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 3k1a_1_A DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NXXXXXXXXX CIISNKKSQP DATA SEQUENCE GLMTIRGCAY AGSKGIVWGP IKDMIHISHG PVGCGQYSRA GRRNYYIGTT DATA SEQUENCE GVNAFVTMNF TSDFQEKDIV FGGDKKLAKL IDEVETLFPL NKGISVQSEC DATA SEQUENCE PIGLIGDDIE SVSKVKGAEL SKTIVPVRCE GFRGVSQSLG HHIANDAVRD DATA SEQUENCE WVLGKRDEDT TFASTPYDVA IIGDYNIGGD AWSSRILLEE MGLRCVAQWS DATA SEQUENCE GDGSISEIEL TPKVKLNLVH CYRSMNYISR HMEEKYGIPW MEYNFFGPTK DATA SEQUENCE TIESLRAIAA KFDESIQKKC EEVIAKYKPE WEAVVAKYRP RLEGKRVMLY DATA SEQUENCE IGGLRPRHVI GAYEDLGMEV VGTGYEFAHN DDYDRTMKEM GDSTLLYDDV DATA SEQUENCE TGYEFEEFVK RIKPDLIGSG IKEKFIFQKM GIPFREMHSW DYSGPYHGFD DATA SEQUENCE GFAIFARDMD MTLNNPCWKK LQAPWE 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.592 174.600 -0.013 0.000 1.055 5 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 5 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 6 R N 0.794 121.284 120.500 -0.016 0.000 3.309 6 R HA -0.366 3.974 4.340 0.001 0.000 0.649 6 R C 1.027 177.318 176.300 -0.015 0.000 0.241 6 R CA 2.435 58.525 56.100 -0.017 0.000 1.994 6 R CB -1.041 29.251 30.300 -0.013 0.000 0.780 6 R HN 0.935 nan 8.270 nan 0.000 0.651 7 E N -1.465 118.729 120.200 -0.010 0.000 4.746 7 E HA -0.400 3.951 4.350 0.001 0.000 0.185 7 E C 1.399 177.998 176.600 -0.002 0.000 1.356 7 E CA 2.500 58.898 56.400 -0.004 0.000 2.233 7 E CB -1.094 28.603 29.700 -0.004 0.000 1.906 7 E HN 0.667 nan 8.360 nan 0.000 0.323 8 E N -0.228 119.969 120.200 -0.004 0.000 2.110 8 E HA -0.158 4.193 4.350 0.001 0.000 0.193 8 E C 2.063 178.660 176.600 -0.004 0.000 0.988 8 E CA 1.598 57.997 56.400 -0.002 0.000 0.804 8 E CB 0.056 29.753 29.700 -0.004 0.000 0.745 8 E HN 0.264 nan 8.360 nan 0.000 0.458 9 V N 1.465 121.368 119.914 -0.018 0.000 2.343 9 V HA -0.258 3.863 4.120 0.001 0.000 0.247 9 V C 1.969 178.047 176.094 -0.026 0.000 1.051 9 V CA 1.896 64.173 62.300 -0.039 0.000 1.036 9 V CB -0.437 31.352 31.823 -0.057 0.000 0.654 9 V HN 0.245 nan 8.190 nan 0.000 0.451 10 E N 0.088 120.283 120.200 -0.009 0.000 2.150 10 E HA -0.136 4.215 4.350 0.001 0.000 0.193 10 E C 2.386 179.002 176.600 0.027 0.000 0.985 10 E CA 1.351 57.756 56.400 0.009 0.000 0.814 10 E CB -0.155 29.550 29.700 0.008 0.000 0.752 10 E HN 0.541 nan 8.360 nan 0.000 0.466 11 S N 1.169 116.883 115.700 0.023 0.000 2.368 11 S HA -0.129 4.341 4.470 0.001 0.000 0.224 11 S C 1.912 176.540 174.600 0.048 0.000 1.029 11 S CA 0.592 58.811 58.200 0.031 0.000 0.988 11 S CB -0.162 63.052 63.200 0.022 0.000 0.838 11 S HN 0.148 nan 8.310 nan 0.000 0.462 12 L N 2.101 123.352 121.223 0.048 0.000 2.017 12 L HA -0.005 4.336 4.340 0.001 0.000 0.208 12 L C 1.912 178.875 176.870 0.154 0.000 1.073 12 L CA 1.581 56.472 54.840 0.085 0.000 0.745 12 L CB -0.635 41.463 42.059 0.066 0.000 0.894 12 L HN 0.269 nan 8.230 nan 0.000 0.432 13 I N -0.389 120.262 120.570 0.133 0.000 2.127 13 I HA -0.352 3.819 4.170 0.001 0.000 0.241 13 I C 2.607 178.832 176.117 0.180 0.000 1.075 13 I CA 1.703 63.128 61.300 0.208 0.000 1.334 13 I CB -0.391 37.683 38.000 0.123 0.000 1.040 13 I HN 0.493 nan 8.210 nan 0.000 0.405 14 Q N 1.058 120.927 119.800 0.116 0.000 2.167 14 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 14 Q C 1.731 177.780 176.000 0.081 0.000 0.970 14 Q CA 1.634 57.494 55.803 0.095 0.000 0.855 14 Q CB -0.589 28.190 28.738 0.068 0.000 0.911 14 Q HN 0.467 nan 8.270 nan 0.000 0.438 15 E N 0.255 120.501 120.200 0.076 0.000 2.077 15 E HA -0.125 4.226 4.350 0.001 0.000 0.193 15 E C 2.012 178.644 176.600 0.054 0.000 0.989 15 E CA 1.438 57.872 56.400 0.056 0.000 0.800 15 E CB 0.006 29.736 29.700 0.051 0.000 0.746 15 E HN 0.255 nan 8.360 nan 0.000 0.452 16 V N 1.334 121.294 119.914 0.075 0.000 2.358 16 V HA -0.228 3.893 4.120 0.001 0.000 0.246 16 V C 2.242 178.345 176.094 0.014 0.000 1.047 16 V CA 1.338 63.664 62.300 0.043 0.000 1.035 16 V CB -0.365 31.450 31.823 -0.012 0.000 0.658 16 V HN 0.271 nan 8.190 nan 0.000 0.452 17 L N -0.293 120.959 121.223 0.049 0.000 2.265 17 L HA -0.152 4.189 4.340 0.001 0.000 0.215 17 L C 2.390 179.236 176.870 -0.041 0.000 1.117 17 L CA 1.221 56.085 54.840 0.041 0.000 0.782 17 L CB -0.531 41.648 42.059 0.199 0.000 0.914 17 L HN 0.401 nan 8.230 nan 0.000 0.441 18 E N -0.705 119.477 120.200 -0.030 0.000 2.409 18 E HA -0.170 4.181 4.350 0.001 0.000 0.198 18 E C 2.165 178.718 176.600 -0.079 0.000 1.024 18 E CA 0.501 56.888 56.400 -0.021 0.000 0.861 18 E CB 0.138 29.839 29.700 0.002 0.000 0.788 18 E HN 0.264 nan 8.360 nan 0.000 0.521 19 V N 0.621 120.408 119.914 -0.213 0.000 2.719 19 V HA -0.133 3.988 4.120 0.001 0.000 0.252 19 V C 0.228 176.189 176.094 -0.221 0.000 1.065 19 V CA 0.822 62.950 62.300 -0.286 0.000 1.086 19 V CB -0.160 31.343 31.823 -0.534 0.000 0.700 19 V HN 0.100 nan 8.190 nan 0.000 0.467 20 Y N 1.155 121.403 120.300 -0.087 0.000 2.326 20 Y HA 0.402 4.953 4.550 0.001 0.000 0.333 20 Y C -1.345 174.530 175.900 -0.041 0.000 1.240 20 Y CA -3.369 54.687 58.100 -0.073 0.000 1.365 20 Y CB -0.849 37.591 38.460 -0.032 0.000 1.289 20 Y HN 0.162 nan 8.280 nan 0.000 0.548 21 P HA 0.057 nan 4.420 nan 0.000 0.271 21 P C 0.389 177.737 177.300 0.080 0.000 1.233 21 P CA -0.139 63.006 63.100 0.075 0.000 0.789 21 P CB 0.764 32.486 31.700 0.036 0.000 0.951 22 E N 0.604 120.835 120.200 0.052 0.000 2.106 22 E HA -0.204 4.147 4.350 0.001 0.000 0.192 22 E C 1.719 178.340 176.600 0.035 0.000 0.984 22 E CA 1.053 57.483 56.400 0.050 0.000 0.806 22 E CB -0.100 29.622 29.700 0.037 0.000 0.750 22 E HN 0.475 nan 8.360 nan 0.000 0.458 23 K N 1.111 121.520 120.400 0.015 0.000 2.009 23 K HA -0.166 4.154 4.320 0.001 0.000 0.210 23 K C 2.163 178.751 176.600 -0.021 0.000 1.049 23 K CA 1.423 57.710 56.287 -0.000 0.000 0.929 23 K CB -0.115 32.379 32.500 -0.010 0.000 0.714 23 K HN 0.060 nan 8.250 nan 0.000 0.440 24 A N 1.264 124.048 122.820 -0.061 0.000 1.898 24 A HA -0.146 4.175 4.320 0.001 0.000 0.216 24 A C 2.154 179.650 177.584 -0.146 0.000 1.181 24 A CA 1.424 53.355 52.037 -0.177 0.000 0.620 24 A CB -0.564 18.235 19.000 -0.335 0.000 0.819 24 A HN 0.397 nan 8.150 nan 0.000 0.442 25 R N 0.016 120.530 120.500 0.024 0.000 2.091 25 R HA -0.164 4.177 4.340 0.001 0.000 0.238 25 R C 2.007 178.382 176.300 0.125 0.000 1.136 25 R CA 1.967 58.180 56.100 0.188 0.000 0.959 25 R CB -0.234 30.189 30.300 0.205 0.000 0.856 25 R HN 0.508 nan 8.270 nan 0.000 0.437 26 K N -0.263 120.182 120.400 0.075 0.000 2.148 26 K HA -0.156 4.165 4.320 0.001 0.000 0.204 26 K C 1.688 178.331 176.600 0.072 0.000 1.050 26 K CA 1.687 58.013 56.287 0.066 0.000 0.942 26 K CB -0.110 32.417 32.500 0.045 0.000 0.724 26 K HN 0.250 nan 8.250 nan 0.000 0.446 27 D N 0.277 120.714 120.400 0.062 0.000 2.110 27 D HA -0.084 4.557 4.640 0.001 0.000 0.202 27 D C 1.950 178.376 176.300 0.211 0.000 0.975 27 D CA 0.841 54.906 54.000 0.109 0.000 0.839 27 D CB 0.312 41.142 40.800 0.049 0.000 0.996 27 D HN -0.102 nan 8.370 nan 0.000 0.464 28 R N 0.781 121.348 120.500 0.113 0.000 2.096 28 R HA -0.127 4.213 4.340 0.001 0.000 0.235 28 R C 2.075 178.523 176.300 0.247 0.000 1.127 28 R CA 0.715 56.915 56.100 0.166 0.000 0.968 28 R CB -1.528 28.817 30.300 0.074 0.000 0.861 28 R HN 0.492 nan 8.270 nan 0.000 0.440 29 N N 1.508 120.327 118.700 0.198 0.000 2.137 29 N HA -0.204 4.536 4.740 0.001 0.000 0.190 29 N C 1.076 176.651 175.510 0.107 0.000 1.017 29 N CA 1.398 54.543 53.050 0.158 0.000 0.859 29 N CB 0.078 38.637 38.487 0.119 0.000 1.002 29 N HN 0.264 nan 8.380 nan 0.000 0.428 30 K N -0.878 119.570 120.400 0.079 0.000 2.283 30 K HA -0.091 4.230 4.320 0.001 0.000 0.202 30 K C 0.823 177.308 176.600 -0.190 0.000 1.048 30 K CA 0.941 57.185 56.287 -0.071 0.000 0.948 30 K CB -0.047 32.365 32.500 -0.146 0.000 0.742 30 K HN 0.422 nan 8.250 nan 0.000 0.458 31 H N -0.604 118.487 119.070 0.035 0.000 2.586 31 H HA 0.244 4.801 4.556 0.001 0.000 0.273 31 H C -0.453 174.924 175.328 0.081 0.000 0.997 31 H CA -0.039 56.030 56.048 0.035 0.000 1.177 31 H CB 0.322 30.127 29.762 0.072 0.000 1.471 31 H HN -0.088 nan 8.280 nan 0.000 0.538 32 L N 0.711 122.041 121.223 0.178 0.000 2.341 32 L HA 0.774 5.114 4.340 0.001 0.000 0.278 32 L C -0.393 176.515 176.870 0.064 0.000 1.005 32 L CA -0.954 53.989 54.840 0.173 0.000 0.818 32 L CB 1.902 44.112 42.059 0.251 0.000 1.259 32 L HN 0.071 nan 8.230 nan 0.000 0.418 33 A N 2.677 125.513 122.820 0.025 0.000 2.606 33 A HA 0.835 5.156 4.320 0.001 0.000 0.293 33 A C -1.445 176.123 177.584 -0.028 0.000 1.082 33 A CA -0.519 51.509 52.037 -0.014 0.000 0.685 33 A CB 1.992 20.965 19.000 -0.045 0.000 1.284 33 A HN 0.309 nan 8.150 nan 0.000 0.408 34 V N 1.991 121.888 119.914 -0.028 0.000 2.417 34 V HA 0.347 4.468 4.120 0.001 0.000 0.291 34 V C 0.417 176.496 176.094 -0.025 0.000 1.024 34 V CA -0.762 61.518 62.300 -0.033 0.000 0.861 34 V CB 1.420 33.225 31.823 -0.030 0.000 0.985 34 V HN 0.963 nan 8.190 nan 0.000 0.436 46 I N 2.611 123.093 120.570 -0.147 0.000 2.722 46 I HA 0.664 4.835 4.170 0.001 0.000 0.292 46 I C -0.981 174.964 176.117 -0.287 0.000 1.267 46 I CA -1.025 60.132 61.300 -0.240 0.000 1.036 46 I CB 2.058 39.857 38.000 -0.335 0.000 1.281 46 I HN 0.461 nan 8.210 nan 0.000 0.423 47 I N 3.628 123.990 120.570 -0.347 0.000 2.822 47 I HA 0.855 5.026 4.170 0.001 0.000 0.312 47 I C -0.454 175.472 176.117 -0.319 0.000 1.011 47 I CA -0.198 60.908 61.300 -0.324 0.000 1.105 47 I CB 1.981 39.791 38.000 -0.316 0.000 1.291 47 I HN 0.647 nan 8.210 nan 0.000 0.474 48 S N 1.092 116.732 115.700 -0.100 0.000 2.672 48 S HA 0.349 4.820 4.470 0.001 0.000 0.271 48 S C -0.181 174.477 174.600 0.097 0.000 1.171 48 S CA -0.409 57.855 58.200 0.107 0.000 0.817 48 S CB 1.183 64.490 63.200 0.178 0.000 1.150 48 S HN 1.080 nan 8.310 nan 0.000 0.478 49 N N 0.114 118.883 118.700 0.114 0.000 2.747 49 N HA -0.143 4.598 4.740 0.001 0.000 0.249 49 N C -0.922 174.603 175.510 0.026 0.000 1.107 49 N CA 0.647 53.689 53.050 -0.014 0.000 0.707 49 N CB -0.627 37.657 38.487 -0.340 0.000 1.054 49 N HN 0.532 nan 8.380 nan 0.000 0.555 50 K N 1.115 121.587 120.400 0.120 0.000 2.185 50 K HA 0.249 4.570 4.320 0.001 0.000 0.240 50 K C 0.259 176.900 176.600 0.070 0.000 0.983 50 K CA -0.645 55.709 56.287 0.113 0.000 0.873 50 K CB 1.170 33.798 32.500 0.214 0.000 1.118 50 K HN 0.149 nan 8.250 nan 0.000 0.441 51 K N 0.706 121.133 120.400 0.045 0.000 2.380 51 K HA 0.087 4.408 4.320 0.001 0.000 0.267 51 K C -0.398 176.195 176.600 -0.011 0.000 0.990 51 K CA 0.272 56.573 56.287 0.023 0.000 0.946 51 K CB 0.449 32.962 32.500 0.022 0.000 0.937 51 K HN 0.362 nan 8.250 nan 0.000 0.491 52 S N 2.807 118.500 115.700 -0.011 0.000 2.548 52 S HA 0.061 4.532 4.470 0.001 0.000 0.277 52 S C -0.232 174.339 174.600 -0.049 0.000 1.315 52 S CA -0.626 57.550 58.200 -0.040 0.000 1.050 52 S CB 0.748 63.946 63.200 -0.005 0.000 0.918 52 S HN 0.477 nan 8.310 nan 0.000 0.497 53 Q N 2.823 122.571 119.800 -0.087 0.000 2.289 53 Q HA 0.191 4.532 4.340 0.001 0.000 0.273 53 Q C -2.219 173.740 176.000 -0.069 0.000 1.029 53 Q CA -1.544 54.204 55.803 -0.092 0.000 0.896 53 Q CB -0.140 28.504 28.738 -0.157 0.000 1.182 53 Q HN 0.371 nan 8.270 nan 0.000 0.385 54 P HA 0.056 nan 4.420 nan 0.000 0.265 54 P C 0.542 177.821 177.300 -0.035 0.000 1.193 54 P CA 0.553 63.634 63.100 -0.032 0.000 0.765 54 P CB 0.522 32.208 31.700 -0.024 0.000 0.823 55 G N 2.026 110.814 108.800 -0.020 0.000 2.143 55 G HA2 -0.257 3.704 3.960 0.001 0.000 0.249 55 G HA3 -0.257 3.704 3.960 0.001 0.000 0.249 55 G C 0.496 175.391 174.900 -0.008 0.000 0.981 55 G CA 0.019 45.111 45.100 -0.013 0.000 0.665 55 G HN 0.514 nan 8.290 nan 0.000 0.528 56 L N -0.482 120.733 121.223 -0.013 0.000 2.640 56 L HA 0.488 4.828 4.340 0.001 0.000 0.230 56 L C 1.554 178.449 176.870 0.042 0.000 1.123 56 L CA 0.445 55.289 54.840 0.007 0.000 0.900 56 L CB 0.166 42.191 42.059 -0.055 0.000 1.146 56 L HN 0.439 nan 8.230 nan 0.000 0.484 57 M N 1.196 120.816 119.600 0.034 0.000 2.450 57 M HA -0.181 4.300 4.480 0.001 0.000 0.192 57 M C 0.387 176.725 176.300 0.063 0.000 0.753 57 M CA 0.202 55.531 55.300 0.048 0.000 0.532 57 M CB -0.791 31.842 32.600 0.055 0.000 1.263 57 M HN 0.298 nan 8.290 nan 0.000 0.885 58 T N -0.056 114.533 114.554 0.059 0.000 2.903 58 T HA 0.265 4.616 4.350 0.001 0.000 0.314 58 T C 1.081 175.855 174.700 0.122 0.000 1.078 58 T CA 0.271 62.423 62.100 0.088 0.000 1.114 58 T CB 0.433 69.350 68.868 0.082 0.000 0.987 58 T HN 0.473 nan 8.240 nan 0.000 0.548 59 I N 2.056 122.739 120.570 0.188 0.000 3.728 59 I HA 0.160 4.331 4.170 0.001 0.000 0.307 59 I C 1.584 177.829 176.117 0.212 0.000 1.276 59 I CA -0.033 61.403 61.300 0.226 0.000 1.285 59 I CB -0.046 38.175 38.000 0.368 0.000 1.038 59 I HN 0.444 nan 8.210 nan 0.000 0.445 60 R N 1.265 121.891 120.500 0.209 0.000 2.679 60 R HA 0.227 4.568 4.340 0.001 0.000 0.268 60 R C 0.648 177.030 176.300 0.137 0.000 1.044 60 R CA 0.268 56.492 56.100 0.207 0.000 1.105 60 R CB 0.501 30.916 30.300 0.190 0.000 0.989 60 R HN 0.192 nan 8.270 nan 0.000 0.447 61 G N 0.606 109.478 108.800 0.121 0.000 2.736 61 G HA2 0.428 4.389 3.960 0.001 0.000 0.229 61 G HA3 0.428 4.389 3.960 0.001 0.000 0.229 61 G C -0.488 174.425 174.900 0.021 0.000 1.380 61 G CA -0.479 44.658 45.100 0.062 0.000 1.040 61 G HN 0.817 nan 8.290 nan 0.000 0.568 62 C N -3.289 116.013 119.300 0.004 0.000 2.822 62 C HA 0.828 5.289 4.460 0.001 0.000 0.341 62 C C 2.015 176.959 174.990 -0.077 0.000 1.301 62 C CA 0.128 59.134 59.018 -0.019 0.000 1.706 62 C CB 1.248 28.999 27.740 0.018 0.000 2.178 62 C HN 1.064 nan 8.230 nan 0.000 0.481 63 A N -0.307 122.455 122.820 -0.097 0.000 1.978 63 A HA -0.117 4.204 4.320 0.001 0.000 0.220 63 A C 1.888 179.415 177.584 -0.094 0.000 1.170 63 A CA 2.078 54.029 52.037 -0.143 0.000 0.636 63 A CB -1.141 17.765 19.000 -0.157 0.000 0.810 63 A HN 1.248 nan 8.150 nan 0.000 0.448 64 Y N 0.641 120.854 120.300 -0.146 0.000 2.145 64 Y HA -0.094 4.456 4.550 0.001 0.000 0.286 64 Y C 2.566 178.416 175.900 -0.083 0.000 1.145 64 Y CA 1.346 59.380 58.100 -0.110 0.000 1.148 64 Y CB -0.569 37.833 38.460 -0.097 0.000 0.981 64 Y HN 0.299 nan 8.280 nan 0.000 0.507 65 A N 0.445 123.275 122.820 0.017 0.000 1.908 65 A HA -0.154 4.167 4.320 0.001 0.000 0.218 65 A C 2.463 179.932 177.584 -0.191 0.000 1.181 65 A CA 1.939 53.929 52.037 -0.078 0.000 0.627 65 A CB -1.762 17.245 19.000 0.012 0.000 0.818 65 A HN 0.636 nan 8.150 nan 0.000 0.445 66 G N -1.386 107.275 108.800 -0.232 0.000 2.402 66 G HA2 -0.114 3.847 3.960 0.001 0.000 0.216 66 G HA3 -0.114 3.847 3.960 0.001 0.000 0.216 66 G C 1.938 176.782 174.900 -0.094 0.000 1.162 66 G CA 1.491 46.426 45.100 -0.275 0.000 0.777 66 G HN 0.579 nan 8.290 nan 0.000 0.539 67 S N -0.482 115.144 115.700 -0.123 0.000 2.341 67 S HA 0.007 4.478 4.470 0.001 0.000 0.216 67 S C 2.258 176.844 174.600 -0.023 0.000 1.034 67 S CA 1.583 59.788 58.200 0.008 0.000 0.964 67 S CB -0.220 62.974 63.200 -0.010 0.000 0.882 67 S HN 0.243 nan 8.310 nan 0.000 0.469 68 K N 0.586 120.799 120.400 -0.312 0.000 2.044 68 K HA 0.074 4.395 4.320 0.001 0.000 0.204 68 K C 2.183 178.604 176.600 -0.299 0.000 1.045 68 K CA 1.401 57.455 56.287 -0.389 0.000 0.951 68 K CB -1.163 30.855 32.500 -0.803 0.000 0.738 68 K HN 0.419 nan 8.250 nan 0.000 0.443 69 G N 0.963 109.562 108.800 -0.335 0.000 2.422 69 G HA2 -0.130 3.831 3.960 0.001 0.000 0.218 69 G HA3 -0.130 3.831 3.960 0.001 0.000 0.218 69 G C 1.571 176.381 174.900 -0.149 0.000 1.140 69 G CA 0.760 45.751 45.100 -0.180 0.000 0.775 69 G HN 0.303 nan 8.290 nan 0.000 0.545 70 I N -1.084 119.381 120.570 -0.174 0.000 3.196 70 I HA 0.111 4.282 4.170 0.001 0.000 0.248 70 I C 2.495 178.445 176.117 -0.279 0.000 1.105 70 I CA 0.114 61.245 61.300 -0.282 0.000 1.482 70 I CB 0.039 37.889 38.000 -0.249 0.000 1.400 70 I HN -0.043 nan 8.210 nan 0.000 0.464 71 V N -0.399 119.440 119.914 -0.126 0.000 2.273 71 V HA -0.188 3.933 4.120 0.001 0.000 0.242 71 V C 1.963 177.947 176.094 -0.184 0.000 1.035 71 V CA 1.790 64.048 62.300 -0.069 0.000 1.013 71 V CB -0.512 31.261 31.823 -0.083 0.000 0.652 71 V HN 0.461 nan 8.190 nan 0.000 0.452 72 W N 0.451 121.634 121.300 -0.194 0.000 2.481 72 W HA 0.184 4.845 4.660 0.001 0.000 0.293 72 W C 2.543 178.679 176.519 -0.638 0.000 1.201 72 W CA 1.049 58.169 57.345 -0.375 0.000 1.328 72 W CB -1.007 28.194 29.460 -0.432 0.000 1.112 72 W HN 0.276 nan 8.180 nan 0.000 0.546 