CA 1.876 54.037 52.037 0.207 0.000 0.631 60 A CB -0.653 18.470 19.000 0.205 0.000 0.814 60 A HN 0.553 nan 8.150 nan 0.000 0.446 61 R N -1.217 119.352 120.500 0.116 0.000 2.152 61 R HA -0.073 4.258 4.340 -0.014 0.000 0.232 61 R C 1.783 178.120 176.300 0.062 0.000 1.117 61 R CA 1.771 57.932 56.100 0.102 0.000 0.981 61 R CB -0.299 30.084 30.300 0.137 0.000 0.870 61 R HN 0.550 nan 8.270 nan 0.000 0.451 62 T N -0.419 114.147 114.554 0.020 0.000 3.045 62 T HA 0.038 4.380 4.350 -0.014 0.000 0.239 62 T C 1.501 176.152 174.700 -0.083 0.000 1.008 62 T CA 0.469 62.559 62.100 -0.017 0.000 1.143 62 T CB 0.194 69.060 68.868 -0.003 0.000 0.894 62 T HN -0.026 nan 8.240 nan 0.000 0.451 63 K N 0.855 121.139 120.400 -0.193 0.000 2.305 63 K HA 0.062 4.374 4.320 -0.014 0.000 0.199 63 K C 0.395 176.957 176.600 -0.062 0.000 1.047 63 K CA 0.728 56.883 56.287 -0.221 0.000 0.976 63 K CB 0.251 32.422 32.500 -0.549 0.000 0.765 63 K HN -0.090 nan 8.250 nan 0.000 0.474 64 K N -2.610 117.783 120.400 -0.011 0.000 3.509 64 K HA -0.162 4.150 4.320 -0.014 0.000 0.302 64 K C -0.720 175.903 176.600 0.039 0.000 1.355 64 K CA 1.091 57.389 56.287 0.018 0.000 0.953 64 K CB -2.482 30.024 32.500 0.010 0.000 1.321 64 K HN 0.280 nan 8.250 nan 0.000 0.461 65 A N -0.627 122.254 122.820 0.101 0.000 2.605 65 A HA 0.874 5.186 4.320 -0.014 0.000 0.294 65 A C -1.493 176.272 177.584 0.302 0.000 1.062 65 A CA -0.002 52.124 52.037 0.148 0.000 0.682 65 A CB 1.776 20.842 19.000 0.109 0.000 1.278 65 A HN 0.830 nan 8.150 nan 0.000 0.410 66 A N -0.369 122.619 122.820 0.281 0.000 2.612 66 A HA 1.040 5.352 4.320 -0.014 0.000 0.293 66 A C -0.634 177.085 177.584 0.226 0.000 1.075 66 A CA 0.033 52.267 52.037 0.329 0.000 0.680 66 A CB 1.046 20.305 19.000 0.433 0.000 1.279 66 A HN 2.672 nan 8.150 nan 0.000 0.411 67 A N 0.313 123.246 122.820 0.189 0.000 2.486 67 A HA 0.917 5.229 4.320 -0.014 0.000 0.300 67 A C -0.896 176.876 177.584 0.314 0.000 1.048 67 A CA -0.368 51.780 52.037 0.185 0.000 0.696 67 A CB 0.782 19.845 19.000 0.105 0.000 1.278 67 A HN 2.072 nan 8.150 nan 0.000 0.405 68 F N 0.475 120.509 119.950 0.140 0.000 2.613 68 F HA 0.853 5.373 4.527 -0.013 0.000 0.314 68 F C -1.510 174.401 175.800 0.186 0.000 1.075 68 F CA -1.435 56.668 58.000 0.172 0.000 0.945 68 F CB 1.556 40.658 39.000 0.170 0.000 1.310 68 F HN 0.509 nan 8.300 nan 0.000 0.467 69 L N 2.986 124.424 121.223 0.358 0.000 2.356 69 L HA 0.795 5.127 4.340 -0.014 0.000 0.277 69 L C -0.448 176.612 176.870 0.317 0.000 0.996 69 L CA 0.029 55.033 54.840 0.274 0.000 0.822 69 L CB 1.738 44.043 42.059 0.409 0.000 1.256 69 L HN 1.034 nan 8.230 nan 0.000 0.413 70 T N 0.181 114.833 114.554 0.162 0.000 2.907 70 T HA 0.581 4.923 4.350 -0.014 0.000 0.290 70 T C -0.097 174.695 174.700 0.153 0.000 1.066 70 T CA -0.641 61.569 62.100 0.183 0.000 1.012 70 T CB 1.532 70.500 68.868 0.166 0.000 1.184 70 T HN 0.596 nan 8.240 nan 0.000 0.522 71 T N 0.663 115.317 114.554 0.167 0.000 2.928 71 T HA 0.493 4.835 4.350 -0.014 0.000 0.284 71 T C -0.521 174.337 174.700 0.262 0.000 1.008 71 T CA -0.707 61.543 62.100 0.250 0.000 1.057 71 T CB 0.014 69.040 68.868 0.264 0.000 1.018 71 T HN 0.508 nan 8.240 nan 0.000 0.493 72 F N 3.424 123.541 119.950 0.278 0.000 2.629 72 F HA 0.329 4.848 4.527 -0.013 0.000 0.377 72 F C 1.449 177.368 175.800 0.198 0.000 1.101 72 F CA 1.795 59.950 58.000 0.258 0.000 1.301 72 F CB -0.226 38.927 39.000 0.255 0.000 1.062 72 F HN 0.895 nan 8.300 nan 0.000 0.583 73 G N 3.811 112.238 108.800 -0.621 0.000 5.206 73 G HA2 -0.395 3.557 3.960 -0.014 0.000 0.328 73 G HA3 -0.395 3.557 3.960 -0.014 0.000 0.328 73 G C 1.052 175.617 174.900 -0.558 0.000 1.382 73 G CA 1.231 45.794 45.100 -0.894 0.000 0.994 73 G HN 1.576 nan 8.290 nan 0.000 0.800 74 V N -0.001 119.688 119.914 -0.375 0.000 2.427 74 V HA 0.307 4.419 4.120 -0.014 0.000 0.248 74 V C 2.727 178.706 176.094 -0.191 0.000 1.051 74 V CA 2.649 64.766 62.300 -0.305 0.000 1.048 74 V CB -1.347 30.247 31.823 -0.382 0.000 0.666 74 V HN 1.540 nan 8.190 nan 0.000 0.456 75 G N 1.492 110.208 108.800 -0.139 0.000 2.404 75 G HA2 -0.198 3.754 3.960 -0.014 0.000 0.214 75 G HA3 -0.198 3.754 3.960 -0.014 0.000 0.214 75 G C 1.499 176.421 174.900 0.038 0.000 1.189 75 G CA 0.888 45.980 45.100 -0.012 0.000 0.789 75 G HN 0.776 nan 8.290 nan 0.000 0.533 76 E N 0.426 120.640 120.200 0.023 0.000 2.077 76 E HA -0.051 4.291 4.350 -0.014 0.000 0.193 76 E C 2.392 179.076 176.600 0.140 0.000 0.989 76 E CA 0.726 57.201 56.400 0.125 0.000 0.800 76 E CB -0.507 29.269 29.700 0.126 0.000 0.746 76 E HN 0.414 nan 8.360 nan 0.000 0.452 77 L N 1.223 122.423 121.223 -0.038 0.000 2.201 77 L HA -0.077 4.255 4.340 -0.014 0.000 0.212 77 L C 2.518 179.361 176.870 -0.045 0.000 1.105 77 L CA 0.902 55.694 54.840 -0.080 0.000 0.775 77 L CB -0.279 41.642 42.059 -0.229 0.000 0.913 77 L HN 0.166 nan 8.230 nan 0.000 0.440 78 S N 0.144 115.822 115.700 -0.038 0.000 2.399 78 S HA -0.106 4.356 4.470 -0.014 0.000 0.231 78 S C 1.978 176.567 174.600 -0.019 0.000 1.022 78 S CA 1.208 59.391 58.200 -0.029 0.000 0.983 78 S CB -0.103 63.080 63.200 -0.028 0.000 0.803 78 S HN 0.500 nan 8.310 nan 0.000 0.480 79 A N 0.406 123.257 122.820 0.051 0.000 2.218 79 A HA 0.311 4.622 4.320 -0.014 0.000 0.209 79 A C 1.796 179.442 177.584 0.103 0.000 1.168 79 A CA -0.008 52.071 52.037 0.070 0.000 0.804 79 A CB -0.430 18.756 19.000 0.310 0.000 0.834 79 A HN 0.501 nan 8.150 nan 0.000 0.482 80 I N -0.202 120.422 120.570 0.089 0.000 2.394 80 I HA -0.226 3.936 4.170 -0.014 0.000 0.251 80 I C 2.102 178.242 176.117 0.038 0.000 1.136 80 I CA 1.559 62.892 61.300 0.054 0.000 1.425 80 I CB -0.046 37.877 38.000 -0.128 0.000 1.079 80 I HN 0.429 nan 8.210 nan 0.000 0.425 81 N N 0.854 119.595 118.700 0.068 0.000 2.166 81 N HA -0.130 4.602 4.740 -0.014 0.000 0.186 81 N C 1.847 177.485 175.510 0.213 0.000 1.019 81 N CA 1.710 54.878 53.050 0.198 0.000 0.856 81 N CB -0.440 38.191 38.487 0.242 0.000 0.993 81 N HN 0.375 nan 8.380 nan 0.000 0.426 82 G N 0.283 109.127 108.800 0.074 0.000 2.421 82 G HA2 -0.194 3.758 3.960 -0.014 0.000 0.216 82 G HA3 -0.194 3.758 3.960 -0.014 0.000 0.216 82 G C 1.459 176.416 174.900 0.094 0.000 1.171 82 G CA 0.696 45.866 45.100 0.117 0.000 0.775 82 G HN 0.329 nan 8.290 nan 0.000 0.543 83 L N 1.198 122.491 121.223 0.117 0.000 2.083 83 L HA 0.133 4.465 4.340 -0.014 0.000 0.209 83 L C 3.177 180.041 176.870 -0.010 0.000 1.083 83 L CA 1.832 56.769 54.840 0.161 0.000 0.752 83 L CB -0.498 41.742 42.059 0.301 0.000 0.899 83 L HN 0.255 nan 8.230 nan 0.000 0.433 84 A N -0.707 122.014 122.820 -0.166 0.000 1.908 84 A HA -0.161 4.151 4.320 -0.014 0.000 0.218 84 A C 2.355 179.382 177.584 -0.928 0.000 1.181 84 A CA 1.744 53.479 52.037 -0.504 0.000 0.627 84 A CB -1.538 17.123 19.000 -0.565 0.000 0.818 84 A HN 0.495 nan 8.150 nan 0.000 0.445 85 G N -0.977 107.215 108.800 -1.013 0.000 2.422 85 G HA2 -0.131 3.821 3.960 -0.014 0.000 0.218 85 G HA3 -0.131 3.821 3.960 -0.014 0.000 0.218 85 G C 1.791 176.491 174.900 -0.334 0.000 1.146 85 G CA 1.272 45.816 45.100 -0.927 0.000 0.769 85 G HN 0.494 nan 8.290 nan 0.000 0.547 86 S N -0.565 115.055 115.700 -0.133 0.000 2.399 86 S HA -0.098 4.364 4.470 -0.014 0.000 0.231 86 S C 1.904 176.501 174.600 -0.004 0.000 1.022 86 S CA 0.969 59.168 58.200 -0.001 0.000 0.983 86 S CB -0.342 62.919 63.200 0.102 0.000 0.803 86 S HN 0.531 nan 8.310 nan 0.000 0.480 87 Y N 2.171 122.385 120.300 -0.142 0.000 2.153 87 Y HA -0.049 4.493 4.550 -0.014 0.000 0.289 87 Y C 2.470 178.308 175.900 -0.104 0.000 1.127 87 Y CA 1.032 59.066 58.100 -0.111 0.000 1.131 87 Y CB -0.729 37.648 38.460 -0.138 0.000 0.995 87 Y HN 0.215 nan 8.280 nan 0.000 0.505 88 A N 0.271 123.062 122.820 -0.047 0.000 1.892 88 A HA -0.227 4.084 4.320 -0.014 0.000 0.218 88 A C 1.861 179.460 177.584 0.025 0.000 1.188 88 A CA 2.170 54.193 52.037 -0.023 0.000 0.631 88 A CB -0.624 18.325 19.000 -0.086 0.000 0.822 88 A HN 0.641 nan 8.150 nan 0.000 0.447 89 E N -1.310 118.897 120.200 0.013 0.000 2.463 89 E HA 0.105 4.447 4.350 -0.014 0.000 0.193 89 E C -0.374 176.328 176.600 0.169 0.000 1.041 89 E CA -0.037 56.441 56.400 0.130 0.000 0.879 89 E CB -0.155 29.620 29.700 0.124 0.000 0.997 89 E HN 0.674 nan 8.360 nan 0.000 0.478 90 N N 0.843 119.564 118.700 0.034 0.000 2.726 90 N HA -0.168 4.564 4.740 -0.014 0.000 0.253 90 N C -1.607 173.900 175.510 -0.005 0.000 1.059 90 N CA -0.021 53.011 53.050 -0.029 0.000 0.701 90 N CB -0.641 37.851 38.487 0.009 0.000 0.899 90 N HN -0.008 nan 8.380 nan 0.000 0.548 91 L N 1.251 122.480 121.223 0.009 0.000 2.329 91 L HA 0.546 4.877 4.340 -0.014 0.000 0.279 91 L C -1.779 175.110 176.870 0.032 0.000 1.014 91 L CA -1.701 53.161 54.840 0.036 0.000 0.814 91 L CB 1.356 43.471 42.059 0.093 0.000 1.257 91 L HN 0.031 nan 8.230 nan 0.000 0.424 92 P HA 0.098 nan 4.420 nan 0.000 0.244 92 P C -0.801 176.558 177.300 0.099 0.000 1.769 92 P CA 0.020 63.132 63.100 0.020 0.000 1.102 92 P CB 0.256 31.934 31.700 -0.037 0.000 1.937 93 V N 4.071 124.066 119.914 0.136 0.000 2.459 93 V HA 0.251 4.363 4.120 -0.014 0.000 0.295 93 V C 0.432 176.627 176.094 0.168 0.000 1.029 93 V CA -0.822 61.601 62.300 0.205 0.000 0.874 93 V CB 2.415 34.412 31.823 0.290 0.000 0.985 93 V HN 0.100 nan 8.190 nan 0.000 0.438 94 V N 4.287 124.281 119.914 0.132 0.000 2.370 94 V HA 0.369 4.481 4.120 -0.014 0.000 0.279 94 V C 0.144 176.164 176.094 -0.124 0.000 1.029 94 V CA -0.496 61.825 62.300 0.035 0.000 0.870 94 V CB 1.402 33.245 31.823 0.033 0.000 0.984 94 V HN 0.951 nan 8.190 nan 0.000 0.451 95 E N 4.895 124.933 120.200 -0.269 0.000 2.174 95 E HA 0.521 4.863 4.350 -0.014 0.000 0.282 95 E C -1.088 175.214 176.600 -0.496 0.000 0.992 95 E CA -0.584 55.406 56.400 -0.684 0.000 0.803 95 E CB 1.114 30.377 29.700 -0.728 0.000 1.090 95 E HN 0.645 nan 8.360 nan 0.000 0.396 96 I N 4.548 124.861 120.570 -0.428 0.000 2.336 96 I HA 0.236 4.398 4.170 -0.014 0.000 0.292 96 I C -0.706 175.231 176.117 -0.298 0.000 0.991 96 I CA -0.956 60.155 61.300 -0.314 0.000 1.227 96 I CB 1.679 39.602 38.000 -0.128 0.000 1.366 96 I HN 0.259 nan 8.210 nan 0.000 0.466 97 V N 5.344 125.048 119.914 -0.350 0.000 2.378 97 V HA 0.445 4.557 4.120 -0.014 0.000 0.288 97 V C 0.675 176.727 176.094 -0.070 0.000 1.016 97 V CA -0.681 61.505 62.300 -0.192 0.000 0.840 97 V CB 1.340 33.008 31.823 -0.259 0.000 0.994 97 V HN 0.899 nan 8.190 nan 0.000 0.431 98 G N 3.603 112.428 108.800 0.043 0.000 2.364 98 G HA2 0.498 4.450 3.960 -0.014 0.000 0.267 98 G HA3 0.498 4.450 3.960 -0.014 0.000 0.267 98 G C 0.149 175.144 174.900 0.158 0.000 1.233 98 G CA 0.148 45.293 45.100 0.075 0.000 0.885 98 G HN 0.885 nan 8.290 nan 0.000 0.490 99 S N 2.822 118.517 115.700 -0.008 0.000 2.634 99 S HA 0.814 5.275 4.470 -0.014 0.000 0.296 99 S C -2.958 171.354 174.600 -0.481 0.000 1.104 99 S CA -1.613 56.436 58.200 -0.252 0.000 0.920 99 S CB 2.731 65.785 63.200 -0.244 0.000 1.111 99 S HN 0.316 nan 8.310 nan 0.000 0.493 100 P HA 0.163 nan 4.420 nan 0.000 0.271 100 P C 0.217 177.244 177.300 -0.455 0.000 1.244 100 P CA -0.141 62.522 63.100 -0.729 0.000 0.793 100 P CB -0.099 31.077 31.700 -0.873 0.000 0.984 101 T N -1.975 112.403 114.554 -0.293 0.000 2.906 101 T HA 0.001 4.343 4.350 -0.014 0.000 0.320 101 T C 1.230 175.745 174.700 -0.308 0.000 1.088 101 T CA 0.069 62.029 62.100 -0.233 0.000 1.120 101 T CB -0.329 68.451 68.868 -0.147 0.000 1.000 101 T HN 0.230 nan 8.240 nan 0.000 0.550 102 S N 1.269 116.823 115.700 -0.244 0.000 2.383 102 S HA -0.150 4.312 4.470 -0.014 0.000 0.229 102 S C 1.895 176.354 174.600 -0.235 0.000 1.030 102 S CA 1.509 59.563 58.200 -0.242 0.000 1.002 102 S CB -0.443 62.655 63.200 -0.169 0.000 0.829 102 S HN 0.874 nan 8.310 nan 0.000 0.467 103 K N 1.156 121.444 120.400 -0.187 0.000 2.026 103 K HA -0.075 4.237 4.320 -0.014 0.000 0.208 103 K C 1.946 178.435 176.600 -0.185 0.000 1.048 103 K CA 1.303 57.498 56.287 -0.153 0.000 0.929 103 K CB -0.293 32.142 32.500 -0.108 0.000 0.713 103 K HN 0.157 nan 8.250 nan 0.000 0.439 104 V N 1.754 121.529 119.914 -0.231 0.000 2.332 104 V HA -0.281 3.831 4.120 -0.014 0.000 0.248 104 V C 2.384 178.204 176.094 -0.456 0.000 1.055 104 V CA 1.928 64.072 62.300 -0.260 0.000 1.038 104 V CB -0.495 31.175 31.823 -0.256 0.000 0.651 104 V HN 0.450 nan 8.190 nan 0.000 0.450 105 Q N -0.334 119.019 119.800 -0.745 0.000 2.079 105 Q HA -0.176 4.155 4.340 -0.014 0.000 0.200 105 Q C 2.186 177.945 176.000 -0.401 0.000 0.974 105 Q CA 1.481 56.623 55.803 -1.102 0.000 0.840 105 Q CB -0.289 27.850 28.738 -0.999 0.000 0.898 105 Q HN 0.621 nan 8.270 nan 0.000 0.430 106 N N 0.976 119.521 118.700 -0.259 0.000 2.244 106 N HA -0.118 4.613 4.740 -0.014 0.000 0.183 106 N C 0.941 176.414 175.510 -0.061 0.000 1.016 106 N CA 1.107 54.083 53.050 -0.123 0.000 0.866 106 N CB -0.144 38.277 38.487 -0.111 0.000 0.980 106 N HN 0.216 nan 8.380 nan 0.000 0.430 107 D N -0.118 120.242 120.400 -0.068 0.000 2.363 107 D HA 0.069 4.701 4.640 -0.014 0.000 0.220 107 D C 0.941 177.269 176.300 0.046 0.000 0.994 107 D CA 0.443 54.430 54.000 -0.021 0.000 0.890 107 D CB -0.280 40.498 40.800 -0.036 0.000 0.906 107 D HN 0.297 nan 8.370 nan 0.000 0.530 108 G N 1.565 110.444 108.800 0.130 0.000 2.273 108 G HA2 -0.342 3.610 3.960 -0.014 0.000 0.280 108 G HA3 -0.342 3.610 3.960 -0.014 0.000 0.280 108 G C 0.118 175.228 174.900 0.350 0.000 1.047 108 G CA 0.047 45.332 45.100 0.308 0.000 0.869 108 G HN 0.281 nan 8.290 nan 0.000 0.502 109 K N -0.600 119.995 120.400 0.325 0.000 2.295 109 K HA 0.290 4.602 4.320 -0.014 0.000 0.270 109 K C 0.130 177.024 176.600 0.490 0.000 1.011 109 K CA -0.448 55.999 56.287 0.267 0.000 0.953 109 K CB 0.421 33.016 32.500 0.159 0.000 0.956 109 K HN 0.036 nan 8.250 nan 0.000 0.477 110 F N 3.071 123.087 119.950 0.111 0.000 2.661 110 F HA 0.050 4.569 4.527 -0.013 0.000 0.356 110 F C 0.603 176.473 175.800 0.117 0.000 1.244 110 F CA -1.052 57.001 58.000 0.088 0.000 1.290 110 F CB -0.984 38.056 39.000 0.066 0.000 1.677 110 F HN 0.128 nan 8.300 nan 0.000 0.649 111 V N -0.170 119.932 119.914 0.313 0.000 2.973 111 V HA 0.445 4.557 4.120 -0.014 0.000 0.314 111 V C 0.617 176.834 176.094 0.206 0.000 1.066 111 V CA -0.993 61.458 62.300 0.252 0.000 1.021 111 V CB 1.148 33.099 31.823 0.214 0.000 1.076 111 V HN 0.597 nan 8.190 nan 0.000 0.462 112 H N 1.815 120.985 119.070 0.167 0.000 2.929 112 H HA 0.119 4.666 4.556 -0.014 0.000 0.358 112 H C 0.242 175.663 175.328 0.155 0.000 1.111 112 H CA 0.894 56.972 56.048 0.050 0.000 1.409 112 H CB -0.205 29.449 29.762 -0.180 0.000 1.373 112 H HN 1.029 nan 8.280 nan 0.000 0.610 113 H N -1.181 118.103 119.070 0.356 0.000 2.936 113 H HA -0.177 4.370 4.556 -0.013 0.000 0.276 113 H C 0.292 175.866 175.328 0.410 0.000 1.216 113 H CA 1.082 57.336 56.048 0.343 0.000 1.132 113 H CB -2.471 27.572 29.762 0.469 0.000 1.303 113 H HN 0.999 nan 8.280 nan 0.000 0.370 114 T N -3.219 111.569 114.554 0.389 0.000 2.888 114 T HA 0.681 5.023 4.350 -0.014 0.000 0.288 114 T C 1.180 175.975 174.700 0.157 0.000 1.063 114 T CA -0.964 61.315 62.100 0.297 0.000 1.010 114 T CB 1.575 70.454 68.868 0.018 0.000 1.214 114 T HN 0.075 nan 8.240 nan 0.000 0.533 115 L N 1.059 122.325 121.223 0.072 0.000 2.629 115 L HA 0.435 4.767 4.340 -0.014 0.000 0.230 115 L C 1.628 178.380 176.870 -0.197 0.000 1.151 115 L CA 0.091 54.919 54.840 -0.019 0.000 0.924 115 L CB -0.940 41.112 42.059 -0.010 0.000 1.137 115 L HN 1.103 nan 8.230 nan 0.000 0.457 116 A N 1.900 124.527 122.820 -0.322 0.000 2.739 116 A HA -0.226 4.086 4.320 -0.014 0.000 0.296 116 A C 0.763 177.667 177.584 -1.133 0.000 1.488 116 A CA 1.171 52.699 52.037 -0.848 0.000 0.746 116 A CB -1.775 16.797 19.000 -0.714 0.000 1.047 116 A HN 0.746 nan 8.150 nan 0.000 0.477 117 D N -2.080 117.982 120.400 -0.563 0.000 2.527 117 D HA 0.389 5.020 4.640 -0.014 0.000 0.224 117 D C 1.215 177.497 176.300 -0.031 0.000 1.217 117 D CA 0.711 54.561 54.000 -0.250 0.000 0.819 117 D CB -0.620 40.122 40.800 -0.096 0.000 1.061 117 D HN 1.733 nan 8.370 nan 0.000 0.515 118 G N 0.765 109.558 108.800 -0.011 0.000 2.168 118 G HA2 -0.277 3.675 3.960 -0.014 0.000 0.263 118 G HA3 -0.277 3.675 3.960 -0.014 0.000 0.263 118 G C -0.296 174.584 174.900 -0.033 0.000 0.977 118 G CA 0.401 45.573 45.100 0.120 0.000 0.659 118 G HN 0.559 nan 8.290 nan 0.000 0.533 119 D N -0.573 119.654 120.400 -0.289 0.000 2.349 119 D HA 0.549 5.180 4.640 -0.014 0.000 0.232 119 D C 0.409 176.393 176.300 -0.527 0.000 1.071 119 D CA -0.820 52.976 54.000 -0.340 0.000 0.832 119 D CB 0.250 40.740 40.800 -0.515 0.000 1.086 119 D HN 0.050 nan 8.370 nan 0.000 0.504 120 F N 2.413 122.254 119.950 -0.181 0.000 2.647 120 F HA 0.217 4.736 4.527 -0.013 0.000 0.300 120 F C 1.780 177.571 175.800 -0.015 0.000 1.106 120 F CA -0.314 57.662 