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 2byy_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSEGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 K N 1.340 121.746 120.400 0.010 0.000 6.703 2 K HA -0.073 4.280 4.320 0.055 0.000 0.800 2 K C -1.043 175.560 176.600 0.004 0.000 2.378 2 K CA 0.722 57.013 56.287 0.006 0.000 1.724 2 K CB -0.366 32.134 32.500 0.001 0.000 2.267 2 K HN 0.695 nan 8.250 nan 0.000 0.261 3 R N 0.846 121.347 120.500 0.002 0.000 2.536 3 R HA 0.731 5.104 4.340 0.055 0.000 0.279 3 R C 0.019 176.312 176.300 -0.012 0.000 1.001 3 R CA -0.426 55.674 56.100 0.000 0.000 1.027 3 R CB 1.496 31.798 30.300 0.004 0.000 1.096 3 R HN 0.651 nan 8.270 nan 0.000 0.502 4 A N 1.674 124.483 122.820 -0.018 0.000 2.343 4 A HA 0.642 4.995 4.320 0.055 0.000 0.316 4 A C -0.608 176.953 177.584 -0.039 0.000 1.104 4 A CA -0.677 51.337 52.037 -0.038 0.000 0.768 4 A CB 1.180 20.149 19.000 -0.051 0.000 1.213 4 A HN 0.521 nan 8.150 nan 0.000 0.456 5 V N -0.170 119.716 119.914 -0.048 0.000 3.126 5 V HA 0.745 4.898 4.120 0.055 0.000 0.314 5 V C -0.737 175.318 176.094 -0.065 0.000 1.138 5 V CA -1.103 61.170 62.300 -0.045 0.000 1.034 5 V CB 1.791 33.595 31.823 -0.032 0.000 1.075 5 V HN 0.624 nan 8.190 nan 0.000 0.442 6 I N 2.515 123.053 120.570 -0.053 0.000 2.321 6 I HA 0.434 4.637 4.170 0.055 0.000 0.291 6 I C 1.122 177.242 176.117 0.004 0.000 0.998 6 I CA 0.167 61.426 61.300 -0.069 0.000 1.227 6 I CB 1.250 39.185 38.000 -0.107 0.000 1.368 6 I HN 1.044 nan 8.210 nan 0.000 0.466 7 T N 1.145 115.694 114.554 -0.009 0.000 3.044 7 T HA 0.510 4.893 4.350 0.055 0.000 0.260 7 T C 0.538 175.322 174.700 0.141 0.000 1.019 7 T CA -0.247 61.880 62.100 0.044 0.000 0.921 7 T CB 0.398 69.266 68.868 -0.001 0.000 1.053 7 T HN 0.814 nan 8.240 nan 0.000 0.533 8 G N 1.251 110.113 108.800 0.105 0.000 2.442 8 G HA2 0.512 4.505 3.960 0.055 0.000 0.296 8 G HA3 0.512 4.505 3.960 0.055 0.000 0.296 8 G C -2.046 172.803 174.900 -0.085 0.000 1.564 8 G CA -0.941 44.237 45.100 0.130 0.000 0.828 8 G HN 0.632 nan 8.290 nan 0.000 0.571 9 L N -1.017 120.140 121.223 -0.110 0.000 2.415 9 L HA 1.066 5.439 4.340 0.055 0.000 0.256 9 L C 0.131 176.944 176.870 -0.095 0.000 1.010 9 L CA -0.863 53.870 54.840 -0.179 0.000 0.826 9 L CB 1.806 43.652 42.059 -0.354 0.000 1.405 9 L HN 1.221 nan 8.230 nan 0.000 0.410 10 G N 0.410 109.150 108.800 -0.101 0.000 2.659 10 G HA2 0.816 4.809 3.960 0.055 0.000 0.296 10 G HA3 0.816 4.809 3.960 0.055 0.000 0.296 10 G C -1.950 172.904 174.900 -0.075 0.000 1.369 10 G CA -0.749 44.309 45.100 -0.070 0.000 0.937 10 G HN 1.023 nan 8.290 nan 0.000 0.485 11 I N 0.219 120.760 120.570 -0.050 0.000 2.785 11 I HA 0.555 4.759 4.170 0.055 0.000 0.293 11 I C -1.678 174.417 176.117 -0.037 0.000 1.446 11 I CA -0.874 60.393 61.300 -0.054 0.000 1.028 11 I CB 2.222 40.178 38.000 -0.073 0.000 1.349 11 I HN 0.373 nan 8.210 nan 0.000 0.438 12 V N 6.386 126.266 119.914 -0.057 0.000 2.419 12 V HA 0.632 4.785 4.120 0.055 0.000 0.287 12 V C -0.267 175.736 176.094 -0.152 0.000 1.017 12 V CA -0.156 62.083 62.300 -0.101 0.000 0.844 12 V CB 1.333 33.079 31.823 -0.127 0.000 1.011 12 V HN 0.833 nan 8.190 nan 0.000 0.429 13 S N 2.334 117.969 115.700 -0.109 0.000 2.685 13 S HA 0.438 4.941 4.470 0.055 0.000 0.282 13 S C 1.153 175.697 174.600 -0.093 0.000 1.159 13 S CA 0.105 58.249 58.200 -0.092 0.000 0.833 13 S CB 1.721 64.943 63.200 0.037 0.000 1.151 13 S HN 0.969 nan 8.310 nan 0.000 0.485 14 S N 0.472 116.125 115.700 -0.079 0.000 2.440 14 S HA -0.122 4.381 4.470 0.055 0.000 0.238 14 S C 1.427 176.002 174.600 -0.041 0.000 1.010 14 S CA 1.275 59.431 58.200 -0.073 0.000 0.972 14 S CB -1.191 61.980 63.200 -0.048 0.000 0.774 14 S HN 1.110 nan 8.310 nan 0.000 0.501 15 I N -2.769 117.786 120.570 -0.025 0.000 3.974 15 I HA 0.674 4.877 4.170 0.055 0.000 0.334 15 I C 0.514 176.620 176.117 -0.018 0.000 1.437 15 I CA -0.413 60.869 61.300 -0.029 0.000 1.113 15 I CB 0.344 38.306 38.000 -0.063 0.000 1.063 15 I HN 0.268 nan 8.210 nan 0.000 0.400 16 G N 1.110 109.901 108.800 -0.015 0.000 2.318 16 G HA2 0.046 4.039 3.960 0.055 0.000 0.306 16 G HA3 0.046 4.039 3.960 0.055 0.000 0.306 16 G C -0.804 174.085 174.900 -0.019 0.000 1.696 16 G CA -0.660 44.434 45.100 -0.009 0.000 0.905 16 G HN 0.012 nan 8.290 nan 0.000 0.700 17 N N 0.493 119.180 118.700 -0.023 0.000 2.370 17 N HA 0.082 4.855 4.740 0.055 0.000 0.198 17 N C 0.378 175.884 175.510 -0.008 0.000 1.156 17 N CA 0.700 53.734 53.050 -0.027 0.000 0.839 17 N CB 0.182 38.657 38.487 -0.021 0.000 0.989 17 N HN 0.842 nan 8.380 nan 0.000 0.468 18 N N -1.954 116.747 118.700 0.002 0.000 3.355 18 N HA -0.054 4.719 4.740 0.055 0.000 0.238 18 N C 0.262 175.786 175.510 0.023 0.000 1.466 18 N CA -0.690 52.366 53.050 0.011 0.000 0.882 18 N CB 0.410 38.906 38.487 0.015 0.000 1.406 18 N HN -0.141 nan 8.380 nan 0.000 0.500 19 Q N -1.221 118.600 119.800 0.035 0.000 2.364 19 Q HA -0.077 4.296 4.340 0.055 0.000 0.207 19 Q C 0.607 176.630 176.000 0.039 0.000 0.970 19 Q CA 1.311 57.147 55.803 0.055 0.000 0.888 19 Q CB -0.196 28.593 28.738 0.085 0.000 0.951 19 Q HN 0.621 nan 8.270 nan 0.000 0.469 20 Q N 1.526 121.338 119.800 0.021 0.000 1.969 20 Q HA -0.092 4.281 4.340 0.055 0.000 0.198 20 Q C 1.828 177.813 176.000 -0.026 0.000 0.978 20 Q CA 1.935 57.732 55.803 -0.010 0.000 0.830 20 Q CB -0.000 28.735 28.738 -0.005 0.000 0.896 20 Q HN 0.515 nan 8.270 nan 0.000 0.431 21 E N -0.230 119.961 120.200 -0.014 0.000 2.171 21 E HA -0.182 4.201 4.350 0.055 0.000 0.197 21 E C 1.928 178.517 176.600 -0.019 0.000 0.997 21 E CA 1.284 57.672 56.400 -0.020 0.000 0.810 21 E CB -0.094 29.599 29.700 -0.013 0.000 0.738 21 E HN 0.105 nan 8.360 nan 0.000 0.467 22 V N 1.227 121.144 119.914 0.005 0.000 2.323 22 V HA -0.206 3.947 4.120 0.055 0.000 0.244 22 V C 2.226 178.323 176.094 0.005 0.000 1.041 22 V CA 1.310 63.627 62.300 0.027 0.000 1.025 22 V CB -0.297 31.595 31.823 0.114 0.000 0.656 22 V HN 0.225 nan 8.190 nan 0.000 0.451 23 L N 0.947 122.166 121.223 -0.006 0.000 2.127 23 L HA -0.111 4.262 4.340 0.055 0.000 0.211 23 L C 2.320 179.115 176.870 -0.125 0.000 1.089 23 L CA 2.374 57.181 54.840 -0.055 0.000 0.757 23 L CB -0.822 41.133 42.059 -0.172 0.000 0.899 23 L HN 0.225 nan 8.230 nan 0.000 0.434 24 A N -1.537 121.217 122.820 -0.109 0.000 1.897 24 A HA -0.124 4.229 4.320 0.055 0.000 0.215 24 A C 2.354 179.880 177.584 -0.098 0.000 1.181 24 A CA 1.697 53.662 52.037 -0.119 0.000 0.620 24 A CB -0.833 18.115 19.000 -0.087 0.000 0.821 24 A HN 0.516 nan 8.150 nan 0.000 0.443 25 S N 0.140 115.797 115.700 -0.071 0.000 2.368 25 S HA -0.081 4.422 4.470 0.055 0.000 0.224 25 S C 1.815 176.376 174.600 -0.065 0.000 1.029 25 S CA 1.375 59.535 58.200 -0.066 0.000 0.988 25 S CB -0.488 62.672 63.200 -0.067 0.000 0.838 25 S HN 0.494 nan 8.310 nan 0.000 0.462 26 L N 1.000 122.193 121.223 -0.050 0.000 2.079 26 L HA -0.139 4.234 4.340 0.055 0.000 0.210 26 L C 2.768 179.699 176.870 0.101 0.000 1.081 26 L CA 1.253 56.112 54.840 0.031 0.000 0.752 26 L CB -0.423 41.737 42.059 0.168 0.000 0.896 26 L HN 0.254 nan 8.230 nan 0.000 0.433 27 R N 0.330 120.784 120.500 -0.078 0.000 2.062 27 R HA -0.152 4.221 4.340 0.055 0.000 0.229 27 R C 2.005 178.252 176.300 -0.087 0.000 1.128 27 R CA 1.548 57.527 56.100 -0.202 0.000 0.960 27 R CB -0.217 29.827 30.300 -0.426 0.000 0.855 27 R HN 0.529 nan 8.270 nan 0.000 0.432 28 E N 0.090 120.241 120.200 -0.081 0.000 2.502 28 E HA 0.031 4.414 4.350 0.055 0.000 0.194 28 E C 0.593 177.173 176.600 -0.033 0.000 1.062 28 E CA 0.507 56.874 56.400 -0.055 0.000 0.867 28 E CB 0.198 29.864 29.700 -0.057 0.000 0.888 28 E HN 0.305 nan 8.360 nan 0.000 0.510 29 G N 1.988 110.774 108.800 -0.025 0.000 2.273 29 G HA2 -0.385 3.608 3.960 0.055 0.000 0.280 29 G HA3 -0.385 3.608 3.960 0.055 0.000 0.280 29 G C -0.058 174.822 174.900 -0.034 0.000 1.047 29 G CA 0.478 45.563 45.100 -0.023 0.000 0.869 29 G HN 0.397 nan 8.290 nan 0.000 0.502 30 R N 0.207 120.683 120.500 -0.041 0.000 2.442 30 R HA 0.451 4.824 4.340 0.055 0.000 0.291 30 R C 0.801 177.078 176.300 -0.037 0.000 1.069 30 R CA 0.339 56.418 56.100 -0.035 0.000 1.022 30 R CB 0.460 30.738 30.300 -0.036 0.000 0.976 30 R HN 0.261 nan 8.270 nan 0.000 0.443 31 S N 1.952 117.639 115.700 -0.021 0.000 2.545 31 S HA 0.257 4.760 4.470 0.055 0.000 0.275 31 S C 0.953 175.554 174.600 0.002 0.000 1.299 31 S CA -0.312 57.881 58.200 -0.011 0.000 1.048 31 S CB 1.335 64.537 63.200 0.003 0.000 0.938 31 S HN 0.786 nan 8.310 nan 0.000 0.496 32 G N 4.039 112.841 108.800 0.004 0.000 3.088 32 G HA2 0.196 4.189 3.960 0.055 0.000 0.217 32 G HA3 0.196 4.189 3.960 0.055 0.000 0.217 32 G C 0.248 175.180 174.900 0.054 0.000 1.159 32 G CA -0.201 44.907 45.100 0.014 0.000 0.760 32 G HN 0.619 nan 8.290 nan 0.000 0.550 33 I N 2.629 123.246 120.570 0.079 0.000 2.474 33 I HA 0.351 4.554 4.170 0.055 0.000 0.287 33 I C 0.475 176.697 176.117 0.175 0.000 1.048 33 I CA -0.314 61.071 61.300 0.141 0.000 1.383 33 I CB 0.338 38.413 38.000 0.126 0.000 1.412 33 I HN 0.046 nan 8.210 nan 0.000 0.531 34 T N 2.750 117.466 114.554 0.269 0.000 2.900 34 T HA 0.490 4.874 4.350 0.055 0.000 0.303 34 T C -0.487 174.395 174.700 0.302 0.000 1.142 34 T CA -0.763 61.505 62.100 0.280 0.000 1.007 34 T CB 1.704 70.743 68.868 0.285 0.000 1.156 34 T HN 0.259 nan 8.240 nan 0.000 0.490 35 F N 2.069 122.085 119.950 0.110 0.000 2.553 35 F HA 0.480 5.043 4.527 0.059 0.000 0.356 35 F C 0.509 176.280 175.800 -0.048 0.000 1.142 35 F CA 0.298 58.315 58.000 0.029 0.000 1.322 35 F CB 0.634 39.652 39.000 0.030 0.000 1.126 35 F HN 0.755 nan 8.300 nan 0.000 0.599 36 S N 4.658 119.661 115.700 -1.162 0.000 2.659 36 S HA 0.214 4.717 4.470 0.055 0.000 0.312 36 S C 0.302 174.124 174.600 -1.296 0.000 1.114 36 S CA -0.737 56.766 58.200 -1.162 0.000 1.063 36 S CB 1.552 63.465 63.200 -2.144 0.000 0.996 36 S HN 0.871 nan 8.310 nan 0.000 0.478 37 Q N 3.246 122.643 119.800 -0.671 0.000 2.167 37 Q HA -0.031 4.342 4.340 0.055 0.000 0.202 37 Q C 1.728 177.504 176.000 -0.373 0.000 0.970 37 Q CA 2.061 57.648 55.803 -0.361 0.000 0.855 37 Q CB -0.165 28.577 28.738 0.005 0.000 0.911 37 Q HN 0.919 nan 8.270 nan 0.000 0.438 38 E N -0.500 119.479 120.200 -0.369 0.000 2.038 38 E HA -0.197 4.186 4.350 0.055 0.000 0.195 38 E C 1.817 178.225 176.600 -0.320 0.000 1.000 38 E CA 1.379 57.633 56.400 -0.244 0.000 0.803 38 E CB -0.163 29.504 29.700 -0.054 0.000 0.750 38 E HN 0.422 nan 8.360 nan 0.000 0.448 39 L N 0.569 121.478 121.223 -0.522 0.000 1.994 39 L HA -0.198 4.175 4.340 0.055 0.000 0.208 39 L C 2.884 179.528 176.870 -0.376 0.000 1.071 39 L CA 1.633 56.253 54.840 -0.367 0.000 0.745 39 L CB -0.621 41.172 42.059 -0.445 0.000 0.892 39 L HN 0.147 nan 8.230 nan 0.000 0.431 40 K N 0.206 120.235 120.400 -0.618 0.000 2.063 40 K HA -0.226 4.127 4.320 0.055 0.000 0.208 40 K C 1.758 178.119 176.600 -0.399 0.000 1.048 40 K CA 1.899 57.734 56.287 -0.753 0.000 0.928 40 K CB -0.043 31.894 32.500 -0.938 0.000 0.713 40 K HN 0.261 nan 8.250 nan 0.000 0.442 41 D N 0.093 120.297 120.400 -0.327 0.000 2.144 41 D HA -0.136 4.537 4.640 0.055 0.000 0.199 41 D C 1.950 178.074 176.300 -0.293 0.000 0.984 41 D CA 1.587 55.437 54.000 -0.251 0.000 0.834 41 D CB -0.180 40.490 40.800 -0.217 0.000 0.955 41 D HN 0.381 nan 8.370 nan 0.000 0.465 42 S N -0.418 115.068 115.700 -0.357 0.000 2.469 42 S HA 0.009 4.512 4.470 0.055 0.000 0.238 42 S C 1.708 176.140 174.600 -0.281 0.000 0.998 42 S CA 1.426 59.340 58.200 -0.477 0.000 0.957 42 S CB 0.005 62.944 63.200 -0.435 0.000 0.764 42 S HN 0.354 nan 8.310 nan 0.000 0.514 43 G N 0.409 109.098 108.800 -0.185 0.000 2.138 43 G HA2 -0.189 3.804 3.960 0.055 0.000 0.193 43 G HA3 -0.189 3.804 3.960 0.055 0.000 0.193 43 G C -0.005 174.882 174.900 -0.022 0.000 0.998 43 G CA 0.056 45.098 45.100 -0.098 0.000 0.668 43 G HN 0.488 nan 8.290 nan 0.000 0.516 44 M N -0.736 118.860 119.600 -0.006 0.000 2.114 44 M HA 0.440 4.953 4.480 0.055 0.000 0.293 44 M C 1.837 178.233 176.300 0.160 0.000 1.201 44 M CA -0.051 55.292 55.300 0.071 0.000 1.107 44 M CB 0.516 33.163 32.600 0.077 0.000 1.405 44 M HN 0.101 nan 8.290 nan 0.000 0.486 45 R N -0.623 119.939 120.500 0.103 0.000 2.237 45 R HA 0.160 4.533 4.340 0.055 0.000 0.195 45 R C 0.364 176.610 176.300 -0.090 0.000 0.956 45 R CA 0.088 56.199 56.100 0.019 0.000 1.029 45 R CB 0.455 30.744 30.300 -0.018 0.000 0.972 45 R HN 0.546 nan 8.270 nan 0.000 0.493 46 S N -0.044 115.676 115.700 0.033 0.000 2.525 46 S HA 0.187 4.690 4.470 0.055 0.000 0.278 46 S C -0.008 174.697 174.600 0.174 0.000 1.234 46 S CA -0.513 57.687 58.200 -0.001 0.000 1.058 46 S CB 0.549 63.740 63.200 -0.015 0.000 0.983 46 S HN 0.330 nan 8.310 nan 0.000 0.495 47 H N 2.138 121.129 119.070 -0.132 0.000 2.767 47 H HA 0.301 4.890 4.556 0.054 0.000 0.260 47 H C -0.107 174.988 175.328 -0.388 0.000 1.172 47 H CA -0.464 55.403 56.048 -0.302 0.000 1.048 47 H CB 0.777 30.447 29.762 -0.155 0.000 1.697 47 H HN 0.444 nan 8.280 nan 0.000 0.606 48 V N -1.636 118.224 119.914 -0.091 0.000 3.001 48 V HA 0.677 4.830 4.120 0.055 0.000 0.314 48 V C -1.432 174.727 176.094 0.109 0.000 1.099 48 V CA -0.837 61.452 62.300 -0.019 0.000 0.989 48 V CB 2.481 34.370 31.823 0.110 0.000 1.040 48 V HN 0.390 nan 8.190 nan 0.000 0.434 49 W N 0.592 121.912 121.300 0.033 0.000 3.173 49 W HA 0.724 5.414 4.660 0.050 0.000 0.313 49 W C -0.459 176.090 176.519 0.049 0.000 1.228 49 W CA -1.468 55.903 57.345 0.043 0.000 1.185 49 W CB 0.605 30.088 29.460 0.039 0.000 1.390 49 W HN 1.088 nan 8.180 nan 0.000 0.568 50 G N 2.223 111.127 108.800 0.174 0.000 2.857 50 G HA2 0.393 4.387 3.960 0.055 0.000 0.326 50 G HA3 0.393 4.387 3.960 0.055 0.000 0.326 50 G C -0.223 174.547 174.900 -0.215 0.000 0.950 50 G CA -0.719 44.389 45.100 0.013 0.000 1.400 50 G HN 0.624 nan 8.290 nan 0.000 0.473 51 N N 0.082 118.545 118.700 -0.396 0.000 2.513 51 N HA 0.372 5.145 4.740 0.055 0.000 0.274 51 N C -0.373 174.956 175.510 -0.301 0.000 1.189 51 N CA -0.869 51.837 53.050 -0.573 0.000 0.975 51 N CB 1.793 39.849 38.487 -0.718 0.000 1.157 51 N HN -0.002 nan 8.380 nan 0.000 0.465 52 V N 1.169 120.894 119.914 -0.314 0.000 2.432 52 V HA 0.084 4.237 4.120 0.055 0.000 0.271 52 V C 0.098 