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 1uzd_1_B DATA FIRST_RESID 9 DATA SEQUENCE AGAGFKAGVK DYRLTYYTPD YVVRDTDILA AFRMTPQPGV PPEECGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTSLD RYKGRCYDIE PVPGEDNQYI AYVAYXIDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPPAYVKTF VGXPHGIQVE DATA SEQUENCE RDKLNKYGRG LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFVAEAIYKA QAETGEVKGH YLNATAGTCE EMMKRAVXAK DATA SEQUENCE ELGVPIIMHD YLTGGFTANT SLAIYCRDNG LLLHIHRAMH AVIDRQRNHG DATA SEQUENCE IHFRVLAKAL RMSGGDHLHS GTVVGKLEGE REVTLGFVDL MRDDYVEKDR DATA SEQUENCE SRGIYFTQDW XSMPGVMPVA SGGIHVWHMP ALVEIFGDDA CLQFGGGTLG DATA SEQUENCE HPWGNAPGAA ANRVALEACT QARNEGRDLA REGGDVIRSA CKWSPELAAA DATA SEQUENCE CEVWKEIKFE FDTIDKL 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.587 177.584 0.005 0.000 1.274 9 A CA 0.000 52.039 52.037 0.003 0.000 0.836 9 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 10 G N 0.322 109.128 108.800 0.009 0.000 2.664 10 G HA2 0.553 4.513 3.960 0.001 0.000 0.242 10 G HA3 0.553 4.513 3.960 0.001 0.000 0.242 10 G C 0.626 175.537 174.900 0.017 0.000 1.225 10 G CA 0.241 45.348 45.100 0.012 0.000 0.849 10 G HN 1.630 nan 8.290 nan 0.000 0.581 11 A N 0.512 123.343 122.820 0.018 0.000 2.526 11 A HA 0.512 4.832 4.320 0.001 0.000 0.267 11 A C 1.126 178.739 177.584 0.049 0.000 1.095 11 A CA 0.565 52.618 52.037 0.026 0.000 0.775 11 A CB -0.516 18.496 19.000 0.021 0.000 1.036 11 A HN 1.237 nan 8.150 nan 0.000 0.510 12 G N 0.861 109.694 108.800 0.054 0.000 2.583 12 G HA2 0.500 4.460 3.960 0.001 0.000 0.280 12 G HA3 0.500 4.460 3.960 0.001 0.000 0.280 12 G C -0.453 174.543 174.900 0.161 0.000 1.376 12 G CA -0.667 44.489 45.100 0.093 0.000 1.043 12 G HN 0.751 nan 8.290 nan 0.000 0.538 13 F N 0.938 120.908 119.950 0.034 0.000 2.411 13 F HA 0.554 5.082 4.527 0.001 0.000 0.355 13 F C 0.180 175.995 175.800 0.025 0.000 1.117 13 F CA -1.199 56.832 58.000 0.052 0.000 1.139 13 F CB 1.099 40.157 39.000 0.098 0.000 1.120 13 F HN 0.117 nan 8.300 nan 0.000 0.493 14 K N 6.227 126.374 120.400 -0.423 0.000 2.507 14 K HA 0.594 4.914 4.320 0.001 0.000 0.253 14 K C -0.794 175.410 176.600 -0.660 0.000 0.969 14 K CA -0.587 55.377 56.287 -0.538 0.000 0.908 14 K CB 1.243 33.609 32.500 -0.222 0.000 1.127 14 K HN 0.836 nan 8.250 nan 0.000 0.437 15 A N 2.355 124.630 122.820 -0.909 0.000 2.483 15 A HA 0.569 4.889 4.320 0.001 0.000 0.238 15 A C 0.475 177.926 177.584 -0.222 0.000 1.070 15 A CA 0.955 52.703 52.037 -0.481 0.000 0.770 15 A CB 0.046 18.856 19.000 -0.318 0.000 1.008 15 A HN 0.956 nan 8.150 nan 0.000 0.497 16 G N -0.689 108.027 108.800 -0.140 0.000 2.392 16 G HA2 0.332 4.292 3.960 0.001 0.000 0.677 16 G HA3 0.332 4.292 3.960 0.001 0.000 0.677 16 G C -0.883 173.940 174.900 -0.129 0.000 1.334 16 G CA -0.470 44.562 45.100 -0.114 0.000 0.961 16 G HN 1.403 nan 8.290 nan 0.000 0.616 17 V N 1.609 121.470 119.914 -0.088 0.000 2.583 17 V HA 0.631 4.751 4.120 0.001 0.000 0.287 17 V C 0.757 176.807 176.094 -0.072 0.000 1.051 17 V CA 0.827 63.078 62.300 -0.082 0.000 1.010 17 V CB 1.128 32.970 31.823 0.031 0.000 0.988 17 V HN 1.096 nan 8.190 nan 0.000 0.478 18 K N 1.914 122.252 120.400 -0.104 0.000 2.495 18 K HA 0.571 4.891 4.320 0.001 0.000 0.268 18 K C -1.444 175.086 176.600 -0.117 0.000 1.008 18 K CA -1.070 55.170 56.287 -0.079 0.000 0.882 18 K CB 1.715 34.181 32.500 -0.057 0.000 1.443 18 K HN 0.336 nan 8.250 nan 0.000 0.447 19 D N 0.931 121.298 120.400 -0.055 0.000 2.414 19 D HA 0.053 4.693 4.640 0.001 0.000 0.242 19 D C 0.596 176.901 176.300 0.009 0.000 1.129 19 D CA 0.152 54.138 54.000 -0.023 0.000 0.885 19 D CB 0.264 41.087 40.800 0.037 0.000 1.198 19 D HN 0.447 nan 8.370 nan 0.000 0.437 20 Y N 1.240 121.603 120.300 0.106 0.000 2.274 20 Y HA -0.205 4.346 4.550 0.001 0.000 0.290 20 Y C 2.392 178.422 175.900 0.217 0.000 1.145 20 Y CA 1.138 59.345 58.100 0.178 0.000 1.203 20 Y CB -0.251 38.249 38.460 0.067 0.000 0.984 20 Y HN 0.458 nan 8.280 nan 0.000 0.533 21 R N 0.452 121.118 120.500 0.278 0.000 2.189 21 R HA -0.109 4.231 4.340 0.001 0.000 0.223 21 R C 1.577 177.993 176.300 0.194 0.000 1.092 21 R CA 1.465 57.703 56.100 0.230 0.000 0.989 21 R CB -0.993 29.384 30.300 0.129 0.000 0.876 21 R HN 0.352 nan 8.270 nan 0.000 0.457 22 L N 0.705 122.006 121.223 0.130 0.000 2.275 22 L HA -0.049 4.291 4.340 0.001 0.000 0.215 22 L C 1.441 178.314 176.870 0.005 0.000 1.119 22 L CA 1.356 56.233 54.840 0.062 0.000 0.790 22 L CB -0.198 41.880 42.059 0.032 0.000 0.919 22 L HN 0.300 nan 8.230 nan 0.000 0.443 23 T N -3.107 111.435 114.554 -0.019 0.000 3.019 23 T HA 0.058 4.408 4.350 0.001 0.000 0.247 23 T C 1.055 175.527 174.700 -0.380 0.000 0.992 23 T CA 0.259 62.190 62.100 -0.282 0.000 1.036 23 T CB 0.141 68.698 68.868 -0.518 0.000 1.063 23 T HN 0.116 nan 8.240 nan 0.000 0.476 24 Y N -0.391 119.954 120.300 0.075 0.000 2.444 24 Y HA 0.412 4.962 4.550 0.001 0.000 0.249 24 Y C 0.099 176.053 175.900 0.091 0.000 1.134 24 Y CA -1.161 56.968 58.100 0.048 0.000 1.261 24 Y CB 0.421 38.908 38.460 0.046 0.000 1.143 24 Y HN 0.161 nan 8.280 nan 0.000 0.523 25 Y N 2.420 122.774 120.300 0.090 0.000 2.404 25 Y HA 0.404 4.954 4.550 0.001 0.000 0.344 25 Y C 0.014 175.934 175.900 0.033 0.000 0.970 25 Y CA -1.409 56.721 58.100 0.050 0.000 1.180 25 Y CB 0.567 39.051 38.460 0.040 0.000 1.138 25 Y HN 0.030 nan 8.280 nan 0.000 0.510 26 T N 5.735 120.104 114.554 -0.309 0.000 3.317 26 T HA 0.285 4.635 4.350 0.001 0.000 0.361 26 T C -2.431 172.118 174.700 -0.251 0.000 1.499 26 T CA -1.784 60.151 62.100 -0.275 0.000 1.529 26 T CB 1.177 69.973 68.868 -0.120 0.000 0.997 26 T HN 0.453 nan 8.240 nan 0.000 0.624 27 P HA 0.127 nan 4.420 nan 0.000 0.237 27 P C 0.137 177.413 177.300 -0.040 0.000 1.178 27 P CA 0.535 63.489 63.100 -0.243 0.000 0.766 27 P CB 0.253 31.760 31.700 -0.322 0.000 0.876 28 D N -1.884 118.497 120.400 -0.033 0.000 2.369 28 D HA 0.020 4.660 4.640 0.001 0.000 0.211 28 D C 0.275 176.600 176.300 0.042 0.000 1.077 28 D CA -0.351 53.651 54.000 0.004 0.000 0.842 28 D CB -0.410 40.380 40.800 -0.018 0.000 0.947 28 D HN 0.180 nan 8.370 nan 0.000 0.509 29 Y N 1.827 122.093 120.300 -0.055 0.000 2.526 29 Y HA 0.148 4.698 4.550 0.001 0.000 0.330 29 Y C -0.130 175.706 175.900 -0.107 0.000 1.156 29 Y CA -0.270 57.785 58.100 -0.076 0.000 1.419 29 Y CB 0.631 39.048 38.460 -0.071 0.000 1.250 29 Y HN -0.334 nan 8.280 nan 0.000 0.540 30 V N 8.629 128.127 119.914 -0.693 0.000 2.385 30 V HA 0.198 4.318 4.120 0.001 0.000 0.269 30 V C -0.094 175.363 176.094 -1.062 0.000 1.043 30 V CA -0.719 61.199 62.300 -0.637 0.000 0.906 30 V CB 0.588 32.182 31.823 -0.380 0.000 0.995 30 V HN 0.739 nan 8.190 nan 0.000 0.467 31 V N 4.443 123.911 119.914 -0.744 0.000 2.843 31 V HA 0.443 4.564 4.120 0.001 0.000 0.305 31 V C 0.347 176.230 176.094 -0.350 0.000 1.065 31 V CA -0.490 61.471 62.300 -0.565 0.000 1.116 31 V CB 0.404 31.955 31.823 -0.454 0.000 0.968 31 V HN 0.853 nan 8.190 nan 0.000 0.487 32 R N 2.772 123.154 120.500 -0.197 0.000 2.486 32 R HA 0.356 4.696 4.340 0.001 0.000 0.286 32 R C 0.348 176.603 176.300 -0.074 0.000 0.999 32 R CA -0.609 55.421 56.100 -0.116 0.000 0.993 32 R CB 0.919 31.193 30.300 -0.043 0.000 1.084 32 R HN 0.780 nan 8.270 nan 0.000 0.487 33 D N 0.523 120.888 120.400 -0.059 0.000 2.309 33 D HA -0.113 4.527 4.640 0.001 0.000 0.212 33 D C 1.440 177.726 176.300 -0.025 0.000 0.968 33 D CA 1.531 55.506 54.000 -0.041 0.000 0.882 33 D CB 0.118 40.902 40.800 -0.026 0.000 0.918 33 D HN 0.639 nan 8.370 nan 0.000 0.503 34 T N -2.558 111.991 114.554 -0.008 0.000 3.081 34 T HA 0.026 4.377 4.350 0.001 0.000 0.250 34 T C 0.515 175.227 174.700 0.021 0.000 1.100 34 T CA -0.478 61.631 62.100 0.015 0.000 1.038 34 T CB 0.297 69.186 68.868 0.036 0.000 0.962 34 T HN -0.230 nan 8.240 nan 0.000 0.516 35 D N 1.651 122.060 120.400 0.014 0.000 2.414 35 D HA 0.325 4.965 4.640 0.001 0.000 0.242 35 D C -0.167 176.130 176.300 -0.006 0.000 1.129 35 D CA -0.390 53.637 54.000 0.045 0.000 0.885 35 D CB 0.647 41.478 40.800 0.052 0.000 1.198 35 D HN 0.193 nan 8.370 nan 0.000 0.437 36 I N 2.175 122.771 120.570 0.042 0.000 2.395 36 I HA 0.145 4.316 4.170 0.001 0.000 0.289 36 I C 0.004 176.167 176.117 0.076 0.000 1.023 36 I CA -0.100 61.163 61.300 -0.060 0.000 1.350 36 I CB 0.566 38.422 38.000 -0.241 0.000 1.409 36 I HN 0.065 nan 8.210 nan 0.000 0.507 37 L N 6.243 127.379 121.223 -0.144 0.000 2.346 37 L HA 0.848 5.189 4.340 0.001 0.000 0.276 37 L C -0.154 176.615 176.870 -0.167 0.000 1.006 37 L CA -0.773 53.980 54.840 -0.145 0.000 0.817 37 L CB 1.613 43.367 42.059 -0.509 0.000 1.272 37 L HN 0.649 nan 8.230 nan 0.000 0.421 38 A N 2.282 125.199 122.820 0.162 0.000 2.350 38 A HA 0.888 5.209 4.320 0.001 0.000 0.324 38 A C -0.537 177.096 177.584 0.082 0.000 1.118 38 A CA -0.540 51.529 52.037 0.053 0.000 0.783 38 A CB 1.660 20.641 19.000 -0.032 0.000 1.236 38 A HN 0.758 nan 8.150 nan 0.000 0.457 39 A N 1.819 124.548 122.820 -0.153 0.000 2.277 39 A HA 0.704 5.024 4.320 0.001 0.000 0.318 39 A C -1.172 176.043 177.584 -0.616 0.000 1.339 39 A CA -0.288 51.449 52.037 -0.500 0.000 0.875 39 A CB -0.172 18.369 19.000 -0.764 0.000 1.158 39 A HN 0.603 nan 8.150 nan 0.000 0.514 40 F N 1.546 121.295 119.950 -0.336 0.000 2.415 40 F HA 0.463 4.991 4.527 0.000 0.000 0.348 40 F C 0.941 176.595 175.800 -0.243 0.000 1.119 40 F CA -0.319 57.525 58.000 -0.259 0.000 1.069 40 F CB 1.573 40.431 39.000 -0.236 0.000 1.124 40 F HN 0.599 nan 8.300 nan 0.000 0.472 41 R N 5.255 125.752 120.500 -0.006 0.000 2.216 41 R HA 0.467 4.807 4.340 0.001 0.000 0.332 41 R C -0.989 175.329 176.300 0.029 0.000 1.056 41 R CA -0.221 55.883 56.100 0.007 0.000 0.901 41 R CB 0.530 30.836 30.300 0.010 0.000 1.039 41 R HN 0.846 nan 8.270 nan 0.000 0.456 42 M N 3.536 123.162 119.600 0.044 0.000 2.321 42 M HA 0.303 4.783 4.480 0.001 0.000 0.315 42 M C -1.299 175.056 176.300 0.092 0.000 1.052 42 M CA -0.358 54.955 55.300 0.021 0.000 0.936 42 M CB 2.444 35.037 32.600 -0.011 0.000 1.639 42 M HN 0.467 nan 8.290 nan 0.000 0.433 43 T N 5.958 120.549 114.554 0.063 0.000 2.977 43 T HA 0.470 4.821 4.350 0.001 0.000 0.346 43 T C -2.671 172.069 174.700 0.067 0.000 1.140 43 T CA -1.102 61.050 62.100 0.087 0.000 1.040 43 T CB 0.921 69.831 68.868 0.070 0.000 1.046 43 T HN 0.398 nan 8.240 nan 0.000 0.494 44 P HA 0.177 nan 4.420 nan 0.000 0.274 44 P C 0.066 177.392 177.300 0.043 0.000 1.231 44 P CA -0.643 62.479 63.100 0.036 0.000 0.790 44 P CB 0.583 32.292 31.700 0.015 0.000 0.951 45 Q N 2.182 122.000 119.800 0.030 0.000 2.421 45 Q HA 0.153 4.493 4.340 0.001 0.000 0.255 45 Q C -1.913 174.104 176.000 0.029 0.000 1.013 45 Q CA -1.343 54.478 55.803 0.030 0.000 0.895 45 Q CB -0.584 28.171 28.738 0.028 0.000 1.271 45 Q HN 0.357 nan 8.270 nan 0.000 0.460 46 P HA -0.058 nan 4.420 nan 0.000 0.262 46 P C 0.524 177.836 177.300 0.020 0.000 1.182 46 P CA 0.939 64.054 63.100 0.026 0.000 0.761 46 P CB 0.265 31.978 31.700 0.022 0.000 0.795 47 G N 1.544 110.355 108.800 0.017 0.000 2.176 47 G HA2 -0.204 3.757 3.960 0.001 0.000 0.253 47 G HA3 -0.204 3.757 3.960 0.001 0.000 0.253 47 G C -0.074 174.828 174.900 0.004 0.000 0.979 47 G CA -0.099 45.008 45.100 0.011 0.000 0.641 47 G HN 0.543 nan 8.290 nan 0.000 0.530 48 V N 2.648 122.562 119.914 -0.000 0.000 2.364 48 V HA 0.454 4.574 4.120 0.001 0.000 0.272 48 V C -1.587 174.473 176.094 -0.058 0.000 1.036 48 V CA -1.563 60.729 62.300 -0.015 0.000 0.880 48 V CB 1.414 33.234 31.823 -0.004 0.000 0.991 48 V HN 0.141 nan 8.190 nan 0.000 0.460 49 P HA 0.168 nan 4.420 nan 0.000 0.268 49 P C -1.929 175.227 177.300 -0.240 0.000 1.204 49 P CA -1.321 61.695 63.100 -0.140 0.000 0.768 49 P CB 0.241 31.869 31.700 -0.120 0.000 0.842 50 P HA -0.210 nan 4.420 nan 0.000 0.216 50 P C 1.057 178.082 177.300 -0.457 0.000 1.150 50 P CA 1.618 64.368 63.100 -0.583 0.000 0.843 50 P CB 0.135 31.183 31.700 -1.086 0.000 0.787 51 E N -0.296 119.621 120.200 -0.472 0.000 2.077 51 E HA -0.208 4.143 4.350 0.001 0.000 0.193 51 E C 2.113 178.477 176.600 -0.392 0.000 0.989 51 E CA 1.239 57.250 56.400 -0.648 0.000 0.800 51 E CB -0.550 28.637 29.700 -0.855 0.000 0.746 51 E HN 0.256 nan 8.360 nan 0.000 0.452 52 E N 0.078 120.137 120.200 -0.235 0.000 2.106 52 E HA -0.134 4.217 4.350 0.001 0.000 0.192 52 E C 1.823 178.352 176.600 -0.119 0.000 0.984 52 E CA 0.858 57.204 56.400 -0.090 0.000 0.806 52 E CB -0.497 29.190 29.700 -0.022 0.000 0.750 52 E HN 0.263 nan 8.360 nan 0.000 0.458 53 C N -0.392 118.796 119.300 -0.186 0.000 2.436 53 C HA 0.014 4.475 4.460 0.001 0.000 0.277 53 C C 2.671 177.480 174.990 -0.301 0.000 1.241 53 C CA 1.411 60.292 59.018 -0.229 0.000 1.721 53 C CB -1.359 26.254 27.740 -0.212 0.000 2.043 53 C HN 0.671 nan 8.230 nan 0.000 0.472 54 G N -0.163 108.475 108.800 -0.271 0.000 2.440 54 G HA2 -0.106 3.854 3.960 0.001 0.000 0.218 54 G HA3 -0.106 3.854 3.960 0.001 0.000 0.218 54 G C 1.917 176.691 174.900 -0.211 0.000 1.154 54 G CA 1.137 46.096 45.100 -0.235 0.000 0.767 54 G HN 0.706 nan 8.290 nan 0.000 0.552 55 A N 1.056 123.791 122.820 -0.142 0.000 1.933 55 A HA 0.305 4.626 4.320 0.001 0.000 0.218 55 A C 2.804 180.195 177.584 -0.322 0.000 1.175 55 A CA 2.139 54.149 52.037 -0.044 0.000 0.628 55 A CB -0.701 18.383 19.000 0.140 0.000 0.814 55 A HN 0.767 nan 8.150 nan 0.000 0.444 56 A N -0.530 121.967 122.820 -0.538 0.000 1.902 56 A HA -0.010 4.310 4.320 0.001 0.000 0.217 56 A C 2.224 179.203 177.584 -1.009 0.000 1.181 56 A CA 1.794 53.144 52.037 -1.145 0.000 0.623 56 A CB -0.927 17.491 19.000 -0.971 0.000 0.818 56 A HN 0.378 nan 8.150 nan 0.000 0.443 57 V N -0.194 119.267 119.914 -0.756 0.000 2.343 57 V HA -0.236 3.885 4.120 0.001 0.000 0.247 57 V C 3.046 178.822 176.094 -0.531 0.000 1.051 57 V CA 1.936 63.793 62.300 -0.738 0.000 1.036 57 V CB -1.167 30.155 31.823 -0.835 0.000 0.654 57 V HN 0.621 nan 8.190 nan 0.000 0.451 58 A N -0.097 122.476 122.820 -0.411 0.000 1.898 58 A HA -0.085 4.235 4.320 0.001 0.000 0.216 58 A C 2.431 179.798 177.584 -0.362 0.000 1.181 58 A CA 2.032 53.909 52.037 -0.266 0.000 0.620 58 A CB -0.798 18.118 19.000 -0.140 0.000 0.819 58 A HN 0.551 nan 8.150 nan 0.000 0.442 59 A N -0.329 122.060 122.820 -0.719 0.000 1.858 59 A HA -0.157 4.163 4.320 0.001 0.000 0.216 59 A C 1.849 179.108 177.584 -0.542 0.000 1.190 59 A CA 1.606 52.963 52.037 -1.134 0.000 0.617 59 A CB -0.445 17.780 19.000 -1.292 0.000 0.827 59 A HN 0.482 nan 8.150 nan 0.000 0.443 60 E N 0.232 120.128 120.200 -0.507 0.000 2.502 60 E HA -0.023 4.327 4.350 0.001 0.000 0.194 60 E C 1.336 177.845 176.600 -0.151 0.000 1.062 60 E CA 0.825 57.057 56.400 -0.279 0.000 0.867 60 E CB -0.037 29.443 29.700 -0.367 0.000 0.888 60 E HN 0.713 nan 8.360 nan 0.000 0.510 61 S N -0.927 114.695 115.700 -0.130 0.000 2.568 61 S HA 0.129 4.600 4.470 0.001 0.000 0.232 61 S C 1.358 176.015 174.600 0.096 0.000 0.975 61 S CA 0.245 58.458 58.200 0.022 0.000 0.949 61 S CB 0.341 63.612 63.200 0.117 0.000 0.829 61 S HN 0.137 nan 8.310 nan 0.000 0.479 62 S N 1.413 117.137 115.700 0.040 0.000 4.207 62 S HA 0.176 4.647 4.470 0.001 0.000 0.177 62 S C 1.377 175.991 174.600 0.023 0.000 0.981 62 S CA 0.607 58.849 58.200 0.070 0.000 1.097 62 S CB -0.190 63.110 63.200 0.166 0.000 1.525 62 S HN 0.529 nan 8.310 nan 0.000 0.686 63 T N -1.074 113.509 114.554 0.048 0.000 2.966 63 T HA 0.459 4.810 4.350 0.001 0.000 0.254 63 T C 0.853 175.602 174.700 0.080 0.000 0.961 63 T CA 0.419 62.564 62.100 0.076 0.000 0.915 63 T CB 0.003 68.968 68.868 0.162 0.000 1.186 63 T HN 0.722 nan 8.240 nan 0.000 0.505 64 G N 0.552 109.369 108.800 0.029 0.000 2.412 64 G HA2 0.540 4.500 3.960 0.001 0.000 0.318 64 G HA3 0.540 4.500 3.960 0.001 0.000 0.318 64 G C -0.684 174.279 174.900 0.105 0.000 1.146 64 G CA -0.184 44.965 45.100 0.082 0.000 0.882 64 G HN 0.276 nan 8.290 nan 0.000 0.501 65 T N -0.420 114.222 114.554 0.147 0.000 2.718 65 T HA 0.419 4.769 4.350 0.001 0.000 