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 3mkv_1_D DATA FIRST_RESID 2 DATA SEQUENCE TTFLFRNGAL LDPDHPDLLQ GFEILIEDGF IREVSDKPIK SSNAHVIDVK DATA SEQUENCE GKTIMPGLID LHVHVVAIEF NLPRVATLPN VLVTLRAVPI MRAMLRRGFT DATA SEQUENCE TVRDAGGAGY PFKQAVESGL VEGPRLFVSG RALSQTGGHA DPRARSDYMP DATA SEQUENCE PDSPCGCCVR VGALGRVADG VDEVRRAVRE ELQMGADQIX IMASGGVASP DATA SEQUENCE TDPVGVFGYS EDEIRAIVAE AQGRGTYVLA HAYTPAAIAR AVRCGVRTIE DATA SEQUENCE HGNLIDDETA RLVAEHGAYV VPTLVTYDAL ASEGEKYGLP PESIAKIADV DATA SEQUENCE HGAGLHSIEI MKRAGVKMGF GTDLLGEAQR LQSDEFRILA EVLSPAEVIA DATA SEQUENCE SATIVSAEVL GMQDKLGRIV PGAHADVLVV DGNPLKSVDC LLGQGEHIPL DATA SEQUENCE VMKDGRLFVN ELE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.615 174.700 -0.141 0.000 1.109 2 T CA 0.000 62.038 62.100 -0.103 0.000 1.349 2 T CB 0.000 68.789 68.868 -0.132 0.000 0.612 3 T N 4.995 119.407 114.554 -0.238 0.000 2.875 3 T HA 0.758 5.108 4.350 -0.000 0.000 0.284 3 T C -0.726 173.735 174.700 -0.399 0.000 0.995 3 T CA -0.225 61.782 62.100 -0.156 0.000 1.060 3 T CB 0.394 69.222 68.868 -0.065 0.000 0.967 3 T HN 0.384 nan 8.240 nan 0.000 0.476 4 F N 1.250 121.208 119.950 0.013 0.000 2.618 4 F HA 0.806 5.333 4.527 -0.000 0.000 0.332 4 F C -0.443 175.306 175.800 -0.084 0.000 1.061 4 F CA -1.252 56.711 58.000 -0.062 0.000 0.974 4 F CB 1.630 40.559 39.000 -0.117 0.000 1.310 4 F HN 0.304 nan 8.300 nan 0.000 0.491 5 L N 1.523 122.736 121.223 -0.018 0.000 2.562 5 L HA 0.520 4.860 4.340 -0.000 0.000 0.266 5 L C -1.923 174.856 176.870 -0.152 0.000 0.949 5 L CA -0.152 54.680 54.840 -0.013 0.000 0.879 5 L CB 1.006 43.062 42.059 -0.005 0.000 1.278 5 L HN 0.404 nan 8.230 nan 0.000 0.404 6 F N 4.368 124.364 119.950 0.076 0.000 2.394 6 F HA 0.702 5.229 4.527 -0.000 0.000 0.340 6 F C 0.431 176.257 175.800 0.043 0.000 1.105 6 F CA -0.168 57.861 58.000 0.049 0.000 1.124 6 F CB 1.374 40.400 39.000 0.043 0.000 1.145 6 F HN 0.460 nan 8.300 nan 0.000 0.505 7 R N 2.168 122.776 120.500 0.179 0.000 2.740 7 R HA 0.356 4.696 4.340 -0.000 0.000 0.273 7 R C -0.360 175.997 176.300 0.096 0.000 0.998 7 R CA -0.616 55.550 56.100 0.110 0.000 0.900 7 R CB 1.263 31.591 30.300 0.047 0.000 1.223 7 R HN 0.661 nan 8.270 nan 0.000 0.466 8 N N 0.062 118.808 118.700 0.076 0.000 2.754 8 N HA -0.124 4.616 4.740 -0.000 0.000 0.248 8 N C -1.504 174.048 175.510 0.069 0.000 1.093 8 N CA 1.420 54.506 53.050 0.059 0.000 0.699 8 N CB -0.809 37.703 38.487 0.041 0.000 1.016 8 N HN 0.784 nan 8.380 nan 0.000 0.552 9 G N -0.935 107.919 108.800 0.090 0.000 2.566 9 G HA2 0.771 4.731 3.960 -0.000 0.000 0.311 9 G HA3 0.771 4.731 3.960 -0.000 0.000 0.311 9 G C -0.453 174.493 174.900 0.076 0.000 1.322 9 G CA 0.061 45.207 45.100 0.077 0.000 0.969 9 G HN 0.498 nan 8.290 nan 0.000 0.490 10 A N 1.620 124.468 122.820 0.047 0.000 2.404 10 A HA 0.530 4.849 4.320 -0.000 0.000 0.273 10 A C -0.058 177.530 177.584 0.007 0.000 1.144 10 A CA -0.276 51.787 52.037 0.043 0.000 0.806 10 A CB 0.577 19.590 19.000 0.021 0.000 1.080 10 A HN 1.039 nan 8.150 nan 0.000 0.509 11 L N 3.370 124.595 121.223 0.003 0.000 2.326 11 L HA 0.552 4.892 4.340 -0.000 0.000 0.278 11 L C -0.410 176.399 176.870 -0.102 0.000 1.092 11 L CA -0.294 54.495 54.840 -0.084 0.000 0.810 11 L CB 1.137 43.091 42.059 -0.176 0.000 1.153 11 L HN 0.640 nan 8.230 nan 0.000 0.439 12 L N 5.065 126.218 121.223 -0.117 0.000 2.276 12 L HA 0.426 4.766 4.340 -0.000 0.000 0.286 12 L C -1.095 175.701 176.870 -0.123 0.000 1.024 12 L CA -0.362 54.415 54.840 -0.105 0.000 0.826 12 L CB 0.771 42.767 42.059 -0.105 0.000 1.211 12 L HN 0.675 nan 8.230 nan 0.000 0.422 13 D N 6.797 127.131 120.400 -0.110 0.000 2.392 13 D HA 0.312 4.952 4.640 -0.000 0.000 0.228 13 D C -1.920 174.292 176.300 -0.146 0.000 1.074 13 D CA -2.237 51.678 54.000 -0.142 0.000 0.838 13 D CB 2.194 42.908 40.800 -0.143 0.000 1.067 13 D HN 0.267 nan 8.370 nan 0.000 0.511 14 P HA -0.079 nan 4.420 nan 0.000 0.221 14 P C 0.603 177.822 177.300 -0.135 0.000 1.145 14 P CA 0.683 63.717 63.100 -0.109 0.000 0.795 14 P CB 0.439 32.086 31.700 -0.089 0.000 0.775 15 D N -1.973 118.277 120.400 -0.249 0.000 2.224 15 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 15 D C 0.412 176.527 176.300 -0.307 0.000 0.965 15 D CA 0.962 54.759 54.000 -0.338 0.000 0.852 15 D CB -0.272 40.202 40.800 -0.542 0.000 0.947 15 D HN 0.379 nan 8.370 nan 0.000 0.494 16 H N -0.932 118.115 119.070 -0.038 0.000 2.524 16 H HA 0.209 4.765 4.556 -0.000 0.000 0.353 16 H C -1.467 173.844 175.328 -0.028 0.000 1.136 16 H CA -1.793 54.237 56.048 -0.031 0.000 1.193 16 H CB 2.184 31.923 29.762 -0.038 0.000 1.558 16 H HN -0.175 nan 8.280 nan 0.000 0.515 17 P HA -0.033 nan 4.420 nan 0.000 0.233 17 P C -0.453 176.868 177.300 0.035 0.000 1.167 17 P CA 0.938 64.070 63.100 0.052 0.000 0.770 17 P CB 0.776 32.503 31.700 0.044 0.000 0.837 18 D N -0.656 119.770 120.400 0.044 0.000 2.645 18 D HA 0.287 4.927 4.640 -0.000 0.000 0.228 18 D C -0.046 176.267 176.300 0.022 0.000 1.148 18 D CA -0.718 53.296 54.000 0.023 0.000 0.860 18 D CB 2.227 43.037 40.800 0.016 0.000 1.548 18 D HN -0.115 nan 8.370 nan 0.000 0.460 19 L N 1.283 122.511 121.223 0.008 0.000 2.499 19 L HA 0.115 4.455 4.340 -0.000 0.000 0.273 19 L C 0.131 177.017 176.870 0.027 0.000 1.195 19 L CA 0.020 54.862 54.840 0.003 0.000 0.882 19 L CB 0.194 42.251 42.059 -0.005 0.000 1.133 19 L HN 0.124 nan 8.230 nan 0.000 0.483 20 L N 4.233 125.473 121.223 0.027 0.000 2.276 20 L HA 0.316 4.656 4.340 -0.000 0.000 0.286 20 L C 0.146 177.145 176.870 0.214 0.000 1.061 20 L CA -0.698 54.207 54.840 0.107 0.000 0.807 20 L CB 0.871 42.939 42.059 0.014 0.000 1.177 20 L HN 0.579 nan 8.230 nan 0.000 0.429 21 Q N 1.479 121.412 119.800 0.222 0.000 2.199 21 Q HA 0.324 4.664 4.340 -0.000 0.000 0.232 21 Q C 1.086 177.193 176.000 0.178 0.000 0.969 21 Q CA 0.225 56.131 55.803 0.171 0.000 0.925 21 Q CB 1.337 30.123 28.738 0.080 0.000 1.198 21 Q HN 0.870 nan 8.270 nan 0.000 0.494 22 G N 0.266 109.113 108.800 0.079 0.000 2.166 22 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 22 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 22 G C -0.268 174.569 174.900 -0.105 0.000 0.986 22 G CA 0.204 45.282 45.100 -0.037 0.000 0.683 22 G HN 0.362 nan 8.290 nan 0.000 0.527 23 F N 0.931 120.892 119.950 0.020 0.000 2.379 23 F HA 0.597 5.124 4.527 -0.000 0.000 0.332 23 F C 0.878 176.704 175.800 0.043 0.000 1.096 23 F CA -0.375 57.641 58.000 0.028 0.000 1.105 23 F CB 1.096 40.111 39.000 0.024 0.000 1.189 23 F HN 0.076 nan 8.300 nan 0.000 0.515 24 E N 3.120 123.469 120.200 0.248 0.000 2.288 24 E HA 0.530 4.879 4.350 -0.000 0.000 0.268 24 E C -1.234 175.499 176.600 0.222 0.000 0.885 24 E CA -0.753 55.764 56.400 0.196 0.000 0.767 24 E CB 2.891 32.661 29.700 0.117 0.000 1.220 24 E HN 0.399 nan 8.360 nan 0.000 0.427 25 I N 3.018 123.733 120.570 0.241 0.000 2.411 25 I HA 0.195 4.364 4.170 -0.000 0.000 0.284 25 I C -0.901 175.382 176.117 0.275 0.000 1.012 25 I CA -0.814 60.634 61.300 0.247 0.000 1.119 25 I CB 1.134 39.269 38.000 0.224 0.000 1.261 25 I HN 0.222 nan 8.210 nan 0.000 0.448 26 L N 8.221 129.565 121.223 0.201 0.000 2.265 26 L HA 0.516 4.856 4.340 -0.000 0.000 0.288 26 L C -0.682 176.313 176.870 0.208 0.000 1.058 26 L CA 0.100 55.049 54.840 0.182 0.000 0.809 26 L CB 0.434 42.568 42.059 0.125 0.000 1.179 26 L HN 0.352 nan 8.230 nan 0.000 0.429 27 I N 5.313 126.034 120.570 0.252 0.000 2.433 27 I HA 0.480 4.649 4.170 -0.000 0.000 0.292 27 I C -0.397 175.871 176.117 0.252 0.000 1.001 27 I CA -0.347 61.120 61.300 0.278 0.000 1.119 27 I CB 1.715 39.941 38.000 0.376 0.000 1.289 27 I HN 0.787 nan 8.210 nan 0.000 0.438 28 E N 4.207 124.540 120.200 0.222 0.000 2.354 28 E HA 0.320 4.670 4.350 -0.000 0.000 0.283 28 E C -1.271 175.447 176.600 0.197 0.000 0.938 28 E CA -0.602 55.907 56.400 0.183 0.000 0.777 28 E CB 1.704 31.476 29.700 0.120 0.000 1.222 28 E HN 0.422 nan 8.360 nan 0.000 0.423 29 D N 1.802 122.299 120.400 0.161 0.000 2.772 29 D HA -0.168 4.472 4.640 -0.000 0.000 0.233 29 D C 0.752 177.121 176.300 0.115 0.000 1.143 29 D CA 2.221 56.314 54.000 0.155 0.000 0.700 29 D CB -1.370 39.542 40.800 0.187 0.000 1.076 29 D HN 1.251 nan 8.370 nan 0.000 0.430 30 G N -0.887 107.931 108.800 0.029 0.000 2.225 30 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 30 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 30 G C -0.124 174.444 174.900 -0.554 0.000 1.060 30 G CA 0.167 45.138 45.100 -0.215 0.000 0.833 30 G HN 0.406 nan 8.290 nan 0.000 0.498 31 F N -0.916 119.089 119.950 0.091 0.000 2.635 31 F HA 0.445 4.972 4.527 -0.000 0.000 0.314 31 F C 0.305 176.145 175.800 0.067 0.000 1.119 31 F CA -1.557 56.470 58.000 0.045 0.000 1.000 31 F CB 1.086 40.083 39.000 -0.004 0.000 1.278 31 F HN -0.023 nan 8.300 nan 0.000 0.446 32 I N 3.413 124.138 120.570 0.258 0.000 2.578 32 I HA 0.064 4.233 4.170 -0.000 0.000 0.286 32 I C 1.032 177.241 176.117 0.153 0.000 1.126 32 I CA 0.267 61.673 61.300 0.177 0.000 1.380 32 I CB 0.767 38.840 38.000 0.122 0.000 1.408 32 I HN 0.677 nan 8.210 nan 0.000 0.532 33 R N 4.791 125.377 120.500 0.143 0.000 2.123 33 R HA 0.196 4.536 4.340 -0.000 0.000 0.209 33 R C 0.031 176.382 176.300 0.085 0.000 1.078 33 R CA 1.029 57.191 56.100 0.103 0.000 1.028 33 R CB 0.492 30.855 30.300 0.105 0.000 0.939 33 R HN 0.625 nan 8.270 nan 0.000 0.463 34 E N -0.448 119.813 120.200 0.102 0.000 2.292 34 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 34 E C -1.556 175.117 176.600 0.123 0.000 0.881 34 E CA -0.845 55.614 56.400 0.098 0.000 0.754 34 E CB 2.996 32.749 29.700 0.087 0.000 1.201 34 E HN -0.188 nan 8.360 nan 0.000 0.425 35 V N 1.645 121.638 119.914 0.132 0.000 2.623 35 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 35 V C -0.720 175.534 176.094 0.267 0.000 1.054 35 V CA -0.673 61.739 62.300 0.187 0.000 0.882 35 V CB 1.496 33.392 31.823 0.122 0.000 1.002 35 V HN 0.854 nan 8.190 nan 0.000 0.424 36 S N 1.170 117.083 115.700 0.356 0.000 2.614 36 S HA 0.324 4.794 4.470 -0.000 0.000 0.280 36 S C -0.123 174.392 174.600 -0.140 0.000 1.111 36 S CA -0.228 58.103 58.200 0.219 0.000 0.847 36 S CB 1.679 64.932 63.200 0.089 0.000 1.079 36 S HN 0.724 nan 8.310 nan 0.000 0.452 37 D N 0.531 120.532 120.400 -0.667 0.000 2.234 37 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 37 D C 0.234 176.358 176.300 -0.293 0.000 0.962 37 D CA 0.680 54.251 54.000 -0.715 0.000 0.855 37 D CB -0.383 39.848 40.800 -0.947 0.000 0.951 37 D HN 0.386 nan 8.370 nan 0.000 0.500 38 K N 2.320 122.604 120.400 -0.193 0.000 2.163 38 K HA 0.155 4.475 4.320 -0.000 0.000 0.267 38 K C -2.336 174.227 176.600 -0.062 0.000 1.098 38 K CA -1.344 54.883 56.287 -0.100 0.000 1.062 38 K CB -0.226 32.236 32.500 -0.064 0.000 1.033 38 K HN 0.086 nan 8.250 nan 0.000 0.396 39 P HA -0.200 nan 4.420 nan 0.000 0.257 39 P C -0.204 177.090 177.300 -0.009 0.000 1.144 39 P CA 0.244 63.329 63.100 -0.026 0.000 0.761 39 P CB 0.265 31.951 31.700 -0.025 0.000 0.734 40 I N 3.011 123.586 120.570 0.009 0.000 3.204 40 I HA 0.563 4.733 4.170 -0.000 0.000 0.313 40 I C -0.141 175.984 176.117 0.014 0.000 1.082 40 I CA -1.001 60.309 61.300 0.016 0.000 1.033 40 I CB 1.331 39.351 38.000 0.033 0.000 1.304 40 I HN 0.121 nan 8.210 nan 0.000 0.536 41 K N 1.780 122.188 120.400 0.013 0.000 2.523 41 K HA 0.616 4.936 4.320 -0.000 0.000 0.257 41 K C -1.807 174.797 176.600 0.008 0.000 0.932 41 K CA -0.465 55.826 56.287 0.007 0.000 0.812 41 K CB 1.736 34.236 32.500 0.000 0.000 1.326 41 K HN 0.802 nan 8.250 nan 0.000 0.433 42 S N 0.050 115.751 115.700 0.002 0.000 2.564 42 S HA 0.262 4.732 4.470 -0.000 0.000 0.274 42 S C 0.434 175.027 174.600 -0.012 0.000 1.124 42 S CA -0.490 57.709 58.200 -0.002 0.000 0.869 42 S CB 1.585 64.786 63.200 0.002 0.000 1.105 42 S HN 0.599 nan 8.310 nan 0.000 0.472 43 S N 0.875 116.567 115.700 -0.013 0.000 2.528 43 S HA -0.003 4.467 4.470 -0.000 0.000 0.219 43 S C 0.884 175.469 174.600 -0.025 0.000 0.985 43 S CA 0.522 58.711 58.200 -0.017 0.000 0.914 43 S CB -0.715 62.476 63.200 -0.014 0.000 0.776 43 S HN 0.853 nan 8.310 nan 0.000 0.526 44 N N 1.869 120.552 118.700 -0.030 0.000 2.197 44 N HA 0.333 5.073 4.740 -0.000 0.000 0.201 44 N C 0.258 175.730 175.510 -0.064 0.000 1.148 44 N CA 0.240 53.264 53.050 -0.043 0.000 0.883 44 N CB -0.350 38.111 38.487 -0.043 0.000 1.012 44 N HN 0.415 nan 8.380 nan 0.000 0.507 45 A N 0.887 123.673 122.820 -0.058 0.000 2.492 45 A HA 0.110 4.430 4.320 -0.000 0.000 0.254 45 A C -0.399 177.134 177.584 -0.085 0.000 1.091 45 A CA -0.112 51.877 52.037 -0.079 0.000 0.768 45 A CB -0.544 18.429 19.000 -0.045 0.000 1.028 45 A HN 0.543 nan 8.150 nan 0.000 0.498 46 H N 2.249 121.166 119.070 -0.255 0.000 2.848 46 H HA 0.395 4.951 4.556 -0.000 0.000 0.317 46 H C -0.402 174.849 175.328 -0.128 0.000 1.046 46 H CA 0.200 56.119 56.048 -0.215 0.000 1.470 46 H CB 0.454 30.015 29.762 -0.336 0.000 1.483 46 H HN 0.316 nan 8.280 nan 0.000 0.548 47 V N 7.694 127.276 119.914 -0.553 0.000 2.509 47 V HA 0.213 4.333 4.120 -0.000 0.000 0.284 47 V C 0.348 176.137 176.094 -0.507 0.000 1.047 47 V CA -0.528 61.527 62.300 -0.408 0.000 0.952 47 V CB 1.102 32.790 31.823 -0.226 0.000 0.988 47 V HN 0.708 nan 8.190 nan 0.000 0.469 48 I N 3.480 123.835 120.570 -0.357 0.000 2.410 48 I HA 0.335 4.505 4.170 -0.000 0.000 0.286 48 I C -0.736 175.322 176.117 -0.099 0.000 1.009 48 I CA -0.471 60.674 61.300 -0.260 0.000 1.111 48 I CB 1.823 39.591 38.000 -0.388 0.000 1.262 48 I HN 0.522 nan 8.210 nan 0.000 0.443 49 D N 5.581 125.954 120.400 -0.046 0.000 2.380 49 D HA 0.198 4.838 4.640 -0.000 0.000 0.230 49 D C 0.862 177.192 176.300 0.050 0.000 1.154 49 D CA -0.214 53.790 54.000 0.006 0.000 0.859 49 D CB 1.589 42.385 40.800 -0.006 0.000 1.045 49 D HN 0.251 nan 8.370 nan 0.000 0.495 50 V N 4.388 124.358 119.914 0.094 0.000 2.594 50 V HA -0.182 3.938 4.120 -0.000 0.000 0.253 50 V C 1.633 177.765 176.094 0.063 0.000 1.069 50 V CA 1.451 63.815 62.300 0.106 0.000 1.082 50 V CB -0.999 30.897 31.823 0.122 0.000 0.680 50 V HN 0.969 nan 8.190 nan 0.000 0.469 51 K N -0.467 119.962 120.400 0.048 0.000 3.117 51 K HA -0.218 4.101 4.320 -0.000 0.000 0.269 51 K C 0.758 177.376 176.600 0.029 0.000 1.098 51 K CA 0.531 56.838 56.287 0.033 0.000 0.785 51 K CB -1.528 30.990 32.500 0.029 0.000 1.242 51 K HN 1.004 nan 8.250 nan 0.000 0.491 52 G N -0.488 108.332 108.800 0.033 0.000 2.143 52 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.249 52 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.249 52 G C -0.020 174.891 174.900 0.019 0.000 0.981 52 G CA 0.755 45.870 45.100 0.026 0.000 0.665 52 G HN 0.424 