176.097 176.094 -0.159 0.000 1.046 52 V CA -0.403 61.729 62.300 -0.280 0.000 0.945 52 V CB 0.679 32.191 31.823 -0.519 0.000 0.992 52 V HN 0.693 nan 8.190 nan 0.000 0.471 53 K N 5.271 125.609 120.400 -0.103 0.000 2.518 53 K HA 0.499 4.853 4.320 0.055 0.000 0.244 53 K C -0.826 175.755 176.600 -0.032 0.000 1.232 53 K CA 0.071 56.332 56.287 -0.044 0.000 1.189 53 K CB 0.081 32.569 32.500 -0.020 0.000 1.737 53 K HN 0.469 nan 8.250 nan 0.000 0.333 54 L N 0.357 121.565 121.223 -0.026 0.000 2.493 54 L HA 0.401 4.774 4.340 0.055 0.000 0.265 54 L C -1.662 175.227 176.870 0.031 0.000 0.954 54 L CA -0.591 54.249 54.840 -0.001 0.000 0.844 54 L CB 2.083 44.133 42.059 -0.016 0.000 1.302 54 L HN 0.135 nan 8.230 nan 0.000 0.405 55 D N 2.212 122.632 120.400 0.034 0.000 2.441 55 D HA 0.199 4.872 4.640 0.055 0.000 0.221 55 D C 0.901 177.229 176.300 0.046 0.000 1.156 55 D CA 0.298 54.323 54.000 0.041 0.000 0.896 55 D CB 1.109 41.928 40.800 0.032 0.000 1.028 55 D HN 0.697 nan 8.370 nan 0.000 0.509 56 T N -0.011 114.581 114.554 0.064 0.000 3.215 56 T HA -0.000 4.383 4.350 0.055 0.000 0.254 56 T C 0.888 175.606 174.700 0.031 0.000 1.149 56 T CA -0.219 61.920 62.100 0.064 0.000 1.042 56 T CB -0.473 68.455 68.868 0.100 0.000 0.966 56 T HN 0.199 nan 8.240 nan 0.000 0.534 57 T N 2.441 117.008 114.554 0.021 0.000 2.871 57 T HA 0.407 4.790 4.350 0.055 0.000 0.296 57 T C 1.544 176.244 174.700 0.000 0.000 0.998 57 T CA 0.850 62.952 62.100 0.003 0.000 1.162 57 T CB 0.116 68.988 68.868 0.005 0.000 0.947 57 T HN 0.695 nan 8.240 nan 0.000 0.536 58 G N 2.782 111.572 108.800 -0.016 0.000 2.189 58 G HA2 -0.275 3.718 3.960 0.055 0.000 0.267 58 G HA3 -0.275 3.718 3.960 0.055 0.000 0.267 58 G C 0.888 175.786 174.900 -0.003 0.000 0.975 58 G CA 0.428 45.520 45.100 -0.014 0.000 0.644 58 G HN 0.696 nan 8.290 nan 0.000 0.537 59 L N -0.391 120.837 121.223 0.008 0.000 2.478 59 L HA 0.358 4.732 4.340 0.055 0.000 0.223 59 L C 1.157 178.047 176.870 0.033 0.000 1.140 59 L CA 0.664 55.528 54.840 0.039 0.000 0.842 59 L CB -0.028 42.073 42.059 0.070 0.000 0.953 59 L HN 0.292 nan 8.230 nan 0.000 0.452 60 I N -0.954 119.589 120.570 -0.046 0.000 2.582 60 I HA 0.159 4.362 4.170 0.055 0.000 0.292 60 I C -0.152 175.877 176.117 -0.147 0.000 1.066 60 I CA -0.804 60.408 61.300 -0.146 0.000 1.053 60 I CB 2.297 40.081 38.000 -0.359 0.000 1.241 60 I HN -0.120 nan 8.210 nan 0.000 0.421 61 D N 5.183 125.502 120.400 -0.134 0.000 2.548 61 D HA -0.037 4.636 4.640 0.055 0.000 0.231 61 D C 1.146 177.365 176.300 -0.135 0.000 1.142 61 D CA 0.535 54.472 54.000 -0.106 0.000 0.866 61 D CB 1.116 41.865 40.800 -0.084 0.000 1.190 61 D HN 0.511 nan 8.370 nan 0.000 0.469 62 R N 2.893 123.328 120.500 -0.108 0.000 2.105 62 R HA -0.154 4.219 4.340 0.055 0.000 0.239 62 R C 1.854 178.063 176.300 -0.153 0.000 1.135 62 R CA 1.149 57.171 56.100 -0.130 0.000 0.967 62 R CB 0.005 30.244 30.300 -0.101 0.000 0.861 62 R HN 0.451 nan 8.270 nan 0.000 0.442 63 K N 0.206 120.547 120.400 -0.099 0.000 2.486 63 K HA 0.004 4.357 4.320 0.055 0.000 0.194 63 K C 1.612 178.225 176.600 0.023 0.000 1.033 63 K CA 0.418 56.675 56.287 -0.051 0.000 1.004 63 K CB 0.443 32.944 32.500 0.002 0.000 0.798 63 K HN 0.027 nan 8.250 nan 0.000 0.495 64 V N -0.601 119.275 119.914 -0.063 0.000 2.690 64 V HA -0.076 4.077 4.120 0.055 0.000 0.240 64 V C 1.735 177.757 176.094 -0.120 0.000 1.078 64 V CA 0.622 62.883 62.300 -0.065 0.000 1.102 64 V CB 0.500 32.189 31.823 -0.223 0.000 0.800 64 V HN 0.037 nan 8.190 nan 0.000 0.479 65 V N 2.545 122.314 119.914 -0.243 0.000 2.759 65 V HA -0.200 3.953 4.120 0.055 0.000 0.256 65 V C 2.708 178.623 176.094 -0.298 0.000 1.080 65 V CA 2.226 64.362 62.300 -0.275 0.000 1.101 65 V CB -0.657 31.008 31.823 -0.263 0.000 0.698 65 V HN 0.726 nan 8.190 nan 0.000 0.477 66 R N -1.162 119.102 120.500 -0.394 0.000 2.241 66 R HA -0.100 4.273 4.340 0.055 0.000 0.224 66 R C 1.718 177.505 176.300 -0.854 0.000 1.101 66 R CA 2.030 57.709 56.100 -0.702 0.000 0.995 66 R CB -0.622 29.076 30.300 -1.003 0.000 0.870 66 R HN 0.503 nan 8.270 nan 0.000 0.463 67 F N 0.810 120.529 119.950 -0.385 0.000 2.746 67 F HA 0.352 4.907 4.527 0.047 0.000 0.297 67 F C 0.836 176.486 175.800 -0.250 0.000 1.113 67 F CA -0.315 57.547 58.000 -0.230 0.000 1.367 67 F CB 0.220 39.147 39.000 -0.122 0.000 1.111 67 F HN -0.111 nan 8.300 nan 0.000 0.590 68 M N -0.210 119.294 119.600 -0.159 0.000 2.409 68 M HA 0.387 4.901 4.480 0.055 0.000 0.329 68 M C 0.292 176.388 176.300 -0.340 0.000 1.180 68 M CA -0.671 54.507 55.300 -0.202 0.000 1.053 68 M CB 1.568 34.065 32.600 -0.173 0.000 1.586 68 M HN -0.049 nan 8.290 nan 0.000 0.461 69 S N -0.856 114.685 115.700 -0.266 0.000 2.704 69 S HA 0.369 4.872 4.470 0.055 0.000 0.305 69 S C 0.200 174.695 174.600 -0.176 0.000 1.107 69 S CA -0.857 57.213 58.200 -0.217 0.000 0.993 69 S CB 1.286 64.427 63.200 -0.099 0.000 1.110 69 S HN 0.685 nan 8.310 nan 0.000 0.534 70 D N 1.303 121.597 120.400 -0.176 0.000 2.172 70 D HA -0.107 4.566 4.640 0.055 0.000 0.196 70 D C 2.056 177.984 176.300 -0.619 0.000 0.999 70 D CA 1.900 55.603 54.000 -0.496 0.000 0.856 70 D CB -0.725 39.773 40.800 -0.503 0.000 0.934 70 D HN 0.713 nan 8.370 nan 0.000 0.453 71 A N 0.144 122.804 122.820 -0.267 0.000 2.015 71 A HA -0.093 4.261 4.320 0.055 0.000 0.219 71 A C 2.426 179.983 177.584 -0.046 0.000 1.163 71 A CA 1.439 53.411 52.037 -0.109 0.000 0.646 71 A CB -0.231 18.764 19.000 -0.007 0.000 0.806 71 A HN 0.142 nan 8.150 nan 0.000 0.448 72 S N -0.445 115.216 115.700 -0.066 0.000 2.395 72 S HA 0.028 4.532 4.470 0.055 0.000 0.225 72 S C 1.758 176.380 174.600 0.037 0.000 1.027 72 S CA 0.970 59.173 58.200 0.005 0.000 0.965 72 S CB -0.352 62.834 63.200 -0.024 0.000 0.812 72 S HN 0.547 nan 8.310 nan 0.000 0.482 73 I N 0.592 121.115 120.570 -0.079 0.000 2.202 73 I HA -0.191 4.012 4.170 0.055 0.000 0.242 73 I C 1.984 178.209 176.117 0.181 0.000 1.091 73 I CA 1.221 62.510 61.300 -0.018 0.000 1.368 73 I CB -0.412 37.509 38.000 -0.131 0.000 1.058 73 I HN 0.249 nan 8.210 nan 0.000 0.410 74 Y N 0.834 121.175 120.300 0.068 0.000 2.224 74 Y HA -0.166 4.421 4.550 0.062 0.000 0.289 74 Y C 2.615 178.556 175.900 0.068 0.000 1.146 74 Y CA 0.680 58.814 58.100 0.056 0.000 1.182 74 Y CB -1.346 37.127 38.460 0.022 0.000 0.983 74 Y HN 0.145 nan 8.280 nan 0.000 0.524 75 A N -0.943 122.016 122.820 0.231 0.000 1.970 75 A HA -0.107 4.247 4.320 0.055 0.000 0.216 75 A C 2.158 179.837 177.584 0.158 0.000 1.170 75 A CA 0.721 52.846 52.037 0.147 0.000 0.645 75 A CB -1.166 17.899 19.000 0.109 0.000 0.816 75 A HN 0.416 nan 8.150 nan 0.000 0.447 76 F N 0.703 120.710 119.950 0.094 0.000 2.113 76 F HA -0.084 4.476 4.527 0.054 0.000 0.297 76 F C 1.839 177.727 175.800 0.146 0.000 1.103 76 F CA 1.610 59.704 58.000 0.158 0.000 1.248 76 F CB -0.138 38.939 39.000 0.128 0.000 0.999 76 F HN 0.120 nan 8.300 nan 0.000 0.475 77 L N -0.515 120.933 121.223 0.375 0.000 2.131 77 L HA -0.216 4.157 4.340 0.055 0.000 0.210 77 L C 2.427 179.330 176.870 0.055 0.000 1.092 77 L CA 1.273 56.249 54.840 0.226 0.000 0.759 77 L CB -0.887 41.305 42.059 0.222 0.000 0.903 77 L HN 0.117 nan 8.230 nan 0.000 0.435 78 S N -0.404 115.316 115.700 0.035 0.000 2.387 78 S HA -0.161 4.342 4.470 0.055 0.000 0.226 78 S C 1.909 176.431 174.600 -0.131 0.000 1.026 78 S CA 1.263 59.442 58.200 -0.036 0.000 0.972 78 S CB -0.144 63.041 63.200 -0.024 0.000 0.814 78 S HN 0.370 nan 8.310 nan 0.000 0.477 79 M N 1.367 120.829 119.600 -0.229 0.000 2.254 79 M HA -0.047 4.466 4.480 0.055 0.000 0.265 79 M C 1.893 177.864 176.300 -0.549 0.000 1.066 79 M CA 1.305 56.312 55.300 -0.489 0.000 1.123 79 M CB -0.048 32.073 32.600 -0.799 0.000 1.388 79 M HN 0.218 nan 8.290 nan 0.000 0.425 80 E N -0.124 119.863 120.200 -0.356 0.000 2.051 80 E HA -0.244 4.140 4.350 0.055 0.000 0.192 80 E C 2.029 178.549 176.600 -0.134 0.000 0.991 80 E CA 1.647 57.927 56.400 -0.200 0.000 0.799 80 E CB -0.093 29.573 29.700 -0.057 0.000 0.748 80 E HN 0.666 nan 8.360 nan 0.000 0.449 81 Q N 0.046 119.791 119.800 -0.091 0.000 2.084 81 Q HA -0.150 4.223 4.340 0.055 0.000 0.202 81 Q C 2.193 178.162 176.000 -0.051 0.000 0.978 81 Q CA 1.376 57.152 55.803 -0.045 0.000 0.844 81 Q CB -0.172 28.552 28.738 -0.024 0.000 0.898 81 Q HN 0.214 nan 8.270 nan 0.000 0.426 82 A N 0.741 123.506 122.820 -0.092 0.000 1.969 82 A HA -0.147 4.206 4.320 0.055 0.000 0.218 82 A C 2.018 179.581 177.584 -0.034 0.000 1.169 82 A CA 0.946 52.948 52.037 -0.059 0.000 0.635 82 A CB -0.515 18.445 19.000 -0.066 0.000 0.810 82 A HN 0.297 nan 8.150 nan 0.000 0.445 83 I N -0.544 119.953 120.570 -0.123 0.000 2.163 83 I HA -0.263 3.940 4.170 0.055 0.000 0.240 83 I C 3.001 179.102 176.117 -0.027 0.000 1.081 83 I CA 1.074 62.292 61.300 -0.137 0.000 1.353 83 I CB -0.304 37.460 38.000 -0.393 0.000 1.054 83 I HN 0.376 nan 8.210 nan 0.000 0.407 84 A N 0.205 123.015 122.820 -0.017 0.000 1.877 84 A HA -0.306 4.047 4.320 0.055 0.000 0.216 84 A C 1.967 179.580 177.584 0.048 0.000 1.186 84 A CA 2.298 54.351 52.037 0.027 0.000 0.620 84 A CB -0.828 18.187 19.000 0.025 0.000 0.822 84 A HN 0.465 nan 8.150 nan 0.000 0.443 85 D N -0.598 119.836 120.400 0.056 0.000 2.309 85 D HA 0.066 4.739 4.640 0.055 0.000 0.212 85 D C 1.630 178.016 176.300 0.144 0.000 0.968 85 D CA 1.125 55.191 54.000 0.109 0.000 0.882 85 D CB -0.070 40.812 40.800 0.137 0.000 0.918 85 D HN 0.357 nan 8.370 nan 0.000 0.503 86 A N -0.705 122.174 122.820 0.099 0.000 2.147 86 A HA 0.450 4.803 4.320 0.055 0.000 0.211 86 A C 1.820 179.455 177.584 0.085 0.000 1.160 86 A CA 0.727 52.822 52.037 0.096 0.000 0.781 86 A CB -0.306 18.724 19.000 0.050 0.000 0.842 86 A HN 0.394 nan 8.150 nan 0.000 0.475 87 G N -0.759 108.088 108.800 0.078 0.000 2.182 87 G HA2 -0.194 3.800 3.960 0.055 0.000 0.248 87 G HA3 -0.194 3.800 3.960 0.055 0.000 0.248 87 G C -0.113 174.839 174.900 0.087 0.000 1.042 87 G CA 0.377 45.520 45.100 0.072 0.000 0.775 87 G HN 0.441 nan 8.290 nan 0.000 0.501 88 L N 0.501 121.791 121.223 0.111 0.000 2.322 88 L HA 0.701 5.074 4.340 0.055 0.000 0.279 88 L C 0.510 177.530 176.870 0.250 0.000 1.036 88 L CA -0.686 54.263 54.840 0.182 0.000 0.807 88 L CB 1.972 44.153 42.059 0.203 0.000 1.226 88 L HN 0.153 nan 8.230 nan 0.000 0.433 89 S N 2.164 118.018 115.700 0.256 0.000 2.621 89 S HA 0.399 4.902 4.470 0.055 0.000 0.302 89 S C -1.834 172.834 174.600 0.114 0.000 1.093 89 S CA -1.125 57.195 58.200 0.200 0.000 1.017 89 S CB 2.154 65.409 63.200 0.092 0.000 1.077 89 S HN 0.380 nan 8.310 nan 0.000 0.517 90 P HA -0.224 nan 4.420 nan 0.000 0.217 90 P C 1.359 178.439 177.300 -0.366 0.000 1.158 90 P CA 1.260 64.097 63.100 -0.438 0.000 0.887 90 P CB 0.177 31.758 31.700 -0.198 0.000 0.792 91 E N -0.338 119.770 120.200 -0.154 0.000 2.171 91 E HA -0.205 4.178 4.350 0.055 0.000 0.197 91 E C 1.771 178.332 176.600 -0.066 0.000 0.997 91 E CA 1.816 58.158 56.400 -0.097 0.000 0.810 91 E CB -0.969 28.707 29.700 -0.041 0.000 0.738 91 E HN 0.182 nan 8.360 nan 0.000 0.467 92 A N -0.637 122.173 122.820 -0.017 0.000 1.943 92 A HA -0.001 4.353 4.320 0.055 0.000 0.213 92 A C 1.874 179.536 177.584 0.131 0.000 1.181 92 A CA 1.106 53.192 52.037 0.081 0.000 0.653 92 A CB -0.560 18.532 19.000 0.153 0.000 0.833 92 A HN 0.563 nan 8.150 nan 0.000 0.451 93 Y N -1.096 119.254 120.300 0.084 0.000 2.462 93 Y HA 0.432 5.015 4.550 0.055 0.000 0.253 93 Y C 0.675 176.614 175.900 0.064 0.000 1.095 93 Y CA -0.600 57.567 58.100 0.113 0.000 1.283 93 Y CB -0.185 38.421 38.460 0.244 0.000 1.138 93 Y HN 0.184 nan 8.280 nan 0.000 0.522 94 Q N 1.984 121.490 119.800 -0.490 0.000 2.259 94 Q HA 0.177 4.550 4.340 0.055 0.000 0.246 94 Q C -0.267 175.553 176.000 -0.300 0.000 0.920 94 Q CA -0.465 55.125 55.803 -0.356 0.000 0.895 94 Q CB 0.524 29.000 28.738 -0.437 0.000 1.220 94 Q HN 0.376 nan 8.270 nan 0.000 0.439 95 N N 1.781 120.185 118.700 -0.494 0.000 2.727 95 N HA -0.201 4.572 4.740 0.055 0.000 0.249 95 N C -1.113 174.174 175.510 -0.372 0.000 1.048 95 N CA 0.753 53.266 53.050 -0.895 0.000 0.714 95 N CB -1.145 37.038 38.487 -0.507 0.000 0.959 95 N HN 0.567 nan 8.380 nan 0.000 0.544 96 N N 0.094 118.691 118.700 -0.171 0.000 2.524 96 N HA 0.311 5.084 4.740 0.055 0.000 0.261 96 N C -1.952 173.611 175.510 0.089 0.000 0.998 96 N CA -1.865 51.185 53.050 -0.000 0.000 0.915 96 N CB 1.476 39.975 38.487 0.019 0.000 1.187 96 N HN -0.159 nan 8.380 nan 0.000 0.507 97 P HA -0.040 nan 4.420 nan 0.000 0.222 97 P C 0.441 177.777 177.300 0.060 0.000 1.142 97 P CA 1.079 64.246 63.100 0.112 0.000 0.788 97 P CB 0.302 32.055 31.700 0.087 0.000 0.767 98 R N -1.119 119.401 120.500 0.035 0.000 2.388 98 R HA 0.210 4.583 4.340 0.055 0.000 0.247 98 R C -0.376 175.903 176.300 -0.035 0.000 0.931 98 R CA 0.041 56.135 56.100 -0.010 0.000 1.082 98 R CB 0.431 30.713 30.300 -0.031 0.000 1.135 98 R HN 0.069 nan 8.270 nan 0.000 0.525 99 V N 0.458 120.383 119.914 0.019 0.000 2.443 99 V HA 0.516 4.669 4.120 0.055 0.000 0.293 99 V C 0.340 176.481 176.094 0.078 0.000 1.021 99 V CA -0.763 61.556 62.300 0.031 0.000 0.848 99 V CB 1.639 33.544 31.823 0.137 0.000 0.998 99 V HN 0.313 nan 8.190 nan 0.000 0.424 100 G N 3.265 112.076 108.800 0.018 0.000 3.016 100 G HA2 0.856 4.849 3.960 0.055 0.000 0.270 100 G HA3 0.856 4.849 3.960 0.055 0.000 0.270 100 G C -1.562 173.378 174.900 0.067 0.000 1.352 100 G CA -0.787 44.326 45.100 0.022 0.000 1.060 100 G HN 0.732 nan 8.290 nan 0.000 0.538 101 L N -0.437 120.781 121.223 -0.008 0.000 2.562 101 L HA 0.657 5.030 4.340 0.055 0.000 0.266 101 L C -1.594 175.197 176.870 -0.132 0.000 0.949 101 L CA -0.647 54.197 54.840 0.005 0.000 0.879 101 L CB 1.668 43.764 42.059 0.061 0.000 1.278 101 L HN 0.433 nan 8.230 nan 0.000 0.404 102 I N 5.416 125.908 120.570 -0.130 0.000 2.466 102 I HA 0.759 4.962 4.170 0.055 0.000 0.279 102 I C -0.342 175.751 176.117 -0.040 0.000 1.033 102 I CA -0.298 60.906 61.300 -0.160 0.000 1.123 102 I CB 1.605 39.477 38.000 -0.214 0.000 1.237 102 I HN 0.697 nan 8.210 nan 0.000 0.460 103 A N 4.218 127.040 122.820 0.004 0.000 2.556 103 A HA 1.013 5.366 4.320 0.055 0.000 0.294 103 A C -0.551 177.067 177.584 0.057 0.000 1.091 103 A CA -0.490 51.563 52.037 0.026 0.000 0.704 103 A CB 2.065 21.075 19.000 0.018 0.000 