73 G N 1.347 109.974 108.800 -0.289 0.000 2.556 73 G HA2 -0.289 3.672 3.960 0.001 0.000 0.220 73 G HA3 -0.289 3.672 3.960 0.001 0.000 0.220 73 G C -0.827 174.055 174.900 -0.030 0.000 1.156 73 G CA 1.383 46.351 45.100 -0.221 0.000 0.766 73 G HN 0.156 nan 8.290 nan 0.000 0.583 74 P HA 0.003 nan 4.420 nan 0.000 0.220 74 P C 0.725 178.051 177.300 0.044 0.000 1.148 74 P CA 0.485 63.611 63.100 0.043 0.000 0.803 74 P CB 0.005 31.762 31.700 0.095 0.000 0.782 75 I N 1.410 122.031 120.570 0.086 0.000 2.671 75 I HA -0.096 4.075 4.170 0.001 0.000 0.285 75 I C 1.864 178.092 176.117 0.185 0.000 1.148 75 I CA 0.362 61.738 61.300 0.128 0.000 1.386 75 I CB 0.344 38.452 38.000 0.179 0.000 1.406 75 I HN 0.087 nan 8.210 nan 0.000 0.540 76 K N 4.626 125.047 120.400 0.034 0.000 2.137 76 K HA -0.093 4.228 4.320 0.001 0.000 0.202 76 K C 0.838 177.428 176.600 -0.017 0.000 1.052 76 K CA 0.957 57.191 56.287 -0.089 0.000 0.961 76 K CB 0.019 32.442 32.500 -0.128 0.000 0.741 76 K HN 0.622 nan 8.250 nan 0.000 0.452 77 D N 0.603 121.033 120.400 0.050 0.000 2.340 77 D HA 0.041 4.682 4.640 0.001 0.000 0.220 77 D C 0.519 176.941 176.300 0.203 0.000 1.039 77 D CA 0.164 54.237 54.000 0.121 0.000 0.866 77 D CB -0.034 40.814 40.800 0.080 0.000 0.913 77 D HN 0.222 nan 8.370 nan 0.000 0.523 78 M N 0.312 119.950 119.600 0.064 0.000 2.478 78 M HA 0.396 4.876 4.480 0.001 0.000 0.327 78 M C -0.200 175.782 176.300 -0.531 0.000 1.187 78 M CA -0.804 54.387 55.300 -0.181 0.000 1.022 78 M CB 2.487 35.011 32.600 -0.127 0.000 1.629 78 M HN -0.253 nan 8.290 nan 0.000 0.461 79 I N 2.479 122.584 120.570 -0.774 0.000 2.321 79 I HA 0.214 4.385 4.170 0.001 0.000 0.291 79 I C -0.504 175.100 176.117 -0.854 0.000 0.998 79 I CA -0.624 60.035 61.300 -1.069 0.000 1.227 79 I CB 0.609 37.735 38.000 -1.457 0.000 1.368 79 I HN 0.501 nan 8.210 nan 0.000 0.466 80 H N 7.044 125.930 119.070 -0.308 0.000 2.504 80 H HA 0.396 4.953 4.556 0.001 0.000 0.322 80 H C -0.378 174.878 175.328 -0.120 0.000 1.055 80 H CA -0.752 55.184 56.048 -0.187 0.000 1.231 80 H CB 1.690 31.414 29.762 -0.063 0.000 1.417 80 H HN 0.281 nan 8.280 nan 0.000 0.472 81 I N 2.621 123.157 120.570 -0.058 0.000 2.304 81 I HA 0.026 4.197 4.170 0.001 0.000 0.291 81 I C 0.661 176.818 176.117 0.068 0.000 1.018 81 I CA -0.299 60.999 61.300 -0.003 0.000 1.260 81 I CB 0.659 38.600 38.000 -0.099 0.000 1.390 81 I HN 0.360 nan 8.210 nan 0.000 0.475 82 S N 5.977 121.761 115.700 0.140 0.000 2.498 82 S HA 0.049 4.520 4.470 0.001 0.000 0.314 82 S C 0.028 174.688 174.600 0.099 0.000 1.141 82 S CA -0.069 58.232 58.200 0.168 0.000 1.087 82 S CB -0.663 62.643 63.200 0.176 0.000 1.178 82 S HN 0.402 nan 8.310 nan 0.000 0.533 83 H N 2.407 121.432 119.070 -0.075 0.000 2.640 83 H HA 0.628 5.185 4.556 0.001 0.000 0.297 83 H C 0.513 175.589 175.328 -0.419 0.000 1.073 83 H CA 0.950 56.893 56.048 -0.176 0.000 1.305 83 H CB 0.004 29.683 29.762 -0.138 0.000 1.404 83 H HN 0.791 nan 8.280 nan 0.000 0.459 84 G N 4.243 112.537 108.800 -0.843 0.000 2.302 84 G HA2 -0.036 3.925 3.960 0.001 0.000 0.264 84 G HA3 -0.036 3.925 3.960 0.001 0.000 0.264 84 G C -2.967 171.656 174.900 -0.462 0.000 1.335 84 G CA -0.840 43.600 45.100 -1.099 0.000 0.982 84 G HN 0.491 nan 8.290 nan 0.000 0.473 85 P HA 0.377 nan 4.420 nan 0.000 0.277 85 P C 1.083 178.321 177.300 -0.103 0.000 1.276 85 P CA -0.147 62.915 63.100 -0.063 0.000 0.788 85 P CB 1.016 32.692 31.700 -0.040 0.000 1.114 86 V N 0.336 120.204 119.914 -0.077 0.000 2.871 86 V HA -0.051 4.070 4.120 0.001 0.000 0.256 86 V C 2.001 177.953 176.094 -0.237 0.000 1.082 86 V CA 2.433 64.662 62.300 -0.117 0.000 1.105 86 V CB -1.389 30.383 31.823 -0.084 0.000 0.713 86 V HN 0.705 nan 8.190 nan 0.000 0.473 87 G N -0.382 108.262 108.800 -0.260 0.000 2.484 87 G HA2 -0.283 3.678 3.960 0.001 0.000 0.215 87 G HA3 -0.283 3.678 3.960 0.001 0.000 0.215 87 G C 1.762 176.309 174.900 -0.588 0.000 1.219 87 G CA 1.369 46.166 45.100 -0.506 0.000 0.791 87 G HN 0.580 nan 8.290 nan 0.000 0.550 88 C N 1.100 120.232 119.300 -0.279 0.000 2.398 88 C HA 0.006 4.467 4.460 0.001 0.000 0.276 88 C C 3.210 178.133 174.990 -0.111 0.000 1.222 88 C CA 0.591 59.454 59.018 -0.258 0.000 1.746 88 C CB -1.492 25.759 27.740 -0.814 0.000 2.039 88 C HN 0.496 nan 8.230 nan 0.000 0.470 89 G N -0.379 108.346 108.800 -0.124 0.000 2.422 89 G HA2 -0.239 3.722 3.960 0.001 0.000 0.218 89 G HA3 -0.239 3.722 3.960 0.001 0.000 0.218 89 G C 1.601 176.479 174.900 -0.036 0.000 1.146 89 G CA 1.218 46.336 45.100 0.029 0.000 0.769 89 G HN 0.589 nan 8.290 nan 0.000 0.547 90 Q N -0.347 119.327 119.800 -0.209 0.000 2.049 90 Q HA -0.026 4.315 4.340 0.001 0.000 0.198 90 Q C 2.220 178.148 176.000 -0.121 0.000 0.971 90 Q CA 1.202 56.869 55.803 -0.226 0.000 0.833 90 Q CB -0.404 28.110 28.738 -0.375 0.000 0.896 90 Q HN 0.562 nan 8.270 nan 0.000 0.434 91 Y N -0.008 120.317 120.300 0.042 0.000 2.352 91 Y HA -0.030 4.521 4.550 0.001 0.000 0.292 91 Y C 2.302 178.249 175.900 0.077 0.000 1.136 91 Y CA 1.117 59.248 58.100 0.052 0.000 1.227 91 Y CB -0.659 37.825 38.460 0.040 0.000 0.991 91 Y HN 0.266 nan 8.280 nan 0.000 0.545 92 S N 0.007 115.838 115.700 0.218 0.000 2.575 92 S HA 0.082 4.553 4.470 0.001 0.000 0.215 92 S C 0.828 175.508 174.600 0.134 0.000 0.966 92 S CA -0.657 57.656 58.200 0.188 0.000 0.911 92 S CB -0.374 62.972 63.200 0.244 0.000 0.780 92 S HN 0.295 nan 8.310 nan 0.000 0.514 93 R N 1.888 122.453 120.500 0.109 0.000 2.343 93 R HA 0.458 4.798 4.340 0.001 0.000 0.326 93 R C 0.855 177.216 176.300 0.103 0.000 1.055 93 R CA 0.821 56.974 56.100 0.088 0.000 0.961 93 R CB -0.597 29.733 30.300 0.050 0.000 0.978 93 R HN 0.476 nan 8.270 nan 0.000 0.443 94 A N 3.100 125.988 122.820 0.114 0.000 2.826 94 A HA -0.216 4.105 4.320 0.001 0.000 0.274 94 A C 1.280 178.948 177.584 0.140 0.000 1.443 94 A CA 1.279 53.397 52.037 0.135 0.000 0.833 94 A CB -2.158 16.919 19.000 0.129 0.000 1.023 94 A HN 0.989 nan 8.150 nan 0.000 0.600 95 G N -1.063 107.813 108.800 0.128 0.000 2.408 95 G HA2 0.159 4.120 3.960 0.001 0.000 0.215 95 G HA3 0.159 4.120 3.960 0.001 0.000 0.215 95 G C 0.750 175.720 174.900 0.118 0.000 1.156 95 G CA 0.842 46.020 45.100 0.129 0.000 0.793 95 G HN 0.770 nan 8.290 nan 0.000 0.535 96 R N 0.352 120.907 120.500 0.091 0.000 2.368 96 R HA 0.414 4.755 4.340 0.001 0.000 0.302 96 R C -0.057 176.298 176.300 0.091 0.000 1.002 96 R CA -0.594 55.538 56.100 0.054 0.000 0.929 96 R CB 0.640 30.946 30.300 0.009 0.000 1.073 96 R HN 0.019 nan 8.270 nan 0.000 0.464 97 R N 2.961 123.489 120.500 0.047 0.000 4.609 97 R HA 0.072 4.413 4.340 0.001 0.000 0.235 97 R C -0.344 175.978 176.300 0.036 0.000 1.836 97 R CA -0.146 56.011 56.100 0.095 0.000 1.564 97 R CB -0.358 29.920 30.300 -0.037 0.000 1.382 97 R HN 0.593 nan 8.270 nan 0.000 0.776 98 N N 1.097 119.871 118.700 0.124 0.000 2.434 98 N HA -0.044 4.697 4.740 0.001 0.000 0.273 98 N C -0.727 174.968 175.510 0.308 0.000 1.210 98 N CA -0.011 53.115 53.050 0.125 0.000 0.992 98 N CB 0.395 38.952 38.487 0.117 0.000 1.355 98 N HN 0.034 nan 8.380 nan 0.000 0.495 99 Y N 2.234 122.509 120.300 -0.041 0.000 2.397 99 Y HA 0.143 4.694 4.550 0.002 0.000 0.335 99 Y C 0.318 176.249 175.900 0.052 0.000 1.213 99 Y CA -0.857 57.217 58.100 -0.043 0.000 1.391 99 Y CB 0.249 38.545 38.460 -0.274 0.000 1.293 99 Y HN 0.506 nan 8.280 nan 0.000 0.557 100 Y N 0.114 120.554 120.300 0.233 0.000 2.609 100 Y HA 0.665 5.216 4.550 0.002 0.000 0.336 100 Y C -1.862 174.268 175.900 0.383 0.000 1.129 100 Y CA -1.895 56.416 58.100 0.352 0.000 1.040 100 Y CB 0.795 39.367 38.460 0.187 0.000 1.310 100 Y HN 0.225 nan 8.280 nan 0.000 0.460 101 I N 2.514 123.305 120.570 0.368 0.000 2.354 101 I HA 0.815 4.986 4.170 0.001 0.000 0.292 101 I C 0.390 176.604 176.117 0.163 0.000 0.989 101 I CA -0.166 61.191 61.300 0.094 0.000 1.188 101 I CB 0.702 38.714 38.000 0.019 0.000 1.342 101 I HN 1.001 nan 8.210 nan 0.000 0.457 102 G N 4.084 112.920 108.800 0.060 0.000 2.441 102 G HA2 0.357 4.318 3.960 0.001 0.000 0.294 102 G HA3 0.357 4.318 3.960 0.001 0.000 0.294 102 G C -1.461 173.463 174.900 0.041 0.000 1.393 102 G CA -0.448 44.719 45.100 0.112 0.000 0.796 102 G HN 0.318 nan 8.290 nan 0.000 0.494 103 T N 1.854 116.418 114.554 0.018 0.000 3.042 103 T HA 0.501 4.852 4.350 0.001 0.000 0.356 103 T C 0.214 174.905 174.700 -0.015 0.000 1.233 103 T CA -0.130 61.971 62.100 0.002 0.000 1.038 103 T CB 0.583 69.450 68.868 -0.002 0.000 1.089 103 T HN 0.556 nan 8.240 nan 0.000 0.531 104 T N 2.456 117.035 114.554 0.041 0.000 2.888 104 T HA 0.418 4.769 4.350 0.001 0.000 0.301 104 T C 1.547 176.298 174.700 0.085 0.000 1.001 104 T CA 0.815 62.949 62.100 0.056 0.000 1.147 104 T CB 0.633 69.595 68.868 0.157 0.000 0.931 104 T HN 0.896 nan 8.240 nan 0.000 0.541 105 G N 1.938 110.815 108.800 0.128 0.000 2.241 105 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 105 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 105 G C 0.726 175.919 174.900 0.488 0.000 0.998 105 G CA 0.287 45.642 45.100 0.424 0.000 0.621 105 G HN 0.621 nan 8.290 nan 0.000 0.519 106 V N 0.688 120.705 119.914 0.171 0.000 2.735 106 V HA 0.203 4.324 4.120 0.001 0.000 0.234 106 V C 1.876 178.021 176.094 0.085 0.000 1.121 106 V CA 2.214 64.620 62.300 0.176 0.000 1.160 106 V CB 0.173 32.046 31.823 0.084 0.000 0.908 106 V HN 0.668 nan 8.190 nan 0.000 0.495 107 N N 0.026 118.618 118.700 -0.180 0.000 2.181 107 N HA 0.434 5.175 4.740 0.001 0.000 0.207 107 N C -0.028 175.096 175.510 -0.642 0.000 1.182 107 N CA 0.586 53.496 53.050 -0.233 0.000 0.893 107 N CB 0.909 39.364 38.487 -0.053 0.000 1.032 107 N HN 0.442 nan 8.380 nan 0.000 0.513 108 A N -0.152 122.108 122.820 -0.934 0.000 2.454 108 A HA 0.687 5.008 4.320 0.001 0.000 0.302 108 A C -1.306 175.621 177.584 -1.095 0.000 1.079 108 A CA -0.670 50.870 52.037 -0.829 0.000 0.731 108 A CB 0.821 19.743 19.000 -0.130 0.000 1.299 108 A HN 0.263 nan 8.150 nan 0.000 0.413 109 F N 0.970 120.894 119.950 -0.043 0.000 2.936 109 F HA 0.164 4.692 4.527 0.002 0.000 0.334 109 F C 1.328 177.129 175.800 0.002 0.000 1.170 109 F CA -0.138 57.878 58.000 0.027 0.000 1.104 109 F CB 0.041 39.046 39.000 0.009 0.000 1.216 109 F HN 0.307 nan 8.300 nan 0.000 0.518 110 V N 0.366 120.206 119.914 -0.123 0.000 2.295 110 V HA -0.263 3.858 4.120 0.001 0.000 0.246 110 V C 2.436 178.577 176.094 0.078 0.000 1.049 110 V CA 2.796 65.019 62.300 -0.128 0.000 1.024 110 V CB -0.970 30.478 31.823 -0.625 0.000 0.648 110 V HN 0.561 nan 8.190 nan 0.000 0.447 111 T N -2.820 111.824 114.554 0.150 0.000 3.160 111 T HA 0.168 4.519 4.350 0.001 0.000 0.257 111 T C 0.608 175.373 174.700 0.109 0.000 1.147 111 T CA 0.281 62.484 62.100 0.173 0.000 1.064 111 T CB -0.277 68.719 68.868 0.213 0.000 0.949 111 T HN 0.293 nan 8.240 nan 0.000 0.526 112 M N 2.075 121.732 119.600 0.096 0.000 2.291 112 M HA 0.391 4.872 4.480 0.001 0.000 0.324 112 M C -0.017 176.233 176.300 -0.084 0.000 1.148 112 M CA -0.742 54.528 55.300 -0.051 0.000 1.104 112 M CB 0.680 33.181 32.600 -0.165 0.000 1.483 112 M HN -0.056 nan 8.290 nan 0.000 0.467 113 N N 1.662 120.220 118.700 -0.237 0.000 2.564 113 N HA 0.374 5.115 4.740 0.001 0.000 0.248 113 N C -2.045 173.284 175.510 -0.302 0.000 0.986 113 N CA -0.223 52.738 53.050 -0.148 0.000 0.921 113 N CB 0.298 38.737 38.487 -0.080 0.000 1.136 113 N HN 0.360 nan 8.380 nan 0.000 0.509 114 F N 1.249 121.174 119.950 -0.041 0.000 2.408 114 F HA 0.514 5.042 4.527 0.001 0.000 0.344 114 F C 1.202 176.989 175.800 -0.021 0.000 1.112 114 F CA -0.359 57.602 58.000 -0.066 0.000 1.096 114 F CB 1.967 40.875 39.000 -0.154 0.000 1.129 114 F HN 0.184 nan 8.300 nan 0.000 0.486 115 T N 0.031 114.675 114.554 0.151 0.000 2.932 115 T HA 0.271 4.621 4.350 0.001 0.000 0.318 115 T C 0.375 175.159 174.700 0.139 0.000 1.265 115 T CA -0.338 61.831 62.100 0.116 0.000 1.036 115 T CB 1.223 70.121 68.868 0.050 0.000 1.209 115 T HN 0.604 nan 8.240 nan 0.000 0.484 116 S N 2.204 118.023 115.700 0.197 0.000 2.593 116 S HA 0.129 4.600 4.470 0.001 0.000 0.217 116 S C 0.638 175.405 174.600 0.279 0.000 0.966 116 S CA 0.847 59.221 58.200 0.290 0.000 0.914 116 S CB -0.475 63.066 63.200 0.569 0.000 0.776 116 S HN 0.942 nan 8.310 nan 0.000 0.523 117 D N 0.818 121.326 120.400 0.180 0.000 2.810 117 D HA -0.205 4.436 4.640 0.001 0.000 0.224 117 D C -1.039 175.380 176.300 0.198 0.000 1.222 117 D CA 0.266 54.343 54.000 0.128 0.000 0.698 117 D CB -2.013 38.828 40.800 0.068 0.000 0.961 117 D HN 0.327 nan 8.370 nan 0.000 0.403 118 F N 1.128 121.050 119.950 -0.047 0.000 2.612 118 F HA 0.095 4.623 4.527 0.001 0.000 0.389 118 F C 1.532 177.307 175.800 -0.042 0.000 1.055 118 F CA 0.350 58.317 58.000 -0.054 0.000 1.232 118 F CB 0.439 39.387 39.000 -0.088 0.000 1.044 118 F HN 0.143 nan 8.300 nan 0.000 0.560 119 Q N 2.276 122.065 119.800 -0.017 0.000 2.286 119 Q HA 0.167 4.508 4.340 0.001 0.000 0.250 119 Q C 1.266 177.233 176.000 -0.055 0.000 1.021 119 Q CA -0.602 55.183 55.803 -0.029 0.000 0.930 119 Q CB 0.716 29.418 28.738 -0.060 0.000 1.266 119 Q HN 0.699 nan 8.270 nan 0.000 0.491 120 E N 0.704 120.884 120.200 -0.032 0.000 2.153 120 E HA -0.201 4.150 4.350 0.001 0.000 0.194 120 E C 1.372 177.950 176.600 -0.037 0.000 0.988 120 E CA 1.439 57.829 56.400 -0.016 0.000 0.811 120 E CB 0.230 29.928 29.700 -0.003 0.000 0.746 120 E HN 0.514 nan 8.360 nan 0.000 0.466 121 K N 0.304 120.652 120.400 -0.088 0.000 2.103 121 K HA -0.180 4.141 4.320 0.001 0.000 0.207 121 K C 1.396 177.918 176.600 -0.129 0.000 1.048 121 K CA 1.758 57.967 56.287 -0.130 0.000 0.930 121 K CB -0.061 32.293 32.500 -0.243 0.000 0.716 121 K HN 0.049 nan 8.250 nan 0.000 0.444 122 D N 1.131 121.381 120.400 -0.251 0.000 2.183 122 D HA -0.063 4.578 4.640 0.001 0.000 0.203 122 D C 2.022 178.164 176.300 -0.263 0.000 0.969 122 D CA 0.790 54.517 54.000 -0.455 0.000 0.842 122 D CB 0.014 40.131 40.800 -1.139 0.000 0.957 122 D HN 0.190 nan 8.370 nan 0.000 0.484 123 I N 0.926 121.445 120.570 -0.086 0.000 2.252 123 I HA -0.159 4.012 4.170 0.001 0.000 0.245 123 I C 2.490 178.646 176.117 0.064 0.000 1.102 123 I CA 0.682 62.020 61.300 0.062 0.000 1.385 123 I CB -0.897 37.151 38.000 0.081 0.000 1.064 123 I HN -0.101 nan 8.210 nan 0.000 0.414 124 V N 0.074 120.037 119.914 0.082 0.000 2.302 124 V HA -0.189 3.932 4.120 0.001 0.000 0.243 124 V C 2.288 178.462 176.094 0.134 0.000 1.036 124 V CA 1.557 63.927 62.300 0.116 0.000 1.020 124 V CB -0.674 31.255 31.823 0.177 0.000 0.657 124 V HN 0.116 nan 8.190 nan 0.000 0.453 125 F N 0.655 120.570 119.950 -0.058 0.000 2.293 125 F HA 0.427 4.955 4.527 0.002 0.000 0.297 125 F C 1.432 177.204 175.800 -0.046 0.000 1.089 125 F CA 0.968 58.937 58.000 -0.052 0.000 1.377 125 F CB -0.452 38.509 39.000 -0.065 0.000 1.051 125 F HN 0.343 nan 8.300 nan 0.000 0.511 126 G N -1.081 107.786 108.800 0.112 0.000 2.570 126 G HA2 0.178 4.138 3.960 0.001 0.000 0.686 126 G HA3 0.178 4.138 3.960 0.001 0.000 0.686 126 G C 0.459 175.355 174.900 -0.006 0.000 1.257 126 G CA -0.599 44.542 45.100 0.068 0.000 0.846 126 G HN 0.487 nan 8.290 nan 0.000 0.627 127 G N -1.069 107.770 108.800 0.065 0.000 3.324 127 G HA2 0.397 4.358 3.960 0.001 0.000 0.251 127 G HA3 0.397 4.358 3.960 0.001 0.000 0.251 127 G C 0.769 175.801 174.900 0.220 0.000 1.072 127 G CA 1.301 46.441 45.100 0.067 0.000 0.787 127 G HN 0.569 nan 8.290 nan 0.000 0.537 128 D N 1.164 121.661 120.400 0.161 0.000 2.117 128 D HA -0.032 4.609 4.640 0.001 0.000 0.198 128 D C 2.261 178.597 176.300 0.060 0.000 0.982 128 D CA 0.798 54.867 54.000 0.115 0.000 0.828 128 D CB 0.139 40.988 40.800 0.082 0.000 0.967 128 D HN 0.233 nan 8.370 nan 0.000 0.464 129 K N 0.433 120.863 120.400 0.049 0.000 2.148 129 K HA -0.096 4.225 4.320 0.001 0.000 0.204 129 K C 2.013 178.622 176.600 0.016 0.000 1.050 129 K CA 0.668 56.970 56.287 0.026 0.000 0.942 129 K CB 0.107 32.624 32.500 0.027 0.000 0.724 129 K HN -0.004 nan 8.250 nan 0.000 0.446 130 K N 1.147 121.561 120.400 0.024 0.000 2.062 130 K HA -0.057 4.263 4.320 0.001 0.000 0.205 130 K C 2.067 178.698 176.600 0.051 0.000 1.051 130 K CA 0.661 56.964 56.287 0.027 0.000 0.941 130 K CB 0.034 32.539 32.500 0.008 0.000 0.719 130 K HN 0.081 nan 8.250 nan 0.000 0.440 131 L N 0.568 121.830 121.223 0.065 0.000 2.046 131 L HA -0.181 4.160 4.340 0.001 0.000 0.208 131 L C 2.365 179.195 176.870 -0.067 0.000 1.077 131 L CA 1.621 56.431 54.840 -0.049 0.000 0.747 131 