0.267 65 T C 0.947 175.790 174.700 0.238 0.000 0.957 65 T CA -0.499 61.735 62.100 0.223 0.000 1.025 65 T CB 0.716 69.677 68.868 0.154 0.000 1.355 65 T HN 0.667 nan 8.240 nan 0.000 0.572 66 W N 0.666 122.066 121.300 0.166 0.000 2.678 66 W HA 0.272 4.933 4.660 0.001 0.000 0.256 66 W C 0.359 176.854 176.519 -0.039 0.000 1.280 66 W CA 0.457 57.857 57.345 0.091 0.000 1.345 66 W CB -1.149 28.376 29.460 0.108 0.000 1.118 66 W HN 0.532 nan 8.180 nan 0.000 0.629 67 T N 0.817 114.882 114.554 -0.816 0.000 2.883 67 T HA 0.343 4.693 4.350 0.001 0.000 0.296 67 T C -0.443 174.018 174.700 -0.399 0.000 1.117 67 T CA -0.330 61.320 62.100 -0.750 0.000 1.006 67 T CB 1.839 69.878 68.868 -1.382 0.000 1.191 67 T HN -0.214 nan 8.240 nan 0.000 0.508 68 T N 2.543 116.974 114.554 -0.206 0.000 2.870 68 T HA 0.455 4.805 4.350 0.001 0.000 0.300 68 T C 0.176 174.922 174.700 0.077 0.000 0.989 68 T CA -0.332 61.755 62.100 -0.021 0.000 1.139 68 T CB 0.190 69.089 68.868 0.052 0.000 0.920 68 T HN 0.682 nan 8.240 nan 0.000 0.537 69 V N 2.969 122.900 119.914 0.029 0.000 2.581 69 V HA 0.488 4.608 4.120 0.001 0.000 0.303 69 V C 1.145 177.108 176.094 -0.219 0.000 1.041 69 V CA -1.176 61.071 62.300 -0.088 0.000 0.907 69 V CB 1.383 33.069 31.823 -0.228 0.000 0.994 69 V HN 1.053 nan 8.190 nan 0.000 0.442 70 W N 2.523 123.424 121.300 -0.666 0.000 2.425 70 W HA -0.094 4.566 4.660 0.001 0.000 0.277 70 W C 1.388 177.678 176.519 -0.381 0.000 1.231 70 W CA 1.429 58.208 57.345 -0.943 0.000 1.248 70 W CB -1.640 26.911 29.460 -1.514 0.000 1.117 70 W HN 0.754 nan 8.180 nan 0.000 0.568 71 T N -1.087 112.794 114.554 -1.121 0.000 2.977 71 T HA -0.198 4.152 4.350 0.001 0.000 0.271 71 T C 1.121 175.594 174.700 -0.377 0.000 1.105 71 T CA 1.517 63.041 62.100 -0.960 0.000 1.116 71 T CB -0.546 67.699 68.868 -1.038 0.000 0.878 71 T HN -0.076 nan 8.240 nan 0.000 0.509 72 D N 2.145 122.401 120.400 -0.240 0.000 2.123 72 D HA -0.047 4.594 4.640 0.001 0.000 0.196 72 D C 2.363 178.641 176.300 -0.037 0.000 0.992 72 D CA 1.480 55.423 54.000 -0.096 0.000 0.833 72 D CB -0.906 39.874 40.800 -0.032 0.000 0.954 72 D HN 0.592 nan 8.370 nan 0.000 0.455 73 G N 0.024 108.821 108.800 -0.004 0.000 2.559 73 G HA2 -0.130 3.830 3.960 0.001 0.000 0.216 73 G HA3 -0.130 3.830 3.960 0.001 0.000 0.216 73 G C 1.580 176.505 174.900 0.042 0.000 1.126 73 G CA 0.022 45.149 45.100 0.044 0.000 0.778 73 G HN 0.273 nan 8.290 nan 0.000 0.543 74 L N -0.357 120.874 121.223 0.013 0.000 2.492 74 L HA 0.176 4.516 4.340 0.001 0.000 0.223 74 L C 1.625 178.504 176.870 0.016 0.000 1.132 74 L CA 0.382 55.234 54.840 0.020 0.000 0.850 74 L CB 0.121 42.176 42.059 -0.006 0.000 0.966 74 L HN 0.212 nan 8.230 nan 0.000 0.454 75 T N -2.497 112.066 114.554 0.016 0.000 2.724 75 T HA 0.283 4.634 4.350 0.001 0.000 0.274 75 T C -0.523 174.231 174.700 0.091 0.000 0.984 75 T CA -0.456 61.682 62.100 0.065 0.000 1.024 75 T CB 1.969 70.862 68.868 0.042 0.000 1.320 75 T HN -0.152 nan 8.240 nan 0.000 0.555 76 S N 1.760 117.558 115.700 0.163 0.000 2.532 76 S HA 0.350 4.821 4.470 0.001 0.000 0.318 76 S C 0.978 175.648 174.600 0.116 0.000 1.083 76 S CA -0.714 57.538 58.200 0.085 0.000 1.131 76 S CB 0.173 63.377 63.200 0.006 0.000 0.973 76 S HN 0.563 nan 8.310 nan 0.000 0.468 77 L N 4.396 125.661 121.223 0.069 0.000 2.079 77 L HA -0.029 4.311 4.340 0.001 0.000 0.210 77 L C 1.826 178.686 176.870 -0.017 0.000 1.081 77 L CA 1.915 56.784 54.840 0.050 0.000 0.752 77 L CB -0.593 41.457 42.059 -0.015 0.000 0.896 77 L HN 0.603 nan 8.230 nan 0.000 0.433 78 D N -1.015 119.349 120.400 -0.060 0.000 2.123 78 D HA -0.231 4.410 4.640 0.001 0.000 0.196 78 D C 2.343 178.566 176.300 -0.128 0.000 0.992 78 D CA 1.080 55.023 54.000 -0.095 0.000 0.833 78 D CB -0.101 40.654 40.800 -0.076 0.000 0.954 78 D HN 0.271 nan 8.370 nan 0.000 0.455 79 R N -0.910 119.471 120.500 -0.199 0.000 2.092 79 R HA -0.131 4.210 4.340 0.001 0.000 0.231 79 R C 1.508 177.552 176.300 -0.427 0.000 1.119 79 R CA 1.127 56.993 56.100 -0.391 0.000 0.970 79 R CB 0.022 29.921 30.300 -0.669 0.000 0.864 79 R HN 0.268 nan 8.270 nan 0.000 0.440 80 Y N 0.362 120.647 120.300 -0.025 0.000 2.535 80 Y HA 0.122 4.672 4.550 0.001 0.000 0.266 80 Y C 0.281 176.179 175.900 -0.003 0.000 1.088 80 Y CA -0.192 57.897 58.100 -0.018 0.000 1.285 80 Y CB 0.117 38.564 38.460 -0.022 0.000 1.166 80 Y HN -0.074 nan 8.280 nan 0.000 0.525 81 K N 1.512 121.985 120.400 0.121 0.000 2.485 81 K HA 0.237 4.557 4.320 0.001 0.000 0.277 81 K C 0.568 177.210 176.600 0.070 0.000 0.990 81 K CA 0.248 56.621 56.287 0.142 0.000 0.994 81 K CB 0.526 33.061 32.500 0.058 0.000 0.906 81 K HN 0.162 nan 8.250 nan 0.000 0.488 82 G N 2.686 111.556 108.800 0.117 0.000 2.527 82 G HA2 0.238 4.198 3.960 0.001 0.000 0.248 82 G HA3 0.238 4.198 3.960 0.001 0.000 0.248 82 G C -0.792 174.078 174.900 -0.050 0.000 1.231 82 G CA -0.884 44.161 45.100 -0.091 0.000 0.838 82 G HN 0.667 nan 8.290 nan 0.000 0.570 83 R N 0.164 120.555 120.500 -0.182 0.000 2.514 83 R HA 0.280 4.620 4.340 0.001 0.000 0.296 83 R C -1.143 175.172 176.300 0.025 0.000 1.012 83 R CA -0.644 55.394 56.100 -0.103 0.000 0.897 83 R CB 1.848 31.934 30.300 -0.356 0.000 1.184 83 R HN 0.527 nan 8.270 nan 0.000 0.440 84 C N 5.283 124.639 119.300 0.093 0.000 2.416 84 C HA 0.234 4.694 4.460 0.001 0.000 0.355 84 C C 1.024 176.141 174.990 0.212 0.000 1.211 84 C CA -0.452 58.654 59.018 0.146 0.000 1.699 84 C CB -1.183 26.654 27.740 0.161 0.000 2.310 84 C HN 0.985 nan 8.230 nan 0.000 0.539 85 Y N 2.048 122.435 120.300 0.146 0.000 2.444 85 Y HA 0.527 5.077 4.550 0.001 0.000 0.249 85 Y C 0.188 176.177 175.900 0.147 0.000 1.134 85 Y CA -0.406 57.760 58.100 0.111 0.000 1.261 85 Y CB 0.004 38.574 38.460 0.182 0.000 1.143 85 Y HN 0.526 nan 8.280 nan 0.000 0.523 86 D N 0.495 120.833 120.400 -0.104 0.000 2.836 86 D HA 0.441 5.081 4.640 0.001 0.000 0.215 86 D C -1.716 174.690 176.300 0.177 0.000 1.255 86 D CA -0.375 53.639 54.000 0.023 0.000 0.822 86 D CB 1.819 42.519 40.800 -0.168 0.000 1.656 86 D HN 0.182 nan 8.370 nan 0.000 0.511 87 I N 2.504 123.199 120.570 0.209 0.000 2.468 87 I HA 0.278 4.449 4.170 0.001 0.000 0.284 87 I C -0.341 175.906 176.117 0.216 0.000 1.038 87 I CA -0.576 60.841 61.300 0.194 0.000 1.083 87 I CB 1.873 39.915 38.000 0.070 0.000 1.223 87 I HN 0.162 nan 8.210 nan 0.000 0.443 88 E N 7.541 127.900 120.200 0.265 0.000 2.191 88 E HA 0.410 4.760 4.350 0.001 0.000 0.278 88 E C -2.431 174.310 176.600 0.236 0.000 0.972 88 E CA -1.857 54.678 56.400 0.224 0.000 0.804 88 E CB 1.415 31.250 29.700 0.226 0.000 1.110 88 E HN 0.230 nan 8.360 nan 0.000 0.394 89 P HA 0.054 nan 4.420 nan 0.000 0.277 89 P C -0.677 176.594 177.300 -0.048 0.000 1.240 89 P CA -0.407 62.696 63.100 0.004 0.000 0.798 89 P CB 0.651 32.349 31.700 -0.003 0.000 0.979 90 V N 4.291 124.115 119.914 -0.150 0.000 2.432 90 V HA 0.210 4.330 4.120 0.001 0.000 0.275 90 V C -1.969 174.081 176.094 -0.074 0.000 1.043 90 V CA -1.657 60.596 62.300 -0.078 0.000 0.925 90 V CB 0.544 32.320 31.823 -0.078 0.000 0.985 90 V HN 0.541 nan 8.190 nan 0.000 0.466 91 P HA 0.184 nan 4.420 nan 0.000 0.258 91 P C 0.772 178.053 177.300 -0.031 0.000 1.187 91 P CA 1.084 64.166 63.100 -0.029 0.000 0.767 91 P CB 0.282 31.971 31.700 -0.018 0.000 0.770 92 G N 1.726 110.506 108.800 -0.034 0.000 2.182 92 G HA2 -0.185 3.776 3.960 0.001 0.000 0.248 92 G HA3 -0.185 3.776 3.960 0.001 0.000 0.248 92 G C -0.253 174.625 174.900 -0.036 0.000 1.042 92 G CA -0.409 44.674 45.100 -0.028 0.000 0.775 92 G HN 0.529 nan 8.290 nan 0.000 0.501 93 E N -0.383 119.779 120.200 -0.063 0.000 2.278 93 E HA 0.222 4.572 4.350 0.001 0.000 0.272 93 E C 0.006 176.539 176.600 -0.113 0.000 0.890 93 E CA -0.726 55.627 56.400 -0.078 0.000 0.770 93 E CB 1.247 30.891 29.700 -0.094 0.000 1.212 93 E HN 0.193 nan 8.360 nan 0.000 0.415 94 D N 0.909 121.261 120.400 -0.080 0.000 2.234 94 D HA -0.078 4.562 4.640 0.001 0.000 0.205 94 D C 0.642 176.881 176.300 -0.102 0.000 0.962 94 D CA 0.785 54.742 54.000 -0.073 0.000 0.855 94 D CB 0.473 41.258 40.800 -0.025 0.000 0.951 94 D HN 0.193 nan 8.370 nan 0.000 0.500 95 N N 0.235 118.869 118.700 -0.110 0.000 2.433 95 N HA 0.048 4.788 4.740 0.001 0.000 0.270 95 N C -1.034 174.404 175.510 -0.121 0.000 1.354 95 N CA -0.009 53.005 53.050 -0.060 0.000 0.889 95 N CB 0.613 39.120 38.487 0.034 0.000 1.285 95 N HN -0.025 nan 8.380 nan 0.000 0.503 96 Q N 0.247 119.828 119.800 -0.366 0.000 2.353 96 Q HA 0.396 4.737 4.340 0.001 0.000 0.268 96 Q C -1.475 174.168 176.000 -0.595 0.000 1.045 96 Q CA -0.689 54.949 55.803 -0.276 0.000 0.811 96 Q CB 1.898 30.556 28.738 -0.133 0.000 1.305 96 Q HN 0.219 nan 8.270 nan 0.000 0.447 97 Y N 1.039 121.335 120.300 -0.005 0.000 2.524 97 Y HA 0.427 4.978 4.550 0.001 0.000 0.347 97 Y C -0.333 175.555 175.900 -0.020 0.000 1.005 97 Y CA -1.124 56.972 58.100 -0.005 0.000 1.025 97 Y CB 1.363 39.811 38.460 -0.021 0.000 1.275 97 Y HN 0.416 nan 8.280 nan 0.000 0.460 98 I N 2.752 123.402 120.570 0.133 0.000 2.312 98 I HA 0.446 4.617 4.170 0.001 0.000 0.291 98 I C 0.168 176.261 176.117 -0.040 0.000 1.031 98 I CA -0.672 60.619 61.300 -0.014 0.000 1.293 98 I CB 0.344 38.324 38.000 -0.032 0.000 1.403 98 I HN 0.706 nan 8.210 nan 0.000 0.484 99 A N 7.454 130.218 122.820 -0.094 0.000 2.292 99 A HA 0.639 4.959 4.320 0.001 0.000 0.319 99 A C -1.179 176.300 177.584 -0.175 0.000 1.206 99 A CA -0.371 51.633 52.037 -0.055 0.000 0.835 99 A CB 0.350 19.331 19.000 -0.031 0.000 1.164 99 A HN 0.529 nan 8.150 nan 0.000 0.505 100 Y N 1.461 121.702 120.300 -0.099 0.000 2.328 100 Y HA 0.488 5.039 4.550 0.001 0.000 0.337 100 Y C 0.088 175.858 175.900 -0.217 0.000 1.008 100 Y CA -0.401 57.575 58.100 -0.207 0.000 1.129 100 Y CB 1.841 39.937 38.460 -0.608 0.000 1.185 100 Y HN 0.377 nan 8.280 nan 0.000 0.476 101 V N 3.162 123.207 119.914 0.219 0.000 2.540 101 V HA 0.777 4.897 4.120 0.001 0.000 0.302 101 V C -0.362 175.848 176.094 0.193 0.000 1.035 101 V CA -1.051 61.339 62.300 0.150 0.000 0.873 101 V CB 1.577 33.441 31.823 0.067 0.000 0.992 101 V HN 0.857 nan 8.190 nan 0.000 0.428 102 A N 4.495 127.395 122.820 0.134 0.000 2.304 102 A HA 0.892 5.212 4.320 0.001 0.000 0.323 102 A C -1.288 176.158 177.584 -0.230 0.000 1.195 102 A CA -0.304 51.756 52.037 0.038 0.000 0.826 102 A CB 0.595 19.632 19.000 0.061 0.000 1.184 102 A HN 0.726 nan 8.150 nan 0.000 0.496 106 D N 1.612 122.105 120.400 0.154 0.000 2.309 106 D HA -0.026 4.614 4.640 0.001 0.000 0.212 106 D C 1.985 178.329 176.300 0.074 0.000 0.968 106 D CA 1.226 55.320 54.000 0.158 0.000 0.882 106 D CB 0.062 41.013 40.800 0.251 0.000 0.918 106 D HN 0.442 nan 8.370 nan 0.000 0.503 107 L N -0.882 120.290 121.223 -0.084 0.000 2.395 107 L HA 0.038 4.378 4.340 0.001 0.000 0.218 107 L C 0.168 176.696 176.870 -0.570 0.000 1.130 107 L CA 0.293 54.886 54.840 -0.412 0.000 0.826 107 L CB -0.039 41.586 42.059 -0.724 0.000 0.941 107 L HN -0.118 nan 8.230 nan 0.000 0.451 108 F N -0.373 119.555 119.950 -0.037 0.000 2.480 108 F HA 0.309 4.837 4.527 0.001 0.000 0.329 108 F C 0.616 176.465 175.800 0.083 0.000 1.091 108 F CA -1.124 56.853 58.000 -0.037 0.000 0.972 108 F CB 1.099 39.923 39.000 -0.292 0.000 1.150 108 F HN -0.191 nan 8.300 nan 0.000 0.467 109 E N 1.781 122.158 120.200 0.295 0.000 2.316 109 E HA 0.131 4.481 4.350 0.001 0.000 0.275 109 E C -0.787 175.952 176.600 0.231 0.000 1.029 109 E CA -0.564 55.955 56.400 0.198 0.000 0.871 109 E CB 0.596 30.363 29.700 0.112 0.000 1.022 109 E HN 0.524 nan 8.360 nan 0.000 0.418 110 E N 2.344 122.607 120.200 0.106 0.000 2.465 110 E HA 0.158 4.509 4.350 0.001 0.000 0.260 110 E C 0.873 177.219 176.600 -0.424 0.000 0.980 110 E CA 1.208 57.548 56.400 -0.100 0.000 0.927 110 E CB 0.531 30.185 29.700 -0.076 0.000 0.934 110 E HN 0.806 nan 8.360 nan 0.000 0.459 111 G N 2.629 110.743 108.800 -1.144 0.000 2.166 111 G HA2 -0.341 3.619 3.960 0.001 0.000 0.260 111 G HA3 -0.341 3.619 3.960 0.001 0.000 0.260 111 G C 0.301 174.744 174.900 -0.762 0.000 0.986 111 G CA 0.593 44.789 45.100 -1.506 0.000 0.683 111 G HN 0.525 nan 8.290 nan 0.000 0.527 112 S N -0.550 114.954 115.700 -0.328 0.000 2.577 112 S HA 0.523 4.994 4.470 0.001 0.000 0.294 112 S C 1.515 176.277 174.600 0.270 0.000 1.161 112 S CA 0.083 58.325 58.200 0.069 0.000 1.143 112 S CB 1.219 64.462 63.200 0.071 0.000 0.991 112 S HN 0.544 nan 8.310 nan 0.000 0.475 113 V N 4.791 124.849 119.914 0.240 0.000 2.407 113 V HA -0.135 3.986 4.120 0.001 0.000 0.248 113 V C 2.605 178.578 176.094 -0.201 0.000 1.055 113 V CA 2.439 64.684 62.300 -0.091 0.000 1.049 113 V CB -1.076 30.410 31.823 -0.561 0.000 0.662 113 V HN 0.829 nan 8.190 nan 0.000 0.455 114 T N 0.068 114.568 114.554 -0.090 0.000 2.635 114 T HA -0.279 4.071 4.350 0.001 0.000 0.267 114 T C 1.929 176.701 174.700 0.120 0.000 1.040 114 T CA 2.073 64.188 62.100 0.024 0.000 1.156 114 T CB -0.515 68.413 68.868 0.100 0.000 0.863 114 T HN 0.597 nan 8.240 nan 0.000 0.430 115 N N 0.391 119.183 118.700 0.154 0.000 2.120 115 N HA -0.099 4.641 4.740 0.001 0.000 0.188 115 N C 2.135 177.815 175.510 0.283 0.000 1.024 115 N CA 1.218 54.386 53.050 0.197 0.000 0.852 115 N CB -0.230 38.378 38.487 0.202 0.000 1.003 115 N HN 0.388 nan 8.380 nan 0.000 0.424 116 M N -0.158 119.649 119.600 0.344 0.000 2.065 116 M HA -0.201 4.279 4.480 0.001 0.000 0.259 116 M C 1.634 178.114 176.300 0.300 0.000 1.069 116 M CA 1.646 57.151 55.300 0.342 0.000 1.110 116 M CB -0.205 32.513 32.600 0.196 0.000 1.328 116 M HN 0.064 nan 8.290 nan 0.000 0.405 117 F N 0.467 120.414 119.950 -0.005 0.000 2.134 117 F HA -0.185 4.343 4.527 0.000 0.000 0.299 117 F C 2.572 178.401 175.800 0.049 0.000 1.097 117 F CA 1.820 59.819 58.000 -0.002 0.000 1.264 117 F CB -1.389 37.594 39.000 -0.028 0.000 1.001 117 F HN 0.190 nan 8.300 nan 0.000 0.479 118 T N -1.119 113.582 114.554 0.245 0.000 2.720 118 T HA -0.193 4.158 4.350 0.001 0.000 0.268 118 T C 2.365 177.129 174.700 0.107 0.000 1.037 118 T CA 1.756 63.951 62.100 0.158 0.000 1.144 118 T CB -0.447 68.499 68.868 0.130 0.000 0.864 118 T HN 0.158 nan 8.240 nan 0.000 0.444 119 S N 0.650 116.404 115.700 0.090 0.000 2.329 119 S HA 0.089 4.559 4.470 0.001 0.000 0.215 119 S C 2.064 176.677 174.600 0.021 0.000 1.031 119 S CA 0.798 59.009 58.200 0.018 0.000 0.985 119 S CB -0.323 62.834 63.200 -0.071 0.000 0.917 119 S HN 0.396 nan 8.310 nan 0.000 0.441 120 I N 1.513 122.079 120.570 -0.007 0.000 2.315 120 I HA -0.082 4.089 4.170 0.001 0.000 0.248 120 I C 1.602 177.841 176.117 0.203 0.000 1.117 120 I CA 1.027 62.336 61.300 0.015 0.000 1.404 120 I CB -0.117 37.802 38.000 -0.136 0.000 1.071 120 I HN 0.264 nan 8.210 nan 0.000 0.419 121 V N -2.820 117.163 119.914 0.115 0.000 3.159 121 V HA 0.479 4.599 4.120 0.001 0.000 0.333 121 V C 1.519 177.711 176.094 0.164 0.000 1.424 121 V CA 0.250 62.671 62.300 0.202 0.000 1.125 121 V CB -0.343 31.391 31.823 -0.147 0.000 1.075 121 V HN 0.219 nan 8.190 nan 0.000 0.482 122 G N 1.813 110.707 108.800 0.156 0.000 2.464 122 G HA2 -0.139 3.821 3.960 0.001 0.000 0.214 122 G HA3 -0.139 3.821 3.960 0.001 0.000 0.214 122 G C 1.189 176.186 174.900 0.161 0.000 1.218 122 G CA 1.320 46.500 45.100 0.134 0.000 0.794 122 G HN 0.546 nan 8.290 nan 0.000 0.542 123 N N -0.412 118.396 118.700 0.181 0.000 2.382 123 N HA 0.005 4.745 4.740 0.001 0.000 0.200 123 N C 2.296 177.975 175.510 0.281 0.000 1.122 123 N CA 0.892 54.071 53.050 0.214 0.000 0.870 123 N CB 0.351 38.962 38.487 0.206 0.000 1.176 123 N HN 0.278 nan 8.380 nan 0.000 0.474 124 V N -1.009 119.010 119.914 0.174 0.000 2.594 124 V HA -0.085 4.035 4.120 0.001 0.000 0.253 124 V C 1.699 177.800 176.094 0.012 0.000 1.069 124 V CA 1.315 63.584 62.300 -0.052 0.000 1.082 124 V CB -1.217 30.366 31.823 -0.401 0.000 0.680 124 V HN -0.068 nan 8.190 nan 0.000 0.469 125 F N 2.463 122.444 119.950 0.051 0.000 2.546 125 F HA 0.249 4.777 4.527 0.001 0.000 0.298 125 F C 2.314 178.225 175.800 0.186 0.000 1.120 125 