58.000 -0.041 0.000 1.313 120 F CB 0.652 39.543 39.000 -0.180 0.000 1.007 120 F HN 0.129 nan 8.300 nan 0.000 0.536 121 K N -0.983 119.352 120.400 -0.108 0.000 2.373 121 K HA 0.146 4.458 4.320 -0.014 0.000 0.200 121 K C 1.263 177.769 176.600 -0.156 0.000 1.054 121 K CA 0.158 56.397 56.287 -0.080 0.000 1.065 121 K CB -0.117 32.331 32.500 -0.086 0.000 0.886 121 K HN 0.280 nan 8.250 nan 0.000 0.546 122 H N 0.654 119.540 119.070 -0.307 0.000 2.352 122 H HA -0.077 4.471 4.556 -0.013 0.000 0.299 122 H C 1.695 176.913 175.328 -0.185 0.000 1.097 122 H CA 1.395 57.236 56.048 -0.344 0.000 1.311 122 H CB -0.164 29.241 29.762 -0.595 0.000 1.377 122 H HN 0.109 nan 8.280 nan 0.000 0.504 123 F N -0.124 119.909 119.950 0.138 0.000 2.293 123 F HA -0.009 4.510 4.527 -0.013 0.000 0.297 123 F C 2.767 178.655 175.800 0.148 0.000 1.089 123 F CA 0.340 58.393 58.000 0.089 0.000 1.377 123 F CB -0.766 38.199 39.000 -0.058 0.000 1.051 123 F HN 0.044 nan 8.300 nan 0.000 0.511 124 M N 0.494 120.214 119.600 0.200 0.000 2.132 124 M HA -0.210 4.262 4.480 -0.014 0.000 0.263 124 M C 2.361 178.609 176.300 -0.088 0.000 1.065 124 M CA 1.692 56.941 55.300 -0.085 0.000 1.122 124 M CB -0.169 32.446 32.600 0.024 0.000 1.365 124 M HN 0.096 nan 8.290 nan 0.000 0.411 125 K N 0.277 120.677 120.400 -0.000 0.000 2.057 125 K HA -0.175 4.137 4.320 -0.014 0.000 0.207 125 K C 1.755 178.347 176.600 -0.013 0.000 1.049 125 K CA 1.845 58.126 56.287 -0.010 0.000 0.931 125 K CB -0.158 32.349 32.500 0.013 0.000 0.714 125 K HN 0.403 nan 8.250 nan 0.000 0.440 126 M N -0.312 119.306 119.600 0.030 0.000 2.346 126 M HA -0.155 4.317 4.480 -0.014 0.000 0.263 126 M C 1.234 177.443 176.300 -0.152 0.000 1.064 126 M CA 1.449 56.731 55.300 -0.030 0.000 1.083 126 M CB -0.184 32.430 32.600 0.022 0.000 1.399 126 M HN 0.235 nan 8.290 nan 0.000 0.435 127 H N -0.466 118.499 119.070 -0.174 0.000 2.551 127 H HA 0.029 4.577 4.556 -0.013 0.000 0.266 127 H C 1.642 176.828 175.328 -0.238 0.000 0.977 127 H CA 0.580 56.484 56.048 -0.241 0.000 1.163 127 H CB 0.041 29.520 29.762 -0.472 0.000 1.381 127 H HN 0.420 nan 8.280 nan 0.000 0.581 128 E N 0.342 120.476 120.200 -0.110 0.000 2.070 128 E HA -0.157 4.185 4.350 -0.014 0.000 0.197 128 E C -0.609 175.887 176.600 -0.172 0.000 1.004 128 E CA 1.333 57.664 56.400 -0.116 0.000 0.805 128 E CB -0.671 28.980 29.700 -0.082 0.000 0.744 128 E HN 0.481 nan 8.360 nan 0.000 0.451 129 P HA -0.074 nan 4.420 nan 0.000 0.237 129 P C 0.600 177.552 177.300 -0.580 0.000 1.178 129 P CA 0.862 63.790 63.100 -0.287 0.000 0.766 129 P CB 0.190 31.774 31.700 -0.193 0.000 0.876 130 V N -4.743 114.850 119.914 -0.534 0.000 3.070 130 V HA 0.364 4.476 4.120 -0.014 0.000 0.345 130 V C -0.035 175.854 176.094 -0.342 0.000 1.403 130 V CA -0.078 61.819 62.300 -0.671 0.000 1.155 130 V CB -0.473 31.152 31.823 -0.330 0.000 1.140 130 V HN 0.070 nan 8.190 nan 0.000 0.505 131 T N -3.181 111.219 114.554 -0.257 0.000 2.912 131 T HA 0.804 5.146 4.350 -0.014 0.000 0.299 131 T C 0.748 175.555 174.700 0.179 0.000 1.052 131 T CA 0.159 62.312 62.100 0.087 0.000 0.996 131 T CB 2.033 70.942 68.868 0.067 0.000 1.070 131 T HN 0.420 nan 8.240 nan 0.000 0.465 132 A N 1.645 124.636 122.820 0.284 0.000 2.016 132 A HA 0.694 5.006 4.320 -0.014 0.000 0.217 132 A C 1.209 178.865 177.584 0.120 0.000 1.162 132 A CA 0.827 52.995 52.037 0.218 0.000 0.662 132 A CB -0.568 18.523 19.000 0.151 0.000 0.812 132 A HN 1.710 nan 8.150 nan 0.000 0.450 133 A N -0.654 122.230 122.820 0.105 0.000 2.605 133 A HA 0.668 4.980 4.320 -0.014 0.000 0.294 133 A C -0.669 176.971 177.584 0.092 0.000 1.062 133 A CA -0.561 51.525 52.037 0.080 0.000 0.682 133 A CB 0.978 20.024 19.000 0.077 0.000 1.278 133 A HN 0.708 nan 8.150 nan 0.000 0.410 134 R N -0.113 120.436 120.500 0.081 0.000 2.680 134 R HA 0.866 5.198 4.340 -0.014 0.000 0.269 134 R C -1.569 174.804 176.300 0.122 0.000 1.026 134 R CA -0.388 55.790 56.100 0.130 0.000 0.889 134 R CB 1.780 32.084 30.300 0.005 0.000 1.241 134 R HN 0.882 nan 8.270 nan 0.000 0.463 135 T N 1.593 116.251 114.554 0.173 0.000 2.956 135 T HA 0.373 4.715 4.350 -0.014 0.000 0.312 135 T C -1.600 173.166 174.700 0.110 0.000 1.151 135 T CA -0.761 61.401 62.100 0.104 0.000 1.024 135 T CB 1.585 70.488 68.868 0.058 0.000 1.140 135 T HN 0.554 nan 8.240 nan 0.000 0.473 136 L N 6.007 127.273 121.223 0.072 0.000 2.277 136 L HA 0.570 4.902 4.340 -0.014 0.000 0.284 136 L C -0.455 176.407 176.870 -0.013 0.000 1.028 136 L CA -0.833 54.030 54.840 0.039 0.000 0.835 136 L CB 0.424 42.514 42.059 0.051 0.000 1.215 136 L HN 0.641 nan 8.230 nan 0.000 0.425 137 L N 3.977 125.170 121.223 -0.051 0.000 2.426 137 L HA 0.280 4.612 4.340 -0.014 0.000 0.271 137 L C 0.766 177.583 176.870 -0.088 0.000 1.169 137 L CA -0.032 54.761 54.840 -0.077 0.000 0.836 137 L CB 1.044 43.034 42.059 -0.116 0.000 1.112 137 L HN 0.606 nan 8.230 nan 0.000 0.465 138 T N -1.178 113.326 114.554 -0.084 0.000 2.942 138 T HA 0.540 4.882 4.350 -0.014 0.000 0.289 138 T C 0.866 175.501 174.700 -0.109 0.000 1.044 138 T CA -0.228 61.818 62.100 -0.089 0.000 1.023 138 T CB 1.873 70.704 68.868 -0.063 0.000 1.123 138 T HN 0.568 nan 8.240 nan 0.000 0.512 139 A N 0.807 123.564 122.820 -0.105 0.000 1.972 139 A HA -0.062 4.250 4.320 -0.014 0.000 0.219 139 A C 2.124 179.635 177.584 -0.122 0.000 1.169 139 A CA 1.444 53.413 52.037 -0.113 0.000 0.635 139 A CB -0.678 18.267 19.000 -0.092 0.000 0.810 139 A HN 0.916 nan 8.150 nan 0.000 0.446 140 E N 0.363 120.509 120.200 -0.089 0.000 2.385 140 E HA -0.101 4.241 4.350 -0.014 0.000 0.194 140 E C 1.017 177.574 176.600 -0.071 0.000 1.013 140 E CA 1.045 57.405 56.400 -0.067 0.000 0.866 140 E CB -0.782 28.910 29.700 -0.013 0.000 0.832 140 E HN 1.000 nan 8.360 nan 0.000 0.500 141 N N 0.204 118.858 118.700 -0.077 0.000 2.184 141 N HA 0.249 4.981 4.740 -0.014 0.000 0.206 141 N C 1.670 177.065 175.510 -0.192 0.000 1.151 141 N CA 0.427 53.462 53.050 -0.025 0.000 0.878 141 N CB 0.393 38.932 38.487 0.087 0.000 1.014 141 N HN 0.045 nan 8.380 nan 0.000 0.512 142 A N 1.863 124.520 122.820 -0.272 0.000 1.865 142 A HA -0.228 4.084 4.320 -0.014 0.000 0.217 142 A C 2.501 179.881 177.584 -0.340 0.000 1.191 142 A CA 2.498 54.379 52.037 -0.260 0.000 0.623 142 A CB -1.440 17.407 19.000 -0.254 0.000 0.826 142 A HN 0.582 nan 8.150 nan 0.000 0.444 143 T N -3.113 111.085 114.554 -0.593 0.000 2.777 143 T HA -0.180 4.162 4.350 -0.014 0.000 0.266 143 T C 1.785 176.328 174.700 -0.262 0.000 1.040 143 T CA 1.531 63.197 62.100 -0.725 0.000 1.141 143 T CB -0.684 67.567 68.868 -1.028 0.000 0.868 143 T HN 0.429 nan 8.240 nan 0.000 0.444 144 Y N 2.251 122.492 120.300 -0.099 0.000 2.128 144 Y HA 0.017 4.559 4.550 -0.014 0.000 0.284 144 Y C 2.830 178.730 175.900 -0.000 0.000 1.154 144 Y CA 0.618 58.703 58.100 -0.024 0.000 1.149 144 Y CB -0.882 37.562 38.460 -0.026 0.000 0.976 144 Y HN 0.240 nan 8.280 nan 0.000 0.505 145 E N 0.060 120.330 120.200 0.115 0.000 2.072 145 E HA -0.094 4.248 4.350 -0.014 0.000 0.190 145 E C 2.406 179.045 176.600 0.065 0.000 0.982 145 E CA 0.736 57.182 56.400 0.078 0.000 0.803 145 E CB -0.422 29.301 29.700 0.037 0.000 0.755 145 E HN 0.487 nan 8.360 nan 0.000 0.453 146 I N 1.778 122.376 120.570 0.048 0.000 2.163 146 I HA -0.297 3.865 4.170 -0.014 0.000 0.243 146 I C 1.859 178.056 176.117 0.133 0.000 1.085 146 I CA 1.385 62.739 61.300 0.091 0.000 1.347 146 I CB -0.203 37.886 38.000 0.148 0.000 1.044 146 I HN -0.038 nan 8.210 nan 0.000 0.408 147 D N 0.097 120.601 120.400 0.174 0.000 2.144 147 D HA -0.170 4.462 4.640 -0.014 0.000 0.200 147 D C 2.158 178.530 176.300 0.120 0.000 0.978 147 D CA 0.863 54.964 54.000 0.168 0.000 0.833 147 D CB -0.297 40.628 40.800 0.209 0.000 0.961 147 D HN 0.254 nan 8.370 nan 0.000 0.470 148 R N 0.669 121.236 120.500 0.111 0.000 2.073 148 R HA -0.107 4.225 4.340 -0.014 0.000 0.234 148 R C 1.972 178.317 176.300 0.076 0.000 1.134 148 R CA 1.176 57.328 56.100 0.087 0.000 0.952 148 R CB -0.208 30.141 30.300 0.081 0.000 0.850 148 R HN 0.023 nan 8.270 nan 0.000 0.433 149 V N 1.224 121.184 119.914 0.076 0.000 2.453 149 V HA -0.176 3.936 4.120 -0.014 0.000 0.247 149 V C 2.305 178.439 176.094 0.068 0.000 1.048 149 V CA 1.385 63.727 62.300 0.071 0.000 1.049 149 V CB -0.296 31.570 31.823 0.071 0.000 0.672 149 V HN 0.336 nan 8.190 nan 0.000 0.457 150 L N -0.391 120.874 121.223 0.071 0.000 2.217 150 L HA -0.082 4.250 4.340 -0.014 0.000 0.211 150 L C 2.550 179.454 176.870 0.057 0.000 1.107 150 L CA 1.081 55.959 54.840 0.064 0.000 0.783 150 L CB -0.530 41.571 42.059 0.070 0.000 0.919 150 L HN 0.289 nan 8.230 nan 0.000 0.442 151 S N -0.513 115.225 115.700 0.064 0.000 2.383 151 S HA -0.219 4.243 4.470 -0.014 0.000 0.227 151 S C 1.897 176.528 174.600 0.051 0.000 1.026 151 S CA 1.065 59.300 58.200 0.058 0.000 0.981 151 S CB -0.088 63.150 63.200 0.063 0.000 0.818 151 S HN 0.333 nan 8.310 nan 0.000 0.472 152 Q N 1.246 121.077 119.800 0.052 0.000 2.119 152 Q HA 0.080 4.412 4.340 -0.014 0.000 0.201 152 Q C 1.977 177.997 176.000 0.034 0.000 0.972 152 Q CA 1.003 56.835 55.803 0.047 0.000 0.847 152 Q CB -0.455 28.316 28.738 0.054 0.000 0.903 152 Q HN 0.560 nan 8.270 nan 0.000 0.433 153 L N -0.695 120.547 121.223 0.032 0.000 2.046 153 L HA -0.147 4.184 4.340 -0.014 0.000 0.208 153 L C 1.862 178.713 176.870 -0.031 0.000 1.077 153 L CA 1.258 56.103 54.840 0.008 0.000 0.747 153 L CB -0.154 41.920 42.059 0.026 0.000 0.896 153 L HN 0.298 nan 8.230 nan 0.000 0.432 154 L N -0.280 120.941 121.223 -0.003 0.000 2.093 154 L HA -0.214 4.118 4.340 -0.014 0.000 0.208 154 L C 2.647 179.535 176.870 0.031 0.000 1.085 154 L CA 1.449 56.286 54.840 -0.004 0.000 0.755 154 L CB -0.456 41.624 42.059 0.035 0.000 0.904 154 L HN 0.305 nan 8.230 nan 0.000 0.435 155 K N 0.274 120.709 120.400 0.057 0.000 2.062 155 K HA -0.141 4.171 4.320 -0.014 0.000 0.205 155 K C 1.644 178.338 176.600 0.157 0.000 1.051 155 K CA 1.427 57.782 56.287 0.114 0.000 0.941 155 K CB 0.205 32.749 32.500 0.073 0.000 0.719 155 K HN 0.334 nan 8.250 nan 0.000 0.440 156 E N -0.714 119.512 120.200 0.043 0.000 2.413 156 E HA 0.108 4.450 4.350 -0.014 0.000 0.203 156 E C -0.240 176.278 176.600 -0.137 0.000 0.957 156 E CA -0.220 56.188 56.400 0.015 0.000 0.950 156 E CB 0.770 30.460 29.700 -0.016 0.000 0.957 156 E HN 0.136 nan 8.360 nan 0.000 0.497 157 R N 0.854 121.209 120.500 -0.241 0.000 3.770 157 R HA -0.151 4.181 4.340 -0.014 0.000 0.305 157 R C -0.520 175.676 176.300 -0.174 0.000 1.184 157 R CA 0.838 56.748 56.100 -0.317 0.000 0.823 157 R CB -2.423 27.477 30.300 -0.667 0.000 1.285 157 R HN 0.210 nan 8.270 nan 0.000 0.499 158 K N 0.971 121.299 120.400 -0.119 0.000 2.139 158 K HA 0.442 4.754 4.320 -0.014 0.000 0.243 158 K C -2.107 174.507 176.600 0.022 0.000 0.983 158 K CA -1.907 54.320 56.287 -0.100 0.000 0.890 158 K CB 1.062 33.441 32.500 -0.201 0.000 1.090 158 K HN -0.172 nan 8.250 nan 0.000 0.445 159 P HA 0.015 nan 4.420 nan 0.000 0.271 159 P C -0.722 176.680 177.300 0.169 0.000 1.218 159 P CA -0.294 62.900 63.100 0.157 0.000 0.780 159 P CB 0.805 32.631 31.700 0.210 0.000 0.901 160 V N 0.488 120.486 119.914 0.141 0.000 3.126 160 V HA 0.685 4.797 4.120 -0.014 0.000 0.314 160 V C -1.515 174.670 176.094 0.152 0.000 1.138 160 V CA -1.181 61.203 62.300 0.140 0.000 1.034 160 V CB 2.226 34.110 31.823 0.101 0.000 1.075 160 V HN 0.567 nan 8.190 nan 0.000 0.442 161 Y N 1.339 121.625 120.300 -0.024 0.000 2.386 161 Y HA 0.803 5.345 4.550 -0.014 0.000 0.334 161 Y C -1.185 174.666 175.900 -0.082 0.000 1.002 161 Y CA -0.911 57.135 58.100 -0.090 0.000 1.068 161 Y CB 1.875 40.261 38.460 -0.123 0.000 1.203 161 Y HN 0.750 nan 8.280 nan 0.000 0.443 162 I N 6.253 126.634 120.570 -0.315 0.000 2.439 162 I HA 0.253 4.415 4.170 -0.014 0.000 0.283 162 I C -0.939 174.927 176.117 -0.418 0.000 1.023 162 I CA -0.639 60.517 61.300 -0.241 0.000 1.100 162 I CB 1.746 39.645 38.000 -0.170 0.000 1.238 162 I HN 0.660 nan 8.210 nan 0.000 0.445 163 N N 6.374 124.908 118.700 -0.276 0.000 2.419 163 N HA 0.437 5.169 4.740 -0.014 0.000 0.264 163 N C -1.194 174.221 175.510 -0.158 0.000 1.031 163 N CA -0.533 52.399 53.050 -0.197 0.000 0.951 163 N CB 0.960 39.466 38.487 0.031 0.000 1.101 163 N HN 0.439 nan 8.380 nan 0.000 0.488 164 L N 6.351 127.458 121.223 -0.193 0.000 2.366 164 L HA 0.598 4.930 4.340 -0.014 0.000 0.266 164 L C -2.584 174.172 176.870 -0.190 0.000 1.010 164 L CA -2.182 52.517 54.840 -0.235 0.000 0.879 164 L CB 1.202 43.026 42.059 -0.391 0.000 1.228 164 L HN 0.534 nan 8.230 nan 0.000 0.439 165 P HA 0.079 nan 4.420 nan 0.000 0.269 165 P C 1.132 178.344 177.300 -0.148 0.000 1.209 165 P CA -0.222 62.768 63.100 -0.183 0.000 0.776 165 P CB 0.932 32.512 31.700 -0.199 0.000 0.876 166 V N 2.672 122.517 119.914 -0.114 0.000 2.278 166 V HA -0.291 3.821 4.120 -0.014 0.000 0.251 166 V C 1.989 178.041 176.094 -0.069 0.000 1.062 166 V CA 2.597 64.863 62.300 -0.057 0.000 1.038 166 V CB -1.147 30.670 31.823 -0.009 0.000 0.646 166 V HN 0.696 nan 8.190 nan 0.000 0.447 167 D N -0.158 120.189 120.400 -0.088 0.000 2.224 167 D HA -0.109 4.523 4.640 -0.014 0.000 0.205 167 D C 2.005 178.251 176.300 -0.091 0.000 0.965 167 D CA 1.209 55.161 54.000 -0.081 0.000 0.852 167 D CB -0.384 40.365 40.800 -0.086 0.000 0.947 167 D HN 0.377 nan 8.370 nan 0.000 0.494 168 V N 1.668 121.514 119.914 -0.114 0.000 2.358 168 V HA -0.157 3.955 4.120 -0.014 0.000 0.246 168 V C 2.955 178.972 176.094 -0.129 0.000 1.047 168 V CA 1.662 63.887 62.300 -0.125 0.000 1.035 168 V CB -0.886 30.852 31.823 -0.143 0.000 0.658 168 V HN 0.346 nan 8.190 nan 0.000 0.452 169 A N -0.012 122.726 122.820 -0.137 0.000 1.978 169 A HA -0.073 4.239 4.320 -0.014 0.000 0.220 169 A C 2.187 179.731 177.584 -0.066 0.000 1.170 169 A CA 1.979 53.940 52.037 -0.127 0.000 0.636 169 A CB -0.504 18.417 19.000 -0.131 0.000 0.810 169 A HN 0.605 nan 8.150 nan 0.000 0.448 170 A N -1.097 121.690 122.820 -0.056 0.000 2.275 170 A HA 0.638 4.950 4.320 -0.014 0.000 0.212 170 A C 1.214 178.766 177.584 -0.052 0.000 1.201 170 A CA 0.628 52.639 52.037 -0.043 0.000 0.843 170 A CB -0.663 18.318 19.000 -0.031 0.000 0.873 170 A HN 0.879 nan 8.150 nan 0.000 0.492 171 A N 0.684 123.462 122.820 -0.069 0.000 2.386 171 A HA 0.470 4.782 4.320 -0.014 0.000 0.248 171 A C 0.215 177.763 177.584 -0.060 0.000 1.082 171 A CA -0.409 51.588 52.037 -0.067 0.000 0.789 171 A CB 0.257 19.206 19.000 -0.085 0.000 1.025 171 A HN 0.230 nan 8.150 nan 0.000 0.490 172 K N 0.185 120.560 120.400 -0.040 0.000 2.436 172 K HA 0.456 4.768 4.320 -0.014 0.000 0.275 172 K C 0.101 176.692 176.600 -0.015 0.000 0.999 172 K CA 0.646 56.927 56.287 -0.011 0.000 0.980 172 K CB 0.815 33.316 32.500 0.002 0.000 0.919 172 K HN 0.857 nan 8.250 nan 0.000 0.484 173 A N 2.285 125.142 122.820 0.062 0.000 2.569 173 A HA 0.539 4.850 4.320 -0.014 0.000 0.290 173 A C -1.060 176.695 177.584 0.284 0.000 1.136 173 A CA -0.748 51.351 52.037 0.103 0.000 0.710 173 A CB 1.331 20.369 19.000 0.063 0.000 1.303 173 A HN 0.565 nan 8.150 nan 0.000 0.413 174 E N 1.167 121.487 120.200 0.201 0.000 2.195 174 E HA 0.298 4.640 4.350 -0.014 0.000 0.271 174 E C -0.794 175.897 176.600 0.151 0.000 0.923 174 E CA -0.716 55.754 56.400 0.117 0.000 0.790 174 E CB 1.617 31.345 29.700 0.046 0.000 1.155 174 E HN 0.541 nan 8.360 nan 0.000 0.402 175 K N 2.411 122.655 120.400 -0.259 0.000 2.469 175 K HA 0.081 4.393 4.320 -0.014 0.000 0.274 175 K C -2.049 174.576 176.600 0.043 0.000 0.983 175 K CA -1.020 55.091 56.287 -0.294 0.000 0.974 175 K CB -0.281 31.936 32.500 -0.473 0.000 0.913 175 K HN 0.208 nan 8.250 nan 0.000 0.493 176 P HA -0.041 nan 4.420 nan 0.000 0.267 176 P C -0.346 176.986 177.300 0.053 0.000 1.205 176 P CA 0.188 63.348 63.100 0.100 0.000 0.765 176 P CB 1.059 32.683 31.700 -0.126 0.000 0.828 177 A N 4.462 127.337 122.820 0.091 0.000 1.975 177 A HA 0.098 4.410 4.320 -0.014 0.000 0.215 177 A C 0.994 178.606 177.584 0.047 0.000 1.170 177 A CA 0.903 52.974 52.037 0.056 0.000 0.656 177 A CB -0.290 18.750 19.000 0.067 0.000 0.821 177 A HN 0.529 nan 8.150 nan 0.000 0.449 178 L N -0.332 120.928 121.223 0.061 0.000 2.341 178 L HA 0.406 4.737 4.340 -0.014 0.000 0.267 178 L C -0.251 176.643 176.870 0.041 0.000 1.009 178 L CA -0.759 54.111 54.840 0.050 0.000 0.819 178 L CB 2.205 44.301 42.059 0.061 0.000 1.323 178 L HN -0.013 nan 8.230 nan 0.000 0.425 179 S N 1.514 117.233 115.700 0.031 0.000 2.592 179 S HA 0.481 4.942 4.470 -0.014 0.000 0.271 179 S C -0.086 174.535 174.600 0.035 0.000 1.326 179 S CA -0.645 57.569 58.200 0.025 0.000 1.024 179 S CB 0.732 63.944 63.200 0.021 0.000 0.921 179 S HN 0.273 nan 8.310 nan 0.000 0.527 180 L N 2.039 123.281 121.223 0.032 0.000 2.452 180 L HA 0.272 4.604 4.340 -0.014 0.000 0.267 180 L C 1.121 178.014 176.870 0.037 0.000 