L CB -0.515 41.439 42.059 -0.174 0.000 0.896 131 L HN 0.314 nan 8.230 nan 0.000 0.432 132 A N -0.050 122.747 122.820 -0.039 0.000 1.877 132 A HA -0.281 4.040 4.320 0.001 0.000 0.216 132 A C 2.227 179.793 177.584 -0.030 0.000 1.186 132 A CA 2.014 54.027 52.037 -0.040 0.000 0.620 132 A CB -0.449 18.537 19.000 -0.023 0.000 0.822 132 A HN 0.320 nan 8.150 nan 0.000 0.443 133 K N 0.034 120.425 120.400 -0.015 0.000 2.097 133 K HA -0.120 4.201 4.320 0.001 0.000 0.206 133 K C 1.770 178.367 176.600 -0.005 0.000 1.049 133 K CA 1.637 57.919 56.287 -0.009 0.000 0.933 133 K CB -0.548 31.949 32.500 -0.004 0.000 0.717 133 K HN 0.500 nan 8.250 nan 0.000 0.442 134 L N -0.739 120.482 121.223 -0.004 0.000 2.156 134 L HA 0.114 4.455 4.340 0.001 0.000 0.208 134 L C 1.828 178.684 176.870 -0.024 0.000 1.095 134 L CA 1.475 56.318 54.840 0.006 0.000 0.770 134 L CB -0.526 41.548 42.059 0.026 0.000 0.914 134 L HN 0.132 nan 8.230 nan 0.000 0.439 135 I N 0.482 121.016 120.570 -0.060 0.000 2.226 135 I HA -0.254 3.917 4.170 0.001 0.000 0.245 135 I C 2.114 178.199 176.117 -0.054 0.000 1.100 135 I CA 1.454 62.702 61.300 -0.086 0.000 1.374 135 I CB -0.519 37.419 38.000 -0.103 0.000 1.057 135 I HN 0.311 nan 8.210 nan 0.000 0.413 136 D N 0.681 121.061 120.400 -0.033 0.000 2.117 136 D HA -0.185 4.455 4.640 0.001 0.000 0.197 136 D C 2.109 178.407 176.300 -0.003 0.000 0.987 136 D CA 1.263 55.252 54.000 -0.019 0.000 0.829 136 D CB -0.211 40.580 40.800 -0.014 0.000 0.961 136 D HN 0.419 nan 8.370 nan 0.000 0.460 137 E N 0.131 120.338 120.200 0.011 0.000 2.106 137 E HA -0.100 4.251 4.350 0.001 0.000 0.192 137 E C 2.277 178.926 176.600 0.083 0.000 0.984 137 E CA 0.412 56.835 56.400 0.039 0.000 0.806 137 E CB 0.175 29.907 29.700 0.053 0.000 0.750 137 E HN 0.074 nan 8.360 nan 0.000 0.458 138 V N 1.737 121.698 119.914 0.077 0.000 2.295 138 V HA -0.233 3.888 4.120 0.001 0.000 0.246 138 V C 2.230 178.385 176.094 0.102 0.000 1.049 138 V CA 1.652 64.027 62.300 0.124 0.000 1.024 138 V CB -0.381 31.383 31.823 -0.098 0.000 0.648 138 V HN 0.203 nan 8.190 nan 0.000 0.447 139 E N 0.586 120.793 120.200 0.012 0.000 2.077 139 E HA -0.197 4.154 4.350 0.001 0.000 0.193 139 E C 2.467 179.072 176.600 0.008 0.000 0.989 139 E CA 2.055 58.456 56.400 0.000 0.000 0.800 139 E CB -0.593 29.095 29.700 -0.019 0.000 0.746 139 E HN 0.839 nan 8.360 nan 0.000 0.452 140 T N -1.096 113.457 114.554 -0.001 0.000 2.812 140 T HA -0.045 4.306 4.350 0.001 0.000 0.264 140 T C 2.105 176.760 174.700 -0.075 0.000 1.042 140 T CA 0.774 62.858 62.100 -0.026 0.000 1.140 140 T CB -0.294 68.559 68.868 -0.024 0.000 0.870 140 T HN 0.066 nan 8.240 nan 0.000 0.445 141 L N -1.319 119.830 121.223 -0.122 0.000 2.477 141 L HA 0.399 4.740 4.340 0.001 0.000 0.220 141 L C 0.165 176.598 176.870 -0.729 0.000 1.106 141 L CA 0.232 54.828 54.840 -0.406 0.000 0.851 141 L CB 0.251 42.024 42.059 -0.476 0.000 0.994 141 L HN 0.194 nan 8.230 nan 0.000 0.462 142 F N -0.662 119.296 119.950 0.013 0.000 2.593 142 F HA 0.311 4.838 4.527 0.001 0.000 0.336 142 F C -1.640 174.159 175.800 -0.001 0.000 1.491 142 F CA -1.735 56.278 58.000 0.022 0.000 1.114 142 F CB 0.230 39.156 39.000 -0.124 0.000 1.468 142 F HN -0.182 nan 8.300 nan 0.000 0.579 143 P HA -0.188 nan 4.420 nan 0.000 0.216 143 P C 1.579 178.944 177.300 0.109 0.000 1.150 143 P CA 1.229 64.376 63.100 0.079 0.000 0.843 143 P CB 0.579 32.308 31.700 0.049 0.000 0.787 144 L N -0.221 121.111 121.223 0.181 0.000 2.610 144 L HA 0.014 4.355 4.340 0.001 0.000 0.232 144 L C 0.987 178.007 176.870 0.250 0.000 1.149 144 L CA 0.216 55.171 54.840 0.191 0.000 0.872 144 L CB -1.886 40.286 42.059 0.189 0.000 0.992 144 L HN 0.072 nan 8.230 nan 0.000 0.447 145 N N -0.539 118.304 118.700 0.240 0.000 2.454 145 N HA -0.059 4.682 4.740 0.001 0.000 0.254 145 N C 0.446 175.988 175.510 0.052 0.000 1.228 145 N CA 0.365 53.489 53.050 0.123 0.000 0.900 145 N CB 0.397 38.709 38.487 -0.291 0.000 1.089 145 N HN -0.054 nan 8.380 nan 0.000 0.449 146 K N 0.982 121.415 120.400 0.056 0.000 2.440 146 K HA 0.275 4.595 4.320 0.001 0.000 0.206 146 K C -0.018 176.579 176.600 -0.005 0.000 1.025 146 K CA -0.119 56.188 56.287 0.033 0.000 1.135 146 K CB 0.320 32.853 32.500 0.055 0.000 0.856 146 K HN 0.847 nan 8.250 nan 0.000 0.502 147 G N 0.982 109.745 108.800 -0.062 0.000 2.352 147 G HA2 0.176 4.137 3.960 0.001 0.000 0.305 147 G HA3 0.176 4.137 3.960 0.001 0.000 0.305 147 G C -1.599 173.188 174.900 -0.188 0.000 1.537 147 G CA -1.015 44.033 45.100 -0.086 0.000 0.959 147 G HN 0.029 nan 8.290 nan 0.000 0.668 148 I N 0.866 121.314 120.570 -0.204 0.000 2.608 148 I HA 0.638 4.809 4.170 0.001 0.000 0.295 148 I C 0.343 176.286 176.117 -0.290 0.000 1.049 148 I CA -0.997 60.126 61.300 -0.296 0.000 1.063 148 I CB 2.450 40.269 38.000 -0.302 0.000 1.248 148 I HN 0.745 nan 8.210 nan 0.000 0.424 149 S N 4.476 119.993 115.700 -0.306 0.000 2.532 149 S HA 0.680 5.151 4.470 0.001 0.000 0.301 149 S C -0.921 173.461 174.600 -0.363 0.000 1.083 149 S CA -0.734 57.209 58.200 -0.429 0.000 1.025 149 S CB 2.243 65.073 63.200 -0.615 0.000 1.056 149 S HN 0.447 nan 8.310 nan 0.000 0.494 150 V N 3.241 122.907 119.914 -0.413 0.000 2.326 150 V HA 0.436 4.557 4.120 0.001 0.000 0.281 150 V C -1.077 174.857 176.094 -0.267 0.000 1.015 150 V CA -0.419 61.696 62.300 -0.308 0.000 0.823 150 V CB 1.192 32.811 31.823 -0.341 0.000 1.009 150 V HN 0.956 nan 8.190 nan 0.000 0.436 151 Q N 4.627 124.333 119.800 -0.157 0.000 2.377 151 Q HA 0.396 4.736 4.340 0.001 0.000 0.249 151 Q C 0.125 176.149 176.000 0.041 0.000 1.005 151 Q CA -0.033 55.713 55.803 -0.096 0.000 0.912 151 Q CB 1.435 30.132 28.738 -0.068 0.000 1.223 151 Q HN 0.771 nan 8.270 nan 0.000 0.459 152 S N 2.624 118.319 115.700 -0.008 0.000 2.533 152 S HA 0.104 4.575 4.470 0.001 0.000 0.282 152 S C 0.312 174.899 174.600 -0.021 0.000 1.304 152 S CA -0.174 58.017 58.200 -0.016 0.000 1.063 152 S CB 0.798 63.966 63.200 -0.052 0.000 0.881 152 S HN 0.389 nan 8.310 nan 0.000 0.493 153 E N 0.803 120.916 120.200 -0.144 0.000 2.239 153 E HA 0.249 4.600 4.350 0.001 0.000 0.261 153 E C 0.848 177.345 176.600 -0.172 0.000 1.016 153 E CA -0.886 55.378 56.400 -0.227 0.000 0.882 153 E CB 0.550 30.029 29.700 -0.368 0.000 1.190 153 E HN 0.612 nan 8.360 nan 0.000 0.415 154 C N 1.409 120.641 119.300 -0.113 0.000 2.347 154 C HA -0.183 4.277 4.460 0.001 0.000 0.270 154 C C -0.473 174.618 174.990 0.169 0.000 1.145 154 C CA 1.182 60.254 59.018 0.090 0.000 1.802 154 C CB -1.679 26.129 27.740 0.114 0.000 2.084 154 C HN 0.717 nan 8.230 nan 0.000 0.446 155 P HA -0.013 nan 4.420 nan 0.000 0.229 155 P C 1.434 178.740 177.300 0.010 0.000 1.160 155 P CA 0.993 64.095 63.100 0.004 0.000 0.777 155 P CB -0.296 31.378 31.700 -0.043 0.000 0.814 156 I N -0.120 120.407 120.570 -0.072 0.000 2.208 156 I HA -0.144 4.027 4.170 0.001 0.000 0.245 156 I C 2.347 178.507 176.117 0.072 0.000 1.097 156 I CA 2.121 63.391 61.300 -0.050 0.000 1.363 156 I CB -2.082 35.857 38.000 -0.101 0.000 1.051 156 I HN 0.039 nan 8.210 nan 0.000 0.413 157 G N 0.570 109.460 108.800 0.150 0.000 2.408 157 G HA2 -0.053 3.908 3.960 0.001 0.000 0.215 157 G HA3 -0.053 3.908 3.960 0.001 0.000 0.215 157 G C 1.820 176.802 174.900 0.137 0.000 1.156 157 G CA 0.038 45.258 45.100 0.200 0.000 0.793 157 G HN 0.305 nan 8.290 nan 0.000 0.535 158 L N 0.215 121.495 121.223 0.096 0.000 2.083 158 L HA 0.052 4.393 4.340 0.001 0.000 0.209 158 L C 2.605 179.472 176.870 -0.005 0.000 1.083 158 L CA 0.693 55.502 54.840 -0.051 0.000 0.752 158 L CB -0.276 41.712 42.059 -0.117 0.000 0.899 158 L HN 0.180 nan 8.230 nan 0.000 0.433 159 I N -0.088 120.507 120.570 0.041 0.000 2.928 159 I HA -0.072 4.099 4.170 0.001 0.000 0.266 159 I C 1.307 177.454 176.117 0.049 0.000 1.234 159 I CA 0.857 62.191 61.300 0.055 0.000 1.483 159 I CB -0.097 37.968 38.000 0.110 0.000 1.097 159 I HN 0.478 nan 8.210 nan 0.000 0.455 160 G N 1.495 110.325 108.800 0.051 0.000 2.149 160 G HA2 -0.223 3.738 3.960 0.001 0.000 0.235 160 G HA3 -0.223 3.738 3.960 0.001 0.000 0.235 160 G C -0.211 174.723 174.900 0.058 0.000 1.018 160 G CA 0.139 45.266 45.100 0.044 0.000 0.728 160 G HN 0.391 nan 8.290 nan 0.000 0.508 161 D N 0.011 120.461 120.400 0.082 0.000 2.339 161 D HA 0.445 5.086 4.640 0.001 0.000 0.245 161 D C 0.076 176.423 176.300 0.078 0.000 1.115 161 D CA 0.115 54.174 54.000 0.099 0.000 0.917 161 D CB 1.113 42.007 40.800 0.157 0.000 1.192 161 D HN 0.222 nan 8.370 nan 0.000 0.428 162 D N 0.593 121.034 120.400 0.067 0.000 2.460 162 D HA 0.176 4.817 4.640 0.001 0.000 0.268 162 D C 1.452 177.769 176.300 0.027 0.000 1.153 162 D CA -0.302 53.725 54.000 0.045 0.000 0.929 162 D CB 0.088 40.911 40.800 0.039 0.000 1.015 162 D HN 0.353 nan 8.370 nan 0.000 0.502 163 I N -0.794 119.784 120.570 0.013 0.000 2.567 163 I HA -0.093 4.078 4.170 0.001 0.000 0.257 163 I C 1.375 177.425 176.117 -0.112 0.000 1.184 163 I CA 0.870 62.139 61.300 -0.052 0.000 1.451 163 I CB 0.040 37.996 38.000 -0.074 0.000 1.089 163 I HN 0.105 nan 8.210 nan 0.000 0.441 164 E N 2.063 122.222 120.200 -0.068 0.000 2.031 164 E HA -0.153 4.198 4.350 0.001 0.000 0.193 164 E C 2.386 178.987 176.600 0.002 0.000 0.994 164 E CA 2.089 58.462 56.400 -0.044 0.000 0.800 164 E CB -0.271 29.480 29.700 0.085 0.000 0.752 164 E HN 0.575 nan 8.360 nan 0.000 0.447 165 S N 0.158 115.872 115.700 0.024 0.000 2.370 165 S HA -0.165 4.306 4.470 0.001 0.000 0.226 165 S C 2.202 176.803 174.600 0.002 0.000 1.033 165 S CA 1.292 59.511 58.200 0.031 0.000 1.011 165 S CB -0.471 62.747 63.200 0.029 0.000 0.852 165 S HN 0.050 nan 8.310 nan 0.000 0.457 166 V N 1.872 121.769 119.914 -0.028 0.000 2.343 166 V HA -0.157 3.963 4.120 0.001 0.000 0.247 166 V C 2.518 178.560 176.094 -0.086 0.000 1.051 166 V CA 1.928 64.197 62.300 -0.052 0.000 1.036 166 V CB -1.003 30.780 31.823 -0.067 0.000 0.654 166 V HN 0.440 nan 8.190 nan 0.000 0.451 167 S N -0.436 115.179 115.700 -0.142 0.000 2.368 167 S HA -0.195 4.276 4.470 0.001 0.000 0.224 167 S C 1.994 176.542 174.600 -0.086 0.000 1.029 167 S CA 1.534 59.610 58.200 -0.207 0.000 0.988 167 S CB -0.232 62.700 63.200 -0.446 0.000 0.838 167 S HN 0.602 nan 8.310 nan 0.000 0.462 168 K N 0.695 121.104 120.400 0.015 0.000 2.026 168 K HA -0.042 4.279 4.320 0.001 0.000 0.208 168 K C 2.091 178.730 176.600 0.065 0.000 1.048 168 K CA 1.269 57.634 56.287 0.130 0.000 0.929 168 K CB -0.466 32.137 32.500 0.172 0.000 0.713 168 K HN 0.130 nan 8.250 nan 0.000 0.439 169 V N 1.997 121.930 119.914 0.031 0.000 2.261 169 V HA -0.244 3.877 4.120 0.001 0.000 0.246 169 V C 2.175 178.271 176.094 0.003 0.000 1.047 169 V CA 1.654 63.965 62.300 0.017 0.000 1.015 169 V CB -0.345 31.483 31.823 0.008 0.000 0.642 169 V HN 0.243 nan 8.190 nan 0.000 0.446 170 K N 0.563 120.952 120.400 -0.018 0.000 2.097 170 K HA -0.058 4.263 4.320 0.001 0.000 0.205 170 K C 2.252 178.837 176.600 -0.026 0.000 1.050 170 K CA 1.446 57.715 56.287 -0.031 0.000 0.938 170 K CB -1.102 31.363 32.500 -0.059 0.000 0.718 170 K HN 0.535 nan 8.250 nan 0.000 0.442 171 G N 1.266 110.054 108.800 -0.020 0.000 2.440 171 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 171 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 171 G C 1.700 176.614 174.900 0.022 0.000 1.154 171 G CA 1.237 46.338 45.100 0.001 0.000 0.767 171 G HN 0.385 nan 8.290 nan 0.000 0.552 172 A N 0.423 123.262 122.820 0.031 0.000 1.929 172 A HA 0.053 4.374 4.320 0.001 0.000 0.216 172 A C 2.142 179.737 177.584 0.018 0.000 1.176 172 A CA 1.873 53.929 52.037 0.031 0.000 0.628 172 A CB -0.392 18.630 19.000 0.036 0.000 0.816 172 A HN 0.468 nan 8.150 nan 0.000 0.444 173 E N -0.048 120.158 120.200 0.010 0.000 2.051 173 E HA -0.131 4.220 4.350 0.001 0.000 0.192 173 E C 1.429 178.030 176.600 0.001 0.000 0.991 173 E CA 1.181 57.583 56.400 0.004 0.000 0.799 173 E CB -0.138 29.561 29.700 -0.002 0.000 0.748 173 E HN 0.613 nan 8.360 nan 0.000 0.449 174 L N 0.280 121.501 121.223 -0.004 0.000 2.607 174 L HA 0.157 4.498 4.340 0.001 0.000 0.228 174 L C 0.488 177.358 176.870 -0.001 0.000 1.123 174 L CA -0.093 54.743 54.840 -0.007 0.000 0.890 174 L CB 0.347 42.394 42.059 -0.020 0.000 1.103 174 L HN -0.041 nan 8.230 nan 0.000 0.468 175 S N 0.421 116.125 115.700 0.008 0.000 3.581 175 S HA -0.154 4.317 4.470 0.001 0.000 0.354 175 S C 0.303 174.911 174.600 0.013 0.000 1.059 175 S CA 0.976 59.185 58.200 0.015 0.000 1.060 175 S CB -1.183 62.026 63.200 0.016 0.000 0.908 175 S HN 0.361 nan 8.310 nan 0.000 0.475 176 K N 1.232 121.635 120.400 0.005 0.000 2.259 176 K HA 0.419 4.739 4.320 0.001 0.000 0.249 176 K C 0.026 176.629 176.600 0.005 0.000 0.942 176 K CA -0.449 55.834 56.287 -0.006 0.000 0.816 176 K CB 1.527 34.006 32.500 -0.035 0.000 1.155 176 K HN 0.152 nan 8.250 nan 0.000 0.428 177 T N 3.559 118.119 114.554 0.009 0.000 2.738 177 T HA 0.337 4.688 4.350 0.001 0.000 0.293 177 T C 0.448 175.123 174.700 -0.041 0.000 0.913 177 T CA -0.046 62.072 62.100 0.031 0.000 1.103 177 T CB -0.199 68.705 68.868 0.059 0.000 0.880 177 T HN 0.279 nan 8.240 nan 0.000 0.526 178 I N 3.652 124.177 120.570 -0.074 0.000 2.410 178 I HA 0.340 4.511 4.170 0.001 0.000 0.286 178 I C -0.438 175.453 176.117 -0.378 0.000 1.009 178 I CA -1.067 60.106 61.300 -0.211 0.000 1.111 178 I CB 1.860 39.734 38.000 -0.209 0.000 1.262 178 I HN 0.256 nan 8.210 nan 0.000 0.443 179 V N 8.384 128.017 119.914 -0.468 0.000 2.311 179 V HA 0.300 4.421 4.120 0.001 0.000 0.275 179 V C -2.148 173.470 176.094 -0.794 0.000 1.022 179 V CA -1.693 60.186 62.300 -0.702 0.000 0.830 179 V CB 1.216 32.691 31.823 -0.581 0.000 1.012 179 V HN 0.546 nan 8.190 nan 0.000 0.452 180 P HA 0.295 nan 4.420 nan 0.000 0.282 180 P C -0.861 176.148 177.300 -0.486 0.000 1.262 180 P CA -0.157 62.559 63.100 -0.639 0.000 0.773 180 P CB 1.601 32.946 31.700 -0.591 0.000 0.879 181 V N 5.622 125.317 119.914 -0.366 0.000 2.409 181 V HA 0.309 4.430 4.120 0.001 0.000 0.290 181 V C 0.718 176.716 176.094 -0.160 0.000 1.017 181 V CA -0.651 61.494 62.300 -0.259 0.000 0.841 181 V CB 1.635 33.237 31.823 -0.368 0.000 1.003 181 V HN 0.362 nan 8.190 nan 0.000 0.426 182 R N 2.938 123.375 120.500 -0.105 0.000 4.138 182 R HA 0.168 4.508 4.340 0.001 0.000 0.206 182 R C 0.667 176.892 176.300 -0.126 0.000 1.667 182 R CA -0.131 55.912 56.100 -0.094 0.000 1.481 182 R CB -0.120 30.144 30.300 -0.059 0.000 1.388 182 R HN 0.938 nan 8.270 nan 0.000 0.776 183 C N -1.473 117.752 119.300 -0.125 0.000 2.492 183 C HA 0.339 4.800 4.460 0.001 0.000 0.317 183 C C 0.177 175.072 174.990 -0.159 0.000 1.347 183 C CA -1.083 57.859 59.018 -0.127 0.000 1.759 183 C CB -1.214 26.475 27.740 -0.085 0.000 2.127 183 C HN 0.380 nan 8.230 nan 0.000 0.579 184 E N 1.126 121.152 120.200 -0.290 0.000 2.502 184 E HA 0.316 4.667 4.350 0.001 0.000 0.261 184 E C 1.565 177.876 176.600 -0.483 0.000 0.974 184 E CA 1.030 57.168 56.400 -0.437 0.000 0.936 184 E CB 0.500 29.725 29.700 -0.793 0.000 0.926 184 E HN 0.574 nan 8.360 nan 0.000 0.459 185 G N 2.427 111.068 108.800 -0.264 0.000 2.448 185 G HA2 -0.270 3.691 3.960 0.001 0.000 0.219 185 G HA3 -0.270 3.691 3.960 0.001 0.000 0.219 185 G C 1.102 175.938 174.900 -0.106 0.000 1.127 185 G CA 0.856 45.878 45.100 -0.131 0.000 0.766 185 G HN 0.650 nan 8.290 nan 0.000 0.552 186 F N 0.851 120.789 119.950 -0.020 0.000 2.407 186 F HA 0.344 4.872 4.527 0.002 0.000 0.299 186 F C 1.269 177.059 175.800 -0.017 0.000 1.097 186 F CA -0.806 57.183 58.000 -0.019 0.000 1.422 186 F CB -0.319 38.667 39.000 -0.022 0.000 1.067 186 F HN -0.132 nan 8.300 nan 0.000 0.539 187 R N 1.562 121.846 120.500 -0.360 0.000 2.543 187 R HA 0.419 4.760 4.340 0.001 0.000 0.277 187 R C 1.006 177.256 176.300 -0.084 0.000 1.074 187 R CA 0.392 56.384 56.100 -0.180 0.000 1.076 187 R CB 0.040 30.149 30.300 -0.319 0.000 0.993 187 R HN 0.531 nan 8.270 nan 0.000 0.459 188 G N 0.413 109.197 108.800 -0.027 0.000 2.601 188 G HA2 -0.307 3.654 3.960 0.001 0.000 0.252 188 G HA3 -0.307 3.654 3.960 0.001 0.000 0.252 188 G C 0.336 175.242 174.900 0.010 0.000 1.294 188 G CA -0.060 45.031 45.100 -0.015 0.000 0.912 188 G HN 0.814 nan 8.290 nan 0.000 0.574 189 V N -3.401 116.521 119.914 0.013 0.000 3.398 189 V HA 0.721 4.842 4.120 0.001 0.000 0.298 189 V C 0.556 176.675 176.094 0.042 0.000 1.496 189 V CA 1.609 63.929 62.300 0.033 0.000 1.044 189 V CB -0.287 31.562 31.823 0.044 0.000 0.880 189 V HN 2.633 nan 8.190 nan 0.000 0.443 