1.300 103 A HN 0.746 nan 8.150 nan 0.000 0.406 104 G N -0.587 108.249 108.800 0.059 0.000 2.682 104 G HA2 0.751 4.744 3.960 0.055 0.000 0.303 104 G HA3 0.751 4.744 3.960 0.055 0.000 0.303 104 G C -0.689 174.249 174.900 0.064 0.000 1.341 104 G CA 0.286 45.428 45.100 0.071 0.000 0.784 104 G HN 1.876 nan 8.290 nan 0.000 0.497 105 S N -1.645 114.095 115.700 0.067 0.000 2.599 105 S HA 0.670 5.173 4.470 0.055 0.000 0.287 105 S C 1.090 175.733 174.600 0.071 0.000 1.105 105 S CA 0.315 58.555 58.200 0.065 0.000 0.899 105 S CB 1.649 64.886 63.200 0.063 0.000 1.100 105 S HN 1.586 nan 8.310 nan 0.000 0.482 106 G N 0.326 109.168 108.800 0.070 0.000 2.403 106 G HA2 0.302 4.295 3.960 0.055 0.000 0.216 106 G HA3 0.302 4.295 3.960 0.055 0.000 0.216 106 G C 0.803 175.760 174.900 0.095 0.000 1.154 106 G CA 0.345 45.492 45.100 0.078 0.000 0.784 106 G HN 1.296 nan 8.290 nan 0.000 0.538 107 G N -0.890 107.968 108.800 0.097 0.000 4.250 107 G HA2 0.497 4.490 3.960 0.055 0.000 0.295 107 G HA3 0.497 4.490 3.960 0.055 0.000 0.295 107 G C 1.018 175.966 174.900 0.080 0.000 1.081 107 G CA 0.601 45.760 45.100 0.098 0.000 0.854 107 G HN 0.913 nan 8.290 nan 0.000 0.524 108 G N 0.801 109.644 108.800 0.072 0.000 2.692 108 G HA2 -0.279 3.714 3.960 0.055 0.000 0.339 108 G HA3 -0.279 3.714 3.960 0.055 0.000 0.339 108 G C 0.671 175.615 174.900 0.073 0.000 1.226 108 G CA 1.023 46.163 45.100 0.067 0.000 0.979 108 G HN 1.542 nan 8.290 nan 0.000 0.549 109 S N 1.237 116.989 115.700 0.086 0.000 2.440 109 S HA 0.600 5.103 4.470 0.055 0.000 0.142 109 S C -1.207 173.455 174.600 0.103 0.000 1.578 109 S CA 0.222 58.492 58.200 0.117 0.000 1.260 109 S CB 1.392 64.703 63.200 0.185 0.000 1.407 109 S HN 0.256 nan 8.310 nan 0.000 0.392 110 P HA -0.187 nan 4.420 nan 0.000 0.216 110 P C 1.528 178.791 177.300 -0.063 0.000 1.154 110 P CA 1.019 64.110 63.100 -0.015 0.000 0.865 110 P CB 0.106 31.778 31.700 -0.046 0.000 0.789 111 R N -1.118 119.330 120.500 -0.086 0.000 2.091 111 R HA -0.134 4.239 4.340 0.055 0.000 0.238 111 R C 1.904 178.087 176.300 -0.195 0.000 1.136 111 R CA 1.702 57.682 56.100 -0.199 0.000 0.959 111 R CB -0.991 29.164 30.300 -0.242 0.000 0.856 111 R HN 0.109 nan 8.270 nan 0.000 0.437 112 F N 0.508 120.485 119.950 0.045 0.000 2.512 112 F HA 0.035 4.576 4.527 0.023 0.000 0.296 112 F C 2.554 178.453 175.800 0.165 0.000 1.110 112 F CA 0.516 58.602 58.000 0.142 0.000 1.446 112 F CB 0.053 39.107 39.000 0.089 0.000 1.092 112 F HN 0.063 nan 8.300 nan 0.000 0.554 113 Q N 0.090 120.012 119.800 0.203 0.000 2.079 113 Q HA -0.102 4.271 4.340 0.055 0.000 0.200 113 Q C 2.535 178.571 176.000 0.060 0.000 0.974 113 Q CA 1.279 57.154 55.803 0.120 0.000 0.840 113 Q CB -0.589 28.192 28.738 0.070 0.000 0.898 113 Q HN 0.270 nan 8.270 nan 0.000 0.430 114 V N 0.742 120.667 119.914 0.019 0.000 2.548 114 V HA -0.189 3.964 4.120 0.055 0.000 0.249 114 V C 1.997 178.089 176.094 -0.003 0.000 1.055 114 V CA 1.378 63.670 62.300 -0.013 0.000 1.065 114 V CB -0.724 31.057 31.823 -0.069 0.000 0.681 114 V HN 0.241 nan 8.190 nan 0.000 0.462 115 F N 2.245 122.153 119.950 -0.071 0.000 2.186 115 F HA 0.066 4.616 4.527 0.039 0.000 0.299 115 F C 2.111 177.922 175.800 0.018 0.000 1.090 115 F CA 1.472 59.437 58.000 -0.058 0.000 1.307 115 F CB -0.782 38.118 39.000 -0.167 0.000 1.019 115 F HN 0.114 nan 8.300 nan 0.000 0.489 116 G N 0.158 108.848 108.800 -0.183 0.000 2.433 116 G HA2 -0.228 3.765 3.960 0.055 0.000 0.216 116 G HA3 -0.228 3.765 3.960 0.055 0.000 0.216 116 G C 1.868 176.625 174.900 -0.238 0.000 1.186 116 G CA 1.002 45.969 45.100 -0.222 0.000 0.779 116 G HN 0.613 nan 8.290 nan 0.000 0.543 117 A N 1.116 123.860 122.820 -0.127 0.000 1.883 117 A HA -0.111 4.242 4.320 0.055 0.000 0.217 117 A C 2.119 179.628 177.584 -0.125 0.000 1.186 117 A CA 2.291 54.273 52.037 -0.093 0.000 0.624 117 A CB -0.590 18.384 19.000 -0.043 0.000 0.822 117 A HN 0.297 nan 8.150 nan 0.000 0.444 118 D N -0.120 120.189 120.400 -0.152 0.000 2.117 118 D HA -0.050 4.623 4.640 0.055 0.000 0.197 118 D C 2.217 178.403 176.300 -0.190 0.000 0.987 118 D CA 1.592 55.513 54.000 -0.131 0.000 0.829 118 D CB -0.424 40.323 40.800 -0.088 0.000 0.961 118 D HN 0.439 nan 8.370 nan 0.000 0.460 119 A N 0.442 123.035 122.820 -0.378 0.000 1.897 119 A HA -0.122 4.231 4.320 0.055 0.000 0.215 119 A C 2.125 179.590 177.584 -0.199 0.000 1.181 119 A CA 1.480 53.300 52.037 -0.362 0.000 0.620 119 A CB -0.477 18.091 19.000 -0.720 0.000 0.821 119 A HN 0.153 nan 8.150 nan 0.000 0.443 120 M N 0.070 119.558 119.600 -0.187 0.000 2.159 120 M HA -0.068 4.446 4.480 0.055 0.000 0.263 120 M C 1.770 178.026 176.300 -0.073 0.000 1.063 120 M CA 1.510 56.747 55.300 -0.105 0.000 1.110 120 M CB -0.446 32.102 32.600 -0.087 0.000 1.374 120 M HN 0.337 nan 8.290 nan 0.000 0.411 121 R N 0.163 120.619 120.500 -0.073 0.000 2.323 121 R HA 0.174 4.548 4.340 0.055 0.000 0.198 121 R C 0.844 177.121 176.300 -0.038 0.000 0.988 121 R CA 0.284 56.356 56.100 -0.046 0.000 1.041 121 R CB -0.536 29.742 30.300 -0.038 0.000 0.926 121 R HN 0.471 nan 8.270 nan 0.000 0.476 122 G N 0.790 109.562 108.800 -0.046 0.000 2.522 122 G HA2 0.170 4.163 3.960 0.055 0.000 0.304 122 G HA3 0.170 4.163 3.960 0.055 0.000 0.304 122 G C -1.562 173.325 174.900 -0.022 0.000 1.210 122 G CA -1.117 43.965 45.100 -0.030 0.000 0.960 122 G HN -0.095 nan 8.290 nan 0.000 0.497 123 P HA -0.078 nan 4.420 nan 0.000 0.225 123 P C 1.122 178.418 177.300 -0.007 0.000 1.148 123 P CA 0.740 63.836 63.100 -0.008 0.000 0.779 123 P CB 0.373 32.071 31.700 -0.003 0.000 0.780 124 R N -0.806 119.689 120.500 -0.008 0.000 2.280 124 R HA 0.158 4.531 4.340 0.055 0.000 0.195 124 R C 1.775 178.068 176.300 -0.012 0.000 0.935 124 R CA 0.670 56.767 56.100 -0.004 0.000 1.033 124 R CB -0.497 29.806 30.300 0.006 0.000 0.964 124 R HN 0.197 nan 8.270 nan 0.000 0.489 125 G N 2.249 111.034 108.800 -0.024 0.000 2.684 125 G HA2 -0.391 3.602 3.960 0.055 0.000 0.332 125 G HA3 -0.391 3.602 3.960 0.055 0.000 0.332 125 G C 0.985 175.866 174.900 -0.032 0.000 1.306 125 G CA 0.701 45.781 45.100 -0.032 0.000 1.002 125 G HN 0.249 nan 8.290 nan 0.000 0.545 126 L N 0.386 121.595 121.223 -0.024 0.000 2.089 126 L HA -0.167 4.206 4.340 0.055 0.000 0.213 126 L C 2.986 179.850 176.870 -0.010 0.000 1.079 126 L CA 2.378 57.206 54.840 -0.019 0.000 0.758 126 L CB -0.571 41.478 42.059 -0.017 0.000 0.891 126 L HN 0.532 nan 8.230 nan 0.000 0.433 127 K N -0.031 120.366 120.400 -0.005 0.000 2.211 127 K HA -0.089 4.264 4.320 0.055 0.000 0.203 127 K C 2.188 178.806 176.600 0.029 0.000 1.050 127 K CA 1.202 57.493 56.287 0.007 0.000 0.945 127 K CB -0.168 32.336 32.500 0.007 0.000 0.732 127 K HN 0.327 nan 8.250 nan 0.000 0.451 128 A N 0.908 123.741 122.820 0.021 0.000 1.975 128 A HA -0.027 4.326 4.320 0.055 0.000 0.215 128 A C 2.314 179.941 177.584 0.071 0.000 1.170 128 A CA 0.641 52.706 52.037 0.047 0.000 0.656 128 A CB -0.293 18.706 19.000 -0.003 0.000 0.821 128 A HN 0.023 nan 8.150 nan 0.000 0.449 129 V N -0.326 119.590 119.914 0.003 0.000 2.261 129 V HA 0.154 4.308 4.120 0.055 0.000 0.246 129 V C 1.598 177.803 176.094 0.184 0.000 1.047 129 V CA 1.404 63.722 62.300 0.030 0.000 1.015 129 V CB -1.775 30.040 31.823 -0.013 0.000 0.642 129 V HN 1.264 nan 8.190 nan 0.000 0.446 130 G N 0.220 109.071 108.800 0.086 0.000 2.730 130 G HA2 -0.120 3.873 3.960 0.055 0.000 0.686 130 G HA3 -0.120 3.873 3.960 0.055 0.000 0.686 130 G C -1.766 173.095 174.900 -0.064 0.000 1.343 130 G CA -0.114 45.007 45.100 0.035 0.000 0.826 130 G HN 0.321 nan 8.290 nan 0.000 0.582 131 P HA 0.214 nan 4.420 nan 0.000 0.256 131 P C -0.034 176.989 177.300 -0.462 0.000 1.384 131 P CA 0.585 63.458 63.100 -0.379 0.000 0.879 131 P CB -0.058 31.353 31.700 -0.482 0.000 1.403 132 Y N -1.506 118.772 120.300 -0.036 0.000 2.612 132 Y HA 0.138 4.717 4.550 0.048 0.000 0.250 132 Y C 2.047 177.919 175.900 -0.047 0.000 1.175 132 Y CA -0.204 57.832 58.100 -0.106 0.000 1.205 132 Y CB -0.007 38.283 38.460 -0.283 0.000 1.201 132 Y HN -0.249 nan 8.280 nan 0.000 0.532 133 V N -1.801 118.200 119.914 0.145 0.000 2.535 133 V HA -0.150 4.003 4.120 0.055 0.000 0.246 133 V C 2.089 178.251 176.094 0.114 0.000 1.045 133 V CA 1.077 63.469 62.300 0.154 0.000 1.058 133 V CB -0.541 31.424 31.823 0.237 0.000 0.689 133 V HN 0.183 nan 8.190 nan 0.000 0.461 134 V N 1.617 121.594 119.914 0.103 0.000 2.250 134 V HA -0.337 3.816 4.120 0.055 0.000 0.250 134 V C 2.867 179.012 176.094 0.086 0.000 1.060 134 V CA 2.938 65.290 62.300 0.088 0.000 1.030 134 V CB -1.245 30.625 31.823 0.077 0.000 0.643 134 V HN 0.828 nan 8.190 nan 0.000 0.445 135 T N -2.238 112.385 114.554 0.116 0.000 2.962 135 T HA -0.170 4.213 4.350 0.055 0.000 0.270 135 T C 1.686 176.407 174.700 0.036 0.000 1.088 135 T CA 1.329 63.490 62.100 0.102 0.000 1.127 135 T CB -0.239 68.749 68.868 0.199 0.000 0.883 135 T HN 0.510 nan 8.240 nan 0.000 0.493 136 K N 1.059 121.446 120.400 -0.022 0.000 2.137 136 K HA 0.377 4.730 4.320 0.055 0.000 0.202 136 K C 2.711 179.314 176.600 0.005 0.000 1.052 136 K CA 0.855 57.062 56.287 -0.132 0.000 0.961 136 K CB -0.154 32.060 32.500 -0.477 0.000 0.741 136 K HN 0.384 nan 8.250 nan 0.000 0.452 137 A N 2.102 124.966 122.820 0.073 0.000 1.975 137 A HA 0.044 4.397 4.320 0.055 0.000 0.215 137 A C 1.295 178.924 177.584 0.076 0.000 1.170 137 A CA 0.115 52.216 52.037 0.108 0.000 0.656 137 A CB -0.502 18.576 19.000 0.130 0.000 0.821 137 A HN 0.332 nan 8.150 nan 0.000 0.449 138 M N -1.501 118.137 119.600 0.063 0.000 2.249 138 M HA 0.448 4.961 4.480 0.055 0.000 0.340 138 M C 0.943 177.276 176.300 0.054 0.000 1.166 138 M CA 0.425 55.758 55.300 0.055 0.000 1.115 138 M CB 0.436 33.066 32.600 0.051 0.000 1.606 138 M HN 0.076 nan 8.290 nan 0.000 0.448 139 A N 2.251 125.103 122.820 0.053 0.000 2.024 139 A HA -0.110 4.243 4.320 0.055 0.000 0.220 139 A C 2.038 179.657 177.584 0.059 0.000 1.164 139 A CA 1.928 53.999 52.037 0.056 0.000 0.643 139 A CB -0.865 18.167 19.000 0.052 0.000 0.806 139 A HN 1.015 nan 8.150 nan 0.000 0.451 140 S N -1.056 114.679 115.700 0.058 0.000 2.614 140 S HA 0.316 4.819 4.470 0.055 0.000 0.230 140 S C 1.596 176.230 174.600 0.058 0.000 0.952 140 S CA 0.579 58.819 58.200 0.066 0.000 0.949 140 S CB -0.242 63.000 63.200 0.070 0.000 0.786 140 S HN 0.546 nan 8.310 nan 0.000 0.478 141 G N 1.962 110.792 108.800 0.050 0.000 2.469 141 G HA2 -0.172 3.821 3.960 0.055 0.000 0.219 141 G HA3 -0.172 3.821 3.960 0.055 0.000 0.219 141 G C 1.285 176.211 174.900 0.043 0.000 1.150 141 G CA 1.130 46.253 45.100 0.039 0.000 0.763 141 G HN 0.479 nan 8.290 nan 0.000 0.561 142 V N 1.653 121.598 119.914 0.051 0.000 2.407 142 V HA -0.189 3.964 4.120 0.055 0.000 0.248 142 V C 3.208 179.345 176.094 0.071 0.000 1.055 142 V CA 2.403 64.740 62.300 0.061 0.000 1.049 142 V CB -0.212 31.647 31.823 0.060 0.000 0.662 142 V HN 0.626 nan 8.190 nan 0.000 0.455 143 S N 0.221 115.961 115.700 0.067 0.000 2.425 143 S HA 0.067 4.570 4.470 0.055 0.000 0.225 143 S C 2.075 176.714 174.600 0.064 0.000 1.024 143 S CA 0.849 59.087 58.200 0.063 0.000 0.951 143 S CB -0.164 63.074 63.200 0.064 0.000 0.796 143 S HN 0.503 nan 8.310 nan 0.000 0.498 144 A N 1.062 123.916 122.820 0.055 0.000 1.873 144 A HA -0.026 4.327 4.320 0.055 0.000 0.215 144 A C 2.305 179.903 177.584 0.024 0.000 1.186 144 A CA 1.421 53.478 52.037 0.034 0.000 0.616 144 A CB -1.446 17.566 19.000 0.021 0.000 0.823 144 A HN 0.666 nan 8.150 nan 0.000 0.442 145 C N -0.916 118.407 119.300 0.038 0.000 2.491 145 C HA 0.138 4.631 4.460 0.055 0.000 0.277 145 C C 2.099 177.167 174.990 0.129 0.000 1.455 145 C CA 0.686 59.728 59.018 0.040 0.000 1.758 145 C CB -1.311 26.449 27.740 0.034 0.000 1.745 145 C HN 0.514 nan 8.230 nan 0.000 0.558 146 L N -0.177 121.154 121.223 0.180 0.000 2.547 146 L HA 0.296 4.669 4.340 0.055 0.000 0.218 146 L C 2.532 179.583 176.870 0.301 0.000 1.048 146 L CA 1.357 56.399 54.840 0.336 0.000 0.859 146 L CB -1.185 41.050 42.059 0.294 0.000 1.128 146 L HN 0.129 nan 8.230 nan 0.000 0.483 147 A N -0.888 122.032 122.820 0.166 0.000 1.969 147 A HA -0.129 4.224 4.320 0.055 0.000 0.218 147 A C 2.248 179.906 177.584 0.123 0.000 1.169 147 A CA 2.220 54.343 52.037 0.143 0.000 0.635 147 A CB -0.802 18.251 19.000 0.089 0.000 0.810 147 A HN 0.384 nan 8.150 nan 0.000 0.445 148 T N 0.611 115.204 114.554 0.065 0.000 2.668 148 T HA -0.066 4.317 4.350 0.055 0.000 0.262 148 T C -0.056 174.645 174.700 0.000 0.000 1.045 148 T CA 1.620 63.725 62.100 0.009 0.000 1.152 148 T CB -1.067 67.754 68.868 -0.079 0.000 0.864 148 T HN 0.491 nan 8.240 nan 0.000 0.419 149 P HA -0.020 nan 4.420 nan 0.000 0.217 149 P C 0.902 178.093 177.300 -0.181 0.000 1.150 149 P CA 1.130 64.161 63.100 -0.114 0.000 0.832 149 P CB -0.279 31.350 31.700 -0.118 0.000 0.787 150 F N 0.631 120.622 119.950 0.068 0.000 2.804 150 F HA 0.141 4.700 4.527 0.052 0.000 0.303 150 F C 1.059 176.895 175.800 0.060 0.000 1.154 150 F CA 0.130 58.162 58.000 0.053 0.000 1.401 150 F CB -0.499 38.465 39.000 -0.060 0.000 1.106 150 F HN -0.169 nan 8.300 nan 0.000 0.568 151 K N 0.448 120.932 120.400 0.140 0.000 3.035 151 K HA -0.212 4.141 4.320 0.055 0.000 0.262 151 K C -0.295 176.382 176.600 0.127 0.000 1.024 151 K CA 0.059 56.402 56.287 0.094 0.000 0.748 151 K CB -2.034 30.453 32.500 -0.022 0.000 1.247 151 K HN 0.169 nan 8.250 nan 0.000 0.482 152 I N 1.082 121.778 120.570 0.209 0.000 2.648 152 I HA -0.041 4.162 4.170 0.055 0.000 0.284 152 I C 1.872 178.179 176.117 0.316 0.000 1.153 152 I CA 0.684 62.118 61.300 0.224 0.000 1.426 152 I CB 0.283 38.396 38.000 0.188 0.000 1.381 152 I HN 0.256 nan 8.210 nan 0.000 0.571 153 H N 3.021 122.134 119.070 0.071 0.000 3.046 153 H HA 0.175 4.764 4.556 0.055 0.000 0.262 153 H C 1.297 176.644 175.328 0.032 0.000 1.044 153 H CA 0.106 56.179 56.048 0.042 0.000 1.209 153 H CB 1.437 31.219 29.762 0.033 0.000 1.507 153 H HN 0.775 nan 8.280 nan 0.000 0.507 154 G N 0.764 109.648 108.800 0.140 0.000 2.783 154 G HA2 0.135 4.129 3.960 0.055 0.000 0.182 154 G HA3 0.135 4.129 3.960 0.055 0.000 0.182 154 G C -0.189 174.727 174.900 0.026 0.000 1.516 154 G CA -0.313 44.826 45.100 0.064 0.000 1.079 154 G HN 0.075 nan 8.290 nan 0.000 0.573 155 V N 1.104 121.004 119.914 -0.023 0.000 2.788 155 V HA 0.324 4.477 4.120 0.055 0.000 0.307 155 V C -0.383 175.619 176.094 -0.154 0.000 1.069 155 V CA 0.261 62.505 62.300 -0.092 0.000 1.173 155 V CB 1.111 32.826 31.823 -0.180 0.000 0.925 155 V HN 0.767 nan 8.190 nan 0.000 0.492 156 N N 5.709 124.318 118.700 -0.151 0.000 2.701 156 N HA 0.402 5.175 4.740 0.055 0.000 0.258 156 N C -1.265 174.254 175.510 0.015 0.000 1.262 156 N CA -0.445 52.549 53.050 -0.094 0.000 0.780 156 N CB 0.863 39.358 38.487 0.014 0.000 1.380 156 N HN 0.721 nan 8.380 nan 0.000 0.548 157 Y N -1.252 119.068 120.300 0.034 0.000 2.725 157 Y HA 0.726 5.306 4.550 0.051 0.000 0.333 157 Y C -1.199 174.720 175.900 0.031 0.000 1.242 157 Y CA -1.200 56.917 58.100 0.029 0.000 1.059 157 Y CB 0.658 39.132 38.460 0.022 0.000 1.306 157 Y HN 0.053 nan 8.280 nan 0.000 0.454 158 S N 1.529 117.433 115.700 0.340 0.000 2.500 158 S HA 0.617 5.120 4.470 0.055 0.000 0.301 158 S C -0.847 173.886 174.600 0.222 0.000 1.092 158 S CA -0.679 57.655 58.200 0.223 0.000 1.030 158 S CB 1.194 64.473 63.200 0.131 0.000 1.031 158 S HN 0.533 nan 8.310 nan 0.000 0.483 159 I N 2.335 123.025 120.570 0.201 0.000 2.428 159 I HA 0.360 4.563 4.170 0.055 0.000 0.296 159 I C -0.089 176.096 176.117 0.114 0.000 0.985 159 I CA -0.136 61.251 61.300 0.144 0.000 1.260 159 I CB 1.594 39.696 38.000 0.170 0.000 1.389 159 I HN 0.495 nan 8.210 nan 0.000 0.484 160 S N 3.157 118.907 115.700 0.084 0.000 2.561 160 S HA 0.436 4.939 4.470 0.055 0.000 0.303 160 S C -0.230 174.422 174.600 0.087 0.000 1.110 160 S CA -0.635 57.617 58.200 0.087 0.000 1.034 160 S CB 1.599 64.842 63.200 0.071 0.000 1.010 160 S HN 0.710 nan 8.310 nan 0.000 0.482 161 S N 0.910 116.685 115.700 0.126 0.000 2.686 161 S HA 0.663 5.166 4.470 0.055 0.000 0.223 161 S C 0.517 175.206 174.600 0.148 0.000 0.885 161 S CA -0.025 58.263 58.200 0.145 0.000 1.115 161 S CB -0.196 63.139 63.200 0.226 0.000 1.459 161 S HN 1.626 nan 8.310 nan 0.000 0.444 162 A N 0.705 123.592 122.820 0.112 0.000 5.295 162 A HA -0.322 4.031 4.320 0.055 0.000 0.313 162 A C 1.581 179.178 177.584 0.021 0.000 1.912 162 A CA 1.151 53.232 52.037 0.073 0.000 0.714 162 A CB -2.153 16.892 19.000 0.076 0.000 1.319 162 A HN 1.428 nan 8.150 nan 0.000 0.375 163 C N 0.513 119.783 119.300 -0.049 0.000 2.539 163 C HA 0.470 4.963 4.460 0.055 0.000 0.271 163 C C 2.396 177.395 174.990 0.016 0.000 1.412 163 C CA 0.934 59.923 59.018 -0.048 0.000 1.729 163 C CB -1.648 26.020 27.740 -0.121 0.000 1.739 163 C HN 1.400 nan 8.230 nan 0.000 0.570 164 A N -0.269 122.587 122.820 0.061 0.000 2.470 164 A HA 0.186 4.540 4.320 0.055 0.000 0.251 164 A C 1.789 179.420 177.584 0.078 0.000 1.245 164 A CA 0.457 52.511 52.037 0.027 0.000 0.932 164 A CB -0.507 18.535 19.000 0.071 0.000 1.037 164 A HN 0.394 nan 8.150 nan 0.000 0.522 165 T N 1.453 116.077 114.554 0.118 0.000 2.564 165 T HA -0.265 4.118 4.350 0.055 0.000 0.264 165 T C 2.288 177.043 174.700 0.092 0.000 1.100 165 T CA 2.701 64.880 62.100 0.132 0.000 1.171 165 T CB -0.430 68.490 68.868 0.087 0.000 0.863 165 T HN 0.824 nan 8.240 nan 0.000 0.430 166 S N 1.366 117.081 115.700 0.024 0.000 2.481 166 S HA 0.215 4.718 4.470 0.055 0.000 0.231 166 S C 2.253 176.818 174.600 -0.059 0.000 0.996 166 S CA 0.738 58.930 58.200 -0.015 0.000 0.942 166 S CB -0.361 62.816 63.200 -0.038 0.000 0.768 166 S HN 0.548 nan 8.310 nan 0.000 0.520 167 A N 1.604 124.367 122.820 -0.095 0.000 1.930 167 A HA 0.056 4.410 4.320 0.055 0.000 0.215 167 A C 1.887 179.379 177.584 -0.154 0.000 1.176 167 A CA 1.193 53.136 52.037 -0.155 0.000 0.632 167 A CB -0.927 17.949 19.000 -0.207 0.000 0.819 167 A HN 0.672 nan 8.150 nan 0.000 0.445 168 H N -1.450 117.644 119.070 0.040 0.000 2.428 168 H HA -0.101 4.488 4.556 0.054 0.000 0.296 168 H C 2.158 177.470 175.328 -0.026 0.000 1.062 168 H CA 1.348 57.437 56.048 0.068 0.000 1.350 168 H CB -0.186 29.654 29.762 0.131 0.000 1.403 168 H HN 0.539 nan 8.280 nan 0.000 0.533 169 C N 0.377 119.722 119.300 0.075 0.000 2.432 169 C HA -0.145 4.348 4.460 0.055 0.000 0.277 169 C C 2.672 177.613 174.990 -0.082 0.000 1.249 169 C CA 0.810 59.842 59.018 0.024 0.000 1.725 169 C CB -0.859 26.889 27.740 0.014 0.000 2.028 169 C HN 0.529 nan 8.230 nan 0.000 0.477 170 I N 1.394 121.880 120.570 -0.141 0.000 2.163 170 I HA -0.139 4.064 4.170 0.055 0.000 0.243 170 I C 2.794 178.699 176.117 -0.353 0.000 1.085 170 I CA 1.938 63.111 61.300 -0.211 0.000 1.347 170 I CB -1.190 36.690 38.000 -0.200 0.000 1.044 170 I HN 0.452 nan 8.210 nan 0.000 0.408 171 G N 0.837 109.266 108.800 -0.617 0.000 2.440 171 G HA2 -0.309 3.684 3.960 0.055 0.000 0.218 171 G HA3 -0.309 3.684 3.960 0.055 0.000 0.218 171 G C 1.507 175.968 174.900 -0.732 0.000 1.154 171 G CA 0.907 45.129 45.100 -1.462 0.000 0.767 171 G HN 0.358 nan 8.290 nan 0.000 0.552 172 N N 1.151 119.679 118.700 -0.288 0.000 2.188 172 N HA -0.049 4.724 4.740 0.055 0.000 0.184 172 N C 2.544 178.022 175.510 -0.053 0.000 1.018 172 N CA 1.170 54.203 53.050 -0.028 0.000 0.858 172 N CB -0.167 38.386 38.487 0.111 0.000 0.989 172 N HN 0.249 nan 8.380 nan 0.000 0.426 173 A N 0.764 123.514 122.820 -0.117 0.000 1.902 173 A HA -0.072 4.281 4.320 0.055 0.000 0.217 173 A C 2.526 180.039 177.584 -0.119 0.000 1.181 173 A CA 1.283 53.246 52.037 -0.124 0.000 0.623 173 A CB -0.819 18.089 19.000 -0.153 0.000 0.818 173 A HN 0.153 nan 8.150 nan 0.000 0.443 174 V N 0.618 120.443 119.914 -0.149 0.000 2.287 174 V HA -0.310 3.843 4.120 0.055 0.000 0.248 174 V C 2.429 178.496 176.094 -0.044 0.000 1.053 174 V CA 2.379 64.616 62.300 -0.105 0.000 1.027 174 V CB -0.990 30.763 31.823 -0.116 0.000 0.646 174 V HN 0.691 nan 8.190 nan 0.000 0.447 175 E N -0.490 119.701 120.200 -0.015 0.000 2.118 175 E HA -0.279 4.104 4.350 0.055 0.000 0.195 175 E C 2.297 178.908 176.600 0.019 0.000 0.992 175 E CA 1.202 57.626 56.400 0.040 0.000 0.804 175 E CB -0.255 29.501 29.700 0.093 0.000 0.741 175 E HN 0.558 nan 8.360 nan 0.000 0.458 176 Q N 0.439 120.238 119.800 -0.001 0.000 2.061 176 Q HA -0.165 4.208 4.340 0.055 0.000 0.204 176 Q C 2.317 178.301 176.000 -0.027 0.000 0.984 176 Q CA 1.092 56.889 55.803 -0.009 0.000 0.846 176 Q CB -0.314 28.402 28.738 -0.037 0.000 0.902 176 Q HN 0.284 nan 8.270 nan 0.000 0.421 177 I N 1.312 121.854 120.570 -0.047 0.000 2.179 177 I HA -0.265 3.938 4.170 0.055 0.000 0.242 177 I C 2.394 178.496 176.117 -0.025 0.000 1.088 177 I CA 1.379 62.648 61.300 -0.052 0.000 1.357 177 I CB -0.754 37.205 38.000 -0.070 0.000 1.051 177 I HN 0.248 nan 8.210 nan 0.000 0.409 178 Q N -0.304 119.490 119.800 -0.010 0.000 2.135 178 Q HA -0.173 4.200 4.340 0.055 0.000 0.204 178 Q C 2.145 178.150 176.000 0.009 0.000 0.981 178 Q CA 1.258 57.065 55.803 0.006 0.000 0.856 178 Q CB -0.329 28.423 28.738 0.023 0.000 0.902 178 Q HN 0.453 nan 8.270 nan 0.000 0.425 179 L N -0.293 120.936 121.223 0.010 0.000 2.610 179 L HA 0.049 4.422 4.340 0.055 0.000 0.232 179 L C 1.043 177.916 176.870 0.006 0.000 1.149 179 L CA 0.351 55.199 54.840 0.013 0.000 0.872 179 L CB -0.220 41.851 42.059 0.020 0.000 0.992 179 L HN 0.455 nan 8.230 nan 0.000 0.447 180 G N -0.012 108.786 108.800 -0.002 0.000 2.168 180 G HA2 -0.337 3.656 3.960 0.055 0.000 0.257 180 G HA3 -0.337 3.656 3.960 0.055 0.000 0.257 180 G C 1.051 175.946 174.900 -0.009 0.000 0.997 180 G CA 0.663 45.759 45.100 -0.006 0.000 0.708 180 G HN 0.399 nan 8.290 nan 0.000 0.520 181 K N -0.991 119.403 120.400 -0.009 0.000 2.262 181 K HA 0.092 4.445 4.320 0.055 0.000 0.200 181 K C 0.908 177.495 176.600 -0.023 0.000 1.049 181 K CA 0.787 57.070 56.287 -0.007 0.000 0.979 181 K CB 0.096 32.599 32.500 0.006 0.000 0.773 181 K HN 0.445 nan 8.250 nan 0.000 0.474 182 Q N -0.166 119.606 119.800 -0.046 0.000 2.359 182 Q HA 0.143 4.517 4.340 0.055 0.000 0.274 182 Q C -0.525 175.401 176.000 -0.123 0.000 1.074 182 Q CA -0.317 55.440 55.803 -0.077 0.000 0.810 182 Q CB 2.078 30.766 28.738 -0.084 0.000 1.342 182 Q HN -0.002 nan 8.270 nan 0.000 0.427 183 D N 0.631 120.922 120.400 -0.183 0.000 2.240 183 D HA 0.216 4.889 4.640 0.055 0.000 0.206 183 D C 0.265 176.350 176.300 -0.357 0.000 0.963 183 D CA 0.955 54.768 54.000 -0.311 0.000 0.863 183 D CB 1.086 41.563 40.800 -0.539 0.000 0.973 183 D HN 0.388 nan 8.370 nan 0.000 0.501 184 I N 0.368 120.753 120.570 -0.308 0.000 2.722 184 I HA 0.237 4.440 4.170 0.055 0.000 0.295 184 I C -1.202 174.718 176.117 -0.329 0.000 1.161 184 I CA -0.757 60.333 61.300 -0.349 0.000 1.032 184 I CB 3.381 41.139 38.000 -0.404 0.000 1.244 184 I HN -0.419 nan 8.210 nan 0.000 0.421 185 V N 5.392 125.064 119.914 -0.404 0.000 2.612 185 V HA 0.375 4.528 4.120 0.055 0.000 0.301 185 V C -0.855 174.983 176.094 -0.427 0.000 1.059 185 V CA -0.584 61.525 62.300 -0.319 0.000 0.886 185 V CB 1.747 33.449 31.823 -0.202 0.000 1.007 185 V HN 0.381 nan 8.190 nan 0.000 0.426 186 F N 3.417 123.260 119.950 -0.178 0.000 2.445 186 F HA 0.687 5.247 4.527 0.055 0.000 0.359 186 F C 0.747 176.441 175.800 -0.178 0.000 1.101 186 F CA -0.019 57.856 58.000 -0.208 0.000 1.177 186 F CB 1.156 39.992 39.000 -0.273 0.000 1.110 186 F HN 0.574 nan 8.300 nan 0.000 0.522 187 A N 2.601 125.394 122.820 -0.045 0.000 2.356 187 A HA 0.915 5.268 4.320 0.055 0.000 0.310 187 A C 0.069 177.612 177.584 -0.068 0.000 1.075 187 A CA 0.147 52.141 52.037 -0.070 0.000 0.746 187 A CB 1.342 20.272 19.000 -0.117 0.000 1.221 187 A HN 1.031 nan 8.150 nan 0.000 0.443 188 G N 0.196 108.966 108.800 -0.050 0.000 2.591 188 G HA2 0.713 4.706 3.960 0.055 0.000 0.104 188 G HA3 0.713 4.706 3.960 0.055 0.000 0.104 188 G C 0.134 175.022 174.900 -0.020 0.000 1.097 188 G CA 0.673 45.742 45.100 -0.052 0.000 1.076 188 G HN 2.557 nan 8.290 nan 0.000 0.485 189 G N -2.029 106.765 108.800 -0.010 0.000 2.345 189 G HA2 0.741 4.735 3.960 0.055 0.000 0.285 189 G HA3 0.741 4.735 3.960 0.055 0.000 0.285 189 G C -0.314 174.611 174.900 0.041 0.000 1.297 189 G CA 0.917 46.030 45.100 0.021 0.000 0.875 189 G HN 2.261 nan 8.290 nan 0.000 0.506 190 G N -1.430 107.408 108.800 0.063 0.000 2.645 190 G HA2 0.746 4.739 3.960 0.055 0.000 0.292 190 G HA3 0.746 4.739 3.960 0.055 0.000 0.292 190 G C -1.879 173.080 174.900 0.099 0.000 1.415 190 G CA 0.172 45.334 45.100 0.103 0.000 0.785 190 G HN 0.953 nan 8.290 nan 0.000 0.483 191 E N -0.392 119.896 120.200 0.146 0.000 2.397 191 E HA 0.346 4.730 4.350 0.055 0.000 0.293 191 E C -0.343 176.348 176.600 0.152 0.000 0.930 191 E CA -0.623 55.846 56.400 0.116 0.000 0.793 191 E CB 1.356 31.112 29.700 0.093 0.000 1.259 191 E HN 0.728 nan 8.360 nan 0.000 0.406 192 E N 3.079 123.323 120.200 0.073 0.000 2.369 192 E HA 0.440 4.823 4.350 0.055 0.000 0.255 192 E C -0.744 175.912 176.600 0.094 0.000 1.172 192 E CA -0.846 55.583 56.400 0.048 0.000 0.932 192 E CB 1.187 30.881 29.700 -0.009 0.000 1.040 192 E HN 0.249 nan 8.360 nan 0.000 0.454 193 L N 1.998 123.266 121.223 0.076 0.000 2.372 193 L HA 0.462 4.835 4.340 0.055 0.000 0.274 193 L C -1.387 175.546 176.870 0.105 0.000 0.988 193 L CA -0.366 54.506 54.840 0.054 0.000 0.833 193 L CB 1.004 42.980 42.059 -0.139 0.000 1.236 193 L HN 0.946 nan 8.230 nan 0.000 0.410 194 C N 2.101 121.520 119.300 0.197 0.000 3.285 194 C HA 0.485 4.978 4.460 0.055 0.000 0.325 194 C C 1.133 176.232 174.990 0.180 0.000 1.304 194 C CA -0.875 58.252 59.018 0.182 0.000 1.319 194 C CB 0.759 28.464 27.740 -0.058 0.000 1.640 194 C HN 1.054 nan 8.230 nan 0.000 0.477 195 W N 1.001 122.413 121.300 0.188 0.000 2.388 195 W HA 0.002 4.715 4.660 0.087 0.000 0.294 195 W C 1.124 177.710 176.519 0.112 0.000 1.212 195 W CA 1.864 59.277 57.345 0.113 0.000 1.271 195 W CB -1.296 28.185 29.460 0.036 0.000 1.126 195 W HN 0.864 nan 8.180 nan 0.000 0.535 196 E N 0.906 120.433 120.200 -1.122 0.000 2.136 196 E HA -0.307 4.077 4.350 0.055 0.000 0.202 196 E C 2.291 178.709 176.600 -0.303 0.000 1.019 196 E CA 3.222 58.984 56.400 -1.063 0.000 0.819 196 E CB -0.754 28.395 29.700 -0.919 0.000 0.739 196 E HN 0.509 nan 8.360 nan 0.000 0.458 197 M N -1.023 118.514 119.600 -0.105 0.000 2.429 197 M HA 0.190 4.703 4.480 0.055 0.000 0.265 197 M C 2.050 178.511 176.300 0.268 0.000 1.120 197 M CA 1.209 56.561 55.300 0.087 0.000 1.173 197 M CB 0.217 32.899 32.600 0.136 0.000 1.343 197 M HN 0.094 nan 8.290 nan 0.000 0.464 198 A N 0.626 123.618 122.820 0.286 0.000 1.972 198 A HA -0.191 4.162 4.320 0.055 0.000 0.219 198 A C 2.320 180.097 177.584 0.321 0.000 1.169 198 A CA 1.643 53.897 52.037 0.363 0.000 0.635 198 A CB -1.711 17.463 19.000 0.290 0.000 0.810 198 A HN 0.896 nan 8.150 nan 0.000 0.446 199 C N -0.454 119.009 119.300 0.272 0.000 2.422 199 C HA -0.014 4.479 4.460 0.055 0.000 0.286 199 C C 2.018 177.111 174.990 0.172 0.000 1.412 199 C CA 0.890 60.050 59.018 0.237 0.000 1.786 199 C CB -1.475 26.451 27.740 0.311 0.000 1.835 199 C HN 0.660 nan 8.230 nan 0.000 0.533 200 E N 0.188 120.473 120.200 0.141 0.000 2.158 200 E HA -0.021 4.362 4.350 0.055 0.000 0.191 200 E C 1.651 178.240 176.600 -0.019 0.000 0.982 200 E CA 1.081 57.486 56.400 0.009 0.000 0.823 200 E CB -0.299 29.336 29.700 -0.109 0.000 0.766 200 E HN 0.725 nan 8.360 nan 0.000 0.468 201 F N 1.477 121.511 119.950 0.139 0.000 2.206 201 F HA -0.108 4.450 4.527 0.052 0.000 0.298 201 F C 2.206 178.052 175.800 0.077 0.000 1.090 201 F CA 1.047 59.143 58.000 0.161 0.000 1.323 201 F CB -0.018 39.103 39.000 0.202 0.000 1.028 201 F HN -0.032 nan 8.300 nan 0.000 0.492 202 D N 0.191 120.727 120.400 0.227 0.000 2.149 202 D HA -0.096 4.577 4.640 0.055 0.000 0.201 202 D C 2.224 178.579 176.300 0.092 0.000 0.972 202 D CA 1.151 55.221 54.000 0.117 0.000 0.835 202 D CB -0.193 40.667 40.800 0.099 0.000 0.966 202 D HN 0.145 nan 8.370 nan 0.000 0.476 203 A N 0.335 123.208 122.820 0.089 0.000 2.125 203 A HA -0.094 4.260 4.320 0.055 0.000 0.219 203 A C 2.202 179.811 177.584 0.042 0.000 1.156 203 A CA 1.303 53.373 52.037 0.055 0.000 0.671 203 A CB -0.686 18.340 19.000 0.045 0.000 0.794 203 A HN 0.422 nan 8.150 nan 0.000 0.459 204 M N -1.598 118.039 119.600 0.061 0.000 2.441 204 M HA 0.291 4.804 4.480 0.055 0.000 0.244 204 M C 1.119 177.471 176.300 0.087 0.000 1.122 204 M CA 1.061 56.395 55.300 0.058 0.000 1.041 204 M CB 0.344 32.983 32.600 0.065 0.000 1.438 204 M HN 0.592 nan 8.290 nan 0.000 