1.188 180 L CA -0.160 54.705 54.840 0.041 0.000 0.821 180 L CB 0.220 42.303 42.059 0.040 0.000 1.102 180 L HN 0.629 nan 8.230 nan 0.000 0.470 189 T N -0.371 114.195 114.554 0.020 0.000 2.833 189 T HA -0.085 4.256 4.350 -0.014 0.000 0.269 189 T C 1.266 175.975 174.700 0.014 0.000 1.054 189 T CA 2.291 64.400 62.100 0.015 0.000 1.135 189 T CB -0.577 68.299 68.868 0.014 0.000 0.869 189 T HN 0.668 nan 8.240 nan 0.000 0.466 190 T N 1.972 116.543 114.554 0.028 0.000 2.746 190 T HA -0.104 4.238 4.350 -0.014 0.000 0.267 190 T C 1.931 176.633 174.700 0.003 0.000 1.039 190 T CA 1.267 63.384 62.100 0.029 0.000 1.142 190 T CB -0.234 68.679 68.868 0.075 0.000 0.866 190 T HN 0.555 nan 8.240 nan 0.000 0.444 191 E N 0.607 120.822 120.200 0.025 0.000 2.072 191 E HA -0.116 4.225 4.350 -0.014 0.000 0.191 191 E C 2.666 179.246 176.600 -0.033 0.000 0.985 191 E CA 0.710 57.110 56.400 -0.000 0.000 0.801 191 E CB -0.041 29.680 29.700 0.035 0.000 0.750 191 E HN 0.361 nan 8.360 nan 0.000 0.452 192 Q N 0.350 120.139 119.800 -0.018 0.000 2.084 192 Q HA -0.128 4.204 4.340 -0.014 0.000 0.202 192 Q C 2.455 178.439 176.000 -0.027 0.000 0.978 192 Q CA 1.000 56.790 55.803 -0.021 0.000 0.844 192 Q CB -0.343 28.389 28.738 -0.010 0.000 0.898 192 Q HN 0.222 nan 8.270 nan 0.000 0.426 193 V N 1.215 121.115 119.914 -0.024 0.000 2.295 193 V HA -0.246 3.866 4.120 -0.014 0.000 0.246 193 V C 2.364 178.432 176.094 -0.044 0.000 1.049 193 V CA 1.408 63.693 62.300 -0.024 0.000 1.024 193 V CB -0.541 31.273 31.823 -0.015 0.000 0.648 193 V HN 0.254 nan 8.190 nan 0.000 0.447 194 I N -0.487 120.034 120.570 -0.082 0.000 2.127 194 I HA -0.291 3.871 4.170 -0.014 0.000 0.241 194 I C 2.360 178.418 176.117 -0.098 0.000 1.075 194 I CA 1.728 62.951 61.300 -0.129 0.000 1.334 194 I CB -0.352 37.502 38.000 -0.242 0.000 1.040 194 I HN 0.249 nan 8.210 nan 0.000 0.405 195 L N -0.189 120.981 121.223 -0.088 0.000 2.046 195 L HA -0.222 4.110 4.340 -0.014 0.000 0.208 195 L C 2.685 179.529 176.870 -0.043 0.000 1.077 195 L CA 1.312 56.108 54.840 -0.073 0.000 0.747 195 L CB -0.535 41.482 42.059 -0.070 0.000 0.896 195 L HN 0.186 nan 8.230 nan 0.000 0.432 196 S N -0.505 115.175 115.700 -0.032 0.000 2.368 196 S HA -0.207 4.255 4.470 -0.014 0.000 0.225 196 S C 1.966 176.558 174.600 -0.014 0.000 1.030 196 S CA 1.346 59.535 58.200 -0.018 0.000 0.999 196 S CB -0.147 63.045 63.200 -0.013 0.000 0.844 196 S HN 0.201 nan 8.310 nan 0.000 0.459 197 K N 1.630 122.025 120.400 -0.009 0.000 2.097 197 K HA 0.136 4.448 4.320 -0.014 0.000 0.205 197 K C 1.723 178.320 176.600 -0.005 0.000 1.050 197 K CA 1.053 57.351 56.287 0.019 0.000 0.938 197 K CB -0.523 32.004 32.500 0.046 0.000 0.718 197 K HN 0.347 nan 8.250 nan 0.000 0.442 198 I N 0.421 120.983 120.570 -0.013 0.000 2.179 198 I HA -0.257 3.905 4.170 -0.014 0.000 0.242 198 I C 2.416 178.521 176.117 -0.020 0.000 1.088 198 I CA 1.501 62.809 61.300 0.013 0.000 1.357 198 I CB -0.313 37.711 38.000 0.041 0.000 1.051 198 I HN 0.370 nan 8.210 nan 0.000 0.409 199 E N 1.154 121.351 120.200 -0.005 0.000 2.038 199 E HA -0.328 4.014 4.350 -0.014 0.000 0.195 199 E C 2.132 178.715 176.600 -0.029 0.000 1.000 199 E CA 1.871 58.276 56.400 0.008 0.000 0.803 199 E CB -0.088 29.617 29.700 0.009 0.000 0.750 199 E HN 0.446 nan 8.360 nan 0.000 0.448 200 E N -0.207 119.964 120.200 -0.048 0.000 2.058 200 E HA -0.194 4.148 4.350 -0.014 0.000 0.194 200 E C 2.099 178.619 176.600 -0.133 0.000 0.997 200 E CA 1.640 58.001 56.400 -0.065 0.000 0.801 200 E CB -0.035 29.638 29.700 -0.045 0.000 0.746 200 E HN 0.146 nan 8.360 nan 0.000 0.450 201 S N 0.538 116.090 115.700 -0.248 0.000 2.368 201 S HA -0.103 4.359 4.470 -0.014 0.000 0.225 201 S C 1.960 176.256 174.600 -0.507 0.000 1.030 201 S CA 0.909 58.783 58.200 -0.543 0.000 0.999 201 S CB -0.169 62.322 63.200 -1.182 0.000 0.844 201 S HN 0.269 nan 8.310 nan 0.000 0.459 202 L N 0.993 122.038 121.223 -0.298 0.000 2.109 202 L HA -0.052 4.280 4.340 -0.014 0.000 0.207 202 L C 2.465 179.346 176.870 0.017 0.000 1.086 202 L CA 1.073 55.901 54.840 -0.019 0.000 0.760 202 L CB -0.378 41.759 42.059 0.130 0.000 0.910 202 L HN 0.220 nan 8.230 nan 0.000 0.437 203 K N 0.075 120.467 120.400 -0.012 0.000 2.063 203 K HA -0.150 4.161 4.320 -0.014 0.000 0.208 203 K C 1.631 178.228 176.600 -0.005 0.000 1.048 203 K CA 1.455 57.743 56.287 0.002 0.000 0.928 203 K CB -0.121 32.374 32.500 -0.009 0.000 0.713 203 K HN 0.295 nan 8.250 nan 0.000 0.442 204 N N 0.101 118.779 118.700 -0.037 0.000 2.422 204 N HA 0.021 4.753 4.740 -0.014 0.000 0.181 204 N C -0.057 175.450 175.510 -0.005 0.000 1.080 204 N CA 0.230 53.261 53.050 -0.032 0.000 0.893 204 N CB 0.231 38.682 38.487 -0.061 0.000 0.973 204 N HN 0.093 nan 8.380 nan 0.000 0.456 205 A N 0.518 123.349 122.820 0.020 0.000 2.354 205 A HA 0.233 4.544 4.320 -0.014 0.000 0.269 205 A C 0.874 178.527 177.584 0.114 0.000 1.109 205 A CA -0.246 51.843 52.037 0.087 0.000 0.800 205 A CB 0.604 19.706 19.000 0.170 0.000 1.045 205 A HN 0.183 nan 8.150 nan 0.000 0.489 206 Q N 0.260 120.123 119.800 0.105 0.000 2.391 206 Q HA 0.140 4.472 4.340 -0.014 0.000 0.211 206 Q C 0.426 176.542 176.000 0.194 0.000 0.908 206 Q CA 0.693 56.561 55.803 0.108 0.000 0.920 206 Q CB 0.391 29.155 28.738 0.042 0.000 1.056 206 Q HN 0.682 nan 8.270 nan 0.000 0.523 207 K N 1.387 121.883 120.400 0.159 0.000 3.207 207 K HA 0.229 4.540 4.320 -0.014 0.000 0.166 207 K C -2.806 173.851 176.600 0.094 0.000 1.079 207 K CA -1.782 54.572 56.287 0.113 0.000 0.818 207 K CB 1.114 33.556 32.500 -0.096 0.000 0.967 207 K HN -0.068 nan 8.250 nan 0.000 0.594 208 P HA 0.100 nan 4.420 nan 0.000 0.274 208 P C -0.851 176.501 177.300 0.086 0.000 1.237 208 P CA -0.483 62.726 63.100 0.182 0.000 0.793 208 P CB 1.846 33.711 31.700 0.275 0.000 0.977 209 V N 2.555 122.493 119.914 0.041 0.000 2.760 209 V HA 0.332 4.444 4.120 -0.014 0.000 0.309 209 V C -0.837 175.221 176.094 -0.060 0.000 1.077 209 V CA -0.914 61.392 62.300 0.010 0.000 0.910 209 V CB 2.498 34.352 31.823 0.052 0.000 1.008 209 V HN 0.216 nan 8.190 nan 0.000 0.424 210 V N 7.377 127.270 119.914 -0.034 0.000 2.472 210 V HA 0.552 4.664 4.120 -0.014 0.000 0.290 210 V C -0.095 175.985 176.094 -0.022 0.000 1.037 210 V CA -0.404 61.886 62.300 -0.015 0.000 0.908 210 V CB 1.606 33.466 31.823 0.061 0.000 0.985 210 V HN 0.685 nan 8.190 nan 0.000 0.454 211 I N 4.015 124.568 120.570 -0.028 0.000 2.382 211 I HA 0.686 4.848 4.170 -0.014 0.000 0.286 211 I C 0.229 176.361 176.117 0.025 0.000 1.002 211 I CA -0.457 60.842 61.300 -0.002 0.000 1.135 211 I CB 1.677 39.667 38.000 -0.017 0.000 1.288 211 I HN 0.671 nan 8.210 nan 0.000 0.448 212 A N 4.640 127.489 122.820 0.050 0.000 2.324 212 A HA 0.926 5.238 4.320 -0.014 0.000 0.330 212 A C 0.065 177.670 177.584 0.034 0.000 1.165 212 A CA -0.347 51.720 52.037 0.049 0.000 0.813 212 A CB 1.360 20.396 19.000 0.060 0.000 1.197 212 A HN 0.820 nan 8.150 nan 0.000 0.484 213 G N -0.590 108.210 108.800 0.001 0.000 3.211 213 G HA2 0.465 4.417 3.960 -0.014 0.000 0.262 213 G HA3 0.465 4.417 3.960 -0.014 0.000 0.262 213 G C 0.673 175.504 174.900 -0.114 0.000 1.352 213 G CA 0.237 45.303 45.100 -0.057 0.000 1.004 213 G HN 0.980 nan 8.290 nan 0.000 0.559 214 H N -0.771 118.114 119.070 -0.308 0.000 2.456 214 H HA 0.005 4.553 4.556 -0.013 0.000 0.296 214 H C 1.490 176.745 175.328 -0.122 0.000 1.079 214 H CA 1.724 57.614 56.048 -0.264 0.000 1.322 214 H CB -0.073 29.346 29.762 -0.571 0.000 1.388 214 H HN 0.640 nan 8.280 nan 0.000 0.538 215 E N 0.845 120.575 120.200 -0.784 0.000 2.268 215 E HA -0.054 4.288 4.350 -0.014 0.000 0.195 215 E C 2.421 179.057 176.600 0.059 0.000 0.995 215 E CA 0.844 56.993 56.400 -0.418 0.000 0.836 215 E CB 0.211 29.518 29.700 -0.656 0.000 0.763 215 E HN 0.272 nan 8.360 nan 0.000 0.491 216 V N 1.446 121.421 119.914 0.101 0.000 2.343 216 V HA -0.264 3.848 4.120 -0.014 0.000 0.247 216 V C 2.195 178.385 176.094 0.161 0.000 1.051 216 V CA 1.522 63.938 62.300 0.194 0.000 1.036 216 V CB -0.363 31.529 31.823 0.113 0.000 0.654 216 V HN 0.288 nan 8.190 nan 0.000 0.451 217 I N -0.014 120.617 120.570 0.102 0.000 2.226 217 I HA -0.207 3.955 4.170 -0.014 0.000 0.245 217 I C 2.593 178.773 176.117 0.104 0.000 1.100 217 I CA 1.470 62.831 61.300 0.101 0.000 1.374 217 I CB -0.525 37.539 38.000 0.105 0.000 1.057 217 I HN 0.255 nan 8.210 nan 0.000 0.413 218 S N 0.616 116.372 115.700 0.092 0.000 2.380 218 S HA -0.198 4.264 4.470 -0.014 0.000 0.229 218 S C 1.628 176.213 174.600 -0.025 0.000 1.043 218 S CA 1.746 59.964 58.200 0.030 0.000 1.038 218 S CB -0.367 62.830 63.200 -0.006 0.000 0.872 218 S HN 0.334 nan 8.310 nan 0.000 0.456 219 F N 0.747 120.738 119.950 0.067 0.000 2.727 219 F HA 0.318 4.837 4.527 -0.014 0.000 0.302 219 F C 1.631 177.464 175.800 0.056 0.000 1.097 219 F CA 0.139 58.187 58.000 0.080 0.000 1.330 219 F CB 0.080 39.168 39.000 0.148 0.000 1.084 219 F HN 0.295 nan 8.300 nan 0.000 0.578 220 G N 1.078 109.982 108.800 0.174 0.000 2.246 220 G HA2 -0.307 3.645 3.960 -0.014 0.000 0.273 220 G HA3 -0.307 3.645 3.960 -0.014 0.000 0.273 220 G C 0.659 175.624 174.900 0.109 0.000 1.055 220 G CA 0.307 45.475 45.100 0.113 0.000 0.851 220 G HN 0.442 nan 8.290 nan 0.000 0.500 221 L N -0.835 120.462 121.223 0.123 0.000 2.628 221 L HA 0.242 4.574 4.340 -0.014 0.000 0.229 221 L C 2.190 179.087 176.870 0.045 0.000 1.137 221 L CA 0.227 55.108 54.840 0.068 0.000 0.909 221 L CB 0.107 42.189 42.059 0.039 0.000 1.137 221 L HN 0.251 nan 8.230 nan 0.000 0.470 222 E N 0.726 120.957 120.200 0.052 0.000 2.038 222 E HA -0.232 4.110 4.350 -0.014 0.000 0.195 222 E C 1.943 178.559 176.600 0.027 0.000 1.000 222 E CA 1.373 57.794 56.400 0.036 0.000 0.803 222 E CB -0.001 29.716 29.700 0.030 0.000 0.750 222 E HN 0.308 nan 8.360 nan 0.000 0.448 223 K N -0.051 120.365 120.400 0.026 0.000 2.097 223 K HA -0.076 4.236 4.320 -0.014 0.000 0.206 223 K C 2.257 178.877 176.600 0.032 0.000 1.049 223 K CA 1.519 57.820 56.287 0.024 0.000 0.933 223 K CB -0.204 32.310 32.500 0.022 0.000 0.717 223 K HN 0.114 nan 8.250 nan 0.000 0.442 224 T N 1.130 115.701 114.554 0.028 0.000 2.708 224 T HA -0.111 4.231 4.350 -0.014 0.000 0.266 224 T C 2.043 176.777 174.700 0.057 0.000 1.037 224 T CA 1.288 63.403 62.100 0.024 0.000 1.146 224 T CB -0.173 68.685 68.868 -0.016 0.000 0.865 224 T HN -0.051 nan 8.240 nan 0.000 0.435 225 V N 1.479 121.425 119.914 0.054 0.000 2.358 225 V HA -0.168 3.944 4.120 -0.014 0.000 0.246 225 V C 2.789 178.966 176.094 0.138 0.000 1.047 225 V CA 1.890 64.258 62.300 0.113 0.000 1.035 225 V CB -1.187 30.681 31.823 0.076 0.000 0.658 225 V HN 0.519 nan 8.190 nan 0.000 0.452 226 T N -0.534 114.062 114.554 0.070 0.000 2.684 226 T HA -0.319 4.023 4.350 -0.014 0.000 0.267 226 T C 1.915 176.646 174.700 0.052 0.000 1.036 226 T CA 2.115 64.239 62.100 0.040 0.000 1.148 226 T CB -0.239 68.635 68.868 0.010 0.000 0.863 226 T HN 0.569 nan 8.240 nan 0.000 0.436 227 Q N -0.385 119.458 119.800 0.073 0.000 2.084 227 Q HA -0.133 4.199 4.340 -0.014 0.000 0.202 227 Q C 2.128 178.196 176.000 0.113 0.000 0.978 227 Q CA 1.405 57.254 55.803 0.076 0.000 0.844 227 Q CB -0.292 28.491 28.738 0.074 0.000 0.898 227 Q HN 0.539 nan 8.270 nan 0.000 0.426 228 F N 0.484 120.436 119.950 0.002 0.000 2.095 228 F HA -0.210 4.308 4.527 -0.014 0.000 0.298 228 F C 1.869 177.682 175.800 0.023 0.000 1.104 228 F CA 1.461 59.466 58.000 0.009 0.000 1.232 228 F CB -0.546 38.452 39.000 -0.003 0.000 0.987 228 F HN -0.077 nan 8.300 nan 0.000 0.475 229 V N -0.640 119.175 119.914 -0.164 0.000 2.427 229 V HA -0.243 3.868 4.120 -0.014 0.000 0.248 229 V C 2.681 178.685 176.094 -0.150 0.000 1.051 229 V CA 1.863 64.014 62.300 -0.248 0.000 1.048 229 V CB -0.848 30.926 31.823 -0.081 0.000 0.666 229 V HN 0.528 nan 8.190 nan 0.000 0.456 230 S N -0.305 115.354 115.700 -0.069 0.000 2.356 230 S HA -0.237 4.225 4.470 -0.014 0.000 0.223 230 S C 1.949 176.532 174.600 -0.029 0.000 1.032 230 S CA 1.986 60.166 58.200 -0.032 0.000 1.005 230 S CB -0.191 63.005 63.200 -0.006 0.000 0.867 230 S HN 0.727 nan 8.310 nan 0.000 0.449 231 E N 0.012 120.189 120.200 -0.038 0.000 2.077 231 E HA -0.108 4.234 4.350 -0.014 0.000 0.193 231 E C 2.243 178.815 176.600 -0.045 0.000 0.989 231 E CA 1.716 58.102 56.400 -0.022 0.000 0.800 231 E CB -0.239 29.466 29.700 0.009 0.000 0.746 231 E HN 0.822 nan 8.360 nan 0.000 0.452 232 T N -1.928 112.541 114.554 -0.142 0.000 3.067 232 T HA 0.082 4.424 4.350 -0.014 0.000 0.257 232 T C 0.715 175.407 174.700 -0.013 0.000 1.105 232 T CA 0.190 62.212 62.100 -0.130 0.000 1.104 232 T CB -0.020 68.631 68.868 -0.362 0.000 0.925 232 T HN 0.070 nan 8.240 nan 0.000 0.498 233 K N 0.561 120.962 120.400 0.003 0.000 3.209 233 K HA -0.130 4.182 4.320 -0.014 0.000 0.289 233 K C -0.374 176.349 176.600 0.205 0.000 1.191 233 K CA 0.208 56.583 56.287 0.147 0.000 0.851 233 K CB -2.415 30.237 32.500 0.253 0.000 1.242 233 K HN 0.468 nan 8.250 nan 0.000 0.480 234 L N 1.823 123.048 121.223 0.003 0.000 2.455 234 L HA 0.112 4.444 4.340 -0.014 0.000 0.272 234 L C -1.784 175.023 176.870 -0.106 0.000 1.174 234 L CA -1.758 53.041 54.840 -0.068 0.000 0.869 234 L CB 0.094 42.076 42.059 -0.129 0.000 1.130 234 L HN -0.182 nan 8.230 nan 0.000 0.474 235 P HA 0.085 nan 4.420 nan 0.000 0.262 235 P C -0.768 176.443 177.300 -0.149 0.000 1.182 235 P CA 0.407 63.387 63.100 -0.201 0.000 0.761 235 P CB 0.558 32.133 31.700 -0.208 0.000 0.795 236 I N 1.963 122.441 120.570 -0.154 0.000 2.686 236 I HA 0.541 4.703 4.170 -0.014 0.000 0.295 236 I C -0.728 175.353 176.117 -0.060 0.000 1.114 236 I CA -0.298 60.976 61.300 -0.044 0.000 1.038 236 I CB 2.272 40.303 38.000 0.052 0.000 1.238 236 I HN 0.215 nan 8.210 nan 0.000 0.420 237 T N 3.763 118.302 114.554 -0.026 0.000 2.901 237 T HA 0.739 5.080 4.350 -0.014 0.000 0.293 237 T C -0.741 174.032 174.700 0.121 0.000 1.084 237 T CA -0.155 61.926 62.100 -0.031 0.000 1.008 237 T CB 1.541 70.345 68.868 -0.105 0.000 1.170 237 T HN 0.781 nan 8.240 nan 0.000 0.509 238 T N 0.966 115.627 114.554 0.179 0.000 2.916 238 T HA 0.731 5.073 4.350 -0.014 0.000 0.292 238 T C -0.028 174.737 174.700 0.108 0.000 1.064 238 T CA -0.930 61.250 62.100 0.133 0.000 1.011 238 T CB 0.756 69.696 68.868 0.120 0.000 1.152 238 T HN 0.539 nan 8.240 nan 0.000 0.510 239 L N 2.010 123.297 121.223 0.106 0.000 2.479 239 L HA 0.309 4.641 4.340 -0.014 0.000 0.248 239 L C 1.899 178.810 176.870 0.068 0.000 1.205 239 L CA -0.884 54.016 54.840 0.100 0.000 0.817 239 L CB 0.139 42.282 42.059 0.140 0.000 1.162 239 L HN 0.931 nan 8.230 nan 0.000 0.486 240 N N -0.648 118.090 118.700 0.063 0.000 2.459 240 N HA -0.166 4.565 4.740 -0.014 0.000 0.181 240 N C 0.182 175.873 175.510 0.301 0.000 1.046 240 N CA 0.635 53.717 53.050 0.054 0.000 0.904 240 N CB -0.162 38.315 38.487 -0.017 0.000 0.964 240 N HN 0.361 nan 8.380 nan 0.000 0.444 241 F N 1.600 121.615 119.950 0.108 0.000 2.423 241 F HA 0.529 5.049 4.527 -0.012 0.000 0.356 241 F C 1.186 177.069 175.800 0.139 0.000 1.170 241 F CA -0.780 57.277 58.000 0.095 0.000 1.163 241 F CB -0.272 38.740 39.000 0.020 0.000 1.318 241 F HN 0.342 nan 8.300 nan 0.000 0.569 242 G N 4.198 113.153 108.800 0.258 0.000 2.138 242 G HA2 -0.241 3.711 3.960 -0.014 0.000 0.193 242 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.193 242 G C 0.347 175.312 174.900 0.109 0.000 0.998 242 G CA -0.152 45.024 45.100 0.127 0.000 0.668 242 G HN 0.714 nan 8.290 nan 0.000 0.516 243 K N 0.970 121.437 120.400 0.112 0.000 2.484 243 K HA 0.349 4.661 4.320 -0.014 0.000 0.280 243 K C 1.499 178.121 176.600 0.037 0.000 1.013 243 K CA 1.178 57.444 56.287 -0.035 0.000 1.029 243 K CB 0.069 32.353 32.500 -0.360 0.000 0.902 243 K HN 1.617 nan 8.250 nan 0.000 0.481 244 S N 1.032 116.698 115.700 -0.057 0.000 3.315 244 S HA -0.214 4.248 4.470 -0.014 0.000 0.283 244 S C 0.882 175.472 174.600 -0.016 0.000 1.279 244 S CA 0.666 58.836 58.200 -0.051 0.000 0.984 244 S CB -2.214 61.011 63.200 0.041 0.000 1.184 244 S HN 0.835 nan 8.310 nan 0.000 0.653 245 A N -0.123 122.696 122.820 -0.002 0.000 2.070 245 A HA 0.497 4.809 4.320 -0.014 0.000 0.220 245 A C 1.181 178.763 177.584 -0.004 0.000 1.159 245 A CA 1.498 53.546 52.037 0.018 0.000 0.656 245 A CB -0.008 19.012 19.000 0.033 0.000 0.800 245 A HN 1.655 nan 8.150 nan 0.000 0.453 246 V N -0.427 119.452 119.914 -0.059 0.000 3.040 246 V HA 0.316 4.428 4.120 -0.014 0.000 0.312 246 V C -1.286 174.693 176.094 -0.193 0.000 1.115 246 V CA -1.069 61.180 62.300 -0.086 0.000 0.998 246 V CB 1.905 33.698 31.823 -0.051 0.000 1.042 246 V HN 0.333 nan 8.190 nan 0.000 0.433 247 D N 2.951 123.259 120.400 -0.154 0.000 2.412 247 D HA 0.061 4.693 4.640 -0.014 0.000 0.257 247 D C 0.928 177.029 176.300 -0.332 0.000 1.217 247 D CA 0.375 54.264 54.000 -0.184 0.000 0.897 247 D