F CA 1.208 59.269 58.000 0.102 0.000 1.456 125 F CB -0.698 38.352 39.000 0.083 0.000 1.088 125 F HN 0.350 nan 8.300 nan 0.000 0.572 126 G N -1.769 107.230 108.800 0.331 0.000 3.126 126 G HA2 0.034 3.994 3.960 0.001 0.000 0.224 126 G HA3 0.034 3.994 3.960 0.001 0.000 0.224 126 G C 0.163 175.165 174.900 0.171 0.000 1.142 126 G CA -0.231 45.002 45.100 0.222 0.000 0.759 126 G HN 0.015 nan 8.290 nan 0.000 0.550 127 F N 1.426 121.377 119.950 0.002 0.000 2.572 127 F HA 0.191 4.718 4.527 0.001 0.000 0.370 127 F C 1.780 177.568 175.800 -0.020 0.000 1.103 127 F CA 0.169 58.152 58.000 -0.029 0.000 1.286 127 F CB 1.071 40.021 39.000 -0.083 0.000 1.105 127 F HN -0.057 nan 8.300 nan 0.000 0.583 128 K N 2.770 123.149 120.400 -0.034 0.000 2.103 128 K HA -0.178 4.143 4.320 0.001 0.000 0.207 128 K C 2.012 178.644 176.600 0.054 0.000 1.048 128 K CA 1.357 57.637 56.287 -0.011 0.000 0.930 128 K CB -0.186 32.269 32.500 -0.075 0.000 0.716 128 K HN 0.734 nan 8.250 nan 0.000 0.444 129 A N 1.045 123.938 122.820 0.122 0.000 2.178 129 A HA -0.037 4.283 4.320 0.001 0.000 0.218 129 A C 0.644 178.270 177.584 0.070 0.000 1.157 129 A CA 0.790 52.894 52.037 0.112 0.000 0.689 129 A CB -0.553 18.549 19.000 0.171 0.000 0.787 129 A HN 0.230 nan 8.150 nan 0.000 0.465 130 L N -5.440 115.829 121.223 0.076 0.000 2.354 130 L HA 0.650 4.991 4.340 0.001 0.000 0.269 130 L C 0.599 177.500 176.870 0.053 0.000 1.005 130 L CA -0.805 54.057 54.840 0.037 0.000 0.819 130 L CB 1.423 43.470 42.059 -0.020 0.000 1.311 130 L HN -0.013 nan 8.230 nan 0.000 0.423 131 R N 1.377 121.907 120.500 0.049 0.000 2.189 131 R HA 0.648 4.989 4.340 0.001 0.000 0.203 131 R C 0.013 176.360 176.300 0.079 0.000 1.012 131 R CA 0.710 56.840 56.100 0.050 0.000 1.015 131 R CB 0.332 30.656 30.300 0.040 0.000 0.938 131 R HN 0.831 nan 8.270 nan 0.000 0.472 132 A N 0.777 123.671 122.820 0.122 0.000 2.594 132 A HA 0.584 4.904 4.320 0.001 0.000 0.296 132 A C -2.067 175.619 177.584 0.171 0.000 1.061 132 A CA -0.651 51.544 52.037 0.264 0.000 0.689 132 A CB 1.631 20.758 19.000 0.211 0.000 1.280 132 A HN 0.038 nan 8.150 nan 0.000 0.406 133 L N 0.815 122.147 121.223 0.181 0.000 2.472 133 L HA 0.810 5.150 4.340 0.001 0.000 0.260 133 L C -0.662 176.160 176.870 -0.080 0.000 0.963 133 L CA -0.144 54.603 54.840 -0.156 0.000 0.829 133 L CB 1.997 43.673 42.059 -0.639 0.000 1.348 133 L HN 0.816 nan 8.230 nan 0.000 0.408 134 R N 3.817 124.344 120.500 0.046 0.000 2.533 134 R HA 0.493 4.834 4.340 0.001 0.000 0.288 134 R C -1.833 174.554 176.300 0.144 0.000 1.039 134 R CA -0.890 55.310 56.100 0.167 0.000 0.909 134 R CB 1.800 32.161 30.300 0.102 0.000 1.195 134 R HN 0.647 nan 8.270 nan 0.000 0.438 135 L N 4.576 125.917 121.223 0.197 0.000 2.315 135 L HA 0.210 4.550 4.340 0.001 0.000 0.283 135 L C 0.861 177.637 176.870 -0.157 0.000 1.089 135 L CA 0.682 55.445 54.840 -0.127 0.000 0.833 135 L CB 0.909 42.899 42.059 -0.114 0.000 1.170 135 L HN 0.669 nan 8.230 nan 0.000 0.442 136 E N 2.316 122.317 120.200 -0.331 0.000 2.166 136 E HA 0.103 4.454 4.350 0.001 0.000 0.192 136 E C -0.241 176.146 176.600 -0.355 0.000 0.967 136 E CA 0.461 56.636 56.400 -0.375 0.000 0.840 136 E CB 0.495 29.722 29.700 -0.790 0.000 0.795 136 E HN 0.681 nan 8.360 nan 0.000 0.470 137 D N -0.976 119.209 120.400 -0.358 0.000 2.622 137 D HA 0.407 5.048 4.640 0.001 0.000 0.255 137 D C -1.469 174.871 176.300 0.066 0.000 1.246 137 D CA -0.467 53.484 54.000 -0.082 0.000 0.795 137 D CB 1.571 42.365 40.800 -0.009 0.000 1.369 137 D HN -0.151 nan 8.370 nan 0.000 0.425 138 L N 1.312 122.595 121.223 0.100 0.000 2.408 138 L HA 0.508 4.848 4.340 0.001 0.000 0.268 138 L C -0.199 176.579 176.870 -0.154 0.000 0.986 138 L CA -0.905 53.902 54.840 -0.056 0.000 0.820 138 L CB 2.276 44.252 42.059 -0.137 0.000 1.303 138 L HN 0.163 nan 8.230 nan 0.000 0.411 139 R N 4.250 124.429 120.500 -0.535 0.000 2.204 139 R HA 0.383 4.723 4.340 0.001 0.000 0.341 139 R C -0.928 175.152 176.300 -0.366 0.000 1.035 139 R CA -0.659 55.141 56.100 -0.500 0.000 0.887 139 R CB 0.500 30.322 30.300 -0.798 0.000 1.114 139 R HN 0.436 nan 8.270 nan 0.000 0.473 140 I N 7.594 127.959 120.570 -0.341 0.000 2.337 140 I HA 0.263 4.433 4.170 0.001 0.000 0.291 140 I C -1.917 174.046 176.117 -0.256 0.000 1.046 140 I CA -2.735 58.397 61.300 -0.279 0.000 1.324 140 I CB 0.912 38.717 38.000 -0.325 0.000 1.409 140 I HN 0.258 nan 8.210 nan 0.000 0.494 141 P HA 0.245 nan 4.420 nan 0.000 0.274 141 P C -2.283 174.997 177.300 -0.034 0.000 1.231 141 P CA -1.543 61.502 63.100 -0.091 0.000 0.790 141 P CB 0.538 32.213 31.700 -0.042 0.000 0.951 142 P HA -0.210 nan 4.420 nan 0.000 0.217 142 P C 1.491 178.829 177.300 0.064 0.000 1.151 142 P CA 2.238 65.348 63.100 0.018 0.000 0.849 142 P CB -0.463 31.255 31.700 0.030 0.000 0.787 143 A N -2.110 120.756 122.820 0.076 0.000 1.969 143 A HA -0.216 4.105 4.320 0.001 0.000 0.218 143 A C 2.203 179.897 177.584 0.183 0.000 1.169 143 A CA 1.284 53.384 52.037 0.105 0.000 0.635 143 A CB -1.655 17.400 19.000 0.091 0.000 0.810 143 A HN 0.149 nan 8.150 nan 0.000 0.445 144 Y N 0.117 120.444 120.300 0.046 0.000 2.269 144 Y HA -0.043 4.508 4.550 0.001 0.000 0.294 144 Y C 2.375 178.413 175.900 0.230 0.000 1.120 144 Y CA 1.118 59.282 58.100 0.107 0.000 1.159 144 Y CB -0.291 38.195 38.460 0.043 0.000 1.024 144 Y HN 0.056 nan 8.280 nan 0.000 0.532 145 V N 0.740 120.731 119.914 0.128 0.000 2.324 145 V HA -0.334 3.787 4.120 0.001 0.000 0.250 145 V C 2.287 178.484 176.094 0.172 0.000 1.060 145 V CA 2.104 64.465 62.300 0.101 0.000 1.042 145 V CB -0.538 31.324 31.823 0.064 0.000 0.650 145 V HN 0.255 nan 8.190 nan 0.000 0.450 146 K N 0.534 121.003 120.400 0.114 0.000 2.360 146 K HA -0.101 4.219 4.320 0.001 0.000 0.201 146 K C 2.099 178.721 176.600 0.037 0.000 1.046 146 K CA 1.606 57.942 56.287 0.081 0.000 0.945 146 K CB -0.816 31.721 32.500 0.062 0.000 0.750 146 K HN 0.761 nan 8.250 nan 0.000 0.464 147 T N -1.982 112.561 114.554 -0.018 0.000 3.148 147 T HA 0.066 4.416 4.350 0.001 0.000 0.253 147 T C 0.508 174.986 174.700 -0.370 0.000 1.134 147 T CA -0.090 61.889 62.100 -0.202 0.000 1.051 147 T CB -0.256 68.419 68.868 -0.320 0.000 0.959 147 T HN -0.161 nan 8.240 nan 0.000 0.525 148 F N 0.315 120.169 119.950 -0.159 0.000 2.422 148 F HA 0.530 5.058 4.527 0.001 0.000 0.333 148 F C 1.312 177.064 175.800 -0.079 0.000 1.095 148 F CA -1.340 56.581 58.000 -0.131 0.000 1.038 148 F CB 1.662 40.574 39.000 -0.146 0.000 1.156 148 F HN -0.269 nan 8.300 nan 0.000 0.483 149 V N 2.214 122.173 119.914 0.076 0.000 2.407 149 V HA 0.002 4.123 4.120 0.001 0.000 0.248 149 V C 1.365 177.480 176.094 0.035 0.000 1.055 149 V CA 1.447 63.764 62.300 0.028 0.000 1.049 149 V CB -1.350 30.468 31.823 -0.008 0.000 0.662 149 V HN 1.149 nan 8.190 nan 0.000 0.455 153 H N -0.803 118.244 119.070 -0.038 0.000 1.855 153 H HA 0.482 5.038 4.556 0.001 0.000 0.178 153 H C 1.009 176.326 175.328 -0.018 0.000 0.923 153 H CA 1.124 57.159 56.048 -0.022 0.000 0.993 153 H CB 0.554 30.306 29.762 -0.016 0.000 1.078 153 H HN 0.281 nan 8.280 nan 0.000 0.349 154 G N 1.264 110.122 108.800 0.096 0.000 2.746 154 G HA2 -0.200 3.760 3.960 0.001 0.000 0.685 154 G HA3 -0.200 3.760 3.960 0.001 0.000 0.685 154 G C 0.830 175.769 174.900 0.065 0.000 1.350 154 G CA -0.060 45.062 45.100 0.037 0.000 0.837 154 G HN 0.203 nan 8.290 nan 0.000 0.564 155 I N 0.273 120.867 120.570 0.040 0.000 2.118 155 I HA -0.291 3.879 4.170 0.001 0.000 0.241 155 I C 3.001 179.162 176.117 0.073 0.000 1.070 155 I CA 2.487 63.820 61.300 0.054 0.000 1.327 155 I CB -0.422 37.596 38.000 0.031 0.000 1.034 155 I HN 0.664 nan 8.210 nan 0.000 0.405 156 Q N 0.346 120.191 119.800 0.074 0.000 2.030 156 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 156 Q C 2.317 178.379 176.000 0.104 0.000 0.986 156 Q CA 1.716 57.577 55.803 0.096 0.000 0.843 156 Q CB -0.567 28.220 28.738 0.082 0.000 0.904 156 Q HN 0.342 nan 8.270 nan 0.000 0.420 157 V N 0.880 120.851 119.914 0.095 0.000 2.407 157 V HA -0.267 3.853 4.120 0.001 0.000 0.248 157 V C 2.202 178.333 176.094 0.062 0.000 1.055 157 V CA 2.032 64.389 62.300 0.095 0.000 1.049 157 V CB -0.568 31.335 31.823 0.132 0.000 0.662 157 V HN 0.447 nan 8.190 nan 0.000 0.455 158 E N 0.265 120.505 120.200 0.068 0.000 2.051 158 E HA -0.237 4.114 4.350 0.001 0.000 0.192 158 E C 2.499 179.113 176.600 0.024 0.000 0.991 158 E CA 1.264 57.691 56.400 0.045 0.000 0.799 158 E CB -0.044 29.717 29.700 0.102 0.000 0.748 158 E HN 0.520 nan 8.360 nan 0.000 0.449 159 R N 0.403 120.913 120.500 0.017 0.000 2.091 159 R HA -0.139 4.202 4.340 0.001 0.000 0.238 159 R C 2.024 178.210 176.300 -0.189 0.000 1.136 159 R CA 1.605 57.636 56.100 -0.116 0.000 0.959 159 R CB -0.183 30.093 30.300 -0.040 0.000 0.856 159 R HN 0.245 nan 8.270 nan 0.000 0.437 160 D N 0.455 120.878 120.400 0.038 0.000 2.144 160 D HA -0.133 4.508 4.640 0.001 0.000 0.199 160 D C 1.688 178.009 176.300 0.035 0.000 0.984 160 D CA 1.250 55.320 54.000 0.117 0.000 0.834 160 D CB -0.028 40.865 40.800 0.155 0.000 0.955 160 D HN 0.211 nan 8.370 nan 0.000 0.465 161 K N 0.039 120.437 120.400 -0.002 0.000 2.057 161 K HA 0.018 4.338 4.320 0.001 0.000 0.206 161 K C 2.103 178.689 176.600 -0.023 0.000 1.050 161 K CA 0.580 56.857 56.287 -0.018 0.000 0.935 161 K CB -0.018 32.446 32.500 -0.061 0.000 0.715 161 K HN 0.158 nan 8.250 nan 0.000 0.439 162 L N 0.396 121.590 121.223 -0.048 0.000 2.492 162 L HA 0.027 4.367 4.340 0.001 0.000 0.223 162 L C 0.594 177.390 176.870 -0.125 0.000 1.132 162 L CA 0.048 54.854 54.840 -0.056 0.000 0.850 162 L CB -0.467 41.576 42.059 -0.026 0.000 0.966 162 L HN 0.375 nan 8.230 nan 0.000 0.454 163 N N 1.267 119.850 118.700 -0.196 0.000 2.754 163 N HA -0.182 4.559 4.740 0.001 0.000 0.248 163 N C -0.436 174.817 175.510 -0.429 0.000 1.093 163 N CA 0.420 53.330 53.050 -0.234 0.000 0.699 163 N CB -0.374 38.096 38.487 -0.028 0.000 1.016 163 N HN 0.385 nan 8.380 nan 0.000 0.552 164 K N 1.382 121.352 120.400 -0.716 0.000 2.450 164 K HA 0.392 4.712 4.320 0.001 0.000 0.257 164 K C -1.442 174.764 176.600 -0.657 0.000 0.953 164 K CA -0.337 55.650 56.287 -0.500 0.000 0.844 164 K CB 1.024 33.364 32.500 -0.267 0.000 1.103 164 K HN 0.101 nan 8.250 nan 0.000 0.429 165 Y N -0.503 119.804 120.300 0.011 0.000 2.524 165 Y HA 0.422 4.973 4.550 0.001 0.000 0.347 165 Y C 1.003 176.910 175.900 0.011 0.000 1.005 165 Y CA -0.749 57.359 58.100 0.014 0.000 1.025 165 Y CB 2.540 41.008 38.460 0.014 0.000 1.275 165 Y HN 0.766 nan 8.280 nan 0.000 0.460 166 G N 1.530 110.442 108.800 0.187 0.000 2.157 166 G HA2 -0.200 3.761 3.960 0.001 0.000 0.248 166 G HA3 -0.200 3.761 3.960 0.001 0.000 0.248 166 G C -0.209 174.734 174.900 0.071 0.000 0.979 166 G CA 0.208 45.376 45.100 0.113 0.000 0.650 166 G HN 0.871 nan 8.290 nan 0.000 0.529 167 R N -1.275 119.262 120.500 0.062 0.000 2.716 167 R HA 0.661 5.001 4.340 0.001 0.000 0.271 167 R C 0.429 176.751 176.300 0.037 0.000 1.028 167 R CA -0.545 55.581 56.100 0.044 0.000 0.883 167 R CB 0.204 30.522 30.300 0.030 0.000 1.250 167 R HN 0.924 nan 8.270 nan 0.000 0.465 168 G N 1.237 110.060 108.800 0.039 0.000 2.614 168 G HA2 0.327 4.288 3.960 0.001 0.000 0.239 168 G HA3 0.327 4.288 3.960 0.001 0.000 0.239 168 G C -0.143 174.769 174.900 0.020 0.000 1.240 168 G CA -0.801 44.317 45.100 0.030 0.000 0.842 168 G HN 0.370 nan 8.290 nan 0.000 0.584 169 L N 0.165 121.399 121.223 0.019 0.000 2.399 169 L HA 0.441 4.782 4.340 0.001 0.000 0.266 169 L C 0.210 177.119 176.870 0.065 0.000 1.114 169 L CA -0.551 54.307 54.840 0.030 0.000 0.804 169 L CB 1.135 43.262 42.059 0.112 0.000 1.146 169 L HN 0.219 nan 8.230 nan 0.000 0.451 170 L N 1.273 122.526 121.223 0.049 0.000 2.341 170 L HA 0.686 5.027 4.340 0.001 0.000 0.278 170 L C 0.207 177.151 176.870 0.124 0.000 1.005 170 L CA -0.248 54.656 54.840 0.107 0.000 0.818 170 L CB 1.830 43.928 42.059 0.064 0.000 1.259 170 L HN 0.735 nan 8.230 nan 0.000 0.418 171 G N 1.049 109.949 108.800 0.168 0.000 3.105 171 G HA2 0.651 4.611 3.960 0.001 0.000 0.277 171 G HA3 0.651 4.611 3.960 0.001 0.000 0.277 171 G C -1.809 173.141 174.900 0.084 0.000 1.375 171 G CA -0.511 44.661 45.100 0.120 0.000 0.962 171 G HN 0.703 nan 8.290 nan 0.000 0.541 172 C N -0.245 119.047 119.300 -0.014 0.000 3.178 172 C HA 0.628 5.088 4.460 0.001 0.000 0.428 172 C C -0.318 174.634 174.990 -0.063 0.000 0.967 172 C CA -0.499 58.522 59.018 0.005 0.000 1.205 172 C CB 0.492 28.257 27.740 0.042 0.000 1.584 172 C HN 0.870 nan 8.230 nan 0.000 0.591 173 T N 7.021 121.560 114.554 -0.025 0.000 2.832 173 T HA 0.394 4.744 4.350 0.001 0.000 0.296 173 T C 0.592 175.286 174.700 -0.011 0.000 0.968 173 T CA -0.255 61.836 62.100 -0.015 0.000 1.107 173 T CB 0.352 69.245 68.868 0.042 0.000 0.916 173 T HN 0.597 nan 8.240 nan 0.000 0.517 174 I N 3.979 124.526 120.570 -0.039 0.000 2.710 174 I HA 0.172 4.343 4.170 0.001 0.000 0.286 174 I C 0.674 176.772 176.117 -0.031 0.000 1.181 174 I CA 0.214 61.436 61.300 -0.130 0.000 1.430 174 I CB -0.177 37.514 38.000 -0.514 0.000 1.367 174 I HN 0.451 nan 8.210 nan 0.000 0.577 175 K N 6.555 126.937 120.400 -0.030 0.000 2.435 175 K HA 0.567 4.888 4.320 0.001 0.000 0.251 175 K C -2.441 174.166 176.600 0.011 0.000 0.954 175 K CA -1.669 54.631 56.287 0.022 0.000 0.820 175 K CB 1.634 34.159 32.500 0.040 0.000 1.292 175 K HN 0.262 nan 8.250 nan 0.000 0.436 176 P HA 0.157 nan 4.420 nan 0.000 0.270 176 P C 0.312 177.643 177.300 0.053 0.000 1.223 176 P CA -0.201 62.915 63.100 0.026 0.000 0.785 176 P CB 0.843 32.539 31.700 -0.006 0.000 0.923 177 K N 0.122 120.551 120.400 0.048 0.000 2.020 177 K HA -0.080 4.240 4.320 0.001 0.000 0.212 177 K C 0.714 177.376 176.600 0.103 0.000 1.050 177 K CA 1.272 57.607 56.287 0.080 0.000 0.929 177 K CB -0.316 32.215 32.500 0.051 0.000 0.714 177 K HN 0.381 nan 8.250 nan 0.000 0.443 178 L N -1.945 119.269 121.223 -0.015 0.000 2.354 178 L HA 0.437 4.778 4.340 0.001 0.000 0.264 178 L C 0.685 177.243 176.870 -0.521 0.000 1.008 178 L CA -0.385 54.335 54.840 -0.201 0.000 0.819 178 L CB 2.277 44.235 42.059 -0.167 0.000 1.339 178 L HN 0.461 nan 8.230 nan 0.000 0.420 179 G N 1.266 109.309 108.800 -1.261 0.000 2.253 179 G HA2 -0.167 3.793 3.960 0.001 0.000 0.209 179 G HA3 -0.167 3.793 3.960 0.001 0.000 0.209 179 G C -0.178 174.557 174.900 -0.274 0.000 0.997 179 G CA -0.607 43.979 45.100 -0.858 0.000 0.640 179 G HN 0.315 nan 8.290 nan 0.000 0.496 180 L N 2.501 123.726 121.223 0.004 0.000 2.395 180 L HA 0.564 4.904 4.340 0.001 0.000 0.269 180 L C 1.473 178.558 176.870 0.358 0.000 1.133 180 L CA -0.067 54.901 54.840 0.212 0.000 0.812 180 L CB 1.439 43.682 42.059 0.307 0.000 1.125 180 L HN 0.452 nan 8.230 nan 0.000 0.452 181 S N 1.544 117.393 115.700 0.250 0.000 2.614 181 S HA 0.309 4.780 4.470 0.001 0.000 0.265 181 S C 1.102 175.830 174.600 0.212 0.000 1.303 181 S CA -0.164 58.167 58.200 0.218 0.000 1.000 181 S CB 1.539 64.812 63.200 0.122 0.000 0.935 181 S HN 0.705 nan 8.310 nan 0.000 0.551 182 A N 1.472 124.400 122.820 0.180 0.000 1.917 182 A HA -0.163 4.157 4.320 0.001 0.000 0.219 182 A C 2.113 179.767 177.584 0.117 0.000 1.182 182 A CA 2.264 54.448 52.037 0.245 0.000 0.633 182 A CB -1.120 18.111 19.000 0.384 0.000 0.819 182 A HN 0.939 nan 8.150 nan 0.000 0.448 183 K N 0.067 120.330 120.400 -0.228 0.000 2.057 183 K HA -0.100 4.221 4.320 0.001 0.000 0.206 183 K C 1.693 178.141 176.600 -0.254 0.000 1.050 183 K CA 1.794 57.657 56.287 -0.707 0.000 0.935 183 K CB -0.303 31.790 32.500 -0.678 0.000 0.715 183 K HN 0.413 nan 8.250 nan 0.000 0.439 184 N N -0.405 118.257 118.700 -0.063 0.000 2.244 184 N HA -0.150 4.590 4.740 0.001 0.000 0.183 184 N C 1.530 177.081 175.510 0.068 0.000 1.016 184 N CA 0.985 54.041 53.050 0.010 0.000 0.866 184 N CB -0.298 38.215 38.487 0.044 0.000 0.980 184 N HN 0.253 nan 8.380 nan 0.000 0.430 185 Y N 1.276 121.588 120.300 0.020 0.000 2.145 185 Y HA -0.122 4.429 4.550 0.001 0.000 0.286 185 Y C 2.457 