nan 8.290 nan 0.000 0.528 53 K N 0.179 120.593 120.400 0.023 0.000 2.109 53 K HA 0.564 4.884 4.320 -0.000 0.000 0.243 53 K C 0.308 176.907 176.600 -0.002 0.000 1.006 53 K CA -0.272 56.021 56.287 0.009 0.000 0.917 53 K CB 0.669 33.179 32.500 0.017 0.000 1.081 53 K HN 0.075 nan 8.250 nan 0.000 0.468 54 T N 1.842 116.380 114.554 -0.026 0.000 2.794 54 T HA 0.291 4.641 4.350 -0.000 0.000 0.296 54 T C 0.209 174.862 174.700 -0.078 0.000 0.949 54 T CA -0.315 61.755 62.100 -0.050 0.000 1.101 54 T CB 0.007 68.834 68.868 -0.068 0.000 0.905 54 T HN 0.280 nan 8.240 nan 0.000 0.516 55 I N 5.256 125.766 120.570 -0.100 0.000 2.312 55 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 55 I C 0.270 176.276 176.117 -0.185 0.000 1.008 55 I CA -0.596 60.595 61.300 -0.181 0.000 1.226 55 I CB 0.646 38.508 38.000 -0.231 0.000 1.371 55 I HN 0.582 nan 8.210 nan 0.000 0.468 56 M N 6.392 125.875 119.600 -0.195 0.000 2.658 56 M HA 0.761 5.240 4.480 -0.000 0.000 0.295 56 M C -2.918 173.276 176.300 -0.177 0.000 1.248 56 M CA -2.128 53.067 55.300 -0.175 0.000 0.843 56 M CB 2.001 34.502 32.600 -0.165 0.000 1.749 56 M HN -0.017 nan 8.290 nan 0.000 0.464 57 P HA 0.182 nan 4.420 nan 0.000 0.269 57 P C -0.016 177.207 177.300 -0.129 0.000 1.215 57 P CA 0.093 63.120 63.100 -0.122 0.000 0.780 57 P CB 0.230 31.872 31.700 -0.096 0.000 0.898 58 G N 2.420 111.161 108.800 -0.099 0.000 2.353 58 G HA2 0.190 4.150 3.960 -0.000 0.000 0.239 58 G HA3 0.190 4.150 3.960 -0.000 0.000 0.239 58 G C -0.131 174.705 174.900 -0.106 0.000 1.295 58 G CA -0.412 44.628 45.100 -0.099 0.000 0.884 58 G HN 0.392 nan 8.290 nan 0.000 0.537 59 L N 1.233 122.347 121.223 -0.182 0.000 2.464 59 L HA 0.392 4.732 4.340 -0.000 0.000 0.264 59 L C 0.463 177.356 176.870 0.038 0.000 1.199 59 L CA -0.059 54.665 54.840 -0.194 0.000 0.818 59 L CB 0.680 42.384 42.059 -0.591 0.000 1.102 59 L HN 0.318 nan 8.230 nan 0.000 0.473 60 I N 1.016 121.673 120.570 0.144 0.000 2.533 60 I HA 0.274 4.443 4.170 -0.000 0.000 0.290 60 I C -1.088 175.230 176.117 0.334 0.000 1.056 60 I CA -0.538 60.891 61.300 0.214 0.000 1.057 60 I CB 2.205 40.247 38.000 0.071 0.000 1.240 60 I HN 0.482 nan 8.210 nan 0.000 0.423 61 D N 6.455 127.020 120.400 0.274 0.000 2.425 61 D HA 0.341 4.981 4.640 -0.000 0.000 0.240 61 D C 0.238 176.561 176.300 0.040 0.000 1.080 61 D CA -0.332 53.778 54.000 0.183 0.000 0.836 61 D CB 2.025 42.731 40.800 -0.156 0.000 1.125 61 D HN 0.478 nan 8.370 nan 0.000 0.525 62 L N 2.730 123.977 121.223 0.039 0.000 2.591 62 L HA 0.099 4.439 4.340 -0.000 0.000 0.228 62 L C 0.188 177.030 176.870 -0.046 0.000 1.133 62 L CA 0.302 55.129 54.840 -0.021 0.000 0.880 62 L CB -0.068 41.979 42.059 -0.021 0.000 1.033 62 L HN 0.426 nan 8.230 nan 0.000 0.450 63 H N -0.233 118.720 119.070 -0.195 0.000 3.021 63 H HA 0.421 4.977 4.556 -0.000 0.000 0.293 63 H C -1.025 174.097 175.328 -0.344 0.000 1.244 63 H CA -0.572 55.309 56.048 -0.277 0.000 1.596 63 H CB 0.943 30.540 29.762 -0.276 0.000 1.720 63 H HN -0.111 nan 8.280 nan 0.000 0.537 64 V N 1.202 120.862 119.914 -0.423 0.000 3.040 64 V HA 0.575 4.695 4.120 -0.000 0.000 0.312 64 V C -0.862 174.891 176.094 -0.569 0.000 1.115 64 V CA -0.784 61.287 62.300 -0.382 0.000 0.998 64 V CB 2.520 34.183 31.823 -0.266 0.000 1.042 64 V HN 0.713 nan 8.190 nan 0.000 0.433 65 H N 2.163 121.131 119.070 -0.170 0.000 2.791 65 H HA 0.436 4.992 4.556 -0.000 0.000 0.272 65 H C 0.628 175.834 175.328 -0.204 0.000 1.188 65 H CA -0.266 55.675 56.048 -0.178 0.000 1.436 65 H CB 1.828 31.509 29.762 -0.134 0.000 1.467 65 H HN 0.547 nan 8.280 nan 0.000 0.500 66 V N 2.935 122.745 119.914 -0.173 0.000 2.407 66 V HA -0.196 3.923 4.120 -0.000 0.000 0.248 66 V C 2.256 178.196 176.094 -0.258 0.000 1.055 66 V CA 2.042 64.183 62.300 -0.265 0.000 1.049 66 V CB -0.196 31.370 31.823 -0.427 0.000 0.662 66 V HN 0.616 nan 8.190 nan 0.000 0.455 67 V N -1.615 118.164 119.914 -0.224 0.000 3.623 67 V HA 0.440 4.560 4.120 -0.000 0.000 0.271 67 V C 1.231 177.260 176.094 -0.108 0.000 1.248 67 V CA 0.463 62.669 62.300 -0.156 0.000 1.156 67 V CB -0.642 31.118 31.823 -0.106 0.000 0.870 67 V HN 0.315 nan 8.190 nan 0.000 0.453 68 A N 1.689 124.443 122.820 -0.110 0.000 3.037 68 A HA 0.511 4.831 4.320 -0.000 0.000 0.272 68 A C 1.233 178.722 177.584 -0.158 0.000 1.723 68 A CA 0.093 52.051 52.037 -0.131 0.000 1.413 68 A CB -1.059 17.863 19.000 -0.129 0.000 1.112 68 A HN 0.850 nan 8.150 nan 0.000 0.606 69 I N -1.325 119.170 120.570 -0.125 0.000 3.176 69 I HA 0.075 4.245 4.170 -0.000 0.000 0.275 69 I C 0.577 176.612 176.117 -0.136 0.000 1.298 69 I CA 0.663 61.893 61.300 -0.116 0.000 1.445 69 I CB -0.326 37.634 38.000 -0.067 0.000 1.075 69 I HN 0.663 nan 8.210 nan 0.000 0.482 70 E N -0.762 119.343 120.200 -0.158 0.000 2.422 70 E HA 0.205 4.555 4.350 -0.000 0.000 0.280 70 E C -0.565 175.939 176.600 -0.159 0.000 1.091 70 E CA -0.779 55.535 56.400 -0.144 0.000 0.849 70 E CB 0.128 29.836 29.700 0.013 0.000 1.353 70 E HN -0.087 nan 8.360 nan 0.000 0.449 71 F N 0.737 120.684 119.950 -0.006 0.000 2.113 71 F HA -0.035 4.492 4.527 -0.000 0.000 0.297 71 F C 1.540 177.337 175.800 -0.005 0.000 1.103 71 F CA 1.121 59.124 58.000 0.006 0.000 1.248 71 F CB -0.227 38.802 39.000 0.048 0.000 0.999 71 F HN 0.415 nan 8.300 nan 0.000 0.475 72 N N 1.628 120.441 118.700 0.188 0.000 2.498 72 N HA 0.028 4.768 4.740 -0.000 0.000 0.277 72 N C 0.827 176.352 175.510 0.026 0.000 1.208 72 N CA 0.214 53.318 53.050 0.089 0.000 1.029 72 N CB -0.044 38.490 38.487 0.078 0.000 1.403 72 N HN 0.217 nan 8.380 nan 0.000 0.500 73 L N 3.386 124.603 121.223 -0.010 0.000 2.083 73 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 73 L C -0.590 176.249 176.870 -0.053 0.000 1.083 73 L CA 0.961 55.767 54.840 -0.058 0.000 0.752 73 L CB -1.171 40.822 42.059 -0.109 0.000 0.899 73 L HN 0.393 nan 8.230 nan 0.000 0.433 74 P HA -0.203 nan 4.420 nan 0.000 0.215 74 P C 1.495 178.783 177.300 -0.021 0.000 1.153 74 P CA 1.309 64.386 63.100 -0.038 0.000 0.853 74 P CB -0.071 31.609 31.700 -0.033 0.000 0.788 75 R N 0.055 120.550 120.500 -0.007 0.000 2.091 75 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 75 R C 1.824 178.123 176.300 -0.003 0.000 1.136 75 R CA 1.476 57.578 56.100 0.002 0.000 0.959 75 R CB -1.048 29.262 30.300 0.016 0.000 0.856 75 R HN -0.028 nan 8.270 nan 0.000 0.437 76 V N 1.214 121.122 119.914 -0.011 0.000 2.469 76 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 76 V C 2.386 178.471 176.094 -0.015 0.000 1.064 76 V CA 1.896 64.186 62.300 -0.017 0.000 1.066 76 V CB -0.642 31.159 31.823 -0.036 0.000 0.667 76 V HN 0.597 nan 8.190 nan 0.000 0.461 77 A N 0.235 123.043 122.820 -0.021 0.000 2.119 77 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 77 A C 2.336 179.916 177.584 -0.006 0.000 1.153 77 A CA 1.833 53.861 52.037 -0.016 0.000 0.692 77 A CB -0.560 18.424 19.000 -0.026 0.000 0.799 77 A HN 0.643 nan 8.150 nan 0.000 0.458 78 T N -2.715 111.837 114.554 -0.003 0.000 3.044 78 T HA 0.368 4.718 4.350 -0.000 0.000 0.250 78 T C 0.598 175.302 174.700 0.005 0.000 1.081 78 T CA -0.261 61.841 62.100 0.002 0.000 1.040 78 T CB -0.438 68.432 68.868 0.004 0.000 0.962 78 T HN 0.201 nan 8.240 nan 0.000 0.506 79 L N 2.259 123.485 121.223 0.005 0.000 2.461 79 L HA 0.335 4.674 4.340 -0.000 0.000 0.272 79 L C -2.106 174.770 176.870 0.009 0.000 1.197 79 L CA -2.231 52.614 54.840 0.008 0.000 0.836 79 L CB 0.086 42.150 42.059 0.008 0.000 1.105 79 L HN 0.025 nan 8.230 nan 0.000 0.477 80 P HA 0.028 nan 4.420 nan 0.000 0.266 80 P C -0.026 177.281 177.300 0.012 0.000 1.195 80 P CA -0.132 62.973 63.100 0.009 0.000 0.768 80 P CB 0.405 32.109 31.700 0.007 0.000 0.838 81 N N 1.355 120.061 118.700 0.009 0.000 2.094 81 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 81 N C 1.647 177.164 175.510 0.011 0.000 1.023 81 N CA 1.116 54.172 53.050 0.011 0.000 0.857 81 N CB -0.925 37.563 38.487 0.001 0.000 1.013 81 N HN 0.149 nan 8.380 nan 0.000 0.426 82 V N 1.955 121.870 119.914 0.003 0.000 2.332 82 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 82 V C 2.410 178.512 176.094 0.012 0.000 1.055 82 V CA 1.315 63.615 62.300 0.000 0.000 1.038 82 V CB -0.507 31.314 31.823 -0.003 0.000 0.651 82 V HN 0.251 nan 8.190 nan 0.000 0.450 83 L N -0.679 120.554 121.223 0.015 0.000 2.072 83 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 83 L C 2.461 179.349 176.870 0.029 0.000 1.079 83 L CA 0.928 55.779 54.840 0.018 0.000 0.752 83 L CB -0.703 41.364 42.059 0.014 0.000 0.906 83 L HN 0.206 nan 8.230 nan 0.000 0.436 84 V N -0.423 119.512 119.914 0.036 0.000 2.343 84 V HA -0.268 3.851 4.120 -0.000 0.000 0.247 84 V C 2.579 178.735 176.094 0.104 0.000 1.051 84 V CA 2.310 64.642 62.300 0.052 0.000 1.036 84 V CB -0.862 30.994 31.823 0.055 0.000 0.654 84 V HN 0.457 nan 8.190 nan 0.000 0.451 85 T N 0.682 115.306 114.554 0.118 0.000 2.643 85 T HA -0.148 4.202 4.350 -0.000 0.000 0.264 85 T C 1.902 176.676 174.700 0.124 0.000 1.045 85 T CA 1.747 63.946 62.100 0.164 0.000 1.155 85 T CB -0.364 68.519 68.868 0.025 0.000 0.863 85 T HN 0.303 nan 8.240 nan 0.000 0.420 86 L N 0.218 121.476 121.223 0.059 0.000 2.083 86 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 86 L C 2.731 179.624 176.870 0.039 0.000 1.083 86 L CA 1.316 56.181 54.840 0.041 0.000 0.752 86 L CB -0.449 41.623 42.059 0.021 0.000 0.899 86 L HN 0.132 nan 8.230 nan 0.000 0.433 87 R N -0.444 120.077 120.500 0.034 0.000 2.276 87 R HA 0.034 4.373 4.340 -0.000 0.000 0.203 87 R C 2.170 178.472 176.300 0.002 0.000 1.017 87 R CA 0.683 56.790 56.100 0.012 0.000 1.010 87 R CB -0.078 30.222 30.300 0.001 0.000 0.900 87 R HN 0.313 nan 8.270 nan 0.000 0.469 88 A N 0.246 123.087 122.820 0.035 0.000 2.030 88 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 88 A C 2.114 179.702 177.584 0.007 0.000 1.164 88 A CA 0.393 52.426 52.037 -0.006 0.000 0.697 88 A CB -0.022 18.985 19.000 0.011 0.000 0.827 88 A HN 0.064 nan 8.150 nan 0.000 0.457 89 V N 1.052 121.002 119.914 0.061 0.000 2.252 89 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 89 V C -0.132 175.965 176.094 0.005 0.000 1.056 89 V CA 2.724 65.053 62.300 0.049 0.000 1.022 89 V CB -1.538 30.314 31.823 0.047 0.000 0.641 89 V HN 0.389 nan 8.190 nan 0.000 0.445 90 P HA -0.122 nan 4.420 nan 0.000 0.216 90 P C 1.790 179.071 177.300 -0.031 0.000 1.150 90 P CA 1.530 64.622 63.100 -0.014 0.000 0.837 90 P CB -0.035 31.656 31.700 -0.014 0.000 0.786 91 I N -1.738 118.803 120.570 -0.048 0.000 2.202 91 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 91 I C 2.477 178.549 176.117 -0.076 0.000 1.091 91 I CA 1.531 62.788 61.300 -0.072 0.000 1.368 91 I CB -0.483 37.456 38.000 -0.102 0.000 1.058 91 I HN -0.118 nan 8.210 nan 0.000 0.410 92 M N -0.307 119.244 119.600 -0.082 0.000 2.117 92 M HA -0.227 4.253 4.480 -0.000 0.000 0.262 92 M C 2.518 178.777 176.300 -0.069 0.000 1.065 92 M CA 1.644 56.892 55.300 -0.086 0.000 1.114 92 M CB -0.576 31.974 32.600 -0.083 0.000 1.361 92 M HN 0.170 nan 8.290 nan 0.000 0.408 93 R N 0.769 121.236 120.500 -0.054 0.000 2.091 93 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 93 R C 2.084 178.364 176.300 -0.033 0.000 1.136 93 R CA 1.748 57.816 56.100 -0.053 0.000 0.959 93 R CB -0.247 30.035 30.300 -0.029 0.000 0.856 93 R HN 0.346 nan 8.270 nan 0.000 0.437 94 A N 0.843 123.652 122.820 -0.020 0.000 1.929 94 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 94 A C 2.215 179.819 177.584 0.034 0.000 1.176 94 A CA 1.279 53.319 52.037 0.004 0.000 0.628 94 A CB -0.382 18.617 19.000 -0.002 0.000 0.816 94 A HN 0.366 nan 8.150 nan 0.000 0.444 95 M N -1.217 118.394 119.600 0.018 0.000 2.082 95 M HA -0.198 4.282 4.480 -0.000 0.000 0.258 95 M C 2.178 178.575 176.300 0.163 0.000 1.069 95 M CA 1.604 56.948 55.300 0.074 0.000 1.102 95 M CB -0.469 32.123 32.600 -0.013 0.000 1.336 95 M HN 0.457 nan 8.290 nan 0.000 0.404 96 L N 0.309 121.560 121.223 0.046 0.000 2.027 96 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 96 L C 2.483 179.365 176.870 0.020 0.000 1.074 96 L CA 1.861 56.702 54.840 0.001 0.000 0.745 96 L CB -0.778 41.199 42.059 -0.138 0.000 0.898 96 L HN 0.133 nan 8.230 nan 0.000 0.433 97 R N 0.311 120.824 120.500 0.023 0.000 2.139 97 R HA -0.147 4.193 4.340 -0.000 0.000 0.243 97 R C 2.056 178.378 176.300 0.035 0.000 1.145 97 R CA 1.571 57.688 56.100 0.028 0.000 0.976 97 R CB -0.395 29.921 30.300 0.027 0.000 0.866 97 R HN 0.400 nan 8.270 nan 0.000 0.449 98 R N -1.185 119.370 120.500 0.092 0.000 2.319 98 R HA 0.170 4.510 4.340 -0.000 0.000 0.204 98 R C 0.800 177.056 176.300 -0.074 0.000 0.954 98 R CA 0.596 56.759 56.100 0.105 0.000 1.066 98 R CB 0.232 30.715 30.300 0.304 0.000 0.991 98 R HN 0.488 nan 8.270 nan 0.000 0.486 99 G N 0.525 109.269 108.800 -0.094 0.000 2.175 99 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.244 99 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.244 99 G C -0.080 174.633 174.900 -0.313 0.000 0.982 99 G CA -0.535 44.422 45.100 -0.237 0.000 0.641 99 G HN 0.232 nan 8.290 nan 0.000 0.527 100 F N 2.239 122.185 119.950 -0.006 0.000 2.413 100 F HA 0.466 4.993 4.527 -0.000 0.000 0.359 100 F C 1.765 177.543 175.800 -0.036 0.000 1.122 100 F CA 0.580 58.575 58.000 -0.009 0.000 1.160 100 F CB 1.382 40.390 39.000 0.013 0.000 1.146 100 F HN 0.087 nan 8.300 nan 0.000 0.514 101 T N -2.167 112.440 114.554 0.089 0.000 3.040 101 T HA 0.192 4.542 4.350 -0.000 0.000 0.250 101 T C 0.455 175.185 174.700 0.050 0.000 1.058 101 T CA 0.019 62.138 62.100 0.031 0.000 0.988 101 T CB 0.006 68.878 68.868 0.006 0.000 0.993 101 T HN 0.417 nan 8.240 nan 0.000 0.519 102 T N 2.049 116.665 114.554 0.104 0.000 2.993 102 T HA 0.643 4.993 4.350 -0.000 0.000 0.312 102 T C -1.109 173.667 174.700 0.127 0.000 1.115 102 T CA -0.742 61.431 62.100 0.122 0.000 1.027 102 T CB 2.252 71.197 68.868 0.128 0.000 1.116 102 T HN 0.458 nan 8.240 nan 0.000 0.464 103 V N 0.642 120.621 119.914 0.108 0.000 2.925 103 V HA 0.774 4.894 4.120 -0.000 0.000 0.311 103 V C -0.774 175.357 176.094 0.063 0.000 1.104 103 V CA -1.296 61.028 62.300 0.041 0.000 0.954 103 V CB 2.142 33.941 31.823 -0.041 0.000 1.022 103 V HN 0.883 nan 8.190 nan 0.000 0.427 104 R N 2.679 123.175 120.500 -0.006 0.000 2.229 104 R HA 0.339 4.679 4.340 -0.000 0.000 0.328 104 R C -0.615 175.612 176.300 -0.121 0.000 1.009 104 R CA -0.435 55.660 56.100 -0.009 0.000 0.864 104 R CB 0.887 31.160 30.300 -0.044 0.000 1.085 104 R HN 1.016 nan 8.270 nan 0.000 0.453 105 D N 3.285 123.618 120.400 -0.113 0.000 2.312 105 D HA 0.088 4.728 4.640 -0.000 0.000 0.252 105 D C -0.028 176.118 176.300 -0.257 0.000 1.150 105 