CB 1.165 41.908 40.800 -0.094 0.000 1.132 247 D HN 0.678 nan 8.370 nan 0.000 0.493 248 E N 1.313 121.233 120.200 -0.467 0.000 2.482 248 E HA -0.096 4.245 4.350 -0.014 0.000 0.196 248 E C 1.600 178.114 176.600 -0.143 0.000 1.047 248 E CA 0.190 56.141 56.400 -0.749 0.000 0.869 248 E CB 0.190 29.459 29.700 -0.718 0.000 0.836 248 E HN 0.424 nan 8.360 nan 0.000 0.520 249 S N 0.303 115.957 115.700 -0.076 0.000 2.562 249 S HA 0.035 4.496 4.470 -0.014 0.000 0.221 249 S C 0.953 175.559 174.600 0.010 0.000 0.975 249 S CA -0.249 57.955 58.200 0.007 0.000 0.918 249 S CB -0.291 62.906 63.200 -0.005 0.000 0.772 249 S HN 0.089 nan 8.310 nan 0.000 0.531 250 L N 2.093 123.313 121.223 -0.005 0.000 2.525 250 L HA 0.138 4.469 4.340 -0.014 0.000 0.278 250 L C -1.236 175.622 176.870 -0.019 0.000 1.218 250 L CA -1.360 53.475 54.840 -0.008 0.000 0.878 250 L CB 0.132 42.183 42.059 -0.014 0.000 1.127 250 L HN 0.087 nan 8.230 nan 0.000 0.492 251 P HA -0.162 nan 4.420 nan 0.000 0.218 251 P C 1.225 178.269 177.300 -0.427 0.000 1.148 251 P CA 1.166 64.192 63.100 -0.124 0.000 0.822 251 P CB 0.163 31.846 31.700 -0.027 0.000 0.784 252 S N -2.480 112.895 115.700 -0.542 0.000 2.575 252 S HA 0.059 4.520 4.470 -0.014 0.000 0.215 252 S C 0.402 174.700 174.600 -0.503 0.000 0.966 252 S CA -0.571 57.010 58.200 -1.031 0.000 0.911 252 S CB -1.151 61.672 63.200 -0.629 0.000 0.780 252 S HN -0.041 nan 8.310 nan 0.000 0.514 253 F N 2.773 122.520 119.950 -0.339 0.000 2.502 253 F HA 0.409 4.927 4.527 -0.014 0.000 0.371 253 F C 0.803 176.537 175.800 -0.109 0.000 1.083 253 F CA -1.220 56.677 58.000 -0.171 0.000 1.174 253 F CB 0.326 39.292 39.000 -0.056 0.000 1.096 253 F HN -0.003 nan 8.300 nan 0.000 0.545 254 L N 5.177 125.915 121.223 -0.807 0.000 2.249 254 L HA 0.340 4.671 4.340 -0.014 0.000 0.207 254 L C 1.348 177.878 176.870 -0.567 0.000 1.090 254 L CA 0.595 55.085 54.840 -0.584 0.000 0.802 254 L CB -0.932 40.828 42.059 -0.499 0.000 0.947 254 L HN 0.916 nan 8.230 nan 0.000 0.453 255 G N -0.079 107.926 108.800 -1.325 0.000 2.316 255 G HA2 -0.019 3.933 3.960 -0.014 0.000 0.349 255 G HA3 -0.019 3.933 3.960 -0.014 0.000 0.349 255 G C -1.230 173.311 174.900 -0.598 0.000 1.274 255 G CA -0.986 43.546 45.100 -0.947 0.000 1.018 255 G HN -0.165 nan 8.290 nan 0.000 0.486 256 I N 0.990 121.359 120.570 -0.335 0.000 2.315 256 I HA 0.299 4.461 4.170 -0.014 0.000 0.291 256 I C 0.007 176.094 176.117 -0.051 0.000 1.006 256 I CA -0.513 60.695 61.300 -0.154 0.000 1.265 256 I CB 0.887 38.765 38.000 -0.205 0.000 1.387 256 I HN 0.580 nan 8.210 nan 0.000 0.475 257 Y N 7.327 127.563 120.300 -0.107 0.000 2.393 257 Y HA 0.188 4.730 4.550 -0.013 0.000 0.338 257 Y C 0.473 176.349 175.900 -0.040 0.000 1.029 257 Y CA 0.170 58.235 58.100 -0.059 0.000 1.239 257 Y CB 0.476 38.919 38.460 -0.029 0.000 1.170 257 Y HN 0.582 nan 8.280 nan 0.000 0.515 258 N N 4.885 123.298 118.700 -0.477 0.000 2.672 258 N HA 0.251 4.982 4.740 -0.014 0.000 0.295 258 N C 0.175 175.391 175.510 -0.490 0.000 1.924 258 N CA 0.672 53.478 53.050 -0.406 0.000 0.851 258 N CB 0.216 38.579 38.487 -0.207 0.000 1.281 258 N HN 1.095 nan 8.380 nan 0.000 0.494 259 G N 2.162 110.451 108.800 -0.852 0.000 2.596 259 G HA2 -0.414 3.537 3.960 -0.014 0.000 0.295 259 G HA3 -0.414 3.537 3.960 -0.014 0.000 0.295 259 G C 0.858 175.598 174.900 -0.266 0.000 1.240 259 G CA 0.733 45.537 45.100 -0.495 0.000 0.985 259 G HN 0.599 nan 8.290 nan 0.000 0.555 260 K N 0.510 120.830 120.400 -0.134 0.000 2.439 260 K HA 0.248 4.560 4.320 -0.014 0.000 0.197 260 K C 2.187 178.746 176.600 -0.067 0.000 1.041 260 K CA 1.483 57.742 56.287 -0.047 0.000 0.970 260 K CB -0.109 32.383 32.500 -0.015 0.000 0.773 260 K HN 0.477 nan 8.250 nan 0.000 0.479 261 L N 1.792 122.942 121.223 -0.120 0.000 2.591 261 L HA 0.104 4.436 4.340 -0.014 0.000 0.228 261 L C 0.251 177.061 176.870 -0.100 0.000 1.133 261 L CA -0.442 54.331 54.840 -0.113 0.000 0.880 261 L CB -0.092 41.881 42.059 -0.144 0.000 1.033 261 L HN 0.059 nan 8.230 nan 0.000 0.450 262 S N 0.444 116.083 115.700 -0.102 0.000 2.573 262 S HA -0.021 4.441 4.470 -0.014 0.000 0.277 262 S C 0.501 175.099 174.600 -0.005 0.000 1.346 262 S CA -0.365 57.804 58.200 -0.052 0.000 1.034 262 S CB 0.780 63.991 63.200 0.018 0.000 0.879 262 S HN 0.196 nan 8.310 nan 0.000 0.528 263 E N 0.862 121.065 120.200 0.005 0.000 2.452 263 E HA -0.069 4.273 4.350 -0.014 0.000 0.261 263 E C 0.993 177.624 176.600 0.052 0.000 0.987 263 E CA -0.186 56.229 56.400 0.026 0.000 0.926 263 E CB 0.353 30.074 29.700 0.035 0.000 0.934 263 E HN 0.558 nan 8.360 nan 0.000 0.452 264 I N 4.538 125.137 120.570 0.049 0.000 2.163 264 I HA -0.328 3.834 4.170 -0.014 0.000 0.243 264 I C 2.314 178.480 176.117 0.082 0.000 1.085 264 I CA 2.377 63.714 61.300 0.062 0.000 1.347 264 I CB -0.552 37.476 38.000 0.046 0.000 1.044 264 I HN 0.642 nan 8.210 nan 0.000 0.408 265 S N 0.144 115.890 115.700 0.078 0.000 2.382 265 S HA -0.183 4.279 4.470 -0.014 0.000 0.228 265 S C 2.050 176.731 174.600 0.135 0.000 1.027 265 S CA 1.286 59.547 58.200 0.101 0.000 0.991 265 S CB -1.092 62.159 63.200 0.085 0.000 0.823 265 S HN 0.443 nan 8.310 nan 0.000 0.469 266 L N 1.991 123.274 121.223 0.101 0.000 2.027 266 L HA 0.148 4.480 4.340 -0.014 0.000 0.206 266 L C 2.500 179.470 176.870 0.167 0.000 1.074 266 L CA 2.078 56.974 54.840 0.094 0.000 0.745 266 L CB -1.160 40.923 42.059 0.040 0.000 0.898 266 L HN 0.391 nan 8.230 nan 0.000 0.433 267 K N -0.557 119.959 120.400 0.194 0.000 2.044 267 K HA -0.235 4.077 4.320 -0.014 0.000 0.210 267 K C 1.917 178.630 176.600 0.189 0.000 1.049 267 K CA 1.931 58.374 56.287 0.261 0.000 0.927 267 K CB -0.136 32.493 32.500 0.215 0.000 0.713 267 K HN 0.382 nan 8.250 nan 0.000 0.443 268 N N 0.105 118.896 118.700 0.150 0.000 2.166 268 N HA -0.169 4.563 4.740 -0.014 0.000 0.186 268 N C 1.590 177.161 175.510 0.102 0.000 1.019 268 N CA 1.195 54.309 53.050 0.108 0.000 0.856 268 N CB -0.410 38.129 38.487 0.087 0.000 0.993 268 N HN 0.210 nan 8.380 nan 0.000 0.426 269 F N 1.387 121.345 119.950 0.013 0.000 2.051 269 F HA -0.166 4.352 4.527 -0.014 0.000 0.296 269 F C 2.218 177.991 175.800 -0.045 0.000 1.122 269 F CA 1.003 59.000 58.000 -0.005 0.000 1.201 269 F CB -0.232 38.768 39.000 -0.000 0.000 0.978 269 F HN -0.218 nan 8.300 nan 0.000 0.472 270 V N 0.376 120.426 119.914 0.227 0.000 2.332 270 V HA -0.317 3.794 4.120 -0.014 0.000 0.248 270 V C 1.897 177.945 176.094 -0.076 0.000 1.055 270 V CA 2.385 64.678 62.300 -0.011 0.000 1.038 270 V CB -0.683 30.919 31.823 -0.368 0.000 0.651 270 V HN 0.377 nan 8.190 nan 0.000 0.450 271 E N 0.182 120.369 120.200 -0.023 0.000 2.481 271 E HA -0.042 4.300 4.350 -0.014 0.000 0.195 271 E C 1.859 178.457 176.600 -0.003 0.000 1.047 271 E CA 0.917 57.328 56.400 0.018 0.000 0.867 271 E CB 0.018 29.785 29.700 0.111 0.000 0.858 271 E HN 0.740 nan 8.360 nan 0.000 0.513 272 S N -0.181 115.491 115.700 -0.046 0.000 2.539 272 S HA 0.354 4.816 4.470 -0.014 0.000 0.221 272 S C 0.804 175.335 174.600 -0.115 0.000 0.987 272 S CA -0.433 57.720 58.200 -0.078 0.000 0.929 272 S CB 0.534 63.673 63.200 -0.101 0.000 0.832 272 S HN 0.157 nan 8.310 nan 0.000 0.492 273 A N 2.792 125.543 122.820 -0.114 0.000 2.498 273 A HA 0.329 4.641 4.320 -0.014 0.000 0.239 273 A C 1.182 178.764 177.584 -0.004 0.000 1.068 273 A CA 0.219 52.203 52.037 -0.089 0.000 0.766 273 A CB 0.124 19.101 19.000 -0.039 0.000 1.003 273 A HN 0.528 nan 8.150 nan 0.000 0.497 274 D N 0.308 120.733 120.400 0.042 0.000 2.347 274 D HA 0.075 4.707 4.640 -0.014 0.000 0.213 274 D C -0.134 176.308 176.300 0.237 0.000 0.985 274 D CA 0.385 54.446 54.000 0.101 0.000 0.879 274 D CB 0.004 40.850 40.800 0.076 0.000 0.919 274 D HN 0.279 nan 8.370 nan 0.000 0.526 275 F N 0.477 120.465 119.950 0.064 0.000 2.588 275 F HA 0.491 5.010 4.527 -0.013 0.000 0.314 275 F C -1.911 173.934 175.800 0.075 0.000 1.134 275 F CA -1.625 56.441 58.000 0.109 0.000 0.961 275 F CB 1.411 40.488 39.000 0.129 0.000 1.239 275 F HN -0.258 nan 8.300 nan 0.000 0.448 276 I N 6.892 127.027 120.570 -0.724 0.000 2.389 276 I HA 0.383 4.545 4.170 -0.014 0.000 0.288 276 I C -1.431 174.091 176.117 -0.991 0.000 0.999 276 I CA -1.006 59.906 61.300 -0.648 0.000 1.129 276 I CB 1.830 39.658 38.000 -0.287 0.000 1.288 276 I HN 0.458 nan 8.210 nan 0.000 0.444 277 L N 7.859 128.662 121.223 -0.699 0.000 2.276 277 L HA 0.529 4.861 4.340 -0.014 0.000 0.286 277 L C -0.589 176.175 176.870 -0.176 0.000 1.024 277 L CA -0.084 54.519 54.840 -0.395 0.000 0.826 277 L CB 0.892 42.873 42.059 -0.131 0.000 1.211 277 L HN 0.524 nan 8.230 nan 0.000 0.422 278 M N 6.747 126.267 119.600 -0.133 0.000 2.180 278 M HA 0.395 4.867 4.480 -0.014 0.000 0.350 278 M C -1.091 175.213 176.300 0.007 0.000 1.125 278 M CA -0.339 54.931 55.300 -0.051 0.000 1.031 278 M CB 1.313 33.889 32.600 -0.041 0.000 1.623 278 M HN 0.462 nan 8.290 nan 0.000 0.451 279 L N 2.671 123.920 121.223 0.043 0.000 2.324 279 L HA 0.465 4.797 4.340 -0.014 0.000 0.274 279 L C 0.837 177.797 176.870 0.150 0.000 1.012 279 L CA -0.453 54.461 54.840 0.124 0.000 0.859 279 L CB 1.346 43.445 42.059 0.067 0.000 1.224 279 L HN 1.077 nan 8.230 nan 0.000 0.429 280 G N 2.676 111.569 108.800 0.154 0.000 2.225 280 G HA2 -0.202 3.750 3.960 -0.014 0.000 0.264 280 G HA3 -0.202 3.750 3.960 -0.014 0.000 0.264 280 G C -0.186 174.570 174.900 -0.241 0.000 1.060 280 G CA -0.077 44.946 45.100 -0.129 0.000 0.833 280 G HN 0.371 nan 8.290 nan 0.000 0.498 281 V N -0.008 119.842 119.914 -0.105 0.000 2.532 281 V HA 0.623 4.735 4.120 -0.014 0.000 0.295 281 V C 0.458 176.557 176.094 0.009 0.000 1.041 281 V CA -0.364 61.906 62.300 -0.050 0.000 0.926 281 V CB 1.829 33.655 31.823 0.006 0.000 0.992 281 V HN 0.329 nan 8.190 nan 0.000 0.457 282 K N 4.633 125.088 120.400 0.092 0.000 2.397 282 K HA 0.584 4.896 4.320 -0.014 0.000 0.253 282 K C -1.385 175.352 176.600 0.227 0.000 0.932 282 K CA -0.667 55.734 56.287 0.190 0.000 0.795 282 K CB 2.270 34.964 32.500 0.323 0.000 1.159 282 K HN 0.487 nan 8.250 nan 0.000 0.424 283 L N 3.474 124.788 121.223 0.150 0.000 2.295 283 L HA 0.233 4.565 4.340 -0.014 0.000 0.288 283 L C 0.589 177.577 176.870 0.197 0.000 1.079 283 L CA -0.247 54.640 54.840 0.079 0.000 0.830 283 L CB 0.545 42.538 42.059 -0.109 0.000 1.200 283 L HN 0.735 nan 8.230 nan 0.000 0.438 284 T N -2.898 111.741 114.554 0.142 0.000 2.940 284 T HA 0.255 4.596 4.350 -0.014 0.000 0.288 284 T C 0.850 175.383 174.700 -0.279 0.000 1.045 284 T CA -0.585 61.573 62.100 0.097 0.000 1.018 284 T CB 1.821 70.698 68.868 0.014 0.000 1.151 284 T HN 0.569 nan 8.240 nan 0.000 0.529 285 D N 1.343 121.452 120.400 -0.485 0.000 2.104 285 D HA -0.134 4.498 4.640 -0.014 0.000 0.194 285 D C 1.826 177.887 176.300 -0.398 0.000 0.994 285 D CA 1.562 55.035 54.000 -0.879 0.000 0.830 285 D CB -1.014 39.527 40.800 -0.432 0.000 0.959 285 D HN 0.440 nan 8.370 nan 0.000 0.452 286 S N -0.657 114.972 115.700 -0.119 0.000 2.522 286 S HA -0.025 4.436 4.470 -0.014 0.000 0.227 286 S C 1.655 176.282 174.600 0.044 0.000 0.986 286 S CA 0.817 59.053 58.200 0.060 0.000 0.929 286 S CB -0.138 63.173 63.200 0.186 0.000 0.769 286 S HN 0.558 nan 8.310 nan 0.000 0.529 287 S N 0.386 116.059 115.700 -0.044 0.000 2.554 287 S HA 0.103 4.565 4.470 -0.014 0.000 0.226 287 S C 0.926 175.470 174.600 -0.093 0.000 0.980 287 S CA 0.163 58.368 58.200 0.009 0.000 0.939 287 S CB 0.059 63.335 63.200 0.127 0.000 0.832 287 S HN 0.432 nan 8.310 nan 0.000 0.486 288 T N -2.760 111.679 114.554 -0.190 0.000 3.399 288 T HA 0.543 4.885 4.350 -0.014 0.000 0.305 288 T C 1.044 175.611 174.700 -0.221 0.000 0.983 288 T CA 0.120 62.089 62.100 -0.217 0.000 0.967 288 T CB -0.102 68.667 68.868 -0.165 0.000 1.186 288 T HN 1.045 nan 8.240 nan 0.000 0.504 289 G N 1.557 110.211 108.800 -0.244 0.000 2.338 289 G HA2 0.140 4.092 3.960 -0.014 0.000 0.296 289 G HA3 0.140 4.092 3.960 -0.014 0.000 0.296 289 G C 0.737 175.476 174.900 -0.267 0.000 1.040 289 G CA 0.281 45.231 45.100 -0.249 0.000 1.004 289 G HN 2.026 nan 8.290 nan 0.000 0.509 290 A N -1.031 121.559 122.820 -0.384 0.000 2.800 290 A HA 0.123 4.435 4.320 -0.014 0.000 0.292 290 A C 1.113 178.574 177.584 -0.204 0.000 1.474 290 A CA 0.967 52.750 52.037 -0.424 0.000 0.744 290 A CB -2.088 16.742 19.000 -0.282 0.000 1.044 290 A HN 2.163 nan 8.150 nan 0.000 0.489 291 F N -2.675 117.302 119.950 0.045 0.000 3.058 291 F HA -0.235 4.284 4.527 -0.014 0.000 0.295 291 F C 1.379 177.172 175.800 -0.011 0.000 0.875 291 F CA 1.939 60.031 58.000 0.154 0.000 1.150 291 F CB -2.559 36.506 39.000 0.107 0.000 1.175 291 F HN 1.151 nan 8.300 nan 0.000 0.599 292 T N -3.350 111.229 114.554 0.041 0.000 3.176 292 T HA 0.136 4.478 4.350 -0.014 0.000 0.263 292 T C 0.670 175.162 174.700 -0.345 0.000 1.021 292 T CA 0.173 62.173 62.100 -0.167 0.000 0.905 292 T CB -0.299 68.507 68.868 -0.105 0.000 1.057 292 T HN 0.560 nan 8.240 nan 0.000 0.558 293 H N 0.821 119.738 119.070 -0.256 0.000 2.771 293 H HA 0.252 4.800 4.556 -0.014 0.000 0.364 293 H C -1.202 173.937 175.328 -0.314 0.000 1.133 293 H CA 0.102 56.060 56.048 -0.150 0.000 1.423 293 H CB 0.169 29.968 29.762 0.063 0.000 1.425 293 H HN 0.444 nan 8.280 nan 0.000 0.606 294 H N 2.337 121.557 119.070 0.249 0.000 2.716 294 H HA 0.382 4.930 4.556 -0.014 0.000 0.260 294 H C -0.629 174.790 175.328 0.152 0.000 1.280 294 H CA -0.418 55.698 56.048 0.113 0.000 1.506 294 H CB 0.505 30.313 29.762 0.077 0.000 1.514 294 H HN 0.359 nan 8.280 nan 0.000 0.502 295 L N 2.100 123.474 121.223 0.251 0.000 2.342 295 L HA 0.270 4.602 4.340 -0.014 0.000 0.276 295 L C -0.326 176.628 176.870 0.139 0.000 0.997 295 L CA -0.807 54.139 54.840 0.178 0.000 0.838 295 L CB 1.513 43.692 42.059 0.200 0.000 1.224 295 L HN 0.503 nan 8.230 nan 0.000 0.416 296 D N 2.969 123.431 120.400 0.104 0.000 2.336 296 D HA 0.043 4.675 4.640 -0.014 0.000 0.249 296 D C 1.007 177.369 176.300 0.103 0.000 1.213 296 D CA 0.104 54.163 54.000 0.098 0.000 0.870 296 D CB 1.080 41.931 40.800 0.085 0.000 1.076 296 D HN 0.538 nan 8.370 nan 0.000 0.483 297 E N 2.439 122.701 120.200 0.105 0.000 2.209 297 E HA -0.186 4.156 4.350 -0.014 0.000 0.196 297 E C 1.098 177.800 176.600 0.168 0.000 0.993 297 E CA 0.558 57.022 56.400 0.108 0.000 0.819 297 E CB 0.179 29.935 29.700 0.094 0.000 0.745 297 E HN 0.451 nan 8.360 nan 0.000 0.477 298 N N 0.978 119.778 118.700 0.167 0.000 2.364 298 N HA -0.120 4.612 4.740 -0.014 0.000 0.183 298 N C 0.758 176.459 175.510 0.317 0.000 1.022 298 N CA 1.031 54.204 53.050 0.205 0.000 0.883 298 N CB 0.078 38.632 38.487 0.112 0.000 0.965 298 N HN 0.202 nan 8.380 nan 0.000 0.438 299 K N -0.397 120.182 120.400 0.298 0.000 2.440 299 K HA 0.260 4.572 4.320 -0.014 0.000 0.206 299 K C 0.175 177.024 176.600 0.415 0.000 1.025 299 K CA -0.109 56.413 56.287 0.391 0.000 1.135 299 K CB 0.782 33.410 32.500 0.213 0.000 0.856 299 K HN 0.087 nan 8.250 nan 0.000 0.502 300 M N 1.497 121.255 119.600 0.262 0.000 2.395 300 M HA 0.423 4.895 4.480 -0.014 0.000 0.307 300 M C -1.668 174.413 176.300 -0.366 0.000 1.091 300 M CA -0.743 54.497 55.300 -0.100 0.000 0.919 300 M CB 1.594 34.157 32.600 -0.063 0.000 1.662 300 M HN -0.041 nan 8.290 nan 0.000 0.440 301 I N 3.699 124.032 120.570 -0.395 0.000 2.362 301 I HA 0.340 4.502 4.170 -0.014 0.000 0.289 301 I C -0.438 175.556 176.117 -0.204 0.000 0.994 301 I CA -0.498 60.602 61.300 -0.333 0.000 1.158 301 I CB 1.991 39.865 38.000 -0.210 0.000 1.315 301 I HN 0.739 nan 8.210 nan 0.000 0.451 302 S N 7.543 123.159 115.700 -0.140 0.000 2.482 302 S HA 0.774 5.236 4.470 -0.014 0.000 0.303 302 S C -0.858 173.731 174.600 -0.019 0.000 1.091 302 S CA -0.804 57.358 58.200 -0.063 0.000 1.057 302 S CB 1.632 64.815 63.200 -0.029 0.000 1.031 302 S HN 0.477 nan 8.310 nan 0.000 0.485 303 L N 2.890 124.148 121.223 0.060 0.000 2.356 303 L HA 0.592 4.924 4.340 -0.014 0.000 0.277 303 L C -0.518 176.538 176.870 0.309 0.000 0.996 303 L CA -0.618 54.351 54.840 0.215 0.000 0.822 303 L CB 1.673 43.857 42.059 0.209 0.000 1.256 303 L HN 0.714 nan 8.230 nan 0.000 0.413 304 N N 1.219 120.070 118.700 0.252 0.000 2.509 304 N HA 0.504 5.236 4.740 -0.014 0.000 0.280 304 N C 0.862 176.178 175.510 -0.322 0.000 1.306 304 N CA -0.838 52.115 53.050 -0.162 0.000 0.782 304 N CB 2.157 40.580 38.487 -0.107 0.000 1.493 304 N HN 0.420 nan 8.380 nan 0.000 0.498 305 I N 0.097 120.254 120.570 -0.687 0.000 2.208 305 I HA -0.244 3.918 4.170 -0.014 0.000 0.245 305 I C 0.660 176.604 176.117 -0.288 0.000 1.097 305 I CA 1.468 62.471 61.300 -0.496 0.000 1.363 305 I CB -0.018 37.788 38.000 -0.324 0.000 1.051 305 I HN 0.526 nan 8.210 nan 0.000 0.413 306 D N -0.174 120.110 120.400 -0.192 0.000 2.346 306 D HA 0.076 4.708 4.640 -0.014 0.000 0.206 306 D C 0.538 176.800 176.300 -0.064 0.000 1.001 306 D CA 0.538 54.468 