178.378 175.900 0.035 0.000 1.145 185 Y CA 1.871 60.007 58.100 0.059 0.000 1.148 185 Y CB -0.647 37.877 38.460 0.105 0.000 0.981 185 Y HN 0.058 nan 8.280 nan 0.000 0.507 186 G N -0.559 108.350 108.800 0.182 0.000 2.418 186 G HA2 -0.300 3.661 3.960 0.001 0.000 0.217 186 G HA3 -0.300 3.661 3.960 0.001 0.000 0.217 186 G C 1.750 176.700 174.900 0.084 0.000 1.158 186 G CA 0.864 46.038 45.100 0.122 0.000 0.771 186 G HN 0.344 nan 8.290 nan 0.000 0.545 187 R N 0.606 121.128 120.500 0.037 0.000 2.094 187 R HA -0.066 4.274 4.340 0.001 0.000 0.239 187 R C 2.826 179.170 176.300 0.074 0.000 1.137 187 R CA 1.786 57.926 56.100 0.068 0.000 0.943 187 R CB -0.487 29.821 30.300 0.014 0.000 0.850 187 R HN 0.271 nan 8.270 nan 0.000 0.433 188 A N 0.178 122.999 122.820 0.002 0.000 1.933 188 A HA -0.100 4.220 4.320 0.001 0.000 0.218 188 A C 2.302 179.865 177.584 -0.034 0.000 1.175 188 A CA 1.624 53.636 52.037 -0.042 0.000 0.628 188 A CB -0.512 18.419 19.000 -0.114 0.000 0.814 188 A HN 0.262 nan 8.150 nan 0.000 0.444 189 V N -1.222 118.685 119.914 -0.010 0.000 2.358 189 V HA -0.262 3.858 4.120 0.001 0.000 0.246 189 V C 2.373 178.507 176.094 0.066 0.000 1.047 189 V CA 2.071 64.390 62.300 0.033 0.000 1.035 189 V CB -0.991 30.858 31.823 0.043 0.000 0.658 189 V HN 0.756 nan 8.190 nan 0.000 0.452 190 Y N 1.498 121.793 120.300 -0.008 0.000 2.128 190 Y HA -0.215 4.335 4.550 0.001 0.000 0.284 190 Y C 2.528 178.426 175.900 -0.004 0.000 1.154 190 Y CA 1.929 60.029 58.100 -0.001 0.000 1.149 190 Y CB -0.291 38.173 38.460 0.006 0.000 0.976 190 Y HN 0.282 nan 8.280 nan 0.000 0.505 191 E N -0.360 119.642 120.200 -0.331 0.000 2.072 191 E HA -0.203 4.148 4.350 0.001 0.000 0.191 191 E C 2.494 178.940 176.600 -0.257 0.000 0.985 191 E CA 1.390 57.549 56.400 -0.402 0.000 0.801 191 E CB -0.927 28.659 29.700 -0.189 0.000 0.750 191 E HN 0.550 nan 8.360 nan 0.000 0.452 192 C N 0.928 120.143 119.300 -0.143 0.000 2.413 192 C HA -0.115 4.345 4.460 0.001 0.000 0.277 192 C C 2.900 177.829 174.990 -0.101 0.000 1.228 192 C CA 0.534 59.495 59.018 -0.095 0.000 1.731 192 C CB -1.208 26.505 27.740 -0.046 0.000 2.042 192 C HN 0.362 nan 8.230 nan 0.000 0.468 193 L N 1.120 122.292 121.223 -0.085 0.000 2.083 193 L HA -0.150 4.190 4.340 0.001 0.000 0.209 193 L C 2.889 179.706 176.870 -0.088 0.000 1.083 193 L CA 1.748 56.552 54.840 -0.060 0.000 0.752 193 L CB -0.740 41.318 42.059 -0.001 0.000 0.899 193 L HN 0.494 nan 8.230 nan 0.000 0.433 194 R N 0.425 120.823 120.500 -0.169 0.000 2.237 194 R HA -0.052 4.288 4.340 0.001 0.000 0.219 194 R C 1.877 178.099 176.300 -0.129 0.000 1.080 194 R CA 1.233 57.236 56.100 -0.162 0.000 0.995 194 R CB -0.613 29.491 30.300 -0.327 0.000 0.875 194 R HN 0.245 nan 8.270 nan 0.000 0.462 195 G N -0.624 108.094 108.800 -0.137 0.000 2.880 195 G HA2 0.251 4.211 3.960 0.001 0.000 0.209 195 G HA3 0.251 4.211 3.960 0.001 0.000 0.209 195 G C 0.907 175.757 174.900 -0.083 0.000 1.157 195 G CA 0.307 45.341 45.100 -0.110 0.000 0.779 195 G HN 0.572 nan 8.290 nan 0.000 0.539 196 G N -0.750 108.005 108.800 -0.076 0.000 2.485 196 G HA2 -0.153 3.807 3.960 0.001 0.000 0.181 196 G HA3 -0.153 3.807 3.960 0.001 0.000 0.181 196 G C 0.298 175.155 174.900 -0.071 0.000 0.999 196 G CA -0.346 44.716 45.100 -0.064 0.000 0.721 196 G HN 0.313 nan 8.290 nan 0.000 0.486 197 L N 1.581 122.761 121.223 -0.072 0.000 2.417 197 L HA 0.352 4.693 4.340 0.001 0.000 0.268 197 L C 1.066 177.860 176.870 -0.126 0.000 1.158 197 L CA -0.568 54.229 54.840 -0.071 0.000 0.819 197 L CB 0.551 42.589 42.059 -0.036 0.000 1.112 197 L HN 0.001 nan 8.230 nan 0.000 0.458 198 D N 1.194 121.467 120.400 -0.211 0.000 2.183 198 D HA 0.037 4.677 4.640 0.001 0.000 0.205 198 D C -0.104 175.855 176.300 -0.568 0.000 0.962 198 D CA 1.517 55.234 54.000 -0.471 0.000 0.849 198 D CB 0.293 40.661 40.800 -0.720 0.000 0.978 198 D HN 0.143 nan 8.370 nan 0.000 0.488 199 F N 0.074 119.994 119.950 -0.050 0.000 2.588 199 F HA 0.297 4.824 4.527 0.000 0.000 0.310 199 F C 0.622 176.270 175.800 -0.254 0.000 1.082 199 F CA -1.111 56.791 58.000 -0.163 0.000 0.929 199 F CB 1.781 40.644 39.000 -0.228 0.000 1.254 199 F HN -0.335 nan 8.300 nan 0.000 0.455 203 D N 1.103 121.625 120.400 0.202 0.000 2.400 203 D HA -0.011 4.630 4.640 0.001 0.000 0.238 203 D C 1.532 177.822 176.300 -0.017 0.000 1.157 203 D CA 0.029 54.084 54.000 0.090 0.000 0.889 203 D CB 1.020 41.888 40.800 0.113 0.000 1.199 203 D HN 0.412 nan 8.370 nan 0.000 0.436 204 E N 2.272 122.345 120.200 -0.211 0.000 2.171 204 E HA -0.265 4.086 4.350 0.001 0.000 0.197 204 E C 0.713 177.202 176.600 -0.185 0.000 0.997 204 E CA 1.249 57.401 56.400 -0.412 0.000 0.810 204 E CB -0.387 28.676 29.700 -1.061 0.000 0.738 204 E HN 0.502 nan 8.360 nan 0.000 0.467 205 N N 0.941 119.588 118.700 -0.089 0.000 2.280 205 N HA 0.008 4.749 4.740 0.001 0.000 0.192 205 N C 0.024 175.568 175.510 0.055 0.000 1.109 205 N CA -0.115 52.923 53.050 -0.018 0.000 0.855 205 N CB 0.147 38.633 38.487 -0.001 0.000 0.974 205 N HN -0.053 nan 8.380 nan 0.000 0.482 206 V N 1.990 121.952 119.914 0.080 0.000 2.381 206 V HA 0.147 4.267 4.120 0.001 0.000 0.257 206 V C 0.296 176.436 176.094 0.077 0.000 1.057 206 V CA -0.047 62.325 62.300 0.119 0.000 1.013 206 V CB -0.578 31.331 31.823 0.142 0.000 1.069 206 V HN 0.324 nan 8.190 nan 0.000 0.484 207 N N 2.627 121.356 118.700 0.049 0.000 2.994 207 N HA 0.233 4.973 4.740 0.001 0.000 0.216 207 N C -0.132 175.405 175.510 0.044 0.000 1.166 207 N CA -0.279 52.793 53.050 0.036 0.000 1.155 207 N CB 0.528 39.013 38.487 -0.003 0.000 1.489 207 N HN 0.502 nan 8.380 nan 0.000 0.556 208 S N 0.197 115.898 115.700 0.002 0.000 2.677 208 S HA 0.453 4.923 4.470 0.001 0.000 0.283 208 S C -1.818 172.708 174.600 -0.123 0.000 1.159 208 S CA -0.425 57.774 58.200 -0.000 0.000 1.001 208 S CB 1.226 64.536 63.200 0.183 0.000 1.032 208 S HN 0.230 nan 8.310 nan 0.000 0.487 209 Q N 3.446 123.056 119.800 -0.317 0.000 2.495 209 Q HA 0.496 4.836 4.340 0.001 0.000 0.287 209 Q C -2.028 173.714 176.000 -0.430 0.000 1.078 209 Q CA -1.873 53.676 55.803 -0.424 0.000 0.793 209 Q CB 1.777 30.080 28.738 -0.725 0.000 1.459 209 Q HN 0.272 nan 8.270 nan 0.000 0.422 210 P HA -0.224 nan 4.420 nan 0.000 0.217 210 P C 0.673 177.913 177.300 -0.100 0.000 1.158 210 P CA 1.589 64.625 63.100 -0.106 0.000 0.887 210 P CB -0.020 31.691 31.700 0.019 0.000 0.792 211 F N -2.449 117.515 119.950 0.022 0.000 2.502 211 F HA 0.215 4.743 4.527 0.001 0.000 0.298 211 F C 1.053 176.871 175.800 0.030 0.000 1.111 211 F CA 0.227 58.244 58.000 0.028 0.000 1.445 211 F CB -0.624 38.398 39.000 0.037 0.000 1.081 211 F HN -0.156 nan 8.300 nan 0.000 0.558 212 M N 1.305 120.580 119.600 -0.541 0.000 2.331 212 M HA 0.335 4.815 4.480 0.001 0.000 0.228 212 M C -1.421 174.693 176.300 -0.310 0.000 0.986 212 M CA -0.546 54.588 55.300 -0.278 0.000 0.972 212 M CB 0.974 33.524 32.600 -0.083 0.000 2.359 212 M HN -0.205 nan 8.290 nan 0.000 0.459 213 R N 3.813 124.196 120.500 -0.194 0.000 2.490 213 R HA 0.217 4.557 4.340 0.001 0.000 0.280 213 R C 1.099 177.280 176.300 -0.198 0.000 1.077 213 R CA -0.140 55.842 56.100 -0.197 0.000 1.065 213 R CB 0.497 30.659 30.300 -0.231 0.000 1.003 213 R HN 0.946 nan 8.270 nan 0.000 0.470 214 W N 4.432 125.607 121.300 -0.210 0.000 2.335 214 W HA -0.177 4.484 4.660 0.000 0.000 0.311 214 W C 1.200 177.508 176.519 -0.352 0.000 1.213 214 W CA 0.754 57.938 57.345 -0.267 0.000 1.274 214 W CB -0.516 28.717 29.460 -0.377 0.000 1.148 214 W HN 0.565 nan 8.180 nan 0.000 0.498 215 R N 1.052 120.711 120.500 -1.403 0.000 2.075 215 R HA -0.143 4.198 4.340 0.001 0.000 0.232 215 R C 1.974 177.969 176.300 -0.510 0.000 1.126 215 R CA 2.090 57.427 56.100 -1.270 0.000 0.963 215 R CB -0.437 28.939 30.300 -1.539 0.000 0.858 215 R HN -0.020 nan 8.270 nan 0.000 0.435 216 D N 0.022 120.186 120.400 -0.395 0.000 2.116 216 D HA -0.242 4.398 4.640 0.001 0.000 0.193 216 D C 1.859 178.138 176.300 -0.034 0.000 0.998 216 D CA 1.269 55.139 54.000 -0.217 0.000 0.836 216 D CB -0.244 40.505 40.800 -0.085 0.000 0.951 216 D HN 0.282 nan 8.370 nan 0.000 0.449 217 R N -0.217 120.324 120.500 0.068 0.000 2.070 217 R HA -0.151 4.189 4.340 0.001 0.000 0.233 217 R C 2.353 178.821 176.300 0.280 0.000 1.137 217 R CA 1.069 57.288 56.100 0.199 0.000 0.945 217 R CB -0.370 30.006 30.300 0.126 0.000 0.845 217 R HN 0.019 nan 8.270 nan 0.000 0.430 218 F N 0.858 120.816 119.950 0.012 0.000 2.120 218 F HA -0.205 4.323 4.527 0.000 0.000 0.300 218 F C 2.121 177.909 175.800 -0.020 0.000 1.095 218 F CA 1.061 59.086 58.000 0.042 0.000 1.249 218 F CB -0.789 38.291 39.000 0.133 0.000 0.995 218 F HN 0.063 nan 8.300 nan 0.000 0.480 219 L N -1.582 119.684 121.223 0.071 0.000 2.056 219 L HA -0.173 4.168 4.340 0.001 0.000 0.207 219 L C 2.283 179.099 176.870 -0.091 0.000 1.078 219 L CA 1.479 56.267 54.840 -0.085 0.000 0.749 219 L CB -1.084 40.811 42.059 -0.274 0.000 0.901 219 L HN -0.043 nan 8.230 nan 0.000 0.433 220 F N -1.417 118.561 119.950 0.047 0.000 2.186 220 F HA -0.134 4.394 4.527 0.001 0.000 0.299 220 F C 2.390 178.197 175.800 0.012 0.000 1.090 220 F CA 0.822 58.842 58.000 0.034 0.000 1.307 220 F CB -1.046 37.983 39.000 0.048 0.000 1.019 220 F HN -0.179 nan 8.300 nan 0.000 0.489 221 V N -0.214 119.792 119.914 0.153 0.000 2.358 221 V HA -0.258 3.862 4.120 0.001 0.000 0.246 221 V C 2.616 178.673 176.094 -0.063 0.000 1.047 221 V CA 1.562 63.848 62.300 -0.023 0.000 1.035 221 V CB -1.338 30.342 31.823 -0.237 0.000 0.658 221 V HN 0.324 nan 8.190 nan 0.000 0.452 222 A N -0.285 122.507 122.820 -0.046 0.000 1.892 222 A HA -0.340 3.980 4.320 0.001 0.000 0.218 222 A C 2.287 179.850 177.584 -0.035 0.000 1.188 222 A CA 2.361 54.339 52.037 -0.099 0.000 0.631 222 A CB -0.625 18.408 19.000 0.055 0.000 0.822 222 A HN 0.637 nan 8.150 nan 0.000 0.447 223 E N -0.332 119.923 120.200 0.092 0.000 2.085 223 E HA -0.164 4.186 4.350 0.001 0.000 0.194 223 E C 2.173 178.817 176.600 0.074 0.000 0.994 223 E CA 1.150 57.631 56.400 0.134 0.000 0.801 223 E CB -0.268 29.520 29.700 0.148 0.000 0.743 223 E HN 0.558 nan 8.360 nan 0.000 0.453 224 A N 0.945 123.798 122.820 0.055 0.000 1.902 224 A HA -0.149 4.171 4.320 0.001 0.000 0.217 224 A C 2.160 179.785 177.584 0.069 0.000 1.181 224 A CA 1.207 53.289 52.037 0.075 0.000 0.623 224 A CB -0.564 18.507 19.000 0.118 0.000 0.818 224 A HN 0.318 nan 8.150 nan 0.000 0.443 225 I N -1.657 118.874 120.570 -0.064 0.000 2.142 225 I HA -0.291 3.879 4.170 0.001 0.000 0.240 225 I C 2.382 178.440 176.117 -0.099 0.000 1.078 225 I CA 1.520 62.737 61.300 -0.139 0.000 1.343 225 I CB -0.444 37.344 38.000 -0.352 0.000 1.046 225 I HN 0.399 nan 8.210 nan 0.000 0.405 226 Y N 0.791 121.132 120.300 0.068 0.000 2.224 226 Y HA -0.244 4.307 4.550 0.001 0.000 0.289 226 Y C 2.527 178.455 175.900 0.046 0.000 1.146 226 Y CA 1.182 59.312 58.100 0.050 0.000 1.182 226 Y CB -0.800 37.681 38.460 0.035 0.000 0.983 226 Y HN 0.128 nan 8.280 nan 0.000 0.524 227 K N 0.296 120.794 120.400 0.163 0.000 2.057 227 K HA -0.140 4.180 4.320 0.001 0.000 0.207 227 K C 2.272 178.979 176.600 0.178 0.000 1.049 227 K CA 1.210 57.544 56.287 0.077 0.000 0.931 227 K CB -0.270 32.143 32.500 -0.146 0.000 0.714 227 K HN 0.228 nan 8.250 nan 0.000 0.440 228 A N 0.962 123.941 122.820 0.265 0.000 1.969 228 A HA -0.189 4.131 4.320 0.001 0.000 0.218 228 A C 2.053 179.725 177.584 0.146 0.000 1.169 228 A CA 1.433 53.633 52.037 0.272 0.000 0.635 228 A CB -0.490 18.640 19.000 0.216 0.000 0.810 228 A HN 0.553 nan 8.150 nan 0.000 0.445 229 Q N -0.571 119.308 119.800 0.132 0.000 2.079 229 Q HA -0.077 4.264 4.340 0.001 0.000 0.200 229 Q C 2.151 178.213 176.000 0.102 0.000 0.974 229 Q CA 1.391 57.259 55.803 0.109 0.000 0.840 229 Q CB -0.302 28.523 28.738 0.144 0.000 0.898 229 Q HN 0.604 nan 8.270 nan 0.000 0.430 230 A N 0.620 123.510 122.820 0.116 0.000 1.930 230 A HA -0.209 4.111 4.320 0.001 0.000 0.217 230 A C 1.845 179.476 177.584 0.077 0.000 1.175 230 A CA 1.516 53.604 52.037 0.086 0.000 0.627 230 A CB -0.543 18.503 19.000 0.077 0.000 0.815 230 A HN 0.594 nan 8.150 nan 0.000 0.443 231 E N -0.313 119.947 120.200 0.100 0.000 2.106 231 E HA -0.157 4.193 4.350 0.001 0.000 0.192 231 E C 1.957 178.596 176.600 0.065 0.000 0.984 231 E CA 1.760 58.217 56.400 0.095 0.000 0.806 231 E CB -0.038 29.753 29.700 0.153 0.000 0.750 231 E HN 0.720 nan 8.360 nan 0.000 0.458 232 T N -4.247 110.342 114.554 0.058 0.000 3.040 232 T HA 0.272 4.623 4.350 0.001 0.000 0.252 232 T C 1.551 176.268 174.700 0.028 0.000 1.064 232 T CA 0.627 62.747 62.100 0.033 0.000 1.110 232 T CB 0.612 69.490 68.868 0.017 0.000 0.921 232 T HN 0.314 nan 8.240 nan 0.000 0.480 233 G N 1.229 110.050 108.800 0.036 0.000 2.179 233 G HA2 -0.207 3.754 3.960 0.001 0.000 0.260 233 G HA3 -0.207 3.754 3.960 0.001 0.000 0.260 233 G C -0.255 174.658 174.900 0.022 0.000 0.977 233 G CA 0.171 45.289 45.100 0.031 0.000 0.641 233 G HN 0.673 nan 8.290 nan 0.000 0.533 234 E N -0.217 119.990 120.200 0.013 0.000 2.195 234 E HA 0.528 4.878 4.350 0.001 0.000 0.271 234 E C 0.351 176.946 176.600 -0.008 0.000 0.923 234 E CA -1.039 55.356 56.400 -0.008 0.000 0.790 234 E CB 2.491 32.171 29.700 -0.032 0.000 1.155 234 E HN 0.082 nan 8.360 nan 0.000 0.402 235 V N 3.772 123.675 119.914 -0.018 0.000 2.617 235 V HA -0.042 4.078 4.120 0.001 0.000 0.304 235 V C 0.303 176.364 176.094 -0.055 0.000 1.040 235 V CA 0.568 62.862 62.300 -0.011 0.000 1.149 235 V CB -0.114 31.701 31.823 -0.013 0.000 0.914 235 V HN 0.525 nan 8.190 nan 0.000 0.487 236 K N 3.029 123.422 120.400 -0.012 0.000 2.395 236 K HA 0.824 5.145 4.320 0.001 0.000 0.247 236 K C 0.042 176.676 176.600 0.057 0.000 0.973 236 K CA -0.367 55.902 56.287 -0.031 0.000 0.828 236 K CB 2.497 34.995 32.500 -0.004 0.000 1.272 236 K HN 0.845 nan 8.250 nan 0.000 0.439 237 G N 0.114 109.012 108.800 0.162 0.000 2.708 237 G HA2 0.427 4.387 3.960 0.001 0.000 0.289 237 G HA3 0.427 4.387 3.960 0.001 0.000 0.289 237 G C -1.875 173.220 174.900 0.326 0.000 1.416 237 G CA -0.240 45.049 45.100 0.315 0.000 0.829 237 G HN 0.557 nan 8.290 nan 0.000 0.480 238 H N -0.162 118.967 119.070 0.098 0.000 3.042 238 H HA 0.293 4.850 4.556 0.001 0.000 0.345 238 H C -1.350 173.963 175.328 -0.026 0.000 1.052 238 H CA -0.617 55.407 56.048 -0.040 0.000 1.311 238 H CB 1.340 31.083 29.762 -0.032 0.000 1.810 238 H HN 0.373 nan 8.280 nan 0.000 0.505 239 Y N 5.594 125.654 120.300 -0.400 0.000 2.644 239 Y HA 0.139 4.689 4.550 0.001 0.000 0.354 239 Y C 0.836 176.647 175.900 -0.148 0.000 1.166 239 Y CA -0.639 57.288 58.100 -0.289 0.000 1.591 239 Y CB -0.684 37.538 38.460 -0.396 0.000 1.346 239 Y HN 0.316 nan 8.280 nan 0.000 0.497 240 L N 3.369 124.637 121.223 0.075 0.000 2.410 240 L HA 0.084 4.424 4.340 0.001 0.000 0.273 240 L C 0.740 177.621 176.870 0.019 0.000 1.152 240 L CA 0.173 54.953 54.840 -0.100 0.000 0.855 240 L CB 0.337 41.939 42.059 -0.762 0.000 1.129 240 L HN 0.619 nan 8.230 nan 0.000 0.463 241 N N 1.807 120.600 118.700 0.155 0.000 2.411 241 N HA 0.209 4.950 4.740 0.001 0.000 0.259 241 N C 0.532 176.181 175.510 0.230 0.000 1.103 241 N CA -0.122 53.037 53.050 0.182 0.000 0.954 241 N CB 1.114 39.695 38.487 0.156 0.000 1.085 241 N HN 0.764 nan 8.380 nan 0.000 0.485 242 A N 2.705 125.619 122.820 0.157 0.000 2.275 242 A HA 0.074 4.395 4.320 0.001 0.000 0.212 242 A C 0.691 178.300 177.584 0.041 0.000 1.201 242 A CA 0.023 52.098 52.037 0.064 0.000 0.843 242 A CB 0.009 19.016 19.000 0.011 0.000 0.873 242 A HN 0.598 nan 8.150 nan 0.000 0.492 243 T N 1.690 116.321 114.554 0.130 0.000 2.934 243 T HA 0.447 4.797 4.350 0.001 0.000 0.306 243 T C 0.198 174.895 174.700 -0.006 0.000 1.042 243 T CA 0.952 63.125 62.100 0.121 0.000 1.145 243 T CB 0.716 69.600 68.868 0.028 0.000 0.982 243 T HN 0.760 nan 8.240 nan 0.000 0.544 244 A N 2.165 124.976 122.820 -0.015 0.000 2.588 244 A HA 0.785 5.105 4.320 0.001 0.000 0.290 244 A C 1.247 178.799 177.584 -0.053 