D CA 0.080 53.952 54.000 -0.213 0.000 0.870 105 D CB 1.588 42.295 40.800 -0.155 0.000 1.153 105 D HN 0.691 nan 8.370 nan 0.000 0.457 106 A N 2.949 125.476 122.820 -0.488 0.000 2.337 106 A HA 0.489 4.809 4.320 -0.000 0.000 0.227 106 A C 0.790 178.305 177.584 -0.115 0.000 1.259 106 A CA 0.384 52.131 52.037 -0.484 0.000 0.870 106 A CB -0.087 18.179 19.000 -1.222 0.000 0.927 106 A HN 0.686 nan 8.150 nan 0.000 0.497 107 G N -2.701 106.092 108.800 -0.011 0.000 2.380 107 G HA2 0.541 4.501 3.960 -0.000 0.000 0.250 107 G HA3 0.541 4.501 3.960 -0.000 0.000 0.250 107 G C 0.239 175.191 174.900 0.087 0.000 1.578 107 G CA 0.242 45.386 45.100 0.075 0.000 0.974 107 G HN 1.826 nan 8.290 nan 0.000 0.680 108 G N 0.870 109.683 108.800 0.022 0.000 1.829 108 G HA2 0.475 4.435 3.960 -0.000 0.000 0.214 108 G HA3 0.475 4.435 3.960 -0.000 0.000 0.214 108 G C 1.102 176.012 174.900 0.016 0.000 1.627 108 G CA 1.319 46.422 45.100 0.005 0.000 1.390 108 G HN 2.570 nan 8.290 nan 0.000 0.458 109 A N 1.222 124.015 122.820 -0.045 0.000 2.616 109 A HA 0.512 4.832 4.320 -0.000 0.000 0.234 109 A C 1.093 178.737 177.584 0.100 0.000 1.024 109 A CA 2.179 54.209 52.037 -0.011 0.000 0.758 109 A CB -0.269 18.584 19.000 -0.246 0.000 0.939 109 A HN 2.249 nan 8.150 nan 0.000 0.510 110 G N -0.465 108.472 108.800 0.227 0.000 3.175 110 G HA2 0.419 4.379 3.960 -0.000 0.000 0.255 110 G HA3 0.419 4.379 3.960 -0.000 0.000 0.255 110 G C 0.432 175.449 174.900 0.195 0.000 1.352 110 G CA 0.120 45.324 45.100 0.172 0.000 1.037 110 G HN 0.755 nan 8.290 nan 0.000 0.556 111 Y N 1.085 121.405 120.300 0.034 0.000 2.193 111 Y HA -0.081 4.468 4.550 -0.000 0.000 0.285 111 Y C -0.178 175.721 175.900 -0.002 0.000 1.166 111 Y CA 2.439 60.542 58.100 0.004 0.000 1.181 111 Y CB -0.609 37.840 38.460 -0.017 0.000 0.976 111 Y HN 0.308 nan 8.280 nan 0.000 0.520 112 P HA -0.147 nan 4.420 nan 0.000 0.220 112 P C 1.312 178.463 177.300 -0.249 0.000 1.148 112 P CA 1.577 64.570 63.100 -0.179 0.000 0.803 112 P CB -0.243 31.365 31.700 -0.154 0.000 0.782 113 F N 0.493 120.372 119.950 -0.119 0.000 2.163 113 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 113 F C 2.431 178.131 175.800 -0.167 0.000 1.094 113 F CA 1.359 59.289 58.000 -0.117 0.000 1.290 113 F CB -0.701 38.249 39.000 -0.083 0.000 1.017 113 F HN -0.184 nan 8.300 nan 0.000 0.483 114 K N 0.694 121.079 120.400 -0.026 0.000 2.001 114 K HA -0.285 4.035 4.320 -0.000 0.000 0.214 114 K C 2.058 178.506 176.600 -0.254 0.000 1.050 114 K CA 2.303 58.489 56.287 -0.168 0.000 0.934 114 K CB -0.317 32.032 32.500 -0.251 0.000 0.718 114 K HN 0.448 nan 8.250 nan 0.000 0.443 115 Q N -0.524 119.021 119.800 -0.425 0.000 2.230 115 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 115 Q C 1.948 177.829 176.000 -0.198 0.000 0.963 115 Q CA 1.064 56.651 55.803 -0.361 0.000 0.866 115 Q CB -0.215 28.229 28.738 -0.489 0.000 0.931 115 Q HN 0.318 nan 8.270 nan 0.000 0.452 116 A N 1.289 124.007 122.820 -0.171 0.000 1.933 116 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 116 A C 2.347 179.894 177.584 -0.061 0.000 1.175 116 A CA 1.438 53.409 52.037 -0.110 0.000 0.628 116 A CB -0.727 18.198 19.000 -0.123 0.000 0.814 116 A HN 0.243 nan 8.150 nan 0.000 0.444 117 V N 0.019 119.901 119.914 -0.054 0.000 2.379 117 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 117 V C 2.567 178.633 176.094 -0.047 0.000 1.044 117 V CA 2.029 64.302 62.300 -0.045 0.000 1.036 117 V CB -0.559 31.232 31.823 -0.054 0.000 0.664 117 V HN 0.495 nan 8.190 nan 0.000 0.453 118 E N 0.628 120.782 120.200 -0.077 0.000 2.106 118 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 118 E C 2.378 178.960 176.600 -0.031 0.000 0.984 118 E CA 1.541 57.905 56.400 -0.061 0.000 0.806 118 E CB -0.464 29.179 29.700 -0.095 0.000 0.750 118 E HN 0.727 nan 8.360 nan 0.000 0.458 119 S N -0.695 114.979 115.700 -0.043 0.000 2.607 119 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 119 S C 1.591 176.192 174.600 0.000 0.000 0.969 119 S CA 0.709 58.895 58.200 -0.023 0.000 0.927 119 S CB -0.110 63.068 63.200 -0.038 0.000 0.772 119 S HN 0.301 nan 8.310 nan 0.000 0.533 120 G N 1.077 109.886 108.800 0.015 0.000 2.175 120 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.265 120 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.265 120 G C 0.516 175.436 174.900 0.034 0.000 0.979 120 G CA 0.481 45.612 45.100 0.051 0.000 0.663 120 G HN 0.767 nan 8.290 nan 0.000 0.533 121 L N -0.374 120.851 121.223 0.004 0.000 2.362 121 L HA 0.590 4.930 4.340 -0.000 0.000 0.219 121 L C 0.970 177.840 176.870 0.001 0.000 1.134 121 L CA 1.436 56.273 54.840 -0.005 0.000 0.807 121 L CB 0.159 42.200 42.059 -0.030 0.000 0.927 121 L HN 0.479 nan 8.230 nan 0.000 0.447 122 V N -0.551 119.366 119.914 0.006 0.000 3.012 122 V HA 0.374 4.494 4.120 -0.000 0.000 0.307 122 V C -0.951 175.143 176.094 -0.000 0.000 1.166 122 V CA -0.857 61.449 62.300 0.011 0.000 0.974 122 V CB 2.382 34.216 31.823 0.017 0.000 1.040 122 V HN 0.190 nan 8.190 nan 0.000 0.428 123 E N 2.257 122.446 120.200 -0.017 0.000 2.197 123 E HA 0.728 5.078 4.350 -0.000 0.000 0.281 123 E C -0.017 176.483 176.600 -0.167 0.000 0.995 123 E CA 0.179 56.513 56.400 -0.110 0.000 0.808 123 E CB 1.903 31.557 29.700 -0.075 0.000 1.093 123 E HN 1.029 nan 8.360 nan 0.000 0.394 124 G N 3.002 111.641 108.800 -0.269 0.000 2.342 124 G HA2 0.252 4.211 3.960 -0.000 0.000 0.297 124 G HA3 0.252 4.211 3.960 -0.000 0.000 0.297 124 G C -3.060 171.703 174.900 -0.229 0.000 1.313 124 G CA -0.949 44.024 45.100 -0.211 0.000 0.830 124 G HN 0.270 nan 8.290 nan 0.000 0.506 125 P HA 0.294 nan 4.420 nan 0.000 0.272 125 P C -0.100 177.157 177.300 -0.071 0.000 1.230 125 P CA -0.509 62.541 63.100 -0.084 0.000 0.788 125 P CB 0.566 32.263 31.700 -0.006 0.000 0.949 126 R N 2.004 122.475 120.500 -0.048 0.000 2.537 126 R HA 0.089 4.428 4.340 -0.000 0.000 0.281 126 R C -0.577 175.718 176.300 -0.007 0.000 0.988 126 R CA 0.172 56.242 56.100 -0.051 0.000 1.077 126 R CB -0.447 29.829 30.300 -0.039 0.000 0.932 126 R HN 0.460 nan 8.270 nan 0.000 0.409 127 L N 5.834 127.006 121.223 -0.084 0.000 2.296 127 L HA 0.392 4.732 4.340 -0.000 0.000 0.286 127 L C -0.826 175.965 176.870 -0.132 0.000 1.023 127 L CA -0.647 54.165 54.840 -0.046 0.000 0.812 127 L CB 1.194 43.215 42.059 -0.062 0.000 1.223 127 L HN 0.550 nan 8.230 nan 0.000 0.421 128 F N 3.299 123.227 119.950 -0.037 0.000 2.332 128 F HA 0.406 4.932 4.527 -0.000 0.000 0.368 128 F C 0.301 176.077 175.800 -0.039 0.000 1.110 128 F CA -0.795 57.194 58.000 -0.019 0.000 1.087 128 F CB 1.631 40.625 39.000 -0.009 0.000 1.235 128 F HN 0.141 nan 8.300 nan 0.000 0.470 129 V N -0.018 119.947 119.914 0.084 0.000 2.630 129 V HA 0.579 4.699 4.120 -0.000 0.000 0.305 129 V C 0.258 176.363 176.094 0.017 0.000 1.046 129 V CA -0.468 61.853 62.300 0.036 0.000 0.934 129 V CB 1.685 33.532 31.823 0.041 0.000 1.003 129 V HN 0.644 nan 8.190 nan 0.000 0.451 130 S N 1.781 117.472 115.700 -0.015 0.000 2.502 130 S HA 0.483 4.953 4.470 -0.000 0.000 0.215 130 S C 1.219 175.811 174.600 -0.014 0.000 1.009 130 S CA 0.540 58.719 58.200 -0.036 0.000 0.908 130 S CB 0.103 63.269 63.200 -0.058 0.000 0.801 130 S HN 1.958 nan 8.310 nan 0.000 0.505 131 G N 2.392 111.198 108.800 0.010 0.000 2.531 131 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.274 131 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.274 131 G C -0.408 174.500 174.900 0.015 0.000 1.159 131 G CA -0.414 44.701 45.100 0.024 0.000 0.969 131 G HN 0.438 nan 8.290 nan 0.000 0.554 132 R N 0.976 121.483 120.500 0.012 0.000 2.297 132 R HA 0.611 4.951 4.340 -0.000 0.000 0.308 132 R C 0.768 177.074 176.300 0.010 0.000 1.029 132 R CA 0.067 56.172 56.100 0.009 0.000 0.929 132 R CB 1.266 31.570 30.300 0.008 0.000 1.046 132 R HN 1.003 nan 8.270 nan 0.000 0.461 133 A N 4.203 127.031 122.820 0.013 0.000 2.483 133 A HA 0.175 4.495 4.320 -0.000 0.000 0.238 133 A C 0.045 177.655 177.584 0.044 0.000 1.070 133 A CA -0.131 51.924 52.037 0.030 0.000 0.770 133 A CB 0.247 19.268 19.000 0.035 0.000 1.008 133 A HN 0.622 nan 8.150 nan 0.000 0.497 134 L N 2.021 123.296 121.223 0.087 0.000 2.275 134 L HA 0.483 4.823 4.340 -0.000 0.000 0.288 134 L C 0.557 177.548 176.870 0.202 0.000 1.046 134 L CA -0.143 54.786 54.840 0.148 0.000 0.805 134 L CB 1.342 43.503 42.059 0.170 0.000 1.193 134 L HN 0.722 nan 8.230 nan 0.000 0.426 135 S N 2.185 117.955 115.700 0.117 0.000 2.568 135 S HA 0.434 4.904 4.470 -0.000 0.000 0.293 135 S C -0.585 173.925 174.600 -0.150 0.000 1.089 135 S CA -0.763 57.407 58.200 -0.051 0.000 0.945 135 S CB 1.833 64.986 63.200 -0.077 0.000 1.077 135 S HN 0.661 nan 8.310 nan 0.000 0.485 136 Q N 1.529 121.013 119.800 -0.527 0.000 2.396 136 Q HA 0.402 4.742 4.340 -0.000 0.000 0.221 136 Q C -0.355 175.555 176.000 -0.150 0.000 1.025 136 Q CA -0.526 55.056 55.803 -0.368 0.000 0.946 136 Q CB -0.186 28.242 28.738 -0.518 0.000 1.224 136 Q HN 0.476 nan 8.270 nan 0.000 0.539 137 T N 0.913 115.424 114.554 -0.072 0.000 2.934 137 T HA 0.231 4.581 4.350 -0.000 0.000 0.306 137 T C 1.004 175.668 174.700 -0.059 0.000 1.042 137 T CA 1.192 63.264 62.100 -0.048 0.000 1.145 137 T CB -0.146 68.710 68.868 -0.021 0.000 0.982 137 T HN 0.953 nan 8.240 nan 0.000 0.544 138 G N 2.737 111.505 108.800 -0.054 0.000 2.233 138 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.270 138 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.270 138 G C 0.550 175.422 174.900 -0.046 0.000 1.011 138 G CA 0.142 45.213 45.100 -0.048 0.000 0.762 138 G HN 1.123 nan 8.290 nan 0.000 0.511 139 G N -1.970 106.787 108.800 -0.071 0.000 2.563 139 G HA2 0.437 4.397 3.960 -0.000 0.000 0.283 139 G HA3 0.437 4.397 3.960 -0.000 0.000 0.283 139 G C 0.614 175.498 174.900 -0.025 0.000 1.309 139 G CA 0.440 45.500 45.100 -0.067 0.000 1.022 139 G HN 0.607 nan 8.290 nan 0.000 0.501 140 H N -0.778 118.226 119.070 -0.111 0.000 2.489 140 H HA 0.116 4.671 4.556 -0.000 0.000 0.293 140 H C 2.041 177.289 175.328 -0.134 0.000 1.066 140 H CA 1.768 57.738 56.048 -0.130 0.000 1.305 140 H CB 0.145 29.761 29.762 -0.243 0.000 1.386 140 H HN 0.370 nan 8.280 nan 0.000 0.551 141 A N -0.313 122.379 122.820 -0.214 0.000 2.500 141 A HA 0.145 4.465 4.320 -0.000 0.000 0.267 141 A C 0.095 177.589 177.584 -0.150 0.000 1.290 141 A CA 0.054 51.950 52.037 -0.234 0.000 0.928 141 A CB 0.079 18.993 19.000 -0.143 0.000 1.066 141 A HN 0.374 nan 8.150 nan 0.000 0.516 142 D N 0.917 121.241 120.400 -0.127 0.000 2.373 142 D HA 0.285 4.925 4.640 -0.000 0.000 0.227 142 D C -1.807 174.437 176.300 -0.092 0.000 1.091 142 D CA -1.904 52.042 54.000 -0.091 0.000 0.840 142 D CB 1.673 42.429 40.800 -0.073 0.000 1.060 142 D HN 0.095 nan 8.370 nan 0.000 0.502 143 P HA 0.046 nan 4.420 nan 0.000 0.245 143 P C 0.109 177.370 177.300 -0.065 0.000 1.206 143 P CA -0.042 63.011 63.100 -0.079 0.000 0.781 143 P CB 0.390 32.048 31.700 -0.069 0.000 0.994 144 R N 0.724 121.183 120.500 -0.068 0.000 2.570 144 R HA 0.364 4.704 4.340 -0.000 0.000 0.277 144 R C 0.738 176.988 176.300 -0.083 0.000 1.039 144 R CA -0.238 55.814 56.100 -0.079 0.000 1.065 144 R CB 0.221 30.464 30.300 -0.095 0.000 0.964 144 R HN 0.084 nan 8.270 nan 0.000 0.428 145 A N 2.983 125.749 122.820 -0.090 0.000 2.366 145 A HA 0.120 4.440 4.320 -0.000 0.000 0.249 145 A C 0.165 177.678 177.584 -0.119 0.000 1.084 145 A CA -0.342 51.645 52.037 -0.083 0.000 0.794 145 A CB 0.340 19.302 19.000 -0.064 0.000 1.034 145 A HN 0.814 nan 8.150 nan 0.000 0.491 146 R N 1.076 121.523 120.500 -0.087 0.000 2.234 146 R HA 0.480 4.820 4.340 -0.000 0.000 0.324 146 R C -0.154 176.089 176.300 -0.096 0.000 1.054 146 R CA 0.461 56.506 56.100 -0.091 0.000 0.912 146 R CB 0.486 30.755 30.300 -0.052 0.000 1.030 146 R HN 0.762 nan 8.270 nan 0.000 0.455 147 S N 1.217 116.829 115.700 -0.146 0.000 3.121 147 S HA 0.157 4.626 4.470 -0.000 0.000 0.324 147 S C -1.065 173.514 174.600 -0.034 0.000 1.192 147 S CA -0.478 57.673 58.200 -0.081 0.000 0.937 147 S CB 1.034 64.172 63.200 -0.103 0.000 1.336 147 S HN 0.797 nan 8.310 nan 0.000 0.664 148 D N 0.599 121.070 120.400 0.118 0.000 2.587 148 D HA 0.245 4.885 4.640 -0.000 0.000 0.233 148 D C -0.205 176.245 176.300 0.250 0.000 1.213 148 D CA -0.083 54.002 54.000 0.142 0.000 0.827 148 D CB -0.716 40.162 40.800 0.129 0.000 1.006 148 D HN 0.516 nan 8.370 nan 0.000 0.490 149 Y N -3.591 116.708 120.300 -0.001 0.000 2.641 149 Y HA 0.509 5.059 4.550 -0.000 0.000 0.333 149 Y C -1.514 174.385 175.900 -0.001 0.000 1.174 149 Y CA -1.552 56.548 58.100 -0.001 0.000 1.057 149 Y CB 0.983 39.442 38.460 -0.001 0.000 1.322 149 Y HN -0.266 nan 8.280 nan 0.000 0.457 150 M N 3.795 123.390 119.600 -0.008 0.000 2.044 150 M HA 0.410 4.890 4.480 -0.000 0.000 0.333 150 M C -2.793 173.520 176.300 0.021 0.000 1.004 150 M CA -1.688 53.563 55.300 -0.082 0.000 0.954 150 M CB 0.565 33.148 32.600 -0.028 0.000 1.468 150 M HN 0.545 nan 8.290 nan 0.000 0.414 151 P HA 0.384 nan 4.420 nan 0.000 0.274 151 P C -2.519 174.796 177.300 0.026 0.000 1.237 151 P CA -0.911 62.233 63.100 0.073 0.000 0.793 151 P CB -0.401 31.336 31.700 0.062 0.000 0.977 152 P HA -0.019 nan 4.420 nan 0.000 0.269 152 P C 0.489 177.793 177.300 0.006 0.000 1.215 152 P CA 0.150 63.261 63.100 0.019 0.000 0.780 152 P CB 0.425 32.139 31.700 0.023 0.000 0.898 153 D N 0.548 120.948 120.400 -0.000 0.000 2.104 153 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 153 D C -0.059 176.239 176.300 -0.004 0.000 0.994 153 D CA 1.624 55.619 54.000 -0.008 0.000 0.830 153 D CB 0.075 40.871 40.800 -0.006 0.000 0.959 153 D HN 0.200 nan 8.370 nan 0.000 0.452 154 S N -0.621 115.080 115.700 0.002 0.000 2.454 154 S HA 0.352 4.821 4.470 -0.000 0.000 0.306 154 S C -1.826 172.779 174.600 0.008 0.000 1.100 154 S CA -1.155 57.047 58.200 0.003 0.000 1.087 154 S CB 1.976 65.178 63.200 0.004 0.000 1.019 154 S HN 0.075 nan 8.310 nan 0.000 0.480 155 P HA 0.018 nan 4.420 nan 0.000 0.216 155 P C 0.157 177.463 177.300 0.009 0.000 1.153 155 P CA 0.652 63.758 63.100 0.011 0.000 0.844 155 P CB -0.110 31.596 31.700 0.011 0.000 0.787 156 C N -1.108 118.197 119.300 0.007 0.000 2.184 156 C HA 0.798 5.258 4.460 -0.000 0.000 0.328 156 C C 1.918 176.911 174.990 0.005 0.000 1.081 156 C CA -0.886 58.135 59.018 0.005 0.000 1.533 156 C CB -0.324 27.418 27.740 0.004 0.000 1.905 156 C HN 0.314 nan 8.230 nan 0.000 0.439 157 G N 2.865 111.669 108.800 0.006 0.000 3.017 157 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.232 157 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.232 157 G C 1.457 176.360 174.900 0.004 0.000 1.165 157 G CA 2.336 47.440 45.100 0.005 