54.000 -0.117 0.000 0.871 306 D CB 0.413 41.178 40.800 -0.058 0.000 0.943 306 D HN 0.391 nan 8.370 nan 0.000 0.518 307 E N -0.888 119.323 120.200 0.018 0.000 2.380 307 E HA 0.519 4.861 4.350 -0.014 0.000 0.281 307 E C -1.310 175.510 176.600 0.368 0.000 0.999 307 E CA -0.687 55.818 56.400 0.175 0.000 0.800 307 E CB 1.591 31.348 29.700 0.096 0.000 1.228 307 E HN 0.012 nan 8.360 nan 0.000 0.436 308 G N 2.837 111.883 108.800 0.410 0.000 2.542 308 G HA2 0.678 4.630 3.960 -0.014 0.000 0.311 308 G HA3 0.678 4.630 3.960 -0.014 0.000 0.311 308 G C -0.950 173.970 174.900 0.033 0.000 1.298 308 G CA -0.565 44.616 45.100 0.135 0.000 0.973 308 G HN 0.409 nan 8.290 nan 0.000 0.487 309 I N 2.807 123.362 120.570 -0.024 0.000 2.439 309 I HA 0.278 4.440 4.170 -0.014 0.000 0.285 309 I C -0.835 175.218 176.117 -0.107 0.000 1.021 309 I CA -0.795 60.486 61.300 -0.031 0.000 1.091 309 I CB 2.015 40.015 38.000 0.000 0.000 1.242 309 I HN 0.128 nan 8.210 nan 0.000 0.439 310 I N 7.396 127.904 120.570 -0.103 0.000 2.347 310 I HA 0.251 4.412 4.170 -0.014 0.000 0.283 310 I C -0.287 175.796 176.117 -0.055 0.000 1.058 310 I CA -0.738 60.448 61.300 -0.190 0.000 1.202 310 I CB -0.181 37.757 38.000 -0.103 0.000 1.386 310 I HN 0.518 nan 8.210 nan 0.000 0.475 311 F N 6.123 126.111 119.950 0.063 0.000 2.866 311 F HA -0.317 4.201 4.527 -0.014 0.000 0.254 311 F C 1.163 176.990 175.800 0.045 0.000 1.009 311 F CA 0.596 58.633 58.000 0.062 0.000 0.907 311 F CB -1.852 37.185 39.000 0.062 0.000 0.859 311 F HN 0.757 nan 8.300 nan 0.000 0.842 312 N N -2.811 115.975 118.700 0.143 0.000 2.972 312 N HA -0.214 4.518 4.740 -0.014 0.000 0.225 312 N C 0.063 175.621 175.510 0.080 0.000 0.883 312 N CA 1.237 54.349 53.050 0.102 0.000 1.010 312 N CB -0.429 38.124 38.487 0.109 0.000 1.052 312 N HN 0.346 nan 8.380 nan 0.000 0.598 313 K N 1.866 122.314 120.400 0.080 0.000 2.234 313 K HA 0.429 4.741 4.320 -0.014 0.000 0.277 313 K C 0.016 176.641 176.600 0.041 0.000 1.038 313 K CA -0.379 55.945 56.287 0.061 0.000 0.888 313 K CB 1.577 34.118 32.500 0.068 0.000 1.091 313 K HN -0.086 nan 8.250 nan 0.000 0.467 314 V N 3.864 123.806 119.914 0.046 0.000 2.614 314 V HA 0.234 4.346 4.120 -0.014 0.000 0.291 314 V C 0.359 176.489 176.094 0.060 0.000 1.049 314 V CA -0.565 61.766 62.300 0.052 0.000 1.038 314 V CB 1.356 33.213 31.823 0.057 0.000 0.980 314 V HN 0.358 nan 8.190 nan 0.000 0.481 315 V N 4.333 124.295 119.914 0.081 0.000 2.876 315 V HA 0.515 4.627 4.120 -0.014 0.000 0.312 315 V C 0.237 176.482 176.094 0.252 0.000 1.085 315 V CA -0.508 61.864 62.300 0.120 0.000 0.945 315 V CB 2.089 33.938 31.823 0.044 0.000 1.017 315 V HN 0.978 nan 8.190 nan 0.000 0.428 316 E N 0.535 120.886 120.200 0.251 0.000 2.603 316 E HA 0.069 4.411 4.350 -0.014 0.000 0.218 316 E C -0.300 176.393 176.600 0.156 0.000 0.878 316 E CA -0.132 56.392 56.400 0.208 0.000 1.348 316 E CB 0.824 30.579 29.700 0.092 0.000 1.318 316 E HN 0.698 nan 8.360 nan 0.000 0.673 317 D N 1.386 121.907 120.400 0.202 0.000 2.801 317 D HA 0.110 4.742 4.640 -0.014 0.000 0.232 317 D C -0.985 175.452 176.300 0.229 0.000 1.128 317 D CA -0.116 53.967 54.000 0.137 0.000 1.003 317 D CB -0.725 40.136 40.800 0.101 0.000 1.110 317 D HN 0.032 nan 8.370 nan 0.000 0.477 318 F N -1.027 118.932 119.950 0.014 0.000 2.631 318 F HA 0.424 4.943 4.527 -0.014 0.000 0.308 318 F C -1.009 174.799 175.800 0.013 0.000 1.097 318 F CA -1.387 56.617 58.000 0.006 0.000 0.952 318 F CB 1.081 40.081 39.000 -0.001 0.000 1.307 318 F HN -0.271 nan 8.300 nan 0.000 0.450 319 D N 2.834 123.241 120.400 0.012 0.000 2.380 319 D HA 0.102 4.734 4.640 -0.014 0.000 0.230 319 D C 0.569 176.870 176.300 0.002 0.000 1.154 319 D CA -0.356 53.599 54.000 -0.075 0.000 0.859 319 D CB 0.672 41.458 40.800 -0.023 0.000 1.045 319 D HN 0.607 nan 8.370 nan 0.000 0.495 320 F N 5.318 125.091 119.950 -0.294 0.000 2.091 320 F HA -0.178 4.341 4.527 -0.013 0.000 0.299 320 F C 2.205 177.837 175.800 -0.279 0.000 1.103 320 F CA 1.611 59.507 58.000 -0.173 0.000 1.228 320 F CB 0.063 38.872 39.000 -0.319 0.000 0.984 320 F HN 0.389 nan 8.300 nan 0.000 0.477 321 R N 0.419 120.595 120.500 -0.540 0.000 2.081 321 R HA -0.165 4.167 4.340 -0.014 0.000 0.235 321 R C 2.361 178.454 176.300 -0.345 0.000 1.131 321 R CA 1.359 57.099 56.100 -0.599 0.000 0.960 321 R CB -0.761 29.230 30.300 -0.515 0.000 0.856 321 R HN 0.434 nan 8.270 nan 0.000 0.436 322 A N 0.268 122.965 122.820 -0.205 0.000 1.902 322 A HA -0.117 4.195 4.320 -0.014 0.000 0.217 322 A C 2.287 179.783 177.584 -0.146 0.000 1.181 322 A CA 1.679 53.641 52.037 -0.124 0.000 0.623 322 A CB -0.555 18.413 19.000 -0.054 0.000 0.818 322 A HN 0.228 nan 8.150 nan 0.000 0.443 323 V N -0.430 119.394 119.914 -0.151 0.000 2.270 323 V HA -0.225 3.887 4.120 -0.014 0.000 0.245 323 V C 2.569 178.493 176.094 -0.284 0.000 1.043 323 V CA 1.953 64.151 62.300 -0.170 0.000 1.014 323 V CB -0.917 30.841 31.823 -0.107 0.000 0.645 323 V HN 0.359 nan 8.190 nan 0.000 0.447 324 V N 0.105 119.762 119.914 -0.427 0.000 2.324 324 V HA -0.261 3.851 4.120 -0.014 0.000 0.250 324 V C 2.428 178.321 176.094 -0.334 0.000 1.060 324 V CA 2.405 64.430 62.300 -0.458 0.000 1.042 324 V CB -0.751 30.689 31.823 -0.639 0.000 0.650 324 V HN 0.566 nan 8.190 nan 0.000 0.450 325 S N -0.451 115.089 115.700 -0.266 0.000 2.555 325 S HA -0.058 4.403 4.470 -0.014 0.000 0.230 325 S C 1.828 176.341 174.600 -0.146 0.000 0.978 325 S CA 1.008 59.105 58.200 -0.172 0.000 0.934 325 S CB -0.043 63.082 63.200 -0.125 0.000 0.766 325 S HN 0.603 nan 8.310 nan 0.000 0.533 326 S N 0.904 116.499 115.700 -0.175 0.000 2.539 326 S HA 0.323 4.785 4.470 -0.014 0.000 0.221 326 S C 1.387 175.880 174.600 -0.179 0.000 0.987 326 S CA -0.241 57.876 58.200 -0.138 0.000 0.929 326 S CB 0.047 63.180 63.200 -0.112 0.000 0.832 326 S HN 0.372 nan 8.310 nan 0.000 0.492 327 L N 0.850 121.884 121.223 -0.315 0.000 2.083 327 L HA -0.044 4.288 4.340 -0.014 0.000 0.209 327 L C 2.185 178.890 176.870 -0.276 0.000 1.083 327 L CA 0.929 55.447 54.840 -0.536 0.000 0.752 327 L CB -0.468 40.860 42.059 -1.219 0.000 0.899 327 L HN 0.241 nan 8.230 nan 0.000 0.433 328 S N -0.580 115.068 115.700 -0.085 0.000 2.515 328 S HA -0.111 4.350 4.470 -0.014 0.000 0.231 328 S C 1.580 176.231 174.600 0.084 0.000 0.987 328 S CA 0.733 59.014 58.200 0.136 0.000 0.936 328 S CB -0.134 63.139 63.200 0.121 0.000 0.766 328 S HN 0.446 nan 8.310 nan 0.000 0.528 329 E N 0.519 120.731 120.200 0.020 0.000 2.435 329 E HA 0.115 4.457 4.350 -0.014 0.000 0.195 329 E C -0.090 176.529 176.600 0.031 0.000 1.029 329 E CA 0.026 56.437 56.400 0.019 0.000 0.865 329 E CB 0.087 29.782 29.700 -0.008 0.000 0.833 329 E HN 0.438 nan 8.360 nan 0.000 0.510 330 L N 1.770 123.023 121.223 0.049 0.000 2.439 330 L HA 0.155 4.487 4.340 -0.014 0.000 0.269 330 L C 0.512 177.434 176.870 0.087 0.000 1.179 330 L CA 0.361 55.240 54.840 0.066 0.000 0.828 330 L CB 0.371 42.485 42.059 0.092 0.000 1.106 330 L HN -0.072 nan 8.230 nan 0.000 0.467 331 K N 0.716 121.153 120.400 0.062 0.000 2.395 331 K HA 0.466 4.778 4.320 -0.014 0.000 0.247 331 K C 0.427 177.056 176.600 0.048 0.000 0.973 331 K CA -0.279 56.040 56.287 0.053 0.000 0.828 331 K CB 1.935 34.456 32.500 0.035 0.000 1.272 331 K HN 0.778 nan 8.250 nan 0.000 0.439 332 G N 1.273 110.099 108.800 0.042 0.000 2.160 332 G HA2 -0.190 3.762 3.960 -0.014 0.000 0.251 332 G HA3 -0.190 3.762 3.960 -0.014 0.000 0.251 332 G C -0.092 174.835 174.900 0.045 0.000 1.008 332 G CA -0.189 44.931 45.100 0.035 0.000 0.724 332 G HN 0.351 nan 8.290 nan 0.000 0.514 333 I N 0.671 121.278 120.570 0.062 0.000 2.328 333 I HA 0.600 4.762 4.170 -0.014 0.000 0.287 333 I C 0.209 176.360 176.117 0.058 0.000 1.012 333 I CA -0.762 60.582 61.300 0.074 0.000 1.195 333 I CB 1.289 39.355 38.000 0.111 0.000 1.350 333 I HN 0.330 nan 8.210 nan 0.000 0.464 334 E N 5.840 126.079 120.200 0.066 0.000 2.349 334 E HA 0.173 4.515 4.350 -0.014 0.000 0.290 334 E C -1.798 174.869 176.600 0.111 0.000 0.901 334 E CA -0.629 55.813 56.400 0.070 0.000 0.800 334 E CB 1.844 31.567 29.700 0.038 0.000 1.303 334 E HN 0.412 nan 8.360 nan 0.000 0.397 335 Y N 3.456 123.770 120.300 0.024 0.000 2.465 335 Y HA 0.140 4.682 4.550 -0.013 0.000 0.331 335 Y C 0.289 176.194 175.900 0.009 0.000 1.102 335 Y CA 0.664 58.786 58.100 0.037 0.000 1.358 335 Y CB 0.949 39.460 38.460 0.086 0.000 1.213 335 Y HN 0.611 nan 8.280 nan 0.000 0.525 336 E N 3.490 123.351 120.200 -0.565 0.000 2.603 336 E HA 0.218 4.560 4.350 -0.014 0.000 0.211 336 E C 0.624 176.828 176.600 -0.660 0.000 0.995 336 E CA -0.075 56.053 56.400 -0.453 0.000 0.990 336 E CB 0.619 30.173 29.700 -0.243 0.000 1.036 336 E HN 0.850 nan 8.360 nan 0.000 0.475 337 G N 0.400 108.368 108.800 -1.385 0.000 2.583 337 G HA2 0.262 4.214 3.960 -0.014 0.000 0.280 337 G HA3 0.262 4.214 3.960 -0.014 0.000 0.280 337 G C -0.014 174.544 174.900 -0.569 0.000 1.376 337 G CA -0.387 44.176 45.100 -0.894 0.000 1.043 337 G HN -0.134 nan 8.290 nan 0.000 0.538 338 Q N -1.437 118.239 119.800 -0.206 0.000 2.169 338 Q HA 0.461 4.793 4.340 -0.014 0.000 0.234 338 Q C -0.645 175.274 176.000 -0.136 0.000 0.980 338 Q CA -0.471 55.203 55.803 -0.215 0.000 0.941 338 Q CB 1.173 29.889 28.738 -0.037 0.000 1.199 338 Q HN 0.646 nan 8.270 nan 0.000 0.496 339 Y N -0.495 119.921 120.300 0.193 0.000 3.262 339 Y HA 0.516 5.058 4.550 -0.014 0.000 0.339 339 Y C 0.826 176.726 175.900 0.001 0.000 1.322 339 Y CA -0.989 57.102 58.100 -0.015 0.000 0.880 339 Y CB 0.514 38.904 38.460 -0.116 0.000 1.117 339 Y HN 0.504 nan 8.280 nan 0.000 0.850 340 I N -1.624 119.004 120.570 0.097 0.000 3.002 340 I HA 0.489 4.651 4.170 -0.014 0.000 0.310 340 I C -1.465 174.682 176.117 0.048 0.000 1.087 340 I CA -1.180 60.164 61.300 0.073 0.000 1.017 340 I CB 2.061 40.073 38.000 0.020 0.000 1.226 340 I HN 0.248 nan 8.210 nan 0.000 0.443 341 D N 3.967 124.391 120.400 0.040 0.000 2.390 341 D HA 0.199 4.831 4.640 -0.014 0.000 0.249 341 D C -0.012 176.273 176.300 -0.025 0.000 1.144 341 D CA -0.081 53.928 54.000 0.014 0.000 0.880 341 D CB 1.145 41.957 40.800 0.019 0.000 1.182 341 D HN 0.354 nan 8.370 nan 0.000 0.451 346 E N 4.296 124.527 120.200 0.052 0.000 2.316 346 E HA 0.155 4.497 4.350 -0.014 0.000 0.275 346 E C -1.091 175.569 176.600 0.099 0.000 1.029 346 E CA -0.446 55.997 56.400 0.072 0.000 0.871 346 E CB 0.560 30.282 29.700 0.037 0.000 1.022 346 E HN 0.361 nan 8.360 nan 0.000 0.418 347 F N 6.126 126.085 119.950 0.016 0.000 2.444 347 F HA 0.323 4.841 4.527 -0.014 0.000 0.360 347 F C -0.667 175.144 175.800 0.018 0.000 1.106 347 F CA -0.403 57.607 58.000 0.017 0.000 1.170 347 F CB 0.348 39.364 39.000 0.026 0.000 1.113 347 F HN 0.350 nan 8.300 nan 0.000 0.521 348 I N 9.062 129.245 120.570 -0.645 0.000 2.382 348 I HA 0.301 4.463 4.170 -0.014 0.000 0.285 348 I C -2.083 173.616 176.117 -0.696 0.000 1.007 348 I CA -2.008 59.019 61.300 -0.455 0.000 1.142 348 I CB 1.146 38.997 38.000 -0.248 0.000 1.289 348 I HN 0.453 nan 8.210 nan 0.000 0.453 349 P HA 0.254 nan 4.420 nan 0.000 0.274 349 P C -0.564 176.654 177.300 -0.136 0.000 1.237 349 P CA -0.215 62.737 63.100 -0.247 0.000 0.793 349 P CB 1.474 33.228 31.700 0.090 0.000 0.977 350 S N -0.816 114.838 115.700 -0.077 0.000 2.811 350 S HA 0.355 4.817 4.470 -0.014 0.000 0.311 350 S C 0.999 175.600 174.600 0.001 0.000 1.152 350 S CA 0.009 58.183 58.200 -0.042 0.000 0.864 350 S CB 0.673 63.839 63.200 -0.057 0.000 1.226 350 S HN 0.430 nan 8.310 nan 0.000 0.541 351 S N -0.047 115.653 115.700 0.001 0.000 2.607 351 S HA 0.326 4.788 4.470 -0.014 0.000 0.224 351 S C 0.922 175.530 174.600 0.013 0.000 0.969 351 S CA -0.005 58.203 58.200 0.014 0.000 0.927 351 S CB -1.103 62.102 63.200 0.009 0.000 0.772 351 S HN 1.260 nan 8.310 nan 0.000 0.533 352 A N 3.152 125.975 122.820 0.004 0.000 2.540 352 A HA 0.435 4.747 4.320 -0.014 0.000 0.239 352 A C -2.219 175.370 177.584 0.008 0.000 1.061 352 A CA -1.139 50.899 52.037 0.001 0.000 0.758 352 A CB -0.541 18.454 19.000 -0.008 0.000 0.991 352 A HN 0.288 nan 8.150 nan 0.000 0.502 353 P HA 0.012 nan 4.420 nan 0.000 0.264 353 P C -0.166 177.123 177.300 -0.017 0.000 1.179 353 P CA -0.116 62.983 63.100 -0.001 0.000 0.763 353 P CB 0.234 31.931 31.700 -0.005 0.000 0.806 354 L N 3.430 124.633 121.223 -0.033 0.000 2.499 354 L HA 0.117 4.449 4.340 -0.014 0.000 0.273 354 L C 0.545 177.353 176.870 -0.104 0.000 1.195 354 L CA 1.033 55.819 54.840 -0.090 0.000 0.882 354 L CB -0.624 41.357 42.059 -0.131 0.000 1.133 354 L HN 0.480 nan 8.230 nan 0.000 0.483 355 S N 3.185 118.810 115.700 -0.125 0.000 2.599 355 S HA 0.457 4.918 4.470 -0.014 0.000 0.294 355 S C 0.458 174.949 174.600 -0.182 0.000 1.094 355 S CA -0.858 57.276 58.200 -0.111 0.000 0.931 355 S CB 1.673 64.840 63.200 -0.056 0.000 1.093 355 S HN 0.561 nan 8.310 nan 0.000 0.488 356 Q N 0.991 120.716 119.800 -0.124 0.000 1.993 356 Q HA -0.134 4.198 4.340 -0.014 0.000 0.202 356 Q C 1.125 177.055 176.000 -0.118 0.000 0.984 356 Q CA 1.985 57.712 55.803 -0.127 0.000 0.837 356 Q CB -0.581 28.201 28.738 0.072 0.000 0.902 356 Q HN 0.763 nan 8.270 nan 0.000 0.423 357 D N 0.051 120.456 120.400 0.009 0.000 2.144 357 D HA -0.136 4.496 4.640 -0.014 0.000 0.199 357 D C 1.968 178.258 176.300 -0.016 0.000 0.984 357 D CA 0.769 54.807 54.000 0.063 0.000 0.834 357 D CB -0.033 40.802 40.800 0.057 0.000 0.955 357 D HN 0.109 nan 8.370 nan 0.000 0.465 358 R N 0.367 120.832 120.500 -0.060 0.000 2.092 358 R HA -0.066 4.266 4.340 -0.014 0.000 0.231 358 R C 2.322 178.445 176.300 -0.296 0.000 1.119 358 R CA 0.169 56.259 56.100 -0.016 0.000 0.970 358 R CB -1.002 29.344 30.300 0.077 0.000 0.864 358 R HN 0.228 nan 8.270 nan 0.000 0.440 359 L N 0.166 121.062 121.223 -0.545 0.000 1.990 359 L HA -0.154 4.177 4.340 -0.014 0.000 0.213 359 L C 1.802 178.066 176.870 -1.011 0.000 1.072 359 L CA 1.792 56.021 54.840 -1.018 0.000 0.755 359 L CB -0.737 40.527 42.059 -1.325 0.000 0.889 359 L HN 0.169 nan 8.230 nan 0.000 0.432 360 W N -0.628 120.449 121.300 -0.372 0.000 2.467 360 W HA -0.060 4.591 4.660 -0.016 0.000 0.275 360 W C 2.562 178.910 176.519 -0.285 0.000 1.239 360 W CA 0.558 57.698 57.345 -0.341 0.000 1.266 360 W CB -0.325 28.974 29.460 -0.269 0.000 1.112 360 W HN 0.232 nan 8.180 nan 0.000 0.576 361 Q N 0.584 120.305 119.800 -0.133 0.000 2.084 361 Q HA -0.169 4.163 4.340 -0.014 0.000 0.202 361 Q C 2.529 178.244 176.000 -0.476 0.000 0.978 361 Q CA 1.793 57.499 55.803 -0.162 0.000 0.844 361 Q CB -0.594 28.148 28.738 0.007 0.000 0.898 361 Q HN 0.322 nan 8.270 nan 0.000 0.426 362 A N 0.335 122.570 122.820 -0.975 0.000 1.877 362 A HA -0.152 4.160 4.320 -0.014 0.000 0.216 362 A C 2.349 179.745 177.584 -0.312 0.000 1.186 362 A CA 1.434 52.825 52.037 -1.077 0.000 0.620 362 A CB -0.818 17.597 19.000 -0.975 0.000 0.822 362 A HN 0.214 nan 8.150 nan 0.000 0.443 363 V N 0.075 119.870 119.914 -0.199 0.000 2.287 363 V HA -0.306 3.806 4.120 -0.014 0.000 0.248 363 V C 2.547 178.656 176.094 0.025 0.000 1.053 363 V CA 2.440 64.744 62.300 0.007 0.000 1.027 363 V CB -0.782 31.026 31.823 -0.025 0.000 0.646 363 V HN 0.785 nan 8.190 nan 0.000 0.447 364 E N 0.632 120.831 120.200 -0.002 0.000 2.085 364 E HA -0.249 4.093 4.350 -0.014 0.000 0.194 364 E C 2.328 178.955 176.600 0.045 0.000 0.994 364 E CA 1.741 58.168 56.400 0.046 0.000 0.801 364 E CB -0.155 29.583 29.700 0.064 0.000 0.743 364 E HN 0.751 nan 8.360 nan 0.000 0.453 365 S N -0.034 115.669 115.700 0.006 0.000 2.402 365 S HA -0.085 4.377 4.470 -0.014 0.000 0.229 365 S C 1.932 176.561 174.600 0.048 0.000 1.021 365 S CA 0.779 59.004 58.200 0.041 0.000 0.974 365 S CB -0.226 63.017 63.200 0.071 0.000 0.800 365 S HN 0.317 nan 8.310 nan 0.000 0.484 366 L N 1.888 123.133 121.223 0.037 0.000 2.477 366 L HA 0.156 4.488 4.340 -0.014 0.000 0.220 366 L C 1.049 177.953 176.870 0.057 0.000 1.106 366 L CA 0.305 55.172 54.840 0.046 0.000 0.851 366 L CB -0.737 41.342 42.059 0.033 0.000 0.994 366 L HN 0.408 nan 8.230 nan 0.000 0.462 367 T N -0.801 113.799 114.554 0.077 0.000 2.946 367 T HA 0.146 4.488 4.350 -0.014 0.000 0.311 367 T C -0.028 174.712 174.700 0.066 0.000 1.063 367 T CA -0.196 61.959 62.100 0.091 0.000 1.139 367 T CB 0.965 69.899 68.868 0.110 0.000 0.994 367 T HN 0.171 nan 8.240 nan 0.000 0.547 368 Q N 1.078 120.913 119.800 0.059 0.000 2.378 368 Q HA 0.531 4.863 4.340 -0.014 0.000 0.276 368 Q C -0.044 175.978 176.000 0.037 0.000 1.083 368 Q CA -1.093 54.735 55.803 0.041 0.000 0.856 368 Q CB 1.812 30.569 28.738 0.031 0.000 1.383 368 Q HN 0.732 nan 8.270 nan 0.000 0.458 369 S N 1.772 117.489 115.700 0.028 0.000 2.580 369 S HA 0.007 4.469 4.470 -0.014 0.000 0.266 369 S C 0.115 174.726 174.600 0.018 0.000 1.354 369 S CA -0.206 58.007 58.200 0.020 0.000 1.008 369 S CB 0.037 63.246 63.200 0.016 0.000 0.898 369 S HN 