0.000 1.136 244 A CA -0.293 51.697 52.037 -0.079 0.000 0.681 244 A CB 0.629 19.531 19.000 -0.164 0.000 1.282 244 A HN 0.766 nan 8.150 nan 0.000 0.421 245 G N -0.592 108.171 108.800 -0.062 0.000 2.421 245 G HA2 0.323 4.283 3.960 0.001 0.000 0.217 245 G HA3 0.323 4.283 3.960 0.001 0.000 0.217 245 G C 0.707 175.582 174.900 -0.042 0.000 1.143 245 G CA 1.824 46.897 45.100 -0.044 0.000 0.784 245 G HN 1.624 nan 8.290 nan 0.000 0.541 246 T N -4.081 110.438 114.554 -0.057 0.000 2.906 246 T HA 0.320 4.671 4.350 0.001 0.000 0.295 246 T C 0.937 175.593 174.700 -0.072 0.000 1.075 246 T CA -0.329 61.739 62.100 -0.054 0.000 1.005 246 T CB 1.442 70.280 68.868 -0.050 0.000 1.136 246 T HN -0.063 nan 8.240 nan 0.000 0.498 247 C N 0.960 120.223 119.300 -0.063 0.000 2.401 247 C HA -0.063 4.397 4.460 0.001 0.000 0.276 247 C C 2.637 177.561 174.990 -0.110 0.000 1.233 247 C CA 1.138 60.106 59.018 -0.083 0.000 1.753 247 C CB -1.306 26.397 27.740 -0.061 0.000 2.029 247 C HN 1.027 nan 8.230 nan 0.000 0.478 248 E N 0.646 120.790 120.200 -0.092 0.000 2.077 248 E HA -0.145 4.206 4.350 0.001 0.000 0.193 248 E C 2.255 178.774 176.600 -0.134 0.000 0.989 248 E CA 0.933 57.275 56.400 -0.097 0.000 0.800 248 E CB -0.296 29.366 29.700 -0.065 0.000 0.746 248 E HN 0.515 nan 8.360 nan 0.000 0.452 249 E N 0.185 120.300 120.200 -0.142 0.000 2.077 249 E HA -0.170 4.180 4.350 0.001 0.000 0.193 249 E C 2.019 178.430 176.600 -0.315 0.000 0.989 249 E CA 0.780 57.053 56.400 -0.212 0.000 0.800 249 E CB -0.269 29.321 29.700 -0.183 0.000 0.746 249 E HN 0.312 nan 8.360 nan 0.000 0.452 250 M N -0.270 119.181 119.600 -0.247 0.000 2.082 250 M HA -0.211 4.269 4.480 0.001 0.000 0.258 250 M C 1.932 178.051 176.300 -0.302 0.000 1.069 250 M CA 1.399 56.544 55.300 -0.258 0.000 1.102 250 M CB 0.006 32.489 32.600 -0.195 0.000 1.336 250 M HN 0.048 nan 8.290 nan 0.000 0.404 251 M N -0.055 119.375 119.600 -0.283 0.000 2.175 251 M HA -0.156 4.325 4.480 0.001 0.000 0.264 251 M C 1.915 178.017 176.300 -0.329 0.000 1.063 251 M CA 1.639 56.732 55.300 -0.346 0.000 1.119 251 M CB -1.159 31.270 32.600 -0.285 0.000 1.377 251 M HN 0.237 nan 8.290 nan 0.000 0.415 252 K N -0.198 120.041 120.400 -0.269 0.000 2.063 252 K HA -0.163 4.157 4.320 0.001 0.000 0.208 252 K C 2.163 178.587 176.600 -0.294 0.000 1.048 252 K CA 1.461 57.622 56.287 -0.210 0.000 0.928 252 K CB -0.055 32.353 32.500 -0.152 0.000 0.713 252 K HN 0.269 nan 8.250 nan 0.000 0.442 253 R N -0.006 120.139 120.500 -0.593 0.000 2.073 253 R HA -0.101 4.239 4.340 0.001 0.000 0.234 253 R C 2.396 178.677 176.300 -0.032 0.000 1.134 253 R CA 1.336 57.060 56.100 -0.626 0.000 0.952 253 R CB -0.398 29.443 30.300 -0.765 0.000 0.850 253 R HN 0.195 nan 8.270 nan 0.000 0.433 254 A N 1.092 123.835 122.820 -0.128 0.000 1.883 254 A HA -0.088 4.232 4.320 0.001 0.000 0.217 254 A C 1.417 179.026 177.584 0.042 0.000 1.186 254 A CA 1.103 53.104 52.037 -0.060 0.000 0.624 254 A CB -0.660 18.149 19.000 -0.318 0.000 0.822 254 A HN 0.082 nan 8.150 nan 0.000 0.444 258 K N 0.906 121.438 120.400 0.221 0.000 2.063 258 K HA -0.181 4.140 4.320 0.001 0.000 0.208 258 K C 1.460 178.156 176.600 0.160 0.000 1.048 258 K CA 1.992 58.393 56.287 0.190 0.000 0.928 258 K CB -0.180 32.460 32.500 0.233 0.000 0.713 258 K HN 0.654 nan 8.250 nan 0.000 0.442 259 E N 0.472 120.772 120.200 0.166 0.000 2.204 259 E HA -0.149 4.202 4.350 0.001 0.000 0.195 259 E C 1.967 178.649 176.600 0.136 0.000 0.990 259 E CA 0.862 57.342 56.400 0.134 0.000 0.821 259 E CB -0.028 29.747 29.700 0.124 0.000 0.750 259 E HN 0.322 nan 8.360 nan 0.000 0.477 260 L N -0.527 120.799 121.223 0.171 0.000 2.492 260 L HA 0.090 4.430 4.340 0.001 0.000 0.223 260 L C 1.551 178.564 176.870 0.239 0.000 1.132 260 L CA 0.459 55.417 54.840 0.196 0.000 0.850 260 L CB -0.038 42.142 42.059 0.202 0.000 0.966 260 L HN 0.304 nan 8.230 nan 0.000 0.454 261 G N 0.495 109.410 108.800 0.191 0.000 2.148 261 G HA2 -0.273 3.687 3.960 0.001 0.000 0.254 261 G HA3 -0.273 3.687 3.960 0.001 0.000 0.254 261 G C 0.445 175.478 174.900 0.221 0.000 0.981 261 G CA 0.279 45.496 45.100 0.194 0.000 0.670 261 G HN 0.272 nan 8.290 nan 0.000 0.528 262 V N -1.779 118.238 119.914 0.171 0.000 2.924 262 V HA 0.603 4.724 4.120 0.001 0.000 0.305 262 V C 0.073 176.220 176.094 0.089 0.000 1.073 262 V CA -0.638 61.718 62.300 0.095 0.000 1.098 262 V CB 1.069 32.900 31.823 0.014 0.000 1.000 262 V HN 0.084 nan 8.190 nan 0.000 0.484 263 P HA 0.252 nan 4.420 nan 0.000 0.227 263 P C 0.122 177.444 177.300 0.036 0.000 1.161 263 P CA 0.727 63.871 63.100 0.074 0.000 0.788 263 P CB 0.467 32.237 31.700 0.118 0.000 0.822 264 I N -0.295 120.299 120.570 0.039 0.000 2.752 264 I HA 0.388 4.558 4.170 0.001 0.000 0.295 264 I C -1.126 174.987 176.117 -0.008 0.000 1.219 264 I CA -1.601 59.681 61.300 -0.029 0.000 1.030 264 I CB 2.339 40.271 38.000 -0.112 0.000 1.259 264 I HN -0.245 nan 8.210 nan 0.000 0.423 265 I N 4.262 124.810 120.570 -0.036 0.000 3.206 265 I HA 0.699 4.869 4.170 0.001 0.000 0.313 265 I C -0.916 175.194 176.117 -0.010 0.000 1.103 265 I CA -0.989 60.311 61.300 -0.001 0.000 0.985 265 I CB 2.164 40.183 38.000 0.032 0.000 1.240 265 I HN 0.720 nan 8.210 nan 0.000 0.464 266 M N 1.406 121.046 119.600 0.066 0.000 2.658 266 M HA 0.654 5.135 4.480 0.001 0.000 0.295 266 M C -1.563 174.851 176.300 0.189 0.000 1.248 266 M CA -0.538 54.837 55.300 0.124 0.000 0.843 266 M CB 2.283 35.006 32.600 0.205 0.000 1.749 266 M HN 0.797 nan 8.290 nan 0.000 0.464 267 H N -0.237 118.871 119.070 0.063 0.000 2.954 267 H HA 0.426 4.983 4.556 0.001 0.000 0.361 267 H C -1.998 173.380 175.328 0.083 0.000 1.122 267 H CA -0.575 55.500 56.048 0.044 0.000 1.217 267 H CB 1.712 31.484 29.762 0.017 0.000 1.776 267 H HN 0.775 nan 8.280 nan 0.000 0.533 268 D N 5.230 125.375 120.400 -0.424 0.000 2.453 268 D HA -0.006 4.634 4.640 0.001 0.000 0.223 268 D C 0.849 176.830 176.300 -0.531 0.000 1.183 268 D CA -0.173 53.638 54.000 -0.315 0.000 0.933 268 D CB -0.181 40.475 40.800 -0.240 0.000 1.038 268 D HN 0.629 nan 8.370 nan 0.000 0.513 269 Y N 0.915 120.939 120.300 -0.459 0.000 2.403 269 Y HA -0.064 4.486 4.550 0.001 0.000 0.291 269 Y C 1.253 176.873 175.900 -0.468 0.000 1.143 269 Y CA 0.874 58.727 58.100 -0.410 0.000 1.257 269 Y CB -0.428 37.901 38.460 -0.217 0.000 0.984 269 Y HN 0.231 nan 8.280 nan 0.000 0.550 270 L N 0.236 120.947 121.223 -0.854 0.000 2.253 270 L HA -0.012 4.329 4.340 0.001 0.000 0.205 270 L C 2.546 179.157 176.870 -0.432 0.000 1.078 270 L CA 1.297 55.663 54.840 -0.790 0.000 0.805 270 L CB -0.602 41.025 42.059 -0.721 0.000 0.963 270 L HN 0.392 nan 8.230 nan 0.000 0.459 271 T N -3.676 110.683 114.554 -0.325 0.000 3.014 271 T HA 0.026 4.377 4.350 0.001 0.000 0.263 271 T C 1.875 176.464 174.700 -0.185 0.000 1.078 271 T CA 0.738 62.711 62.100 -0.212 0.000 1.135 271 T CB -0.347 68.424 68.868 -0.161 0.000 0.895 271 T HN 0.288 nan 8.240 nan 0.000 0.480 272 G N 1.442 110.100 108.800 -0.237 0.000 2.394 272 G HA2 0.429 4.390 3.960 0.001 0.000 0.214 272 G HA3 0.429 4.390 3.960 0.001 0.000 0.214 272 G C 0.887 175.750 174.900 -0.061 0.000 1.176 272 G CA 0.249 45.286 45.100 -0.106 0.000 0.786 272 G HN 1.231 nan 8.290 nan 0.000 0.533 273 G N -1.963 106.738 108.800 -0.164 0.000 2.570 273 G HA2 -0.020 3.940 3.960 0.001 0.000 0.686 273 G HA3 -0.020 3.940 3.960 0.001 0.000 0.686 273 G C 0.131 174.973 174.900 -0.097 0.000 1.257 273 G CA -0.152 44.828 45.100 -0.199 0.000 0.846 273 G HN 0.103 nan 8.290 nan 0.000 0.627 274 F N 0.526 120.478 119.950 0.003 0.000 2.234 274 F HA 0.015 4.542 4.527 0.001 0.000 0.299 274 F C 3.078 178.902 175.800 0.039 0.000 1.087 274 F CA 2.253 60.265 58.000 0.021 0.000 1.340 274 F CB -0.533 38.425 39.000 -0.070 0.000 1.031 274 F HN 0.550 nan 8.300 nan 0.000 0.500 275 T N -0.203 114.473 114.554 0.204 0.000 2.701 275 T HA -0.160 4.190 4.350 0.001 0.000 0.263 275 T C 2.352 177.101 174.700 0.082 0.000 1.040 275 T CA 1.401 63.575 62.100 0.124 0.000 1.147 275 T CB -0.716 68.204 68.868 0.086 0.000 0.865 275 T HN 0.260 nan 8.240 nan 0.000 0.426 276 A N 2.164 125.025 122.820 0.068 0.000 1.908 276 A HA -0.202 4.118 4.320 0.001 0.000 0.218 276 A C 2.259 179.825 177.584 -0.030 0.000 1.181 276 A CA 1.860 53.907 52.037 0.016 0.000 0.627 276 A CB -0.876 18.149 19.000 0.043 0.000 0.818 276 A HN 0.549 nan 8.150 nan 0.000 0.445 277 N N -0.676 118.084 118.700 0.101 0.000 2.084 277 N HA -0.143 4.597 4.740 0.001 0.000 0.190 277 N C 1.682 177.224 175.510 0.054 0.000 1.030 277 N CA 2.104 55.215 53.050 0.102 0.000 0.849 277 N CB -0.247 38.421 38.487 0.303 0.000 1.012 277 N HN 0.441 nan 8.380 nan 0.000 0.423 278 T N 0.233 114.850 114.554 0.105 0.000 2.720 278 T HA -0.070 4.280 4.350 0.001 0.000 0.268 278 T C 2.121 176.841 174.700 0.033 0.000 1.037 278 T CA 1.315 63.463 62.100 0.081 0.000 1.144 278 T CB -0.303 68.630 68.868 0.109 0.000 0.864 278 T HN 0.214 nan 8.240 nan 0.000 0.444 279 S N 1.192 116.900 115.700 0.014 0.000 2.368 279 S HA -0.039 4.431 4.470 0.001 0.000 0.225 279 S C 1.913 176.512 174.600 -0.002 0.000 1.030 279 S CA 0.750 58.950 58.200 -0.000 0.000 0.999 279 S CB -0.462 62.724 63.200 -0.023 0.000 0.844 279 S HN 0.265 nan 8.310 nan 0.000 0.459 280 L N 1.596 122.781 121.223 -0.063 0.000 2.141 280 L HA 0.085 4.425 4.340 0.001 0.000 0.209 280 L C 2.261 179.142 176.870 0.018 0.000 1.094 280 L CA 1.595 56.396 54.840 -0.066 0.000 0.763 280 L CB -0.906 41.003 42.059 -0.249 0.000 0.908 280 L HN 0.243 nan 8.230 nan 0.000 0.437 281 A N -0.401 122.417 122.820 -0.003 0.000 1.898 281 A HA -0.129 4.192 4.320 0.001 0.000 0.216 281 A C 2.241 179.819 177.584 -0.010 0.000 1.181 281 A CA 1.783 53.815 52.037 -0.008 0.000 0.620 281 A CB -0.744 18.247 19.000 -0.014 0.000 0.819 281 A HN 0.464 nan 8.150 nan 0.000 0.442 282 I N -1.943 118.633 120.570 0.009 0.000 2.163 282 I HA -0.289 3.882 4.170 0.001 0.000 0.243 282 I C 2.451 178.576 176.117 0.014 0.000 1.085 282 I CA 1.817 63.118 61.300 0.002 0.000 1.347 282 I CB -0.444 37.563 38.000 0.012 0.000 1.044 282 I HN 0.521 nan 8.210 nan 0.000 0.408 283 Y N 0.955 121.230 120.300 -0.042 0.000 2.165 283 Y HA -0.343 4.208 4.550 0.001 0.000 0.286 283 Y C 2.695 178.586 175.900 -0.015 0.000 1.155 283 Y CA 1.662 59.744 58.100 -0.029 0.000 1.164 283 Y CB -0.398 38.041 38.460 -0.035 0.000 0.978 283 Y HN 0.211 nan 8.280 nan 0.000 0.513 284 C N -0.241 119.082 119.300 0.039 0.000 2.446 284 C HA -0.101 4.360 4.460 0.001 0.000 0.277 284 C C 2.733 177.690 174.990 -0.056 0.000 1.275 284 C CA 1.248 60.277 59.018 0.018 0.000 1.727 284 C CB -1.120 26.665 27.740 0.074 0.000 2.010 284 C HN 0.564 nan 8.230 nan 0.000 0.486 285 R N 1.917 122.330 120.500 -0.145 0.000 2.103 285 R HA -0.130 4.211 4.340 0.001 0.000 0.242 285 R C 1.392 177.606 176.300 -0.142 0.000 1.142 285 R CA 2.085 58.054 56.100 -0.219 0.000 0.960 285 R CB -0.906 29.279 30.300 -0.192 0.000 0.858 285 R HN 0.456 nan 8.270 nan 0.000 0.439 286 D N -0.560 119.736 120.400 -0.173 0.000 2.347 286 D HA -0.022 4.618 4.640 0.001 0.000 0.215 286 D C 0.375 176.545 176.300 -0.217 0.000 0.976 286 D CA 0.756 54.648 54.000 -0.180 0.000 0.884 286 D CB 0.056 40.745 40.800 -0.186 0.000 0.915 286 D HN 0.386 nan 8.370 nan 0.000 0.526 287 N N -0.881 117.660 118.700 -0.265 0.000 2.143 287 N HA 0.112 4.852 4.740 0.001 0.000 0.222 287 N C 0.922 176.394 175.510 -0.063 0.000 1.264 287 N CA 0.388 53.300 53.050 -0.231 0.000 0.897 287 N CB 2.117 40.309 38.487 -0.491 0.000 1.092 287 N HN 0.074 nan 8.380 nan 0.000 0.516 288 G N 1.718 110.539 108.800 0.034 0.000 2.153 288 G HA2 -0.268 3.692 3.960 0.001 0.000 0.252 288 G HA3 -0.268 3.692 3.960 0.001 0.000 0.252 288 G C -0.042 174.893 174.900 0.059 0.000 0.994 288 G CA 0.017 45.188 45.100 0.119 0.000 0.698 288 G HN 0.244 nan 8.290 nan 0.000 0.521 289 L N 0.320 121.614 121.223 0.118 0.000 2.349 289 L HA 0.485 4.825 4.340 0.001 0.000 0.275 289 L C 1.223 178.158 176.870 0.109 0.000 1.115 289 L CA -0.809 54.081 54.840 0.083 0.000 0.820 289 L CB 0.881 43.007 42.059 0.111 0.000 1.135 289 L HN 0.101 nan 8.230 nan 0.000 0.445 290 L N 3.934 125.134 121.223 -0.039 0.000 2.417 290 L HA 0.238 4.579 4.340 0.001 0.000 0.268 290 L C -0.377 176.437 176.870 -0.093 0.000 1.158 290 L CA -0.298 54.506 54.840 -0.060 0.000 0.819 290 L CB 0.882 42.829 42.059 -0.186 0.000 1.112 290 L HN 0.382 nan 8.230 nan 0.000 0.458 291 L N 2.485 123.630 121.223 -0.129 0.000 2.377 291 L HA 0.343 4.683 4.340 0.001 0.000 0.270 291 L C -0.560 176.139 176.870 -0.285 0.000 0.991 291 L CA -0.240 54.511 54.840 -0.147 0.000 0.851 291 L CB 0.927 42.950 42.059 -0.060 0.000 1.218 291 L HN 0.464 nan 8.230 nan 0.000 0.420 292 H N 5.285 124.070 119.070 -0.475 0.000 2.580 292 H HA 0.534 5.090 4.556 0.001 0.000 0.322 292 H C -0.788 174.425 175.328 -0.192 0.000 1.082 292 H CA -0.348 55.378 56.048 -0.536 0.000 1.383 292 H CB 0.727 29.877 29.762 -1.019 0.000 1.450 292 H HN 0.492 nan 8.280 nan 0.000 0.505 293 I N 5.905 126.135 120.570 -0.566 0.000 2.362 293 I HA 0.102 4.272 4.170 0.001 0.000 0.289 293 I C 0.122 176.103 176.117 -0.226 0.000 0.994 293 I CA -0.441 60.697 61.300 -0.270 0.000 1.158 293 I CB 0.846 38.668 38.000 -0.296 0.000 1.315 293 I HN 0.722 nan 8.210 nan 0.000 0.451 294 H N 7.578 126.586 119.070 -0.104 0.000 2.502 294 H HA 0.283 4.839 4.556 0.000 0.000 0.327 294 H C 0.471 175.758 175.328 -0.069 0.000 1.099 294 H CA -0.262 55.661 56.048 -0.209 0.000 1.323 294 H CB 1.382 31.054 29.762 -0.150 0.000 1.450 294 H HN 0.580 nan 8.280 nan 0.000 0.502 295 R N 3.120 123.435 120.500 -0.308 0.000 2.586 295 R HA 0.401 4.742 4.340 0.001 0.000 0.306 295 R C 0.111 176.434 176.300 0.038 0.000 1.079 295 R CA -0.433 55.670 56.100 0.006 0.000 1.083 295 R CB 0.004 30.270 30.300 -0.057 0.000 1.306 295 R HN 0.385 nan 8.270 nan 0.000 0.567 296 A N 1.578 124.531 122.820 0.222 0.000 2.608 296 A HA 0.006 4.327 4.320 0.001 0.000 0.239 296 A C 0.951 178.539 177.584 0.007 0.000 1.018 296 A CA 1.099 53.238 52.037 0.169 0.000 0.766 296 A CB -0.209 18.855 19.000 0.107 0.000 0.928 296 A HN 0.863 nan 8.150 nan 0.000 0.512 297 M N 0.177 119.767 119.600 -0.016 0.000 3.023 297 M HA -0.298 4.183 4.480 0.001 0.000 0.214 297 M C 1.055 177.292 176.300 -0.105 0.000 0.575 297 M CA 1.855 57.104 55.300 -0.085 0.000 0.820 297 M CB -2.005 30.529 32.600 -0.109 0.000 2.925 297 M HN 1.280 nan 8.290 nan 0.000 0.297 298 H N -0.737 118.269 119.070 -0.107 0.000 2.352 298 H HA 0.176 4.732 4.556 0.001 0.000 0.299 298 H C 1.705 176.996 175.328 -0.061 0.000 1.097 298 H CA 2.069 58.078 56.048 -0.066 0.000 1.311 298 H CB -0.543 29.195 29.762 -0.040 0.000 1.377 298 H HN 0.497 nan 8.280 nan 0.000 0.504 299 A N 1.097 123.349 122.820 -0.947 0.000 2.119 299 A HA 0.008 4.328 4.320 0.001 0.000 0.217 299 A C 2.466 179.885 177.584 -0.276 0.000 1.153 299 A CA 1.019 52.668 52.037 -0.647 0.000 0.692 299 A CB -0.674 17.943 19.000 -0.638 0.000 0.799 299 A HN 0.366 nan 8.150 nan 0.000 0.458 300 V N -0.295 119.497 119.914 -0.204 0.000 2.490 300 V HA -0.231 3.890 4.120 0.001 0.000 0.250 300 V C 2.196 178.251 176.094 -0.064 0.000 1.061 300 V CA 2.107 64.341 62.300 -0.109 0.000 1.064 300 V CB -0.486 31.285 31.823 -0.087 0.000 0.670 300 V HN 0.618 nan 8.190 nan 0.000 0.461 301 I N 0.479 121.012 120.570 -0.062 0.000 3.081 301 I HA -0.003 4.167 4.170 0.001 0.000 0.274 301 I C 1.629 177.742 176.117 -0.006 0.000 1.178 301 I CA 1.074 62.361 61.300 -0.022 0.000 1.460 301 I CB 0.004 38.003 38.000 -0.002 0.000 1.137 301 I HN 0.465 nan 8.210 nan 0.000 0.443 302 D N -0.643 119.742 120.400 -0.026 0.000 2.469 302 D HA -0.016 4.625 4.640 0.001 0.000 0.213 302 D C 1.799 178.067 176.300 -0.054 0.000 1.135 302 D CA -0.095 53.896 54.000 -0.015 0.000 0.834 302 D CB 0.061 40.895 40.800 0.057 0.000 1.009 302 D HN -0.101 nan 8.370 nan 0.000 0.507 303 R N 0.309 120.771 120.500 -0.064 0.000 2.062 303 R HA 0.060 4.400 4.340 0.001 0.000 0.229 303 R C 0.480 176.781 176.300 0.001 0.000 