0.484 205 G N 0.683 109.536 108.800 0.088 0.000 2.153 205 G HA2 -0.296 3.697 3.960 0.055 0.000 0.252 205 G HA3 -0.296 3.697 3.960 0.055 0.000 0.252 205 G C 0.608 175.570 174.900 0.103 0.000 0.994 205 G CA 0.425 45.571 45.100 0.075 0.000 0.698 205 G HN 0.712 nan 8.290 nan 0.000 0.521 206 A N -0.795 122.122 122.820 0.162 0.000 2.275 206 A HA 0.672 5.025 4.320 0.055 0.000 0.212 206 A C 1.043 178.563 177.584 -0.107 0.000 1.201 206 A CA 0.483 52.647 52.037 0.211 0.000 0.843 206 A CB 0.170 19.503 19.000 0.554 0.000 0.873 206 A HN 0.639 nan 8.150 nan 0.000 0.492 207 L N 0.939 122.031 121.223 -0.219 0.000 2.317 207 L HA 0.344 4.717 4.340 0.055 0.000 0.281 207 L C 0.765 177.541 176.870 -0.157 0.000 1.024 207 L CA -0.672 53.919 54.840 -0.414 0.000 0.810 207 L CB 1.782 43.642 42.059 -0.331 0.000 1.240 207 L HN 0.274 nan 8.230 nan 0.000 0.427 208 S N 0.746 116.381 115.700 -0.108 0.000 2.563 208 S HA 0.096 4.599 4.470 0.055 0.000 0.284 208 S C 0.747 175.340 174.600 -0.012 0.000 1.331 208 S CA 0.395 58.605 58.200 0.017 0.000 1.047 208 S CB 0.809 64.083 63.200 0.123 0.000 0.859 208 S HN 0.856 nan 8.310 nan 0.000 0.514 209 T N -0.364 114.169 114.554 -0.035 0.000 3.186 209 T HA 0.338 4.721 4.350 0.055 0.000 0.292 209 T C 0.613 175.209 174.700 -0.173 0.000 0.915 209 T CA -0.561 61.474 62.100 -0.108 0.000 0.902 209 T CB -0.207 68.592 68.868 -0.116 0.000 1.192 209 T HN 0.633 nan 8.240 nan 0.000 0.563 210 K N 0.561 120.814 120.400 -0.246 0.000 2.437 210 K HA 0.267 4.620 4.320 0.055 0.000 0.198 210 K C -0.511 175.686 176.600 -0.671 0.000 1.024 210 K CA 0.163 56.164 56.287 -0.478 0.000 1.148 210 K CB 0.079 32.203 32.500 -0.627 0.000 0.860 210 K HN 0.516 nan 8.250 nan 0.000 0.515 211 Y N -0.706 119.586 120.300 -0.013 0.000 2.696 211 Y HA 0.193 4.776 4.550 0.054 0.000 0.255 211 Y C 0.453 176.369 175.900 0.026 0.000 1.103 211 Y CA -0.599 57.509 58.100 0.013 0.000 1.126 211 Y CB 0.002 38.479 38.460 0.029 0.000 1.197 211 Y HN 0.080 nan 8.280 nan 0.000 0.574 212 N N 0.511 119.261 118.700 0.084 0.000 2.519 212 N HA -0.154 4.619 4.740 0.055 0.000 0.186 212 N C 0.816 176.440 175.510 0.190 0.000 1.062 212 N CA 1.022 54.152 53.050 0.133 0.000 0.910 212 N CB 0.134 38.626 38.487 0.008 0.000 0.958 212 N HN 0.410 nan 8.380 nan 0.000 0.445 213 D N -0.445 120.032 120.400 0.128 0.000 2.389 213 D HA 0.008 4.681 4.640 0.055 0.000 0.206 213 D C 0.466 176.826 176.300 0.100 0.000 1.055 213 D CA 0.841 54.895 54.000 0.089 0.000 0.856 213 D CB 0.494 41.326 40.800 0.054 0.000 0.957 213 D HN 0.289 nan 8.370 nan 0.000 0.509 214 T N -1.778 112.863 114.554 0.144 0.000 3.732 214 T HA 0.266 4.649 4.350 0.055 0.000 0.234 214 T C -2.242 172.526 174.700 0.113 0.000 1.146 214 T CA -1.426 60.743 62.100 0.116 0.000 1.454 214 T CB 1.502 70.439 68.868 0.116 0.000 0.910 214 T HN -0.287 nan 8.240 nan 0.000 0.640 215 P HA -0.262 nan 4.420 nan 0.000 0.222 215 P C 1.432 178.784 177.300 0.086 0.000 1.159 215 P CA 1.704 64.887 63.100 0.139 0.000 0.920 215 P CB 0.081 31.884 31.700 0.171 0.000 0.793 216 E N -0.890 119.347 120.200 0.062 0.000 2.401 216 E HA -0.163 4.220 4.350 0.055 0.000 0.199 216 E C 1.454 178.045 176.600 -0.016 0.000 1.023 216 E CA 0.802 57.218 56.400 0.028 0.000 0.859 216 E CB -0.285 29.429 29.700 0.023 0.000 0.780 216 E HN 0.446 nan 8.360 nan 0.000 0.523 217 K N -0.197 120.179 120.400 -0.040 0.000 2.353 217 K HA 0.200 4.554 4.320 0.055 0.000 0.195 217 K C 1.832 178.252 176.600 -0.299 0.000 1.031 217 K CA 0.294 56.493 56.287 -0.148 0.000 1.079 217 K CB 0.612 33.024 32.500 -0.146 0.000 0.857 217 K HN -0.020 nan 8.250 nan 0.000 0.535 218 A N 1.616 124.350 122.820 -0.144 0.000 1.841 218 A HA -0.113 4.240 4.320 0.055 0.000 0.216 218 A C 1.406 178.932 177.584 -0.098 0.000 1.199 218 A CA 1.279 53.260 52.037 -0.093 0.000 0.621 218 A CB -0.492 18.576 19.000 0.113 0.000 0.835 218 A HN 0.222 nan 8.150 nan 0.000 0.445 219 S N 0.851 116.536 115.700 -0.026 0.000 2.481 219 S HA 0.306 4.809 4.470 0.055 0.000 0.282 219 S C 0.394 174.953 174.600 -0.069 0.000 1.243 219 S CA -0.194 58.002 58.200 -0.008 0.000 1.078 219 S CB -0.206 63.005 63.200 0.019 0.000 0.916 219 S HN 0.489 nan 8.310 nan 0.000 0.495 220 R N 2.984 123.444 120.500 -0.067 0.000 2.627 220 R HA 0.181 4.554 4.340 0.055 0.000 0.251 220 R C -0.677 175.589 176.300 -0.057 0.000 1.524 220 R CA -0.644 55.407 56.100 -0.082 0.000 1.606 220 R CB -1.017 29.203 30.300 -0.134 0.000 1.396 220 R HN 0.465 nan 8.270 nan 0.000 0.724 221 T N 2.095 116.577 114.554 -0.120 0.000 2.903 221 T HA -0.112 4.271 4.350 0.055 0.000 0.299 221 T C 0.006 174.596 174.700 -0.183 0.000 1.041 221 T CA 0.942 62.876 62.100 -0.276 0.000 1.138 221 T CB -0.114 68.439 68.868 -0.526 0.000 1.040 221 T HN 0.481 nan 8.240 nan 0.000 0.524 222 Y N -1.219 119.113 120.300 0.054 0.000 4.604 222 Y HA -0.211 4.372 4.550 0.056 0.000 0.230 222 Y C 0.591 176.523 175.900 0.053 0.000 1.066 222 Y CA 0.501 58.633 58.100 0.052 0.000 1.990 222 Y CB -2.459 36.024 38.460 0.038 0.000 1.619 222 Y HN 0.797 nan 8.280 nan 0.000 0.649 223 D N -0.117 120.382 120.400 0.165 0.000 2.193 223 D HA 0.661 5.335 4.640 0.055 0.000 0.244 223 D C 1.090 177.498 176.300 0.181 0.000 1.064 223 D CA 0.423 54.502 54.000 0.132 0.000 0.845 223 D CB 1.358 42.199 40.800 0.068 0.000 1.148 223 D HN 0.180 nan 8.370 nan 0.000 0.464 224 A N 3.580 126.525 122.820 0.209 0.000 2.194 224 A HA -0.186 4.168 4.320 0.055 0.000 0.220 224 A C 1.157 178.944 177.584 0.339 0.000 1.162 224 A CA 1.212 53.407 52.037 0.263 0.000 0.674 224 A CB -0.541 18.628 19.000 0.281 0.000 0.789 224 A HN 0.802 nan 8.150 nan 0.000 0.470 225 H N -0.743 118.391 119.070 0.107 0.000 2.528 225 H HA 0.092 4.681 4.556 0.055 0.000 0.282 225 H C 0.211 175.661 175.328 0.204 0.000 1.097 225 H CA -0.509 55.631 56.048 0.153 0.000 1.121 225 H CB 0.159 30.033 29.762 0.187 0.000 1.590 225 H HN 0.643 nan 8.280 nan 0.000 0.553 226 R N 2.031 122.676 120.500 0.243 0.000 2.590 226 R HA 0.010 4.383 4.340 0.055 0.000 0.274 226 R C -0.451 175.972 176.300 0.205 0.000 1.061 226 R CA 0.139 56.360 56.100 0.202 0.000 1.081 226 R CB 0.390 30.770 30.300 0.133 0.000 0.984 226 R HN 0.141 nan 8.270 nan 0.000 0.448 227 D N 1.329 121.866 120.400 0.229 0.000 2.895 227 D HA 0.251 4.924 4.640 0.055 0.000 0.350 227 D C 0.110 176.486 176.300 0.126 0.000 1.389 227 D CA -0.080 54.014 54.000 0.156 0.000 0.812 227 D CB 0.454 41.326 40.800 0.119 0.000 1.164 227 D HN 0.921 nan 8.370 nan 0.000 0.455 228 G N 0.368 109.255 108.800 0.144 0.000 2.497 228 G HA2 0.165 4.158 3.960 0.055 0.000 0.686 228 G HA3 0.165 4.158 3.960 0.055 0.000 0.686 228 G C -0.589 174.398 174.900 0.145 0.000 1.288 228 G CA -0.702 44.479 45.100 0.136 0.000 0.899 228 G HN 0.364 nan 8.290 nan 0.000 0.608 229 F N -0.588 119.424 119.950 0.103 0.000 2.380 229 F HA 0.826 5.383 4.527 0.050 0.000 0.321 229 F C 0.286 176.133 175.800 0.077 0.000 1.103 229 F CA -1.434 56.616 58.000 0.084 0.000 1.067 229 F CB 1.336 40.401 39.000 0.108 0.000 1.265 229 F HN 0.428 nan 8.300 nan 0.000 0.517 230 V N 4.097 124.162 119.914 0.251 0.000 2.370 230 V HA 0.262 4.415 4.120 0.055 0.000 0.279 230 V C 0.224 176.525 176.094 0.345 0.000 1.029 230 V CA -0.879 61.513 62.300 0.152 0.000 0.870 230 V CB 1.131 33.050 31.823 0.161 0.000 0.984 230 V HN 0.861 nan 8.190 nan 0.000 0.451 231 I N 4.546 125.247 120.570 0.219 0.000 2.588 231 I HA 0.525 4.728 4.170 0.055 0.000 0.283 231 I C 0.492 176.761 176.117 0.254 0.000 1.119 231 I CA 0.414 61.898 61.300 0.308 0.000 1.419 231 I CB 0.794 38.909 38.000 0.191 0.000 1.394 231 I HN 0.811 nan 8.210 nan 0.000 0.562 232 A N 5.161 128.089 122.820 0.180 0.000 2.479 232 A HA 0.897 5.250 4.320 0.055 0.000 0.296 232 A C -0.513 177.096 177.584 0.041 0.000 1.121 232 A CA -0.242 51.848 52.037 0.088 0.000 0.743 232 A CB 1.524 20.576 19.000 0.087 0.000 1.323 232 A HN 0.817 nan 8.150 nan 0.000 0.415 233 G N -1.571 107.213 108.800 -0.027 0.000 2.605 233 G HA2 0.880 4.873 3.960 0.055 0.000 0.296 233 G HA3 0.880 4.873 3.960 0.055 0.000 0.296 233 G C -0.131 174.737 174.900 -0.054 0.000 1.304 233 G CA -0.198 44.916 45.100 0.023 0.000 0.941 233 G HN 2.152 nan 8.290 nan 0.000 0.475 234 G N -1.835 106.993 108.800 0.046 0.000 2.352 234 G HA2 0.642 4.635 3.960 0.055 0.000 0.283 234 G HA3 0.642 4.635 3.960 0.055 0.000 0.283 234 G C -0.401 174.565 174.900 0.109 0.000 1.308 234 G CA 0.250 45.252 45.100 -0.163 0.000 0.892 234 G HN 1.913 nan 8.290 nan 0.000 0.504 235 G N -1.943 106.871 108.800 0.024 0.000 2.682 235 G HA2 1.015 5.008 3.960 0.055 0.000 0.290 235 G HA3 1.015 5.008 3.960 0.055 0.000 0.290 235 G C -0.389 174.505 174.900 -0.010 0.000 1.425 235 G CA 0.335 45.481 45.100 0.076 0.000 0.807 235 G HN 2.093 nan 8.290 nan 0.000 0.482 236 G N -1.365 107.421 108.800 -0.024 0.000 2.673 236 G HA2 0.674 4.667 3.960 0.055 0.000 0.292 236 G HA3 0.674 4.667 3.960 0.055 0.000 0.292 236 G C -1.791 173.064 174.900 -0.075 0.000 1.450 236 G CA -0.600 44.454 45.100 -0.076 0.000 0.837 236 G HN 0.942 nan 8.290 nan 0.000 0.505 237 M N 0.674 120.216 119.600 -0.097 0.000 2.365 237 M HA 0.627 5.140 4.480 0.055 0.000 0.288 237 M C -1.055 175.181 176.300 -0.108 0.000 1.152 237 M CA -0.703 54.542 55.300 -0.090 0.000 0.948 237 M CB 2.270 34.813 32.600 -0.096 0.000 1.729 237 M HN 1.239 nan 8.290 nan 0.000 0.487 238 V N 1.711 121.561 119.914 -0.108 0.000 2.823 238 V HA 0.903 5.056 4.120 0.055 0.000 0.312 238 V C -1.118 174.887 176.094 -0.147 0.000 1.072 238 V CA -0.931 61.282 62.300 -0.144 0.000 0.937 238 V CB 1.825 33.539 31.823 -0.183 0.000 1.013 238 V HN 0.597 nan 8.190 nan 0.000 0.430 239 V N 4.070 123.878 119.914 -0.177 0.000 2.353 239 V HA 0.344 4.497 4.120 0.055 0.000 0.264 239 V C 0.239 176.173 176.094 -0.267 0.000 1.049 239 V CA -0.351 61.767 62.300 -0.303 0.000 0.896 239 V CB 0.984 32.634 31.823 -0.287 0.000 1.025 239 V HN 0.729 nan 8.190 nan 0.000 0.475 240 V N 5.300 125.036 119.914 -0.297 0.000 2.406 240 V HA 0.440 4.593 4.120 0.055 0.000 0.272 240 V C 0.128 176.081 176.094 -0.236 0.000 1.043 240 V CA -0.160 62.007 62.300 -0.222 0.000 0.915 240 V CB 1.320 33.024 31.823 -0.199 0.000 0.988 240 V HN 0.975 nan 8.190 nan 0.000 0.466 241 E N 2.861 122.960 120.200 -0.168 0.000 2.340 241 E HA 0.319 4.702 4.350 0.055 0.000 0.273 241 E C -0.855 175.691 176.600 -0.090 0.000 0.891 241 E CA -0.749 55.562 56.400 -0.150 0.000 0.757 241 E CB 1.861 31.493 29.700 -0.113 0.000 1.231 241 E HN 0.678 nan 8.360 nan 0.000 0.439 242 E N 3.519 123.666 120.200 -0.088 0.000 2.384 242 E HA -0.030 4.354 4.350 0.055 0.000 0.266 242 E C 0.797 177.406 176.600 0.014 0.000 1.012 242 E CA -0.068 56.309 56.400 -0.038 0.000 0.901 242 E CB 1.117 30.792 29.700 -0.041 0.000 0.967 242 E HN 0.599 nan 8.360 nan 0.000 0.435 243 L N 5.707 126.935 121.223 0.008 0.000 1.971 243 L HA -0.238 4.136 4.340 0.055 0.000 0.215 243 L C 1.943 178.831 176.870 0.031 0.000 1.072 243 L CA 1.950 56.798 54.840 0.014 0.000 0.758 243 L CB -0.412 41.649 42.059 0.004 0.000 0.889 243 L HN 0.554 nan 8.230 nan 0.000 0.433 244 E N -0.804 119.417 120.200 0.036 0.000 2.070 244 E HA -0.297 4.086 4.350 0.055 0.000 0.197 244 E C 2.237 178.868 176.600 0.051 0.000 1.004 244 E CA 1.623 58.044 56.400 0.035 0.000 0.805 244 E CB -0.796 28.925 29.700 0.035 0.000 0.744 244 E HN 0.677 nan 8.360 nan 0.000 0.451 245 H N 0.344 119.403 119.070 -0.019 0.000 2.319 245 H HA -0.103 4.487 4.556 0.056 0.000 0.297 245 H C 1.830 177.146 175.328 -0.020 0.000 1.097 245 H CA 1.995 58.031 56.048 -0.019 0.000 1.285 245 H CB 0.118 29.864 29.762 -0.026 0.000 1.368 245 H HN 0.144 nan 8.280 nan 0.000 0.495 246 A N 0.962 123.846 122.820 0.106 0.000 1.930 246 A HA -0.050 4.304 4.320 0.055 0.000 0.217 246 A C 2.880 180.456 177.584 -0.012 0.000 1.175 246 A CA 0.955 53.017 52.037 0.041 0.000 0.627 246 A CB -0.718 18.305 19.000 0.039 0.000 0.815 246 A HN 0.412 nan 8.150 nan 0.000 0.443 247 L N -0.770 120.447 121.223 -0.010 0.000 2.141 247 L HA -0.170 4.203 4.340 0.055 0.000 0.209 247 L C 3.049 179.898 176.870 -0.036 0.000 1.094 247 L CA 0.900 55.729 54.840 -0.018 0.000 0.763 247 L CB -0.512 41.540 42.059 -0.011 0.000 0.908 247 L HN 0.439 nan 8.230 nan 0.000 0.437 248 A N 1.121 123.906 122.820 -0.059 0.000 1.933 248 A HA -0.201 4.152 4.320 0.055 0.000 0.218 248 A C 2.254 179.779 177.584 -0.098 0.000 1.175 248 A CA 1.706 53.693 52.037 -0.084 0.000 0.628 248 A CB -0.476 18.453 19.000 -0.119 0.000 0.814 248 A HN 0.572 nan 8.150 nan 0.000 0.444 249 R N -1.179 119.250 120.500 -0.118 0.000 2.317 249 R HA 0.332 4.705 4.340 0.055 0.000 0.208 249 R C 0.940 177.214 176.300 -0.043 0.000 0.914 249 R CA 0.622 56.667 56.100 -0.092 0.000 1.060 249 R CB -0.622 29.609 30.300 -0.114 0.000 1.015 249 R HN 0.757 nan 8.270 nan 0.000 0.498 250 G N 0.922 109.703 108.800 -0.033 0.000 2.272 250 G HA2 -0.300 3.693 3.960 0.055 0.000 0.280 250 G HA3 -0.300 3.693 3.960 0.055 0.000 0.280 250 G C 0.216 175.118 174.900 0.003 0.000 1.067 250 G CA 0.178 45.269 45.100 -0.014 0.000 0.902 250 G HN 0.704 nan 8.290 nan 0.000 0.500 251 A N -0.318 122.507 122.820 0.008 0.000 2.332 251 A HA 0.625 4.979 4.320 0.055 0.000 0.258 251 A C 0.496 178.113 177.584 0.055 0.000 1.087 251 A CA 0.124 52.181 52.037 0.034 0.000 0.802 251 A CB 0.373 19.390 19.000 0.029 0.000 1.042 251 A HN 1.363 nan 8.150 nan 0.000 0.489 252 H N 0.564 119.608 119.070 -0.044 0.000 2.722 252 H HA 0.465 5.054 4.556 0.055 0.000 0.328 252 H C -0.794 174.486 175.328 -0.080 0.000 1.067 252 H CA -0.223 55.764 56.048 -0.102 0.000 1.447 252 H CB 0.094 29.761 29.762 -0.158 0.000 1.469 252 H HN 0.385 nan 8.280 nan 0.000 0.544 253 I N 7.312 127.624 120.570 -0.429 0.000 2.420 253 I HA 0.029 4.233 4.170 0.055 0.000 0.282 253 I C -0.017 175.844 176.117 -0.428 0.000 1.019 253 I CA -0.478 60.624 61.300 -0.331 0.000 1.130 253 I CB 0.892 38.819 38.000 -0.122 0.000 1.262 253 I HN 0.725 nan 8.210 nan 0.000 0.454 254 Y N 4.967 124.997 120.300 -0.449 0.000 2.163 254 Y HA 0.129 4.713 4.550 0.057 0.000 0.288 254 Y C 1.348 177.163 175.900 -0.142 0.000 1.136 254 Y CA 1.106 59.040 58.100 -0.277 0.000 1.147 254 Y CB 0.150 38.498 38.460 -0.186 0.000 0.987 254 Y HN 0.661 nan 8.280 nan 0.000 0.509 255 A N -0.776 122.078 122.820 0.057 0.000 2.566 255 A