0.744 nan 8.310 nan 0.000 0.555 370 N N 0.774 119.481 118.700 0.012 0.000 2.735 370 N HA -0.153 4.579 4.740 -0.014 0.000 0.248 370 N C -0.693 174.822 175.510 0.008 0.000 1.083 370 N CA 0.936 53.993 53.050 0.011 0.000 0.703 370 N CB -1.205 37.293 38.487 0.018 0.000 1.005 370 N HN 0.686 nan 8.380 nan 0.000 0.550 371 E N -0.428 119.771 120.200 -0.002 0.000 2.299 371 E HA 0.516 4.858 4.350 -0.014 0.000 0.265 371 E C -0.495 176.052 176.600 -0.088 0.000 0.911 371 E CA -0.609 55.778 56.400 -0.022 0.000 0.789 371 E CB 1.524 31.238 29.700 0.024 0.000 1.246 371 E HN -0.039 nan 8.360 nan 0.000 0.427 372 T N 1.880 116.299 114.554 -0.227 0.000 2.815 372 T HA 0.421 4.763 4.350 -0.014 0.000 0.289 372 T C -0.123 174.458 174.700 -0.199 0.000 1.000 372 T CA -0.509 61.394 62.100 -0.328 0.000 0.958 372 T CB 0.287 68.650 68.868 -0.841 0.000 0.944 372 T HN 0.256 nan 8.240 nan 0.000 0.442 373 I N 3.588 124.127 120.570 -0.052 0.000 2.325 373 I HA 0.381 4.543 4.170 -0.014 0.000 0.291 373 I C -0.268 175.704 176.117 -0.242 0.000 1.019 373 I CA -0.781 60.532 61.300 0.020 0.000 1.302 373 I CB 1.176 39.303 38.000 0.212 0.000 1.401 373 I HN 0.245 nan 8.210 nan 0.000 0.485 374 V N 5.851 125.698 119.914 -0.113 0.000 2.417 374 V HA 0.741 4.852 4.120 -0.014 0.000 0.291 374 V C 0.091 176.152 176.094 -0.055 0.000 1.024 374 V CA -0.535 61.653 62.300 -0.188 0.000 0.861 374 V CB 1.474 33.273 31.823 -0.040 0.000 0.985 374 V HN 0.833 nan 8.190 nan 0.000 0.436 375 A N 3.285 126.013 122.820 -0.153 0.000 2.359 375 A HA 0.796 5.108 4.320 -0.014 0.000 0.303 375 A C -0.699 176.960 177.584 0.125 0.000 1.066 375 A CA -0.585 51.488 52.037 0.061 0.000 0.730 375 A CB 1.577 20.597 19.000 0.033 0.000 1.211 375 A HN 0.782 nan 8.150 nan 0.000 0.439 376 E N 1.554 121.825 120.200 0.119 0.000 2.313 376 E HA 0.338 4.680 4.350 -0.014 0.000 0.272 376 E C -0.138 176.481 176.600 0.033 0.000 1.038 376 E CA -0.289 56.148 56.400 0.063 0.000 0.863 376 E CB 0.548 30.281 29.700 0.055 0.000 1.060 376 E HN 0.531 nan 8.360 nan 0.000 0.402 377 Q N 1.631 121.377 119.800 -0.090 0.000 2.283 377 Q HA 0.357 4.688 4.340 -0.014 0.000 0.301 377 Q C 0.412 176.427 176.000 0.025 0.000 1.063 377 Q CA 1.292 57.011 55.803 -0.139 0.000 0.952 377 Q CB 0.349 28.957 28.738 -0.217 0.000 1.166 377 Q HN 0.803 nan 8.270 nan 0.000 0.381 378 G N 0.743 109.639 108.800 0.159 0.000 2.331 378 G HA2 -0.210 3.742 3.960 -0.014 0.000 0.479 378 G HA3 -0.210 3.742 3.960 -0.014 0.000 0.479 378 G C 0.630 175.721 174.900 0.318 0.000 1.262 378 G CA 0.131 45.375 45.100 0.239 0.000 1.029 378 G HN 0.550 nan 8.290 nan 0.000 0.487 379 T N -1.752 112.957 114.554 0.258 0.000 2.737 379 T HA -0.118 4.224 4.350 -0.014 0.000 0.269 379 T C 2.409 177.209 174.700 0.166 0.000 1.040 379 T CA 2.963 65.219 62.100 0.259 0.000 1.142 379 T CB -0.576 68.448 68.868 0.261 0.000 0.861 379 T HN 0.977 nan 8.240 nan 0.000 0.456 380 S N 1.054 116.857 115.700 0.171 0.000 2.353 380 S HA -0.013 4.449 4.470 -0.014 0.000 0.222 380 S C 1.453 175.871 174.600 -0.303 0.000 1.035 380 S CA 1.437 59.652 58.200 0.026 0.000 1.025 380 S CB -0.702 62.635 63.200 0.228 0.000 0.902 380 S HN 0.589 nan 8.310 nan 0.000 0.440 381 F N 1.383 121.161 119.950 -0.287 0.000 2.113 381 F HA -0.032 4.486 4.527 -0.015 0.000 0.297 381 F C 1.719 177.201 175.800 -0.530 0.000 1.103 381 F CA 1.267 59.027 58.000 -0.400 0.000 1.248 381 F CB -0.475 38.202 39.000 -0.538 0.000 0.999 381 F HN 0.153 nan 8.300 nan 0.000 0.475 382 F N 0.201 120.035 119.950 -0.194 0.000 2.234 382 F HA 0.003 4.522 4.527 -0.015 0.000 0.299 382 F C 2.607 178.073 175.800 -0.556 0.000 1.087 382 F CA 1.050 58.864 58.000 -0.310 0.000 1.340 382 F CB -1.158 37.793 39.000 -0.082 0.000 1.031 382 F HN 0.066 nan 8.300 nan 0.000 0.500 383 G N -0.388 107.976 108.800 -0.726 0.000 2.404 383 G HA2 -0.113 3.839 3.960 -0.014 0.000 0.214 383 G HA3 -0.113 3.839 3.960 -0.014 0.000 0.214 383 G C 1.830 175.869 174.900 -1.434 0.000 1.189 383 G CA 0.656 44.866 45.100 -1.483 0.000 0.789 383 G HN 0.391 nan 8.290 nan 0.000 0.533 384 A N 1.173 123.088 122.820 -1.508 0.000 2.066 384 A HA 0.089 4.401 4.320 -0.014 0.000 0.218 384 A C 2.620 179.876 177.584 -0.547 0.000 1.157 384 A CA 2.039 53.562 52.037 -0.857 0.000 0.670 384 A CB -0.519 18.112 19.000 -0.616 0.000 0.804 384 A HN 0.665 nan 8.150 nan 0.000 0.453 385 S N -0.072 115.178 115.700 -0.750 0.000 2.447 385 S HA -0.132 4.330 4.470 -0.014 0.000 0.233 385 S C 1.585 175.780 174.600 -0.676 0.000 1.006 385 S CA 1.699 59.343 58.200 -0.926 0.000 0.957 385 S CB -1.025 61.465 63.200 -1.183 0.000 0.773 385 S HN 0.737 nan 8.310 nan 0.000 0.507 386 T N -0.735 113.518 114.554 -0.502 0.000 3.086 386 T HA 0.430 4.772 4.350 -0.014 0.000 0.250 386 T C 0.514 175.016 174.700 -0.329 0.000 1.074 386 T CA -0.521 61.346 62.100 -0.388 0.000 0.988 386 T CB -0.607 68.100 68.868 -0.268 0.000 0.988 386 T HN 0.367 nan 8.240 nan 0.000 0.530 387 I N 2.064 122.467 120.570 -0.278 0.000 2.648 387 I HA 0.189 4.351 4.170 -0.014 0.000 0.284 387 I C -0.166 175.871 176.117 -0.134 0.000 1.153 387 I CA -0.551 60.681 61.300 -0.113 0.000 1.426 387 I CB 0.373 38.340 38.000 -0.055 0.000 1.381 387 I HN 0.112 nan 8.210 nan 0.000 0.571 388 F N 6.598 126.548 119.950 0.001 0.000 2.471 388 F HA 0.238 4.757 4.527 -0.014 0.000 0.365 388 F C 0.422 176.227 175.800 0.009 0.000 1.095 388 F CA -0.208 57.820 58.000 0.045 0.000 1.174 388 F CB 0.306 39.352 39.000 0.075 0.000 1.105 388 F HN 0.207 nan 8.300 nan 0.000 0.535 389 L N 4.189 125.463 121.223 0.085 0.000 2.417 389 L HA 0.205 4.537 4.340 -0.014 0.000 0.268 389 L C 0.458 177.360 176.870 0.053 0.000 1.158 389 L CA -0.649 54.217 54.840 0.043 0.000 0.819 389 L CB 0.487 42.530 42.059 -0.026 0.000 1.112 389 L HN 0.483 nan 8.230 nan 0.000 0.458 390 K N 0.890 121.318 120.400 0.047 0.000 2.140 390 K HA 0.177 4.489 4.320 -0.014 0.000 0.237 390 K C 0.080 176.683 176.600 0.006 0.000 1.045 390 K CA -0.269 56.038 56.287 0.033 0.000 0.896 390 K CB 0.511 33.032 32.500 0.036 0.000 1.122 390 K HN 0.673 nan 8.250 nan 0.000 0.503 391 S N 1.265 116.967 115.700 0.004 0.000 2.558 391 S HA 0.012 4.474 4.470 -0.014 0.000 0.288 391 S C 0.397 174.993 174.600 -0.006 0.000 1.318 391 S CA -0.056 58.140 58.200 -0.007 0.000 1.056 391 S CB 0.089 63.288 63.200 -0.001 0.000 0.853 391 S HN 0.659 nan 8.310 nan 0.000 0.505 392 N N 0.738 119.430 118.700 -0.014 0.000 2.693 392 N HA -0.196 4.536 4.740 -0.014 0.000 0.249 392 N C -0.844 174.661 175.510 -0.009 0.000 1.119 392 N CA 1.153 54.197 53.050 -0.010 0.000 0.717 392 N CB -1.543 36.944 38.487 -0.000 0.000 1.071 392 N HN 0.656 nan 8.380 nan 0.000 0.555 393 S N -0.385 115.307 115.700 -0.014 0.000 2.593 393 S HA 0.695 5.157 4.470 -0.014 0.000 0.297 393 S C 0.224 174.820 174.600 -0.007 0.000 1.112 393 S CA -0.755 57.441 58.200 -0.008 0.000 1.043 393 S CB 2.151 65.357 63.200 0.010 0.000 1.054 393 S HN 0.275 nan 8.310 nan 0.000 0.516 394 R N 0.354 120.856 120.500 0.003 0.000 2.930 394 R HA 0.644 4.976 4.340 -0.014 0.000 0.257 394 R C -1.673 174.696 176.300 0.115 0.000 1.107 394 R CA -0.750 55.373 56.100 0.038 0.000 0.999 394 R CB 1.478 31.784 30.300 0.009 0.000 1.209 394 R HN 0.571 nan 8.270 nan 0.000 0.486 395 F N 0.900 120.836 119.950 -0.024 0.000 2.581 395 F HA 0.555 5.073 4.527 -0.014 0.000 0.311 395 F C -1.351 174.485 175.800 0.061 0.000 1.113 395 F CA -0.693 57.312 58.000 0.009 0.000 0.935 395 F CB 1.478 40.471 39.000 -0.012 0.000 1.232 395 F HN 0.257 nan 8.300 nan 0.000 0.445 396 I N 4.884 125.256 120.570 -0.331 0.000 2.410 396 I HA 0.649 4.811 4.170 -0.014 0.000 0.286 396 I C -0.152 175.836 176.117 -0.215 0.000 1.009 396 I CA -0.560 60.686 61.300 -0.090 0.000 1.111 396 I CB 1.620 39.626 38.000 0.010 0.000 1.262 396 I HN 0.732 nan 8.210 nan 0.000 0.443 397 G N 3.984 112.890 108.800 0.176 0.000 2.660 397 G HA2 0.467 4.419 3.960 -0.014 0.000 0.294 397 G HA3 0.467 4.419 3.960 -0.014 0.000 0.294 397 G C -1.350 173.612 174.900 0.102 0.000 1.369 397 G CA -0.325 44.943 45.100 0.280 0.000 0.912 397 G HN 0.512 nan 8.290 nan 0.000 0.479 398 Q N 1.063 120.745 119.800 -0.197 0.000 2.831 398 Q HA 0.266 4.598 4.340 -0.014 0.000 0.366 398 Q C -1.808 173.877 176.000 -0.525 0.000 0.899 398 Q CA -1.779 53.819 55.803 -0.342 0.000 0.987 398 Q CB 1.701 30.131 28.738 -0.513 0.000 1.382 398 Q HN 0.387 nan 8.270 nan 0.000 0.403 399 P HA -0.115 nan 4.420 nan 0.000 0.225 399 P C 1.006 177.945 177.300 -0.602 0.000 1.156 399 P CA 0.411 63.072 63.100 -0.732 0.000 0.787 399 P CB 0.438 31.787 31.700 -0.585 0.000 0.802 400 L N -1.123 119.635 121.223 -0.776 0.000 2.071 400 L HA 0.112 4.444 4.340 -0.014 0.000 0.201 400 L C 2.435 179.160 176.870 -0.241 0.000 1.076 400 L CA 1.551 56.035 54.840 -0.594 0.000 0.755 400 L CB -1.634 39.921 42.059 -0.840 0.000 0.915 400 L HN -0.058 nan 8.230 nan 0.000 0.445 401 W N 0.851 121.910 121.300 -0.401 0.000 2.407 401 W HA 0.025 4.678 4.660 -0.011 0.000 0.305 401 W C 1.211 177.562 176.519 -0.280 0.000 1.196 401 W CA 1.263 58.443 57.345 -0.275 0.000 1.311 401 W CB -0.075 29.242 29.460 -0.238 0.000 1.135 401 W HN 0.441 nan 8.180 nan 0.000 0.514 402 G N 1.672 110.269 108.800 -0.339 0.000 2.295 402 G HA2 -0.286 3.665 3.960 -0.014 0.000 0.287 402 G HA3 -0.286 3.665 3.960 -0.014 0.000 0.287 402 G C -0.129 174.525 174.900 -0.411 0.000 1.055 402 G CA 0.535 45.387 45.100 -0.412 0.000 0.922 402 G HN 0.277 nan 8.290 nan 0.000 0.503 403 S N 0.128 115.619 115.700 -0.347 0.000 2.400 403 S HA 0.547 5.008 4.470 -0.014 0.000 0.295 403 S C 1.129 175.641 174.600 -0.147 0.000 1.113 403 S CA -0.427 57.631 58.200 -0.237 0.000 1.064 403 S CB -0.251 62.938 63.200 -0.019 0.000 0.990 403 S HN 1.105 nan 8.310 nan 0.000 0.502 404 I N 2.763 123.254 120.570 -0.131 0.000 2.710 404 I HA 0.555 4.716 4.170 -0.014 0.000 0.286 404 I C 1.271 177.384 176.117 -0.005 0.000 1.181 404 I CA 0.559 61.815 61.300 -0.073 0.000 1.430 404 I CB 0.075 38.029 38.000 -0.077 0.000 1.367 404 I HN 0.776 nan 8.210 nan 0.000 0.577 405 G N 4.187 112.991 108.800 0.006 0.000 2.279 405 G HA2 -0.389 3.563 3.960 -0.014 0.000 0.223 405 G HA3 -0.389 3.563 3.960 -0.014 0.000 0.223 405 G C 0.588 175.440 174.900 -0.080 0.000 1.015 405 G CA 0.507 45.645 45.100 0.063 0.000 0.621 405 G HN 0.967 nan 8.290 nan 0.000 0.506 406 Y N 2.840 122.808 120.300 -0.552 0.000 2.096 406 Y HA -0.261 4.280 4.550 -0.015 0.000 0.278 406 Y C 3.050 178.732 175.900 -0.363 0.000 1.192 406 Y CA 3.939 61.459 58.100 -0.968 0.000 1.143 406 Y CB -0.629 37.360 38.460 -0.784 0.000 0.963 406 Y HN 0.598 nan 8.280 nan 0.000 0.505 407 T N -1.927 112.447 114.554 -0.300 0.000 2.915 407 T HA -0.217 4.125 4.350 -0.014 0.000 0.269 407 T C 1.687 176.294 174.700 -0.155 0.000 1.071 407 T CA 1.119 63.047 62.100 -0.287 0.000 1.132 407 T CB -1.050 67.803 68.868 -0.025 0.000 0.878 407 T HN 0.420 nan 8.240 nan 0.000 0.479 408 F N 3.927 123.764 119.950 -0.188 0.000 2.074 408 F HA 0.210 4.730 4.527 -0.012 0.000 0.293 408 F C -1.119 174.611 175.800 -0.117 0.000 1.116 408 F CA 0.003 57.952 58.000 -0.087 0.000 1.212 408 F CB -1.280 37.730 39.000 0.017 0.000 0.998 408 F HN 0.105 nan 8.300 nan 0.000 0.471 409 P HA -0.146 nan 4.420 nan 0.000 0.216 409 P C 1.597 178.640 177.300 -0.428 0.000 1.150 409 P CA 2.489 65.319 63.100 -0.450 0.000 0.837 409 P CB -0.402 31.164 31.700 -0.223 0.000 0.786 410 A N 0.145 122.661 122.820 -0.508 0.000 1.902 410 A HA -0.140 4.172 4.320 -0.014 0.000 0.217 410 A C 2.353 179.760 177.584 -0.294 0.000 1.181 410 A CA 2.221 53.940 52.037 -0.530 0.000 0.623 410 A CB -1.645 16.678 19.000 -1.129 0.000 0.818 410 A HN 0.195 nan 8.150 nan 0.000 0.443 411 A N -0.143 122.542 122.820 -0.224 0.000 1.908 411 A HA -0.086 4.226 4.320 -0.014 0.000 0.218 411 A C 2.173 179.664 177.584 -0.156 0.000 1.181 411 A CA 1.605 53.603 52.037 -0.064 0.000 0.627 411 A CB -0.655 18.366 19.000 0.035 0.000 0.818 411 A HN 0.498 nan 8.150 nan 0.000 0.445 412 L N -0.881 120.205 121.223 -0.229 0.000 2.056 412 L HA -0.104 4.228 4.340 -0.014 0.000 0.207 412 L C 2.846 179.591 176.870 -0.209 0.000 1.078 412 L CA 1.095 55.791 54.840 -0.239 0.000 0.749 412 L CB -0.991 40.879 42.059 -0.314 0.000 0.901 412 L HN 0.484 nan 8.230 nan 0.000 0.433 413 G N -0.943 107.706 108.800 -0.252 0.000 2.421 413 G HA2 -0.293 3.659 3.960 -0.014 0.000 0.216 413 G HA3 -0.293 3.659 3.960 -0.014 0.000 0.216 413 G C 1.814 176.732 174.900 0.031 0.000 1.171 413 G CA 0.994 46.001 45.100 -0.155 0.000 0.775 413 G HN 0.338 nan 8.290 nan 0.000 0.543 414 S N -0.125 115.536 115.700 -0.065 0.000 2.368 414 S HA -0.191 4.271 4.470 -0.014 0.000 0.225 414 S C 2.401 176.838 174.600 -0.271 0.000 1.030 414 S CA 2.093 60.273 58.200 -0.033 0.000 0.999 414 S CB -0.289 63.015 63.200 0.173 0.000 0.844 414 S HN 0.411 nan 8.310 nan 0.000 0.459 415 Q N 0.890 120.297 119.800 -0.655 0.000 2.119 415 Q HA 0.060 4.392 4.340 -0.014 0.000 0.201 415 Q C 1.829 177.700 176.000 -0.215 0.000 0.972 415 Q CA 1.731 57.092 55.803 -0.736 0.000 0.847 415 Q CB -0.469 27.912 28.738 -0.595 0.000 0.903 415 Q HN 0.709 nan 8.270 nan 0.000 0.433 416 I N 0.050 120.581 120.570 -0.064 0.000 2.315 416 I HA -0.250 3.912 4.170 -0.014 0.000 0.248 416 I C 2.185 178.360 176.117 0.096 0.000 1.117 416 I CA 0.938 62.294 61.300 0.094 0.000 1.404 416 I CB -0.477 37.686 38.000 0.272 0.000 1.071 416 I HN 0.289 nan 8.210 nan 0.000 0.419 417 A N -0.574 122.244 122.820 -0.004 0.000 1.902 417 A HA -0.206 4.106 4.320 -0.014 0.000 0.217 417 A C 1.144 178.655 177.584 -0.122 0.000 1.181 417 A CA 1.663 53.536 52.037 -0.273 0.000 0.623 417 A CB -0.201 18.483 19.000 -0.527 0.000 0.818 417 A HN 0.386 nan 8.150 nan 0.000 0.443 418 D N -1.320 119.057 120.400 -0.037 0.000 2.389 418 D HA 0.281 4.913 4.640 -0.014 0.000 0.256 418 D C 0.470 176.801 176.300 0.052 0.000 1.239 418 D CA -0.450 53.565 54.000 0.025 0.000 0.925 418 D CB 0.648 41.488 40.800 0.067 0.000 1.145 418 D HN -0.091 nan 8.370 nan 0.000 0.542 419 K N 1.480 121.900 120.400 0.032 0.000 2.360 419 K HA -0.070 4.242 4.320 -0.014 0.000 0.201 419 K C 0.829 177.462 176.600 0.055 0.000 1.046 419 K CA 0.792 57.101 56.287 0.036 0.000 0.945 419 K CB 0.347 32.865 32.500 0.031 0.000 0.750 419 K HN 0.589 nan 8.250 nan 0.000 0.464 420 E N 0.202 120.437 120.200 0.058 0.000 2.474 420 E HA 0.013 4.355 4.350 -0.014 0.000 0.195 420 E C -0.066 176.574 176.600 0.067 0.000 1.039 420 E CA -0.117 56.315 56.400 0.054 0.000 0.881 420 E CB 0.522 30.245 29.700 0.039 0.000 0.970 420 E HN -0.075 nan 8.360 nan 0.000 0.486 421 S N 1.328 117.091 115.700 0.105 0.000 2.448 421 S HA 0.305 4.767 4.470 -0.014 0.000 0.320 421 S C -0.301 174.410 174.600 0.186 0.000 1.071 421 S CA -0.813 57.449 58.200 0.103 0.000 1.113 421 S CB 0.559 63.805 63.200 0.077 0.000 0.972 421 S HN 0.008 nan 8.310 nan 0.000 0.465 422 R N 3.588 124.155 120.500 0.111 0.000 2.351 422 R HA 0.208 4.539 4.340 -0.014 0.000 0.318 422 R C -0.916 175.462 176.300 0.129 0.000 1.055 422 R CA 0.175 56.355 56.100 0.133 0.000 0.968 422 R CB -0.219 30.122 30.300 0.068 0.000 0.974 422 R HN 0.657 nan 8.270 nan 0.000 0.439 423 H N 3.842 122.927 119.070 0.026 0.000 2.580 423 H HA 0.291 4.838 4.556 -0.014 0.000 0.322 423 H C -0.456 174.885 175.328 0.021 0.000 1.082 423 H CA -0.204 55.859 56.048 0.025 0.000 1.383 423 H CB 0.798 30.569 29.762 0.014 0.000 1.450 423 H HN 0.376 nan 8.280 nan 0.000 0.505 424 L N 4.439 125.715 121.223 0.088 0.000 2.319 424 L HA 0.263 4.594 4.340 -0.014 0.000 0.281 424 L C -0.883 175.980 176.870 -0.012 0.000 1.005 424 L CA -0.910 53.958 54.840 0.047 0.000 0.828 424 L CB 1.194 43.345 42.059 0.153 0.000 1.227 424 L HN 0.310 nan 8.230 nan 0.000 0.415 425 L N 3.975 125.135 121.223 -0.106 0.000 2.295 425 L HA 0.565 4.897 4.340 -0.014 0.000 0.285 425 L C -1.250 175.477 176.870 -0.239 0.000 1.035 425 L CA 0.287 55.085 54.840 -0.071 0.000 0.806 425 L CB 1.024 43.088 42.059 0.008 0.000 1.214 425 L HN 0.209 nan 8.230 nan 0.000 0.426 426 F N 6.685 126.736 119.950 0.167 0.000 2.403 426 F HA 0.563 5.082 4.527 -0.015 0.000 0.355 426 F C -0.086 175.770 175.800 0.094 0.000 1.119 426 F CA -0.370 57.746 58.000 0.195 0.000 1.007 426 F CB 1.351 40.526 39.000 0.291 0.000 1.194 426 F HN 0.352 nan 8.300 nan 0.000 0.443 427 I N 2.016 122.670 120.570 0.140 0.000 2.582 427 I HA 0.704 4.866 4.170 -0.014 0.000 0.292 427 I C 0.114 176.216 176.117 -0.024 0.000 1.066 427 I CA -0.501 60.821 61.300 0.036 0.000 1.053 427 I CB 1.601 39.572 38.000 -0.049 0.000 1.241 427 I HN 0.612 nan 8.210 nan 0.000 0.421 428 G N 3.884 112.680 108.800 -0.008 0.000 2.539 428 G HA2 0.108 4.060 3.960 -0.014 0.000 0.258 428 G HA3 0.108 4.060 3.960 -0.014 0.000 0.258 428 G C 0.614 175.403 174.900 -0.185 0.000 1.202 428 G CA 0.135 45.203 45.100 -0.055 0.000 0.851 428 G HN 0.807 nan 8.290 nan 0.000 0.556 429 D N 0.646 