0.000 0.761 157 G HN 1.517 nan 8.290 nan 0.000 0.876 158 C N -0.743 118.558 119.300 0.003 0.000 2.511 158 C HA 0.457 4.916 4.460 -0.000 0.000 0.277 158 C C 1.392 176.383 174.990 0.002 0.000 1.451 158 C CA -1.044 57.975 59.018 0.001 0.000 1.735 158 C CB -1.902 25.838 27.740 -0.000 0.000 1.704 158 C HN 0.327 nan 8.230 nan 0.000 0.571 159 C N 2.476 121.777 119.300 0.002 0.000 2.265 159 C HA 0.566 5.026 4.460 -0.000 0.000 0.332 159 C C 0.498 175.491 174.990 0.004 0.000 1.248 159 C CA -0.404 58.615 59.018 0.002 0.000 1.727 159 C CB -0.186 27.555 27.740 0.002 0.000 2.348 159 C HN 0.494 nan 8.230 nan 0.000 0.519 160 V N 6.589 126.506 119.914 0.006 0.000 2.530 160 V HA 0.284 4.404 4.120 -0.000 0.000 0.282 160 V C 0.527 176.628 176.094 0.012 0.000 1.048 160 V CA -0.248 62.058 62.300 0.010 0.000 0.997 160 V CB 0.383 32.216 31.823 0.016 0.000 0.987 160 V HN 0.694 nan 8.190 nan 0.000 0.477 161 R N 3.491 123.998 120.500 0.012 0.000 2.265 161 R HA 0.268 4.607 4.340 -0.000 0.000 0.314 161 R C 0.952 177.269 176.300 0.028 0.000 1.053 161 R CA -0.392 55.717 56.100 0.014 0.000 0.931 161 R CB 1.236 31.540 30.300 0.007 0.000 1.024 161 R HN 0.553 nan 8.270 nan 0.000 0.457 162 V N 2.513 122.450 119.914 0.039 0.000 2.392 162 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 162 V C 2.087 178.226 176.094 0.074 0.000 1.059 162 V CA 2.462 64.809 62.300 0.080 0.000 1.051 162 V CB -0.534 31.343 31.823 0.090 0.000 0.658 162 V HN 1.006 nan 8.190 nan 0.000 0.455 163 G N -0.605 108.217 108.800 0.037 0.000 2.920 163 G HA2 0.250 4.210 3.960 -0.000 0.000 0.208 163 G HA3 0.250 4.210 3.960 -0.000 0.000 0.208 163 G C 0.604 175.497 174.900 -0.012 0.000 1.159 163 G CA 0.485 45.591 45.100 0.010 0.000 0.784 163 G HN 0.616 nan 8.290 nan 0.000 0.535 164 A N 0.173 122.991 122.820 -0.004 0.000 2.354 164 A HA 0.576 4.895 4.320 -0.000 0.000 0.281 164 A C 1.038 178.604 177.584 -0.030 0.000 1.174 164 A CA -0.441 51.583 52.037 -0.022 0.000 0.828 164 A CB 0.685 19.677 19.000 -0.013 0.000 1.099 164 A HN 0.119 nan 8.150 nan 0.000 0.516 165 L N 2.793 123.978 121.223 -0.064 0.000 2.209 165 L HA 0.204 4.544 4.340 -0.000 0.000 0.207 165 L C 1.489 178.326 176.870 -0.055 0.000 1.094 165 L CA 1.973 56.768 54.840 -0.075 0.000 0.790 165 L CB -0.435 41.526 42.059 -0.165 0.000 0.932 165 L HN 0.790 nan 8.230 nan 0.000 0.447 166 G N -1.039 107.724 108.800 -0.062 0.000 2.818 166 G HA2 0.687 4.647 3.960 -0.000 0.000 0.286 166 G HA3 0.687 4.647 3.960 -0.000 0.000 0.286 166 G C -1.269 173.616 174.900 -0.025 0.000 1.364 166 G CA -0.718 44.356 45.100 -0.043 0.000 0.938 166 G HN 0.103 nan 8.290 nan 0.000 0.490 167 R N -1.188 119.308 120.500 -0.006 0.000 2.698 167 R HA 0.680 5.020 4.340 -0.000 0.000 0.275 167 R C -1.813 174.499 176.300 0.020 0.000 1.001 167 R CA -0.779 55.323 56.100 0.004 0.000 0.896 167 R CB 1.965 32.272 30.300 0.012 0.000 1.218 167 R HN 0.323 nan 8.270 nan 0.000 0.462 168 V N 1.551 121.474 119.914 0.015 0.000 2.432 168 V HA 0.691 4.811 4.120 -0.000 0.000 0.275 168 V C -0.216 175.912 176.094 0.057 0.000 1.043 168 V CA -0.177 62.138 62.300 0.024 0.000 0.925 168 V CB 1.093 32.916 31.823 -0.001 0.000 0.985 168 V HN 0.942 nan 8.190 nan 0.000 0.466 169 A N 4.583 127.471 122.820 0.113 0.000 2.427 169 A HA 0.757 5.077 4.320 -0.000 0.000 0.298 169 A C -1.173 176.541 177.584 0.217 0.000 1.036 169 A CA -0.683 51.436 52.037 0.137 0.000 0.701 169 A CB 1.350 20.427 19.000 0.128 0.000 1.250 169 A HN 0.726 nan 8.150 nan 0.000 0.412 170 D N 0.906 121.394 120.400 0.147 0.000 2.780 170 D HA 0.614 5.254 4.640 -0.000 0.000 0.242 170 D C 0.208 176.571 176.300 0.106 0.000 1.135 170 D CA 0.948 55.046 54.000 0.163 0.000 0.859 170 D CB 2.061 42.920 40.800 0.099 0.000 1.530 170 D HN 1.531 nan 8.370 nan 0.000 0.493 171 G N 0.020 108.884 108.800 0.107 0.000 2.712 171 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 171 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 171 G C 0.776 175.685 174.900 0.014 0.000 1.321 171 G CA -0.470 44.662 45.100 0.054 0.000 0.813 171 G HN 0.338 nan 8.290 nan 0.000 0.599 172 V N 0.793 120.707 119.914 -0.001 0.000 2.407 172 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 172 V C 2.577 178.657 176.094 -0.023 0.000 1.055 172 V CA 2.804 65.089 62.300 -0.025 0.000 1.049 172 V CB -0.501 31.311 31.823 -0.018 0.000 0.662 172 V HN 0.770 nan 8.190 nan 0.000 0.455 173 D N -0.470 119.925 120.400 -0.008 0.000 2.144 173 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 173 D C 2.224 178.520 176.300 -0.008 0.000 0.978 173 D CA 1.064 55.059 54.000 -0.007 0.000 0.833 173 D CB -0.065 40.735 40.800 -0.000 0.000 0.961 173 D HN 0.501 nan 8.370 nan 0.000 0.470 174 E N 0.059 120.259 120.200 0.001 0.000 2.072 174 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 174 E C 2.274 178.871 176.600 -0.005 0.000 0.985 174 E CA 0.978 57.383 56.400 0.008 0.000 0.801 174 E CB 0.243 29.960 29.700 0.028 0.000 0.750 174 E HN 0.205 nan 8.360 nan 0.000 0.452 175 V N -0.862 119.035 119.914 -0.027 0.000 2.427 175 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 175 V C 2.167 178.223 176.094 -0.064 0.000 1.051 175 V CA 1.389 63.648 62.300 -0.068 0.000 1.048 175 V CB -0.521 31.192 31.823 -0.184 0.000 0.666 175 V HN 0.128 nan 8.190 nan 0.000 0.456 176 R N 0.157 120.624 120.500 -0.054 0.000 2.073 176 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 176 R C 2.690 178.972 176.300 -0.031 0.000 1.134 176 R CA 2.059 58.133 56.100 -0.044 0.000 0.952 176 R CB -0.418 29.861 30.300 -0.034 0.000 0.850 176 R HN 0.554 nan 8.270 nan 0.000 0.433 177 R N 0.235 120.721 120.500 -0.022 0.000 2.092 177 R HA -0.079 4.260 4.340 -0.000 0.000 0.231 177 R C 2.059 178.349 176.300 -0.016 0.000 1.119 177 R CA 1.369 57.459 56.100 -0.016 0.000 0.970 177 R CB -0.116 30.178 30.300 -0.009 0.000 0.864 177 R HN 0.192 nan 8.270 nan 0.000 0.440 178 A N 0.079 122.890 122.820 -0.015 0.000 1.898 178 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 178 A C 2.189 179.762 177.584 -0.019 0.000 1.181 178 A CA 1.270 53.301 52.037 -0.010 0.000 0.620 178 A CB -0.363 18.638 19.000 0.002 0.000 0.819 178 A HN 0.204 nan 8.150 nan 0.000 0.442 179 V N 0.266 120.162 119.914 -0.030 0.000 2.307 179 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 179 V C 2.598 178.671 176.094 -0.035 0.000 1.045 179 V CA 2.182 64.460 62.300 -0.037 0.000 1.024 179 V CB -0.855 30.939 31.823 -0.048 0.000 0.651 179 V HN 0.527 nan 8.190 nan 0.000 0.449 180 R N -0.157 120.324 120.500 -0.032 0.000 2.105 180 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 180 R C 2.274 178.555 176.300 -0.032 0.000 1.135 180 R CA 1.723 57.805 56.100 -0.031 0.000 0.967 180 R CB -0.294 29.991 30.300 -0.026 0.000 0.861 180 R HN 0.625 nan 8.270 nan 0.000 0.442 181 E N 0.260 120.444 120.200 -0.027 0.000 2.047 181 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 181 E C 1.987 178.570 176.600 -0.029 0.000 0.987 181 E CA 0.779 57.164 56.400 -0.025 0.000 0.799 181 E CB 0.146 29.837 29.700 -0.016 0.000 0.752 181 E HN 0.246 nan 8.360 nan 0.000 0.449 182 E N 0.741 120.925 120.200 -0.026 0.000 2.077 182 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 182 E C 2.285 178.861 176.600 -0.040 0.000 0.989 182 E CA 0.754 57.139 56.400 -0.025 0.000 0.800 182 E CB -0.234 29.453 29.700 -0.022 0.000 0.746 182 E HN 0.308 nan 8.360 nan 0.000 0.452 183 L N 0.839 122.034 121.223 -0.047 0.000 2.046 183 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 183 L C 2.793 179.615 176.870 -0.079 0.000 1.077 183 L CA 1.633 56.438 54.840 -0.058 0.000 0.747 183 L CB -0.471 41.558 42.059 -0.050 0.000 0.896 183 L HN 0.160 nan 8.230 nan 0.000 0.432 184 Q N -0.025 119.733 119.800 -0.070 0.000 2.167 184 Q HA -0.184 4.155 4.340 -0.000 0.000 0.202 184 Q C 1.979 177.909 176.000 -0.117 0.000 0.970 184 Q CA 1.666 57.418 55.803 -0.084 0.000 0.855 184 Q CB -0.339 28.364 28.738 -0.059 0.000 0.911 184 Q HN 0.428 nan 8.270 nan 0.000 0.438 185 M N -0.617 118.926 119.600 -0.094 0.000 2.562 185 M HA 0.168 4.648 4.480 -0.000 0.000 0.257 185 M C 0.466 176.666 176.300 -0.167 0.000 1.099 185 M CA 1.004 56.246 55.300 -0.095 0.000 1.099 185 M CB 0.375 32.956 32.600 -0.030 0.000 1.427 185 M HN 0.603 nan 8.290 nan 0.000 0.489 186 G N 0.410 109.096 108.800 -0.190 0.000 2.145 186 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.145 186 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.145 186 G C 0.018 174.881 174.900 -0.062 0.000 1.017 186 G CA -0.244 44.679 45.100 -0.295 0.000 0.682 186 G HN 0.618 nan 8.290 nan 0.000 0.504 187 A N 0.062 122.864 122.820 -0.030 0.000 2.483 187 A HA 0.531 4.851 4.320 -0.000 0.000 0.238 187 A C 1.180 178.761 177.584 -0.005 0.000 1.070 187 A CA 0.856 52.894 52.037 0.001 0.000 0.770 187 A CB 0.351 19.338 19.000 -0.022 0.000 1.008 187 A HN 0.211 nan 8.150 nan 0.000 0.497 188 D N -0.250 120.162 120.400 0.020 0.000 2.271 188 D HA 0.019 4.659 4.640 -0.000 0.000 0.206 188 D C 0.758 177.043 176.300 -0.026 0.000 0.967 188 D CA 1.006 55.035 54.000 0.049 0.000 0.867 188 D CB 0.358 41.252 40.800 0.156 0.000 0.960 188 D HN 0.763 nan 8.370 nan 0.000 0.509 189 Q N -0.244 119.485 119.800 -0.117 0.000 2.737 189 Q HA 0.321 4.661 4.340 -0.000 0.000 0.307 189 Q C -1.447 174.409 176.000 -0.240 0.000 0.905 189 Q CA -0.691 54.916 55.803 -0.328 0.000 0.753 189 Q CB 1.590 29.922 28.738 -0.676 0.000 1.463 189 Q HN -0.182 nan 8.270 nan 0.000 0.455 193 M N 3.447 123.163 119.600 0.194 0.000 2.088 193 M HA 0.520 4.999 4.480 -0.000 0.000 0.346 193 M C 0.423 176.820 176.300 0.163 0.000 1.111 193 M CA -0.381 55.012 55.300 0.156 0.000 1.017 193 M CB 0.792 33.423 32.600 0.051 0.000 1.568 193 M HN 0.874 nan 8.290 nan 0.000 0.445 194 A N 2.151 125.081 122.820 0.184 0.000 2.465 194 A HA 0.467 4.787 4.320 -0.000 0.000 0.255 194 A C 0.613 178.258 177.584 0.103 0.000 1.274 194 A CA 0.071 52.184 52.037 0.126 0.000 0.920 194 A CB 0.333 19.378 19.000 0.074 0.000 1.033 194 A HN 0.754 nan 8.150 nan 0.000 0.516 195 S N -1.856 113.953 115.700 0.183 0.000 2.611 195 S HA 0.574 5.044 4.470 -0.000 0.000 0.268 195 S C 0.105 174.842 174.600 0.229 0.000 1.156 195 S CA 0.101 58.425 58.200 0.207 0.000 0.817 195 S CB 0.468 63.758 63.200 0.151 0.000 1.122 195 S HN 1.001 nan 8.310 nan 0.000 0.466 196 G N -0.013 108.921 108.800 0.223 0.000 2.569 196 G HA2 0.566 4.526 3.960 -0.000 0.000 0.249 196 G HA3 0.566 4.526 3.960 -0.000 0.000 0.249 196 G C 0.303 175.342 174.900 0.232 0.000 1.216 196 G CA 0.047 45.259 45.100 0.186 0.000 0.845 196 G HN 1.123 nan 8.290 nan 0.000 0.568 197 G N -1.413 107.395 108.800 0.012 0.000 2.680 197 G HA2 0.467 4.426 3.960 -0.000 0.000 0.290 197 G HA3 0.467 4.426 3.960 -0.000 0.000 0.290 197 G C 0.490 175.476 174.900 0.144 0.000 1.355 197 G CA -0.091 44.854 45.100 -0.259 0.000 0.903 197 G HN 0.578 nan 8.290 nan 0.000 0.474 198 V N 0.834 120.876 119.914 0.213 0.000 2.302 198 V HA 0.072 4.192 4.120 -0.000 0.000 0.243 198 V C 2.749 178.969 176.094 0.211 0.000 1.036 198 V CA 1.986 64.396 62.300 0.184 0.000 1.020 198 V CB -0.576 31.346 31.823 0.165 0.000 0.657 198 V HN 0.853 nan 8.190 nan 0.000 0.453 199 A N 0.944 123.926 122.820 0.269 0.000 2.324 199 A HA 0.326 4.646 4.320 -0.000 0.000 0.240 199 A C 0.805 178.427 177.584 0.064 0.000 1.347 199 A CA 0.486 52.614 52.037 0.151 0.000 1.036 199 A CB -0.823 18.244 19.000 0.112 0.000 0.917 199 A HN 0.586 nan 8.150 nan 0.000 0.519 200 S N -1.887 113.871 115.700 0.095 0.000 2.568 200 S HA 0.621 5.090 4.470 -0.000 0.000 0.293 200 S C -2.416 172.201 174.600 0.029 0.000 1.089 200 S CA -1.431 56.774 58.200 0.007 0.000 0.945 200 S CB 1.774 64.949 63.200 -0.041 0.000 1.077 200 S HN 0.002 nan 8.310 nan 0.000 0.485 201 P HA -0.081 nan 4.420 nan 0.000 0.211 201 P C 1.249 178.551 177.300 0.003 0.000 1.179 201 P CA 2.115 65.212 63.100 -0.006 0.000 0.910 201 P CB -0.098 31.585 31.700 -0.029 0.000 0.785 202 T N -5.049 109.505 114.554 0.000 0.000 3.170 202 T HA 0.135 4.485 4.350 -0.000 0.000 0.288 202 T C -0.285 174.422 174.700 0.012 0.000 0.992 202 T CA -0.530 61.570 62.100 -0.001 0.000 0.909 202 T CB -0.634 68.223 68.868 -0.019 0.000 1.133 202 T HN 0.005 nan 8.240 nan 0.000 0.530 203 D N 1.957 122.379 120.400 0.037 0.000 2.256 203 D HA 0.434 5.074 4.640 -0.000 0.000 0.240 203 D C -2.851 173.486 176.300 0.063 0.000 1.062 203 D CA -2.238 51.793 54.000 0.053 0.000 0.832 203 D CB 1.966 42.813 40.800 0.078 0.000 1.135 203 D HN 0.117 nan 8.370 nan 0.000 0.484 204 P HA 0.025 nan 4.420 nan 0.000 0.274 204 P C 1.015 178.353 177.300 0.064 0.000 1.237 204 P CA -0.613 62.510 63.100 0.039 0.000 0.793 204 P CB 1.454 33.164 31.700 0.018 0.000 0.977 205 V N 1.843 121.782 119.914 0.042 0.000 2.427 205 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 205 V C 2.513 178.679 176.094 0.120 0.000 1.051 205 V CA 2.693 65.032 62.300 0.065 0.000 1.048 205 V CB -1.486 30.285 31.823 -0.087 0.000 0.666 205 V HN 0.829 nan 8.190 nan 0.000 0.456 206 G N -0.889 107.954 108.800 0.073 0.000 2.744 206 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.211 206 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.211 206 G C 0.697 175.676 174.900 0.131 0.000 1.143 206 G CA 0.397 45.555 45.100 0.096 0.000 0.788 206 G HN 0.328 nan 8.290 nan 0.000 0.534 207 V N 1.420 121.405 119.914 0.118 0.000 2.715 207 V HA 0.362 4.481 4.120 -0.000 0.000 0.299 207 V C -0.084 176.180 176.094 0.284 0.000 1.054 207 V CA -1.117 61.252 62.300 0.115 0.000 1.077 207 V CB 0.287 32.151 31.823 0.069 0.000 0.972 207 V HN 0.103 nan 8.190 nan 0.000 0.484 208 F N 4.255 124.224 119.950 0.031 0.000 2.506 208 F HA 0.502 5.028 4.527 -0.000 0.000 0.351 208 F C 1.067 176.877 175.800 0.017 0.000 1.136 208 F CA -0.332 57.689 58.000 0.035 0.000 1.298 208 F CB 0.676 39.697 39.000 0.035 0.000 1.145 208 F HN 0.577 nan 8.300 nan 0.000 0.593 209 G N 2.396 111.293 108.800 0.162 0.000 2.437 209 G HA2 0.488 4.448 3.960 -0.000 0.000 0.315 209 G HA3 0.488 4.448 3.960 -0.000 0.000 0.315 209 G C -1.733 173.218 174.900 0.085 0.000 1.210 209 G CA -0.375 44.737 45.100 0.020 0.000 0.943 209 G HN 0.642 nan 8.290 nan 0.000 0.471 210 Y N -0.039 120.309 120.300 0.079 0.000 2.524 210 Y HA -0.268 4.282 4.550 -0.000 0.000 0.021 210 Y C 1.176 177.108 175.900 0.054 0.000 1.721 210 Y CA 0.235 58.366 58.100 0.052 0.000 1.407 210 Y CB -0.621 37.854 38.460 0.026 0.000 2.054 210 Y HN 0.994 nan 8.280 nan 0.000 0.256 211 S N 1.039 116.898 115.700 0.265 0.000 2.624 211 S HA 0.206 4.676 4.470 -0.000 0.000 0.263 211 S C 0.772 175.428 174.600 0.094 0.000 1.287 211 S CA -0.140 58.152 58.200 0.154 0.000 0.990 211 S CB 1.514 64.786 63.200 0.120 