1.128 303 R CA 1.136 57.204 56.100 -0.053 0.000 0.960 303 R CB -0.147 30.106 30.300 -0.078 0.000 0.855 303 R HN 0.064 nan 8.270 nan 0.000 0.432 304 Q N 0.502 120.319 119.800 0.028 0.000 2.293 304 Q HA 0.066 4.406 4.340 0.001 0.000 0.251 304 Q C 0.354 176.409 176.000 0.093 0.000 0.930 304 Q CA 0.089 55.930 55.803 0.063 0.000 0.893 304 Q CB 1.266 30.051 28.738 0.078 0.000 1.215 304 Q HN 0.247 nan 8.270 nan 0.000 0.425 305 R N 2.037 122.594 120.500 0.095 0.000 2.148 305 R HA -0.108 4.232 4.340 0.001 0.000 0.223 305 R C 1.227 177.597 176.300 0.117 0.000 1.088 305 R CA 1.386 57.553 56.100 0.112 0.000 0.985 305 R CB 0.329 30.687 30.300 0.096 0.000 0.880 305 R HN 0.647 nan 8.270 nan 0.000 0.451 306 N N -1.271 117.503 118.700 0.123 0.000 2.405 306 N HA -0.094 4.646 4.740 0.001 0.000 0.175 306 N C -0.310 175.324 175.510 0.205 0.000 1.051 306 N CA 0.572 53.704 53.050 0.136 0.000 0.899 306 N CB 0.146 38.703 38.487 0.117 0.000 1.000 306 N HN 0.221 nan 8.380 nan 0.000 0.451 307 H N -1.307 117.830 119.070 0.111 0.000 3.029 307 H HA 0.564 5.120 4.556 0.001 0.000 0.358 307 H C 0.114 175.537 175.328 0.158 0.000 1.129 307 H CA 0.434 56.577 56.048 0.159 0.000 1.230 307 H CB 1.475 31.316 29.762 0.132 0.000 1.827 307 H HN 0.341 nan 8.280 nan 0.000 0.530 308 G N 2.494 111.204 108.800 -0.150 0.000 2.295 308 G HA2 -0.035 3.925 3.960 0.001 0.000 0.195 308 G HA3 -0.035 3.925 3.960 0.001 0.000 0.195 308 G C -1.504 173.379 174.900 -0.027 0.000 1.269 308 G CA -0.317 44.735 45.100 -0.080 0.000 1.170 308 G HN 0.657 nan 8.290 nan 0.000 0.511 309 I N 0.897 121.451 120.570 -0.026 0.000 2.534 309 I HA 0.320 4.490 4.170 0.001 0.000 0.288 309 I C 0.144 176.307 176.117 0.077 0.000 1.077 309 I CA -0.866 60.435 61.300 0.003 0.000 1.051 309 I CB 1.981 39.941 38.000 -0.066 0.000 1.234 309 I HN 0.669 nan 8.210 nan 0.000 0.425 310 H N 4.858 123.946 119.070 0.030 0.000 2.897 310 H HA -0.021 4.536 4.556 0.001 0.000 0.347 310 H C 0.465 175.854 175.328 0.100 0.000 1.068 310 H CA 0.788 56.889 56.048 0.087 0.000 1.426 310 H CB 1.018 30.825 29.762 0.076 0.000 1.410 310 H HN 0.640 nan 8.280 nan 0.000 0.597 311 F N 5.433 125.274 119.950 -0.182 0.000 2.202 311 F HA -0.213 4.314 4.527 0.001 0.000 0.301 311 F C 2.600 178.366 175.800 -0.057 0.000 1.082 311 F CA 1.696 59.614 58.000 -0.135 0.000 1.313 311 F CB -0.121 38.661 39.000 -0.362 0.000 1.024 311 F HN 0.684 nan 8.300 nan 0.000 0.495 312 R N -0.219 120.373 120.500 0.153 0.000 2.139 312 R HA -0.144 4.196 4.340 0.001 0.000 0.243 312 R C 1.768 178.021 176.300 -0.079 0.000 1.145 312 R CA 2.025 58.120 56.100 -0.007 0.000 0.976 312 R CB -1.491 28.959 30.300 0.250 0.000 0.866 312 R HN 0.302 nan 8.270 nan 0.000 0.449 313 V N 1.815 121.727 119.914 -0.004 0.000 2.379 313 V HA -0.151 3.970 4.120 0.001 0.000 0.245 313 V C 2.470 178.599 176.094 0.058 0.000 1.044 313 V CA 1.456 63.767 62.300 0.018 0.000 1.036 313 V CB -0.380 31.440 31.823 -0.005 0.000 0.664 313 V HN 0.275 nan 8.190 nan 0.000 0.453 314 L N 0.219 121.438 121.223 -0.006 0.000 2.141 314 L HA -0.118 4.222 4.340 0.001 0.000 0.209 314 L C 2.721 179.505 176.870 -0.143 0.000 1.094 314 L CA 1.412 56.309 54.840 0.095 0.000 0.763 314 L CB -0.830 41.322 42.059 0.155 0.000 0.908 314 L HN 0.353 nan 8.230 nan 0.000 0.437 315 A N 0.277 122.710 122.820 -0.645 0.000 1.873 315 A HA -0.193 4.127 4.320 0.001 0.000 0.215 315 A C 2.366 179.831 177.584 -0.198 0.000 1.186 315 A CA 1.503 53.203 52.037 -0.563 0.000 0.616 315 A CB -0.307 18.251 19.000 -0.736 0.000 0.823 315 A HN 0.283 nan 8.150 nan 0.000 0.442 316 K N -0.317 120.056 120.400 -0.044 0.000 2.032 316 K HA -0.112 4.209 4.320 0.001 0.000 0.209 316 K C 2.342 178.995 176.600 0.088 0.000 1.048 316 K CA 1.182 57.570 56.287 0.169 0.000 0.927 316 K CB -0.368 32.263 32.500 0.218 0.000 0.712 316 K HN 0.441 nan 8.250 nan 0.000 0.441 317 A N 1.987 124.837 122.820 0.049 0.000 1.908 317 A HA -0.175 4.146 4.320 0.001 0.000 0.218 317 A C 2.069 179.627 177.584 -0.043 0.000 1.181 317 A CA 1.170 53.179 52.037 -0.048 0.000 0.627 317 A CB -0.620 18.344 19.000 -0.059 0.000 0.818 317 A HN 0.264 nan 8.150 nan 0.000 0.445 318 L N -0.389 120.830 121.223 -0.008 0.000 2.046 318 L HA -0.144 4.197 4.340 0.001 0.000 0.208 318 L C 2.477 179.220 176.870 -0.212 0.000 1.077 318 L CA 2.356 57.082 54.840 -0.190 0.000 0.747 318 L CB -0.881 40.813 42.059 -0.608 0.000 0.896 318 L HN 0.543 nan 8.230 nan 0.000 0.432 319 R N -0.583 119.778 120.500 -0.232 0.000 2.091 319 R HA -0.210 4.131 4.340 0.001 0.000 0.238 319 R C 2.313 178.472 176.300 -0.236 0.000 1.136 319 R CA 2.023 57.939 56.100 -0.307 0.000 0.959 319 R CB -0.135 29.831 30.300 -0.557 0.000 0.856 319 R HN 0.358 nan 8.270 nan 0.000 0.437 320 M N -1.025 118.448 119.600 -0.210 0.000 2.156 320 M HA -0.108 4.372 4.480 0.001 0.000 0.264 320 M C 2.473 178.685 176.300 -0.146 0.000 1.067 320 M CA 1.650 56.745 55.300 -0.342 0.000 1.131 320 M CB -0.070 32.047 32.600 -0.805 0.000 1.368 320 M HN 0.145 nan 8.290 nan 0.000 0.416 321 S N -0.300 115.353 115.700 -0.077 0.000 2.383 321 S HA 0.084 4.555 4.470 0.001 0.000 0.227 321 S C 0.819 175.447 174.600 0.046 0.000 1.026 321 S CA 1.194 59.439 58.200 0.075 0.000 0.981 321 S CB -0.310 63.000 63.200 0.184 0.000 0.818 321 S HN 0.642 nan 8.310 nan 0.000 0.472 322 G N -1.489 107.290 108.800 -0.035 0.000 3.088 322 G HA2 0.421 4.382 3.960 0.001 0.000 0.620 322 G HA3 0.421 4.382 3.960 0.001 0.000 0.620 322 G C -0.339 174.499 174.900 -0.103 0.000 1.375 322 G CA -0.457 44.604 45.100 -0.065 0.000 1.016 322 G HN 1.029 nan 8.290 nan 0.000 0.590 323 G N 0.666 109.384 108.800 -0.137 0.000 2.733 323 G HA2 0.599 4.559 3.960 0.001 0.000 0.297 323 G HA3 0.599 4.559 3.960 0.001 0.000 0.297 323 G C -0.043 174.780 174.900 -0.129 0.000 1.452 323 G CA 0.181 45.191 45.100 -0.151 0.000 0.940 323 G HN 0.338 nan 8.290 nan 0.000 0.547 324 D N -0.123 120.210 120.400 -0.112 0.000 2.183 324 D HA 0.041 4.681 4.640 0.001 0.000 0.205 324 D C 0.396 176.741 176.300 0.074 0.000 0.962 324 D CA 1.177 55.153 54.000 -0.040 0.000 0.849 324 D CB 0.278 41.047 40.800 -0.053 0.000 0.978 324 D HN 0.571 nan 8.370 nan 0.000 0.488 325 H N -0.864 118.063 119.070 -0.238 0.000 2.679 325 H HA 0.554 5.110 4.556 0.001 0.000 0.367 325 H C -1.050 174.057 175.328 -0.367 0.000 1.162 325 H CA -1.070 54.799 56.048 -0.298 0.000 1.181 325 H CB 2.676 32.204 29.762 -0.391 0.000 1.693 325 H HN -0.120 nan 8.280 nan 0.000 0.538 326 L N 1.828 122.954 121.223 -0.160 0.000 2.505 326 L HA 0.208 4.548 4.340 0.001 0.000 0.266 326 L C -0.932 175.904 176.870 -0.058 0.000 0.954 326 L CA -0.368 54.384 54.840 -0.146 0.000 0.852 326 L CB 1.515 43.498 42.059 -0.127 0.000 1.282 326 L HN 0.715 nan 8.230 nan 0.000 0.403 327 H N 2.732 121.672 119.070 -0.217 0.000 2.928 327 H HA 0.193 4.750 4.556 0.000 0.000 0.338 327 H C 0.254 175.479 175.328 -0.171 0.000 1.047 327 H CA 0.857 56.776 56.048 -0.216 0.000 1.435 327 H CB 1.000 30.565 29.762 -0.328 0.000 1.428 327 H HN 0.784 nan 8.280 nan 0.000 0.590 328 S N 1.661 117.345 115.700 -0.026 0.000 2.733 328 S HA 0.300 4.770 4.470 0.001 0.000 0.247 328 S C 0.946 175.653 174.600 0.179 0.000 1.043 328 S CA 0.040 58.353 58.200 0.189 0.000 1.066 328 S CB 1.158 64.552 63.200 0.323 0.000 1.045 328 S HN 1.086 nan 8.310 nan 0.000 0.586 329 G N 1.394 110.187 108.800 -0.012 0.000 2.756 329 G HA2 -0.100 3.860 3.960 0.001 0.000 0.678 329 G HA3 -0.100 3.860 3.960 0.001 0.000 0.678 329 G C 0.267 175.226 174.900 0.099 0.000 1.349 329 G CA 0.164 45.277 45.100 0.022 0.000 0.847 329 G HN 1.022 nan 8.290 nan 0.000 0.548 330 T N -3.176 111.413 114.554 0.058 0.000 2.975 330 T HA 0.460 4.810 4.350 0.001 0.000 0.257 330 T C 1.800 176.550 174.700 0.084 0.000 1.003 330 T CA 1.255 63.405 62.100 0.083 0.000 0.932 330 T CB 0.471 69.279 68.868 -0.100 0.000 1.087 330 T HN 2.284 nan 8.240 nan 0.000 0.512 331 V N 0.855 120.794 119.914 0.042 0.000 0.481 331 V HA -0.335 3.785 4.120 0.001 0.000 0.092 331 V C 2.026 178.118 176.094 -0.005 0.000 2.400 331 V CA 2.007 64.312 62.300 0.008 0.000 3.646 331 V CB -1.957 29.846 31.823 -0.034 0.000 0.927 331 V HN 0.715 nan 8.190 nan 0.000 0.973 332 V N -1.188 118.696 119.914 -0.050 0.000 3.647 332 V HA 0.697 4.818 4.120 0.001 0.000 0.279 332 V C 1.225 177.226 176.094 -0.155 0.000 1.314 332 V CA 1.171 63.428 62.300 -0.072 0.000 1.125 332 V CB -0.034 31.731 31.823 -0.097 0.000 0.907 332 V HN 0.899 nan 8.190 nan 0.000 0.434 333 G N 1.338 110.006 108.800 -0.221 0.000 2.543 333 G HA2 0.290 4.250 3.960 0.001 0.000 0.267 333 G HA3 0.290 4.250 3.960 0.001 0.000 0.267 333 G C 0.736 175.342 174.900 -0.491 0.000 1.406 333 G CA 0.023 44.915 45.100 -0.347 0.000 1.048 333 G HN 0.460 nan 8.290 nan 0.000 0.548 334 K N -1.190 118.674 120.400 -0.893 0.000 2.366 334 K HA 0.126 4.446 4.320 0.001 0.000 0.198 334 K C 0.149 176.523 176.600 -0.378 0.000 1.044 334 K CA 0.417 56.126 56.287 -0.964 0.000 0.973 334 K CB -0.262 31.657 32.500 -0.968 0.000 0.767 334 K HN 0.184 nan 8.250 nan 0.000 0.475 335 L N 1.703 122.772 121.223 -0.256 0.000 2.334 335 L HA 0.317 4.658 4.340 0.001 0.000 0.273 335 L C -0.026 176.797 176.870 -0.078 0.000 1.013 335 L CA -0.967 53.786 54.840 -0.144 0.000 0.816 335 L CB 1.759 43.755 42.059 -0.103 0.000 1.278 335 L HN 0.074 nan 8.230 nan 0.000 0.431 336 E N 0.743 120.914 120.200 -0.049 0.000 2.392 336 E HA 0.462 4.813 4.350 0.001 0.000 0.264 336 E C -0.337 176.284 176.600 0.036 0.000 1.024 336 E CA 0.034 56.434 56.400 0.001 0.000 0.903 336 E CB 0.748 30.446 29.700 -0.003 0.000 0.963 336 E HN 0.765 nan 8.360 nan 0.000 0.432 337 G N 4.030 112.869 108.800 0.064 0.000 1.885 337 G HA2 -0.018 3.943 3.960 0.001 0.000 0.309 337 G HA3 -0.018 3.943 3.960 0.001 0.000 0.309 337 G C -1.124 173.825 174.900 0.081 0.000 1.751 337 G CA -0.728 44.435 45.100 0.106 0.000 0.949 337 G HN 0.462 nan 8.290 nan 0.000 0.564 338 E N 2.283 122.540 120.200 0.096 0.000 2.373 338 E HA 0.173 4.523 4.350 0.001 0.000 0.267 338 E C 1.416 178.020 176.600 0.008 0.000 1.032 338 E CA -0.618 55.818 56.400 0.060 0.000 0.889 338 E CB 1.111 30.858 29.700 0.078 0.000 0.984 338 E HN 0.572 nan 8.360 nan 0.000 0.425 339 R N 3.015 123.500 120.500 -0.025 0.000 2.097 339 R HA -0.194 4.146 4.340 0.001 0.000 0.236 339 R C 1.455 177.689 176.300 -0.109 0.000 1.135 339 R CA 1.800 57.850 56.100 -0.084 0.000 0.934 339 R CB 0.045 30.304 30.300 -0.068 0.000 0.846 339 R HN 0.506 nan 8.270 nan 0.000 0.431 340 E N 0.024 120.186 120.200 -0.064 0.000 2.110 340 E HA -0.124 4.226 4.350 0.001 0.000 0.193 340 E C 2.103 178.659 176.600 -0.073 0.000 0.988 340 E CA 1.001 57.362 56.400 -0.066 0.000 0.804 340 E CB -0.229 29.450 29.700 -0.035 0.000 0.745 340 E HN 0.228 nan 8.360 nan 0.000 0.458 341 V N 1.166 121.064 119.914 -0.026 0.000 2.307 341 V HA -0.221 3.900 4.120 0.001 0.000 0.245 341 V C 2.351 178.311 176.094 -0.224 0.000 1.045 341 V CA 2.104 64.429 62.300 0.041 0.000 1.024 341 V CB -0.799 31.171 31.823 0.244 0.000 0.651 341 V HN 0.271 nan 8.190 nan 0.000 0.449 342 T N 0.461 114.780 114.554 -0.393 0.000 2.708 342 T HA -0.139 4.211 4.350 0.001 0.000 0.266 342 T C 1.902 176.144 174.700 -0.764 0.000 1.037 342 T CA 1.523 63.059 62.100 -0.940 0.000 1.146 342 T CB -0.330 68.291 68.868 -0.412 0.000 0.865 342 T HN 0.278 nan 8.240 nan 0.000 0.435 343 L N 0.622 121.605 121.223 -0.401 0.000 2.079 343 L HA -0.069 4.272 4.340 0.001 0.000 0.210 343 L C 2.929 179.685 176.870 -0.191 0.000 1.081 343 L CA 1.326 56.004 54.840 -0.269 0.000 0.752 343 L CB -0.915 41.031 42.059 -0.188 0.000 0.896 343 L HN 0.366 nan 8.230 nan 0.000 0.433 344 G N 0.727 109.423 108.800 -0.173 0.000 2.404 344 G HA2 -0.299 3.662 3.960 0.001 0.000 0.215 344 G HA3 -0.299 3.662 3.960 0.001 0.000 0.215 344 G C 1.292 176.226 174.900 0.058 0.000 1.174 344 G CA 0.896 45.973 45.100 -0.039 0.000 0.780 344 G HN 0.480 nan 8.290 nan 0.000 0.537 345 F N 0.615 120.640 119.950 0.125 0.000 2.456 345 F HA 0.274 4.801 4.527 0.000 0.000 0.298 345 F C 2.130 178.007 175.800 0.128 0.000 1.104 345 F CA -0.139 57.946 58.000 0.141 0.000 1.435 345 F CB -0.817 38.299 39.000 0.193 0.000 1.078 345 F HN -0.019 nan 8.300 nan 0.000 0.546 346 V N 1.393 121.378 119.914 0.118 0.000 2.343 346 V HA -0.256 3.865 4.120 0.001 0.000 0.247 346 V C 2.145 178.311 176.094 0.121 0.000 1.051 346 V CA 2.317 64.716 62.300 0.163 0.000 1.036 346 V CB -0.682 31.196 31.823 0.090 0.000 0.654 346 V HN 0.237 nan 8.190 nan 0.000 0.451 347 D N 0.116 120.565 120.400 0.082 0.000 2.123 347 D HA -0.139 4.501 4.640 0.001 0.000 0.196 347 D C 2.090 178.471 176.300 0.135 0.000 0.992 347 D CA 1.245 55.300 54.000 0.092 0.000 0.833 347 D CB -0.263 40.582 40.800 0.075 0.000 0.954 347 D HN 0.346 nan 8.370 nan 0.000 0.455 348 L N -0.201 121.136 121.223 0.191 0.000 2.201 348 L HA -0.086 4.255 4.340 0.001 0.000 0.212 348 L C 2.484 179.426 176.870 0.120 0.000 1.105 348 L CA 0.638 55.646 54.840 0.280 0.000 0.775 348 L CB -0.234 42.016 42.059 0.318 0.000 0.913 348 L HN 0.035 nan 8.230 nan 0.000 0.440 349 M N -1.241 118.393 119.600 0.057 0.000 2.236 349 M HA -0.116 4.365 4.480 0.001 0.000 0.266 349 M C 2.286 178.481 176.300 -0.176 0.000 1.070 349 M CA 1.645 56.891 55.300 -0.089 0.000 1.137 349 M CB -0.070 32.547 32.600 0.029 0.000 1.378 349 M HN 0.115 nan 8.290 nan 0.000 0.426 350 R N -0.610 119.849 120.500 -0.069 0.000 2.175 350 R HA 0.087 4.428 4.340 0.001 0.000 0.202 350 R C -0.067 176.202 176.300 -0.053 0.000 1.018 350 R CA 0.277 56.342 56.100 -0.058 0.000 1.029 350 R CB 0.303 30.610 30.300 0.010 0.000 0.959 350 R HN 0.245 nan 8.270 nan 0.000 0.480 351 D N 0.037 120.437 120.400 -0.000 0.000 2.340 351 D HA 0.004 4.645 4.640 0.001 0.000 0.251 351 D C 0.286 176.667 176.300 0.134 0.000 1.080 351 D CA -0.073 53.975 54.000 0.080 0.000 0.971 351 D CB 1.251 42.130 40.800 0.132 0.000 1.137 351 D HN -0.114 nan 8.370 nan 0.000 0.475 352 D N -1.003 119.512 120.400 0.191 0.000 2.213 352 D HA -0.090 4.551 4.640 0.001 0.000 0.205 352 D C -0.641 175.908 176.300 0.414 0.000 0.961 352 D CA 0.631 54.800 54.000 0.282 0.000 0.853 352 D CB 0.248 41.172 40.800 0.207 0.000 0.967 352 D HN 0.307 nan 8.370 nan 0.000 0.496 353 Y N -0.117 120.300 120.300 0.194 0.000 2.361 353 Y HA 0.445 4.995 4.550 0.001 0.000 0.328 353 Y C -1.654 174.325 175.900 0.131 0.000 1.044 353 Y CA -0.964 57.222 58.100 0.143 0.000 1.085 353 Y CB 1.626 40.138 38.460 0.087 0.000 1.194 353 Y HN -0.322 nan 8.280 nan 0.000 0.438 354 V N 5.831 125.646 119.914 -0.165 0.000 2.443 354 V HA 0.333 4.453 4.120 0.001 0.000 0.293 354 V C -0.401 175.588 176.094 -0.175 0.000 1.021 354 V CA -1.056 61.214 62.300 -0.051 0.000 0.848 354 V CB 1.464 33.325 31.823 0.063 0.000 0.998 354 V HN 0.683 nan 8.190 nan 0.000 0.424 355 E N 2.767 122.941 120.200 -0.044 0.000 2.383 355 E HA 0.133 4.483 4.350 0.001 0.000 0.264 355 E C 0.075 176.667 176.600 -0.013 0.000 1.050 355 E CA -0.448 55.941 56.400 -0.018 0.000 0.896 355 E CB 1.166 30.910 29.700 0.074 0.000 0.982 355 E HN 0.524 nan 8.360 nan 0.000 0.424 356 K N 2.085 122.481 120.400 -0.007 0.000 2.530 356 K HA -0.152 4.169 4.320 0.001 0.000 0.280 356 K C -0.608 175.975 176.600 -0.029 0.000 1.004 356 K CA 0.807 57.088 56.287 -0.011 0.000 1.071 356 K CB 0.253 32.751 32.500 -0.004 0.000 0.876 356 K HN 0.344 nan 8.250 nan 0.000 0.487 357 D N 3.980 124.344 120.400 -0.059 0.000 2.362 357 D HA 0.136 4.776 4.640 0.001 0.000 0.232 357 D C 0.278 176.506 176.300 -0.121 0.000 1.329 357 D CA -0.465 53.494 54.000 -0.069 0.000 0.944 357 D CB 0.550 41.329 40.800 -0.035 0.000 1.471 357 D HN 0.460 nan 8.370 nan 0.000 0.533 358 R N 0.736 121.133 120.500 -0.171 0.000 2.148 358 R HA -0.059 4.281 4.340 0.001 0.000 0.227 358 R C 1.825 178.016 176.300 -0.182 0.000 1.103 358 R CA 1.174 57.114 56.100 -0.266 0.000 0.983 358 R CB -0.560 29.566 30.300 -0.290 0.000 0.874 358 R HN 0.496 nan 8.270 nan 0.000 0.451 359 S N 0.214 115.847 115.700 -0.112 0.000 2.507 359 S HA -0.019 