HA 0.417 4.770 4.320 0.055 0.000 0.290 255 A C -1.540 176.042 177.584 -0.003 0.000 1.071 255 A CA -0.829 51.219 52.037 0.020 0.000 0.658 255 A CB 0.837 19.856 19.000 0.032 0.000 1.285 255 A HN 0.083 nan 8.150 nan 0.000 0.427 256 E N 0.490 120.688 120.200 -0.003 0.000 2.179 256 E HA 0.606 4.989 4.350 0.055 0.000 0.275 256 E C -1.251 175.348 176.600 -0.002 0.000 0.945 256 E CA -0.596 55.800 56.400 -0.007 0.000 0.792 256 E CB 0.985 30.684 29.700 -0.002 0.000 1.125 256 E HN 0.495 nan 8.360 nan 0.000 0.397 257 I N 5.879 126.443 120.570 -0.010 0.000 2.294 257 I HA 0.033 4.236 4.170 0.055 0.000 0.295 257 I C 1.021 177.152 176.117 0.023 0.000 1.098 257 I CA -0.305 60.995 61.300 -0.000 0.000 1.277 257 I CB 0.837 38.822 38.000 -0.025 0.000 1.434 257 I HN 0.503 nan 8.210 nan 0.000 0.498 258 V N 2.551 122.486 119.914 0.036 0.000 3.649 258 V HA 0.434 4.587 4.120 0.055 0.000 0.275 258 V C 0.799 176.935 176.094 0.069 0.000 1.281 258 V CA 0.086 62.414 62.300 0.046 0.000 1.143 258 V CB -0.340 31.507 31.823 0.040 0.000 0.892 258 V HN 0.709 nan 8.190 nan 0.000 0.441 259 G N -0.472 108.379 108.800 0.085 0.000 2.753 259 G HA2 0.532 4.525 3.960 0.055 0.000 0.295 259 G HA3 0.532 4.525 3.960 0.055 0.000 0.295 259 G C -2.270 172.739 174.900 0.182 0.000 1.437 259 G CA -0.529 44.639 45.100 0.113 0.000 1.094 259 G HN 0.208 nan 8.290 nan 0.000 0.540 260 Y N 1.524 121.839 120.300 0.024 0.000 2.361 260 Y HA 0.696 5.278 4.550 0.054 0.000 0.328 260 Y C -0.161 175.759 175.900 0.033 0.000 1.044 260 Y CA -1.428 56.684 58.100 0.020 0.000 1.085 260 Y CB 1.949 40.421 38.460 0.019 0.000 1.194 260 Y HN 0.800 nan 8.280 nan 0.000 0.438 261 G N 3.500 112.151 108.800 -0.249 0.000 2.478 261 G HA2 0.713 4.706 3.960 0.055 0.000 0.317 261 G HA3 0.713 4.706 3.960 0.055 0.000 0.317 261 G C -1.679 172.996 174.900 -0.376 0.000 1.259 261 G CA -0.592 44.311 45.100 -0.328 0.000 0.933 261 G HN 1.027 nan 8.290 nan 0.000 0.478 262 A N 2.164 124.766 122.820 -0.362 0.000 2.385 262 A HA 0.898 5.252 4.320 0.055 0.000 0.290 262 A C 0.059 177.630 177.584 -0.022 0.000 1.094 262 A CA -0.245 51.756 52.037 -0.061 0.000 0.729 262 A CB 1.376 20.362 19.000 -0.024 0.000 1.194 262 A HN 1.467 nan 8.150 nan 0.000 0.442 263 T N -1.383 113.206 114.554 0.058 0.000 2.838 263 T HA 0.837 5.220 4.350 0.055 0.000 0.292 263 T C -0.386 174.344 174.700 0.049 0.000 1.113 263 T CA -0.602 61.513 62.100 0.024 0.000 1.008 263 T CB 1.773 70.644 68.868 0.005 0.000 1.259 263 T HN 1.175 nan 8.240 nan 0.000 0.520 264 S N -0.836 114.875 115.700 0.019 0.000 2.538 264 S HA 0.457 4.961 4.470 0.055 0.000 0.288 264 S C -0.222 174.380 174.600 0.003 0.000 1.108 264 S CA -0.614 57.598 58.200 0.021 0.000 0.971 264 S CB 1.558 64.764 63.200 0.009 0.000 1.041 264 S HN 0.705 nan 8.310 nan 0.000 0.483 265 D N 2.816 123.219 120.400 0.004 0.000 2.162 265 D HA 0.152 4.825 4.640 0.055 0.000 0.203 265 D C 1.509 177.805 176.300 -0.007 0.000 0.967 265 D CA 1.374 55.367 54.000 -0.012 0.000 0.840 265 D CB -0.439 40.353 40.800 -0.013 0.000 0.972 265 D HN 1.004 nan 8.370 nan 0.000 0.482 266 G N 0.152 108.953 108.800 0.002 0.000 2.341 266 G HA2 -0.137 3.856 3.960 0.055 0.000 0.292 266 G HA3 -0.137 3.856 3.960 0.055 0.000 0.292 266 G C 0.678 175.577 174.900 -0.002 0.000 1.021 266 G CA 0.901 46.001 45.100 -0.000 0.000 0.905 266 G HN 0.598 nan 8.290 nan 0.000 0.508 267 A N -0.904 121.917 122.820 0.001 0.000 1.795 267 A HA 0.675 5.029 4.320 0.055 0.000 0.182 267 A C 0.501 178.087 177.584 0.003 0.000 2.073 267 A CA 1.094 53.130 52.037 -0.001 0.000 1.402 267 A CB 0.286 19.283 19.000 -0.004 0.000 0.977 267 A HN 0.521 nan 8.150 nan 0.000 0.648 268 D N -1.356 119.049 120.400 0.009 0.000 2.217 268 D HA 0.491 5.164 4.640 0.055 0.000 0.248 268 D C 1.077 177.385 176.300 0.013 0.000 1.008 268 D CA -0.484 53.520 54.000 0.008 0.000 0.914 268 D CB 0.851 41.659 40.800 0.013 0.000 1.182 268 D HN 0.102 nan 8.370 nan 0.000 0.451 269 M N 1.944 121.535 119.600 -0.015 0.000 2.236 269 M HA -0.008 4.505 4.480 0.055 0.000 0.266 269 M C 1.419 177.670 176.300 -0.083 0.000 1.070 269 M CA 1.093 56.370 55.300 -0.038 0.000 1.137 269 M CB -0.341 32.211 32.600 -0.080 0.000 1.378 269 M HN 0.506 nan 8.290 nan 0.000 0.426 270 V N -3.855 115.986 119.914 -0.122 0.000 3.477 270 V HA 0.601 4.754 4.120 0.055 0.000 0.297 270 V C 0.522 176.696 176.094 0.133 0.000 1.433 270 V CA -0.142 62.024 62.300 -0.223 0.000 1.052 270 V CB -0.605 30.917 31.823 -0.502 0.000 0.895 270 V HN 0.140 nan 8.190 nan 0.000 0.438 271 A N 0.834 123.724 122.820 0.116 0.000 2.386 271 A HA 0.962 5.315 4.320 0.055 0.000 0.311 271 A C -3.051 174.597 177.584 0.106 0.000 1.068 271 A CA -1.849 50.273 52.037 0.142 0.000 0.743 271 A CB 1.339 20.394 19.000 0.093 0.000 1.258 271 A HN 0.230 nan 8.150 nan 0.000 0.429 272 P HA 0.196 nan 4.420 nan 0.000 0.274 272 P C 0.821 178.105 177.300 -0.026 0.000 1.237 272 P CA 0.046 63.143 63.100 -0.005 0.000 0.793 272 P CB 1.143 32.805 31.700 -0.064 0.000 0.977 273 S N 0.476 116.136 115.700 -0.067 0.000 2.468 273 S HA 0.232 4.735 4.470 0.055 0.000 0.226 273 S C 1.603 176.159 174.600 -0.072 0.000 1.051 273 S CA 0.872 59.041 58.200 -0.051 0.000 0.943 273 S CB -0.807 62.366 63.200 -0.045 0.000 0.810 273 S HN 0.667 nan 8.310 nan 0.000 0.509 274 G N 1.694 110.414 108.800 -0.133 0.000 2.420 274 G HA2 -0.336 3.657 3.960 0.055 0.000 0.221 274 G HA3 -0.336 3.657 3.960 0.055 0.000 0.221 274 G C 0.924 175.756 174.900 -0.112 0.000 1.117 274 G CA 0.549 45.571 45.100 -0.130 0.000 0.657 274 G HN 0.447 nan 8.290 nan 0.000 0.512 275 E N 1.838 121.989 120.200 -0.082 0.000 2.110 275 E HA -0.057 4.326 4.350 0.055 0.000 0.193 275 E C 2.543 179.098 176.600 -0.074 0.000 0.988 275 E CA 2.250 58.611 56.400 -0.065 0.000 0.804 275 E CB -0.887 28.785 29.700 -0.046 0.000 0.745 275 E HN 0.623 nan 8.360 nan 0.000 0.458 276 G N 0.722 109.465 108.800 -0.094 0.000 2.394 276 G HA2 -0.157 3.836 3.960 0.055 0.000 0.214 276 G HA3 -0.157 3.836 3.960 0.055 0.000 0.214 276 G C 1.765 176.604 174.900 -0.102 0.000 1.176 276 G CA 1.232 46.280 45.100 -0.086 0.000 0.786 276 G HN 0.411 nan 8.290 nan 0.000 0.533 277 A N 0.241 122.936 122.820 -0.210 0.000 1.940 277 A HA 0.018 4.371 4.320 0.055 0.000 0.219 277 A C 2.600 180.158 177.584 -0.045 0.000 1.176 277 A CA 1.924 53.842 52.037 -0.199 0.000 0.631 277 A CB -0.659 18.042 19.000 -0.499 0.000 0.814 277 A HN 0.263 nan 8.150 nan 0.000 0.446 278 V N -0.106 119.765 119.914 -0.070 0.000 2.295 278 V HA -0.277 3.877 4.120 0.055 0.000 0.246 278 V C 2.648 178.708 176.094 -0.057 0.000 1.049 278 V CA 2.317 64.580 62.300 -0.063 0.000 1.024 278 V CB -0.777 31.006 31.823 -0.068 0.000 0.648 278 V HN 0.541 nan 8.190 nan 0.000 0.447 279 R N -1.111 119.360 120.500 -0.048 0.000 2.092 279 R HA -0.154 4.220 4.340 0.055 0.000 0.231 279 R C 2.390 178.673 176.300 -0.028 0.000 1.119 279 R CA 1.544 57.620 56.100 -0.040 0.000 0.970 279 R CB -0.836 29.441 30.300 -0.038 0.000 0.864 279 R HN 0.570 nan 8.270 nan 0.000 0.440 280 C N 0.861 120.156 119.300 -0.008 0.000 2.432 280 C HA -0.065 4.429 4.460 0.055 0.000 0.277 280 C C 2.601 177.605 174.990 0.022 0.000 1.249 280 C CA 0.857 59.885 59.018 0.017 0.000 1.725 280 C CB -0.664 27.128 27.740 0.086 0.000 2.028 280 C HN 0.450 nan 8.230 nan 0.000 0.477 281 M N 0.335 119.956 119.600 0.036 0.000 2.117 281 M HA -0.148 4.366 4.480 0.055 0.000 0.262 281 M C 2.306 178.594 176.300 -0.020 0.000 1.065 281 M CA 1.802 57.116 55.300 0.024 0.000 1.114 281 M CB -0.499 32.107 32.600 0.009 0.000 1.361 281 M HN 0.384 nan 8.290 nan 0.000 0.408 282 K N 0.081 120.451 120.400 -0.051 0.000 2.057 282 K HA -0.170 4.183 4.320 0.055 0.000 0.207 282 K C 2.009 178.625 176.600 0.025 0.000 1.049 282 K CA 1.458 57.723 56.287 -0.038 0.000 0.931 282 K CB -0.337 32.137 32.500 -0.043 0.000 0.714 282 K HN 0.409 nan 8.250 nan 0.000 0.440 283 M N 0.733 120.334 119.600 0.003 0.000 2.117 283 M HA -0.177 4.336 4.480 0.055 0.000 0.262 283 M C 2.180 178.495 176.300 0.024 0.000 1.065 283 M CA 1.712 57.006 55.300 -0.009 0.000 1.114 283 M CB -0.122 32.435 32.600 -0.071 0.000 1.361 283 M HN 0.173 nan 8.290 nan 0.000 0.408 284 A N 0.361 123.191 122.820 0.018 0.000 1.873 284 A HA -0.157 4.196 4.320 0.055 0.000 0.215 284 A C 1.985 179.614 177.584 0.075 0.000 1.186 284 A CA 1.684 53.749 52.037 0.047 0.000 0.616 284 A CB -0.667 18.365 19.000 0.054 0.000 0.823 284 A HN 0.622 nan 8.150 nan 0.000 0.442 285 M N -0.973 118.666 119.600 0.065 0.000 2.549 285 M HA -0.038 4.475 4.480 0.055 0.000 0.260 285 M C 0.593 176.929 176.300 0.059 0.000 1.076 285 M CA 0.355 55.690 55.300 0.059 0.000 1.090 285 M CB -0.315 32.301 32.600 0.027 0.000 1.418 285 M HN 0.519 nan 8.290 nan 0.000 0.486 286 H N -0.248 118.819 119.070 -0.004 0.000 2.975 286 H HA 0.237 4.826 4.556 0.055 0.000 0.303 286 H C 1.065 176.397 175.328 0.006 0.000 1.023 286 H CA 1.423 57.468 56.048 -0.005 0.000 1.473 286 H CB 0.262 30.016 29.762 -0.013 0.000 1.498 286 H HN 0.399 nan 8.280 nan 0.000 0.549 287 G N 2.996 111.735 108.800 -0.102 0.000 2.279 287 G HA2 -0.284 3.709 3.960 0.055 0.000 0.223 287 G HA3 -0.284 3.709 3.960 0.055 0.000 0.223 287 G C -0.024 174.874 174.900 -0.003 0.000 1.015 287 G CA 0.022 45.120 45.100 -0.003 0.000 0.621 287 G HN 0.654 nan 8.290 nan 0.000 0.506 288 V N 3.390 123.310 119.914 0.009 0.000 2.403 288 V HA 0.327 4.481 4.120 0.055 0.000 0.265 288 V C 1.439 177.536 176.094 0.004 0.000 1.034 288 V CA 0.795 63.106 62.300 0.018 0.000 1.036 288 V CB 0.813 32.659 31.823 0.038 0.000 1.032 288 V HN 0.582 nan 8.190 nan 0.000 0.478 289 D N 2.691 123.092 120.400 0.002 0.000 2.348 289 D HA -0.079 4.594 4.640 0.055 0.000 0.216 289 D C 0.962 177.267 176.300 0.009 0.000 0.970 289 D CA 0.567 54.566 54.000 -0.001 0.000 0.889 289 D CB -0.267 40.531 40.800 -0.002 0.000 0.912 289 D HN 0.609 nan 8.370 nan 0.000 0.524 290 T N -1.595 112.969 114.554 0.018 0.000 2.875 290 T HA 0.491 4.875 4.350 0.055 0.000 0.284 290 T C -2.391 172.329 174.700 0.034 0.000 0.995 290 T CA -1.854 60.260 62.100 0.023 0.000 1.060 290 T CB 1.837 70.719 68.868 0.023 0.000 0.967 290 T HN -0.092 nan 8.240 nan 0.000 0.476 291 P HA 0.268 nan 4.420 nan 0.000 0.274 291 P C -0.348 176.977 177.300 0.041 0.000 1.231 291 P CA -0.698 62.431 63.100 0.048 0.000 0.790 291 P CB 0.573 32.294 31.700 0.035 0.000 0.951 292 I N 3.247 123.848 120.570 0.052 0.000 2.421 292 I HA -0.008 4.196 4.170 0.055 0.000 0.291 292 I C 1.327 177.414 176.117 -0.050 0.000 1.089 292 I CA 0.396 61.703 61.300 0.010 0.000 1.354 292 I CB -0.413 37.593 38.000 0.010 0.000 1.413 292 I HN 0.317 nan 8.210 nan 0.000 0.513 293 D N 5.068 125.466 120.400 -0.004 0.000 2.137 293 D HA -0.124 4.550 4.640 0.055 0.000 0.202 293 D C 0.334 176.658 176.300 0.041 0.000 0.970 293 D CA 1.553 55.558 54.000 0.008 0.000 0.837 293 D CB 0.191 41.012 40.800 0.035 0.000 0.981 293 D HN 0.524 nan 8.370 nan 0.000 0.475 294 Y N 0.007 120.254 120.300 -0.088 0.000 2.545 294 Y HA 0.530 5.113 4.550 0.055 0.000 0.348 294 Y C -1.729 174.116 175.900 -0.091 0.000 1.002 294 Y CA -1.369 56.672 58.100 -0.099 0.000 1.039 294 Y CB 1.703 40.107 38.460 -0.093 0.000 1.271 294 Y HN -0.193 nan 8.280 nan 0.000 0.467 295 L N 6.251 126.768 121.223 -1.176 0.000 2.491 295 L HA 0.439 4.812 4.340 0.055 0.000 0.267 295 L C -1.579 174.655 176.870 -1.061 0.000 0.971 295 L CA -0.472 53.859 54.840 -0.848 0.000 0.857 295 L CB 1.062 42.867 42.059 -0.422 0.000 1.226 295 L HN 0.795 nan 8.230 nan 0.000 0.408 296 N N 3.608 121.882 118.700 -0.711 0.000 2.469 296 N HA 0.152 4.925 4.740 0.055 0.000 0.239 296 N C -0.283 175.122 175.510 -0.175 0.000 1.053 296 N CA -0.055 52.825 53.050 -0.282 0.000 0.937 296 N CB 1.073 39.586 38.487 0.043 0.000 1.163 296 N HN 0.752 nan 8.380 nan 0.000 0.509 297 S N 2.496 118.123 115.700 -0.122 0.000 2.634 297 S HA 0.057 4.560 4.470 0.055 0.000 0.261 297 S C 1.261 175.776 174.600 -0.142 0.000 1.271 297 S CA -0.336 57.818 58.200 -0.075 0.000 0.985 297 S CB 1.416 64.670 63.200 0.090 0.000 0.968 297 S HN 0.617 nan 8.310 nan 0.000 0.568 298 E N 1.567 121.642 120.200 -0.209 0.000 2.047 298 E HA 0.061 4.444 4.350 0.055 0.000 0.191 298 E C 1.325 177.811 176.600 -0.191 0.000 0.987 298 E CA 1.312 57.530 56.400 -0.304 0.000 0.799 298 E CB -1.354 28.083 29.700 -0.438 0.000 0.752 298 E HN 1.239 nan 8.360 nan 0.000 0.449 299 G N 0.822 109.571 108.800 -0.084 0.000 2.142 299 G HA2 -0.298 3.695 3.960 0.055 0.000 0.255 299 G HA3 -0.298 3.695 3.960 0.055 0.000 0.255 299 G C 0.570 175.342 174.900 -0.215 0.000 0.803 299 G CA 0.799 45.765 45.100 -0.222 0.000 1.195 299 G HN 0.354 nan 8.290 nan 0.000 0.366 300 T N -0.198 114.295 114.554 -0.102 0.000 2.995 300 T HA 0.124 4.507 4.350 0.055 0.000 0.269 300 T C 1.720 176.455 174.700 0.059 0.000 1.091 300 T CA 1.638 63.709 62.100 -0.047 0.000 1.128 300 T CB -0.010 68.894 68.868 0.060 0.000 0.891 300 T HN 1.771 nan 8.240 nan 0.000 0.492 301 S N 0.847 116.550 115.700 0.005 0.000 3.305 301 S HA -0.140 4.364 4.470 0.055 0.000 0.279 301 S C 0.276 174.956 174.600 0.134 0.000 1.292 301 S CA 0.661 58.882 58.200 0.035 0.000 0.914 301 S CB -2.051 61.181 63.200 0.053 0.000 1.125 301 S HN 0.850 nan 8.310 nan 0.000 0.668 302 T N -1.159 113.495 114.554 0.165 0.000 2.925 302 T HA 0.695 5.079 4.350 0.055 0.000 0.285 302 T C -1.541 173.258 174.700 0.165 0.000 1.021 302 T CA -1.503 60.714 62.100 0.196 0.000 1.042 302 T CB 1.613 70.635 68.868 0.256 0.000 1.037 302 T HN -0.055 nan 8.240 nan 0.000 0.481 303 P HA -0.122 nan 4.420 nan 0.000 0.213 303 P C 1.758 179.139 177.300 0.134 0.000 1.170 303 P CA 0.723 63.902 63.100 0.132 0.000 0.902 303 P CB -0.137 31.628 31.700 0.108 0.000 0.789 304 V N -0.040 119.953 119.914 0.133 0.000 2.229 304 V HA -0.171 3.982 4.120 0.055 0.000 0.243 304 V C 2.647 178.825 176.094 0.140 0.000 1.042 304 V CA 2.561 64.935 62.300 0.124 0.000 1.000 304 V CB -2.151 29.745 31.823 0.121 0.000 0.637 304 V HN 0.170 nan 8.190 nan 0.000 0.446 305 G N -0.019 108.883 108.800 0.170 0.000 2.491 305 G HA2 -0.331 3.662 3.960 0.055 0.000 0.218 305 G HA3 -0.331 3.662 3.960 0.055 0.000 0.218 305 G C 1.167 176.193 174.900 0.209 0.000 1.180 305 G CA 1.506 46.719 45.100 0.189 0.000 0.774 305 G HN 0.539 nan 8.290 nan 0.000 0.562 306 D N -0.112 120.420 120.400 0.220 0.000 2.092 306 D HA -0.102 4.571 4.640 0.055 0.000 0.193 306 D C 2.707 179.183 176.300 0.294 0.000 0.994 306 D CA 1.004 55.195 54.000 0.318 0.000 0.828 306 D CB -0.614 40.368 40.800 0.303 0.000 0.963 306 D HN 0.158 nan 8.370 nan 0.000 0.450 307 V N 0.812 120.846 119.914 0.199 0.000 2.392 307 V HA -0.225 3.928 4.120 0.055 0.000 0.249 307 V C 2.320 178.473 176.094 0.099 0.000 1.059 307 V CA 1.433 63.810 62.300 0.129 0.000 1.051 307 V CB -0.286 31.598 31.823 0.101 0.000 0.658 307 V HN 0.183 nan 8.190 nan 0.000 0.455 308 K N -0.143 120.319 120.400 0.103 0.000 2.025 308 K HA -0.197 4.157 4.320 0.055 0.000 0.207 308 K C 2.159 178.799 176.600 0.065 0.000 1.049 308 K CA 1.720 58.044 56.287 0.061 0.000 0.933 308 K CB -0.317 32.207 32.500 0.040 0.000 0.714 308 K HN 0.628 nan 8.250 nan 0.000 0.438 309 E N 1.041 121.325 120.200 0.141 0.000 2.077 309 E HA -0.159 4.225 4.350 0.055 0.000 0.193 309 E C 2.172 178.856 176.600 0.140 0.000 0.989 309 E CA 0.823 57.343 56.400 0.200 0.000 0.800 309 E CB -0.032 29.898 29.700 0.384 0.000 0.746 309 E HN 0.154 nan 8.360 nan 0.000 0.452 310 L N 0.485 121.766 121.223 0.096 0.000 2.013 310 L HA -0.235 4.138 4.340 0.055 0.000 0.212 310 L C 2.757 179.637 176.870 0.016 0.000 1.073 310 L CA 1.354 56.189 54.840 -0.008 0.000 0.753 310 L CB -0.686 41.319 42.059 -0.090 0.000 0.890 310 L HN 0.253 nan 8.230 nan 0.000 0.432 311 A N -0.104 122.730 122.820 0.024 0.000 1.933 311 A HA -0.159 4.194 4.320 0.055 0.000 0.218 311 A C 2.530 180.125 177.584 0.018 0.000 1.175 311 A CA 1.757 53.804 52.037 0.016 0.000 0.628 311 A CB -0.654 18.354 19.000 0.013 0.000 0.814 311 A HN 0.435 nan 8.150 nan 0.000 0.444 312 A N -0.083 122.751 122.820 0.023 0.000 1.902 312 A HA -0.066 4.287 4.320 0.055 0.000 0.217 312 A C 2.117 179.725 177.584 0.039 0.000 1.181 312 A CA 1.518 53.563 52.037 0.013 0.000 0.623 312 A CB -0.554 18.451 19.000 0.008 0.000 0.818 312 A HN 0.497 nan 8.150 nan 0.000 0.443 313 I N -1.252 119.380 120.570 0.103 0.000 2.252 313 I HA -0.199 4.004 4.170 0.055 0.000 0.245 313 I C 2.685 178.926 176.117 0.207 0.000 1.102 313 I CA 1.352 62.779 61.300 0.211 0.000 1.385 313 I CB -0.296 37.834 38.000 0.217 0.000 1.064 313 I HN 0.320 nan 8.210 nan 0.000 0.414 314 R N 0.772 121.337 120.500 0.107 0.000 2.152 314 R HA -0.230 4.143 4.340 0.055 0.000 0.232 314 R C 2.111 178.438 176.300 0.046 0.000 1.117 314 R CA 1.557 57.705 56.100 0.080 0.000 0.981 314 R CB 0.015 30.336 30.300 0.036 0.000 0.870 314 R HN 0.269 nan 8.270 nan 0.000 0.451 315 E N -0.423 119.782 120.200 0.009 0.000 2.076 315 E HA -0.083 4.301 4.350 0.055 0.000 0.190 315 E C 1.730 178.275 176.600 -0.091 0.000 0.979 315 E CA 1.079 57.460 56.400 -0.032 0.000 0.807 315 E CB 0.108 29.785 29.700 -0.038 0.000 0.761 315 E HN 0.110 nan 8.360 nan 0.000 0.454 316 V N -0.119 119.688 119.914 -0.179 0.000 2.379 316 V HA -0.133 4.020 4.120 0.055 0.000 0.245 316 V C 1.678 177.454 176.094 -0.530 0.000 1.044 316 V CA 1.839 63.876 62.300 -0.439 0.000 1.036 316 V CB -0.464 30.919 31.823 -0.733 0.000 0.664 316 V HN 0.249 nan 8.190 nan 0.000 0.453 317 F N -0.829 119.117 119.950 -0.007 0.000 2.480 317 F HA 0.568 5.128 4.527 0.055 0.000 0.280 317 F C 1.887 177.681 175.800 -0.011 0.000 1.002 317 F CA 0.926 58.921 58.000 -0.010 0.000 1.325 317 F CB -0.548 38.444 39.000 -0.014 0.000 1.134 317 F HN 0.257 nan 8.300 nan 0.000 0.646 318 G N 1.411 110.325 108.800 0.190 0.000 2.972 318 G HA2 -0.333 3.661 3.960 0.055 0.000 0.265 318 G HA3 -0.333 3.661 3.960 0.055 0.000 0.265 318 G C 0.741 175.691 174.900 0.082 0.000 1.506 318 G CA 0.367 45.525 45.100 0.096 0.000 1.016 318 G HN 0.329 nan 8.290 nan 0.000 0.563 319 D N 1.037 121.475 120.400 0.063 0.000 2.201 319 D HA 0.034 4.707 4.640 0.055 0.000 0.209 319 D C 1.438 177.759 176.300 0.034 0.000 0.961 319 D CA 0.973 54.996 54.000 0.037 0.000 0.861 319 D CB -0.170 40.646 40.800 0.026 0.000 0.997 319 D HN 0.530 nan 8.370 nan 0.000 0.486 320 K N 1.974 122.409 120.400 0.058 0.000 3.233 320 K HA 0.097 4.450 4.320 0.055 0.000 0.283 320 K C 0.334 176.942 176.600 0.012 0.000 1.209 320 K CA -0.215 56.099 56.287 0.044 0.000 1.197 320 K CB -0.042 32.500 32.500 0.071 0.000 1.431 320 K HN 0.143 nan 8.250 nan 0.000 0.326 321 S N 1.070 116.742 115.700 -0.046 0.000 2.565 321 S HA 0.340 4.843 4.470 0.055 0.000 0.274 321 S C -1.707 172.725 174.600 -0.280 0.000 1.309 321 S CA -1.320 56.749 58.200 -0.219 0.000 1.043 321 S CB 0.797 63.922 63.200 -0.125 0.000 0.939 321 S HN 0.123 nan 8.310 nan 0.000 0.504 322 P HA 0.390 nan 4.420 nan 0.000 0.282 322 P C -0.528 176.651 177.300 -0.203 0.000 1.287 322 P CA -0.662 62.254 63.100 -0.307 0.000 0.792 322 P CB 0.565 32.016 31.700 -0.414 0.000 1.163 323 A N 0.474 123.243 122.820 -0.085 0.000 2.462 323 A HA 0.442 4.795 4.320 0.055 0.000 0.243 323 A C 0.260 177.817 177.584 -0.045 0.000 1.076 323 A CA 0.035 52.075 52.037 0.005 0.000 0.773 323 A CB -0.768 18.308 19.000 0.128 0.000 1.010 323 A HN 0.447 nan 8.150 nan 0.000 0.493 324 I N 1.096 121.657 120.570 -0.015 0.000 2.647 324 I HA 0.531 4.734 4.170 0.055 0.000 0.295 324 I C -0.087 176.089 176.117 0.098 0.000 1.078 324 I CA -0.235 61.031 61.300 -0.057 0.000 1.048 324 I CB 2.662 40.621 38.000 -0.067 0.000 1.239 324 I HN 0.746 nan 8.210 nan 0.000 0.421 325 S N 3.259 119.034 115.700 0.125 0.000 2.533 325 S HA 0.821 5.324 4.470 0.055 0.000 0.271 325 S C -0.938 173.728 174.600 0.111 0.000 1.143 325 S CA -0.829 57.473 58.200 0.170 0.000 0.891 325 S CB 1.927 65.255 63.200 0.212 0.000 1.105 325 S HN 0.800 nan 8.310 nan 0.000 0.468 326 A N 2.304 125.155 122.820 0.051 0.000 2.540 326 A HA 0.565 4.918 4.320 0.055 0.000 0.340 326 A C 1.229 178.775 177.584 -0.064 0.000 1.424 326 A CA -0.296 51.707 52.037 -0.057 0.000 0.940 326 A CB -0.723 18.129 19.000 -0.247 0.000 1.149 326 A HN 1.194 nan 8.150 nan 0.000 0.505 327 T N 0.122 114.655 114.554 -0.034 0.000 2.869 327 T HA -0.201 4.183 4.350 0.055 0.000 0.270 327 T C 1.513 176.156 174.700 -0.095 0.000 1.082 327 T CA 1.676 63.729 62.100 -0.079 0.000 1.123 327 T CB -0.286 68.539 68.868 -0.071 0.000 0.856 327 T HN 0.645 nan 8.240 nan 0.000 0.499 328 K N 1.107 121.450 120.400 -0.095 0.000 2.280 328 K HA 0.154 4.507 4.320 0.055 0.000 0.202 328 K C 2.663 179.221 176.600 -0.070 0.000 1.047 328 K CA 0.848 57.077 56.287 -0.097 0.000 0.942 328 K CB -0.366 32.034 32.500 -0.167 0.000 0.739 328 K HN 0.465 nan 8.250 nan 0.000 0.457 329 A N 1.431 124.200 122.820 -0.086 0.000 2.024 329 A HA -0.190 4.163 4.320 0.055 0.000 0.220 329 A C 2.010 179.564 177.584 -0.050 0.000 1.164 329 A CA 1.755 53.751 52.037 -0.069 0.000 0.643 329 A CB -0.444 18.511 19.000 -0.075 0.000 0.806 329 A HN 0.423 nan 8.150 nan 0.000 0.451 330 M N -2.807 116.757 119.600 -0.060 0.000 2.638 330 M HA 0.121 4.634 4.480 0.055 0.000 0.256 330 M C 1.827 178.099 176.300 -0.045 0.000 1.282 330 M CA 1.305 56.572 55.300 -0.055 0.000 1.155 330 M CB -0.389 32.166 32.600 -0.075 0.000 1.345 330 M HN 0.227 nan 8.290 nan 0.000 0.523 331 T N -1.484 113.037 114.554 -0.056 0.000 3.031 331 T HA 0.542 4.925 4.350 0.055 0.000 0.254 331 T C 1.161 175.879 174.700 0.030 0.000 1.060 331 T CA 0.716 62.804 62.100 -0.020 0.000 1.135 331 T CB -0.246 68.621 68.868 -0.001 0.000 0.896 331 T HN 0.793 nan 8.240 nan 0.000 0.472 332 G N 0.809 109.630 108.800 0.035 0.000 2.610 332 G HA2 -0.053 3.940 3.960 0.055 0.000 0.304 332 G HA3 -0.053 3.940 3.960 0.055 0.000 0.304 332 G C -1.058 173.897 174.900 0.091 0.000 1.309 332 G CA -0.334 44.827 45.100 0.100 0.000 0.906 332 G HN 0.760 nan 8.290 nan 0.000 0.521 333 H N 0.991 120.098 119.070 0.062 0.000 2.673 333 H HA 0.596 5.188 4.556 0.060 0.000 0.293 333 H C 1.569 176.853 175.328 -0.074 0.000 1.065 333 H CA 0.117 56.119 56.048 -0.077 0.000 1.236 333 H CB 0.812 30.391 29.762 -0.306 0.000 1.389 333 H HN 0.780 nan 8.280 nan 0.000 0.481 334 S N 4.599 120.420 115.700 0.202 0.000 2.701 334 S HA 0.079 4.582 4.470 0.055 0.000 0.220 334 S C 1.497 176.139 174.600 0.070 0.000 0.954 334 S CA 0.084 58.345 58.200 0.101 0.000 0.936 334 S CB -0.432 62.800 63.200 0.053 0.000 0.777 334 S HN 0.719 nan 8.310 nan 0.000 0.518 335 L N -0.132 121.137 121.223 0.077 0.000 4.142 335 L HA -0.366 4.007 4.340 0.055 0.000 0.053 335 L C 2.302 179.160 176.870 -0.020 0.000 3.897 335 L CA 1.655 56.390 54.840 -0.176 0.000 1.100 335 L CB -2.157 39.766 42.059 -0.227 0.000 3.275 335 L HN 0.453 nan 8.230 nan 0.000 0.858 336 G N -1.323 107.477 108.800 -0.001 0.000 2.408 336 G HA2 0.087 4.080 3.960 0.055 0.000 0.217 336 G HA3 0.087 4.080 3.960 0.055 0.000 0.217 336 G C 1.433 176.344 174.900 0.019 0.000 1.150 336 G CA 1.380 46.495 45.100 0.025 0.000 0.776 336 G HN 0.806 nan 8.290 nan 0.000 0.542 337 A N 0.922 123.754 122.820 0.021 0.000 2.067 337 A HA 0.487 4.840 4.320 0.055 0.000 0.217 337 A C 2.717 180.274 177.584 -0.044 0.000 1.156 337 A CA 1.555 53.590 52.037 -0.004 0.000 0.683 337 A CB -0.501 18.507 19.000 0.014 0.000 0.808 337 A HN 0.681 nan 8.150 nan 0.000 0.455 338 A N 0.067 122.876 122.820 -0.018 0.000 1.958 338 A HA -0.059 4.294 4.320 0.055 0.000 0.221 338 A C 2.376 179.886 177.584 -0.124 0.000 1.178 338 A CA 2.228 54.226 52.037 -0.064 0.000 0.642 338 A CB -1.447 17.524 19.000 -0.049 0.000 0.816 338 A HN 0.734 nan 8.150 nan 0.000 0.453 339 G N -1.049 107.689 108.800 -0.104 0.000 2.480 339 G HA2 -0.172 3.821 3.960 0.055 0.000 0.216 339 G HA3 -0.172 3.821 3.960 0.055 0.000 0.216 339 G C 1.665 176.469 174.900 -0.160 0.000 1.200 339 G CA 1.396 46.417 45.100 -0.132 0.000 0.782 339 G HN 0.647 nan 8.290 nan 0.000 0.554 340 V N 0.272 120.095 119.914 -0.152 0.000 2.379 340 V HA -0.128 4.025 4.120 0.055 0.000 0.245 340 V C 2.802 178.730 176.094 -0.278 0.000 1.044 340 V CA 2.529 64.720 62.300 -0.181 0.000 1.036 340 V CB -0.317 31.424 31.823 -0.137 0.000 0.664 340 V HN 0.526 nan 8.190 nan 0.000 0.453 341 Q N -0.475 119.131 119.800 -0.323 0.000 2.096 341 Q HA -0.282 4.091 4.340 0.055 0.000 0.204 341 Q C 2.157 177.555 176.000 -1.003 0.000 0.982 341 Q CA 2.226 57.670 55.803 -0.599 0.000 0.850 341 Q CB -0.144 28.336 28.738 -0.431 0.000 0.901 341 Q HN 0.700 nan 8.270 nan 0.000 0.422 342 E N 0.105 119.984 120.200 -0.534 0.000 2.208 342 E HA -0.079 4.304 4.350 0.055 0.000 0.193 342 E C 1.768 178.252 176.600 -0.192 0.000 0.988 342 E CA 0.686 56.919 56.400 -0.279 0.000 0.828 342 E CB 0.051 29.695 29.700 -0.092 0.000 0.763 342 E HN 0.347 nan 8.360 nan 0.000 0.478 343 A N 0.545 123.232 122.820 -0.222 0.000 1.968 343 A HA -0.100 4.253 4.320 0.055 0.000 0.217 343 A C 2.054 179.540 177.584 -0.163 0.000 1.169 343 A CA 0.733 52.679 52.037 -0.152 0.000 0.638 343 A CB -0.300 18.607 19.000 -0.155 0.000 0.812 343 A HN 0.153 nan 8.150 nan 0.000 0.446 344 I N -1.449 118.962 120.570 -0.266 0.000 2.233 344 I HA -0.229 3.975 4.170 0.055 0.000 0.243 344 I C 2.209 178.281 176.117 -0.074 0.000 1.093 344 I CA 1.171 62.332 61.300 -0.232 0.000 1.380 344 I CB -0.454 37.365 38.000 -0.303 0.000 1.067 344 I HN 0.380 nan 8.210 nan 0.000 0.413 345 Y N 0.780 121.057 120.300 -0.039 0.000 2.256 345 Y HA -0.218 4.365 4.550 0.055 0.000 0.288 345 Y C 2.889 178.766 175.900 -0.039 0.000 1.155 345 Y CA 0.864 58.950 58.100 -0.025 0.000 1.203 345 Y CB -1.405 37.039 38.460 -0.026 0.000 0.980 345 Y HN 0.116 nan 8.280 nan 0.000 0.530 346 S N -0.273 115.503 115.700 0.127 0.000 2.387 346 S HA -0.066 4.437 4.470 0.055 0.000 0.226 346 S C 2.116 176.745 174.600 0.049 0.000 1.026 346 S CA 0.751 59.013 58.200 0.104 0.000 0.972 346 S CB -0.392 62.876 63.200 0.114 0.000 0.814 346 S HN 0.355 nan 8.310 nan 0.000 0.477 347 L N 0.945 122.185 121.223 0.029 0.000 2.072 347 L HA -0.008 4.365 4.340 0.055 0.000 0.205 347 L C 2.165 179.123 176.870 0.146 0.000 1.079 347 L CA 0.947 55.812 54.840 0.041 0.000 0.752 347 L CB -0.519 41.487 42.059 -0.088 0.000 0.906 347 L HN 0.295 nan 8.230 nan 0.000 0.436 348 L N -0.927 120.403 121.223 0.178 0.000 2.083 348 L HA -0.255 4.118 4.340 0.055 0.000 0.209 348 L C 2.648 179.737 176.870 0.365 0.000 1.083 348 L CA 1.369 56.426 54.840 0.362 0.000 0.752 348 L CB -0.360 41.891 42.059 0.320 0.000 0.899 348 L HN 0.320 nan 8.230 nan 0.000 0.433 349 M N -0.842 118.800 119.600 0.070 0.000 2.132 349 M HA -0.221 4.292 4.480 0.055 0.000 0.263 349 M C 2.270 178.532 176.300 -0.062 0.000 1.065 349 M CA 1.570 56.724 55.300 -0.243 0.000 1.122 349 M CB -0.305 31.907 32.600 -0.646 0.000 1.365 349 M HN 0.207 nan 8.290 nan 0.000 0.411 350 L N 0.383 121.602 121.223 -0.007 0.000 2.141 350 L HA -0.146 4.227 4.340 0.055 0.000 0.209 350 L C 2.121 179.023 176.870 0.053 0.000 1.094 350 L CA 1.909 56.764 54.840 0.025 0.000 0.763 350 L CB -0.524 41.562 42.059 0.046 0.000 0.908 350 L HN 0.190 nan 8.230 nan 0.000 0.437 351 E N -0.941 119.316 120.200 0.095 0.000 2.046 351 E HA -0.167 4.216 4.350 0.055 0.000 0.190 351 E C 1.741 178.226 176.600 -0.193 0.000 0.982 351 E CA 1.494 57.882 56.400 -0.020 0.000 0.800 351 E CB -0.161 29.574 29.700 0.060 0.000 0.756 351 E HN 0.631 nan 8.360 nan 0.000 0.449 352 H N -0.990 118.183 119.070 0.172 0.000 2.524 352 H HA 0.264 4.853 4.556 0.055 0.000 0.280 352 H C 0.526 175.968 175.328 0.190 0.000 1.018 352 H CA 0.486 56.636 56.048 0.170 0.000 1.165 352 H CB 0.264 30.142 29.762 0.194 0.000 1.411 352 H HN 0.313 nan 8.280 nan 0.000 0.569 353 G N 1.951 110.869 108.800 0.198 0.000 2.371 353 G HA2 -0.275 3.718 3.960 0.055 0.000 0.299 353 G HA3 -0.275 3.718 3.960 0.055 0.000 0.299 353 G C -0.116 174.920 174.900 0.225 0.000 1.014 353 G CA 0.923 46.110 45.100 0.145 0.000 1.097 353 G HN 0.568 nan 8.290 nan 0.000 0.512 354 F N -1.710 118.223 119.950 -0.027 0.000 2.754 354 F HA 0.863 5.423 4.527 0.055 0.000 0.320 354 F C -0.851 174.852 175.800 -0.162 0.000 1.156 354 F CA -2.204 55.756 58.000 -0.066 0.000 0.950 354 F CB 1.303 40.279 39.000 -0.040 0.000 1.388 354 F HN 0.038 nan 8.300 nan 0.000 0.485 355 I N 2.200 122.502 120.570 -0.448 0.000 2.478 355 I HA 0.583 4.786 4.170 0.055 0.000 0.287 355 I C -0.244 175.635 176.117 -0.397 0.000 1.042 355 I CA -1.141 59.762 61.300 -0.662 0.000 1.067 355 I CB 1.794 39.600 38.000 -0.323 0.000 1.233 355 I HN 0.972 nan 8.210 nan 0.000 0.431 356 A N 8.559 131.058 122.820 -0.535 0.000 