0.000 0.950 211 S HN 0.701 nan 8.310 nan 0.000 0.561 212 E N 0.433 120.666 120.200 0.056 0.000 2.153 212 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 212 E C 1.071 177.671 176.600 0.001 0.000 0.988 212 E CA 1.212 57.623 56.400 0.017 0.000 0.811 212 E CB -0.147 29.561 29.700 0.014 0.000 0.746 212 E HN 0.618 nan 8.360 nan 0.000 0.466 213 D N 0.764 121.170 120.400 0.010 0.000 2.117 213 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 213 D C 1.710 177.987 176.300 -0.039 0.000 0.987 213 D CA 1.053 55.049 54.000 -0.006 0.000 0.829 213 D CB -0.035 40.771 40.800 0.009 0.000 0.961 213 D HN 0.281 nan 8.370 nan 0.000 0.460 214 E N 0.169 120.336 120.200 -0.055 0.000 2.028 214 E HA -0.071 4.278 4.350 -0.000 0.000 0.190 214 E C 2.428 178.891 176.600 -0.228 0.000 0.984 214 E CA 0.397 56.696 56.400 -0.168 0.000 0.800 214 E CB -0.018 29.549 29.700 -0.221 0.000 0.758 214 E HN 0.253 nan 8.360 nan 0.000 0.448 215 I N 1.108 121.577 120.570 -0.169 0.000 2.151 215 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 215 I C 2.574 178.638 176.117 -0.088 0.000 1.080 215 I CA 1.377 62.600 61.300 -0.128 0.000 1.339 215 I CB -0.336 37.635 38.000 -0.048 0.000 1.039 215 I HN 0.052 nan 8.210 nan 0.000 0.409 216 R N 0.621 121.085 120.500 -0.059 0.000 2.081 216 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 216 R C 2.467 178.740 176.300 -0.045 0.000 1.131 216 R CA 1.469 57.546 56.100 -0.039 0.000 0.960 216 R CB -0.486 29.801 30.300 -0.023 0.000 0.856 216 R HN 0.407 nan 8.270 nan 0.000 0.436 217 A N 1.211 123.994 122.820 -0.062 0.000 1.902 217 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 217 A C 2.142 179.684 177.584 -0.071 0.000 1.181 217 A CA 1.200 53.201 52.037 -0.060 0.000 0.623 217 A CB -0.440 18.519 19.000 -0.069 0.000 0.818 217 A HN 0.171 nan 8.150 nan 0.000 0.443 218 I N -0.504 120.003 120.570 -0.105 0.000 2.142 218 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 218 I C 2.392 178.472 176.117 -0.063 0.000 1.078 218 I CA 1.326 62.563 61.300 -0.105 0.000 1.343 218 I CB -0.305 37.599 38.000 -0.160 0.000 1.046 218 I HN 0.164 nan 8.210 nan 0.000 0.405 219 V N 0.967 120.853 119.914 -0.047 0.000 2.332 219 V HA -0.338 3.781 4.120 -0.000 0.000 0.248 219 V C 2.688 178.778 176.094 -0.007 0.000 1.055 219 V CA 2.036 64.327 62.300 -0.015 0.000 1.038 219 V CB -1.154 30.668 31.823 -0.001 0.000 0.651 219 V HN 0.529 nan 8.190 nan 0.000 0.450 220 A N -0.490 122.321 122.820 -0.014 0.000 1.940 220 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 220 A C 2.198 179.775 177.584 -0.011 0.000 1.176 220 A CA 1.765 53.797 52.037 -0.008 0.000 0.631 220 A CB -0.405 18.588 19.000 -0.012 0.000 0.814 220 A HN 0.532 nan 8.150 nan 0.000 0.446 221 E N -0.133 120.053 120.200 -0.024 0.000 2.106 221 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 221 E C 2.339 178.925 176.600 -0.023 0.000 0.984 221 E CA 1.189 57.574 56.400 -0.025 0.000 0.806 221 E CB -0.618 29.060 29.700 -0.036 0.000 0.750 221 E HN 0.583 nan 8.360 nan 0.000 0.458 222 A N 1.293 124.098 122.820 -0.025 0.000 1.873 222 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 222 A C 2.157 179.743 177.584 0.004 0.000 1.186 222 A CA 1.397 53.419 52.037 -0.025 0.000 0.616 222 A CB -0.503 18.472 19.000 -0.041 0.000 0.823 222 A HN 0.197 nan 8.150 nan 0.000 0.442 223 Q N -0.763 119.049 119.800 0.019 0.000 2.084 223 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 223 Q C 2.133 178.148 176.000 0.024 0.000 0.978 223 Q CA 1.127 56.952 55.803 0.036 0.000 0.844 223 Q CB -0.508 28.251 28.738 0.037 0.000 0.898 223 Q HN 0.689 nan 8.270 nan 0.000 0.426 224 G N 0.853 109.660 108.800 0.011 0.000 2.499 224 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.221 224 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.221 224 G C 1.310 176.214 174.900 0.007 0.000 1.109 224 G CA 0.475 45.578 45.100 0.006 0.000 0.749 224 G HN 0.171 nan 8.290 nan 0.000 0.568 225 R N -0.299 120.205 120.500 0.008 0.000 2.586 225 R HA 0.335 4.675 4.340 -0.000 0.000 0.336 225 R C 1.300 177.614 176.300 0.024 0.000 1.060 225 R CA 0.471 56.576 56.100 0.008 0.000 1.079 225 R CB -0.215 30.081 30.300 -0.006 0.000 1.317 225 R HN 0.247 nan 8.270 nan 0.000 0.568 226 G N 0.999 109.820 108.800 0.036 0.000 2.249 226 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 226 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 226 G C -0.002 174.948 174.900 0.085 0.000 1.036 226 G CA 1.082 46.216 45.100 0.056 0.000 0.824 226 G HN 0.455 nan 8.290 nan 0.000 0.504 227 T N -1.483 113.120 114.554 0.082 0.000 2.604 227 T HA 0.813 5.162 4.350 -0.000 0.000 0.267 227 T C -0.405 174.391 174.700 0.159 0.000 0.923 227 T CA 0.190 62.362 62.100 0.120 0.000 1.077 227 T CB 1.281 70.154 68.868 0.008 0.000 1.392 227 T HN 1.195 nan 8.240 nan 0.000 0.531 228 Y N -1.673 118.633 120.300 0.010 0.000 2.715 228 Y HA 0.842 5.392 4.550 -0.000 0.000 0.331 228 Y C -1.627 174.274 175.900 0.002 0.000 1.197 228 Y CA -1.232 56.872 58.100 0.006 0.000 1.079 228 Y CB 0.676 39.138 38.460 0.005 0.000 1.298 228 Y HN 0.353 nan 8.280 nan 0.000 0.477 229 V N 2.747 122.716 119.914 0.091 0.000 2.555 229 V HA 0.547 4.667 4.120 -0.000 0.000 0.302 229 V C -0.456 175.718 176.094 0.133 0.000 1.038 229 V CA -0.896 61.401 62.300 -0.004 0.000 0.887 229 V CB 1.521 33.356 31.823 0.021 0.000 0.991 229 V HN 0.784 nan 8.190 nan 0.000 0.434 230 L N 2.401 123.652 121.223 0.047 0.000 2.334 230 L HA 1.078 5.417 4.340 -0.000 0.000 0.276 230 L C -0.260 176.656 176.870 0.078 0.000 1.014 230 L CA -0.625 54.278 54.840 0.106 0.000 0.815 230 L CB 1.864 43.983 42.059 0.101 0.000 1.268 230 L HN 0.625 nan 8.230 nan 0.000 0.428 231 A N 0.853 123.720 122.820 0.079 0.000 2.356 231 A HA 0.465 4.785 4.320 -0.000 0.000 0.310 231 A C -1.068 176.573 177.584 0.095 0.000 1.075 231 A CA -0.572 51.522 52.037 0.094 0.000 0.746 231 A CB 0.695 19.735 19.000 0.067 0.000 1.221 231 A HN 0.962 nan 8.150 nan 0.000 0.443 232 H N 1.924 121.023 119.070 0.048 0.000 2.955 232 H HA 0.536 5.091 4.556 -0.000 0.000 0.290 232 H C -0.073 175.216 175.328 -0.065 0.000 1.047 232 H CA 0.930 57.001 56.048 0.038 0.000 1.484 232 H CB 0.416 30.261 29.762 0.138 0.000 1.501 232 H HN 0.922 nan 8.280 nan 0.000 0.521 233 A N 5.094 127.681 122.820 -0.388 0.000 2.513 233 A HA 0.292 4.611 4.320 -0.000 0.000 0.296 233 A C -1.367 175.997 177.584 -0.366 0.000 1.052 233 A CA -0.734 51.120 52.037 -0.305 0.000 0.714 233 A CB 0.414 19.347 19.000 -0.112 0.000 1.279 233 A HN 0.719 nan 8.150 nan 0.000 0.397 234 Y N 1.179 121.401 120.300 -0.130 0.000 2.382 234 Y HA 0.122 4.672 4.550 -0.000 0.000 0.292 234 Y C 2.130 177.999 175.900 -0.052 0.000 1.151 234 Y CA 1.404 59.439 58.100 -0.108 0.000 1.198 234 Y CB -0.146 38.237 38.460 -0.129 0.000 1.195 234 Y HN 0.734 nan 8.280 nan 0.000 0.530 235 T N -1.331 113.318 114.554 0.158 0.000 2.849 235 T HA 0.146 4.496 4.350 -0.000 0.000 0.284 235 T C -1.968 172.773 174.700 0.068 0.000 1.004 235 T CA -1.750 60.415 62.100 0.109 0.000 1.021 235 T CB 1.564 70.514 68.868 0.137 0.000 1.013 235 T HN -0.154 nan 8.240 nan 0.000 0.527 236 P HA 0.019 nan 4.420 nan 0.000 0.216 236 P C 1.683 179.004 177.300 0.034 0.000 1.153 236 P CA 1.407 64.529 63.100 0.037 0.000 0.848 236 P CB -0.306 31.419 31.700 0.041 0.000 0.787 237 A N -0.076 122.796 122.820 0.087 0.000 1.902 237 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 237 A C 2.294 179.831 177.584 -0.078 0.000 1.181 237 A CA 2.105 54.205 52.037 0.104 0.000 0.623 237 A CB -1.554 17.642 19.000 0.326 0.000 0.818 237 A HN 0.194 nan 8.150 nan 0.000 0.443 238 A N -0.122 122.650 122.820 -0.081 0.000 1.897 238 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 238 A C 2.114 179.596 177.584 -0.170 0.000 1.181 238 A CA 1.288 53.167 52.037 -0.262 0.000 0.620 238 A CB -0.539 18.419 19.000 -0.071 0.000 0.821 238 A HN 0.470 nan 8.150 nan 0.000 0.443 239 I N -0.081 120.438 120.570 -0.085 0.000 2.127 239 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 239 I C 3.020 179.077 176.117 -0.100 0.000 1.075 239 I CA 1.201 62.454 61.300 -0.079 0.000 1.334 239 I CB -0.479 37.493 38.000 -0.047 0.000 1.040 239 I HN 0.365 nan 8.210 nan 0.000 0.405 240 A N 1.817 124.582 122.820 -0.091 0.000 1.908 240 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 240 A C 2.391 179.896 177.584 -0.131 0.000 1.181 240 A CA 2.142 54.119 52.037 -0.100 0.000 0.627 240 A CB -0.733 18.233 19.000 -0.056 0.000 0.818 240 A HN 0.547 nan 8.150 nan 0.000 0.445 241 R N -0.636 119.771 120.500 -0.154 0.000 2.115 241 R HA 0.152 4.492 4.340 -0.000 0.000 0.226 241 R C 2.221 178.438 176.300 -0.137 0.000 1.100 241 R CA 1.254 57.260 56.100 -0.157 0.000 0.980 241 R CB -0.699 29.460 30.300 -0.234 0.000 0.875 241 R HN 0.312 nan 8.270 nan 0.000 0.445 242 A N 1.870 124.608 122.820 -0.138 0.000 1.851 242 A HA -0.101 4.218 4.320 -0.000 0.000 0.216 242 A C 2.470 179.998 177.584 -0.094 0.000 1.195 242 A CA 1.843 53.826 52.037 -0.090 0.000 0.622 242 A CB -0.772 18.187 19.000 -0.068 0.000 0.831 242 A HN 0.154 nan 8.150 nan 0.000 0.444 243 V N -0.187 119.648 119.914 -0.132 0.000 2.287 243 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 243 V C 2.608 178.540 176.094 -0.270 0.000 1.053 243 V CA 2.388 64.570 62.300 -0.197 0.000 1.027 243 V CB -0.836 30.829 31.823 -0.263 0.000 0.646 243 V HN 0.525 nan 8.190 nan 0.000 0.447 244 R N -1.251 119.095 120.500 -0.257 0.000 2.193 244 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 244 R C 1.986 178.240 176.300 -0.077 0.000 1.110 244 R CA 1.440 57.431 56.100 -0.183 0.000 0.988 244 R CB -0.415 29.819 30.300 -0.110 0.000 0.871 244 R HN 0.483 nan 8.270 nan 0.000 0.458 245 C N -1.162 118.094 119.300 -0.072 0.000 2.696 245 C HA 0.313 4.772 4.460 -0.000 0.000 0.264 245 C C 1.452 176.431 174.990 -0.018 0.000 1.288 245 C CA 0.526 59.522 59.018 -0.036 0.000 1.717 245 C CB -0.019 27.698 27.740 -0.039 0.000 1.893 245 C HN 0.784 nan 8.230 nan 0.000 0.577 246 G N -0.195 108.594 108.800 -0.017 0.000 2.205 246 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.180 246 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.180 246 G C 0.048 174.967 174.900 0.033 0.000 1.004 246 G CA 0.014 45.124 45.100 0.017 0.000 0.670 246 G HN 0.244 nan 8.290 nan 0.000 0.496 247 V N 1.542 121.464 119.914 0.015 0.000 2.529 247 V HA 0.262 4.381 4.120 -0.000 0.000 0.292 247 V C 1.783 177.921 176.094 0.074 0.000 1.028 247 V CA 1.134 63.463 62.300 0.048 0.000 1.074 247 V CB 1.313 33.152 31.823 0.026 0.000 0.958 247 V HN 0.483 nan 8.190 nan 0.000 0.481 248 R N 3.054 123.639 120.500 0.142 0.000 2.140 248 R HA 0.029 4.369 4.340 -0.000 0.000 0.213 248 R C 0.777 177.167 176.300 0.151 0.000 1.059 248 R CA 1.128 57.310 56.100 0.138 0.000 1.000 248 R CB 0.353 30.716 30.300 0.104 0.000 0.910 248 R HN 0.834 nan 8.270 nan 0.000 0.455 249 T N -1.374 113.272 114.554 0.152 0.000 2.886 249 T HA 0.463 4.812 4.350 -0.000 0.000 0.292 249 T C -0.440 174.306 174.700 0.077 0.000 1.012 249 T CA -0.957 61.216 62.100 0.122 0.000 0.982 249 T CB 1.754 70.661 68.868 0.066 0.000 1.018 249 T HN -0.109 nan 8.240 nan 0.000 0.451 250 I N 3.047 123.640 120.570 0.037 0.000 2.354 250 I HA 0.391 4.561 4.170 -0.000 0.000 0.292 250 I C 0.077 176.148 176.117 -0.078 0.000 0.989 250 I CA -0.693 60.596 61.300 -0.018 0.000 1.188 250 I CB 1.644 39.626 38.000 -0.031 0.000 1.342 250 I HN 0.736 nan 8.210 nan 0.000 0.457 251 E N 6.733 126.844 120.200 -0.149 0.000 2.249 251 E HA 0.297 4.647 4.350 -0.000 0.000 0.280 251 E C 0.462 176.746 176.600 -0.526 0.000 1.016 251 E CA -0.183 55.981 56.400 -0.393 0.000 0.830 251 E CB 0.860 30.311 29.700 -0.415 0.000 1.081 251 E HN 0.517 nan 8.360 nan 0.000 0.395 252 H N 1.995 120.939 119.070 -0.210 0.000 1.967 252 H HA -0.273 4.283 4.556 -0.000 0.000 0.090 252 H C 1.010 176.288 175.328 -0.084 0.000 0.617 252 H CA 1.246 57.206 56.048 -0.146 0.000 1.836 252 H CB -1.463 28.149 29.762 -0.250 0.000 2.161 252 H HN 0.838 nan 8.280 nan 0.000 0.950 253 G N 1.761 110.590 108.800 0.048 0.000 2.198 253 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 253 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 253 G C 0.588 175.541 174.900 0.088 0.000 1.042 253 G CA 1.035 46.157 45.100 0.036 0.000 0.791 253 G HN 0.632 nan 8.290 nan 0.000 0.502 254 N N -0.394 118.413 118.700 0.178 0.000 2.430 254 N HA 0.004 4.744 4.740 -0.000 0.000 0.186 254 N C 1.698 177.214 175.510 0.011 0.000 1.032 254 N CA 1.239 54.319 53.050 0.048 0.000 0.893 254 N CB -0.077 38.348 38.487 -0.102 0.000 0.957 254 N HN 0.606 nan 8.380 nan 0.000 0.442 255 L N 0.070 121.321 121.223 0.046 0.000 3.066 255 L HA 0.377 4.717 4.340 -0.000 0.000 0.265 255 L C 0.149 177.040 176.870 0.034 0.000 1.232 255 L CA -0.372 54.482 54.840 0.024 0.000 1.031 255 L CB 0.463 42.531 42.059 0.015 0.000 1.379 255 L HN 0.111 nan 8.230 nan 0.000 0.563 256 I N 1.258 121.844 120.570 0.027 0.000 2.754 256 I HA 0.015 4.185 4.170 -0.000 0.000 0.285 256 I C 0.033 176.159 176.117 0.016 0.000 1.166 256 I CA -0.040 61.269 61.300 0.015 0.000 1.417 256 I CB 0.699 38.699 38.000 -0.000 0.000 1.382 256 I HN 0.247 nan 8.210 nan 0.000 0.588 257 D N 4.344 124.754 120.400 0.016 0.000 2.506 257 D HA 0.206 4.846 4.640 -0.000 0.000 0.254 257 D C 0.374 176.679 176.300 0.010 0.000 1.089 257 D CA -0.472 53.540 54.000 0.021 0.000 1.050 257 D CB 0.519 41.335 40.800 0.027 0.000 1.221 257 D HN 0.419 nan 8.370 nan 0.000 0.589 258 D N -0.078 120.330 120.400 0.015 0.000 2.103 258 D HA -0.185 4.454 4.640 -0.000 0.000 0.190 258 D C 1.643 177.947 176.300 0.006 0.000 0.997 258 D CA 1.558 55.562 54.000 0.007 0.000 0.833 258 D CB -0.068 40.740 40.800 0.015 0.000 0.961 258 D HN 0.602 nan 8.370 nan 0.000 0.447 259 E N 0.019 120.226 120.200 0.012 0.000 2.033 259 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 259 E C 2.255 178.861 176.600 0.011 0.000 1.011 259 E CA 2.018 58.426 56.400 0.013 0.000 0.815 259 E CB -0.346 29.365 29.700 0.017 0.000 0.755 259 E HN 0.430 nan 8.360 nan 0.000 0.451 260 T N -0.100 114.459 114.554 0.008 0.000 2.708 260 T HA -0.122 4.227 4.350 -0.000 0.000 0.266 260 T C 2.175 176.872 174.700 -0.005 0.000 1.037 260 T CA 1.230 63.330 62.100 -0.000 0.000 1.146 260 T CB -0.498 68.368 68.868 -0.004 0.000 0.865 260 T HN 0.220 nan 8.240 nan 0.000 0.435 261 A N 2.140 124.956 122.820 -0.008 0.000 1.903 261 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 261 A C 2.571 180.149 177.584 -0.009 0.000 1.191 261 A CA 2.086 54.114 52.037 -0.015 0.000 0.638 261 A CB -0.937 18.050 19.000 -0.022 0.000 0.823 261 A HN 0.539 nan 8.150 nan 0.000 0.451 262 R N -1.406 119.093 