4.452 4.470 0.001 0.000 0.235 359 S C 1.454 176.018 174.600 -0.060 0.000 0.988 359 S CA 0.552 58.707 58.200 -0.075 0.000 0.944 359 S CB 0.041 63.209 63.200 -0.054 0.000 0.762 359 S HN 0.220 nan 8.310 nan 0.000 0.526 360 R N 0.102 120.563 120.500 -0.065 0.000 2.543 360 R HA 0.290 4.630 4.340 0.001 0.000 0.323 360 R C 1.210 177.491 176.300 -0.031 0.000 1.002 360 R CA 0.366 56.440 56.100 -0.044 0.000 1.106 360 R CB 0.370 30.647 30.300 -0.039 0.000 1.280 360 R HN 0.538 nan 8.270 nan 0.000 0.549 361 G N 1.860 110.618 108.800 -0.070 0.000 2.148 361 G HA2 -0.274 3.686 3.960 0.001 0.000 0.254 361 G HA3 -0.274 3.686 3.960 0.001 0.000 0.254 361 G C 0.172 175.079 174.900 0.011 0.000 0.981 361 G CA -0.052 45.016 45.100 -0.053 0.000 0.670 361 G HN 0.286 nan 8.290 nan 0.000 0.528 362 I N 0.908 121.456 120.570 -0.035 0.000 2.291 362 I HA 0.322 4.492 4.170 0.001 0.000 0.292 362 I C 1.306 177.393 176.117 -0.050 0.000 1.064 362 I CA -0.886 60.434 61.300 0.033 0.000 1.269 362 I CB 0.432 38.450 38.000 0.030 0.000 1.418 362 I HN 0.064 nan 8.210 nan 0.000 0.485 363 Y N 5.212 125.399 120.300 -0.188 0.000 2.457 363 Y HA 0.136 4.687 4.550 0.000 0.000 0.292 363 Y C 0.298 175.873 175.900 -0.541 0.000 1.125 363 Y CA 0.530 58.388 58.100 -0.403 0.000 1.254 363 Y CB -0.072 38.005 38.460 -0.638 0.000 1.012 363 Y HN 0.301 nan 8.280 nan 0.000 0.555 364 F N -1.577 118.470 119.950 0.162 0.000 2.565 364 F HA 0.364 4.892 4.527 0.001 0.000 0.313 364 F C 0.307 176.092 175.800 -0.026 0.000 1.091 364 F CA -1.800 56.242 58.000 0.071 0.000 0.915 364 F CB 1.011 40.043 39.000 0.053 0.000 1.208 364 F HN -0.492 nan 8.300 nan 0.000 0.453 365 T N 2.118 116.754 114.554 0.136 0.000 2.867 365 T HA 0.168 4.519 4.350 0.001 0.000 0.297 365 T C -0.338 174.268 174.700 -0.156 0.000 0.989 365 T CA 0.205 62.267 62.100 -0.064 0.000 1.159 365 T CB 0.287 69.108 68.868 -0.079 0.000 0.928 365 T HN 0.452 nan 8.240 nan 0.000 0.538 366 Q N 2.889 122.512 119.800 -0.295 0.000 2.333 366 Q HA 0.364 4.704 4.340 0.001 0.000 0.268 366 Q C -1.442 174.235 176.000 -0.538 0.000 1.007 366 Q CA -0.705 54.859 55.803 -0.399 0.000 0.810 366 Q CB 1.309 29.844 28.738 -0.338 0.000 1.264 366 Q HN 0.477 nan 8.270 nan 0.000 0.452 367 D N 3.836 123.952 120.400 -0.473 0.000 2.381 367 D HA 0.287 4.928 4.640 0.001 0.000 0.235 367 D C -1.194 174.977 176.300 -0.215 0.000 1.068 367 D CA -0.223 53.653 54.000 -0.208 0.000 0.832 367 D CB 0.465 41.270 40.800 0.009 0.000 1.101 367 D HN 0.476 nan 8.370 nan 0.000 0.515 371 M N 3.895 123.574 119.600 0.132 0.000 2.252 371 M HA 0.193 4.673 4.480 0.001 0.000 0.348 371 M C -2.609 173.677 176.300 -0.023 0.000 1.334 371 M CA -0.827 54.514 55.300 0.069 0.000 1.071 371 M CB 0.247 32.923 32.600 0.127 0.000 1.763 371 M HN -0.154 nan 8.290 nan 0.000 0.452 372 P HA 0.094 nan 4.420 nan 0.000 0.266 372 P C -0.482 176.726 177.300 -0.153 0.000 1.195 372 P CA -0.014 63.044 63.100 -0.068 0.000 0.768 372 P CB 0.326 31.997 31.700 -0.049 0.000 0.838 373 G N 1.584 110.308 108.800 -0.127 0.000 2.467 373 G HA2 0.393 4.353 3.960 0.001 0.000 0.257 373 G HA3 0.393 4.353 3.960 0.001 0.000 0.257 373 G C -0.583 174.236 174.900 -0.136 0.000 1.227 373 G CA -0.400 44.596 45.100 -0.173 0.000 0.835 373 G HN 0.356 nan 8.290 nan 0.000 0.556 374 V N 2.928 122.740 119.914 -0.169 0.000 2.465 374 V HA 0.280 4.400 4.120 0.001 0.000 0.279 374 V C 0.524 176.573 176.094 -0.076 0.000 1.045 374 V CA -0.656 61.572 62.300 -0.120 0.000 0.938 374 V CB 1.444 33.166 31.823 -0.169 0.000 0.986 374 V HN 0.833 nan 8.190 nan 0.000 0.467 375 M N 9.360 128.928 119.600 -0.054 0.000 2.194 375 M HA 0.325 4.806 4.480 0.001 0.000 0.347 375 M C -2.319 173.887 176.300 -0.157 0.000 1.439 375 M CA -1.142 54.093 55.300 -0.108 0.000 1.131 375 M CB 0.788 33.283 32.600 -0.176 0.000 1.733 375 M HN 0.377 nan 8.290 nan 0.000 0.467 376 P HA 0.102 nan 4.420 nan 0.000 0.271 376 P C -1.279 175.830 177.300 -0.320 0.000 1.216 376 P CA -0.226 62.793 63.100 -0.136 0.000 0.776 376 P CB 0.713 32.403 31.700 -0.016 0.000 0.881 377 V N 2.928 122.633 119.914 -0.349 0.000 2.378 377 V HA 0.498 4.618 4.120 0.001 0.000 0.288 377 V C 0.429 176.199 176.094 -0.540 0.000 1.016 377 V CA -0.832 61.188 62.300 -0.466 0.000 0.840 377 V CB 1.258 32.782 31.823 -0.498 0.000 0.994 377 V HN 0.684 nan 8.190 nan 0.000 0.431 378 A N 3.873 126.335 122.820 -0.598 0.000 2.260 378 A HA 0.830 5.150 4.320 0.001 0.000 0.308 378 A C 0.064 177.391 177.584 -0.428 0.000 1.254 378 A CA -0.219 51.504 52.037 -0.524 0.000 0.874 378 A CB 0.958 19.559 19.000 -0.665 0.000 1.153 378 A HN 0.930 nan 8.150 nan 0.000 0.527 379 S N 1.775 117.279 115.700 -0.325 0.000 2.535 379 S HA 0.715 5.185 4.470 0.001 0.000 0.272 379 S C -0.521 173.970 174.600 -0.182 0.000 1.149 379 S CA 0.443 58.477 58.200 -0.275 0.000 0.888 379 S CB 1.205 64.282 63.200 -0.205 0.000 1.110 379 S HN 2.591 nan 8.310 nan 0.000 0.463 380 G N 1.723 110.406 108.800 -0.195 0.000 2.491 380 G HA2 0.451 4.412 3.960 0.001 0.000 0.508 380 G HA3 0.451 4.412 3.960 0.001 0.000 0.508 380 G C 0.869 175.612 174.900 -0.263 0.000 1.143 380 G CA 0.348 45.343 45.100 -0.175 0.000 1.277 380 G HN 2.207 nan 8.290 nan 0.000 0.599 381 G N 0.076 108.747 108.800 -0.215 0.000 2.198 381 G HA2 0.005 3.965 3.960 0.001 0.000 0.257 381 G HA3 0.005 3.965 3.960 0.001 0.000 0.257 381 G C 0.529 175.385 174.900 -0.074 0.000 1.042 381 G CA 0.864 45.837 45.100 -0.212 0.000 0.791 381 G HN 2.257 nan 8.290 nan 0.000 0.502 382 I N -2.080 118.432 120.570 -0.097 0.000 2.607 382 I HA 0.968 5.139 4.170 0.001 0.000 0.305 382 I C 0.213 176.509 176.117 0.298 0.000 0.995 382 I CA -1.427 59.898 61.300 0.041 0.000 1.148 382 I CB 1.675 39.545 38.000 -0.216 0.000 1.323 382 I HN 0.333 nan 8.210 nan 0.000 0.461 383 H N 1.458 120.864 119.070 0.560 0.000 2.943 383 H HA 0.468 5.025 4.556 0.001 0.000 0.323 383 H C 0.679 176.125 175.328 0.196 0.000 1.296 383 H CA -0.453 55.704 56.048 0.182 0.000 1.155 383 H CB 0.543 30.123 29.762 -0.303 0.000 1.882 383 H HN 0.370 nan 8.280 nan 0.000 0.553 384 V N -2.773 117.267 119.914 0.210 0.000 2.370 384 V HA -0.278 3.842 4.120 0.001 0.000 0.252 384 V C 1.418 177.518 176.094 0.010 0.000 1.068 384 V CA 1.942 64.233 62.300 -0.015 0.000 1.061 384 V CB -1.305 30.413 31.823 -0.175 0.000 0.656 384 V HN 0.798 nan 8.190 nan 0.000 0.455 385 W N -0.225 121.217 121.300 0.235 0.000 2.421 385 W HA -0.022 4.639 4.660 0.001 0.000 0.270 385 W C 2.645 179.147 176.519 -0.029 0.000 1.233 385 W CA 1.242 58.635 57.345 0.081 0.000 1.226 385 W CB -0.484 29.047 29.460 0.118 0.000 1.121 385 W HN 0.368 nan 8.180 nan 0.000 0.579 386 H N -0.864 118.340 119.070 0.223 0.000 2.529 386 H HA -0.022 4.534 4.556 0.000 0.000 0.277 386 H C 1.909 177.334 175.328 0.162 0.000 0.999 386 H CA 1.104 57.231 56.048 0.132 0.000 1.256 386 H CB -0.486 29.291 29.762 0.025 0.000 1.402 386 H HN 0.174 nan 8.280 nan 0.000 0.566 387 M N 1.471 121.232 119.600 0.269 0.000 2.088 387 M HA -0.111 4.369 4.480 0.001 0.000 0.256 387 M C -0.916 175.487 176.300 0.172 0.000 1.071 387 M CA 1.840 57.268 55.300 0.214 0.000 1.097 387 M CB -0.960 31.709 32.600 0.114 0.000 1.315 387 M HN 0.077 nan 8.290 nan 0.000 0.406 388 P HA -0.075 nan 4.420 nan 0.000 0.215 388 P C 1.126 178.499 177.300 0.121 0.000 1.153 388 P CA 2.223 65.395 63.100 0.120 0.000 0.853 388 P CB -0.373 31.399 31.700 0.120 0.000 0.788 389 A N -0.676 122.230 122.820 0.144 0.000 1.933 389 A HA -0.159 4.162 4.320 0.001 0.000 0.218 389 A C 2.204 179.852 177.584 0.107 0.000 1.175 389 A CA 1.463 53.567 52.037 0.113 0.000 0.628 389 A CB -1.669 17.410 19.000 0.132 0.000 0.814 389 A HN 0.115 nan 8.150 nan 0.000 0.444 390 L N -0.676 120.652 121.223 0.176 0.000 2.056 390 L HA -0.135 4.205 4.340 0.001 0.000 0.207 390 L C 2.486 179.515 176.870 0.265 0.000 1.078 390 L CA 0.953 55.951 54.840 0.262 0.000 0.749 390 L CB -0.589 41.633 42.059 0.271 0.000 0.901 390 L HN 0.227 nan 8.230 nan 0.000 0.433 391 V N -0.424 119.598 119.914 0.180 0.000 2.343 391 V HA -0.252 3.869 4.120 0.001 0.000 0.247 391 V C 2.584 178.735 176.094 0.095 0.000 1.051 391 V CA 1.707 64.091 62.300 0.141 0.000 1.036 391 V CB -0.508 31.378 31.823 0.105 0.000 0.654 391 V HN 0.469 nan 8.190 nan 0.000 0.451 392 E N 0.261 120.498 120.200 0.062 0.000 2.058 392 E HA -0.229 4.121 4.350 0.001 0.000 0.194 392 E C 2.184 178.758 176.600 -0.044 0.000 0.997 392 E CA 1.862 58.272 56.400 0.016 0.000 0.801 392 E CB -0.155 29.552 29.700 0.012 0.000 0.746 392 E HN 0.601 nan 8.360 nan 0.000 0.450 393 I N -0.359 120.142 120.570 -0.116 0.000 2.163 393 I HA -0.264 3.907 4.170 0.001 0.000 0.240 393 I C 2.061 177.941 176.117 -0.394 0.000 1.081 393 I CA 1.230 62.316 61.300 -0.357 0.000 1.353 393 I CB -0.212 37.403 38.000 -0.642 0.000 1.054 393 I HN 0.044 nan 8.210 nan 0.000 0.407 394 F N 0.327 120.270 119.950 -0.012 0.000 2.619 394 F HA 0.320 4.847 4.527 0.000 0.000 0.293 394 F C 1.637 177.436 175.800 -0.003 0.000 1.119 394 F CA 0.523 58.514 58.000 -0.015 0.000 1.445 394 F CB -0.768 38.220 39.000 -0.020 0.000 1.119 394 F HN 0.162 nan 8.300 nan 0.000 0.573 395 G N 0.801 109.695 108.800 0.157 0.000 2.645 395 G HA2 -0.308 3.652 3.960 0.001 0.000 0.246 395 G HA3 -0.308 3.652 3.960 0.001 0.000 0.246 395 G C 0.314 175.283 174.900 0.114 0.000 1.322 395 G CA 0.236 45.401 45.100 0.107 0.000 0.898 395 G HN 0.172 nan 8.290 nan 0.000 0.573 396 D N 0.534 120.983 120.400 0.083 0.000 2.183 396 D HA 0.074 4.715 4.640 0.001 0.000 0.203 396 D C 0.984 177.319 176.300 0.058 0.000 0.969 396 D CA 1.174 55.216 54.000 0.069 0.000 0.842 396 D CB -0.117 40.722 40.800 0.065 0.000 0.957 396 D HN 0.369 nan 8.370 nan 0.000 0.484 397 D N 0.868 121.305 120.400 0.061 0.000 2.608 397 D HA 0.460 5.100 4.640 0.001 0.000 0.224 397 D C -0.312 175.990 176.300 0.004 0.000 1.123 397 D CA 0.152 54.174 54.000 0.037 0.000 1.030 397 D CB 0.119 40.945 40.800 0.044 0.000 1.093 397 D HN 0.032 nan 8.370 nan 0.000 0.497 398 A N 0.207 123.002 122.820 -0.041 0.000 2.601 398 A HA 0.535 4.856 4.320 0.001 0.000 0.291 398 A C -1.333 176.153 177.584 -0.164 0.000 1.075 398 A CA -0.771 51.177 52.037 -0.148 0.000 0.671 398 A CB 1.511 20.404 19.000 -0.179 0.000 1.277 398 A HN 0.375 nan 8.150 nan 0.000 0.417 399 C N 1.818 120.964 119.300 -0.256 0.000 2.369 399 C HA 0.784 5.244 4.460 0.001 0.000 0.322 399 C C -1.025 173.839 174.990 -0.211 0.000 1.258 399 C CA -0.582 58.339 59.018 -0.162 0.000 1.487 399 C CB -0.697 26.956 27.740 -0.145 0.000 2.165 399 C HN 0.703 nan 8.230 nan 0.000 0.483 400 L N 6.095 127.254 121.223 -0.107 0.000 2.296 400 L HA 0.541 4.882 4.340 0.001 0.000 0.286 400 L C -0.128 176.638 176.870 -0.173 0.000 1.023 400 L CA -0.152 54.578 54.840 -0.182 0.000 0.812 400 L CB 1.294 43.351 42.059 -0.004 0.000 1.223 400 L HN 0.651 nan 8.230 nan 0.000 0.421 401 Q N 3.125 122.674 119.800 -0.419 0.000 2.333 401 Q HA 0.533 4.873 4.340 0.001 0.000 0.267 401 Q C -1.539 174.130 176.000 -0.551 0.000 1.012 401 Q CA -0.447 55.182 55.803 -0.290 0.000 0.824 401 Q CB 2.428 31.058 28.738 -0.179 0.000 1.290 401 Q HN 0.426 nan 8.270 nan 0.000 0.449 402 F N 1.138 121.068 119.950 -0.034 0.000 2.532 402 F HA 0.342 4.870 4.527 0.000 0.000 0.365 402 F C 0.910 176.695 175.800 -0.025 0.000 1.112 402 F CA -0.686 57.293 58.000 -0.036 0.000 1.082 402 F CB 1.229 40.211 39.000 -0.031 0.000 1.319 402 F HN 0.743 nan 8.300 nan 0.000 0.457 403 G N 1.626 110.473 108.800 0.079 0.000 2.654 403 G HA2 0.008 3.968 3.960 0.001 0.000 0.215 403 G HA3 0.008 3.968 3.960 0.001 0.000 0.215 403 G C 1.785 176.740 174.900 0.092 0.000 1.310 403 G CA 0.660 45.800 45.100 0.068 0.000 0.866 403 G HN 0.740 nan 8.290 nan 0.000 0.558 404 G N 0.729 109.575 108.800 0.076 0.000 2.469 404 G HA2 0.003 3.963 3.960 0.001 0.000 0.220 404 G HA3 0.003 3.963 3.960 0.001 0.000 0.220 404 G C 1.748 176.706 174.900 0.096 0.000 1.136 404 G CA 1.447 46.610 45.100 0.105 0.000 0.759 404 G HN 0.728 nan 8.290 nan 0.000 0.562 405 G N -0.683 108.116 108.800 -0.002 0.000 2.535 405 G HA2 0.036 3.997 3.960 0.001 0.000 0.218 405 G HA3 0.036 3.997 3.960 0.001 0.000 0.218 405 G C 1.565 176.554 174.900 0.150 0.000 1.122 405 G CA 1.715 46.742 45.100 -0.123 0.000 0.769 405 G HN 0.440 nan 8.290 nan 0.000 0.549 406 T N 0.037 114.712 114.554 0.202 0.000 3.114 406 T HA 0.124 4.475 4.350 0.001 0.000 0.240 406 T C 1.970 176.792 174.700 0.205 0.000 0.983 406 T CA -0.097 62.113 62.100 0.184 0.000 1.151 406 T CB 0.018 68.951 68.868 0.107 0.000 0.974 406 T HN 0.066 nan 8.240 nan 0.000 0.442 407 L N 1.419 122.743 121.223 0.168 0.000 2.610 407 L HA 0.295 4.636 4.340 0.001 0.000 0.232 407 L C 2.149 179.138 176.870 0.198 0.000 1.149 407 L CA 0.653 55.577 54.840 0.139 0.000 0.872 407 L CB -0.102 42.006 42.059 0.082 0.000 0.992 407 L HN 0.347 nan 8.230 nan 0.000 0.447 408 G N -3.068 105.925 108.800 0.321 0.000 3.126 408 G HA2 -0.057 3.903 3.960 0.001 0.000 0.224 408 G HA3 -0.057 3.903 3.960 0.001 0.000 0.224 408 G C 0.457 175.546 174.900 0.314 0.000 1.142 408 G CA -0.297 45.033 45.100 0.384 0.000 0.759 408 G HN 0.243 nan 8.290 nan 0.000 0.550 409 H N 2.083 121.276 119.070 0.206 0.000 2.886 409 H HA 0.091 4.648 4.556 0.001 0.000 0.329 409 H C -1.093 174.179 175.328 -0.093 0.000 1.044 409 H CA -1.162 54.856 56.048 -0.051 0.000 1.456 409 H CB 2.026 31.784 29.762 -0.007 0.000 1.464 409 H HN 0.007 nan 8.280 nan 0.000 0.573 410 P HA -0.144 nan 4.420 nan 0.000 0.221 410 P C 0.673 178.198 177.300 0.375 0.000 1.145 410 P CA 1.134 64.223 63.100 -0.018 0.000 0.795 410 P CB 0.075 31.677 31.700 -0.163 0.000 0.775 411 W N 0.133 121.615 121.300 0.302 0.000 3.220 411 W HA 0.518 5.178 4.660 0.000 0.000 0.328 411 W C 1.084 177.634 176.519 0.051 0.000 1.205 411 W CA 0.376 57.806 57.345 0.141 0.000 1.773 411 W CB -0.701 28.823 29.460 0.107 0.000 1.086 411 W HN 0.047 nan 8.180 nan 0.000 0.622 412 G N 0.942 109.896 108.800 0.257 0.000 2.566 412 G HA2 -0.277 3.684 3.960 0.001 0.000 0.599 412 G HA3 -0.277 3.684 3.960 0.001 0.000 0.599 412 G C 0.596 175.514 174.900 0.031 0.000 1.292 412 G CA -0.208 44.962 45.100 0.117 0.000 0.922 412 G HN -0.044 nan 8.290 nan 0.000 0.514 413 N N -0.044 118.655 118.700 -0.002 0.000 2.142 413 N HA 0.032 4.772 4.740 0.001 0.000 0.186 413 N C 2.701 178.151 175.510 -0.099 0.000 1.023 413 N CA 2.415 55.441 53.050 -0.039 0.000 0.852 413 N CB -0.644 37.815 38.487 -0.047 0.000 0.998 413 N HN 1.056 nan 8.380 nan 0.000 0.424 414 A N 1.524 124.276 122.820 -0.113 0.000 1.873 414 A HA -0.024 4.296 4.320 0.001 0.000 0.215 414 A C -0.191 177.304 177.584 -0.147 0.000 1.186 414 A CA 1.247 53.202 52.037 -0.137 0.000 0.616 414 A CB -1.500 17.416 19.000 -0.141 0.000 0.823 414 A HN 0.213 nan 8.150 nan 0.000 0.442 415 P HA -0.099 nan 4.420 nan 0.000 0.215 415 P C 1.774 178.732 177.300 -0.570 0.000 1.153 415 P CA 1.717 64.645 63.100 -0.287 0.000 0.853 415 P CB -0.381 31.212 31.700 -0.178 0.000 0.788 416 G N 0.250 108.698 108.800 -0.586 0.000 2.476 416 G HA2 -0.310 3.651 3.960 0.001 0.000 0.218 416 G HA3 -0.310 3.651 3.960 0.001 0.000 0.218 416 G C 1.679 176.478 174.900 -0.168 0.000 1.164 416 G CA 1.195 46.088 45.100 -0.344 0.000 0.768 416 G HN 0.341 nan 8.290 nan 0.000 0.560 417 A N 1.099 123.833 122.820 -0.144 0.000 1.877 417 A HA 0.281 4.601 4.320 0.001 0.000 0.216 417 A C 2.853 180.362 177.584 -0.124 0.000 1.186 417 A CA 2.350 54.319 52.037 -0.112 0.000 0.620 417 A CB -0.877 18.066 19.000 -0.095 0.000 0.822 417 A HN 0.871 nan 8.150 nan 0.000 0.443 418 A N -0.034 122.706 122.820 -0.133 0.000 1.908 418 A HA 0.112 4.432 4.320 0.001 0.000 0.218 418 A C 2.528 180.048 177.584 -0.107 0.000 1.181 418 A CA 2.285 54.260 52.037 -0.104 0.000 0.627 418 A CB -1.119 17.825 19.000 -0.094 0.000 0.818 418 A HN 1.114 nan 8.150 nan 0.000 0.445 419 A N 0.290 123.023 122.820 -0.145 0.000 1.883 419 A HA -0.269 4.052 4.320 0.001 0.000 0.217 419 A C 1.895 179.394 177.584 -0.143 0.000 1.186 419 A CA 2.005 53.972 52.037 -0.116 0.000 0.624 