190 S N -0.987 114.717 115.700 0.007 0.000 2.654 190 S HA 0.305 4.775 4.470 0.001 0.000 0.267 190 S C 0.121 174.620 174.600 -0.167 0.000 1.151 190 S CA -0.006 58.190 58.200 -0.006 0.000 0.873 190 S CB 1.259 64.530 63.200 0.117 0.000 1.181 190 S HN 0.053 nan 8.310 nan 0.000 0.489 191 Q N 0.946 120.539 119.800 -0.344 0.000 2.297 191 Q HA 0.001 4.342 4.340 0.001 0.000 0.208 191 Q C 2.065 177.527 176.000 -0.897 0.000 0.981 191 Q CA 1.773 57.189 55.803 -0.646 0.000 0.876 191 Q CB -0.479 27.703 28.738 -0.926 0.000 0.921 191 Q HN 0.624 nan 8.270 nan 0.000 0.446 192 S N -0.101 115.212 115.700 -0.646 0.000 2.356 192 S HA -0.119 4.352 4.470 0.001 0.000 0.223 192 S C 1.622 176.113 174.600 -0.182 0.000 1.032 192 S CA 0.856 58.838 58.200 -0.362 0.000 1.005 192 S CB -0.190 63.139 63.200 0.214 0.000 0.867 192 S HN 0.377 nan 8.310 nan 0.000 0.449 193 L N 1.752 122.910 121.223 -0.110 0.000 2.131 193 L HA 0.116 4.457 4.340 0.001 0.000 0.210 193 L C 2.247 179.046 176.870 -0.118 0.000 1.092 193 L CA 1.869 56.671 54.840 -0.063 0.000 0.759 193 L CB -1.314 40.707 42.059 -0.064 0.000 0.903 193 L HN 0.372 nan 8.230 nan 0.000 0.435 194 G N -1.505 107.166 108.800 -0.215 0.000 2.440 194 G HA2 -0.322 3.639 3.960 0.001 0.000 0.218 194 G HA3 -0.322 3.639 3.960 0.001 0.000 0.218 194 G C 1.346 176.210 174.900 -0.061 0.000 1.154 194 G CA 1.224 46.218 45.100 -0.177 0.000 0.767 194 G HN 0.613 nan 8.290 nan 0.000 0.552 195 H N -1.271 117.779 119.070 -0.034 0.000 2.289 195 H HA -0.144 4.413 4.556 0.001 0.000 0.296 195 H C 2.523 177.882 175.328 0.052 0.000 1.091 195 H CA 1.237 57.309 56.048 0.038 0.000 1.274 195 H CB -0.150 29.679 29.762 0.111 0.000 1.364 195 H HN 0.279 nan 8.280 nan 0.000 0.490 196 H N 1.088 120.077 119.070 -0.135 0.000 2.267 196 H HA -0.130 4.427 4.556 0.001 0.000 0.297 196 H C 2.363 177.536 175.328 -0.257 0.000 1.080 196 H CA 1.848 57.517 56.048 -0.630 0.000 1.278 196 H CB -0.424 28.875 29.762 -0.772 0.000 1.365 196 H HN 0.290 nan 8.280 nan 0.000 0.489 197 I N 0.330 120.897 120.570 -0.005 0.000 2.194 197 I HA -0.325 3.846 4.170 0.001 0.000 0.246 197 I C 2.838 179.029 176.117 0.124 0.000 1.093 197 I CA 1.348 62.648 61.300 -0.001 0.000 1.355 197 I CB -0.423 37.551 38.000 -0.043 0.000 1.046 197 I HN 0.280 nan 8.210 nan 0.000 0.413 198 A N 0.335 123.267 122.820 0.187 0.000 1.930 198 A HA -0.199 4.122 4.320 0.001 0.000 0.217 198 A C 2.103 179.859 177.584 0.287 0.000 1.175 198 A CA 1.729 53.997 52.037 0.385 0.000 0.627 198 A CB -0.838 18.363 19.000 0.335 0.000 0.815 198 A HN 0.482 nan 8.150 nan 0.000 0.443 199 N N -0.130 118.681 118.700 0.185 0.000 2.120 199 N HA -0.162 4.579 4.740 0.001 0.000 0.188 199 N C 0.879 176.485 175.510 0.161 0.000 1.024 199 N CA 1.556 54.706 53.050 0.167 0.000 0.852 199 N CB -0.226 38.387 38.487 0.209 0.000 1.003 199 N HN 0.396 nan 8.380 nan 0.000 0.424 200 D N 0.782 121.276 120.400 0.156 0.000 2.219 200 D HA -0.034 4.606 4.640 0.001 0.000 0.205 200 D C 1.819 178.235 176.300 0.193 0.000 0.970 200 D CA 0.471 54.541 54.000 0.116 0.000 0.851 200 D CB -0.220 40.625 40.800 0.075 0.000 0.943 200 D HN 0.233 nan 8.370 nan 0.000 0.488 201 A N 0.373 123.374 122.820 0.301 0.000 1.898 201 A HA -0.127 4.194 4.320 0.001 0.000 0.216 201 A C 2.429 180.356 177.584 0.571 0.000 1.181 201 A CA 1.112 53.425 52.037 0.460 0.000 0.620 201 A CB -0.720 18.555 19.000 0.458 0.000 0.819 201 A HN 0.142 nan 8.150 nan 0.000 0.442 202 V N 0.428 120.633 119.914 0.485 0.000 2.343 202 V HA -0.247 3.874 4.120 0.001 0.000 0.247 202 V C 2.704 178.931 176.094 0.222 0.000 1.051 202 V CA 2.176 64.654 62.300 0.296 0.000 1.036 202 V CB -0.856 30.977 31.823 0.015 0.000 0.654 202 V HN 0.624 nan 8.190 nan 0.000 0.451 203 R N 0.289 120.870 120.500 0.136 0.000 2.073 203 R HA -0.191 4.150 4.340 0.001 0.000 0.234 203 R C 1.936 178.231 176.300 -0.009 0.000 1.134 203 R CA 2.253 58.337 56.100 -0.026 0.000 0.952 203 R CB -0.513 29.631 30.300 -0.260 0.000 0.850 203 R HN 0.510 nan 8.270 nan 0.000 0.433 204 D N -1.444 118.962 120.400 0.010 0.000 2.194 204 D HA -0.118 4.523 4.640 0.001 0.000 0.204 204 D C 1.237 177.317 176.300 -0.367 0.000 0.964 204 D CA 1.025 54.901 54.000 -0.207 0.000 0.846 204 D CB -0.081 40.560 40.800 -0.265 0.000 0.962 204 D HN 0.369 nan 8.370 nan 0.000 0.490 205 W N -0.509 120.838 121.300 0.078 0.000 2.868 205 W HA 0.194 4.855 4.660 0.001 0.000 0.320 205 W C 1.597 178.169 176.519 0.088 0.000 1.076 205 W CA -0.117 57.270 57.345 0.070 0.000 1.576 205 W CB 0.638 30.129 29.460 0.051 0.000 1.030 205 W HN -0.255 nan 8.180 nan 0.000 0.558 206 V N -0.976 119.110 119.914 0.287 0.000 3.177 206 V HA -0.001 4.120 4.120 0.001 0.000 0.219 206 V C 1.481 177.658 176.094 0.138 0.000 1.344 206 V CA 0.214 62.636 62.300 0.205 0.000 1.324 206 V CB -0.583 31.366 31.823 0.211 0.000 1.165 206 V HN -0.122 nan 8.190 nan 0.000 0.510 207 L N 2.051 123.368 121.223 0.157 0.000 2.191 207 L HA 0.076 4.417 4.340 0.001 0.000 0.212 207 L C 1.909 178.900 176.870 0.203 0.000 1.103 207 L CA 2.410 57.364 54.840 0.190 0.000 0.769 207 L CB -0.814 41.420 42.059 0.293 0.000 0.908 207 L HN 0.355 nan 8.230 nan 0.000 0.438 208 G N -1.711 107.204 108.800 0.192 0.000 3.141 208 G HA2 -0.089 3.872 3.960 0.001 0.000 0.218 208 G HA3 -0.089 3.872 3.960 0.001 0.000 0.218 208 G C 1.495 176.470 174.900 0.124 0.000 1.170 208 G CA 0.120 45.339 45.100 0.199 0.000 0.769 208 G HN 0.343 nan 8.290 nan 0.000 0.546 209 K N 0.705 121.162 120.400 0.096 0.000 2.097 209 K HA -0.018 4.303 4.320 0.001 0.000 0.205 209 K C 1.661 178.297 176.600 0.061 0.000 1.050 209 K CA 0.635 56.965 56.287 0.071 0.000 0.938 209 K CB 0.073 32.612 32.500 0.065 0.000 0.718 209 K HN 0.094 nan 8.250 nan 0.000 0.442 210 R N 0.657 121.189 120.500 0.053 0.000 2.552 210 R HA 0.061 4.401 4.340 0.001 0.000 0.314 210 R C 0.302 176.634 176.300 0.053 0.000 1.041 210 R CA 0.005 56.128 56.100 0.039 0.000 1.076 210 R CB 0.314 30.618 30.300 0.006 0.000 1.290 210 R HN 0.198 nan 8.270 nan 0.000 0.563 211 D N 2.460 122.917 120.400 0.095 0.000 2.133 211 D HA -0.227 4.414 4.640 0.001 0.000 0.195 211 D C 1.772 178.135 176.300 0.105 0.000 0.997 211 D CA 1.832 55.918 54.000 0.144 0.000 0.840 211 D CB 0.196 41.099 40.800 0.172 0.000 0.947 211 D HN 0.585 nan 8.370 nan 0.000 0.452 212 E N 0.140 120.387 120.200 0.078 0.000 2.299 212 E HA -0.073 4.277 4.350 0.001 0.000 0.193 212 E C 0.376 177.012 176.600 0.060 0.000 0.998 212 E CA 0.134 56.572 56.400 0.063 0.000 0.851 212 E CB 0.061 29.792 29.700 0.051 0.000 0.795 212 E HN -0.048 nan 8.360 nan 0.000 0.492 213 D N 1.773 122.208 120.400 0.060 0.000 2.343 213 D HA 0.008 4.649 4.640 0.001 0.000 0.255 213 D C 0.156 176.502 176.300 0.077 0.000 1.187 213 D CA 0.326 54.363 54.000 0.062 0.000 0.875 213 D CB 1.477 42.312 40.800 0.059 0.000 1.136 213 D HN 0.220 nan 8.370 nan 0.000 0.469 214 T N -1.031 113.569 114.554 0.077 0.000 3.182 214 T HA 0.019 4.370 4.350 0.001 0.000 0.277 214 T C 1.446 176.202 174.700 0.092 0.000 1.013 214 T CA 0.072 62.224 62.100 0.087 0.000 0.900 214 T CB -0.090 68.816 68.868 0.064 0.000 1.098 214 T HN 0.310 nan 8.240 nan 0.000 0.543 215 T N -0.581 114.034 114.554 0.101 0.000 2.951 215 T HA 0.123 4.474 4.350 0.001 0.000 0.268 215 T C 0.458 175.226 174.700 0.113 0.000 1.073 215 T CA -0.198 61.955 62.100 0.088 0.000 1.134 215 T CB -0.776 68.141 68.868 0.082 0.000 0.884 215 T HN 0.407 nan 8.240 nan 0.000 0.479 216 F N 3.469 123.429 119.950 0.016 0.000 2.533 216 F HA 0.490 5.017 4.527 0.001 0.000 0.378 216 F C 0.558 176.367 175.800 0.015 0.000 1.070 216 F CA -1.768 56.242 58.000 0.017 0.000 1.172 216 F CB -0.129 38.881 39.000 0.016 0.000 1.085 216 F HN 0.240 nan 8.300 nan 0.000 0.552 217 A N 5.906 128.377 122.820 -0.583 0.000 2.395 217 A HA 0.436 4.757 4.320 0.001 0.000 0.286 217 A C 0.089 177.254 177.584 -0.697 0.000 1.193 217 A CA -0.031 51.728 52.037 -0.463 0.000 0.852 217 A CB -0.666 18.150 19.000 -0.307 0.000 1.118 217 A HN 0.852 nan 8.150 nan 0.000 0.524 218 S N 2.313 117.822 115.700 -0.318 0.000 2.610 218 S HA 0.701 5.172 4.470 0.001 0.000 0.273 218 S C 0.285 174.831 174.600 -0.090 0.000 1.274 218 S CA 0.106 58.233 58.200 -0.122 0.000 1.023 218 S CB 1.194 64.447 63.200 0.088 0.000 0.962 218 S HN 1.277 nan 8.310 nan 0.000 0.523 219 T N -2.288 112.249 114.554 -0.029 0.000 2.924 219 T HA 0.584 4.935 4.350 0.001 0.000 0.291 219 T C -2.362 172.293 174.700 -0.075 0.000 1.045 219 T CA -2.109 59.963 62.100 -0.046 0.000 1.015 219 T CB 1.565 70.439 68.868 0.009 0.000 1.103 219 T HN 0.386 nan 8.240 nan 0.000 0.496 220 P HA -0.009 nan 4.420 nan 0.000 0.230 220 P C 0.026 177.174 177.300 -0.252 0.000 1.158 220 P CA 0.757 63.653 63.100 -0.341 0.000 0.769 220 P CB -0.205 31.133 31.700 -0.603 0.000 0.807 221 Y N -0.431 119.940 120.300 0.119 0.000 2.658 221 Y HA 0.270 4.821 4.550 0.001 0.000 0.276 221 Y C 0.387 176.293 175.900 0.011 0.000 1.167 221 Y CA -1.363 56.724 58.100 -0.021 0.000 1.230 221 Y CB -0.628 37.733 38.460 -0.165 0.000 1.144 221 Y HN -0.145 nan 8.280 nan 0.000 0.529 222 D N 0.600 121.126 120.400 0.209 0.000 2.350 222 D HA 0.347 4.987 4.640 0.001 0.000 0.249 222 D C -0.353 176.064 176.300 0.195 0.000 1.119 222 D CA 0.311 54.425 54.000 0.189 0.000 0.886 222 D CB 2.233 43.156 40.800 0.205 0.000 1.195 222 D HN -0.010 nan 8.370 nan 0.000 0.437 223 V N 0.419 120.416 119.914 0.138 0.000 3.188 223 V HA 0.799 4.919 4.120 0.001 0.000 0.305 223 V C -1.534 174.594 176.094 0.057 0.000 1.232 223 V CA -0.675 61.691 62.300 0.110 0.000 1.043 223 V CB 2.269 34.146 31.823 0.091 0.000 1.068 223 V HN 0.665 nan 8.190 nan 0.000 0.439 224 A N 4.007 126.836 122.820 0.014 0.000 2.398 224 A HA 0.809 5.129 4.320 0.001 0.000 0.301 224 A C -1.072 176.480 177.584 -0.052 0.000 1.041 224 A CA -0.496 51.534 52.037 -0.012 0.000 0.711 224 A CB 1.200 20.156 19.000 -0.073 0.000 1.240 224 A HN 0.720 nan 8.150 nan 0.000 0.420 225 I N 4.008 124.569 120.570 -0.015 0.000 2.308 225 I HA 0.176 4.347 4.170 0.001 0.000 0.293 225 I C -0.570 175.522 176.117 -0.042 0.000 1.078 225 I CA -0.151 61.139 61.300 -0.016 0.000 1.292 225 I CB 0.393 38.392 38.000 -0.002 0.000 1.423 225 I HN 0.375 nan 8.210 nan 0.000 0.493 226 I N 5.682 126.190 120.570 -0.102 0.000 2.321 226 I HA 0.322 4.492 4.170 0.001 0.000 0.291 226 I C 1.070 177.092 176.117 -0.159 0.000 0.998 226 I CA -0.475 60.685 61.300 -0.233 0.000 1.227 226 I CB 0.597 38.355 38.000 -0.402 0.000 1.368 226 I HN 0.856 nan 8.210 nan 0.000 0.466 227 G N 4.469 113.130 108.800 -0.232 0.000 2.212 227 G HA2 -0.194 3.767 3.960 0.001 0.000 0.255 227 G HA3 -0.194 3.767 3.960 0.001 0.000 0.255 227 G C -0.246 174.440 174.900 -0.356 0.000 1.062 227 G CA -0.228 44.669 45.100 -0.338 0.000 0.815 227 G HN 0.654 nan 8.290 nan 0.000 0.497 228 D N -0.689 119.439 120.400 -0.455 0.000 2.425 228 D HA 0.517 5.157 4.640 0.001 0.000 0.240 228 D C 0.494 176.509 176.300 -0.474 0.000 1.080 228 D CA -0.748 53.081 54.000 -0.286 0.000 0.836 228 D CB 0.711 41.435 40.800 -0.126 0.000 1.125 228 D HN 0.162 nan 8.370 nan 0.000 0.525 229 Y N 2.324 122.597 120.300 -0.045 0.000 2.493 229 Y HA 0.130 4.680 4.550 0.001 0.000 0.275 229 Y C 1.098 176.907 175.900 -0.152 0.000 1.183 229 Y CA -0.492 57.557 58.100 -0.085 0.000 1.258 229 Y CB -0.233 38.179 38.460 -0.079 0.000 1.108 229 Y HN 0.399 nan 8.280 nan 0.000 0.521 230 N N 0.896 119.509 118.700 -0.146 0.000 2.738 230 N HA -0.178 4.563 4.740 0.001 0.000 0.249 230 N C -1.109 174.209 175.510 -0.321 0.000 1.047 230 N CA 0.161 53.023 53.050 -0.314 0.000 0.707 230 N CB -1.055 37.152 38.487 -0.467 0.000 0.937 230 N HN 0.119 nan 8.380 nan 0.000 0.545 231 I N 0.566 120.973 120.570 -0.272 0.000 2.483 231 I HA 0.213 4.384 4.170 0.001 0.000 0.291 231 I C 1.910 177.810 176.117 -0.362 0.000 1.112 231 I CA 1.225 62.317 61.300 -0.346 0.000 1.350 231 I CB -0.464 37.275 38.000 -0.435 0.000 1.419 231 I HN 0.534 nan 8.210 nan 0.000 0.523 232 G N 5.215 113.563 108.800 -0.753 0.000 2.168 232 G HA2 -0.175 3.785 3.960 0.001 0.000 0.257 232 G HA3 -0.175 3.785 3.960 0.001 0.000 0.257 232 G C 0.990 175.682 174.900 -0.346 0.000 0.997 232 G CA 0.534 45.172 45.100 -0.770 0.000 0.708 232 G HN 1.565 nan 8.290 nan 0.000 0.520 233 G N -1.183 107.404 108.800 -0.355 0.000 2.176 233 G HA2 -0.227 3.734 3.960 0.001 0.000 0.232 233 G HA3 -0.227 3.734 3.960 0.001 0.000 0.232 233 G C 0.819 175.648 174.900 -0.118 0.000 0.986 233 G CA 0.810 45.829 45.100 -0.136 0.000 0.643 233 G HN 0.591 nan 8.290 nan 0.000 0.522 234 D N 0.778 121.057 120.400 -0.202 0.000 2.170 234 D HA -0.139 4.502 4.640 0.001 0.000 0.193 234 D C 2.617 178.854 176.300 -0.105 0.000 1.004 234 D CA 2.165 56.006 54.000 -0.266 0.000 0.860 234 D CB -0.483 39.868 40.800 -0.747 0.000 0.931 234 D HN 0.830 nan 8.370 nan 0.000 0.448 235 A N 0.175 122.883 122.820 -0.186 0.000 1.929 235 A HA -0.136 4.185 4.320 0.001 0.000 0.216 235 A C 2.015 179.650 177.584 0.085 0.000 1.176 235 A CA 0.844 52.829 52.037 -0.087 0.000 0.628 235 A CB -0.829 18.049 19.000 -0.202 0.000 0.816 235 A HN 0.240 nan 8.150 nan 0.000 0.444 236 W N 0.522 121.871 121.300 0.082 0.000 2.388 236 W HA -0.016 4.646 4.660 0.002 0.000 0.294 236 W C 2.465 179.039 176.519 0.093 0.000 1.212 236 W CA 0.881 58.280 57.345 0.089 0.000 1.271 236 W CB -1.443 28.078 29.460 0.101 0.000 1.126 236 W HN 0.322 nan 8.180 nan 0.000 0.535 237 S N 0.094 115.975 115.700 0.302 0.000 2.423 237 S HA -0.117 4.354 4.470 0.001 0.000 0.231 237 S C 1.968 176.678 174.600 0.183 0.000 1.014 237 S CA 1.545 59.869 58.200 0.206 0.000 0.965 237 S CB -0.140 63.157 63.200 0.162 0.000 0.785 237 S HN 0.124 nan 8.310 nan 0.000 0.495 238 S N 1.074 116.914 115.700 0.234 0.000 2.387 238 S HA 0.048 4.519 4.470 0.001 0.000 0.221 238 S C 1.853 176.596 174.600 0.237 0.000 1.041 238 S CA 0.333 58.727 58.200 0.324 0.000 0.959 238 S CB -0.220 63.094 63.200 0.191 0.000 0.843 238 S HN 0.478 nan 8.310 nan 0.000 0.488 239 R N 1.320 121.928 120.500 0.180 0.000 2.103 239 R HA -0.068 4.273 4.340 0.001 0.000 0.242 239 R C 2.267 178.650 176.300 0.139 0.000 1.142 239 R CA 1.495 57.683 56.100 0.147 0.000 0.960 239 R CB -0.515 29.900 30.300 0.191 0.000 0.858 239 R HN 0.430 nan 8.270 nan 0.000 0.439 240 I N 0.780 121.445 120.570 0.159 0.000 2.264 240 I HA -0.302 3.868 4.170 0.001 0.000 0.248 240 I C 1.825 178.022 176.117 0.134 0.000 1.111 240 I CA 1.332 62.716 61.300 0.140 0.000 1.382 240 I CB 0.056 38.150 38.000 0.157 0.000 1.060 240 I HN 0.307 nan 8.210 nan 0.000 0.418 241 L N -0.076 121.223 121.223 0.127 0.000 2.072 241 L HA -0.185 4.156 4.340 0.001 0.000 0.205 241 L C 2.477 179.412 176.870 0.109 0.000 1.079 241 L CA 1.033 55.938 54.840 0.109 0.000 0.752 241 L CB -0.617 41.444 42.059 0.003 0.000 0.906 241 L HN 0.268 nan 8.230 nan 0.000 0.436 242 L N -0.408 120.881 121.223 0.109 0.000 2.046 242 L HA -0.184 4.157 4.340 0.001 0.000 0.208 242 L C 2.534 179.403 176.870 -0.002 0.000 1.077 242 L CA 1.323 56.184 54.840 0.036 0.000 0.747 242 L CB -0.501 41.551 42.059 -0.011 0.000 0.896 242 L HN 0.298 nan 8.230 nan 0.000 0.432 243 E N -0.071 120.145 120.200 0.027 0.000 2.158 243 E HA -0.177 4.174 4.350 0.001 0.000 0.191 243 E C 2.011 178.615 176.600 0.007 0.000 0.982 243 E CA 0.653 57.059 56.400 0.011 0.000 0.823 243 E CB 0.046 29.769 29.700 0.037 0.000 0.766 243 E HN 0.526 nan 8.360 nan 0.000 0.468 244 E N 0.694 120.921 120.200 0.045 0.000 2.110 244 E HA -0.149 4.202 4.350 0.001 0.000 0.193 244 E C 1.914 178.522 176.600 0.013 0.000 0.988 244 E CA 0.740 57.171 56.400 0.052 0.000 0.804 244 E CB -0.049 29.729 29.700 0.129 0.000 0.745 244 E HN 0.152 nan 8.360 nan 0.000 0.458 245 M N -0.881 118.720 119.600 0.002 0.000 2.630 245 M HA -0.036 4.445 4.480 0.001 0.000 0.254 245 M C 0.926 177.141 176.300 -0.141 0.000 1.092 245 M CA 1.301 56.575 55.300 -0.043 0.000 1.087 245 M CB 0.384 32.968 32.600 -0.027 0.000 1.453 245 M HN 0.275 nan 8.290 nan 0.000 0.509 246 G N 0.228 108.934 108.800 -0.157 0.000 2.201 246 G HA2 -0.182 3.779 3.960 0.001 0.000 0.212 246 G HA3 -0.182 3.779 3.960 0.001 0.000 0.212 246 G C 0.009 174.729 174.900 -0.300 0.000 0.994 246 G CA -0.101 44.842 45.100 -0.261 0.000 0.644 246 G HN 0.402 nan 8.290 nan 0.000 0.508 247 L N 0.079 121.161 121.223 -0.235 0.000 2.456 247 L HA 0.622 4.963 4.340 0.001 0.000 0.257 247 L C 1.044 177.882 176.870 -0.054 0.000 1.162 247 L CA -0.721 54.005 54.840 -0.189 0.000 0.808 247 L CB 0.919 42.842 42.059 -0.227 0.000 1.136 247 L HN 0.176 nan 8.230 nan 0.000 0.466 248 R N 0.776 121.284 120.500 0.014 0.000 2.310 248 R HA 0.342 4.683 4.340 0.001 0.000 0.316 248 R C -1.331 175.016 176.300 0.077 0.000 1.004 248 R CA -0.571 55.566 56.100 0.062 0.000 0.900 248 R CB 0.744 31.107 30.300 0.104 0.000 1.152 248 R HN 0.659 nan 8.270 nan 0.000 0.513 249 C N 4.959 124.298 119.300 0.065 0.000 2.492 249 C HA 0.077 4.537 4.460 0.001 0.000 0.362 249 C C 1.966 177.015 174.990 0.098 0.000 1.207 249 C CA -0.723 58.337 59.018 0.071 0.000 1.626 249 C CB -0.482 27.297 27.740 0.064 0.000 2.239 249 C HN 0.725 nan 8.230 nan 0.000 0.547 250 V N 2.681 122.658 119.914 0.105 0.000 2.548 250 V HA 0.019 4.140 4.120 0.001 0.000 0.249 250 V C 1.304 177.447 176.094 0.082 0.000 1.055 250 V CA 1.892 64.252 62.300 0.101 0.000 1.065 250 V CB -0.413 31.451 31.823 0.069 0.000 0.681 250 V HN 0.978 nan 8.190 nan 0.000 0.462 251 A N -0.783 122.106 122.820 0.115 0.000 2.549 251 A HA 0.716 5.037 4.320 0.001 0.000 0.297 251 A C -0.940 176.769 177.584 0.208 0.000 1.061 251 A CA -0.547 51.593 52.037 0.173 0.000 0.690 251 A CB 1.533 20.718 19.000 0.309 0.000 1.287 251 A HN 0.243 nan 8.150 nan 0.000 0.402 252 Q N 0.832 120.743 119.800 0.185 0.000 2.357 252 Q HA 0.366 4.707 4.340 0.001 0.000 0.266 252 Q C -1.911 174.173 176.000 0.141 0.000 1.021 252 Q CA -0.112 55.781 55.803 0.150 0.000 0.784 252 Q CB 1.768 30.558 28.738 0.087 0.000 1.243 252 Q HN 0.669 nan 8.270 nan 0.000 0.465 253 W N 1.900 123.088 121.300 -0.186 0.000 2.278 253 W HA 0.249 4.910 4.660 0.001 0.000 0.317 253 W C 0.543 176.777 176.519 -0.475 0.000 1.030 253 W CA -0.595 56.596 57.345 -0.256 0.000 1.334 253 W CB 1.216 30.535 29.460 -0.235 0.000 1.215 253 W HN 0.595 nan 8.180 nan 0.000 0.405 254 S N 0.870 116.381 115.700 -0.314 0.000 2.701 254 S HA 0.267 4.738 4.470 0.001 0.000 0.242 254 S C 0.818 175.375 174.600 -0.072 0.000 1.025 254 S CA -0.386 57.723 58.200 -0.153 0.000 1.016 254 S CB 0.074 63.193 63.200 -0.134 0.000 0.977 254 S HN 0.448 nan 8.310 nan 0.000 0.546 255 G N 1.700 110.441 108.800 -0.099 0.000 2.254 255 G HA2 0.304 4.265 3.960 0.001 0.000 0.253 255 G HA3 0.304 4.265 3.960 0.001 0.000 0.253 255 G C 0.191 175.076 174.900 -0.025 0.000 1.246 255 G CA 0.437 45.506 45.100 -0.053 0.000 0.946 255 G HN 0.350 nan 8.290 nan 0.000 0.474 256 D N 0.200 120.642 120.400 0.070 0.000 2.882 256 D HA -0.132 4.508 4.640 0.001 0.000 0.229 256 D C 1.009 177.406 176.300 0.162 0.000 1.167 256 D CA 1.624 55.758 54.000 0.222 0.000 0.759 256 D CB -1.091 39.943 40.800 0.390 0.000 1.088 256 D HN 0.809 nan 8.370 nan 0.000 0.425 257 G N -0.288 108.547 108.800 0.059 0.000 2.395 257 G HA2 0.517 4.477 3.960 0.001 0.000 0.283 257 G HA3 0.517 4.477 3.960 0.001 0.000 0.283 257 G C 0.148 175.041 174.900 -0.011 0.000 1.178 257 G CA 0.142 45.234 45.100 -0.013 0.000 0.837 257 G HN 0.489 nan 8.290 nan 0.000 0.518 258 S N 1.596 117.281 115.700 -0.025 0.000 2.690 258 S HA 0.378 4.848 4.470 0.001 0.000 0.291 258 S C 1.371 175.923 174.600 -0.079 0.000 1.138 258 S CA -0.819 57.370 58.200 -0.018 0.000 1.013 258 S CB 1.732 64.939 63.200 0.013 0.000 1.053 258 S HN 0.565 nan 8.310 nan 0.000 0.539 259 I N 1.300 121.845 120.570 -0.042 0.000 2.353 259 I HA -0.167 4.003 4.170 0.001 0.000 0.248 259 I C 2.413 178.488 176.117 -0.071 0.000 1.119 259 I CA 1.726 62.991 61.300 -0.059 0.000 1.417 259 I CB -0.359 37.645 38.000 0.008 0.000 1.078 259 I HN 0.915 nan 8.210 nan 0.000 0.421 260 S N -0.004 115.673 115.700 -0.039 0.000 2.382 260 S HA -0.231 4.240 4.470 0.001 0.000 0.228 260 S C 1.783 176.340 174.600 -0.071 0.000 1.027 260 S CA 1.316 59.493 58.200 -0.038 0.000 0.991 260 S CB -0.616 62.579 63.200 -0.008 0.000 0.823 260 S HN 0.563 nan 8.310 nan 0.000 0.469 261 E N 1.126 121.283 120.200 -0.072 0.000 2.085 261 E HA -0.085 4.266 4.350 0.001 0.000 0.194 261 E C 2.027 178.573 176.600 -0.091 0.000 0.994 261 E CA 1.595 57.953 56.400 -0.070 0.000 0.801 261 E CB -0.381 29.289 29.700 -0.050 0.000 0.743 261 E HN 0.604 nan 8.360 nan 0.000 0.453 262 I N 1.023 121.452 120.570 -0.235 0.000 2.179 262 I HA -0.256 3.915 4.170 0.001 0.000 0.242 262 I C 2.119 178.189 176.117 -0.078 0.000 1.088 262 I CA 1.234 62.314 61.300 -0.366 0.000 1.357 262 I CB -0.272 37.308 38.000 -0.700 0.000 1.051 262 I HN 0.095 nan 8.210 nan 0.000 0.409 263 E N 0.361 120.510 120.200 -0.085 0.000 2.265 263 E HA -0.204 4.147 4.350 0.001 0.000 0.196 263 E C 1.876 178.425 176.600 -0.084 0.000 0.996 263 E CA 0.887 57.262 56.400 -0.042 0.000 0.832 263 E CB 0.030 29.711 29.700 -0.031 0.000 0.756 263 E HN 0.284 nan 8.360 nan 0.000 0.491 264 L N 0.243 121.385 121.223 -0.135 0.000 2.418 264 L HA -0.032 4.309 4.340 0.001 0.000 0.218 264 L C 2.103 178.834 176.870 -0.232 0.000 1.125 264 L CA 1.370 56.035 54.840 -0.291 0.000 0.835 264 L CB -0.570 41.226 42.059 -0.438 0.000 0.953 264 L HN 0.047 nan 8.230 nan 0.000 0.454 265 T N 0.472 115.002 114.554 -0.040 0.000 2.699 265 T HA -0.123 4.228 4.350 0.001 0.000 0.268 265 T C -0.570 174.061 174.700 -0.116 0.000 1.036 265 T CA 1.458 63.579 62.100 0.036 0.000 1.147 265 T CB -1.024 68.053 68.868 0.348 0.000 0.862 265 T HN 0.222 nan 8.240 nan 0.000 0.446 266 P HA 0.000 nan 4.420 nan 0.000 0.231 266 P C 1.084 178.182 177.300 -0.337 0.000 1.158 266 P CA 0.836 63.605 63.100 -0.552 0.000 0.763 266 P CB -0.035 30.951 31.700 -1.189 0.000 0.805 267 K N -0.686 119.595 120.400 -0.198 0.000 2.426 267 K HA 0.089 4.409 4.320 0.001 0.000 0.193 267 K C 1.078 177.699 176.600 0.035 0.000 1.028 267 K CA 0.190 56.444 56.287 -0.055 0.000 1.047 267 K CB -0.618 31.859 32.500 -0.039 0.000 0.821 267 K HN 0.187 nan 8.250 nan 0.000 0.513 268 V N -0.674 119.237 119.914 -0.003 0.000 3.264 268 V HA 0.208 4.329 4.120 0.001 0.000 0.304 268 V C 1.086 177.216 176.094 0.060 0.000 1.086 268 V CA -0.434 61.901 62.300 0.058 0.000 1.090 268 V CB 1.002 32.848 31.823 0.038 0.000 1.112 268 V HN -0.101 nan 8.190 nan 0.000 0.472 269 K N 0.432 120.890 120.400 0.096 0.000 2.308 269 K HA 0.414 4.735 4.320 0.001 0.000 0.197 269 K C -0.218 176.404 176.600 0.036 0.000 1.049 269 K CA 0.501 56.831 56.287 0.070 0.000 0.991 269 K CB 0.296 32.865 32.500 0.115 0.000 0.836 269 K HN 0.634 nan 8.250 nan 0.000 0.500 270 L N 0.738 122.009 121.223 0.080 0.000 2.526 270 L HA 0.318 4.659 4.340 0.001 0.000 0.263 270 L C -1.832 175.075 176.870 0.061 0.000 0.943 270 L CA -0.375 54.499 54.840 0.056 0.000 0.859 270 L CB 1.943 44.038 42.059 0.060 0.000 1.313 270 L HN -0.056 nan 8.230 nan 0.000 0.406 271 N N 4.991 123.726 118.700 0.058 0.000 2.426 271 N HA 0.537 5.278 4.740 0.001 0.000 0.257 271 N C -1.157 174.397 175.510 0.074 0.000 1.002 271 N CA -0.444 52.617 53.050 0.018 0.000 0.942 271 N CB 1.003 39.477 38.487 -0.021 0.000 1.112 271 N HN 0.498 nan 8.380 nan 0.000 0.499 272 L N 3.431 124.666 121.223 0.021 0.000 2.282 272 L HA 0.335 4.676 4.340 0.001 0.000 0.287 272 L C -0.503 176.509 176.870 0.236 0.000 1.075 272 L CA -0.788 54.090 54.840 0.062 0.000 0.839 272 L CB 0.608 42.536 42.059 -0.218 0.000 1.219 272 L HN 0.228 nan 8.230 nan 0.000 0.434 273 V N 3.165 123.262 119.914 0.304 0.000 2.385 273 V HA 0.091 4.212 4.120 0.001 0.000 0.269 273 V C 0.917 177.079 176.094 0.113 0.000 1.043 273 V CA -0.289 62.115 62.300 0.172 0.000 0.906 273 V CB 1.053 32.954 31.823 0.131 0.000 0.995 273 V HN 0.745 nan 8.190 nan 0.000 0.467 274 H N 3.072 122.022 119.070 -0.199 0.000 2.284 274 H HA 0.049 4.606 4.556 0.002 0.000 0.314 274 H C 1.165 176.333 175.328 -0.266 0.000 1.058 274 H CA 1.054 56.795 56.048 -0.512 0.000 1.394 274 H CB 0.713 30.148 29.762 -0.546 0.000 1.431 274 H HN 0.625 nan 8.280 nan 0.000 0.537 275 C N 2.623 121.851 119.300 -0.120 0.000 2.383 275 C HA 0.035 4.496 4.460 0.001 0.000 0.350 275 C C 1.692 176.588 174.990 -0.157 0.000 1.173 275 C CA -0.535 58.402 59.018 -0.135 0.000 1.645 275 C CB -2.228 25.535 27.740 0.039 0.000 2.221 275 C HN 0.602 nan 8.230 nan 0.000 0.528 276 Y N 4.840 124.966 120.300 -0.291 0.000 2.114 276 Y HA -0.108 4.443 4.550 0.001 0.000 0.284 276 Y C 2.428 178.109 175.900 -0.366 0.000 1.143 276 Y CA 2.282 60.203 58.100 -0.297 0.000 1.135 276 Y CB -0.333 37.990 38.460 -0.228 0.000 0.980 276 Y HN 0.693 nan 8.280 nan 0.000 0.499 277 R N 1.119 121.461 120.500 -0.263 0.000 2.096 277 R HA -0.185 4.156 4.340 0.001 0.000 0.240 277 R C 2.345 178.393 176.300 -0.420 0.000 1.139 277 R CA 2.468 58.374 56.100 -0.322 0.000 0.952 277 R CB -1.305 28.976 30.300 -0.032 0.000 0.854 277 R HN 0.507 nan 8.270 nan 0.000 0.436 278 S N -1.716 113.760 115.700 -0.374 0.000 2.496 278 S HA 0.079 4.550 4.470 0.001 0.000 0.224 278 S C 1.428 175.856 174.600 -0.286 0.000 0.996 278 S CA 0.706 58.626 58.200 -0.467 0.000 0.927 278 S CB 0.279 63.082 63.200 -0.662 0.000 0.774 278 S HN 0.289 nan 8.310 nan 0.000 0.524 279 M N 1.715 121.053 119.600 -0.436 0.000 2.327 279 M HA 0.246 4.727 4.480 0.001 0.000 0.365 279 M C 0.872 176.768 176.300 -0.673 0.000 0.992 279 M CA 0.236 55.296 55.300 -0.399 0.000 0.985 279 M CB -0.141 32.294 32.600 -0.275 0.000 1.673 279 M HN 0.604 nan 8.290 nan 0.000 0.586 280 N N 0.136 118.198 118.700 -1.064 0.000 2.381 280 N HA -0.172 4.569 4.740 0.001 0.000 0.182 280 N C 1.230 176.177 175.510 -0.940 0.000 1.025 280 N CA 1.495 53.815 53.050 -1.216 0.000 0.888 280 N CB -0.378 37.106 38.487 -1.672 0.000 0.965 280 N HN 0.220 nan 8.380 nan 0.000 0.438 281 Y N 0.146 120.133 120.300 -0.522 0.000 2.133 281 Y HA 0.036 4.587 4.550 0.001 0.000 0.287 281 Y C 2.192 177.943 175.900 -0.248 0.000 1.134 281 Y CA 0.290 58.161 58.100 -0.380 0.000 1.133 281 Y CB -0.713 37.490 38.460 -0.428 0.000 0.987 281 Y HN 0.103 nan 8.280 nan 0.000 0.502 282 I N -0.461 120.065 120.570 -0.073 0.000 2.493 282 I HA -0.200 3.971 4.170 0.001 0.000 0.254 282 I C 2.140 178.145 176.117 -0.186 0.000 1.160 282 I CA 1.126 62.397 61.300 -0.048 0.000 1.445 282 I CB -0.538 37.460 38.000 -0.003 0.000 1.086 282 I HN 0.051 nan 8.210 nan 0.000 0.433 283 S N 0.287 115.708 115.700 -0.465 0.000 2.368 283 S HA -0.110 4.360 4.470 0.001 0.000 0.224 283 S C 2.095 176.329 174.600 -0.611 0.000 1.029 283 S CA 1.045 58.831 58.200 -0.690 0.000 0.988 283 S CB -0.241 62.252 63.200 -1.179 0.000 0.838 283 S HN 0.441 nan 8.310 nan 0.000 0.462 284 R N 0.238 120.431 120.500 -0.513 0.000 2.092 284 R HA -0.071 4.270 4.340 0.001 0.000 0.231 284 R C 2.379 178.700 176.300 0.036 0.000 1.119 284 R CA 1.226 57.272 56.100 -0.090 0.000 0.970 284 R CB -0.483 29.805 30.300 -0.020 0.000 0.864 284 R HN 0.568 nan 8.270 nan 0.000 0.440 285 H N 0.820 119.858 119.070 -0.053 0.000 2.319 285 H HA -0.102 4.455 4.556 0.001 0.000 0.299 285 H C 1.885 177.225 175.328 0.021 0.000 1.092 285 H CA 1.766 57.812 56.048 -0.003 0.000 1.302 285 H CB 0.040 29.813 29.762 0.017 0.000 1.373 285 H HN 0.151 nan 8.280 nan 0.000 0.497 286 M N 0.310 119.875 119.600 -0.058 0.000 2.296 286 M HA -0.122 4.359 4.480 0.001 0.000 0.265 286 M C 2.380 178.709 176.300 0.049 0.000 1.064 286 M CA 1.532 56.855 55.300 0.040 0.000 1.109 286 M CB -0.063 32.606 32.600 0.115 0.000 1.396 286 M HN 0.370 nan 8.290 nan 0.000 0.430 287 E N 0.464 120.706 120.200 0.070 0.000 2.072 287 E HA -0.183 4.168 4.350 0.001 0.000 0.190 287 E C 1.820 178.428 176.600 0.013 0.000 0.982 287 E CA 1.016 57.484 56.400 0.113 0.000 0.803 287 E CB 0.265 30.119 29.700 0.257 0.000 0.755 287 E HN 0.313 nan 8.360 nan 0.000 0.453 288 E N 0.858 121.031 120.200 -0.045 0.000 2.017 288 E HA -0.193 4.158 4.350 0.001 0.000 0.193 288 E C 1.980 178.467 176.600 -0.189 0.000 0.997 288 E CA 1.154 57.499 56.400 -0.091 0.000 0.804 288 E CB -0.253 29.401 29.700 -0.077 0.000 0.757 288 E HN 0.211 nan 8.360 nan 0.000 0.448 289 K N -0.476 119.687 120.400 -0.395 0.000 2.007 289 K HA -0.105 4.216 4.320 0.001 0.000 0.206 289 K C 1.764 178.057 176.600 -0.512 0.000 1.047 289 K CA 1.123 57.059 56.287 -0.585 0.000 0.937 289 K CB -0.027 31.831 32.500 -1.070 0.000 0.718 289 K HN 0.069 nan 8.250 nan 0.000 0.438 290 Y N -0.975 119.252 120.300 -0.121 0.000 2.449 290 Y HA 0.283 4.834 4.550 0.002 0.000 0.254 290 Y C 1.203 177.082 175.900 -0.036 0.000 1.140 290 Y CA 0.200 58.265 58.100 -0.059 0.000 1.272 290 Y CB 0.994 39.427 38.460 -0.046 0.000 1.114 290 Y HN 0.333 nan 8.280 nan 0.000 0.525 291 G N 1.144 109.985 108.800 0.070 0.000 2.143 291 G HA2 -0.307 3.654 3.960 0.001 0.000 0.248 291 G HA3 -0.307 3.654 3.960 0.001 0.000 0.248 291 G C 0.049 174.984 174.900 0.059 0.000 0.991 291 G CA 0.098 45.225 45.100 0.046 0.000 0.689 291 G HN 0.331 nan 8.290 nan 0.000 0.522 292 I N 2.840 123.467 120.570 0.095 0.000 2.379 292 I HA 0.235 4.406 4.170 0.001 0.000 0.290 292 I C -1.381 174.796 176.117 0.100 0.000 1.063 292 I CA -2.053 59.294 61.300 0.079 0.000 1.351 292 I CB 0.911 38.957 38.000 0.076 0.000 1.410 292 I HN -0.049 nan 8.210 nan 0.000 0.505 293 P HA 0.072 nan 4.420 nan 0.000 0.272 293 P C -1.221 176.136 177.300 0.096 0.000 1.223 293 P CA -0.139 62.963 63.100 0.004 0.000 0.784 293 P CB 0.613 32.258 31.700 -0.092 0.000 0.923 294 W N 3.021 124.289 121.300 -0.054 0.000 2.950 294 W HA 0.686 5.347 4.660 0.001 0.000 0.340 294 W C -1.419 175.083 176.519 -0.028 0.000 1.139 294 W CA -1.413 55.901 57.345 -0.050 0.000 1.188 294 W CB 1.067 30.488 29.460 -0.066 0.000 1.426 294 W HN 0.325 nan 8.180 nan 0.000 0.531 295 M N 0.769 120.485 119.600 0.193 0.000 2.378 295 M HA 0.524 5.005 4.480 0.001 0.000 0.289 295 M C -1.277 175.180 176.300 0.261 0.000 1.136 295 M CA -0.595 54.748 55.300 0.072 0.000 0.917 295 M CB 3.185 35.782 32.600 -0.006 0.000 1.669 295 M HN 0.455 nan 8.290 nan 0.000 0.461 296 E N 2.507 122.842 120.200 0.226 0.000 2.366 296 E HA 0.438 4.789 4.350 0.001 0.000 0.266 296 E C -1.500 175.250 176.600 0.250 0.000 1.051 296 E CA -0.085 56.459 56.400 0.240 0.000 0.884 296 E CB 0.867 30.659 29.700 0.153 0.000 1.006 296 E HN 0.623 nan 8.360 nan 0.000 0.417 297 Y N 0.174 120.516 120.300 0.070 0.000 2.715 297 Y HA 0.636 5.187 4.550 0.001 0.000 0.331 297 Y C -1.231 174.715 175.900 0.078 0.000 1.197 297 Y CA -1.553 56.570 58.100 0.039 0.000 1.079 297 Y CB 1.391 39.833 38.460 -0.031 0.000 1.298 297 Y HN 0.340 nan 8.280 nan 0.000 0.477 298 N N 0.660 119.369 118.700 0.015 0.000 2.478 298 N HA 0.279 5.020 4.740 0.001 0.000 0.291 298 N C -2.092 173.544 175.510 0.209 0.000 1.090 298 N CA -0.725 52.217 53.050 -0.181 0.000 0.911 298 N CB 0.932 39.094 38.487 -0.542 0.000 1.546 298 N HN 0.659 nan 8.380 nan 0.000 0.500 299 F N 2.394 122.249 119.950 -0.159 0.000 2.791 299 F HA 0.458 4.986 4.527 0.001 0.000 0.308 299 F C -0.487 174.982 175.800 -0.552 0.000 1.138 299 F CA -0.780 56.995 58.000 -0.374 0.000 1.294 299 F CB -0.267 38.468 39.000 -0.443 0.000 0.975 299 F HN 0.336 nan 8.300 nan 0.000 0.512 300 F N 0.886 120.727 119.950 -0.182 0.000 2.335 300 F HA 0.563 5.091 4.527 0.002 0.000 0.365 300 F C 0.890 176.436 175.800 -0.424 0.000 1.122 300 F CA -0.629 57.197 58.000 -0.290 0.000 1.151 300 F CB 0.444 39.285 39.000 -0.265 0.000 1.282 300 F HN 0.200 nan 8.300 nan 0.000 0.513 301 G N 4.951 113.550 108.800 -0.334 0.000 2.730 301 G HA2 -0.154 3.807 3.960 0.001 0.000 0.686 301 G HA3 -0.154 3.807 3.960 0.001 0.000 0.686 301 G C -2.272 172.165 174.900 -0.772 0.000 1.343 301 G CA -0.834 43.888 45.100 -0.629 0.000 0.826 301 G HN 0.372 nan 8.290 nan 0.000 0.582 302 P HA -0.078 nan 4.420 nan 0.000 0.215 302 P C 1.899 178.745 177.300 -0.756 0.000 1.157 302 P CA 2.425 64.937 63.100 -0.980 0.000 0.859 302 P CB -0.160 30.523 31.700 -1.695 0.000 0.786 303 T N 0.825 114.976 114.554 -0.672 0.000 2.635 303 T HA -0.145 4.206 4.350 0.001 0.000 0.267 303 T C 1.838 176.351 174.700 -0.312 0.000 1.040 303 T CA 1.585 63.435 62.100 -0.417 0.000 1.156 303 T CB -0.414 68.268 68.868 -0.310 0.000 0.863 303 T HN 0.139 nan 8.240 nan 0.000 0.430 304 K N 0.703 120.912 120.400 -0.319 0.000 2.103 304 K HA 0.041 4.362 4.320 0.001 0.000 0.204 304 K C 2.581 179.048 176.600 -0.221 0.000 1.052 304 K CA 1.075 57.224 56.287 -0.229 0.000 0.945 304 K CB -0.866 31.507 32.500 -0.212 0.000 0.722 304 K HN 0.347 nan 8.250 nan 0.000 0.443 305 T N 2.203 116.505 114.554 -0.420 0.000 2.746 305 T HA -0.046 4.304 4.350 0.001 0.000 0.267 305 T C 2.114 176.543 174.700 -0.451 0.000 1.039 305 T CA 0.989 62.693 62.100 -0.659 0.000 1.142 305 T CB -0.167 67.915 68.868 -1.311 0.000 0.866 305 T HN 0.095 nan 8.240 nan 0.000 0.444 306 I N 0.941 121.314 120.570 -0.329 0.000 