120.500 -0.001 0.000 2.091 262 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 262 R C 2.142 178.456 176.300 0.023 0.000 1.136 262 R CA 1.618 57.721 56.100 0.004 0.000 0.959 262 R CB -0.460 29.845 30.300 0.007 0.000 0.856 262 R HN 0.527 nan 8.270 nan 0.000 0.437 263 L N 0.442 121.688 121.223 0.039 0.000 2.005 263 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 263 L C 2.078 179.019 176.870 0.119 0.000 1.072 263 L CA 1.592 56.491 54.840 0.099 0.000 0.744 263 L CB -0.708 41.382 42.059 0.052 0.000 0.895 263 L HN -0.081 nan 8.230 nan 0.000 0.433 264 V N 0.569 120.499 119.914 0.026 0.000 2.278 264 V HA -0.388 3.732 4.120 -0.000 0.000 0.251 264 V C 2.843 178.938 176.094 0.000 0.000 1.062 264 V CA 2.036 64.336 62.300 -0.001 0.000 1.038 264 V CB -1.553 30.253 31.823 -0.028 0.000 0.646 264 V HN 0.654 nan 8.190 nan 0.000 0.447 265 A N -0.452 122.359 122.820 -0.015 0.000 1.930 265 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 265 A C 2.309 179.871 177.584 -0.036 0.000 1.175 265 A CA 1.856 53.865 52.037 -0.046 0.000 0.627 265 A CB -0.511 18.463 19.000 -0.043 0.000 0.815 265 A HN 0.708 nan 8.150 nan 0.000 0.443 266 E N -0.873 119.327 120.200 0.001 0.000 2.150 266 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 266 E C 1.377 177.922 176.600 -0.092 0.000 0.985 266 E CA 1.026 57.402 56.400 -0.040 0.000 0.814 266 E CB -0.317 29.364 29.700 -0.032 0.000 0.752 266 E HN 0.789 nan 8.360 nan 0.000 0.466 267 H N -0.737 118.297 119.070 -0.059 0.000 2.539 267 H HA 0.103 4.659 4.556 -0.000 0.000 0.267 267 H C 0.949 176.229 175.328 -0.080 0.000 0.982 267 H CA 0.551 56.566 56.048 -0.055 0.000 1.146 267 H CB 0.639 30.377 29.762 -0.040 0.000 1.382 267 H HN 0.432 nan 8.280 nan 0.000 0.577 268 G N 1.227 110.004 108.800 -0.039 0.000 2.225 268 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 268 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 268 G C 0.414 175.175 174.900 -0.232 0.000 1.024 268 G CA 0.432 45.443 45.100 -0.149 0.000 0.784 268 G HN 0.650 nan 8.290 nan 0.000 0.507 269 A N -1.024 121.701 122.820 -0.158 0.000 2.242 269 A HA 0.911 5.231 4.320 -0.000 0.000 0.304 269 A C -0.280 177.144 177.584 -0.266 0.000 1.100 269 A CA -0.633 51.334 52.037 -0.118 0.000 0.860 269 A CB 0.911 19.912 19.000 0.002 0.000 1.168 269 A HN 0.677 nan 8.150 nan 0.000 0.503 270 Y N -1.409 118.862 120.300 -0.048 0.000 2.524 270 Y HA 0.561 5.110 4.550 -0.000 0.000 0.344 270 Y C -0.034 175.837 175.900 -0.049 0.000 1.012 270 Y CA -0.888 57.180 58.100 -0.053 0.000 1.068 270 Y CB 2.188 40.603 38.460 -0.075 0.000 1.249 270 Y HN 0.379 nan 8.280 nan 0.000 0.468 271 V N 2.342 122.320 119.914 0.108 0.000 2.680 271 V HA 0.488 4.607 4.120 -0.000 0.000 0.309 271 V C -0.865 175.236 176.094 0.013 0.000 1.052 271 V CA -0.963 61.356 62.300 0.031 0.000 0.908 271 V CB 1.943 33.764 31.823 -0.003 0.000 1.001 271 V HN 0.517 nan 8.190 nan 0.000 0.431 272 V N 5.400 125.284 119.914 -0.050 0.000 2.289 272 V HA 0.327 4.447 4.120 -0.000 0.000 0.272 272 V C -2.510 173.487 176.094 -0.162 0.000 1.026 272 V CA -1.734 60.510 62.300 -0.093 0.000 0.807 272 V CB 1.178 32.944 31.823 -0.096 0.000 1.044 272 V HN 0.728 nan 8.190 nan 0.000 0.443 273 P HA 0.235 nan 4.420 nan 0.000 0.271 273 P C 0.395 177.601 177.300 -0.157 0.000 1.218 273 P CA 0.141 63.192 63.100 -0.083 0.000 0.780 273 P CB 0.508 32.180 31.700 -0.047 0.000 0.901 274 T N -1.307 113.212 114.554 -0.059 0.000 3.624 274 T HA 0.275 4.625 4.350 -0.000 0.000 0.244 274 T C 1.130 175.777 174.700 -0.088 0.000 1.063 274 T CA -0.444 61.560 62.100 -0.160 0.000 1.252 274 T CB -0.979 67.769 68.868 -0.199 0.000 1.021 274 T HN 0.067 nan 8.240 nan 0.000 0.590 275 L N 0.515 121.732 121.223 -0.010 0.000 2.021 275 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 275 L C 2.681 179.543 176.870 -0.014 0.000 1.074 275 L CA 1.542 56.446 54.840 0.107 0.000 0.760 275 L CB -1.042 41.049 42.059 0.054 0.000 0.889 275 L HN 0.353 nan 8.230 nan 0.000 0.433 276 V N -1.135 118.706 119.914 -0.123 0.000 2.317 276 V HA -0.368 3.752 4.120 -0.000 0.000 0.251 276 V C 2.541 178.536 176.094 -0.165 0.000 1.065 276 V CA 2.545 64.778 62.300 -0.113 0.000 1.049 276 V CB -1.265 30.481 31.823 -0.129 0.000 0.651 276 V HN 0.514 nan 8.190 nan 0.000 0.450 277 T N -0.876 113.484 114.554 -0.324 0.000 2.833 277 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 277 T C 1.698 176.172 174.700 -0.377 0.000 1.054 277 T CA 1.740 63.623 62.100 -0.363 0.000 1.135 277 T CB -0.310 68.295 68.868 -0.437 0.000 0.869 277 T HN 0.609 nan 8.240 nan 0.000 0.466 278 Y N 1.522 121.723 120.300 -0.166 0.000 2.163 278 Y HA 0.007 4.557 4.550 -0.000 0.000 0.288 278 Y C 2.522 178.166 175.900 -0.426 0.000 1.136 278 Y CA 0.774 58.665 58.100 -0.348 0.000 1.147 278 Y CB -0.789 37.337 38.460 -0.556 0.000 0.987 278 Y HN 0.193 nan 8.280 nan 0.000 0.509 279 D N -0.082 120.199 120.400 -0.198 0.000 2.158 279 D HA -0.192 4.447 4.640 -0.000 0.000 0.197 279 D C 2.148 178.507 176.300 0.100 0.000 0.995 279 D CA 1.596 55.622 54.000 0.043 0.000 0.846 279 D CB -0.325 40.527 40.800 0.087 0.000 0.941 279 D HN 0.392 nan 8.370 nan 0.000 0.456 280 A N -0.133 122.722 122.820 0.057 0.000 1.943 280 A HA 0.069 4.389 4.320 -0.000 0.000 0.213 280 A C 2.319 179.994 177.584 0.153 0.000 1.181 280 A CA 0.166 52.273 52.037 0.117 0.000 0.653 280 A CB -0.503 18.568 19.000 0.120 0.000 0.833 280 A HN 0.156 nan 8.150 nan 0.000 0.451 281 L N -0.374 120.929 121.223 0.134 0.000 2.079 281 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 281 L C 3.046 179.979 176.870 0.104 0.000 1.081 281 L CA 1.206 56.136 54.840 0.150 0.000 0.752 281 L CB -0.483 41.657 42.059 0.136 0.000 0.896 281 L HN 0.452 nan 8.230 nan 0.000 0.433 282 A N -0.941 121.964 122.820 0.141 0.000 1.872 282 A HA -0.155 4.164 4.320 -0.000 0.000 0.214 282 A C 2.504 180.145 177.584 0.095 0.000 1.187 282 A CA 1.888 54.019 52.037 0.158 0.000 0.614 282 A CB -0.561 18.630 19.000 0.318 0.000 0.826 282 A HN 0.337 nan 8.150 nan 0.000 0.442 283 S N -0.503 115.261 115.700 0.107 0.000 2.368 283 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 283 S C 1.687 176.309 174.600 0.037 0.000 1.029 283 S CA 1.613 59.860 58.200 0.079 0.000 0.988 283 S CB -0.147 63.114 63.200 0.103 0.000 0.838 283 S HN 0.885 nan 8.310 nan 0.000 0.462 284 E N -0.960 119.259 120.200 0.030 0.000 2.653 284 E HA 0.192 4.542 4.350 -0.000 0.000 0.218 284 E C 1.806 178.284 176.600 -0.203 0.000 0.911 284 E CA 0.543 56.928 56.400 -0.025 0.000 1.355 284 E CB -0.611 29.187 29.700 0.163 0.000 1.314 284 E HN 0.308 nan 8.360 nan 0.000 0.686 285 G N 2.704 111.343 108.800 -0.269 0.000 2.574 285 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.220 285 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.220 285 G C 1.439 175.959 174.900 -0.634 0.000 1.173 285 G CA 1.448 46.108 45.100 -0.733 0.000 0.772 285 G HN 0.468 nan 8.290 nan 0.000 0.585 286 E N 0.572 120.591 120.200 -0.302 0.000 2.153 286 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 286 E C 2.303 178.757 176.600 -0.243 0.000 0.988 286 E CA 1.387 57.660 56.400 -0.210 0.000 0.811 286 E CB -0.234 29.391 29.700 -0.125 0.000 0.746 286 E HN 0.564 nan 8.360 nan 0.000 0.466 287 K N -0.246 119.959 120.400 -0.325 0.000 2.211 287 K HA -0.149 4.171 4.320 -0.000 0.000 0.203 287 K C 0.180 176.471 176.600 -0.515 0.000 1.050 287 K CA 0.955 56.989 56.287 -0.421 0.000 0.945 287 K CB -0.020 32.163 32.500 -0.528 0.000 0.732 287 K HN 0.195 nan 8.250 nan 0.000 0.451 288 Y N 0.818 120.946 120.300 -0.286 0.000 2.839 288 Y HA 0.308 4.858 4.550 -0.000 0.000 0.361 288 Y C 0.459 176.302 175.900 -0.095 0.000 1.008 288 Y CA -0.294 57.711 58.100 -0.158 0.000 1.534 288 Y CB 0.642 39.071 38.460 -0.050 0.000 1.395 288 Y HN 0.250 nan 8.280 nan 0.000 0.534 289 G N 1.731 110.527 108.800 -0.007 0.000 2.359 289 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.298 289 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.298 289 G C -0.590 174.346 174.900 0.060 0.000 1.030 289 G CA -0.128 44.992 45.100 0.033 0.000 1.149 289 G HN 0.352 nan 8.290 nan 0.000 0.512 290 L N 1.550 122.763 121.223 -0.017 0.000 2.280 290 L HA 0.585 4.925 4.340 -0.000 0.000 0.287 290 L C -1.836 175.047 176.870 0.020 0.000 1.023 290 L CA -2.272 52.593 54.840 0.042 0.000 0.819 290 L CB 0.868 42.919 42.059 -0.013 0.000 1.212 290 L HN -0.021 nan 8.230 nan 0.000 0.420 291 P HA -0.039 nan 4.420 nan 0.000 0.262 291 P C -1.978 175.330 177.300 0.015 0.000 1.151 291 P CA -0.479 62.635 63.100 0.024 0.000 0.757 291 P CB -0.046 31.672 31.700 0.030 0.000 0.754 292 P HA -0.175 nan 4.420 nan 0.000 0.220 292 P C 0.754 178.058 177.300 0.006 0.000 1.148 292 P CA 1.583 64.683 63.100 -0.000 0.000 0.803 292 P CB 0.053 31.750 31.700 -0.005 0.000 0.782 293 E N -0.578 119.629 120.200 0.011 0.000 2.427 293 E HA 0.009 4.358 4.350 -0.000 0.000 0.196 293 E C 1.854 178.470 176.600 0.027 0.000 1.028 293 E CA 0.618 57.026 56.400 0.014 0.000 0.864 293 E CB -0.901 28.805 29.700 0.010 0.000 0.813 293 E HN 0.155 nan 8.360 nan 0.000 0.514 294 S N 0.311 116.033 115.700 0.036 0.000 2.404 294 S HA 0.144 4.614 4.470 -0.000 0.000 0.223 294 S C 1.835 176.466 174.600 0.050 0.000 1.040 294 S CA 0.122 58.357 58.200 0.057 0.000 0.957 294 S CB -0.142 63.103 63.200 0.076 0.000 0.826 294 S HN 0.173 nan 8.310 nan 0.000 0.491 295 I N 2.218 122.809 120.570 0.034 0.000 2.248 295 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 295 I C 2.507 178.635 176.117 0.019 0.000 1.107 295 I CA 1.240 62.554 61.300 0.023 0.000 1.373 295 I CB -0.376 37.624 38.000 0.001 0.000 1.055 295 I HN 0.267 nan 8.210 nan 0.000 0.418 296 A N -0.065 122.764 122.820 0.014 0.000 2.168 296 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 296 A C 2.154 179.740 177.584 0.004 0.000 1.152 296 A CA 1.161 53.202 52.037 0.005 0.000 0.716 296 A CB -0.259 18.742 19.000 0.002 0.000 0.794 296 A HN 0.345 nan 8.150 nan 0.000 0.465 297 K N -0.779 119.630 120.400 0.014 0.000 2.358 297 K HA 0.335 4.655 4.320 -0.000 0.000 0.197 297 K C 1.091 177.686 176.600 -0.009 0.000 1.025 297 K CA -0.069 56.219 56.287 0.000 0.000 1.104 297 K CB 0.110 32.621 32.500 0.017 0.000 0.855 297 K HN 0.494 nan 8.250 nan 0.000 0.531 298 I N 0.755 121.340 120.570 0.025 0.000 2.252 298 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 298 I C 2.144 178.282 176.117 0.034 0.000 1.102 298 I CA 1.026 62.362 61.300 0.059 0.000 1.385 298 I CB -0.185 37.881 38.000 0.110 0.000 1.064 298 I HN 0.051 nan 8.210 nan 0.000 0.414 299 A N 0.116 122.945 122.820 0.014 0.000 2.239 299 A HA -0.142 4.178 4.320 -0.000 0.000 0.209 299 A C 1.575 179.122 177.584 -0.061 0.000 1.171 299 A CA 1.128 53.159 52.037 -0.010 0.000 0.768 299 A CB -0.514 18.471 19.000 -0.025 0.000 0.790 299 A HN 0.308 nan 8.150 nan 0.000 0.478 300 D N -0.726 119.616 120.400 -0.096 0.000 2.269 300 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 300 D C 1.733 177.891 176.300 -0.237 0.000 0.963 300 D CA 1.850 55.760 54.000 -0.151 0.000 0.864 300 D CB 0.280 40.981 40.800 -0.165 0.000 0.936 300 D HN 0.570 nan 8.370 nan 0.000 0.505 301 V N -4.147 115.588 119.914 -0.298 0.000 3.380 301 V HA 0.190 4.310 4.120 -0.000 0.000 0.277 301 V C 1.759 177.614 176.094 -0.397 0.000 1.590 301 V CA -0.087 61.947 62.300 -0.444 0.000 1.019 301 V CB -0.001 31.333 31.823 -0.815 0.000 0.828 301 V HN 0.049 nan 8.190 nan 0.000 0.427 302 H N 2.283 121.139 119.070 -0.356 0.000 2.253 302 H HA -0.026 4.530 4.556 -0.000 0.000 0.296 302 H C 2.203 177.443 175.328 -0.148 0.000 1.067 302 H CA 2.195 58.104 56.048 -0.233 0.000 1.245 302 H CB -0.387 29.331 29.762 -0.073 0.000 1.364 302 H HN 0.502 nan 8.280 nan 0.000 0.494 303 G N -0.785 108.051 108.800 0.060 0.000 2.564 303 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 303 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 303 G C 1.351 176.253 174.900 0.003 0.000 1.124 303 G CA 0.674 45.768 45.100 -0.011 0.000 0.764 303 G HN 0.585 nan 8.290 nan 0.000 0.550 304 A N -0.093 122.716 122.820 -0.019 0.000 2.220 304 A HA 0.486 4.806 4.320 -0.000 0.000 0.211 304 A C 2.408 180.003 177.584 0.019 0.000 1.176 304 A CA 1.195 53.228 52.037 -0.008 0.000 0.834 304 A CB -0.168 18.804 19.000 -0.048 0.000 0.868 304 A HN 0.344 nan 8.150 nan 0.000 0.488 305 G N 0.434 109.230 108.800 -0.006 0.000 2.453 305 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.215 305 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.215 305 G C 1.399 176.328 174.900 0.049 0.000 1.201 305 G CA 1.190 46.290 45.100 -0.000 0.000 0.784 305 G HN 0.339 nan 8.290 nan 0.000 0.545 306 L N 0.453 121.723 121.223 0.078 0.000 2.051 306 L HA -0.142 4.198 4.340 -0.000 0.000 0.214 306 L C 2.498 179.423 176.870 0.091 0.000 1.076 306 L CA 2.454 57.344 54.840 0.083 0.000 0.758 306 L CB -0.882 41.234 42.059 0.095 0.000 0.890 306 L HN 0.488 nan 8.230 nan 0.000 0.433 307 H N -1.262 117.815 119.070 0.013 0.000 2.395 307 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 307 H C 2.405 177.736 175.328 0.006 0.000 1.070 307 H CA 1.368 57.420 56.048 0.008 0.000 1.356 307 H CB -0.057 29.705 29.762 0.000 0.000 1.401 307 H HN 0.498 nan 8.280 nan 0.000 0.524 308 S N 0.396 116.066 115.700 -0.050 0.000 2.420 308 S HA -0.166 4.304 4.470 -0.000 0.000 0.237 308 S C 2.051 176.578 174.600 -0.121 0.000 1.023 308 S CA 1.373 59.514 58.200 -0.099 0.000 0.991 308 S CB -0.532 62.656 63.200 -0.020 0.000 0.792 308 S HN 0.378 nan 8.310 nan 0.000 0.488 309 I N 2.302 122.822 120.570 -0.083 0.000 2.286 309 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 309 I C 2.642 178.706 176.117 -0.089 0.000 1.115 309 I CA 1.301 62.566 61.300 -0.057 0.000 1.392 309 I CB -1.572 36.419 38.000 -0.015 0.000 1.065 309 I HN 0.449 nan 8.210 nan 0.000 0.418 310 E N 0.814 120.922 120.200 -0.153 0.000 2.106 310 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 310 E C 2.385 178.875 176.600 -0.184 0.000 0.984 310 E CA 0.909 57.215 56.400 -0.157 0.000 0.806 310 E CB -0.028 29.569 29.700 -0.172 0.000 0.750 310 E HN 0.432 nan 8.360 nan 0.000 0.458 311 I N 0.584 120.985 120.570 -0.281 0.000 2.286 311 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 311 I C 2.354 178.413 176.117 -0.097 0.000 1.115 311 I CA 1.091 62.279 61.300 -0.186 0.000 1.392 311 I CB -0.164 37.724 38.000 -0.186 0.000 1.065 311 I HN 0.199 nan 8.210 nan 0.000 0.418 312 M N 0.001 119.549 119.600 -0.086 0.000 2.236 312 M HA -0.162 4.318 4.480 -0.000 0.000 0.266 312 M C 2.380 178.655 176.300 -0.041 0.000 1.070 312 M CA 1.414 56.683 55.300 -0.052 0.000 1.137 312 M CB -0.325 32.250 32.600 -0.041 0.000 1.378 312 M HN 0.084 