419 A CB -0.951 18.014 19.000 -0.059 0.000 0.822 419 A HN 0.716 nan 8.150 nan 0.000 0.444 420 N N -1.320 117.257 118.700 -0.205 0.000 2.166 420 N HA -0.163 4.578 4.740 0.001 0.000 0.186 420 N C 1.948 177.331 175.510 -0.212 0.000 1.019 420 N CA 1.400 54.242 53.050 -0.346 0.000 0.856 420 N CB -0.113 38.046 38.487 -0.548 0.000 0.993 420 N HN 0.494 nan 8.380 nan 0.000 0.426 421 R N 0.943 121.367 120.500 -0.127 0.000 2.075 421 R HA 0.062 4.403 4.340 0.001 0.000 0.226 421 R C 1.732 178.011 176.300 -0.035 0.000 1.114 421 R CA 0.868 56.927 56.100 -0.068 0.000 0.972 421 R CB -0.700 29.569 30.300 -0.052 0.000 0.869 421 R HN -0.037 nan 8.270 nan 0.000 0.437 422 V N 1.224 121.129 119.914 -0.016 0.000 2.287 422 V HA -0.266 3.854 4.120 0.001 0.000 0.248 422 V C 2.368 178.462 176.094 0.000 0.000 1.053 422 V CA 2.114 64.438 62.300 0.040 0.000 1.027 422 V CB -1.005 30.883 31.823 0.108 0.000 0.646 422 V HN 0.567 nan 8.190 nan 0.000 0.447 423 A N -0.303 122.485 122.820 -0.052 0.000 1.902 423 A HA -0.206 4.114 4.320 0.001 0.000 0.217 423 A C 2.170 179.732 177.584 -0.037 0.000 1.181 423 A CA 2.192 54.188 52.037 -0.070 0.000 0.623 423 A CB -0.572 18.350 19.000 -0.131 0.000 0.818 423 A HN 0.503 nan 8.150 nan 0.000 0.443 424 L N -0.134 121.069 121.223 -0.034 0.000 2.056 424 L HA -0.112 4.228 4.340 0.001 0.000 0.207 424 L C 2.139 179.013 176.870 0.007 0.000 1.078 424 L CA 2.392 57.236 54.840 0.006 0.000 0.749 424 L CB -0.552 41.518 42.059 0.018 0.000 0.901 424 L HN 0.489 nan 8.230 nan 0.000 0.433 425 E N -0.126 120.072 120.200 -0.005 0.000 2.072 425 E HA -0.190 4.160 4.350 0.001 0.000 0.191 425 E C 2.186 178.773 176.600 -0.021 0.000 0.985 425 E CA 1.015 57.410 56.400 -0.008 0.000 0.801 425 E CB -0.295 29.399 29.700 -0.010 0.000 0.750 425 E HN 0.684 nan 8.360 nan 0.000 0.452 426 A N 1.061 123.865 122.820 -0.026 0.000 1.883 426 A HA -0.230 4.091 4.320 0.001 0.000 0.217 426 A C 2.482 180.055 177.584 -0.020 0.000 1.186 426 A CA 1.460 53.474 52.037 -0.039 0.000 0.624 426 A CB -1.000 17.979 19.000 -0.035 0.000 0.822 426 A HN 0.369 nan 8.150 nan 0.000 0.444 427 C N -1.166 118.133 119.300 -0.001 0.000 2.425 427 C HA -0.070 4.390 4.460 0.001 0.000 0.277 427 C C 3.052 178.054 174.990 0.019 0.000 1.280 427 C CA 1.522 60.551 59.018 0.018 0.000 1.744 427 C CB -1.536 26.227 27.740 0.038 0.000 1.989 427 C HN 0.666 nan 8.230 nan 0.000 0.491 428 T N -0.017 114.547 114.554 0.016 0.000 2.701 428 T HA -0.227 4.123 4.350 0.001 0.000 0.263 428 T C 1.860 176.564 174.700 0.006 0.000 1.040 428 T CA 1.585 63.696 62.100 0.018 0.000 1.147 428 T CB -0.408 68.472 68.868 0.020 0.000 0.865 428 T HN 0.651 nan 8.240 nan 0.000 0.426 429 Q N 0.769 120.564 119.800 -0.009 0.000 2.045 429 Q HA -0.213 4.127 4.340 0.001 0.000 0.206 429 Q C 2.498 178.489 176.000 -0.016 0.000 0.991 429 Q CA 1.921 57.712 55.803 -0.020 0.000 0.851 429 Q CB -0.382 28.329 28.738 -0.045 0.000 0.911 429 Q HN 0.526 nan 8.270 nan 0.000 0.418 430 A N 1.235 124.047 122.820 -0.013 0.000 1.892 430 A HA -0.250 4.070 4.320 0.001 0.000 0.218 430 A C 2.167 179.752 177.584 0.003 0.000 1.188 430 A CA 1.701 53.734 52.037 -0.006 0.000 0.631 430 A CB -0.826 18.174 19.000 0.001 0.000 0.822 430 A HN 0.426 nan 8.150 nan 0.000 0.447 431 R N 0.011 120.517 120.500 0.010 0.000 2.091 431 R HA -0.155 4.185 4.340 0.001 0.000 0.238 431 R C 1.933 178.240 176.300 0.010 0.000 1.136 431 R CA 1.897 58.005 56.100 0.015 0.000 0.959 431 R CB -0.573 29.741 30.300 0.023 0.000 0.856 431 R HN 0.764 nan 8.270 nan 0.000 0.437 432 N N 0.214 118.919 118.700 0.007 0.000 2.166 432 N HA -0.158 4.582 4.740 0.001 0.000 0.186 432 N C 1.149 176.659 175.510 0.000 0.000 1.019 432 N CA 0.984 54.037 53.050 0.005 0.000 0.856 432 N CB -0.056 38.433 38.487 0.003 0.000 0.993 432 N HN 0.375 nan 8.380 nan 0.000 0.426 433 E N -0.184 120.014 120.200 -0.004 0.000 2.516 433 E HA -0.025 4.325 4.350 0.001 0.000 0.199 433 E C 0.992 177.591 176.600 -0.002 0.000 1.069 433 E CA 0.204 56.601 56.400 -0.006 0.000 0.876 433 E CB 0.062 29.755 29.700 -0.012 0.000 0.843 433 E HN 0.500 nan 8.360 nan 0.000 0.530 434 G N 1.566 110.367 108.800 0.002 0.000 2.175 434 G HA2 -0.279 3.681 3.960 0.001 0.000 0.244 434 G HA3 -0.279 3.681 3.960 0.001 0.000 0.244 434 G C 0.215 175.118 174.900 0.006 0.000 0.982 434 G CA -0.274 44.828 45.100 0.004 0.000 0.641 434 G HN 0.112 nan 8.290 nan 0.000 0.527 435 R N 0.770 121.273 120.500 0.006 0.000 2.623 435 R HA 0.284 4.624 4.340 0.001 0.000 0.271 435 R C -0.521 175.788 176.300 0.014 0.000 1.043 435 R CA -0.041 56.065 56.100 0.010 0.000 1.083 435 R CB 0.472 30.778 30.300 0.011 0.000 0.974 435 R HN 0.268 nan 8.270 nan 0.000 0.436 436 D N 3.065 123.475 120.400 0.016 0.000 2.365 436 D HA 0.069 4.710 4.640 0.001 0.000 0.237 436 D C 1.047 177.362 176.300 0.025 0.000 1.190 436 D CA -0.165 53.846 54.000 0.018 0.000 0.867 436 D CB 0.634 41.443 40.800 0.015 0.000 1.050 436 D HN 0.416 nan 8.370 nan 0.000 0.491 437 L N 3.189 124.430 121.223 0.029 0.000 2.141 437 L HA -0.104 4.236 4.340 0.001 0.000 0.209 437 L C 2.363 179.260 176.870 0.045 0.000 1.094 437 L CA 1.041 55.905 54.840 0.041 0.000 0.763 437 L CB -0.342 41.744 42.059 0.045 0.000 0.908 437 L HN 0.486 nan 8.230 nan 0.000 0.437 438 A N 0.140 122.980 122.820 0.033 0.000 1.940 438 A HA -0.226 4.095 4.320 0.001 0.000 0.219 438 A C 2.354 179.959 177.584 0.035 0.000 1.176 438 A CA 1.788 53.844 52.037 0.031 0.000 0.631 438 A CB -0.317 18.693 19.000 0.017 0.000 0.814 438 A HN 0.265 nan 8.150 nan 0.000 0.446 439 R N -0.777 119.741 120.500 0.031 0.000 2.105 439 R HA 0.137 4.477 4.340 0.001 0.000 0.214 439 R C 1.530 177.854 176.300 0.040 0.000 1.091 439 R CA 1.393 57.511 56.100 0.030 0.000 1.007 439 R CB -0.070 30.243 30.300 0.022 0.000 0.912 439 R HN 0.626 nan 8.270 nan 0.000 0.450 440 E N -0.905 119.321 120.200 0.042 0.000 2.481 440 E HA 0.147 4.497 4.350 0.001 0.000 0.198 440 E C 1.432 178.071 176.600 0.064 0.000 1.027 440 E CA 0.236 56.664 56.400 0.047 0.000 0.900 440 E CB 0.751 30.472 29.700 0.035 0.000 0.993 440 E HN 0.403 nan 8.360 nan 0.000 0.482 441 G N 1.451 110.296 108.800 0.075 0.000 2.491 441 G HA2 -0.310 3.651 3.960 0.001 0.000 0.218 441 G HA3 -0.310 3.651 3.960 0.001 0.000 0.218 441 G C 1.541 176.524 174.900 0.139 0.000 1.180 441 G CA 0.907 46.066 45.100 0.098 0.000 0.774 441 G HN 0.399 nan 8.290 nan 0.000 0.562 442 G N 0.625 109.526 108.800 0.169 0.000 2.469 442 G HA2 -0.231 3.729 3.960 0.001 0.000 0.220 442 G HA3 -0.231 3.729 3.960 0.001 0.000 0.220 442 G C 1.500 176.530 174.900 0.217 0.000 1.136 442 G CA 1.442 46.695 45.100 0.254 0.000 0.759 442 G HN 0.362 nan 8.290 nan 0.000 0.562 443 D N -0.119 120.360 120.400 0.131 0.000 2.144 443 D HA -0.044 4.596 4.640 0.001 0.000 0.200 443 D C 2.776 179.123 176.300 0.079 0.000 0.978 443 D CA 0.451 54.511 54.000 0.099 0.000 0.833 443 D CB -0.290 40.550 40.800 0.066 0.000 0.961 443 D HN 0.208 nan 8.370 nan 0.000 0.470 444 V N 1.460 121.414 119.914 0.066 0.000 2.295 444 V HA -0.212 3.909 4.120 0.001 0.000 0.246 444 V C 2.433 178.538 176.094 0.018 0.000 1.049 444 V CA 0.989 63.309 62.300 0.034 0.000 1.024 444 V CB -0.232 31.608 31.823 0.028 0.000 0.648 444 V HN 0.177 nan 8.190 nan 0.000 0.447 445 I N -0.080 120.499 120.570 0.014 0.000 2.179 445 I HA -0.212 3.959 4.170 0.001 0.000 0.242 445 I C 2.641 178.706 176.117 -0.088 0.000 1.088 445 I CA 1.668 62.908 61.300 -0.101 0.000 1.357 445 I CB -1.309 36.540 38.000 -0.251 0.000 1.051 445 I HN 0.307 nan 8.210 nan 0.000 0.409 446 R N 0.263 120.792 120.500 0.048 0.000 2.091 446 R HA -0.146 4.194 4.340 0.001 0.000 0.238 446 R C 2.559 178.900 176.300 0.068 0.000 1.136 446 R CA 1.749 57.910 56.100 0.102 0.000 0.959 446 R CB -0.258 30.152 30.300 0.184 0.000 0.856 446 R HN 0.277 nan 8.270 nan 0.000 0.437 447 S N 0.294 116.029 115.700 0.059 0.000 2.356 447 S HA -0.148 4.323 4.470 0.001 0.000 0.223 447 S C 2.012 176.667 174.600 0.092 0.000 1.032 447 S CA 1.285 59.523 58.200 0.062 0.000 1.005 447 S CB -0.165 63.055 63.200 0.033 0.000 0.867 447 S HN 0.506 nan 8.310 nan 0.000 0.449 448 A N 0.363 123.225 122.820 0.069 0.000 1.933 448 A HA -0.158 4.163 4.320 0.001 0.000 0.218 448 A C 2.396 180.067 177.584 0.145 0.000 1.175 448 A CA 1.591 53.710 52.037 0.136 0.000 0.628 448 A CB -1.262 17.775 19.000 0.062 0.000 0.814 448 A HN 0.638 nan 8.150 nan 0.000 0.444 449 C N -0.574 118.744 119.300 0.029 0.000 2.413 449 C HA -0.086 4.375 4.460 0.001 0.000 0.276 449 C C 2.683 177.696 174.990 0.039 0.000 1.248 449 C CA 1.287 60.301 59.018 -0.008 0.000 1.742 449 C CB -0.841 26.878 27.740 -0.036 0.000 2.017 449 C HN 0.610 nan 8.230 nan 0.000 0.481 450 K N -0.778 119.672 120.400 0.085 0.000 2.147 450 K HA -0.192 4.128 4.320 0.001 0.000 0.205 450 K C 1.863 178.539 176.600 0.127 0.000 1.049 450 K CA 1.573 57.916 56.287 0.094 0.000 0.936 450 K CB -0.231 32.332 32.500 0.105 0.000 0.722 450 K HN 0.781 nan 8.250 nan 0.000 0.446 451 W N 0.654 121.948 121.300 -0.011 0.000 2.630 451 W HA 0.115 4.775 4.660 0.001 0.000 0.271 451 W C 0.389 176.906 176.519 -0.004 0.000 1.244 451 W CA 0.401 57.742 57.345 -0.006 0.000 1.353 451 W CB 0.240 29.694 29.460 -0.011 0.000 1.080 451 W HN -0.147 nan 8.180 nan 0.000 0.594 452 S N 0.983 116.548 115.700 -0.225 0.000 2.530 452 S HA 0.336 4.806 4.470 0.001 0.000 0.322 452 S C -1.680 172.792 174.600 -0.214 0.000 1.085 452 S CA -1.571 56.370 58.200 -0.432 0.000 1.096 452 S CB 1.469 64.543 63.200 -0.210 0.000 0.988 452 S HN -0.136 nan 8.310 nan 0.000 0.466 453 P HA -0.030 nan 4.420 nan 0.000 0.218 453 P C 0.826 178.047 177.300 -0.132 0.000 1.149 453 P CA 0.991 64.079 63.100 -0.021 0.000 0.817 453 P CB 0.207 31.995 31.700 0.147 0.000 0.785 454 E N -0.580 119.529 120.200 -0.152 0.000 2.047 454 E HA -0.139 4.212 4.350 0.001 0.000 0.191 454 E C 1.857 178.326 176.600 -0.219 0.000 0.987 454 E CA 0.707 56.925 56.400 -0.303 0.000 0.799 454 E CB -1.264 28.335 29.700 -0.168 0.000 0.752 454 E HN 0.088 nan 8.360 nan 0.000 0.449 455 L N 0.765 121.893 121.223 -0.159 0.000 2.017 455 L HA -0.106 4.235 4.340 0.001 0.000 0.208 455 L C 2.089 178.843 176.870 -0.193 0.000 1.073 455 L CA 2.180 56.935 54.840 -0.142 0.000 0.745 455 L CB -1.096 40.902 42.059 -0.102 0.000 0.894 455 L HN 0.126 nan 8.230 nan 0.000 0.432 456 A N -0.408 122.306 122.820 -0.177 0.000 1.917 456 A HA -0.236 4.084 4.320 0.001 0.000 0.219 456 A C 2.455 179.899 177.584 -0.232 0.000 1.182 456 A CA 2.360 54.304 52.037 -0.155 0.000 0.633 456 A CB -1.294 17.652 19.000 -0.090 0.000 0.819 456 A HN 0.620 nan 8.150 nan 0.000 0.448 457 A N -0.583 122.000 122.820 -0.395 0.000 1.933 457 A HA 0.199 4.519 4.320 0.001 0.000 0.218 457 A C 2.464 179.644 177.584 -0.674 0.000 1.175 457 A CA 2.041 53.717 52.037 -0.602 0.000 0.628 457 A CB -0.851 17.450 19.000 -1.165 0.000 0.814 457 A HN 1.072 nan 8.150 nan 0.000 0.444 458 A N -1.218 121.260 122.820 -0.570 0.000 1.897 458 A HA -0.080 4.240 4.320 0.001 0.000 0.215 458 A C 2.261 179.707 177.584 -0.230 0.000 1.181 458 A CA 1.412 53.160 52.037 -0.481 0.000 0.620 458 A CB -1.176 17.799 19.000 -0.040 0.000 0.821 458 A HN 0.562 nan 8.150 nan 0.000 0.443 459 C N -0.546 118.647 119.300 -0.178 0.000 2.413 459 C HA -0.083 4.377 4.460 0.001 0.000 0.276 459 C C 2.740 177.865 174.990 0.224 0.000 1.248 459 C CA 1.241 60.254 59.018 -0.008 0.000 1.742 459 C CB -0.973 26.673 27.740 -0.157 0.000 2.017 459 C HN 0.575 nan 8.230 nan 0.000 0.481 460 E N 0.509 120.699 120.200 -0.017 0.000 2.051 460 E HA -0.135 4.216 4.350 0.001 0.000 0.192 460 E C 2.316 178.824 176.600 -0.152 0.000 0.991 460 E CA 1.040 57.407 56.400 -0.055 0.000 0.799 460 E CB -0.661 28.972 29.700 -0.112 0.000 0.748 460 E HN 0.466 nan 8.360 nan 0.000 0.449 461 V N -0.216 119.476 119.914 -0.371 0.000 2.407 461 V HA -0.202 3.918 4.120 0.001 0.000 0.248 461 V C 1.511 177.326 176.094 -0.465 0.000 1.055 461 V CA 1.378 63.326 62.300 -0.586 0.000 1.049 461 V CB -0.306 30.840 31.823 -1.129 0.000 0.662 461 V HN 0.350 nan 8.190 nan 0.000 0.455 462 W N -0.649 120.582 121.300 -0.115 0.000 3.005 462 W HA 0.329 4.989 4.660 0.000 0.000 0.374 462 W C 1.881 178.277 176.519 -0.204 0.000 1.076 462 W CA -0.913 56.278 57.345 -0.258 0.000 1.794 462 W CB -0.284 28.825 29.460 -0.585 0.000 1.113 462 W HN 0.248 nan 8.180 nan 0.000 0.584 463 K N 1.108 121.570 120.400 0.103 0.000 2.059 463 K HA -0.248 4.072 4.320 0.001 0.000 0.212 463 K C 1.461 177.898 176.600 -0.272 0.000 1.050 463 K CA 1.863 58.050 56.287 -0.166 0.000 0.927 463 K CB 0.250 32.692 32.500 -0.096 0.000 0.714 463 K HN -0.169 nan 8.250 nan 0.000 0.447 464 E N 0.155 120.275 120.200 -0.134 0.000 2.427 464 E HA 0.003 4.353 4.350 0.001 0.000 0.196 464 E C -0.090 176.453 176.600 -0.095 0.000 1.028 464 E CA 0.306 56.633 56.400 -0.122 0.000 0.864 464 E CB 0.163 29.813 29.700 -0.083 0.000 0.813 464 E HN 0.199 nan 8.360 nan 0.000 0.514 465 I N 1.607 122.155 120.570 -0.037 0.000 2.352 465 I HA 0.216 4.387 4.170 0.001 0.000 0.290 465 I C 0.223 176.365 176.117 0.042 0.000 1.036 465 I CA -0.022 61.275 61.300 -0.004 0.000 1.336 465 I CB 0.509 38.566 38.000 0.095 0.000 1.407 465 I HN -0.173 nan 8.210 nan 0.000 0.497 466 K N 5.314 125.599 120.400 -0.191 0.000 2.477 466 K HA 0.592 4.912 4.320 0.001 0.000 0.255 466 K C -1.507 174.845 176.600 -0.413 0.000 0.952 466 K CA -0.570 55.645 56.287 -0.120 0.000 0.826 466 K CB 2.591 35.055 32.500 -0.061 0.000 1.331 466 K HN 0.172 nan 8.250 nan 0.000 0.437 467 F N 1.629 121.682 119.950 0.170 0.000 2.443 467 F HA 0.304 4.832 4.527 0.001 0.000 0.369 467 F C -0.446 175.447 175.800 0.155 0.000 1.090 467 F CA -0.511 57.613 58.000 0.206 0.000 1.129 467 F CB 1.454 40.589 39.000 0.225 0.000 1.367 467 F HN 0.296 nan 8.300 nan 0.000 0.465 468 E N 3.314 123.544 120.200 0.050 0.000 2.220 468 E HA 0.583 4.934 4.350 0.001 0.000 0.256 468 E C -1.275 175.160 176.600 -0.275 0.000 0.881 468 E CA -0.413 55.971 56.400 -0.028 0.000 0.766 468 E CB 1.644 31.299 29.700 -0.074 0.000 1.187 468 E HN 0.312 nan 8.360 nan 0.000 0.419 469 F N 0.564 120.560 119.950 0.078 0.000 2.626 469 F HA 0.193 4.721 4.527 0.000 0.000 0.311 469 F C -0.062 175.767 175.800 0.050 0.000 1.088 469 F CA -1.183 56.855 58.000 0.063 0.000 0.949 469 F CB 1.536 40.581 39.000 0.074 0.000 1.322 469 F HN 0.249 nan 8.300 nan 0.000 0.461 470 D N 1.073 121.622 120.400 0.248 0.000 2.450 470 D HA 0.129 4.769 4.640 0.001 0.000 0.247 470 D C -0.408 175.976 176.300 0.139 0.000 1.162 470 D CA 0.406 54.496 54.000 0.150 0.000 0.879 470 D CB 0.775 41.645 40.800 0.117 0.000 1.163 470 D HN 0.424 nan 8.370 nan 0.000 0.472 471 T N 5.751 120.369 114.554 0.106 0.000 2.834 471 T HA 0.078 4.428 4.350 0.001 0.000 0.298 471 T C 1.470 176.213 174.700 0.073 0.000 0.966 471 T CA -0.702 61.451 62.100 0.089 0.000 1.141 471 T CB 0.741 69.659 68.868 0.082 0.000 0.905 471 T HN 0.304 nan 8.240 nan 0.000 0.535 472 I N 1.695 122.302 120.570 0.061 0.000 2.296 472 I HA 0.015 4.185 4.170 0.001 0.000 0.242 472 I C 1.532 177.688 176.117 0.065 0.000 1.087 472 I CA 0.891 62.222 61.300 0.052 0.000 1.393 472 I CB -0.716 37.302 38.000 0.031 0.000 1.093 472 I HN 0.574 nan 8.210 nan 0.000 0.421 473 D N 2.759 123.202 120.400 0.072 0.000 2.767 473 D HA 0.032 4.672 4.640 0.001 0.000 0.231 473 D C 0.201 176.581 176.300 0.134 0.000 1.105 473 D CA 0.143 54.205 54.000 0.103 0.000 1.024 473 D CB -0.358 40.494 40.800 0.087 0.000 1.123 473 D HN 0.072 nan 8.370 nan 0.000 0.470 474 K N 1.047 121.514 120.400 0.112 0.000 2.202 474 K HA 0.267 4.587 4.320 0.001 0.000 0.264 474 K C 0.731 177.403 176.600 0.120 0.000 1.010 474 K CA -0.709 55.640 56.287 0.102 0.000 0.940 474 K CB 1.249 33.793 32.500 0.074 0.000 0.983 474 K HN 0.263 nan 8.250 nan 0.000 0.475 475 L N 0.000 121.284 121.223 0.101 0.000 2.949 475 L HA 0.000 4.340 4.340 0.001 0.000 0.249 475 L CA 0.000 54.894 54.840 0.090 0.000 0.813 475 L CB 0.000 42.085 42.059 0.044 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502