2.142 306 I HA -0.185 3.986 4.170 0.001 0.000 0.240 306 I C 2.801 178.884 176.117 -0.057 0.000 1.078 306 I CA 1.452 62.690 61.300 -0.104 0.000 1.343 306 I CB -0.377 37.585 38.000 -0.064 0.000 1.046 306 I HN 0.346 nan 8.210 nan 0.000 0.405 307 E N 0.817 120.969 120.200 -0.079 0.000 2.086 307 E HA -0.262 4.089 4.350 0.001 0.000 0.200 307 E C 2.220 178.830 176.600 0.017 0.000 1.012 307 E CA 2.111 58.490 56.400 -0.035 0.000 0.812 307 E CB 0.048 29.713 29.700 -0.058 0.000 0.743 307 E HN 0.401 nan 8.360 nan 0.000 0.453 308 S N 0.539 116.273 115.700 0.058 0.000 2.355 308 S HA -0.095 4.375 4.470 0.001 0.000 0.222 308 S C 2.010 176.706 174.600 0.159 0.000 1.031 308 S CA 0.911 59.217 58.200 0.176 0.000 0.993 308 S CB -0.234 63.223 63.200 0.430 0.000 0.859 308 S HN 0.266 nan 8.310 nan 0.000 0.453 309 L N 1.012 122.316 121.223 0.134 0.000 2.079 309 L HA -0.131 4.210 4.340 0.001 0.000 0.210 309 L C 2.737 179.653 176.870 0.076 0.000 1.081 309 L CA 1.277 56.179 54.840 0.102 0.000 0.752 309 L CB -0.387 41.704 42.059 0.053 0.000 0.896 309 L HN 0.235 nan 8.230 nan 0.000 0.433 310 R N -0.544 119.992 120.500 0.060 0.000 2.090 310 R HA -0.044 4.296 4.340 0.001 0.000 0.228 310 R C 2.390 178.723 176.300 0.055 0.000 1.110 310 R CA 1.091 57.223 56.100 0.053 0.000 0.973 310 R CB -0.320 30.003 30.300 0.037 0.000 0.869 310 R HN 0.334 nan 8.270 nan 0.000 0.440 311 A N 1.297 124.148 122.820 0.052 0.000 1.898 311 A HA -0.109 4.212 4.320 0.001 0.000 0.216 311 A C 2.116 179.736 177.584 0.061 0.000 1.181 311 A CA 1.076 53.139 52.037 0.043 0.000 0.620 311 A CB -0.363 18.660 19.000 0.039 0.000 0.819 311 A HN 0.137 nan 8.150 nan 0.000 0.442 312 I N -0.241 120.377 120.570 0.079 0.000 2.202 312 I HA -0.239 3.932 4.170 0.001 0.000 0.242 312 I C 2.945 179.211 176.117 0.248 0.000 1.091 312 I CA 1.033 62.408 61.300 0.125 0.000 1.368 312 I CB -0.308 37.727 38.000 0.058 0.000 1.058 312 I HN 0.332 nan 8.210 nan 0.000 0.410 313 A N 0.730 123.656 122.820 0.176 0.000 1.972 313 A HA -0.156 4.165 4.320 0.001 0.000 0.219 313 A C 2.491 180.211 177.584 0.227 0.000 1.169 313 A CA 1.742 53.898 52.037 0.199 0.000 0.635 313 A CB -0.779 18.278 19.000 0.094 0.000 0.810 313 A HN 0.440 nan 8.150 nan 0.000 0.446 314 A N -0.428 122.473 122.820 0.136 0.000 2.070 314 A HA -0.102 4.219 4.320 0.001 0.000 0.220 314 A C 1.915 179.527 177.584 0.047 0.000 1.159 314 A CA 1.517 53.602 52.037 0.080 0.000 0.656 314 A CB -0.251 18.772 19.000 0.038 0.000 0.800 314 A HN 0.354 nan 8.150 nan 0.000 0.453 315 K N -1.121 119.295 120.400 0.027 0.000 2.366 315 K HA 0.093 4.414 4.320 0.001 0.000 0.198 315 K C 0.220 176.592 176.600 -0.380 0.000 1.044 315 K CA 0.499 56.662 56.287 -0.206 0.000 0.973 315 K CB -0.268 32.023 32.500 -0.348 0.000 0.767 315 K HN 0.568 nan 8.250 nan 0.000 0.475 316 F N 0.890 120.871 119.950 0.053 0.000 2.861 316 F HA 0.116 4.644 4.527 0.002 0.000 0.222 316 F C 0.891 176.745 175.800 0.089 0.000 1.320 316 F CA -0.873 57.186 58.000 0.099 0.000 0.960 316 F CB -0.071 39.043 39.000 0.189 0.000 2.058 316 F HN -0.084 nan 8.300 nan 0.000 0.528 317 D N -1.397 119.226 120.400 0.371 0.000 2.553 317 D HA 0.204 4.845 4.640 0.001 0.000 0.249 317 D C 0.447 176.838 176.300 0.151 0.000 1.062 317 D CA -0.507 53.623 54.000 0.216 0.000 1.085 317 D CB 0.277 41.213 40.800 0.227 0.000 1.350 317 D HN 0.271 nan 8.370 nan 0.000 0.575 318 E N -0.111 120.150 120.200 0.101 0.000 2.130 318 E HA -0.209 4.142 4.350 0.001 0.000 0.196 318 E C 1.899 178.525 176.600 0.043 0.000 0.998 318 E CA 1.926 58.363 56.400 0.063 0.000 0.806 318 E CB -0.388 29.341 29.700 0.048 0.000 0.738 318 E HN 0.604 nan 8.360 nan 0.000 0.459 319 S N 0.830 116.556 115.700 0.043 0.000 2.383 319 S HA -0.102 4.368 4.470 0.001 0.000 0.227 319 S C 2.048 176.603 174.600 -0.074 0.000 1.026 319 S CA 0.689 58.881 58.200 -0.013 0.000 0.981 319 S CB -0.192 62.998 63.200 -0.016 0.000 0.818 319 S HN 0.066 nan 8.310 nan 0.000 0.472 320 I N 2.215 122.736 120.570 -0.083 0.000 2.353 320 I HA -0.081 4.090 4.170 0.001 0.000 0.248 320 I C 2.791 178.886 176.117 -0.037 0.000 1.119 320 I CA 1.168 62.388 61.300 -0.134 0.000 1.417 320 I CB -1.687 36.225 38.000 -0.147 0.000 1.078 320 I HN 0.442 nan 8.210 nan 0.000 0.421 321 Q N 0.411 120.225 119.800 0.023 0.000 2.170 321 Q HA -0.176 4.165 4.340 0.001 0.000 0.203 321 Q C 2.161 178.172 176.000 0.018 0.000 0.976 321 Q CA 1.148 56.973 55.803 0.036 0.000 0.858 321 Q CB 0.057 28.827 28.738 0.052 0.000 0.907 321 Q HN 0.373 nan 8.270 nan 0.000 0.433 322 K N 0.838 121.241 120.400 0.005 0.000 2.062 322 K HA -0.057 4.264 4.320 0.001 0.000 0.205 322 K C 1.837 178.433 176.600 -0.007 0.000 1.051 322 K CA 0.945 57.232 56.287 -0.000 0.000 0.941 322 K CB -0.068 32.429 32.500 -0.005 0.000 0.719 322 K HN 0.145 nan 8.250 nan 0.000 0.440 323 K N 0.593 120.977 120.400 -0.027 0.000 2.147 323 K HA -0.138 4.183 4.320 0.001 0.000 0.205 323 K C 2.336 178.936 176.600 0.001 0.000 1.049 323 K CA 1.048 57.317 56.287 -0.029 0.000 0.936 323 K CB -0.329 32.128 32.500 -0.072 0.000 0.722 323 K HN 0.154 nan 8.250 nan 0.000 0.446 324 C N 1.925 121.229 119.300 0.007 0.000 2.413 324 C HA -0.116 4.345 4.460 0.001 0.000 0.277 324 C C 2.396 177.421 174.990 0.058 0.000 1.228 324 C CA 1.113 60.155 59.018 0.039 0.000 1.731 324 C CB -0.555 27.209 27.740 0.041 0.000 2.042 324 C HN 0.414 nan 8.230 nan 0.000 0.468 325 E N 0.571 120.796 120.200 0.041 0.000 2.204 325 E HA -0.150 4.201 4.350 0.001 0.000 0.195 325 E C 2.006 178.627 176.600 0.034 0.000 0.990 325 E CA 1.192 57.617 56.400 0.042 0.000 0.821 325 E CB -0.491 29.226 29.700 0.028 0.000 0.750 325 E HN 0.756 nan 8.360 nan 0.000 0.477 326 E N 0.183 120.398 120.200 0.024 0.000 2.107 326 E HA -0.077 4.274 4.350 0.001 0.000 0.191 326 E C 2.192 178.807 176.600 0.024 0.000 0.982 326 E CA 0.676 57.081 56.400 0.008 0.000 0.809 326 E CB 0.132 29.829 29.700 -0.005 0.000 0.756 326 E HN 0.000 nan 8.360 nan 0.000 0.459 327 V N 1.499 121.458 119.914 0.076 0.000 2.295 327 V HA -0.260 3.861 4.120 0.001 0.000 0.246 327 V C 2.227 178.447 176.094 0.211 0.000 1.049 327 V CA 1.524 63.929 62.300 0.176 0.000 1.024 327 V CB -0.339 31.619 31.823 0.225 0.000 0.648 327 V HN 0.270 nan 8.190 nan 0.000 0.447 328 I N 0.375 121.041 120.570 0.160 0.000 2.179 328 I HA -0.258 3.913 4.170 0.001 0.000 0.242 328 I C 2.654 178.803 176.117 0.053 0.000 1.088 328 I CA 1.550 62.933 61.300 0.138 0.000 1.357 328 I CB -0.581 37.507 38.000 0.147 0.000 1.051 328 I HN 0.300 nan 8.210 nan 0.000 0.409 329 A N 0.629 123.463 122.820 0.023 0.000 1.933 329 A HA -0.271 4.050 4.320 0.001 0.000 0.218 329 A C 2.389 179.916 177.584 -0.096 0.000 1.175 329 A CA 1.981 54.000 52.037 -0.030 0.000 0.628 329 A CB -0.522 18.461 19.000 -0.029 0.000 0.814 329 A HN 0.406 nan 8.150 nan 0.000 0.444 330 K N -1.631 118.694 120.400 -0.125 0.000 2.025 330 K HA -0.148 4.173 4.320 0.001 0.000 0.207 330 K C 1.497 177.867 176.600 -0.383 0.000 1.049 330 K CA 1.654 57.777 56.287 -0.273 0.000 0.933 330 K CB -0.303 31.974 32.500 -0.371 0.000 0.714 330 K HN 0.508 nan 8.250 nan 0.000 0.438 331 Y N 1.032 121.177 120.300 -0.259 0.000 2.511 331 Y HA 0.069 4.620 4.550 0.001 0.000 0.279 331 Y C 2.095 177.773 175.900 -0.370 0.000 1.157 331 Y CA 0.470 58.339 58.100 -0.384 0.000 1.300 331 Y CB 0.082 38.011 38.460 -0.884 0.000 1.052 331 Y HN 0.098 nan 8.280 nan 0.000 0.529 332 K N 1.294 121.562 120.400 -0.221 0.000 2.020 332 K HA -0.186 4.135 4.320 0.001 0.000 0.212 332 K C -0.803 175.371 176.600 -0.710 0.000 1.050 332 K CA 1.895 57.903 56.287 -0.464 0.000 0.929 332 K CB -1.008 31.350 32.500 -0.236 0.000 0.714 332 K HN 0.162 nan 8.250 nan 0.000 0.443 333 P HA -0.132 nan 4.420 nan 0.000 0.222 333 P C 0.403 177.559 177.300 -0.241 0.000 1.147 333 P CA 1.371 64.282 63.100 -0.315 0.000 0.790 333 P CB 0.063 31.642 31.700 -0.201 0.000 0.780 334 E N 0.026 120.126 120.200 -0.166 0.000 2.028 334 E HA -0.118 4.233 4.350 0.001 0.000 0.190 334 E C 2.276 178.947 176.600 0.118 0.000 0.984 334 E CA 1.090 57.496 56.400 0.010 0.000 0.800 334 E CB -0.677 29.097 29.700 0.125 0.000 0.758 334 E HN 0.481 nan 8.360 nan 0.000 0.448 335 W N 1.605 122.975 121.300 0.116 0.000 2.402 335 W HA -0.026 4.634 4.660 0.001 0.000 0.286 335 W C 1.140 177.780 176.519 0.202 0.000 1.221 335 W CA 0.554 58.039 57.345 0.233 0.000 1.257 335 W CB -0.427 29.157 29.460 0.206 0.000 1.120 335 W HN 0.018 nan 8.180 nan 0.000 0.551 336 E N 1.196 121.093 120.200 -0.504 0.000 2.150 336 E HA -0.112 4.238 4.350 0.001 0.000 0.193 336 E C 2.625 179.168 176.600 -0.096 0.000 0.985 336 E CA 1.377 57.503 56.400 -0.457 0.000 0.814 336 E CB -0.209 29.044 29.700 -0.745 0.000 0.752 336 E HN 0.307 nan 8.360 nan 0.000 0.466 337 A N 0.769 123.551 122.820 -0.064 0.000 1.968 337 A HA -0.100 4.221 4.320 0.001 0.000 0.217 337 A C 2.429 180.061 177.584 0.080 0.000 1.169 337 A CA 0.789 52.823 52.037 -0.005 0.000 0.638 337 A CB -0.390 18.600 19.000 -0.016 0.000 0.812 337 A HN 0.091 nan 8.150 nan 0.000 0.446 338 V N -0.540 119.498 119.914 0.205 0.000 2.295 338 V HA -0.226 3.895 4.120 0.001 0.000 0.246 338 V C 2.545 178.840 176.094 0.335 0.000 1.049 338 V CA 2.000 64.487 62.300 0.311 0.000 1.024 338 V CB -0.828 31.225 31.823 0.383 0.000 0.648 338 V HN 0.450 nan 8.190 nan 0.000 0.447 339 V N 0.439 120.596 119.914 0.405 0.000 2.295 339 V HA -0.208 3.912 4.120 0.001 0.000 0.246 339 V C 2.596 178.802 176.094 0.186 0.000 1.049 339 V CA 2.323 64.843 62.300 0.365 0.000 1.024 339 V CB -0.654 31.436 31.823 0.444 0.000 0.648 339 V HN 0.482 nan 8.190 nan 0.000 0.447 340 A N -0.359 122.525 122.820 0.107 0.000 1.917 340 A HA -0.317 4.004 4.320 0.001 0.000 0.219 340 A C 2.385 179.950 177.584 -0.032 0.000 1.182 340 A CA 2.529 54.582 52.037 0.026 0.000 0.633 340 A CB -0.685 18.308 19.000 -0.012 0.000 0.819 340 A HN 0.667 nan 8.150 nan 0.000 0.448 341 K N -2.517 117.825 120.400 -0.097 0.000 2.076 341 K HA -0.074 4.247 4.320 0.001 0.000 0.204 341 K C 1.510 177.882 176.600 -0.380 0.000 1.051 341 K CA 1.425 57.522 56.287 -0.317 0.000 0.949 341 K CB -0.133 32.037 32.500 -0.550 0.000 0.726 341 K HN 0.550 nan 8.250 nan 0.000 0.443 342 Y N -0.355 119.953 120.300 0.013 0.000 2.535 342 Y HA 0.200 4.751 4.550 0.001 0.000 0.266 342 Y C 2.141 178.050 175.900 0.014 0.000 1.088 342 Y CA 0.028 58.121 58.100 -0.012 0.000 1.285 342 Y CB 0.022 38.438 38.460 -0.073 0.000 1.166 342 Y HN -0.044 nan 8.280 nan 0.000 0.525 343 R N 0.949 121.562 120.500 0.188 0.000 2.083 343 R HA -0.149 4.192 4.340 0.001 0.000 0.237 343 R C -0.987 175.373 176.300 0.101 0.000 1.137 343 R CA 1.945 58.138 56.100 0.154 0.000 0.951 343 R CB -1.255 29.143 30.300 0.163 0.000 0.851 343 R HN 0.175 nan 8.270 nan 0.000 0.434 344 P HA -0.120 nan 4.420 nan 0.000 0.221 344 P C 0.331 177.658 177.300 0.045 0.000 1.145 344 P CA 1.406 64.533 63.100 0.045 0.000 0.795 344 P CB -0.078 31.635 31.700 0.021 0.000 0.775 345 R N -1.269 119.268 120.500 0.061 0.000 2.246 345 R HA 0.212 4.553 4.340 0.001 0.000 0.199 345 R C 1.493 177.830 176.300 0.062 0.000 0.984 345 R CA 0.647 56.786 56.100 0.066 0.000 1.015 345 R CB -0.155 30.203 30.300 0.097 0.000 0.930 345 R HN 0.278 nan 8.270 nan 0.000 0.475 346 L N -0.202 121.061 121.223 0.067 0.000 2.920 346 L HA 0.197 4.537 4.340 0.001 0.000 0.257 346 L C 0.208 177.110 176.870 0.053 0.000 1.150 346 L CA -0.311 54.560 54.840 0.051 0.000 0.959 346 L CB 0.501 42.591 42.059 0.052 0.000 1.321 346 L HN -0.046 nan 8.230 nan 0.000 0.555 347 E N 1.155 121.389 120.200 0.058 0.000 2.529 347 E HA 0.210 4.561 4.350 0.001 0.000 0.259 347 E C 1.302 177.921 176.600 0.032 0.000 0.966 347 E CA 1.324 57.755 56.400 0.052 0.000 0.937 347 E CB 0.402 30.132 29.700 0.049 0.000 0.923 347 E HN 0.314 nan 8.360 nan 0.000 0.468 348 G N 3.953 112.769 108.800 0.028 0.000 2.234 348 G HA2 -0.275 3.686 3.960 0.001 0.000 0.260 348 G HA3 -0.275 3.686 3.960 0.001 0.000 0.260 348 G C -0.020 174.878 174.900 -0.004 0.000 0.987 348 G CA 0.373 45.480 45.100 0.011 0.000 0.625 348 G HN 0.481 nan 8.290 nan 0.000 0.532 349 K N 0.773 121.171 120.400 -0.004 0.000 2.326 349 K HA 0.434 4.755 4.320 0.001 0.000 0.275 349 K C 0.621 177.190 176.600 -0.052 0.000 1.018 349 K CA -0.132 56.137 56.287 -0.029 0.000 0.962 349 K CB 0.797 33.280 32.500 -0.029 0.000 0.953 349 K HN 0.395 nan 8.250 nan 0.000 0.475 350 R N 0.976 121.430 120.500 -0.078 0.000 2.338 350 R HA 0.388 4.729 4.340 0.001 0.000 0.317 350 R C -0.580 175.630 176.300 -0.151 0.000 0.968 350 R CA -0.642 55.398 56.100 -0.100 0.000 0.849 350 R CB 1.387 31.640 30.300 -0.078 0.000 1.128 350 R HN 0.221 nan 8.270 nan 0.000 0.448 351 V N 4.254 124.044 119.914 -0.206 0.000 2.513 351 V HA 0.467 4.588 4.120 0.001 0.000 0.299 351 V C 0.020 175.985 176.094 -0.215 0.000 1.035 351 V CA -0.726 61.399 62.300 -0.291 0.000 0.889 351 V CB 1.883 33.359 31.823 -0.580 0.000 0.988 351 V HN 0.699 nan 8.190 nan 0.000 0.440 352 M N 4.895 124.397 119.600 -0.164 0.000 2.383 352 M HA 0.633 5.114 4.480 0.001 0.000 0.325 352 M C -1.360 174.950 176.300 0.016 0.000 1.092 352 M CA -0.454 54.833 55.300 -0.022 0.000 0.961 352 M CB 2.017 34.646 32.600 0.048 0.000 1.672 352 M HN 0.441 nan 8.290 nan 0.000 0.438 353 L N 2.700 123.984 121.223 0.101 0.000 2.381 353 L HA 0.572 4.913 4.340 0.001 0.000 0.268 353 L C -1.603 175.405 176.870 0.231 0.000 0.997 353 L CA -0.911 53.974 54.840 0.076 0.000 0.818 353 L CB 2.154 44.163 42.059 -0.083 0.000 1.310 353 L HN 0.566 nan 8.230 nan 0.000 0.416 354 Y N 3.812 124.127 120.300 0.024 0.000 2.307 354 Y HA 0.663 5.214 4.550 0.001 0.000 0.323 354 Y C -0.988 174.891 175.900 -0.035 0.000 1.100 354 Y CA -0.719 57.347 58.100 -0.056 0.000 1.140 354 Y CB 0.911 39.201 38.460 -0.283 0.000 1.159 354 Y HN 0.401 nan 8.280 nan 0.000 0.436 355 I N 1.919 122.141 120.570 -0.580 0.000 3.722 355 I HA 0.653 4.824 4.170 0.001 0.000 0.285 355 I C 0.875 176.600 176.117 -0.654 0.000 1.140 355 I CA -0.905 60.078 61.300 -0.528 0.000 1.178 355 I CB 0.899 38.594 38.000 -0.507 0.000 1.359 355 I HN 0.567 nan 8.210 nan 0.000 0.456 356 G N -0.277 108.200 108.800 -0.538 0.000 2.655 356 G HA2 0.324 4.285 3.960 0.001 0.000 0.217 356 G HA3 0.324 4.285 3.960 0.001 0.000 0.217 356 G C 0.946 175.177 174.900 -1.115 0.000 1.279 356 G CA 0.861 45.465 45.100 -0.828 0.000 0.870 356 G HN 0.811 nan 8.290 nan 0.000 0.560 357 G N -1.307 107.205 108.800 -0.479 0.000 3.430 357 G HA2 0.361 4.321 3.960 0.001 0.000 0.222 357 G HA3 0.361 4.321 3.960 0.001 0.000 0.222 357 G C 0.747 175.686 174.900 0.064 0.000 1.102 357 G CA 0.727 45.749 45.100 -0.129 0.000 0.927 357 G HN 0.404 nan 8.290 nan 0.000 0.597 358 L N -0.829 120.421 121.223 0.044 0.000 2.678 358 L HA 0.550 4.891 4.340 0.001 0.000 0.187 358 L C 2.196 179.014 176.870 -0.087 0.000 1.073 358 L CA 0.569 55.375 54.840 -0.057 0.000 0.883 358 L CB -0.178 41.783 42.059 -0.164 0.000 1.501 358 L HN -0.086 nan 8.230 nan 0.000 0.488 359 R N 0.559 120.984 120.500 -0.125 0.000 2.193 359 R HA -0.045 4.296 4.340 0.001 0.000 0.229 359 R C -1.079 175.063 176.300 -0.262 0.000 1.110 359 R CA 1.642 57.640 56.100 -0.169 0.000 0.988 359 R CB -1.389 28.831 30.300 -0.132 0.000 0.871 359 R HN 0.370 nan 8.270 nan 0.000 0.458 360 P HA -0.199 nan 4.420 nan 0.000 0.219 360 P C 0.631 177.696 177.300 -0.392 0.000 1.146 360 P CA 1.389 64.141 63.100 -0.579 0.000 0.808 360 P CB 0.048 30.982 31.700 -1.277 0.000 0.779 361 R N -2.078 118.282 120.500 -0.234 0.000 2.167 361 R HA 0.080 4.421 4.340 0.001 0.000 0.201 361 R C 2.025 178.317 176.300 -0.014 0.000 1.024 361 R CA 0.443 56.500 56.100 -0.070 0.000 1.053 361 R CB -1.058 29.269 30.300 0.045 0.000 0.987 361 R HN 0.190 nan 8.270 nan 0.000 0.493 362 H N 0.926 119.891 119.070 -0.175 0.000 2.457 362 H HA -0.027 4.530 4.556 0.001 0.000 0.294 362 H C 1.831 176.986 175.328 -0.288 0.000 1.064 362 H CA 1.660 57.609 56.048 -0.165 0.000 1.330 362 H CB 0.670 30.374 29.762 -0.096 0.000 1.395 362 H HN 0.234 nan 8.280 nan 0.000 0.541 363 V N -1.674 118.003 119.914 -0.394 0.000 3.623 363 V HA -0.005 4.116 4.120 0.001 0.000 0.271 363 V C 1.949 177.960 176.094 -0.138 0.000 1.248 363 V CA 0.429 62.398 62.300 -0.552 0.000 1.156 363 V CB -0.592 30.872 31.823 -0.598 0.000 0.870 363 V HN 0.258 nan 8.190 nan 0.000 0.453 364 I N 2.186 122.733 120.570 -0.039 0.000 2.264 364 I HA -0.106 4.065 4.170 0.001 0.000 0.248 364 I C 2.694 178.833 176.117 0.036 0.000 1.111 364 I CA 1.832 63.167 61.300 