nan 8.290 nan 0.000 0.426 313 K N 0.671 121.046 120.400 -0.041 0.000 2.026 313 K HA -0.167 4.152 4.320 -0.000 0.000 0.208 313 K C 2.125 178.709 176.600 -0.027 0.000 1.048 313 K CA 1.348 57.620 56.287 -0.026 0.000 0.929 313 K CB -0.048 32.441 32.500 -0.018 0.000 0.713 313 K HN 0.140 nan 8.250 nan 0.000 0.439 314 R N -0.065 120.414 120.500 -0.035 0.000 2.112 314 R HA -0.184 4.155 4.340 -0.000 0.000 0.242 314 R C 2.115 178.400 176.300 -0.023 0.000 1.137 314 R CA 1.921 58.005 56.100 -0.027 0.000 0.944 314 R CB -0.408 29.872 30.300 -0.033 0.000 0.857 314 R HN 0.332 nan 8.270 nan 0.000 0.435 315 A N -0.698 122.104 122.820 -0.029 0.000 2.168 315 A HA 0.117 4.437 4.320 -0.000 0.000 0.215 315 A C 1.285 178.852 177.584 -0.028 0.000 1.152 315 A CA 1.029 53.051 52.037 -0.025 0.000 0.716 315 A CB -0.190 18.795 19.000 -0.026 0.000 0.794 315 A HN 0.623 nan 8.150 nan 0.000 0.465 316 G N -1.159 107.623 108.800 -0.030 0.000 2.182 316 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.248 316 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.248 316 G C 0.099 174.972 174.900 -0.046 0.000 1.042 316 G CA 0.103 45.183 45.100 -0.032 0.000 0.775 316 G HN 0.738 nan 8.290 nan 0.000 0.501 317 V N 0.191 120.077 119.914 -0.045 0.000 2.637 317 V HA 0.193 4.313 4.120 -0.000 0.000 0.296 317 V C 1.188 177.247 176.094 -0.058 0.000 1.046 317 V CA 0.176 62.440 62.300 -0.060 0.000 1.066 317 V CB 1.149 32.944 31.823 -0.046 0.000 0.968 317 V HN 0.399 nan 8.190 nan 0.000 0.483 318 K N 5.678 126.013 120.400 -0.109 0.000 2.382 318 K HA 0.274 4.594 4.320 -0.000 0.000 0.286 318 K C -0.285 176.342 176.600 0.046 0.000 1.062 318 K CA 0.537 56.783 56.287 -0.069 0.000 1.000 318 K CB 0.185 32.525 32.500 -0.266 0.000 0.954 318 K HN 0.557 nan 8.250 nan 0.000 0.470 319 M N 2.089 121.732 119.600 0.071 0.000 2.294 319 M HA 0.305 4.785 4.480 -0.000 0.000 0.335 319 M C 0.417 176.779 176.300 0.102 0.000 1.079 319 M CA -0.570 54.776 55.300 0.077 0.000 0.982 319 M CB 1.988 34.613 32.600 0.042 0.000 1.651 319 M HN 0.727 nan 8.290 nan 0.000 0.437 320 G N 1.627 110.479 108.800 0.087 0.000 2.511 320 G HA2 0.578 4.537 3.960 -0.000 0.000 0.316 320 G HA3 0.578 4.537 3.960 -0.000 0.000 0.316 320 G C -1.656 173.302 174.900 0.096 0.000 1.210 320 G CA -0.452 44.697 45.100 0.081 0.000 0.969 320 G HN 0.581 nan 8.290 nan 0.000 0.492 321 F N 0.398 120.327 119.950 -0.034 0.000 2.404 321 F HA 0.633 5.160 4.527 -0.000 0.000 0.345 321 F C 0.501 176.247 175.800 -0.090 0.000 1.110 321 F CA 0.010 57.971 58.000 -0.065 0.000 1.130 321 F CB 1.489 40.464 39.000 -0.042 0.000 1.129 321 F HN 0.603 nan 8.300 nan 0.000 0.500 322 G N 2.399 110.805 108.800 -0.657 0.000 2.733 322 G HA2 0.433 4.393 3.960 -0.000 0.000 0.297 322 G HA3 0.433 4.393 3.960 -0.000 0.000 0.297 322 G C -0.405 174.122 174.900 -0.622 0.000 1.422 322 G CA -0.126 44.696 45.100 -0.464 0.000 0.942 322 G HN 0.736 nan 8.290 nan 0.000 0.510 323 T N -2.279 112.028 114.554 -0.412 0.000 3.098 323 T HA 0.216 4.565 4.350 -0.000 0.000 0.246 323 T C 0.845 175.410 174.700 -0.225 0.000 0.983 323 T CA 1.194 63.080 62.100 -0.357 0.000 1.094 323 T CB 0.059 68.737 68.868 -0.317 0.000 1.035 323 T HN 0.794 nan 8.240 nan 0.000 0.456 324 D N 0.848 121.191 120.400 -0.094 0.000 2.772 324 D HA -0.117 4.523 4.640 -0.000 0.000 0.233 324 D C -0.659 175.651 176.300 0.015 0.000 1.143 324 D CA 0.246 54.300 54.000 0.089 0.000 0.700 324 D CB -1.995 38.829 40.800 0.039 0.000 1.076 324 D HN 0.601 nan 8.370 nan 0.000 0.430 325 L N -0.345 120.838 121.223 -0.067 0.000 2.399 325 L HA 0.570 4.909 4.340 -0.000 0.000 0.266 325 L C 0.802 177.585 176.870 -0.146 0.000 1.114 325 L CA -0.718 54.052 54.840 -0.116 0.000 0.804 325 L CB 0.951 42.931 42.059 -0.133 0.000 1.146 325 L HN 0.000 nan 8.230 nan 0.000 0.451 326 L N 0.485 121.532 121.223 -0.293 0.000 2.333 326 L HA 0.787 5.127 4.340 -0.000 0.000 0.263 326 L C 0.824 177.232 176.870 -0.771 0.000 1.014 326 L CA -0.733 53.833 54.840 -0.456 0.000 0.820 326 L CB 1.446 43.214 42.059 -0.484 0.000 1.352 326 L HN 0.807 nan 8.230 nan 0.000 0.421 327 G N 1.160 109.593 108.800 -0.611 0.000 2.614 327 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.303 327 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.303 327 G C 0.564 175.208 174.900 -0.427 0.000 1.270 327 G CA 0.847 45.605 45.100 -0.570 0.000 0.988 327 G HN 0.785 nan 8.290 nan 0.000 0.551 328 E N 0.741 120.711 120.200 -0.384 0.000 2.268 328 E HA 0.267 4.616 4.350 -0.000 0.000 0.195 328 E C 2.732 179.221 176.600 -0.185 0.000 0.995 328 E CA 1.587 57.798 56.400 -0.315 0.000 0.836 328 E CB -0.377 28.942 29.700 -0.636 0.000 0.763 328 E HN 0.866 nan 8.360 nan 0.000 0.491 329 A N 0.716 123.445 122.820 -0.152 0.000 2.168 329 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 329 A C 1.796 179.330 177.584 -0.082 0.000 1.152 329 A CA 0.625 52.645 52.037 -0.029 0.000 0.716 329 A CB -0.233 18.811 19.000 0.073 0.000 0.794 329 A HN 0.150 nan 8.150 nan 0.000 0.465 330 Q N 0.124 119.838 119.800 -0.144 0.000 2.197 330 Q HA -0.258 4.082 4.340 -0.000 0.000 0.207 330 Q C 2.047 178.007 176.000 -0.067 0.000 0.984 330 Q CA 1.740 57.470 55.803 -0.121 0.000 0.869 330 Q CB -0.376 28.277 28.738 -0.141 0.000 0.906 330 Q HN 0.938 nan 8.270 nan 0.000 0.426 331 R N 0.459 120.932 120.500 -0.044 0.000 2.293 331 R HA -0.063 4.277 4.340 -0.000 0.000 0.219 331 R C 1.474 177.793 176.300 0.032 0.000 1.091 331 R CA 0.842 56.940 56.100 -0.003 0.000 1.004 331 R CB -0.282 30.019 30.300 0.000 0.000 0.865 331 R HN 0.218 nan 8.270 nan 0.000 0.469 332 L N 0.778 122.016 121.223 0.024 0.000 2.628 332 L HA 0.109 4.449 4.340 -0.000 0.000 0.229 332 L C 2.308 179.215 176.870 0.063 0.000 1.137 332 L CA 0.013 54.885 54.840 0.053 0.000 0.909 332 L CB -0.195 41.892 42.059 0.046 0.000 1.137 332 L HN 0.315 nan 8.230 nan 0.000 0.470 333 Q N 0.593 120.418 119.800 0.043 0.000 2.118 333 Q HA -0.266 4.074 4.340 -0.000 0.000 0.211 333 Q C 2.061 178.178 176.000 0.196 0.000 0.998 333 Q CA 2.395 58.215 55.803 0.028 0.000 0.872 333 Q CB 0.076 28.783 28.738 -0.052 0.000 0.925 333 Q HN 0.430 nan 8.270 nan 0.000 0.414 334 S N 0.709 116.614 115.700 0.342 0.000 2.447 334 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 334 S C 1.157 176.031 174.600 0.456 0.000 1.006 334 S CA 1.006 59.536 58.200 0.551 0.000 0.957 334 S CB -0.223 63.254 63.200 0.462 0.000 0.773 334 S HN 0.416 nan 8.310 nan 0.000 0.507 335 D N 1.376 121.931 120.400 0.259 0.000 2.228 335 D HA -0.138 4.501 4.640 -0.000 0.000 0.203 335 D C 1.855 178.262 176.300 0.179 0.000 0.988 335 D CA 0.890 55.010 54.000 0.200 0.000 0.864 335 D CB -0.272 40.602 40.800 0.123 0.000 0.928 335 D HN 0.461 nan 8.370 nan 0.000 0.469 336 E N -0.549 119.712 120.200 0.103 0.000 2.209 336 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 336 E C 1.629 178.296 176.600 0.113 0.000 0.993 336 E CA 0.869 57.250 56.400 -0.031 0.000 0.819 336 E CB -0.341 29.124 29.700 -0.391 0.000 0.745 336 E HN 0.252 nan 8.360 nan 0.000 0.477 337 F N 0.421 120.588 119.950 0.363 0.000 2.134 337 F HA -0.029 4.498 4.527 -0.000 0.000 0.299 337 F C 2.589 178.486 175.800 0.162 0.000 1.097 337 F CA 1.601 59.767 58.000 0.276 0.000 1.264 337 F CB -0.517 38.590 39.000 0.178 0.000 1.001 337 F HN 0.040 nan 8.300 nan 0.000 0.479 338 R N 0.732 121.425 120.500 0.322 0.000 2.075 338 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 338 R C 2.211 178.602 176.300 0.152 0.000 1.126 338 R CA 1.499 57.720 56.100 0.201 0.000 0.963 338 R CB -0.479 29.921 30.300 0.167 0.000 0.858 338 R HN 0.269 nan 8.270 nan 0.000 0.435 339 I N 1.030 121.683 120.570 0.137 0.000 2.142 339 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 339 I C 2.307 178.484 176.117 0.100 0.000 1.078 339 I CA 1.309 62.671 61.300 0.103 0.000 1.343 339 I CB -0.284 37.763 38.000 0.078 0.000 1.046 339 I HN 0.217 nan 8.210 nan 0.000 0.405 340 L N 0.534 121.823 121.223 0.109 0.000 2.127 340 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 340 L C 2.751 179.692 176.870 0.118 0.000 1.089 340 L CA 1.259 56.164 54.840 0.109 0.000 0.757 340 L CB -0.674 41.468 42.059 0.139 0.000 0.899 340 L HN 0.283 nan 8.230 nan 0.000 0.434 341 A N -0.206 122.698 122.820 0.141 0.000 2.070 341 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 341 A C 2.073 179.710 177.584 0.087 0.000 1.159 341 A CA 1.348 53.457 52.037 0.120 0.000 0.656 341 A CB -0.365 18.712 19.000 0.128 0.000 0.800 341 A HN 0.498 nan 8.150 nan 0.000 0.453 342 E N -0.759 119.492 120.200 0.084 0.000 2.204 342 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 342 E C 1.245 177.882 176.600 0.061 0.000 0.990 342 E CA 1.300 57.742 56.400 0.069 0.000 0.821 342 E CB -0.048 29.694 29.700 0.070 0.000 0.750 342 E HN 0.444 nan 8.360 nan 0.000 0.477 343 V N 0.263 120.215 119.914 0.063 0.000 3.612 343 V HA 0.166 4.285 4.120 -0.000 0.000 0.268 343 V C 0.317 176.440 176.094 0.047 0.000 1.365 343 V CA 0.172 62.504 62.300 0.053 0.000 1.044 343 V CB 0.528 32.381 31.823 0.049 0.000 0.820 343 V HN 0.052 nan 8.190 nan 0.000 0.444 344 L N -0.037 121.220 121.223 0.058 0.000 2.323 344 L HA 0.551 4.891 4.340 -0.000 0.000 0.265 344 L C 0.245 177.150 176.870 0.058 0.000 1.012 344 L CA -0.516 54.358 54.840 0.056 0.000 0.820 344 L CB 2.220 44.319 42.059 0.066 0.000 1.334 344 L HN 0.121 nan 8.230 nan 0.000 0.427 345 S N 1.680 117.409 115.700 0.047 0.000 2.510 345 S HA 0.192 4.662 4.470 -0.000 0.000 0.279 345 S C -1.762 172.867 174.600 0.048 0.000 1.284 345 S CA -0.913 57.312 58.200 0.041 0.000 1.059 345 S CB 1.035 64.254 63.200 0.031 0.000 0.901 345 S HN 0.379 nan 8.310 nan 0.000 0.491 346 P HA -0.245 nan 4.420 nan 0.000 0.219 346 P C 1.517 178.836 177.300 0.031 0.000 1.158 346 P CA 2.426 65.550 63.100 0.039 0.000 0.895 346 P CB -0.168 31.540 31.700 0.013 0.000 0.792 347 A N -0.563 122.268 122.820 0.019 0.000 1.978 347 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 347 A C 2.125 179.724 177.584 0.025 0.000 1.170 347 A CA 1.856 53.900 52.037 0.011 0.000 0.636 347 A CB -1.091 17.915 19.000 0.010 0.000 0.810 347 A HN 0.261 nan 8.150 nan 0.000 0.448 348 E N -0.340 119.885 120.200 0.041 0.000 2.107 348 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 348 E C 2.138 178.789 176.600 0.084 0.000 0.982 348 E CA 1.315 57.746 56.400 0.052 0.000 0.809 348 E CB -0.350 29.379 29.700 0.049 0.000 0.756 348 E HN 0.645 nan 8.360 nan 0.000 0.459 349 V N -0.324 119.659 119.914 0.115 0.000 2.358 349 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 349 V C 2.086 178.292 176.094 0.187 0.000 1.047 349 V CA 1.328 63.744 62.300 0.193 0.000 1.035 349 V CB -0.440 31.549 31.823 0.276 0.000 0.658 349 V HN 0.058 nan 8.190 nan 0.000 0.452 350 I N 1.559 122.193 120.570 0.105 0.000 2.493 350 I HA -0.025 4.144 4.170 -0.000 0.000 0.254 350 I C 2.751 178.881 176.117 0.022 0.000 1.160 350 I CA 1.623 62.946 61.300 0.039 0.000 1.445 350 I CB -0.787 37.187 38.000 -0.042 0.000 1.086 350 I HN 0.355 nan 8.210 nan 0.000 0.433 351 A N -0.798 122.040 122.820 0.031 0.000 1.929 351 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 351 A C 2.488 180.098 177.584 0.043 0.000 1.176 351 A CA 1.787 53.834 52.037 0.018 0.000 0.628 351 A CB -0.756 18.253 19.000 0.015 0.000 0.816 351 A HN 0.351 nan 8.150 nan 0.000 0.444 352 S N -0.198 115.552 115.700 0.084 0.000 2.370 352 S HA -0.053 4.417 4.470 -0.000 0.000 0.226 352 S C 1.961 176.638 174.600 0.127 0.000 1.033 352 S CA 1.243 59.516 58.200 0.122 0.000 1.011 352 S CB -0.289 63.023 63.200 0.186 0.000 0.852 352 S HN 0.779 nan 8.310 nan 0.000 0.457 353 A N 0.603 123.474 122.820 0.085 0.000 2.278 353 A HA 0.250 4.570 4.320 -0.000 0.000 0.212 353 A C 1.637 179.217 177.584 -0.006 0.000 1.213 353 A CA 0.980 53.018 52.037 0.003 0.000 0.840 353 A CB -0.327 18.524 19.000 -0.249 0.000 0.866 353 A HN 0.601 nan 8.150 nan 0.000 0.489 354 T N -2.409 112.144 114.554 -0.002 0.000 3.212 354 T HA 0.154 4.504 4.350 -0.000 0.000 0.157 354 T C 1.754 176.440 174.700 -0.022 0.000 0.908 354 T CA 0.590 62.675 62.100 -0.025 0.000 0.954 354 T CB -0.939 67.900 68.868 -0.048 0.000 1.709 354 T HN 0.336 nan 8.240 nan 0.000 0.335 355 I N 1.630 122.186 120.570 -0.024 0.000 2.252 355 I HA -0.004 4.166 4.170 -0.000 0.000 0.245 355 I C 2.375 178.486 176.117 -0.009 0.000 1.102 355 I CA 1.033 62.319 61.300 -0.023 0.000 1.385 355 I CB -1.019 36.961 38.000 -0.033 0.000 1.064 355 I HN 0.147 nan 8.210 nan 0.000 0.414 356 V N 1.198 121.119 119.914 0.012 0.000 2.270 356 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 356 V C 2.791 178.873 176.094 -0.020 0.000 1.043 356 V CA 2.242 64.566 62.300 0.040 0.000 1.014 356 V CB -0.926 30.945 31.823 0.081 0.000 0.645 356 V HN 0.440 nan 8.190 nan 0.000 0.447 357 S N 0.352 116.039 115.700 -0.023 0.000 2.387 357 S HA -0.243 4.226 4.470 -0.000 0.000 0.230 357 S C 2.167 176.682 174.600 -0.143 0.000 1.035 357 S CA 1.642 59.797 58.200 -0.075 0.000 1.014 357 S CB -0.533 62.660 63.200 -0.011 0.000 0.836 357 S HN 0.673 nan 8.310 nan 0.000 0.466 358 A N 0.757 123.516 122.820 -0.101 0.000 1.969 358 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 358 A C 1.990 179.491 177.584 -0.138 0.000 1.169 358 A CA 1.382 53.351 52.037 -0.112 0.000 0.635 358 A CB -0.422 18.548 19.000 -0.051 0.000 0.810 358 A HN 0.562 nan 8.150 nan 0.000 0.445 359 E N -0.239 119.886 120.200 -0.125 0.000 2.047 359 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 359 E C 1.910 178.328 176.600 -0.302 0.000 0.987 359 E CA 1.331 57.657 56.400 -0.123 0.000 0.799 359 E CB -0.117 29.579 29.700 -0.007 0.000 0.752 359 E HN 0.320 nan 8.360 nan 0.000 0.449 360 V N 1.386 120.999 119.914 -0.502 0.000 2.324 360 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 360 V C 2.235 178.016 176.094 -0.521 0.000 1.060 360 V CA 1.545 63.398 62.300 -0.745 0.000 1.042 360 V CB -0.432 30.999 31.823 -0.654 0.000 0.650 360 V HN 0.348 nan 8.190 nan 0.000 0.450 361 L N 0.343 121.336 121.223 -0.384 0.000 2.610 361 L HA 0.237 4.577 4.340 -0.000 0.000 0.232 361 L C 1.625 178.373 176.870 -0.204 0.000 1.149 361 L CA 0.727 55.336 54.840 -0.384 0.000 0.872 361 L CB -0.814 40.838 42.059 -0.679 0.000 0.992 361 L HN 0.556 nan 8.230 nan 0.000 0.447 362 G N 0.624 109.320 108.800 -0.172 0.000 2.295 362 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.287 362 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.287 362 G C 0.386 175.281 174.900 -0.009 0.000 1.055 362 G CA 0.144 45.206 45.100 -0.063 0.000 0.922 362 G HN 0.242 nan 8.290 nan 0.000 0.503 363 M N 0.638 120.217 119.600 -0.035 0.000 2.911 363 M HA 0.134 4.614 4.480 -0.000 0.000 0.381 363 