120.869 120.400 -0.295 0.000 2.104 429 D HA -0.142 4.490 4.640 -0.014 0.000 0.194 429 D C 2.243 178.361 176.300 -0.304 0.000 0.994 429 D CA 1.610 55.305 54.000 -0.508 0.000 0.830 429 D CB -1.048 39.414 40.800 -0.563 0.000 0.959 429 D HN 0.486 nan 8.370 nan 0.000 0.452 430 G N -0.011 108.706 108.800 -0.137 0.000 2.418 430 G HA2 -0.253 3.699 3.960 -0.014 0.000 0.217 430 G HA3 -0.253 3.699 3.960 -0.014 0.000 0.217 430 G C 1.846 176.812 174.900 0.109 0.000 1.158 430 G CA 1.229 46.352 45.100 0.039 0.000 0.771 430 G HN 0.390 nan 8.290 nan 0.000 0.545 431 S N 0.219 115.952 115.700 0.055 0.000 2.371 431 S HA -0.047 4.414 4.470 -0.014 0.000 0.224 431 S C 2.135 176.753 174.600 0.031 0.000 1.029 431 S CA 0.884 59.111 58.200 0.044 0.000 0.978 431 S CB -0.266 62.948 63.200 0.024 0.000 0.833 431 S HN 0.256 nan 8.310 nan 0.000 0.466 432 L N 2.317 123.512 121.223 -0.047 0.000 2.079 432 L HA -0.148 4.184 4.340 -0.014 0.000 0.210 432 L C 2.112 179.028 176.870 0.077 0.000 1.081 432 L CA 1.776 56.598 54.840 -0.031 0.000 0.752 432 L CB -0.736 41.229 42.059 -0.157 0.000 0.896 432 L HN 0.284 nan 8.230 nan 0.000 0.433 433 Q N -0.977 118.793 119.800 -0.051 0.000 2.291 433 Q HA -0.184 4.148 4.340 -0.014 0.000 0.206 433 Q C 2.050 178.198 176.000 0.247 0.000 0.976 433 Q CA 1.369 57.165 55.803 -0.012 0.000 0.875 433 Q CB -0.189 28.346 28.738 -0.338 0.000 0.927 433 Q HN 0.488 nan 8.270 nan 0.000 0.450 434 L N -0.505 120.837 121.223 0.199 0.000 2.240 434 L HA -0.059 4.272 4.340 -0.014 0.000 0.211 434 L C 1.853 178.887 176.870 0.272 0.000 1.106 434 L CA 1.496 56.472 54.840 0.227 0.000 0.793 434 L CB 0.119 42.295 42.059 0.194 0.000 0.927 434 L HN 0.224 nan 8.230 nan 0.000 0.446 435 T N -6.550 108.193 114.554 0.315 0.000 3.332 435 T HA 0.111 4.452 4.350 -0.014 0.000 0.304 435 T C 1.176 176.159 174.700 0.472 0.000 0.971 435 T CA 0.197 62.512 62.100 0.358 0.000 0.954 435 T CB -0.231 68.863 68.868 0.376 0.000 1.175 435 T HN -0.120 nan 8.240 nan 0.000 0.519 436 V N 2.619 122.800 119.914 0.445 0.000 2.568 436 V HA -0.219 3.893 4.120 -0.014 0.000 0.253 436 V C 2.658 179.004 176.094 0.419 0.000 1.072 436 V CA 2.520 65.075 62.300 0.425 0.000 1.084 436 V CB -0.433 31.654 31.823 0.439 0.000 0.676 436 V HN 0.745 nan 8.190 nan 0.000 0.469 437 Q N -0.903 119.141 119.800 0.407 0.000 2.364 437 Q HA -0.181 4.151 4.340 -0.014 0.000 0.207 437 Q C 1.432 177.620 176.000 0.312 0.000 0.970 437 Q CA 1.255 57.315 55.803 0.428 0.000 0.888 437 Q CB -0.533 28.374 28.738 0.282 0.000 0.951 437 Q HN 0.587 nan 8.270 nan 0.000 0.469 438 E N 0.956 121.288 120.200 0.220 0.000 2.516 438 E HA -0.030 4.312 4.350 -0.014 0.000 0.199 438 E C 1.754 178.368 176.600 0.024 0.000 1.069 438 E CA -0.004 56.398 56.400 0.003 0.000 0.876 438 E CB -0.210 29.322 29.700 -0.280 0.000 0.843 438 E HN 0.244 nan 8.360 nan 0.000 0.530 439 L N 0.875 122.245 121.223 0.244 0.000 2.081 439 L HA -0.107 4.225 4.340 -0.014 0.000 0.212 439 L C 2.031 178.953 176.870 0.086 0.000 1.080 439 L CA 2.151 57.057 54.840 0.110 0.000 0.754 439 L CB -0.960 40.891 42.059 -0.346 0.000 0.893 439 L HN 0.165 nan 8.230 nan 0.000 0.433 440 G N -0.368 108.564 108.800 0.219 0.000 2.446 440 G HA2 -0.268 3.684 3.960 -0.014 0.000 0.217 440 G HA3 -0.268 3.684 3.960 -0.014 0.000 0.217 440 G C 1.574 176.504 174.900 0.050 0.000 1.168 440 G CA 0.828 46.018 45.100 0.150 0.000 0.771 440 G HN 0.413 nan 8.290 nan 0.000 0.551 441 L N 1.973 123.209 121.223 0.021 0.000 2.012 441 L HA -0.138 4.193 4.340 -0.014 0.000 0.210 441 L C 2.982 179.835 176.870 -0.029 0.000 1.073 441 L CA 3.018 57.844 54.840 -0.023 0.000 0.748 441 L CB -1.168 40.855 42.059 -0.061 0.000 0.891 441 L HN 0.435 nan 8.230 nan 0.000 0.431 442 S N -0.200 115.478 115.700 -0.036 0.000 2.383 442 S HA -0.205 4.257 4.470 -0.014 0.000 0.229 442 S C 2.038 176.631 174.600 -0.011 0.000 1.030 442 S CA 1.497 59.683 58.200 -0.024 0.000 1.002 442 S CB -0.785 62.420 63.200 0.008 0.000 0.829 442 S HN 0.533 nan 8.310 nan 0.000 0.467 443 I N 1.548 122.111 120.570 -0.011 0.000 2.193 443 I HA -0.075 4.087 4.170 -0.014 0.000 0.240 443 I C 3.053 179.165 176.117 -0.008 0.000 1.084 443 I CA 1.393 62.685 61.300 -0.014 0.000 1.365 443 I CB -0.371 37.622 38.000 -0.013 0.000 1.064 443 I HN 0.268 nan 8.210 nan 0.000 0.410 444 R N 0.994 121.491 120.500 -0.004 0.000 2.091 444 R HA -0.185 4.147 4.340 -0.014 0.000 0.238 444 R C 1.718 178.014 176.300 -0.006 0.000 1.136 444 R CA 1.509 57.606 56.100 -0.004 0.000 0.959 444 R CB -0.018 30.280 30.300 -0.004 0.000 0.856 444 R HN 0.296 nan 8.270 nan 0.000 0.437 445 E N 0.640 120.834 120.200 -0.009 0.000 2.489 445 E HA -0.028 4.314 4.350 -0.014 0.000 0.193 445 E C -0.126 176.474 176.600 -0.000 0.000 1.057 445 E CA 0.205 56.601 56.400 -0.006 0.000 0.866 445 E CB 0.255 29.951 29.700 -0.008 0.000 0.916 445 E HN 0.271 nan 8.360 nan 0.000 0.500 446 K N 0.779 121.178 120.400 -0.000 0.000 3.148 446 K HA -0.181 4.131 4.320 -0.014 0.000 0.267 446 K C -0.245 176.361 176.600 0.011 0.000 0.996 446 K CA 0.222 56.512 56.287 0.004 0.000 0.737 446 K CB -1.943 30.561 32.500 0.006 0.000 1.308 446 K HN 0.172 nan 8.250 nan 0.000 0.470 447 L N 0.655 121.883 121.223 0.009 0.000 2.417 447 L HA 0.143 4.475 4.340 -0.014 0.000 0.268 447 L C 1.075 177.965 176.870 0.034 0.000 1.158 447 L CA -0.396 54.452 54.840 0.013 0.000 0.819 447 L CB 0.440 42.497 42.059 -0.004 0.000 1.112 447 L HN 0.151 nan 8.230 nan 0.000 0.458 448 N N 1.949 120.676 118.700 0.045 0.000 2.535 448 N HA 0.224 4.955 4.740 -0.014 0.000 0.294 448 N C -2.462 173.104 175.510 0.093 0.000 1.408 448 N CA -0.999 52.097 53.050 0.077 0.000 0.927 448 N CB 0.308 38.841 38.487 0.077 0.000 1.276 448 N HN 0.383 nan 8.380 nan 0.000 0.505 449 P HA 0.215 nan 4.420 nan 0.000 0.274 449 P C 0.001 177.354 177.300 0.088 0.000 1.256 449 P CA -0.226 62.934 63.100 0.100 0.000 0.795 449 P CB 1.487 33.252 31.700 0.108 0.000 1.038 450 I N 0.893 121.472 120.570 0.015 0.000 2.328 450 I HA 0.225 4.387 4.170 -0.014 0.000 0.287 450 I C -0.141 175.791 176.117 -0.308 0.000 1.012 450 I CA -0.528 60.690 61.300 -0.137 0.000 1.195 450 I CB 0.593 38.482 38.000 -0.184 0.000 1.350 450 I HN 0.142 nan 8.210 nan 0.000 0.464 451 C N 6.534 125.604 119.300 -0.383 0.000 2.298 451 C HA 0.538 4.990 4.460 -0.014 0.000 0.323 451 C C -0.230 174.285 174.990 -0.792 0.000 1.284 451 C CA -0.670 58.072 59.018 -0.461 0.000 1.577 451 C CB -0.173 27.395 27.740 -0.287 0.000 2.249 451 C HN 0.459 nan 8.230 nan 0.000 0.497 452 F N 3.498 123.176 119.950 -0.453 0.000 2.426 452 F HA 0.589 5.107 4.527 -0.015 0.000 0.348 452 F C 0.097 175.686 175.800 -0.353 0.000 1.124 452 F CA -0.698 57.089 58.000 -0.355 0.000 1.008 452 F CB 0.769 39.611 39.000 -0.264 0.000 1.139 452 F HN 0.298 nan 8.300 nan 0.000 0.452 453 I N 4.773 125.184 120.570 -0.265 0.000 2.330 453 I HA 0.271 4.432 4.170 -0.014 0.000 0.289 453 I C -0.147 175.848 176.117 -0.203 0.000 1.001 453 I CA -0.272 60.815 61.300 -0.354 0.000 1.193 453 I CB 1.035 38.671 38.000 -0.608 0.000 1.345 453 I HN 0.427 nan 8.210 nan 0.000 0.461 454 I N 5.859 126.347 120.570 -0.137 0.000 2.278 454 I HA 0.109 4.271 4.170 -0.014 0.000 0.296 454 I C 0.351 176.371 176.117 -0.161 0.000 1.121 454 I CA -0.238 61.014 61.300 -0.080 0.000 1.267 454 I CB 0.020 38.033 38.000 0.022 0.000 1.447 454 I HN 0.535 nan 8.210 nan 0.000 0.509 455 N N 6.594 125.204 118.700 -0.150 0.000 2.482 455 N HA 0.044 4.776 4.740 -0.014 0.000 0.242 455 N C 0.007 175.488 175.510 -0.047 0.000 1.100 455 N CA -0.252 52.725 53.050 -0.122 0.000 0.946 455 N CB 0.222 38.706 38.487 -0.005 0.000 1.227 455 N HN 0.509 nan 8.380 nan 0.000 0.508 456 N N 1.800 120.469 118.700 -0.052 0.000 2.416 456 N HA 0.111 4.843 4.740 -0.014 0.000 0.267 456 N C -0.515 174.978 175.510 -0.029 0.000 1.294 456 N CA -0.468 52.567 53.050 -0.026 0.000 0.891 456 N CB 0.066 38.546 38.487 -0.011 0.000 1.238 456 N HN 0.301 nan 8.380 nan 0.000 0.508 457 D N -0.769 119.612 120.400 -0.031 0.000 2.699 457 D HA -0.085 4.547 4.640 -0.014 0.000 0.239 457 D C 0.479 176.727 176.300 -0.088 0.000 1.136 457 D CA 1.894 55.871 54.000 -0.039 0.000 0.668 457 D CB -1.207 39.580 40.800 -0.021 0.000 1.060 457 D HN 0.900 nan 8.370 nan 0.000 0.429 458 G N -0.815 107.902 108.800 -0.138 0.000 2.270 458 G HA2 0.042 3.994 3.960 -0.014 0.000 0.268 458 G HA3 0.042 3.994 3.960 -0.014 0.000 0.268 458 G C -1.202 173.608 174.900 -0.150 0.000 1.312 458 G CA -0.440 44.510 45.100 -0.251 0.000 1.050 458 G HN 0.174 nan 8.290 nan 0.000 0.474 459 Y N 1.983 122.280 120.300 -0.004 0.000 2.714 459 Y HA 0.463 5.007 4.550 -0.011 0.000 0.333 459 Y C 2.125 178.038 175.900 0.021 0.000 1.220 459 Y CA 0.215 58.321 58.100 0.009 0.000 1.513 459 Y CB 0.276 38.751 38.460 0.026 0.000 1.435 459 Y HN 0.481 nan 8.280 nan 0.000 0.489 460 T N 0.145 114.789 114.554 0.150 0.000 2.777 460 T HA -0.189 4.152 4.350 -0.014 0.000 0.266 460 T C 2.207 176.974 174.700 0.111 0.000 1.040 460 T CA 1.554 63.715 62.100 0.103 0.000 1.141 460 T CB -0.201 68.713 68.868 0.077 0.000 0.868 460 T HN 0.534 nan 8.240 nan 0.000 0.444 461 V N 1.738 121.731 119.914 0.131 0.000 2.324 461 V HA -0.197 3.915 4.120 -0.014 0.000 0.250 461 V C 2.366 178.516 176.094 0.093 0.000 1.060 461 V CA 1.909 64.281 62.300 0.120 0.000 1.042 461 V CB -0.380 31.539 31.823 0.160 0.000 0.650 461 V HN 0.470 nan 8.190 nan 0.000 0.450 462 E N -0.176 120.083 120.200 0.099 0.000 2.107 462 E HA -0.181 4.160 4.350 -0.014 0.000 0.191 462 E C 2.351 179.029 176.600 0.131 0.000 0.982 462 E CA 1.121 57.579 56.400 0.096 0.000 0.809 462 E CB -0.266 29.495 29.700 0.101 0.000 0.756 462 E HN 0.640 nan 8.360 nan 0.000 0.459 463 R N 0.836 121.407 120.500 0.118 0.000 2.105 463 R HA -0.119 4.213 4.340 -0.014 0.000 0.239 463 R C 2.087 178.419 176.300 0.053 0.000 1.135 463 R CA 0.971 57.113 56.100 0.070 0.000 0.967 463 R CB -0.066 30.259 30.300 0.043 0.000 0.861 463 R HN 0.124 nan 8.270 nan 0.000 0.442 464 E N 0.417 120.652 120.200 0.059 0.000 2.208 464 E HA -0.098 4.244 4.350 -0.014 0.000 0.193 464 E C 1.972 178.610 176.600 0.063 0.000 0.988 464 E CA 0.837 57.262 56.400 0.042 0.000 0.828 464 E CB 0.068 29.785 29.700 0.028 0.000 0.763 464 E HN 0.427 nan 8.360 nan 0.000 0.478 465 I N -0.979 119.652 120.570 0.101 0.000 2.296 465 I HA -0.097 4.064 4.170 -0.014 0.000 0.242 465 I C 0.802 177.036 176.117 0.194 0.000 1.087 465 I CA 0.740 62.124 61.300 0.140 0.000 1.393 465 I CB 0.201 38.276 38.000 0.126 0.000 1.093 465 I HN 0.013 nan 8.210 nan 0.000 0.421 466 H N -0.890 118.223 119.070 0.072 0.000 3.123 466 H HA 0.426 4.975 4.556 -0.012 0.000 0.346 466 H C -0.123 175.280 175.328 0.126 0.000 1.138 466 H CA -0.262 55.839 56.048 0.089 0.000 1.273 466 H CB 1.403 31.219 29.762 0.090 0.000 1.926 466 H HN 0.204 nan 8.280 nan 0.000 0.524 467 G N 5.069 113.650 108.800 -0.366 0.000 2.353 467 G HA2 -0.197 3.754 3.960 -0.014 0.000 0.294 467 G HA3 -0.197 3.754 3.960 -0.014 0.000 0.294 467 G C -1.710 173.097 174.900 -0.155 0.000 1.077 467 G CA -0.038 44.921 45.100 -0.235 0.000 1.098 467 G HN 0.581 nan 8.290 nan 0.000 0.511 468 P HA -0.108 nan 4.420 nan 0.000 0.219 468 P C 1.489 178.732 177.300 -0.095 0.000 1.146 468 P CA 2.190 65.245 63.100 -0.075 0.000 0.808 468 P CB -0.008 31.657 31.700 -0.059 0.000 0.779 469 T N -5.309 109.168 114.554 -0.128 0.000 3.182 469 T HA 0.183 4.525 4.350 -0.014 0.000 0.277 469 T C 0.639 175.230 174.700 -0.182 0.000 1.013 469 T CA -0.458 61.567 62.100 -0.125 0.000 0.900 469 T CB -0.217 68.597 68.868 -0.089 0.000 1.098 469 T HN -0.098 nan 8.240 nan 0.000 0.543 470 Q N 1.965 121.582 119.800 -0.304 0.000 2.327 470 Q HA 0.263 4.595 4.340 -0.014 0.000 0.254 470 Q C 1.453 177.171 176.000 -0.470 0.000 0.952 470 Q CA 0.242 55.756 55.803 -0.481 0.000 0.884 470 Q CB 1.741 29.904 28.738 -0.957 0.000 1.224 470 Q HN 0.552 nan 8.270 nan 0.000 0.422 471 S N 1.701 117.220 115.700 -0.301 0.000 2.419 471 S HA -0.214 4.248 4.470 -0.014 0.000 0.233 471 S C 1.608 176.165 174.600 -0.072 0.000 1.016 471 S CA 1.531 59.647 58.200 -0.140 0.000 0.974 471 S CB -0.589 62.584 63.200 -0.044 0.000 0.786 471 S HN 0.705 nan 8.310 nan 0.000 0.492 472 Y N 1.491 121.825 120.300 0.057 0.000 2.497 472 Y HA 0.306 4.859 4.550 0.005 0.000 0.292 472 Y C 1.584 177.577 175.900 0.155 0.000 1.137 472 Y CA 0.230 58.386 58.100 0.093 0.000 1.285 472 Y CB -1.080 37.434 38.460 0.090 0.000 0.991 472 Y HN 0.149 nan 8.280 nan 0.000 0.556 473 N N 0.330 119.085 118.700 0.093 0.000 2.398 473 N HA -0.033 4.698 4.740 -0.014 0.000 0.188 473 N C -0.593 174.901 175.510 -0.026 0.000 1.122 473 N CA 0.409 53.574 53.050 0.193 0.000 0.866 473 N CB -0.088 38.455 38.487 0.094 0.000 0.970 473 N HN 0.446 nan 8.380 nan 0.000 0.462 474 D N 0.803 121.157 120.400 -0.077 0.000 2.283 474 D HA 0.279 4.910 4.640 -0.014 0.000 0.248 474 D C 0.723 176.895 176.300 -0.213 0.000 1.072 474 D CA -0.197 53.718 54.000 -0.142 0.000 0.929 474 D CB 1.923 42.674 40.800 -0.082 0.000 1.182 474 D HN 0.132 nan 8.370 nan 0.000 0.433 475 I N -2.549 117.869 120.570 -0.254 0.000 2.934 475 I HA 0.523 4.684 4.170 -0.014 0.000 0.306 475 I C -2.764 173.281 176.117 -0.118 0.000 1.110 475 I CA -2.568 58.590 61.300 -0.237 0.000 1.019 475 I CB 1.945 39.692 38.000 -0.421 0.000 1.227 475 I HN -0.063 nan 8.210 nan 0.000 0.434 476 P HA 0.198 nan 4.420 nan 0.000 0.267 476 P C -0.659 176.637 177.300 -0.007 0.000 1.209 476 P CA -0.002 63.121 63.100 0.039 0.000 0.763 476 P CB 0.478 32.285 31.700 0.179 0.000 0.816 477 M N 4.356 123.972 119.600 0.027 0.000 2.143 477 M HA 0.177 4.649 4.480 -0.014 0.000 0.348 477 M C -0.666 175.655 176.300 0.034 0.000 1.375 477 M CA -0.262 55.037 55.300 -0.001 0.000 1.124 477 M CB 0.173 32.790 32.600 0.029 0.000 1.669 477 M HN 0.266 nan 8.290 nan 0.000 0.469 478 W N 2.981 123.993 121.300 -0.479 0.000 2.141 478 W HA 0.250 4.900 4.660 -0.016 0.000 0.354 478 W C 0.265 176.353 176.519 -0.719 0.000 1.297 478 W CA -0.836 56.137 57.345 -0.619 0.000 1.380 478 W CB -0.086 28.955 29.460 -0.699 0.000 1.168 478 W HN 0.510 nan 8.180 nan 0.000 0.639 479 N N 2.080 120.691 118.700 -0.149 0.000 2.807 479 N HA 0.009 4.741 4.740 -0.014 0.000 0.259 479 N C 0.633 176.143 175.510 0.001 0.000 1.149 479 N CA -0.065 52.940 53.050 -0.074 0.000 1.042 479 N CB -0.204 38.279 38.487 -0.006 0.000 1.367 479 N HN 0.299 nan 8.380 nan 0.000 0.516 480 Y N 0.919 121.358 120.300 0.232 0.000 2.207 480 Y HA -0.253 4.286 4.550 -0.017 0.000 0.287 480 Y C 2.661 178.780 175.900 0.365 0.000 1.156 480 Y CA 1.252 59.528 58.100 0.293 0.000 1.182 480 Y CB -0.436 38.122 38.460 0.164 0.000 0.979 480 Y HN 0.430 nan 8.280 nan 0.000 0.521 481 S N -0.307 115.620 115.700 0.377 0.000 2.442 481 S HA -0.137 4.325 4.470 -0.014 0.000 0.236 481 S C 1.580 176.325 174.600 0.242 0.000 1.007 481 S CA 0.938 59.342 58.200 0.340 0.000 0.965 481 S CB -0.185 63.134 63.200 0.198 0.000 0.773 481 S HN 0.251 nan 8.310 nan 0.000 0.504 482 K N 1.095 121.588 120.400 0.156 0.000 2.444 482 K HA 0.361 4.673 4.320 -0.014 0.000 0.193 482 K C 1.685 178.293 176.600 0.013 0.000 1.024 482 K CA 0.021 56.346 56.287 0.064 0.000 1.077 482 K CB -0.557 31.969 32.500 0.043 0.000 0.833 482 K HN 0.421 nan 8.250 nan 0.000 0.517 483 L N 1.181 122.402 121.223 -0.004 0.000 1.989 483 L HA -0.166 4.165 4.340 -0.014 0.000 0.211 483 L C -0.674 176.003 176.870 -0.322 0.000 1.071 483 L CA 1.674 56.405 54.840 -0.182 0.000 0.749 483 L CB -1.567 40.325 42.059 -0.278 0.000 0.890 483 L HN 0.065 nan 8.230 nan 0.000 0.431 484 P HA -0.233 nan 4.420 nan 0.000 0.215 484 P C 1.398 178.620 177.300 -0.130 0.000 1.157 484 P CA 1.471 64.327 63.100 -0.407 0.000 0.874 484 P CB 0.039 31.469 31.700 -0.451 0.000 0.790 485 E N -0.917 119.231 120.200 -0.087 0.000 2.070 485 E HA -0.186 4.156 4.350 -0.014 0.000 0.197 485 E C 1.580 178.189 176.600 0.014 0.000 1.004 485 E CA 1.995 58.377 56.400 -0.030 0.000 0.805 485 E CB -0.521 29.165 29.700 -0.023 0.000 0.744 485 E HN 0.125 nan 8.360 nan 0.000 0.451 486 T N -0.024 114.566 114.554 0.060 0.000 2.867 486 T HA -0.099 4.243 4.350 -0.014 0.000 0.268 486 T C 0.956 175.723 174.700 0.111 0.000 1.057 486 T CA 0.827 62.979 62.100 0.088 0.000 1.136 486 T CB -0.216 68.723 68.868 0.119 0.000 0.874 486 T HN 0.144 nan 8.240 nan 0.000 0.466 487 F N 0.863 120.741 119.950 -0.120 0.000 2.804 487 F HA 0.380 4.898 4.527 -0.015 0.000 0.303 487 F C 1.907 177.651 175.800 -0.094 0.000 1.154 487 F CA -0.290 57.645 58.000 -0.108 0.000 1.401 487 F CB -0.453 38.469 39.000 -0.130 0.000 1.106 487 F HN 0.303 nan 8.300 nan 0.000 0.568 488 G N -0.381 108.449 108.800 0.050 0.000 2.163 488 G HA2 -0.064 3.887 3.960 -0.014 0.000 0.213 488 G HA3 -0.064 3.887 3.960 -0.014 0.000 0.213 488 G C 0.384 175.278 174.900 -0.011 0.000 0.991 488 G CA -0.268 44.832 45.100 0.000 0.000 0.653 488 G HN 0.585 nan 