0.058 0.000 1.382 364 I CB -0.819 37.170 38.000 -0.018 0.000 1.060 364 I HN 0.463 nan 8.210 nan 0.000 0.418 365 G N 0.489 109.251 108.800 -0.064 0.000 2.402 365 G HA2 -0.215 3.746 3.960 0.001 0.000 0.216 365 G HA3 -0.215 3.746 3.960 0.001 0.000 0.216 365 G C 1.881 176.714 174.900 -0.111 0.000 1.162 365 G CA 0.769 45.812 45.100 -0.095 0.000 0.777 365 G HN 0.485 nan 8.290 nan 0.000 0.539 366 A N 0.036 122.741 122.820 -0.192 0.000 1.933 366 A HA 0.004 4.324 4.320 0.001 0.000 0.218 366 A C 2.219 179.805 177.584 0.004 0.000 1.175 366 A CA 1.523 53.401 52.037 -0.265 0.000 0.628 366 A CB -0.622 17.944 19.000 -0.724 0.000 0.814 366 A HN 0.386 nan 8.150 nan 0.000 0.444 367 Y N 0.145 120.506 120.300 0.101 0.000 2.181 367 Y HA -0.165 4.386 4.550 0.002 0.000 0.288 367 Y C 2.459 178.433 175.900 0.123 0.000 1.146 367 Y CA 1.796 60.015 58.100 0.199 0.000 1.164 367 Y CB -0.382 38.142 38.460 0.107 0.000 0.982 367 Y HN 0.435 nan 8.280 nan 0.000 0.515 368 E N -0.372 119.950 120.200 0.202 0.000 2.204 368 E HA -0.173 4.178 4.350 0.001 0.000 0.194 368 E C 1.336 177.996 176.600 0.100 0.000 0.989 368 E CA 0.990 57.458 56.400 0.114 0.000 0.824 368 E CB -0.097 29.632 29.700 0.047 0.000 0.756 368 E HN 0.470 nan 8.360 nan 0.000 0.477 369 D N 0.287 120.742 120.400 0.091 0.000 2.310 369 D HA -0.085 4.556 4.640 0.001 0.000 0.212 369 D C 1.196 177.656 176.300 0.266 0.000 0.965 369 D CA 0.819 54.877 54.000 0.096 0.000 0.879 369 D CB 0.237 40.976 40.800 -0.102 0.000 0.921 369 D HN 0.227 nan 8.370 nan 0.000 0.510 370 L N -0.721 120.675 121.223 0.288 0.000 2.818 370 L HA 0.268 4.609 4.340 0.001 0.000 0.243 370 L C 1.161 178.136 176.870 0.175 0.000 1.185 370 L CA -0.143 54.853 54.840 0.259 0.000 0.988 370 L CB 0.410 42.612 42.059 0.239 0.000 1.292 370 L HN -0.039 nan 8.230 nan 0.000 0.519 371 G N 0.736 109.625 108.800 0.149 0.000 2.198 371 G HA2 -0.302 3.658 3.960 0.001 0.000 0.260 371 G HA3 -0.302 3.658 3.960 0.001 0.000 0.260 371 G C 0.167 175.120 174.900 0.089 0.000 1.025 371 G CA 0.269 45.430 45.100 0.103 0.000 0.769 371 G HN 0.313 nan 8.290 nan 0.000 0.507 372 M N -0.271 119.401 119.600 0.120 0.000 2.367 372 M HA 0.492 4.973 4.480 0.001 0.000 0.339 372 M C 0.265 176.593 176.300 0.047 0.000 1.177 372 M CA -0.450 54.903 55.300 0.088 0.000 1.068 372 M CB 1.720 34.413 32.600 0.155 0.000 1.602 372 M HN 0.229 nan 8.290 nan 0.000 0.457 373 E N 1.545 121.735 120.200 -0.017 0.000 2.171 373 E HA 0.405 4.756 4.350 0.001 0.000 0.271 373 E C -1.548 174.989 176.600 -0.106 0.000 0.916 373 E CA -0.631 55.744 56.400 -0.042 0.000 0.774 373 E CB 1.698 31.376 29.700 -0.035 0.000 1.128 373 E HN 0.455 nan 8.360 nan 0.000 0.403 374 V N 6.215 126.061 119.914 -0.113 0.000 2.339 374 V HA 0.023 4.144 4.120 0.001 0.000 0.261 374 V C 1.196 177.230 176.094 -0.101 0.000 1.058 374 V CA -0.165 62.041 62.300 -0.156 0.000 0.897 374 V CB 0.680 32.407 31.823 -0.160 0.000 1.052 374 V HN 0.694 nan 8.190 nan 0.000 0.480 375 V N 2.143 122.004 119.914 -0.089 0.000 3.406 375 V HA 0.547 4.668 4.120 0.001 0.000 0.263 375 V C 0.817 176.892 176.094 -0.032 0.000 1.172 375 V CA 0.950 63.216 62.300 -0.056 0.000 1.140 375 V CB -0.206 31.587 31.823 -0.050 0.000 0.784 375 V HN 0.792 nan 8.190 nan 0.000 0.467 376 G N -1.512 107.277 108.800 -0.018 0.000 2.732 376 G HA2 0.548 4.509 3.960 0.001 0.000 0.296 376 G HA3 0.548 4.509 3.960 0.001 0.000 0.296 376 G C -1.266 173.614 174.900 -0.034 0.000 1.448 376 G CA 0.222 45.343 45.100 0.034 0.000 0.911 376 G HN 0.257 nan 8.290 nan 0.000 0.528 377 T N -1.117 113.257 114.554 -0.301 0.000 2.821 377 T HA 0.887 5.238 4.350 0.001 0.000 0.306 377 T C -0.366 173.812 174.700 -0.869 0.000 1.313 377 T CA 0.381 62.236 62.100 -0.409 0.000 1.012 377 T CB 1.827 70.511 68.868 -0.305 0.000 1.298 377 T HN 1.973 nan 8.240 nan 0.000 0.502 378 G N 0.944 109.400 108.800 -0.573 0.000 2.579 378 G HA2 0.571 4.532 3.960 0.001 0.000 0.292 378 G HA3 0.571 4.532 3.960 0.001 0.000 0.292 378 G C -2.511 172.213 174.900 -0.293 0.000 1.484 378 G CA -0.583 44.327 45.100 -0.317 0.000 0.813 378 G HN 0.586 nan 8.290 nan 0.000 0.515 379 Y N 0.026 120.312 120.300 -0.023 0.000 2.468 379 Y HA 0.453 5.004 4.550 0.001 0.000 0.342 379 Y C 1.493 177.269 175.900 -0.207 0.000 1.021 379 Y CA -0.749 57.163 58.100 -0.313 0.000 1.079 379 Y CB 2.412 40.675 38.460 -0.327 0.000 1.226 379 Y HN 0.672 nan 8.280 nan 0.000 0.460 380 E N 1.512 121.482 120.200 -0.383 0.000 2.028 380 E HA -0.127 4.224 4.350 0.001 0.000 0.190 380 E C 0.171 176.854 176.600 0.138 0.000 0.984 380 E CA 1.620 57.985 56.400 -0.058 0.000 0.800 380 E CB -0.009 29.663 29.700 -0.046 0.000 0.758 380 E HN 0.688 nan 8.360 nan 0.000 0.448 381 F N -1.858 118.204 119.950 0.186 0.000 2.837 381 F HA 0.580 5.108 4.527 0.001 0.000 0.328 381 F C 0.056 175.981 175.800 0.207 0.000 1.173 381 F CA -1.055 57.052 58.000 0.179 0.000 1.160 381 F CB -0.287 38.794 39.000 0.135 0.000 1.115 381 F HN -0.209 nan 8.300 nan 0.000 0.512 382 A N 0.731 123.603 122.820 0.086 0.000 2.406 382 A HA 0.472 4.792 4.320 0.001 0.000 0.243 382 A C -0.338 177.420 177.584 0.289 0.000 1.082 382 A CA 0.096 52.104 52.037 -0.047 0.000 0.786 382 A CB 0.039 18.455 19.000 -0.974 0.000 1.029 382 A HN 0.534 nan 8.150 nan 0.000 0.495 383 H N -0.349 118.740 119.070 0.031 0.000 2.523 383 H HA 0.276 4.832 4.556 0.001 0.000 0.345 383 H C 1.209 176.637 175.328 0.166 0.000 1.261 383 H CA -0.342 55.784 56.048 0.130 0.000 1.343 383 H CB 0.484 30.326 29.762 0.133 0.000 1.650 383 H HN 0.803 nan 8.280 nan 0.000 0.591 384 N N 0.416 119.289 118.700 0.289 0.000 2.149 384 N HA -0.181 4.559 4.740 0.001 0.000 0.188 384 N C 0.948 176.561 175.510 0.172 0.000 1.019 384 N CA 1.616 54.800 53.050 0.224 0.000 0.857 384 N CB -0.026 38.535 38.487 0.122 0.000 0.997 384 N HN 0.680 nan 8.380 nan 0.000 0.426 385 D N -0.431 120.058 120.400 0.148 0.000 2.219 385 D HA -0.155 4.486 4.640 0.001 0.000 0.205 385 D C 0.920 177.180 176.300 -0.066 0.000 0.970 385 D CA 1.007 55.039 54.000 0.053 0.000 0.851 385 D CB -0.516 40.343 40.800 0.098 0.000 0.943 385 D HN 0.306 nan 8.370 nan 0.000 0.488 386 D N -0.201 120.141 120.400 -0.098 0.000 2.123 386 D HA -0.131 4.509 4.640 0.001 0.000 0.200 386 D C 1.856 177.946 176.300 -0.350 0.000 0.976 386 D CA 0.835 54.633 54.000 -0.336 0.000 0.831 386 D CB -0.428 39.964 40.800 -0.679 0.000 0.974 386 D HN 0.306 nan 8.370 nan 0.000 0.469 387 Y N 1.815 122.024 120.300 -0.153 0.000 2.242 387 Y HA -0.130 4.421 4.550 0.002 0.000 0.291 387 Y C 2.121 178.001 175.900 -0.034 0.000 1.137 387 Y CA 0.845 58.913 58.100 -0.053 0.000 1.181 387 Y CB -0.217 38.225 38.460 -0.030 0.000 0.989 387 Y HN -0.110 nan 8.280 nan 0.000 0.527 388 D N -0.024 120.429 120.400 0.088 0.000 2.116 388 D HA -0.176 4.465 4.640 0.001 0.000 0.193 388 D C 2.106 178.398 176.300 -0.014 0.000 0.998 388 D CA 1.434 55.450 54.000 0.027 0.000 0.836 388 D CB -0.318 40.481 40.800 -0.001 0.000 0.951 388 D HN 0.322 nan 8.370 nan 0.000 0.449 389 R N -0.158 120.305 120.500 -0.061 0.000 2.148 389 R HA 0.005 4.346 4.340 0.001 0.000 0.223 389 R C 2.223 178.505 176.300 -0.030 0.000 1.088 389 R CA 1.136 57.192 56.100 -0.074 0.000 0.985 389 R CB -0.156 30.061 30.300 -0.138 0.000 0.880 389 R HN 0.131 nan 8.270 nan 0.000 0.451 390 T N 0.697 115.247 114.554 -0.007 0.000 2.896 390 T HA -0.073 4.278 4.350 0.001 0.000 0.263 390 T C 1.647 176.364 174.700 0.028 0.000 1.050 390 T CA 0.791 62.908 62.100 0.029 0.000 1.140 390 T CB -0.071 68.847 68.868 0.082 0.000 0.877 390 T HN 0.046 nan 8.240 nan 0.000 0.457 391 M N 1.530 121.157 119.600 0.044 0.000 2.089 391 M HA -0.170 4.311 4.480 0.001 0.000 0.257 391 M C 1.966 178.269 176.300 0.004 0.000 1.071 391 M CA 1.578 56.897 55.300 0.031 0.000 1.096 391 M CB -0.187 32.432 32.600 0.031 0.000 1.330 391 M HN -0.019 nan 8.290 nan 0.000 0.403 392 K N -0.313 120.084 120.400 -0.006 0.000 2.026 392 K HA -0.107 4.214 4.320 0.001 0.000 0.208 392 K C 1.824 178.411 176.600 -0.021 0.000 1.048 392 K CA 1.316 57.593 56.287 -0.017 0.000 0.929 392 K CB -0.977 31.508 32.500 -0.025 0.000 0.713 392 K HN 0.411 nan 8.250 nan 0.000 0.439 393 E N 0.251 120.437 120.200 -0.023 0.000 2.274 393 E HA 0.015 4.366 4.350 0.001 0.000 0.194 393 E C 0.808 177.389 176.600 -0.032 0.000 0.996 393 E CA 0.474 56.855 56.400 -0.031 0.000 0.840 393 E CB 0.043 29.723 29.700 -0.033 0.000 0.772 393 E HN 0.223 nan 8.360 nan 0.000 0.491 394 M N 0.340 119.923 119.600 -0.028 0.000 2.367 394 M HA 0.321 4.802 4.480 0.001 0.000 0.339 394 M C 0.787 177.070 176.300 -0.027 0.000 1.177 394 M CA -0.395 54.885 55.300 -0.034 0.000 1.068 394 M CB 1.203 33.780 32.600 -0.038 0.000 1.602 394 M HN -0.145 nan 8.290 nan 0.000 0.457 395 G N 0.913 109.695 108.800 -0.030 0.000 2.572 395 G HA2 0.183 4.144 3.960 0.001 0.000 0.261 395 G HA3 0.183 4.144 3.960 0.001 0.000 0.261 395 G C -0.615 174.271 174.900 -0.023 0.000 1.197 395 G CA -0.335 44.750 45.100 -0.025 0.000 0.870 395 G HN 0.704 nan 8.290 nan 0.000 0.548 396 D N -1.019 119.369 120.400 -0.019 0.000 2.443 396 D HA 0.239 4.880 4.640 0.001 0.000 0.239 396 D C 1.028 177.315 176.300 -0.021 0.000 1.136 396 D CA 1.223 55.212 54.000 -0.018 0.000 0.879 396 D CB 0.452 41.243 40.800 -0.015 0.000 1.195 396 D HN 0.369 nan 8.370 nan 0.000 0.443 397 S N -0.196 115.490 115.700 -0.022 0.000 3.084 397 S HA -0.194 4.277 4.470 0.001 0.000 0.277 397 S C 0.543 175.123 174.600 -0.033 0.000 1.295 397 S CA 1.009 59.193 58.200 -0.026 0.000 1.170 397 S CB -2.663 60.524 63.200 -0.022 0.000 1.412 397 S HN 0.851 nan 8.310 nan 0.000 0.669 398 T N 0.076 114.608 114.554 -0.037 0.000 2.882 398 T HA 0.653 5.004 4.350 0.001 0.000 0.287 398 T C -0.022 174.645 174.700 -0.055 0.000 1.014 398 T CA -0.842 61.230 62.100 -0.045 0.000 1.049 398 T CB 1.228 70.067 68.868 -0.050 0.000 1.001 398 T HN 0.257 nan 8.240 nan 0.000 0.525 399 L N 1.863 123.051 121.223 -0.058 0.000 2.276 399 L HA 0.565 4.906 4.340 0.001 0.000 0.286 399 L C -1.157 175.642 176.870 -0.119 0.000 1.061 399 L CA -0.730 54.070 54.840 -0.068 0.000 0.807 399 L CB 0.269 42.285 42.059 -0.072 0.000 1.177 399 L HN 0.609 nan 8.230 nan 0.000 0.429 400 L N 6.763 127.920 121.223 -0.109 0.000 2.317 400 L HA 0.540 4.881 4.340 0.001 0.000 0.281 400 L C -1.117 175.725 176.870 -0.046 0.000 1.024 400 L CA -0.195 54.540 54.840 -0.174 0.000 0.810 400 L CB 1.438 43.483 42.059 -0.023 0.000 1.240 400 L HN 0.568 nan 8.230 nan 0.000 0.427 401 Y N -0.774 119.623 120.300 0.161 0.000 2.361 401 Y HA 0.627 5.178 4.550 0.001 0.000 0.328 401 Y C -0.893 175.198 175.900 0.319 0.000 1.044 401 Y CA -1.635 56.587 58.100 0.205 0.000 1.085 401 Y CB 1.070 39.656 38.460 0.211 0.000 1.194 401 Y HN 0.572 nan 8.280 nan 0.000 0.438 402 D N 2.592 123.246 120.400 0.423 0.000 2.168 402 D HA 0.253 4.894 4.640 0.001 0.000 0.246 402 D C -0.158 176.380 176.300 0.397 0.000 1.050 402 D CA -0.007 54.280 54.000 0.478 0.000 0.857 402 D CB 1.019 42.038 40.800 0.366 0.000 1.169 402 D HN 0.726 nan 8.370 nan 0.000 0.453 403 D N 2.513 123.169 120.400 0.426 0.000 2.697 403 D HA -0.204 4.437 4.640 0.001 0.000 0.235 403 D C -0.711 175.696 176.300 0.179 0.000 1.167 403 D CA 0.307 54.490 54.000 0.306 0.000 0.656 403 D CB -0.896 39.983 40.800 0.131 0.000 1.025 403 D HN 0.163 nan 8.370 nan 0.000 0.419 404 V N 1.106 121.078 119.914 0.095 0.000 2.763 404 V HA 0.279 4.400 4.120 0.001 0.000 0.306 404 V C 1.338 177.355 176.094 -0.129 0.000 1.059 404 V CA 0.758 62.973 62.300 -0.142 0.000 1.138 404 V CB 0.979 32.454 31.823 -0.580 0.000 0.940 404 V HN 0.532 nan 8.190 nan 0.000 0.489 405 T N 3.494 118.025 114.554 -0.038 0.000 2.849 405 T HA 0.418 4.769 4.350 0.001 0.000 0.284 405 T C 1.318 176.038 174.700 0.033 0.000 1.004 405 T CA -0.062 62.060 62.100 0.037 0.000 1.021 405 T CB 1.324 70.281 68.868 0.149 0.000 1.013 405 T HN 0.931 nan 8.240 nan 0.000 0.527 406 G N -0.414 108.440 108.800 0.090 0.000 2.422 406 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 406 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 406 G C 1.146 176.099 174.900 0.088 0.000 1.146 406 G CA 0.762 45.927 45.100 0.109 0.000 0.769 406 G HN 0.856 nan 8.290 nan 0.000 0.547 407 Y N 1.313 121.601 120.300 -0.021 0.000 2.133 407 Y HA -0.064 4.486 4.550 0.001 0.000 0.287 407 Y C 2.728 178.522 175.900 -0.177 0.000 1.134 407 Y CA 2.187 60.241 58.100 -0.076 0.000 1.133 407 Y CB -0.314 38.119 38.460 -0.046 0.000 0.987 407 Y HN 0.333 nan 8.280 nan 0.000 0.502 408 E N -0.545 119.473 120.200 -0.304 0.000 2.070 408 E HA -0.243 4.107 4.350 0.001 0.000 0.197 408 E C 2.027 178.081 176.600 -0.910 0.000 1.004 408 E CA 1.532 57.458 56.400 -0.791 0.000 0.805 408 E CB -0.479 28.896 29.700 -0.543 0.000 0.744 408 E HN 0.461 nan 8.360 nan 0.000 0.451 409 F N 1.945 121.552 119.950 -0.571 0.000 2.102 409 F HA -0.174 4.354 4.527 0.001 0.000 0.298 409 F C 2.233 177.971 175.800 -0.104 0.000 1.105 409 F CA 1.612 59.412 58.000 -0.333 0.000 1.239 409 F CB -0.401 38.507 39.000 -0.153 0.000 0.991 409 F HN -0.001 nan 8.300 nan 0.000 0.474 410 E N -0.182 119.976 120.200 -0.071 0.000 2.058 410 E HA -0.217 4.134 4.350 0.001 0.000 0.194 410 E C 2.077 178.573 176.600 -0.173 0.000 0.997 410 E CA 1.444 57.782 56.400 -0.103 0.000 0.801 410 E CB -0.037 29.546 29.700 -0.195 0.000 0.746 410 E HN 0.330 nan 8.360 nan 0.000 0.450 411 E N 0.032 120.003 120.200 -0.381 0.000 2.077 411 E HA -0.162 4.189 4.350 0.001 0.000 0.193 411 E C 1.976 178.511 176.600 -0.108 0.000 0.989 411 E CA 0.747 56.934 56.400 -0.355 0.000 0.800 411 E CB -0.356 28.953 29.700 -0.652 0.000 0.746 411 E HN 0.315 nan 8.360 nan 0.000 0.452 412 F N 0.708 120.573 119.950 -0.141 0.000 2.102 412 F HA -0.148 4.380 4.527 0.001 0.000 0.298 412 F C 2.552 178.294 175.800 -0.096 0.000 1.105 412 F CA 0.466 58.410 58.000 -0.094 0.000 1.239 412 F CB -1.305 37.641 39.000 -0.089 0.000 0.991 412 F HN -0.147 nan 8.300 nan 0.000 0.474 413 V N -0.034 119.908 119.914 0.047 0.000 2.427 413 V HA -0.260 3.861 4.120 0.001 0.000 0.248 413 V C 2.330 178.410 176.094 -0.024 0.000 1.051 413 V CA 1.603 63.865 62.300 -0.063 0.000 1.048 413 V CB -0.643 31.058 31.823 -0.203 0.000 0.666 413 V HN 0.278 nan 8.190 nan 0.000 0.456 414 K N -0.120 120.274 120.400 -0.011 0.000 2.057 414 K HA -0.216 4.104 4.320 0.001 0.000 0.207 414 K C 2.401 178.998 176.600 -0.006 0.000 1.049 414 K CA 1.582 57.861 56.287 -0.014 0.000 0.931 414 K CB -0.175 32.305 32.500 -0.034 0.000 0.714 414 K HN 0.213 nan 8.250 nan 0.000 0.440 415 R N 1.493 122.000 120.500 0.012 0.000 2.055 415 R HA 0.030 4.371 4.340 0.001 0.000 0.226 415 R C 1.917 178.222 176.300 0.008 0.000 1.135 415 R CA 1.296 57.407 56.100 0.018 0.000 0.959 415 R CB -0.501 29.826 30.300 0.044 0.000 0.854 415 R HN 0.108 nan 8.270 nan 0.000 0.431 416 I N 0.816 121.393 120.570 0.011 0.000 2.394 416 I HA -0.121 4.050 4.170 0.001 0.000 0.251 416 I C 0.177 176.277 176.117 -0.028 0.000 1.136 416 I CA 0.775 62.070 61.300 -0.008 0.000 1.425 416 I CB -0.166 37.832 38.000 -0.004 0.000 1.079 416 I HN 0.186 nan 8.210 nan 0.000 0.425 417 K N 0.504 120.882 120.400 -0.036 0.000 3.974 417 K HA -0.145 4.176 4.320 0.001 0.000 0.280 417 K C -2.300 174.256 176.600 -0.072 0.000 0.949 417 K CA -0.207 56.050 56.287 -0.050 0.000 0.817 417 K CB -1.378 31.101 32.500 -0.035 0.000 1.535 417 K HN 0.303 nan 8.250 nan 0.000 0.444 418 P HA 0.088 nan 4.420 nan 0.000 0.276 418 P C -0.137 177.078 177.300 -0.141 0.000 1.244 418 P CA -0.236 62.791 63.100 -0.120 0.000 0.801 418 P CB 0.756 32.367 31.700 -0.149 0.000 1.006 419 D N -0.210 120.106 120.400 -0.141 0.000 2.249 419 D HA 0.062 4.703 4.640 0.001 0.000 0.205 419 D C 0.408 176.581 176.300 -0.212 0.000 0.962 419 D CA 1.156 55.062 54.000 -0.156 0.000 0.860 419 D CB 0.262 40.993 40.800 -0.115 0.000 0.955 419 D HN 0.149 nan 8.370 nan 0.000 0.505 420 L N 0.459 121.555 121.223 -0.213 0.000 2.482 420 L HA 0.413 4.753 4.340 0.001 0.000 0.263 420 L C -1.658 175.058 176.870 -0.258 0.000 0.957 420 L CA -0.557 54.141 54.840 -0.237 0.000 0.836 420 L CB 2.528 44.469 42.059 -0.197 0.000 1.324 420 L HN -0.259 nan 8.230 nan 0.000 0.406 421 I N 3.024 123.420 120.570 -0.290 0.000 2.474 421 I HA 0.648 4.819 4.170 0.001 0.000 0.294 421 I C 0.207 176.004 176.117 -0.533 0.000 1.005 421 I CA -0.652 60.444 61.300 -0.340 0.000 1.113 421 I CB 2.117 39.898 38.000 -0.364 0.000 1.289 421 I HN 0.776 nan 8.210 nan 0.000 0.436 422 G N 3.373 111.952 108.800 -0.367 0.000 