2.445 356 A HA 0.541 4.895 4.320 0.055 0.000 0.242 356 A C -2.399 175.169 177.584 -0.026 0.000 1.075 356 A CA -0.965 51.012 52.037 -0.100 0.000 0.777 356 A CB -0.264 18.655 19.000 -0.135 0.000 1.013 356 A HN 0.431 nan 8.150 nan 0.000 0.493 357 P HA 0.160 nan 4.420 nan 0.000 0.284 357 P C -0.451 176.863 177.300 0.023 0.000 1.253 357 P CA -0.255 62.864 63.100 0.031 0.000 0.800 357 P CB 1.365 33.084 31.700 0.031 0.000 0.961 358 S N 3.287 119.013 115.700 0.043 0.000 2.411 358 S HA 0.323 4.826 4.470 0.055 0.000 0.304 358 S C 0.683 175.296 174.600 0.022 0.000 1.098 358 S CA -0.743 57.482 58.200 0.041 0.000 1.068 358 S CB -1.330 61.929 63.200 0.098 0.000 1.032 358 S HN 0.355 nan 8.310 nan 0.000 0.511 359 I N 2.293 122.859 120.570 -0.006 0.000 2.834 359 I HA 0.480 4.683 4.170 0.055 0.000 0.305 359 I C 0.507 176.607 176.117 -0.028 0.000 1.008 359 I CA -0.492 60.798 61.300 -0.016 0.000 1.273 359 I CB 0.377 38.361 38.000 -0.026 0.000 1.432 359 I HN 0.801 nan 8.210 nan 0.000 0.557 360 N N 1.412 120.091 118.700 -0.035 0.000 2.829 360 N HA -0.153 4.621 4.740 0.055 0.000 0.250 360 N C -0.566 174.916 175.510 -0.046 0.000 1.090 360 N CA 0.458 53.474 53.050 -0.057 0.000 0.781 360 N CB -1.147 37.287 38.487 -0.088 0.000 1.124 360 N HN 0.543 nan 8.380 nan 0.000 0.559 361 I N 1.308 121.869 120.570 -0.014 0.000 2.206 361 I HA 0.037 4.240 4.170 0.055 0.000 0.292 361 I C 1.123 177.236 176.117 -0.008 0.000 1.156 361 I CA 0.059 61.364 61.300 0.009 0.000 1.356 361 I CB 0.241 38.270 38.000 0.048 0.000 1.494 361 I HN 0.157 nan 8.210 nan 0.000 0.601 362 E N 3.256 123.432 120.200 -0.040 0.000 2.478 362 E HA -0.078 4.305 4.350 0.055 0.000 0.198 362 E C 0.453 177.020 176.600 -0.055 0.000 1.046 362 E CA 0.542 56.906 56.400 -0.059 0.000 0.870 362 E CB 0.295 29.934 29.700 -0.102 0.000 0.818 362 E HN 0.550 nan 8.360 nan 0.000 0.527 363 E N 0.803 120.988 120.200 -0.025 0.000 2.539 363 E HA 0.093 4.476 4.350 0.055 0.000 0.332 363 E C -1.355 175.276 176.600 0.052 0.000 0.910 363 E CA -0.439 55.964 56.400 0.005 0.000 0.785 363 E CB 0.740 30.434 29.700 -0.011 0.000 1.406 363 E HN -0.066 nan 8.360 nan 0.000 0.391 364 L N 2.980 124.234 121.223 0.052 0.000 2.492 364 L HA 0.167 4.540 4.340 0.055 0.000 0.280 364 L C 0.082 176.999 176.870 0.079 0.000 1.240 364 L CA 0.808 55.690 54.840 0.069 0.000 0.831 364 L CB 0.613 42.697 42.059 0.042 0.000 1.100 364 L HN 0.581 nan 8.230 nan 0.000 0.505 365 D N 1.987 122.440 120.400 0.089 0.000 2.210 365 D HA 0.017 4.690 4.640 0.055 0.000 0.249 365 D C 0.698 177.025 176.300 0.045 0.000 1.078 365 D CA -0.149 53.903 54.000 0.086 0.000 0.875 365 D CB 1.309 42.182 40.800 0.121 0.000 1.175 365 D HN 0.754 nan 8.370 nan 0.000 0.440 366 E N 2.334 122.562 120.200 0.046 0.000 2.187 366 E HA -0.248 4.135 4.350 0.055 0.000 0.199 366 E C 0.831 177.440 176.600 0.014 0.000 1.004 366 E CA 1.122 57.539 56.400 0.029 0.000 0.813 366 E CB 0.263 29.983 29.700 0.033 0.000 0.736 366 E HN 0.447 nan 8.360 nan 0.000 0.468 367 Q N -0.709 119.102 119.800 0.018 0.000 2.541 367 Q HA -0.008 4.365 4.340 0.055 0.000 0.215 367 Q C 0.568 176.545 176.000 -0.038 0.000 0.977 367 Q CA 0.886 56.690 55.803 0.002 0.000 0.934 367 Q CB 0.524 29.276 28.738 0.022 0.000 0.988 367 Q HN 0.303 nan 8.270 nan 0.000 0.521 368 A N -0.339 122.448 122.820 -0.056 0.000 2.827 368 A HA 0.565 4.918 4.320 0.055 0.000 0.300 368 A C 1.440 178.987 177.584 -0.061 0.000 1.237 368 A CA 0.454 52.428 52.037 -0.105 0.000 0.964 368 A CB -0.122 18.775 19.000 -0.171 0.000 1.143 368 A HN 0.209 nan 8.150 nan 0.000 0.554 369 A N 0.591 123.391 122.820 -0.033 0.000 2.292 369 A HA 0.006 4.359 4.320 0.055 0.000 0.215 369 A C 1.806 179.378 177.584 -0.020 0.000 1.339 369 A CA 1.772 53.798 52.037 -0.018 0.000 0.895 369 A CB -1.266 17.730 19.000 -0.008 0.000 0.795 369 A HN 1.284 nan 8.150 nan 0.000 0.529 370 G N -0.562 108.228 108.800 -0.016 0.000 3.939 370 G HA2 0.491 4.484 3.960 0.055 0.000 0.268 370 G HA3 0.491 4.484 3.960 0.055 0.000 0.268 370 G C -0.327 174.559 174.900 -0.023 0.000 1.172 370 G CA -0.348 44.744 45.100 -0.014 0.000 1.614 370 G HN 0.327 nan 8.290 nan 0.000 0.639 371 L N 0.326 121.524 121.223 -0.042 0.000 2.346 371 L HA 0.363 4.736 4.340 0.055 0.000 0.276 371 L C -0.217 176.616 176.870 -0.061 0.000 1.006 371 L CA -1.233 53.570 54.840 -0.062 0.000 0.817 371 L CB 2.087 44.088 42.059 -0.097 0.000 1.272 371 L HN 0.024 nan 8.230 nan 0.000 0.421 372 N N 3.638 122.298 118.700 -0.066 0.000 2.819 372 N HA 0.117 4.890 4.740 0.055 0.000 0.284 372 N C -0.588 174.901 175.510 -0.035 0.000 1.196 372 N CA -0.170 52.852 53.050 -0.047 0.000 1.114 372 N CB 0.039 38.494 38.487 -0.054 0.000 1.437 372 N HN 0.345 nan 8.380 nan 0.000 0.518 373 I N 3.576 124.132 120.570 -0.023 0.000 2.269 373 I HA 0.102 4.305 4.170 0.055 0.000 0.293 373 I C 0.184 176.323 176.117 0.038 0.000 1.106 373 I CA -0.591 60.715 61.300 0.010 0.000 1.248 373 I CB 0.034 38.036 38.000 0.003 0.000 1.444 373 I HN -0.044 nan 8.210 nan 0.000 0.497 374 V N 6.748 126.695 119.914 0.055 0.000 2.485 374 V HA 0.034 4.187 4.120 0.055 0.000 0.287 374 V C 1.503 177.632 176.094 0.058 0.000 1.022 374 V CA 0.313 62.645 62.300 0.055 0.000 1.067 374 V CB 0.603 32.465 31.823 0.065 0.000 0.967 374 V HN 0.866 nan 8.190 nan 0.000 0.479 375 T N 0.398 114.977 114.554 0.043 0.000 3.085 375 T HA 0.262 4.645 4.350 0.055 0.000 0.264 375 T C 0.184 174.901 174.700 0.029 0.000 1.019 375 T CA -0.193 61.930 62.100 0.038 0.000 0.910 375 T CB -0.125 68.763 68.868 0.033 0.000 1.059 375 T HN 0.834 nan 8.240 nan 0.000 0.542 376 E N 0.547 120.765 120.200 0.031 0.000 2.308 376 E HA 0.348 4.731 4.350 0.055 0.000 0.275 376 E C -1.435 175.192 176.600 0.045 0.000 0.890 376 E CA -0.987 55.431 56.400 0.030 0.000 0.754 376 E CB 1.122 30.835 29.700 0.022 0.000 1.207 376 E HN -0.055 nan 8.360 nan 0.000 0.426 377 T N 2.814 117.403 114.554 0.059 0.000 2.800 377 T HA 0.051 4.434 4.350 0.055 0.000 0.283 377 T C -0.335 174.422 174.700 0.096 0.000 0.999 377 T CA 0.634 62.802 62.100 0.113 0.000 1.176 377 T CB 0.027 68.953 68.868 0.097 0.000 0.973 377 T HN 0.432 nan 8.240 nan 0.000 0.519 378 T N 4.250 118.873 114.554 0.116 0.000 2.840 378 T HA 0.217 4.600 4.350 0.055 0.000 0.287 378 T C -0.363 174.403 174.700 0.109 0.000 0.991 378 T CA -0.928 61.219 62.100 0.078 0.000 0.964 378 T CB 1.057 69.949 68.868 0.040 0.000 0.954 378 T HN 0.477 nan 8.240 nan 0.000 0.438 379 D N 3.115 123.571 120.400 0.093 0.000 2.339 379 D HA 0.358 5.031 4.640 0.055 0.000 0.256 379 D C 0.343 176.682 176.300 0.065 0.000 1.214 379 D CA 0.004 54.065 54.000 0.103 0.000 0.877 379 D CB 1.294 42.131 40.800 0.062 0.000 1.111 379 D HN 0.259 nan 8.370 nan 0.000 0.478 380 R N 1.061 121.598 120.500 0.063 0.000 2.799 380 R HA 0.217 4.591 4.340 0.055 0.000 0.270 380 R C -1.210 175.107 176.300 0.029 0.000 1.010 380 R CA -0.585 55.533 56.100 0.030 0.000 0.916 380 R CB 1.272 31.576 30.300 0.006 0.000 1.228 380 R HN 0.003 nan 8.270 nan 0.000 0.469 381 E N 2.717 122.928 120.200 0.019 0.000 2.079 381 E HA 0.231 4.614 4.350 0.055 0.000 0.252 381 E C -0.581 176.026 176.600 0.012 0.000 0.992 381 E CA -0.200 56.210 56.400 0.017 0.000 0.829 381 E CB 0.306 30.015 29.700 0.014 0.000 1.158 381 E HN 0.418 nan 8.360 nan 0.000 0.435 382 L N 1.132 122.360 121.223 0.009 0.000 2.397 382 L HA 0.253 4.626 4.340 0.055 0.000 0.271 382 L C 1.302 178.183 176.870 0.018 0.000 1.148 382 L CA 0.039 54.885 54.840 0.011 0.000 0.825 382 L CB 0.668 42.723 42.059 -0.006 0.000 1.117 382 L HN 0.293 nan 8.230 nan 0.000 0.456 383 T N -1.139 113.429 114.554 0.024 0.000 2.980 383 T HA 0.087 4.470 4.350 0.055 0.000 0.252 383 T C 0.205 174.923 174.700 0.030 0.000 0.962 383 T CA 0.232 62.346 62.100 0.023 0.000 0.932 383 T CB 0.686 69.565 68.868 0.018 0.000 1.188 383 T HN 0.609 nan 8.240 nan 0.000 0.500 384 T N 2.748 117.325 114.554 0.039 0.000 3.050 384 T HA 0.602 4.985 4.350 0.055 0.000 0.310 384 T C -0.667 174.069 174.700 0.061 0.000 0.978 384 T CA -0.668 61.459 62.100 0.045 0.000 1.013 384 T CB 1.843 70.735 68.868 0.040 0.000 1.000 384 T HN 0.177 nan 8.240 nan 0.000 0.447 385 V N 1.355 121.312 119.914 0.072 0.000 2.881 385 V HA 0.873 5.027 4.120 0.055 0.000 0.316 385 V C -0.389 175.734 176.094 0.050 0.000 1.070 385 V CA -1.202 61.157 62.300 0.099 0.000 0.976 385 V CB 2.156 34.088 31.823 0.181 0.000 1.038 385 V HN 0.938 nan 8.190 nan 0.000 0.446 386 M N 2.426 122.024 119.600 -0.003 0.000 2.446 386 M HA 0.696 5.209 4.480 0.055 0.000 0.294 386 M C -1.128 175.130 176.300 -0.070 0.000 1.158 386 M CA -0.205 55.086 55.300 -0.014 0.000 0.899 386 M CB 2.253 34.865 32.600 0.020 0.000 1.687 386 M HN 0.916 nan 8.290 nan 0.000 0.455 387 S N 2.971 118.642 115.700 -0.048 0.000 2.561 387 S HA 0.614 5.117 4.470 0.055 0.000 0.303 387 S C -1.402 173.127 174.600 -0.119 0.000 1.110 387 S CA -0.756 57.390 58.200 -0.089 0.000 1.034 387 S CB 1.055 64.211 63.200 -0.073 0.000 1.010 387 S HN 0.820 nan 8.310 nan 0.000 0.482 388 N N 2.119 120.698 118.700 -0.202 0.000 2.399 388 N HA 0.509 5.283 4.740 0.055 0.000 0.295 388 N C -1.349 173.797 175.510 -0.606 0.000 1.048 388 N CA -0.378 52.453 53.050 -0.365 0.000 0.886 388 N CB 1.897 40.141 38.487 -0.406 0.000 1.185 388 N HN 0.434 nan 8.380 nan 0.000 0.487 389 S N 1.735 117.057 115.700 -0.631 0.000 2.647 389 S HA 0.616 5.119 4.470 0.055 0.000 0.300 389 S C -1.143 173.219 174.600 -0.396 0.000 1.129 389 S CA -0.602 57.289 58.200 -0.513 0.000 1.029 389 S CB 0.463 63.508 63.200 -0.258 0.000 1.007 389 S HN 0.276 nan 8.310 nan 0.000 0.484 390 F N 1.029 120.979 119.950 -0.000 0.000 2.546 390 F HA 0.883 5.442 4.527 0.053 0.000 0.320 390 F C 0.738 176.549 175.800 0.018 0.000 1.076 390 F CA -1.111 56.908 58.000 0.032 0.000 0.928 390 F CB 1.834 40.862 39.000 0.046 0.000 1.189 390 F HN 0.666 nan 8.300 nan 0.000 0.465 391 G N 0.501 109.450 108.800 0.248 0.000 2.672 391 G HA2 0.588 4.581 3.960 0.055 0.000 0.292 391 G HA3 0.588 4.581 3.960 0.055 0.000 0.292 391 G C -1.593 173.446 174.900 0.232 0.000 1.375 391 G CA -0.743 44.419 45.100 0.104 0.000 0.890 391 G HN 0.188 nan 8.290 nan 0.000 0.476 392 F N 0.389 120.419 119.950 0.133 0.000 2.589 392 F HA 0.386 4.941 4.527 0.047 0.000 0.352 392 F C 1.712 177.563 175.800 0.086 0.000 1.168 392 F CA 1.041 59.105 58.000 0.106 0.000 1.353 392 F CB 0.659 39.719 39.000 0.100 0.000 1.116 392 F HN 1.168 nan 8.300 nan 0.000 0.608 393 G N 0.461 109.413 108.800 0.253 0.000 2.141 393 G HA2 0.034 4.027 3.960 0.055 0.000 0.242 393 G HA3 0.034 4.027 3.960 0.055 0.000 0.242 393 G C 0.898 175.871 174.900 0.122 0.000 0.982 393 G CA 0.317 45.504 45.100 0.144 0.000 0.662 393 G HN 1.874 nan 8.290 nan 0.000 0.527 394 G N -0.890 107.997 108.800 0.145 0.000 2.341 394 G HA2 0.039 4.032 3.960 0.055 0.000 0.292 394 G HA3 0.039 4.032 3.960 0.055 0.000 0.292 394 G C 0.421 175.384 174.900 0.106 0.000 1.021 394 G CA 1.463 46.624 45.100 0.101 0.000 0.905 394 G HN 1.938 nan 8.290 nan 0.000 0.508 395 T N 0.279 114.929 114.554 0.160 0.000 2.806 395 T HA 0.561 4.944 4.350 0.055 0.000 0.290 395 T C 0.037 174.906 174.700 0.281 0.000 0.966 395 T CA -0.581 61.635 62.100 0.193 0.000 1.060 395 T CB 0.340 69.328 68.868 0.200 0.000 0.927 395 T HN 0.332 nan 8.240 nan 0.000 0.485 396 N N 2.701 121.580 118.700 0.298 0.000 2.238 396 N HA 0.707 5.480 4.740 0.055 0.000 0.302 396 N C -1.379 174.304 175.510 0.289 0.000 1.072 396 N CA -0.633 52.629 53.050 0.352 0.000 0.792 396 N CB 2.141 40.786 38.487 0.264 0.000 1.425 396 N HN 0.750 nan 8.380 nan 0.000 0.478 397 A N 0.681 123.579 122.820 0.130 0.000 2.427 397 A HA 0.728 5.081 4.320 0.055 0.000 0.298 397 A C -0.899 176.681 177.584 -0.006 0.000 1.036 397 A CA -0.484 51.514 52.037 -0.064 0.000 0.701 397 A CB 1.264 19.941 19.000 -0.540 0.000 1.250 397 A HN 0.435 nan 8.150 nan 0.000 0.412 398 T N 2.585 117.170 114.554 0.051 0.000 2.881 398 T HA 0.604 4.987 4.350 0.055 0.000 0.290 398 T C -0.859 173.910 174.700 0.115 0.000 1.000 398 T CA -0.206 61.926 62.100 0.053 0.000 0.978 398 T CB 0.811 69.720 68.868 0.069 0.000 0.997 398 T HN 0.500 nan 8.240 nan 0.000 0.443 399 L N 2.907 124.172 121.223 0.069 0.000 2.365 399 L HA 0.785 5.158 4.340 0.055 0.000 0.273 399 L C -0.807 176.094 176.870 0.052 0.000 1.000 399 L CA -1.140 53.748 54.840 0.079 0.000 0.819 399 L CB 2.076 44.145 42.059 0.017 0.000 1.284 399 L HN 0.332 nan 8.230 nan 0.000 0.418 400 V N 3.826 123.778 119.914 0.064 0.000 2.407 400 V HA 0.496 4.649 4.120 0.055 0.000 0.291 400 V C -0.175 175.943 176.094 0.041 0.000 1.018 400 V CA -0.366 61.967 62.300 0.055 0.000 0.842 400 V CB 1.675 33.539 31.823 0.068 0.000 0.996 400 V HN 0.709 nan 8.190 nan 0.000 0.426 401 M N 5.256 124.876 119.600 0.033 0.000 2.311 401 M HA 0.650 5.163 4.480 0.055 0.000 0.325 401 M C -0.470 175.849 176.300 0.031 0.000 1.061 401 M CA -0.344 54.970 55.300 0.024 0.000 0.957 401 M CB 2.333 34.941 32.600 0.013 0.000 1.646 401 M HN 0.560 nan 8.290 nan 0.000 0.434 402 R N 1.694 122.209 120.500 0.025 0.000 2.686 402 R HA 0.460 4.833 4.340 0.055 0.000 0.283 402 R C -1.036 175.275 176.300 0.018 0.000 0.978 402 R CA -0.801 55.314 56.100 0.025 0.000 0.897 402 R CB 1.919 32.234 30.300 0.025 0.000 1.192 402 R HN 0.621 nan 8.270 nan 0.000 0.457 403 K N 2.749 123.159 120.400 0.017 0.000 2.448 403 K HA -0.010 4.343 4.320 0.055 0.000 0.278 403 K C 0.107 176.709 176.600 0.003 0.000 1.009 403 K CA -0.186 56.106 56.287 0.008 0.000 0.995 403 K CB 0.410 32.914 32.500 0.007 0.000 0.917 403 K HN 0.294 nan 8.250 nan 0.000 0.481 404 L N 3.348 124.568 121.223 -0.005 0.000 2.482 404 L HA -0.038 4.335 4.340 0.055 0.000 0.273 404 L C 0.204 177.072 176.870 -0.004 0.000 1.228 404 L CA 0.585 55.422 54.840 -0.006 0.000 0.827 404 L CB 0.285 42.336 42.059 -0.014 0.000 1.099 404 L HN 0.490 nan 8.230 nan 0.000 0.494 405 K N 1.647 122.046 120.400 -0.002 0.000 2.457 405 K HA 0.383 4.736 4.320 0.055 0.000 0.269 405 K C -0.112 176.487 176.600 -0.003 0.000 0.969 405 K CA 1.001 57.287 56.287 -0.001 0.000 0.921 405 K CB -0.304 32.196 32.500 -0.000 0.000 0.940 405 K HN 0.837 nan 8.250 nan 0.000 0.517 406 D N 0.000 120.399 120.400 -0.002 0.000 6.856 406 D HA 0.000 4.673 4.640 0.055 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683