M C 0.776 177.093 176.300 0.028 0.000 1.287 363 M CA -0.186 55.134 55.300 0.033 0.000 0.858 363 M CB 0.486 33.111 32.600 0.043 0.000 1.385 363 M HN 0.560 nan 8.290 nan 0.000 0.504 364 Q N 0.511 120.317 119.800 0.009 0.000 2.300 364 Q HA 0.051 4.391 4.340 -0.000 0.000 0.280 364 Q C -0.231 175.784 176.000 0.025 0.000 1.033 364 Q CA 0.619 56.427 55.803 0.008 0.000 0.903 364 Q CB 0.791 29.531 28.738 0.003 0.000 1.195 364 Q HN 0.344 nan 8.270 nan 0.000 0.386 365 D N 1.404 121.817 120.400 0.021 0.000 2.792 365 D HA -0.169 4.471 4.640 -0.000 0.000 0.192 365 D C 0.338 176.671 176.300 0.054 0.000 1.007 365 D CA 1.928 55.943 54.000 0.025 0.000 1.020 365 D CB -0.528 40.282 40.800 0.016 0.000 1.089 365 D HN 0.742 nan 8.370 nan 0.000 0.438 366 K N -0.402 120.052 120.400 0.091 0.000 2.370 366 K HA 0.318 4.638 4.320 -0.000 0.000 0.194 366 K C 0.921 177.668 176.600 0.244 0.000 1.070 366 K CA 0.403 56.796 56.287 0.177 0.000 0.998 366 K CB 1.450 34.090 32.500 0.232 0.000 0.911 366 K HN 0.104 nan 8.250 nan 0.000 0.533 367 L N -1.400 119.907 121.223 0.140 0.000 2.479 367 L HA 0.382 4.722 4.340 -0.000 0.000 0.255 367 L C 0.574 177.463 176.870 0.032 0.000 1.026 367 L CA -0.544 54.356 54.840 0.100 0.000 0.842 367 L CB 2.143 44.251 42.059 0.080 0.000 1.444 367 L HN 0.320 nan 8.230 nan 0.000 0.409 368 G N 0.771 109.575 108.800 0.007 0.000 2.267 368 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 368 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 368 G C 0.271 175.147 174.900 -0.040 0.000 0.998 368 G CA 0.094 45.180 45.100 -0.023 0.000 0.620 368 G HN 0.507 nan 8.290 nan 0.000 0.529 369 R N -0.449 120.035 120.500 -0.027 0.000 2.628 369 R HA 0.560 4.900 4.340 -0.000 0.000 0.288 369 R C -0.347 175.933 176.300 -0.035 0.000 0.980 369 R CA -0.976 55.095 56.100 -0.049 0.000 0.891 369 R CB 1.387 31.655 30.300 -0.053 0.000 1.188 369 R HN 0.185 nan 8.270 nan 0.000 0.450 370 I N 4.777 125.309 120.570 -0.064 0.000 2.406 370 I HA 0.120 4.290 4.170 -0.000 0.000 0.293 370 I C -0.046 176.047 176.117 -0.040 0.000 1.101 370 I CA 0.014 61.282 61.300 -0.054 0.000 1.334 370 I CB 0.436 38.377 38.000 -0.098 0.000 1.421 370 I HN 0.281 nan 8.210 nan 0.000 0.513 371 V N 4.218 124.133 119.914 0.001 0.000 3.077 371 V HA 0.490 4.610 4.120 -0.000 0.000 0.299 371 V C -2.928 173.188 176.094 0.038 0.000 1.276 371 V CA -2.482 59.825 62.300 0.011 0.000 0.993 371 V CB 1.668 33.490 31.823 -0.001 0.000 1.076 371 V HN 0.296 nan 8.190 nan 0.000 0.434 372 P HA 0.319 nan 4.420 nan 0.000 0.258 372 P C 1.045 178.355 177.300 0.016 0.000 1.172 372 P CA 2.279 65.403 63.100 0.040 0.000 0.762 372 P CB 0.394 32.114 31.700 0.034 0.000 0.764 373 G N 2.110 110.917 108.800 0.012 0.000 2.232 373 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.226 373 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.226 373 G C 0.455 175.348 174.900 -0.013 0.000 0.996 373 G CA -0.024 45.036 45.100 -0.066 0.000 0.626 373 G HN 0.825 nan 8.290 nan 0.000 0.509 374 A N -0.123 122.748 122.820 0.085 0.000 2.296 374 A HA 0.682 5.002 4.320 -0.000 0.000 0.264 374 A C 0.228 177.972 177.584 0.266 0.000 1.097 374 A CA -0.074 52.046 52.037 0.139 0.000 0.811 374 A CB 0.175 19.240 19.000 0.109 0.000 1.072 374 A HN 0.598 nan 8.150 nan 0.000 0.495 375 H N -0.165 119.060 119.070 0.258 0.000 2.764 375 H HA 0.355 4.911 4.556 -0.000 0.000 0.341 375 H C 0.782 176.121 175.328 0.019 0.000 1.072 375 H CA 0.922 57.026 56.048 0.093 0.000 1.444 375 H CB 0.847 30.632 29.762 0.038 0.000 1.458 375 H HN 0.731 nan 8.280 nan 0.000 0.572 376 A N 3.836 126.682 122.820 0.044 0.000 3.030 376 A HA 0.066 4.386 4.320 -0.000 0.000 0.273 376 A C -0.524 177.076 177.584 0.027 0.000 1.841 376 A CA -0.320 51.743 52.037 0.043 0.000 1.479 376 A CB -0.701 18.321 19.000 0.038 0.000 1.048 376 A HN 0.611 nan 8.150 nan 0.000 0.612 377 D N 0.960 121.379 120.400 0.031 0.000 2.460 377 D HA 0.492 5.131 4.640 -0.000 0.000 0.232 377 D C -0.699 175.572 176.300 -0.049 0.000 1.079 377 D CA 0.102 54.106 54.000 0.006 0.000 0.864 377 D CB 1.552 42.364 40.800 0.020 0.000 1.048 377 D HN 0.110 nan 8.370 nan 0.000 0.523 378 V N 2.754 122.619 119.914 -0.082 0.000 2.789 378 V HA 0.498 4.617 4.120 -0.000 0.000 0.311 378 V C -0.180 175.821 176.094 -0.156 0.000 1.073 378 V CA -0.823 61.372 62.300 -0.176 0.000 0.921 378 V CB 2.259 33.879 31.823 -0.338 0.000 1.009 378 V HN 0.325 nan 8.190 nan 0.000 0.426 379 L N 3.409 124.524 121.223 -0.180 0.000 2.322 379 L HA 0.784 5.123 4.340 -0.000 0.000 0.269 379 L C -0.886 175.892 176.870 -0.153 0.000 1.012 379 L CA -1.079 53.677 54.840 -0.140 0.000 0.815 379 L CB 2.134 44.105 42.059 -0.147 0.000 1.295 379 L HN 0.309 nan 8.230 nan 0.000 0.438 380 V N 2.109 121.973 119.914 -0.082 0.000 2.448 380 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 380 V C -0.230 175.839 176.094 -0.041 0.000 1.025 380 V CA -0.592 61.675 62.300 -0.054 0.000 0.859 380 V CB 2.153 33.990 31.823 0.022 0.000 0.988 380 V HN 0.444 nan 8.190 nan 0.000 0.431 381 V N 2.678 122.561 119.914 -0.051 0.000 2.495 381 V HA 0.406 4.525 4.120 -0.000 0.000 0.298 381 V C -0.238 175.843 176.094 -0.022 0.000 1.031 381 V CA -0.638 61.636 62.300 -0.044 0.000 0.871 381 V CB 2.008 33.778 31.823 -0.089 0.000 0.988 381 V HN 0.835 nan 8.190 nan 0.000 0.432 382 D N 3.425 123.831 120.400 0.011 0.000 2.608 382 D HA 0.533 5.173 4.640 -0.000 0.000 0.224 382 D C 0.362 176.629 176.300 -0.055 0.000 1.123 382 D CA 1.136 55.139 54.000 0.005 0.000 1.030 382 D CB 0.005 40.844 40.800 0.065 0.000 1.093 382 D HN 0.988 nan 8.370 nan 0.000 0.497 383 G N 1.456 110.219 108.800 -0.062 0.000 2.339 383 G HA2 0.091 4.050 3.960 -0.000 0.000 0.302 383 G HA3 0.091 4.050 3.960 -0.000 0.000 0.302 383 G C -1.389 173.467 174.900 -0.074 0.000 1.425 383 G CA -1.144 43.904 45.100 -0.086 0.000 0.899 383 G HN 0.226 nan 8.290 nan 0.000 0.619 384 N N 0.794 119.452 118.700 -0.071 0.000 2.621 384 N HA 0.558 5.298 4.740 -0.000 0.000 0.237 384 N C -1.432 174.033 175.510 -0.075 0.000 0.997 384 N CA -2.404 50.608 53.050 -0.064 0.000 0.918 384 N CB 2.127 40.587 38.487 -0.044 0.000 1.122 384 N HN 0.060 nan 8.380 nan 0.000 0.510 385 P HA -0.088 nan 4.420 nan 0.000 0.225 385 P C 1.061 178.309 177.300 -0.087 0.000 1.148 385 P CA 0.454 63.480 63.100 -0.123 0.000 0.779 385 P CB 0.390 31.988 31.700 -0.171 0.000 0.780 386 L N -0.963 120.222 121.223 -0.064 0.000 2.313 386 L HA -0.011 4.329 4.340 -0.000 0.000 0.214 386 L C 2.018 178.873 176.870 -0.025 0.000 1.119 386 L CA 1.716 56.533 54.840 -0.038 0.000 0.809 386 L CB -0.928 41.113 42.059 -0.029 0.000 0.933 386 L HN -0.081 nan 8.230 nan 0.000 0.449 387 K N -1.692 118.690 120.400 -0.030 0.000 2.141 387 K HA 0.184 4.504 4.320 -0.000 0.000 0.202 387 K C 0.570 177.158 176.600 -0.020 0.000 1.045 387 K CA 0.306 56.580 56.287 -0.021 0.000 0.971 387 K CB 0.437 32.923 32.500 -0.023 0.000 0.795 387 K HN 0.113 nan 8.250 nan 0.000 0.459 388 S N -0.063 115.616 115.700 -0.035 0.000 2.547 388 S HA 0.254 4.724 4.470 -0.000 0.000 0.281 388 S C 0.431 175.000 174.600 -0.052 0.000 1.118 388 S CA -0.563 57.618 58.200 -0.031 0.000 0.947 388 S CB 2.081 65.262 63.200 -0.032 0.000 1.053 388 S HN -0.096 nan 8.310 nan 0.000 0.482 389 V N 3.455 123.351 119.914 -0.030 0.000 2.871 389 V HA -0.031 4.088 4.120 -0.000 0.000 0.256 389 V C 1.312 177.373 176.094 -0.055 0.000 1.082 389 V CA 1.541 63.807 62.300 -0.056 0.000 1.105 389 V CB -0.390 31.456 31.823 0.039 0.000 0.713 389 V HN 0.825 nan 8.190 nan 0.000 0.473 390 D N 0.048 120.438 120.400 -0.017 0.000 2.271 390 D HA -0.178 4.462 4.640 -0.000 0.000 0.207 390 D C 2.060 178.356 176.300 -0.006 0.000 0.983 390 D CA 1.717 55.720 54.000 0.005 0.000 0.878 390 D CB -0.388 40.413 40.800 0.001 0.000 0.920 390 D HN 0.739 nan 8.370 nan 0.000 0.479 391 C N -1.063 118.199 119.300 -0.063 0.000 2.514 391 C HA 0.206 4.666 4.460 -0.000 0.000 0.271 391 C C 2.450 177.437 174.990 -0.004 0.000 1.399 391 C CA -0.424 58.562 59.018 -0.054 0.000 1.765 391 C CB -1.316 26.353 27.740 -0.117 0.000 1.893 391 C HN 0.197 nan 8.230 nan 0.000 0.531 392 L N 0.023 121.180 121.223 -0.111 0.000 2.375 392 L HA 0.146 4.485 4.340 -0.000 0.000 0.215 392 L C 1.239 178.094 176.870 -0.025 0.000 1.108 392 L CA 0.006 54.735 54.840 -0.186 0.000 0.830 392 L CB -0.602 41.120 42.059 -0.562 0.000 0.959 392 L HN 0.208 nan 8.230 nan 0.000 0.457 393 L N 0.007 121.265 121.223 0.058 0.000 2.435 393 L HA 0.207 4.547 4.340 -0.000 0.000 0.258 393 L C 1.402 178.343 176.870 0.118 0.000 1.257 393 L CA 1.532 56.455 54.840 0.138 0.000 0.823 393 L CB -0.875 41.267 42.059 0.139 0.000 1.111 393 L HN 0.324 nan 8.230 nan 0.000 0.543 394 G N 0.378 109.250 108.800 0.121 0.000 2.514 394 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.265 394 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.265 394 G C 0.189 175.136 174.900 0.077 0.000 1.150 394 G CA 0.459 45.607 45.100 0.081 0.000 0.959 394 G HN 0.554 nan 8.290 nan 0.000 0.556 395 Q N 0.911 120.731 119.800 0.034 0.000 2.089 395 Q HA 0.494 4.834 4.340 -0.000 0.000 0.248 395 Q C 1.014 177.020 176.000 0.010 0.000 0.828 395 Q CA 1.527 57.351 55.803 0.034 0.000 1.102 395 Q CB 0.242 28.991 28.738 0.019 0.000 1.221 395 Q HN 2.407 nan 8.270 nan 0.000 0.455 396 G N 0.285 109.082 108.800 -0.004 0.000 2.131 396 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.223 396 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.223 396 G C 0.612 175.466 174.900 -0.077 0.000 0.990 396 G CA 0.470 45.553 45.100 -0.028 0.000 0.671 396 G HN 0.391 nan 8.290 nan 0.000 0.521 397 E N -0.000 120.103 120.200 -0.160 0.000 2.204 397 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 397 E C 1.557 177.924 176.600 -0.389 0.000 0.990 397 E CA 1.279 57.495 56.400 -0.306 0.000 0.821 397 E CB -0.071 29.360 29.700 -0.448 0.000 0.750 397 E HN 0.712 nan 8.360 nan 0.000 0.477 398 H N -0.891 118.171 119.070 -0.014 0.000 2.488 398 H HA 0.314 4.870 4.556 -0.000 0.000 0.294 398 H C -0.178 175.125 175.328 -0.042 0.000 1.088 398 H CA 0.034 56.067 56.048 -0.026 0.000 1.086 398 H CB 0.111 29.854 29.762 -0.032 0.000 1.569 398 H HN 0.088 nan 8.280 nan 0.000 0.548 399 I N 2.748 123.330 120.570 0.020 0.000 2.905 399 I HA 0.137 4.306 4.170 -0.000 0.000 0.297 399 I C -1.681 174.435 176.117 -0.001 0.000 1.358 399 I CA -1.467 59.827 61.300 -0.009 0.000 0.975 399 I CB 1.735 39.708 38.000 -0.046 0.000 1.857 399 I HN -0.155 nan 8.210 nan 0.000 0.612 400 P HA -0.116 nan 4.420 nan 0.000 0.223 400 P C 0.282 177.601 177.300 0.033 0.000 1.144 400 P CA 1.181 64.297 63.100 0.026 0.000 0.783 400 P CB 0.782 32.505 31.700 0.038 0.000 0.771 401 L N -1.099 120.142 121.223 0.029 0.000 2.493 401 L HA 0.467 4.807 4.340 -0.000 0.000 0.265 401 L C -1.514 175.372 176.870 0.027 0.000 0.954 401 L CA -0.876 53.990 54.840 0.045 0.000 0.844 401 L CB 2.670 44.779 42.059 0.083 0.000 1.302 401 L HN -0.471 nan 8.230 nan 0.000 0.405 402 V N 5.835 125.777 119.914 0.047 0.000 2.447 402 V HA 0.438 4.557 4.120 -0.000 0.000 0.292 402 V C -0.239 175.912 176.094 0.095 0.000 1.021 402 V CA -0.266 62.065 62.300 0.051 0.000 0.850 402 V CB 1.648 33.509 31.823 0.063 0.000 1.005 402 V HN 0.833 nan 8.190 nan 0.000 0.426 403 M N 5.448 125.078 119.600 0.050 0.000 2.205 403 M HA 0.570 5.050 4.480 -0.000 0.000 0.344 403 M C -0.744 175.614 176.300 0.097 0.000 1.085 403 M CA -0.367 54.957 55.300 0.040 0.000 1.001 403 M CB 1.116 33.700 32.600 -0.026 0.000 1.626 403 M HN 0.594 nan 8.290 nan 0.000 0.442 404 K N 4.061 124.589 120.400 0.214 0.000 2.471 404 K HA 0.218 4.538 4.320 -0.000 0.000 0.252 404 K C -0.932 175.768 176.600 0.167 0.000 0.938 404 K CA -0.282 56.127 56.287 0.203 0.000 0.796 404 K CB 1.092 33.738 32.500 0.244 0.000 1.161 404 K HN 0.845 nan 8.250 nan 0.000 0.425 405 D N 2.784 123.218 120.400 0.057 0.000 3.012 405 D HA -0.178 4.461 4.640 -0.000 0.000 0.222 405 D C 0.597 176.870 176.300 -0.045 0.000 1.167 405 D CA 1.979 55.974 54.000 -0.009 0.000 0.854 405 D CB -0.976 39.840 40.800 0.026 0.000 1.107 405 D HN 1.097 nan 8.370 nan 0.000 0.421 406 G N -0.614 108.164 108.800 -0.036 0.000 2.175 406 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 406 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 406 G C 0.254 175.110 174.900 -0.073 0.000 0.982 406 G CA 0.392 45.481 45.100 -0.019 0.000 0.641 406 G HN 0.508 nan 8.290 nan 0.000 0.527 407 R N -0.310 120.103 120.500 -0.145 0.000 2.664 407 R HA 0.700 5.040 4.340 -0.000 0.000 0.286 407 R C -0.144 175.900 176.300 -0.426 0.000 0.967 407 R CA -0.918 55.012 56.100 -0.283 0.000 0.933 407 R CB 1.527 31.592 30.300 -0.392 0.000 1.146 407 R HN 0.155 nan 8.270 nan 0.000 0.468 408 L N 2.877 123.859 121.223 -0.402 0.000 2.281 408 L HA 0.229 4.569 4.340 -0.000 0.000 0.285 408 L C 0.287 176.939 176.870 -0.364 0.000 1.074 408 L CA -0.068 54.596 54.840 -0.293 0.000 0.817 408 L CB 0.444 42.400 42.059 -0.172 0.000 1.168 408 L HN 0.652 nan 8.230 nan 0.000 0.434 409 F N 2.159 122.093 119.950 -0.027 0.000 2.437 409 F HA 0.146 4.673 4.527 -0.000 0.000 0.288 409 F C 0.647 176.444 175.800 -0.005 0.000 1.085 409 F CA 0.128 58.121 58.000 -0.012 0.000 1.430 409 F CB 0.490 39.482 39.000 -0.012 0.000 1.120 409 F HN 0.093 nan 8.300 nan 0.000 0.556 410 V N 0.590 120.597 119.914 0.154 0.000 2.588 410 V HA 0.417 4.537 4.120 -0.000 0.000 0.304 410 V C -1.070 175.058 176.094 0.057 0.000 1.042 410 V CA -0.767 61.586 62.300 0.088 0.000 0.877 410 V CB 1.777 33.645 31.823 0.075 0.000 0.996 410 V HN 0.145 nan 8.190 nan 0.000 0.425 411 N N 2.949 121.677 118.700 0.047 0.000 2.732 411 N HA 0.205 4.945 4.740 -0.000 0.000 0.247 411 N C 0.128 175.665 175.510 0.046 0.000 1.305 411 N CA -0.379 52.700 53.050 0.049 0.000 0.762 411 N CB 1.391 39.908 38.487 0.050 0.000 1.361 411 N HN 0.853 nan 8.380 nan 0.000 0.545 412 E N 2.827 123.052 120.200 0.042 0.000 2.437 412 E HA 0.157 4.507 4.350 -0.000 0.000 0.195 412 E C 0.792 177.415 176.600 0.039 0.000 1.029 412 E CA -0.263 56.159 56.400 0.035 0.000 0.948 412 E CB 0.434 30.149 29.700 0.026 0.000 1.082 412 E HN 0.437 nan 8.360 nan 0.000 0.456 413 L N 0.663 121.915 121.223 0.048 0.000 2.044 413 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 413 L C 1.113 178.010 176.870 0.044 0.000 1.075 413 L CA 1.277 56.147 54.840 0.049 0.000 0.747 413 L CB -0.288 41.808 42.059 0.061 0.000 0.903 413 L HN 0.205 nan 8.230 nan 0.000 0.435 414 E N 0.000 120.230 120.200 0.050 0.000 2.725 414 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 414 E CA 0.000 56.429 56.400 0.048 0.000 0.976 414 E CB 0.000 29.742 29.700 0.071 0.000 0.812 414 E HN 0.000 nan 8.360 nan 0.000 0.440