2.866 422 G HA2 0.547 4.508 3.960 0.001 0.000 0.318 422 G HA3 0.547 4.508 3.960 0.001 0.000 0.318 422 G C -0.795 174.016 174.900 -0.149 0.000 1.336 422 G CA -0.117 44.784 45.100 -0.332 0.000 1.067 422 G HN 0.564 nan 8.290 nan 0.000 0.515 423 S N 0.767 116.348 115.700 -0.198 0.000 3.359 423 S HA 0.882 5.353 4.470 0.001 0.000 0.323 423 S C 0.569 175.533 174.600 0.607 0.000 1.143 423 S CA 0.176 58.600 58.200 0.374 0.000 0.989 423 S CB 0.834 64.484 63.200 0.750 0.000 1.375 423 S HN 0.949 nan 8.310 nan 0.000 0.728 424 G N 0.542 109.731 108.800 0.649 0.000 2.705 424 G HA2 0.516 4.477 3.960 0.001 0.000 0.299 424 G HA3 0.516 4.477 3.960 0.001 0.000 0.299 424 G C 0.449 175.487 174.900 0.229 0.000 1.315 424 G CA -0.427 44.867 45.100 0.323 0.000 1.045 424 G HN 0.574 nan 8.290 nan 0.000 0.517 425 I N -0.571 120.029 120.570 0.050 0.000 2.394 425 I HA -0.019 4.151 4.170 0.001 0.000 0.251 425 I C 2.453 178.578 176.117 0.013 0.000 1.136 425 I CA 1.379 62.685 61.300 0.011 0.000 1.425 425 I CB -0.001 38.051 38.000 0.087 0.000 1.079 425 I HN 0.459 nan 8.210 nan 0.000 0.425 426 K N -0.056 120.383 120.400 0.063 0.000 2.365 426 K HA -0.112 4.208 4.320 0.001 0.000 0.199 426 K C 1.576 178.226 176.600 0.082 0.000 1.045 426 K CA 1.078 57.419 56.287 0.090 0.000 0.962 426 K CB 0.050 32.611 32.500 0.102 0.000 0.759 426 K HN 0.328 nan 8.250 nan 0.000 0.469 427 E N 0.634 120.895 120.200 0.103 0.000 2.251 427 E HA -0.025 4.326 4.350 0.001 0.000 0.194 427 E C 1.574 178.011 176.600 -0.272 0.000 0.964 427 E CA 0.411 56.914 56.400 0.172 0.000 0.868 427 E CB 0.142 30.245 29.700 0.671 0.000 0.828 427 E HN 0.124 nan 8.360 nan 0.000 0.481 428 K N 0.405 120.304 120.400 -0.836 0.000 2.015 428 K HA -0.197 4.123 4.320 0.001 0.000 0.216 428 K C 1.196 177.234 176.600 -0.938 0.000 1.052 428 K CA 1.778 56.998 56.287 -1.779 0.000 0.937 428 K CB -0.258 31.358 32.500 -1.474 0.000 0.719 428 K HN 0.086 nan 8.250 nan 0.000 0.446 429 F N 0.787 120.567 119.950 -0.285 0.000 2.558 429 F HA 0.096 4.623 4.527 0.001 0.000 0.298 429 F C 1.872 177.579 175.800 -0.155 0.000 1.119 429 F CA 0.315 58.232 58.000 -0.138 0.000 1.451 429 F CB -0.145 38.807 39.000 -0.080 0.000 1.091 429 F HN 0.029 nan 8.300 nan 0.000 0.563 430 I N -0.990 119.487 120.570 -0.154 0.000 2.163 430 I HA -0.287 3.884 4.170 0.001 0.000 0.240 430 I C 1.989 177.881 176.117 -0.376 0.000 1.081 430 I CA 1.606 62.691 61.300 -0.359 0.000 1.353 430 I CB -0.488 37.074 38.000 -0.729 0.000 1.054 430 I HN 0.015 nan 8.210 nan 0.000 0.407 431 F N 0.778 120.673 119.950 -0.092 0.000 2.335 431 F HA -0.061 4.467 4.527 0.001 0.000 0.296 431 F C 2.666 178.483 175.800 0.028 0.000 1.091 431 F CA 0.702 58.668 58.000 -0.057 0.000 1.399 431 F CB -0.731 38.245 39.000 -0.039 0.000 1.067 431 F HN 0.031 nan 8.300 nan 0.000 0.520 432 Q N 0.567 120.510 119.800 0.238 0.000 2.096 432 Q HA -0.228 4.113 4.340 0.001 0.000 0.204 432 Q C 2.034 178.242 176.000 0.347 0.000 0.982 432 Q CA 1.572 57.619 55.803 0.406 0.000 0.850 432 Q CB -0.267 28.713 28.738 0.403 0.000 0.901 432 Q HN 0.426 nan 8.270 nan 0.000 0.422 433 K N 0.127 120.636 120.400 0.182 0.000 2.148 433 K HA -0.045 4.276 4.320 0.001 0.000 0.204 433 K C 1.842 178.502 176.600 0.099 0.000 1.050 433 K CA 0.976 57.332 56.287 0.116 0.000 0.942 433 K CB 0.021 32.548 32.500 0.045 0.000 0.724 433 K HN 0.202 nan 8.250 nan 0.000 0.446 434 M N -0.501 119.150 119.600 0.085 0.000 2.630 434 M HA 0.015 4.496 4.480 0.001 0.000 0.254 434 M C 0.911 177.276 176.300 0.109 0.000 1.092 434 M CA 0.963 56.307 55.300 0.072 0.000 1.087 434 M CB 0.330 32.970 32.600 0.066 0.000 1.453 434 M HN 0.445 nan 8.290 nan 0.000 0.509 435 G N 1.420 110.339 108.800 0.199 0.000 2.141 435 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 435 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 435 G C -0.110 174.783 174.900 -0.011 0.000 0.982 435 G CA -0.347 44.913 45.100 0.268 0.000 0.662 435 G HN 0.421 nan 8.290 nan 0.000 0.527 436 I N 1.744 122.233 120.570 -0.134 0.000 2.315 436 I HA 0.397 4.568 4.170 0.001 0.000 0.291 436 I C -1.911 173.777 176.117 -0.715 0.000 1.006 436 I CA -2.582 58.499 61.300 -0.365 0.000 1.265 436 I CB 1.305 39.208 38.000 -0.161 0.000 1.387 436 I HN -0.200 nan 8.210 nan 0.000 0.475 437 P HA -0.070 nan 4.420 nan 0.000 0.261 437 P C -0.984 176.170 177.300 -0.244 0.000 1.165 437 P CA 0.463 62.990 63.100 -0.956 0.000 0.759 437 P CB 0.155 31.412 31.700 -0.739 0.000 0.772 438 F N 4.209 124.095 119.950 -0.106 0.000 2.540 438 F HA 0.546 5.073 4.527 0.001 0.000 0.317 438 F C -0.295 175.545 175.800 0.067 0.000 1.104 438 F CA -0.803 57.195 58.000 -0.003 0.000 0.913 438 F CB 1.575 40.611 39.000 0.060 0.000 1.170 438 F HN 0.043 nan 8.300 nan 0.000 0.450 439 R N 4.088 124.331 120.500 -0.430 0.000 2.480 439 R HA 0.245 4.585 4.340 0.001 0.000 0.306 439 R C -0.956 175.185 176.300 -0.265 0.000 0.958 439 R CA -0.815 55.204 56.100 -0.136 0.000 0.861 439 R CB 1.732 32.009 30.300 -0.038 0.000 1.171 439 R HN 0.766 nan 8.270 nan 0.000 0.445 440 E N 3.432 123.721 120.200 0.148 0.000 2.328 440 E HA 0.031 4.382 4.350 0.001 0.000 0.265 440 E C 0.567 177.303 176.600 0.227 0.000 1.057 440 E CA 0.219 56.759 56.400 0.234 0.000 0.916 440 E CB 0.677 30.461 29.700 0.140 0.000 0.993 440 E HN 0.193 nan 8.360 nan 0.000 0.446 441 M N 2.501 122.231 119.600 0.217 0.000 2.419 441 M HA 0.068 4.549 4.480 0.001 0.000 0.252 441 M C 0.845 177.053 176.300 -0.152 0.000 1.143 441 M CA 0.387 55.852 55.300 0.275 0.000 0.985 441 M CB -0.309 32.427 32.600 0.227 0.000 1.489 441 M HN 0.556 nan 8.290 nan 0.000 0.484 442 H N -0.818 118.127 119.070 -0.208 0.000 2.334 442 H HA 0.140 4.697 4.556 0.001 0.000 0.315 442 H C 1.839 176.776 175.328 -0.652 0.000 1.056 442 H CA 1.629 57.441 56.048 -0.393 0.000 1.418 442 H CB 0.066 29.724 29.762 -0.174 0.000 1.464 442 H HN 0.356 nan 8.280 nan 0.000 0.587 443 S N -0.417 115.132 115.700 -0.252 0.000 2.603 443 S HA -0.104 4.367 4.470 0.001 0.000 0.220 443 S C 0.327 174.737 174.600 -0.316 0.000 0.967 443 S CA -0.135 57.866 58.200 -0.331 0.000 0.920 443 S CB -0.757 62.285 63.200 -0.264 0.000 0.773 443 S HN 0.663 nan 8.310 nan 0.000 0.529 444 W N 1.222 122.368 121.300 -0.257 0.000 4.141 444 W HA -0.196 4.465 4.660 0.001 0.000 0.336 444 W C -0.165 176.190 176.519 -0.274 0.000 1.258 444 W CA 0.001 57.113 57.345 -0.388 0.000 0.747 444 W CB -2.426 26.609 29.460 -0.708 0.000 2.338 444 W HN 0.297 nan 8.180 nan 0.000 1.410 445 D N -0.602 119.705 120.400 -0.155 0.000 2.701 445 D HA -0.255 4.386 4.640 0.001 0.000 0.235 445 D C 0.219 176.331 176.300 -0.313 0.000 1.155 445 D CA 2.347 56.113 54.000 -0.390 0.000 0.649 445 D CB -1.277 39.534 40.800 0.019 0.000 1.050 445 D HN 0.612 nan 8.370 nan 0.000 0.425 446 Y N -3.356 117.038 120.300 0.157 0.000 4.490 446 Y HA -0.293 4.258 4.550 0.001 0.000 0.233 446 Y C 1.049 177.039 175.900 0.150 0.000 1.101 446 Y CA 0.981 59.166 58.100 0.143 0.000 2.010 446 Y CB -2.159 36.388 38.460 0.146 0.000 1.622 446 Y HN 0.215 nan 8.280 nan 0.000 0.675 447 S N -1.065 114.748 115.700 0.188 0.000 2.855 447 S HA 0.899 5.370 4.470 0.001 0.000 0.308 447 S C 0.533 175.192 174.600 0.099 0.000 1.077 447 S CA 0.496 58.801 58.200 0.174 0.000 0.896 447 S CB 1.758 65.073 63.200 0.193 0.000 1.339 447 S HN 1.749 nan 8.310 nan 0.000 0.602 448 G N 0.920 109.779 108.800 0.099 0.000 2.566 448 G HA2 -0.010 3.951 3.960 0.001 0.000 0.599 448 G HA3 -0.010 3.951 3.960 0.001 0.000 0.599 448 G C -3.211 171.757 174.900 0.114 0.000 1.292 448 G CA -0.437 44.668 45.100 0.008 0.000 0.922 448 G HN 0.692 nan 8.290 nan 0.000 0.514 449 P HA 0.329 nan 4.420 nan 0.000 0.272 449 P C -0.301 177.070 177.300 0.119 0.000 1.240 449 P CA 0.082 63.211 63.100 0.048 0.000 0.791 449 P CB 0.459 32.207 31.700 0.080 0.000 0.978 450 Y N -2.088 118.022 120.300 -0.316 0.000 2.430 450 Y HA 0.173 4.723 4.550 0.001 0.000 0.248 450 Y C 1.373 177.201 175.900 -0.121 0.000 1.108 450 Y CA -0.405 57.501 58.100 -0.324 0.000 1.264 450 Y CB -0.800 37.189 38.460 -0.784 0.000 1.172 450 Y HN 0.403 nan 8.280 nan 0.000 0.520 451 H N -0.213 118.789 119.070 -0.113 0.000 2.652 451 H HA 0.420 4.976 4.556 0.001 0.000 0.349 451 H C 0.997 176.218 175.328 -0.178 0.000 1.099 451 H CA 0.335 56.230 56.048 -0.254 0.000 1.417 451 H CB 0.891 30.531 29.762 -0.203 0.000 1.457 451 H HN 0.374 nan 8.280 nan 0.000 0.568 452 G N 1.257 109.918 108.800 -0.231 0.000 2.681 452 G HA2 -0.312 3.649 3.960 0.001 0.000 0.220 452 G HA3 -0.312 3.649 3.960 0.001 0.000 0.220 452 G C 0.018 174.651 174.900 -0.444 0.000 1.353 452 G CA 0.032 44.830 45.100 -0.503 0.000 0.872 452 G HN 0.473 nan 8.290 nan 0.000 0.557 453 F N 0.264 120.026 119.950 -0.312 0.000 2.163 453 F HA 0.117 4.645 4.527 0.001 0.000 0.297 453 F C 2.593 178.415 175.800 0.036 0.000 1.094 453 F CA 1.766 59.669 58.000 -0.163 0.000 1.290 453 F CB -0.330 38.476 39.000 -0.323 0.000 1.017 453 F HN 0.377 nan 8.300 nan 0.000 0.483 454 D N -0.278 120.229 120.400 0.178 0.000 2.219 454 D HA -0.074 4.567 4.640 0.001 0.000 0.205 454 D C 2.497 178.894 176.300 0.161 0.000 0.970 454 D CA 1.253 55.370 54.000 0.195 0.000 0.851 454 D CB -0.735 40.173 40.800 0.180 0.000 0.943 454 D HN 0.323 nan 8.370 nan 0.000 0.488 455 G N -0.020 108.853 108.800 0.121 0.000 2.403 455 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 455 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 455 G C 1.428 176.387 174.900 0.099 0.000 1.154 455 G CA 0.028 45.196 45.100 0.113 0.000 0.784 455 G HN 0.216 nan 8.290 nan 0.000 0.538 456 F N 2.639 122.564 119.950 -0.041 0.000 2.161 456 F HA 0.011 4.539 4.527 0.001 0.000 0.300 456 F C 2.719 178.544 175.800 0.041 0.000 1.089 456 F CA 1.026 59.006 58.000 -0.034 0.000 1.282 456 F CB -0.337 38.656 39.000 -0.011 0.000 1.010 456 F HN 0.227 nan 8.300 nan 0.000 0.485 457 A N 0.688 123.519 122.820 0.018 0.000 1.883 457 A HA -0.170 4.151 4.320 0.001 0.000 0.217 457 A C 2.331 179.804 177.584 -0.186 0.000 1.186 457 A CA 2.108 54.107 52.037 -0.064 0.000 0.624 457 A CB -1.179 17.887 19.000 0.111 0.000 0.822 457 A HN 0.482 nan 8.150 nan 0.000 0.444 458 I N -2.054 118.461 120.570 -0.092 0.000 2.202 458 I HA -0.188 3.982 4.170 0.001 0.000 0.242 458 I C 2.345 178.292 176.117 -0.283 0.000 1.091 458 I CA 1.475 62.725 61.300 -0.082 0.000 1.368 458 I CB -0.468 37.589 38.000 0.094 0.000 1.058 458 I HN 0.425 nan 8.210 nan 0.000 0.410 459 F N 2.207 121.736 119.950 -0.702 0.000 2.043 459 F HA -0.359 4.168 4.527 0.001 0.000 0.297 459 F C 2.524 177.822 175.800 -0.837 0.000 1.118 459 F CA 1.862 59.137 58.000 -1.208 0.000 1.202 459 F CB -0.516 37.806 39.000 -1.130 0.000 0.965 459 F HN 0.029 nan 8.300 nan 0.000 0.482 460 A N 0.917 123.240 122.820 -0.829 0.000 1.883 460 A HA -0.254 4.067 4.320 0.001 0.000 0.217 460 A C 2.140 179.058 177.584 -1.110 0.000 1.186 460 A CA 2.357 53.816 52.037 -0.963 0.000 0.624 460 A CB -0.892 17.541 19.000 -0.945 0.000 0.822 460 A HN 0.616 nan 8.150 nan 0.000 0.444 461 R N -0.235 119.613 120.500 -1.086 0.000 2.148 461 R HA -0.057 4.284 4.340 0.001 0.000 0.227 461 R C 1.150 177.191 176.300 -0.432 0.000 1.103 461 R CA 1.782 57.352 56.100 -0.882 0.000 0.983 461 R CB -0.722 29.308 30.300 -0.451 0.000 0.874 461 R HN 0.337 nan 8.270 nan 0.000 0.451 462 D N 0.399 120.558 120.400 -0.402 0.000 2.097 462 D HA -0.077 4.564 4.640 0.001 0.000 0.197 462 D C 1.788 177.926 176.300 -0.270 0.000 0.984 462 D CA 1.347 55.202 54.000 -0.240 0.000 0.826 462 D CB -0.068 40.641 40.800 -0.151 0.000 0.973 462 D HN 0.161 nan 8.370 nan 0.000 0.460 463 M N 0.492 119.798 119.600 -0.490 0.000 2.117 463 M HA -0.120 4.361 4.480 0.001 0.000 0.262 463 M C 1.850 178.025 176.300 -0.208 0.000 1.065 463 M CA 1.204 56.272 55.300 -0.386 0.000 1.114 463 M CB -1.033 31.221 32.600 -0.576 0.000 1.361 463 M HN 0.013 nan 8.290 nan 0.000 0.408 464 D N 0.623 120.885 120.400 -0.230 0.000 2.097 464 D HA -0.192 4.449 4.640 0.001 0.000 0.195 464 D C 2.101 178.407 176.300 0.010 0.000 0.989 464 D CA 1.865 55.826 54.000 -0.066 0.000 0.827 464 D CB -0.172 40.635 40.800 0.013 0.000 0.966 464 D HN 0.457 nan 8.370 nan 0.000 0.456 465 M N -1.214 118.381 119.600 -0.009 0.000 2.213 465 M HA -0.056 4.425 4.480 0.001 0.000 0.263 465 M C 1.696 178.069 176.300 0.122 0.000 1.062 465 M CA 1.660 56.996 55.300 0.060 0.000 1.105 465 M CB -0.335 32.292 32.600 0.046 0.000 1.385 465 M HN -0.165 nan 8.290 nan 0.000 0.417 466 T N 1.223 115.850 114.554 0.122 0.000 2.837 466 T HA 0.062 4.413 4.350 0.001 0.000 0.248 466 T C 1.671 176.540 174.700 0.280 0.000 1.033 466 T CA 0.952 63.203 62.100 0.252 0.000 1.150 466 T CB -0.236 68.745 68.868 0.188 0.000 0.865 466 T HN 0.317 nan 8.240 nan 0.000 0.425 467 L N 2.470 123.737 121.223 0.074 0.000 2.043 467 L HA -0.018 4.323 4.340 0.001 0.000 0.212 467 L C 1.162 178.079 176.870 0.079 0.000 1.075 467 L CA 1.842 56.670 54.840 -0.021 0.000 0.752 467 L CB -0.870 41.157 42.059 -0.053 0.000 0.891 467 L HN 0.170 nan 8.230 nan 0.000 0.432 468 N N -0.007 118.771 118.700 0.132 0.000 2.276 468 N HA 0.004 4.745 4.740 0.001 0.000 0.212 468 N C 0.033 175.666 175.510 0.205 0.000 1.127 468 N CA -0.041 53.100 53.050 0.151 0.000 0.834 468 N CB -0.427 38.120 38.487 0.100 0.000 1.014 468 N HN 0.414 nan 8.380 nan 0.000 0.491 469 N N 2.329 121.223 118.700 0.323 0.000 2.492 469 N HA 0.039 4.780 4.740 0.001 0.000 0.262 469 N C -1.417 174.171 175.510 0.131 0.000 1.202 469 N CA -1.061 52.112 53.050 0.206 0.000 0.926 469 N CB 1.645 40.230 38.487 0.163 0.000 1.078 469 N HN -0.002 nan 8.380 nan 0.000 0.454 470 P HA -0.115 nan 4.420 nan 0.000 0.219 470 P C 1.557 178.814 177.300 -0.072 0.000 1.146 470 P CA 0.942 64.046 63.100 0.006 0.000 0.808 470 P CB -0.283 31.414 31.700 -0.005 0.000 0.779 471 C N -3.487 115.669 119.300 -0.240 0.000 2.419 471 C HA 0.004 4.465 4.460 0.001 0.000 0.281 471 C C 2.414 177.187 174.990 -0.361 0.000 1.336 471 C CA -0.485 58.306 59.018 -0.379 0.000 1.770 471 C CB -2.486 24.897 27.740 -0.596 0.000 1.929 471 C HN 0.221 nan 8.230 nan 0.000 0.509 472 W N 1.217 122.534 121.300 0.028 0.000 2.678 472 W HA 0.124 4.785 4.660 0.001 0.000 0.256 472 W C 2.307 178.832 176.519 0.011 0.000 1.280 472 W CA 0.007 57.366 57.345 0.024 0.000 1.345 472 W CB -0.216 29.261 29.460 0.029 0.000 1.118 472 W HN 0.140 nan 8.180 nan 0.000 0.629 473 K N 0.571 121.070 120.400 0.165 0.000 2.459 473 K HA 0.010 4.330 4.320 0.001 0.000 0.193 473 K C 1.005 177.631 176.600 0.042 0.000 1.030 473 K CA 0.794 57.138 56.287 0.095 0.000 1.026 473 K CB 0.022 32.562 32.500 0.067 0.000 0.809 473 K HN 0.097 nan 8.250 nan 0.000 0.504 474 K N 0.702 121.111 120.400 0.016 0.000 2.514 474 K HA 0.196 4.517 4.320 0.001 0.000 0.207 474 K C 1.322 177.899 176.600 -0.038 0.000 1.035 474 K CA -0.195 56.076 56.287 -0.028 0.000 1.113 474 K CB 0.525 32.994 32.500 -0.052 0.000 0.846 474 K HN -0.024 nan 8.250 nan 0.000 0.491 475 L N 0.390 121.615 121.223 0.004 0.000 2.056 475 L HA -0.038 4.303 4.340 0.001 0.000 0.207 475 L C 1.137 177.977 176.870 -0.051 0.000 1.078 475 L CA 1.474 56.318 54.840 0.005 0.000 0.749 475 L CB -0.325 41.780 42.059 0.077 0.000 0.901 475 L HN 0.354 nan 8.230 nan 0.000 0.433 476 Q N 0.041 119.800 119.800 -0.068 0.000 2.256 476 Q HA 0.464 4.805 4.340 0.001 0.000 0.254 476 Q C -0.322 175.541 176.000 -0.229 0.000 0.916 476 Q CA -0.371 55.354 55.803 -0.130 0.000 0.932 476 Q CB 1.703 30.384 28.738 -0.094 0.000 1.207 476 Q HN 0.282 nan 8.270 nan 0.000 0.426 477 A N 5.246 127.827 122.820 -0.398 0.000 2.425 477 A HA 0.273 4.594 4.320 0.001 0.000 0.249 477 A C -1.747 175.476 177.584 -0.602 0.000 1.084 477 A CA -1.219 50.378 52.037 -0.733 0.000 0.781 477 A CB -0.016 18.140 19.000 -1.406 0.000 1.019 477 A HN 0.808 nan 8.150 nan 0.000 0.490 478 P HA -0.073 nan 4.420 nan 0.000 0.239 478 P C 0.349 177.674 177.300 0.041 0.000 1.184 478 P CA 1.102 64.137 63.100 -0.109 0.000 0.760 478 P CB -0.184 31.539 31.700 0.038 0.000 0.884 479 W N -1.259 120.047 121.300 0.010 0.000 3.005 479 W HA 0.565 5.225 4.660 0.001 0.000 0.374 479 W C -0.405 176.119 176.519 0.009 0.000 1.076 479 W CA -0.610 56.740 57.345 0.009 0.000 1.794 479 W CB -0.460 29.004 29.460 0.007 0.000 1.113 479 W HN -0.256 nan 8.180 nan 0.000 0.584 480 E N 0.000 120.060 120.200 -0.233 0.000 2.725 480 E HA 0.000 4.351 4.350 0.001 0.000 0.291 480 E CA 0.000 56.299 56.400 -0.168 0.000 0.976 480 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440