8.290 nan 0.000 0.518 489 A N 0.616 123.423 122.820 -0.021 0.000 2.425 489 A HA 0.730 5.042 4.320 -0.014 0.000 0.249 489 A C 0.935 178.492 177.584 -0.045 0.000 1.084 489 A CA 1.225 53.234 52.037 -0.047 0.000 0.781 489 A CB 0.287 19.232 19.000 -0.091 0.000 1.019 489 A HN 1.683 nan 8.150 nan 0.000 0.490 490 T N -0.590 113.938 114.554 -0.042 0.000 2.948 490 T HA 0.449 4.791 4.350 -0.014 0.000 0.285 490 T C 0.569 175.239 174.700 -0.050 0.000 1.019 490 T CA -0.429 61.648 62.100 -0.039 0.000 1.013 490 T CB 1.136 69.987 68.868 -0.029 0.000 1.117 490 T HN 0.623 nan 8.240 nan 0.000 0.533 491 E N 0.485 120.658 120.200 -0.046 0.000 2.338 491 E HA -0.118 4.224 4.350 -0.014 0.000 0.197 491 E C 1.401 177.967 176.600 -0.057 0.000 1.007 491 E CA 0.989 57.355 56.400 -0.057 0.000 0.849 491 E CB -0.021 29.653 29.700 -0.044 0.000 0.774 491 E HN 0.756 nan 8.360 nan 0.000 0.506 492 D N 0.421 120.797 120.400 -0.039 0.000 2.363 492 D HA -0.132 4.500 4.640 -0.014 0.000 0.220 492 D C 1.805 178.086 176.300 -0.032 0.000 0.994 492 D CA 0.532 54.514 54.000 -0.029 0.000 0.890 492 D CB 0.174 40.964 40.800 -0.017 0.000 0.906 492 D HN 0.040 nan 8.370 nan 0.000 0.530 493 R N 0.220 120.692 120.500 -0.047 0.000 2.144 493 R HA 0.208 4.540 4.340 -0.014 0.000 0.195 493 R C -0.134 176.124 176.300 -0.070 0.000 1.077 493 R CA 0.492 56.566 56.100 -0.043 0.000 1.120 493 R CB 0.540 30.817 30.300 -0.038 0.000 1.060 493 R HN -0.050 nan 8.270 nan 0.000 0.520 494 V N 1.782 121.633 119.914 -0.104 0.000 2.540 494 V HA 0.459 4.571 4.120 -0.014 0.000 0.302 494 V C -0.874 175.090 176.094 -0.216 0.000 1.035 494 V CA -1.050 61.161 62.300 -0.148 0.000 0.873 494 V CB 1.961 33.706 31.823 -0.130 0.000 0.992 494 V HN -0.071 nan 8.190 nan 0.000 0.428 495 V N 3.630 123.303 119.914 -0.403 0.000 2.350 495 V HA 0.459 4.571 4.120 -0.014 0.000 0.276 495 V C 0.229 176.166 176.094 -0.261 0.000 1.028 495 V CA -0.078 61.950 62.300 -0.453 0.000 0.860 495 V CB 1.492 32.746 31.823 -0.948 0.000 0.990 495 V HN 0.933 nan 8.190 nan 0.000 0.453 496 S N 5.436 121.082 115.700 -0.089 0.000 2.472 496 S HA 0.737 5.199 4.470 -0.014 0.000 0.303 496 S C -0.477 174.151 174.600 0.047 0.000 1.099 496 S CA -0.929 57.300 58.200 0.048 0.000 1.077 496 S CB 1.500 64.758 63.200 0.097 0.000 1.031 496 S HN 0.717 nan 8.310 nan 0.000 0.487 497 K N 1.443 121.889 120.400 0.076 0.000 2.536 497 K HA 0.539 4.851 4.320 -0.014 0.000 0.269 497 K C -1.401 175.247 176.600 0.081 0.000 0.965 497 K CA -0.650 55.680 56.287 0.072 0.000 0.860 497 K CB 1.946 34.490 32.500 0.073 0.000 1.423 497 K HN 0.460 nan 8.250 nan 0.000 0.438 498 I N 1.814 122.432 120.570 0.081 0.000 2.404 498 I HA 0.356 4.518 4.170 -0.014 0.000 0.293 498 I C -0.687 175.484 176.117 0.090 0.000 0.992 498 I CA -1.171 60.180 61.300 0.085 0.000 1.149 498 I CB 1.856 39.906 38.000 0.082 0.000 1.315 498 I HN 0.118 nan 8.210 nan 0.000 0.446 499 V N 7.117 127.095 119.914 0.106 0.000 2.487 499 V HA 0.417 4.529 4.120 -0.014 0.000 0.298 499 V C 0.526 176.681 176.094 0.101 0.000 1.028 499 V CA -0.398 61.978 62.300 0.127 0.000 0.860 499 V CB 1.815 33.761 31.823 0.206 0.000 0.991 499 V HN 0.761 nan 8.190 nan 0.000 0.427 500 R N 1.513 122.063 120.500 0.083 0.000 2.342 500 R HA 0.192 4.524 4.340 -0.014 0.000 0.204 500 R C 0.692 177.020 176.300 0.046 0.000 0.882 500 R CA 0.495 56.627 56.100 0.053 0.000 1.041 500 R CB 0.898 31.225 30.300 0.044 0.000 1.188 500 R HN 0.782 nan 8.270 nan 0.000 0.598 501 T N -2.402 112.194 114.554 0.070 0.000 2.940 501 T HA 0.292 4.634 4.350 -0.014 0.000 0.288 501 T C 0.765 175.530 174.700 0.109 0.000 1.045 501 T CA -0.855 61.284 62.100 0.065 0.000 1.018 501 T CB 2.484 71.387 68.868 0.058 0.000 1.151 501 T HN -0.061 nan 8.240 nan 0.000 0.529 502 E N 0.536 120.798 120.200 0.104 0.000 2.077 502 E HA -0.166 4.176 4.350 -0.014 0.000 0.193 502 E C 1.855 178.589 176.600 0.224 0.000 0.989 502 E CA 1.069 57.579 56.400 0.183 0.000 0.800 502 E CB -0.120 29.686 29.700 0.177 0.000 0.746 502 E HN 0.520 nan 8.360 nan 0.000 0.452 503 N N 1.104 119.888 118.700 0.140 0.000 2.069 503 N HA -0.173 4.558 4.740 -0.014 0.000 0.191 503 N C 1.621 177.205 175.510 0.123 0.000 1.031 503 N CA 1.127 54.247 53.050 0.117 0.000 0.852 503 N CB -0.202 38.326 38.487 0.069 0.000 1.018 503 N HN 0.271 nan 8.380 nan 0.000 0.423 504 E N -0.343 119.931 120.200 0.123 0.000 2.085 504 E HA -0.170 4.172 4.350 -0.014 0.000 0.194 504 E C 1.668 178.353 176.600 0.141 0.000 0.994 504 E CA 0.712 57.182 56.400 0.116 0.000 0.801 504 E CB -0.213 29.554 29.700 0.112 0.000 0.743 504 E HN 0.292 nan 8.360 nan 0.000 0.453 505 F N 1.010 120.995 119.950 0.058 0.000 2.102 505 F HA -0.212 4.307 4.527 -0.013 0.000 0.298 505 F C 2.116 177.953 175.800 0.061 0.000 1.105 505 F CA 1.083 59.115 58.000 0.053 0.000 1.239 505 F CB -0.272 38.721 39.000 -0.012 0.000 0.991 505 F HN -0.203 nan 8.300 nan 0.000 0.474 506 V N -0.692 119.290 119.914 0.114 0.000 2.343 506 V HA -0.297 3.815 4.120 -0.014 0.000 0.247 506 V C 2.652 178.713 176.094 -0.054 0.000 1.051 506 V CA 2.005 64.326 62.300 0.034 0.000 1.036 506 V CB -1.013 30.925 31.823 0.191 0.000 0.654 506 V HN 0.509 nan 8.190 nan 0.000 0.451 507 S N -0.331 115.365 115.700 -0.007 0.000 2.353 507 S HA -0.178 4.284 4.470 -0.014 0.000 0.222 507 S C 1.962 176.530 174.600 -0.052 0.000 1.035 507 S CA 2.084 60.277 58.200 -0.012 0.000 1.025 507 S CB -0.204 63.009 63.200 0.023 0.000 0.902 507 S HN 0.335 nan 8.310 nan 0.000 0.440 508 V N 1.892 121.763 119.914 -0.072 0.000 2.427 508 V HA -0.120 3.992 4.120 -0.014 0.000 0.248 508 V C 2.442 178.440 176.094 -0.160 0.000 1.051 508 V CA 2.093 64.354 62.300 -0.066 0.000 1.048 508 V CB -0.654 31.169 31.823 0.000 0.000 0.666 508 V HN 0.591 nan 8.190 nan 0.000 0.456 509 M N -0.221 119.208 119.600 -0.284 0.000 2.086 509 M HA -0.204 4.268 4.480 -0.014 0.000 0.261 509 M C 2.289 178.483 176.300 -0.177 0.000 1.067 509 M CA 1.915 57.069 55.300 -0.243 0.000 1.116 509 M CB -0.204 32.115 32.600 -0.469 0.000 1.348 509 M HN 0.154 nan 8.290 nan 0.000 0.407 510 K N -0.015 120.297 120.400 -0.148 0.000 2.032 510 K HA -0.243 4.069 4.320 -0.014 0.000 0.209 510 K C 1.994 178.521 176.600 -0.121 0.000 1.048 510 K CA 2.008 58.237 56.287 -0.097 0.000 0.927 510 K CB -0.374 32.094 32.500 -0.053 0.000 0.712 510 K HN 0.520 nan 8.250 nan 0.000 0.441 511 E N 0.719 120.841 120.200 -0.129 0.000 2.038 511 E HA -0.247 4.095 4.350 -0.014 0.000 0.195 511 E C 1.980 178.377 176.600 -0.339 0.000 1.000 511 E CA 1.293 57.612 56.400 -0.134 0.000 0.803 511 E CB -0.085 29.588 29.700 -0.046 0.000 0.750 511 E HN 0.320 nan 8.360 nan 0.000 0.448 512 A N 0.872 123.338 122.820 -0.589 0.000 1.883 512 A HA -0.269 4.042 4.320 -0.014 0.000 0.217 512 A C 2.105 179.353 177.584 -0.561 0.000 1.186 512 A CA 1.905 53.266 52.037 -1.128 0.000 0.624 512 A CB -0.697 17.783 19.000 -0.867 0.000 0.822 512 A HN 0.383 nan 8.150 nan 0.000 0.444 513 Q N -0.893 118.733 119.800 -0.289 0.000 2.170 513 Q HA -0.067 4.264 4.340 -0.014 0.000 0.203 513 Q C 2.274 178.209 176.000 -0.108 0.000 0.976 513 Q CA 1.244 56.961 55.803 -0.144 0.000 0.858 513 Q CB -0.340 28.353 28.738 -0.075 0.000 0.907 513 Q HN 0.704 nan 8.270 nan 0.000 0.433 514 A N 0.790 123.540 122.820 -0.117 0.000 2.014 514 A HA -0.101 4.211 4.320 -0.014 0.000 0.218 514 A C 0.777 178.336 177.584 -0.043 0.000 1.163 514 A CA 0.758 52.758 52.037 -0.062 0.000 0.652 514 A CB 0.149 19.121 19.000 -0.047 0.000 0.808 514 A HN 0.151 nan 8.150 nan 0.000 0.449 515 D N 0.340 120.695 120.400 -0.074 0.000 2.499 515 D HA 0.276 4.908 4.640 -0.014 0.000 0.225 515 D C 1.173 177.497 176.300 0.040 0.000 1.124 515 D CA 0.198 54.210 54.000 0.019 0.000 0.938 515 D CB 0.818 41.697 40.800 0.131 0.000 1.014 515 D HN 0.123 nan 8.370 nan 0.000 0.517 516 V N 1.218 121.152 119.914 0.034 0.000 3.141 516 V HA 0.035 4.147 4.120 -0.014 0.000 0.265 516 V C 0.999 177.132 176.094 0.065 0.000 1.126 516 V CA 0.746 63.071 62.300 0.041 0.000 1.141 516 V CB -0.382 31.459 31.823 0.030 0.000 0.743 516 V HN 0.296 nan 8.190 nan 0.000 0.492 517 N N 0.995 119.741 118.700 0.077 0.000 2.280 517 N HA 0.236 4.968 4.740 -0.014 0.000 0.192 517 N C 0.367 175.923 175.510 0.078 0.000 1.109 517 N CA 0.222 53.312 53.050 0.067 0.000 0.855 517 N CB 0.428 38.946 38.487 0.051 0.000 0.974 517 N HN 0.609 nan 8.380 nan 0.000 0.482 518 R N -0.273 120.304 120.500 0.129 0.000 2.808 518 R HA 0.378 4.710 4.340 -0.014 0.000 0.272 518 R C -0.646 175.756 176.300 0.170 0.000 0.995 518 R CA -0.713 55.450 56.100 0.105 0.000 0.917 518 R CB 2.250 32.578 30.300 0.047 0.000 1.217 518 R HN 0.016 nan 8.270 nan 0.000 0.471 519 M N 1.681 121.328 119.600 0.078 0.000 2.235 519 M HA 0.297 4.769 4.480 -0.014 0.000 0.351 519 M C -1.456 174.878 176.300 0.058 0.000 1.178 519 M CA 0.045 55.414 55.300 0.116 0.000 1.143 519 M CB 0.552 33.194 32.600 0.070 0.000 1.530 519 M HN 0.464 nan 8.290 nan 0.000 0.461 520 Y N 3.764 124.062 120.300 -0.003 0.000 2.352 520 Y HA 0.342 4.883 4.550 -0.014 0.000 0.339 520 Y C -1.047 174.850 175.900 -0.004 0.000 0.992 520 Y CA -0.453 57.620 58.100 -0.044 0.000 1.100 520 Y CB 1.231 39.596 38.460 -0.159 0.000 1.192 520 Y HN 0.644 nan 8.280 nan 0.000 0.458 521 W N 7.678 128.888 121.300 -0.149 0.000 2.413 521 W HA 0.586 5.237 4.660 -0.015 0.000 0.308 521 W C -1.949 174.495 176.519 -0.126 0.000 0.997 521 W CA -0.894 56.359 57.345 -0.153 0.000 1.447 521 W CB 0.783 30.166 29.460 -0.128 0.000 1.263 521 W HN 0.470 nan 8.180 nan 0.000 0.416 522 I N 4.206 124.550 120.570 -0.377 0.000 2.382 522 I HA 0.117 4.279 4.170 -0.014 0.000 0.285 522 I C 0.222 176.224 176.117 -0.191 0.000 1.007 522 I CA -0.483 60.693 61.300 -0.206 0.000 1.142 522 I CB 1.816 39.685 38.000 -0.219 0.000 1.289 522 I HN 0.292 nan 8.210 nan 0.000 0.453 523 E N 7.557 127.707 120.200 -0.085 0.000 2.129 523 E HA 0.321 4.662 4.350 -0.014 0.000 0.283 523 E C -1.092 175.535 176.600 0.045 0.000 1.080 523 E CA -0.464 55.914 56.400 -0.037 0.000 0.867 523 E CB 0.731 30.470 29.700 0.065 0.000 1.056 523 E HN 0.539 nan 8.360 nan 0.000 0.404 524 L N 4.664 125.912 121.223 0.042 0.000 2.292 524 L HA 0.346 4.678 4.340 -0.014 0.000 0.284 524 L C -0.457 176.419 176.870 0.010 0.000 1.065 524 L CA -1.013 53.862 54.840 0.059 0.000 0.806 524 L CB 1.524 43.614 42.059 0.052 0.000 1.175 524 L HN 0.337 nan 8.230 nan 0.000 0.431 525 V N 5.216 125.140 119.914 0.016 0.000 2.350 525 V HA 0.448 4.560 4.120 -0.014 0.000 0.276 525 V C 0.011 176.093 176.094 -0.020 0.000 1.028 525 V CA -0.296 62.008 62.300 0.008 0.000 0.860 525 V CB 1.469 33.309 31.823 0.028 0.000 0.990 525 V HN 0.466 nan 8.190 nan 0.000 0.453 526 L N 3.608 124.814 121.223 -0.028 0.000 2.327 526 L HA 0.623 4.955 4.340 -0.014 0.000 0.258 526 L C 0.014 176.871 176.870 -0.021 0.000 1.024 526 L CA -0.647 54.169 54.840 -0.038 0.000 0.825 526 L CB 1.863 43.885 42.059 -0.061 0.000 1.386 526 L HN 0.419 nan 8.230 nan 0.000 0.417 527 E N 0.842 121.031 120.200 -0.019 0.000 2.354 527 E HA 0.078 4.419 4.350 -0.014 0.000 0.269 527 E C 0.382 176.978 176.600 -0.007 0.000 1.036 527 E CA -0.197 56.197 56.400 -0.011 0.000 0.876 527 E CB 0.998 30.691 29.700 -0.011 0.000 1.009 527 E HN 0.546 nan 8.360 nan 0.000 0.416 528 K N 1.465 121.860 120.400 -0.007 0.000 2.147 528 K HA -0.170 4.142 4.320 -0.014 0.000 0.205 528 K C 0.824 177.425 176.600 0.003 0.000 1.049 528 K CA 1.420 57.705 56.287 -0.004 0.000 0.936 528 K CB 0.045 32.536 32.500 -0.014 0.000 0.722 528 K HN 0.176 nan 8.250 nan 0.000 0.446 529 E N 1.179 121.377 120.200 -0.002 0.000 2.427 529 E HA -0.021 4.320 4.350 -0.014 0.000 0.196 529 E C -0.372 176.231 176.600 0.005 0.000 1.028 529 E CA 0.446 56.845 56.400 -0.001 0.000 0.864 529 E CB 0.037 29.732 29.700 -0.008 0.000 0.813 529 E HN 0.319 nan 8.360 nan 0.000 0.514 530 D N 0.392 120.796 120.400 0.008 0.000 2.249 530 D HA 0.466 5.097 4.640 -0.014 0.000 0.246 530 D C -1.031 175.289 176.300 0.033 0.000 1.114 530 D CA -0.343 53.664 54.000 0.012 0.000 0.854 530 D CB 0.868 41.667 40.800 -0.001 0.000 1.132 530 D HN 0.041 nan 8.370 nan 0.000 0.461 531 A N 4.117 126.961 122.820 0.040 0.000 2.515 531 A HA 0.699 5.011 4.320 -0.014 0.000 0.298 531 A C -2.728 174.900 177.584 0.073 0.000 1.059 531 A CA -1.387 50.689 52.037 0.065 0.000 0.698 531 A CB 1.723 20.747 19.000 0.041 0.000 1.289 531 A HN 0.478 nan 8.150 nan 0.000 0.404 532 P HA 0.115 nan 4.420 nan 0.000 0.272 532 P C 0.351 177.671 177.300 0.033 0.000 1.230 532 P CA -0.227 62.943 63.100 0.116 0.000 0.788 532 P CB 0.724 32.513 31.700 0.148 0.000 0.949 533 K N 1.232 121.644 120.400 0.019 0.000 2.074 533 K HA -0.187 4.125 4.320 -0.014 0.000 0.209 533 K C 1.831 178.398 176.600 -0.056 0.000 1.048 533 K CA 1.153 57.431 56.287 -0.017 0.000 0.926 533 K CB -1.081 31.413 32.500 -0.010 0.000 0.713 533 K HN 0.179 nan 8.250 nan 0.000 0.444 534 L N 1.735 122.919 121.223 -0.065 0.000 2.042 534 L HA -0.075 4.257 4.340 -0.014 0.000 0.210 534 L C 2.216 178.968 176.870 -0.198 0.000 1.076 534 L CA 1.333 56.108 54.840 -0.108 0.000 0.749 534 L CB -0.404 41.612 42.059 -0.072 0.000 0.893 534 L HN 0.326 nan 8.230 nan 0.000 0.432 535 L N -1.127 119.991 121.223 -0.175 0.000 2.109 535 L HA -0.146 4.185 4.340 -0.014 0.000 0.207 535 L C 2.472 179.219 176.870 -0.205 0.000 1.086 535 L CA 1.021 55.683 54.840 -0.296 0.000 0.760 535 L CB -0.399 41.590 42.059 -0.116 0.000 0.910 535 L HN 0.189 nan 8.230 nan 0.000 0.437 536 K N 0.472 120.803 120.400 -0.115 0.000 2.063 536 K HA -0.224 4.087 4.320 -0.014 0.000 0.208 536 K C 2.022 178.552 176.600 -0.116 0.000 1.048 536 K CA 1.674 57.910 56.287 -0.085 0.000 0.928 536 K CB -0.220 32.249 32.500 -0.051 0.000 0.713 536 K HN 0.436 nan 8.250 nan 0.000 0.442 537 K N -0.068 120.245 120.400 -0.146 0.000 2.031 537 K HA 0.021 4.333 4.320 -0.014 0.000 0.205 537 K C 2.244 178.694 176.600 -0.251 0.000 1.049 537 K CA 0.896 57.084 56.287 -0.165 0.000 0.939 537 K CB -0.082 32.327 32.500 -0.152 0.000 0.717 537 K HN -0.016 nan 8.250 nan 0.000 0.438 538 M N 0.465 119.842 119.600 -0.371 0.000 2.159 538 M HA -0.072 4.399 4.480 -0.014 0.000 0.263 538 M C 2.341 178.329 176.300 -0.519 0.000 1.063 538 M CA 1.509 56.449 55.300 -0.601 0.000 1.110 538 M CB -1.389 30.686 32.600 -0.876 0.000 1.374 538 M HN 0.346 nan 8.290 nan 0.000 0.411 539 G N 0.649 109.297 108.800 -0.253 0.000 2.476 539 G HA2 -0.250 3.702 3.960 -0.014 0.000 0.218 539 G HA3 -0.250 3.702 3.960 -0.014 0.000 0.218 539 G C 1.669 176.560 174.900 -0.015 0.000 1.164 539 G CA 0.872 45.955 45.100 -0.029 0.000 0.768 539 G HN 0.319 nan 8.290 nan 0.000 0.560 540 K N 0.325 120.679 120.400 -0.076 0.000 2.155 540 K HA 0.142 4.454 4.320 -0.014 0.000 0.203 540 K C 2.516 179.078 176.600 -0.064 0.000 1.052 540 K CA 0.393 56.653 56.287 -0.046 0.000 0.948 540 K CB -0.624 31.845 32.500 -0.053 0.000 0.728 540 K HN 0.377 nan 8.250 nan 0.000 0.448 541 L N -0.462 120.661 121.223 -0.166 0.000 2.093 541 L HA -0.074 4.258 4.340 -0.014 0.000 0.208 541 L C 2.375 179.167 176.870 -0.130 0.000 1.085 541 L CA 1.126 55.850 54.840 -0.194 0.000 0.755 541 L CB -0.457 41.405 42.059 -0.328 0.000 0.904 541 L HN 0.019 nan 8.230 nan 0.000 0.435 542 F N -0.035 119.868 119.950 -0.078 0.000 2.102 542 F HA -0.257 4.261 4.527 -0.014 0.000 0.298 542 F C 2.696 178.474 175.800 -0.036 0.000 1.105 542 F CA 0.717 58.679 58.000 -0.063 0.000 1.239 542 F CB -0.416 38.537 39.000 -0.079 0.000 0.991 542 F HN 0.053 nan 8.300 nan 0.000 0.474 543 A N 0.059 122.979 122.820 0.167 0.000 1.917 543 A HA -0.212 4.100 4.320 -0.014 0.000 0.219 543 A C 2.113 179.738 177.584 0.069 0.000 1.182 543 A CA 1.825 53.925 52.037 0.105 0.000 0.633 543 A CB -0.580 18.480 19.000 0.099 0.000 0.819 543 A HN 0.273 nan 8.150 nan 0.000 0.448 544 E N -0.600 119.631 120.200 0.051 0.000 2.072 544 E HA -0.227 4.115 4.350 -0.014 0.000 0.191 544 E C 2.113 178.742 176.600 0.049 0.000 0.985 544 E CA 1.380 57.802 56.400 0.037 0.000 0.801 544 E CB -0.484 29.227 29.700 0.019 0.000 0.750 544 E HN 0.856 nan 8.360 nan 0.000 0.452 545 Q N 0.600 120.444 119.800 0.074 0.000 2.234 545 Q HA -0.124 4.208 4.340 -0.014 0.000 0.206 545 Q C 0.908 176.950 176.000 0.068 0.000 0.980 545 Q CA 1.077 56.938 55.803 0.097 0.000 0.869 545 Q CB 0.131 28.965 28.738 0.159 0.000 0.912 545 Q HN 0.081 nan 8.270 nan 0.000 0.436 546 N N 0.145 118.875 118.700 0.049 0.000 2.270 546 N HA 0.044 4.776 4.740 -0.014 0.000 0.198 546 N C -0.404 175.102 175.510 -0.007 0.000 1.117 546 N CA 0.188 53.242 53.050 0.006 0.000 0.845 546 N CB 0.449 38.921 38.487 -0.025 0.000 0.980 546 N HN 0.031 nan 8.380 nan 0.000 0.486 547 K N 0.000 120.406 120.400 0.010 0.000 2.780 547 K HA 0.000 4.312 4.320 -0.014 0.000 0.191 547 K CA 0.000 56.291 56.287 0.007 0.000 0.838 547 K CB 0.000 32.510 32.500 0.017 0.000 1.064 547 K HN 0.000 nan 8.250 nan 0.000 0.543