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 1h4f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATRAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 K N 1.704 122.109 120.400 0.010 0.000 2.295 2 K HA 0.464 4.784 4.320 -0.000 0.000 0.270 2 K C -0.684 175.919 176.600 0.004 0.000 1.011 2 K CA -0.050 56.240 56.287 0.005 0.000 0.953 2 K CB 0.594 33.094 32.500 -0.000 0.000 0.956 2 K HN 0.576 nan 8.250 nan 0.000 0.477 3 R N 0.323 120.824 120.500 0.001 0.000 2.540 3 R HA 0.562 4.902 4.340 -0.000 0.000 0.287 3 R C -0.460 175.833 176.300 -0.013 0.000 0.980 3 R CA -0.682 55.417 56.100 -0.001 0.000 0.966 3 R CB 1.630 31.930 30.300 -0.001 0.000 1.106 3 R HN 0.667 nan 8.270 nan 0.000 0.480 4 A N 1.866 124.675 122.820 -0.018 0.000 2.342 4 A HA 0.650 4.970 4.320 -0.000 0.000 0.323 4 A C -0.478 177.085 177.584 -0.036 0.000 1.125 4 A CA -0.694 51.321 52.037 -0.037 0.000 0.785 4 A CB 1.228 20.197 19.000 -0.052 0.000 1.221 4 A HN 0.536 nan 8.150 nan 0.000 0.463 5 V N -0.136 119.752 119.914 -0.043 0.000 3.074 5 V HA 0.752 4.872 4.120 -0.000 0.000 0.314 5 V C -0.699 175.368 176.094 -0.045 0.000 1.117 5 V CA -1.081 61.197 62.300 -0.037 0.000 1.014 5 V CB 1.753 33.557 31.823 -0.032 0.000 1.057 5 V HN 0.633 nan 8.190 nan 0.000 0.438 6 I N 2.705 123.263 120.570 -0.020 0.000 2.354 6 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 6 I C 1.027 177.194 176.117 0.085 0.000 0.989 6 I CA 0.161 61.456 61.300 -0.010 0.000 1.188 6 I CB 1.348 39.328 38.000 -0.033 0.000 1.342 6 I HN 1.049 nan 8.210 nan 0.000 0.457 7 T N 1.022 115.620 114.554 0.073 0.000 3.084 7 T HA 0.512 4.862 4.350 -0.000 0.000 0.270 7 T C 0.477 175.317 174.700 0.232 0.000 1.008 7 T CA -0.318 61.853 62.100 0.118 0.000 0.900 7 T CB 0.493 69.376 68.868 0.027 0.000 1.084 7 T HN 0.787 nan 8.240 nan 0.000 0.538 8 G N 1.374 110.303 108.800 0.215 0.000 2.616 8 G HA2 0.545 4.505 3.960 -0.000 0.000 0.294 8 G HA3 0.545 4.505 3.960 -0.000 0.000 0.294 8 G C -2.141 172.743 174.900 -0.027 0.000 1.489 8 G CA -0.839 44.383 45.100 0.204 0.000 0.836 8 G HN 0.713 nan 8.290 nan 0.000 0.527 9 L N -1.319 119.863 121.223 -0.068 0.000 2.469 9 L HA 1.061 5.401 4.340 -0.000 0.000 0.256 9 L C -0.100 176.713 176.870 -0.095 0.000 1.006 9 L CA -0.754 53.987 54.840 -0.165 0.000 0.832 9 L CB 1.851 43.696 42.059 -0.357 0.000 1.421 9 L HN 1.363 nan 8.230 nan 0.000 0.410 10 G N 0.836 109.572 108.800 -0.107 0.000 2.706 10 G HA2 0.774 4.734 3.960 -0.000 0.000 0.297 10 G HA3 0.774 4.734 3.960 -0.000 0.000 0.297 10 G C -2.068 172.780 174.900 -0.086 0.000 1.403 10 G CA -0.638 44.413 45.100 -0.081 0.000 0.954 10 G HN 1.059 nan 8.290 nan 0.000 0.500 11 I N 0.609 121.143 120.570 -0.060 0.000 2.787 11 I HA 0.600 4.770 4.170 -0.000 0.000 0.294 11 I C -1.579 174.512 176.117 -0.045 0.000 1.365 11 I CA -0.909 60.352 61.300 -0.065 0.000 1.029 11 I CB 2.321 40.272 38.000 -0.080 0.000 1.313 11 I HN 0.362 nan 8.210 nan 0.000 0.431 12 V N 6.402 126.274 119.914 -0.069 0.000 2.419 12 V HA 0.575 4.695 4.120 -0.000 0.000 0.287 12 V C -0.289 175.696 176.094 -0.181 0.000 1.017 12 V CA -0.199 62.035 62.300 -0.110 0.000 0.844 12 V CB 1.351 33.101 31.823 -0.121 0.000 1.011 12 V HN 0.820 nan 8.190 nan 0.000 0.429 13 S N 2.342 117.970 115.700 -0.121 0.000 2.704 13 S HA 0.465 4.935 4.470 -0.000 0.000 0.296 13 S C 1.177 175.715 174.600 -0.102 0.000 1.138 13 S CA 0.088 58.229 58.200 -0.097 0.000 0.875 13 S CB 1.819 65.054 63.200 0.058 0.000 1.151 13 S HN 0.884 nan 8.310 nan 0.000 0.500 14 S N 0.441 116.090 115.700 -0.085 0.000 2.442 14 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 14 S C 1.410 175.980 174.600 -0.050 0.000 1.007 14 S CA 1.161 59.312 58.200 -0.082 0.000 0.965 14 S CB -1.165 62.003 63.200 -0.054 0.000 0.773 14 S HN 0.996 nan 8.310 nan 0.000 0.504 15 I N -2.391 118.157 120.570 -0.036 0.000 3.914 15 I HA 0.676 4.846 4.170 -0.000 0.000 0.333 15 I C 0.581 176.681 176.117 -0.027 0.000 1.449 15 I CA -0.404 60.871 61.300 -0.042 0.000 1.135 15 I CB 0.175 38.125 38.000 -0.083 0.000 1.073 15 I HN 0.288 nan 8.210 nan 0.000 0.401 16 G N 1.125 109.911 108.800 -0.022 0.000 2.351 16 G HA2 0.011 3.971 3.960 -0.000 0.000 0.296 16 G HA3 0.011 3.971 3.960 -0.000 0.000 0.296 16 G C -0.770 174.118 174.900 -0.020 0.000 1.685 16 G CA -0.685 44.406 45.100 -0.014 0.000 0.936 16 G HN 0.001 nan 8.290 nan 0.000 0.714 17 N N 0.350 119.038 118.700 -0.019 0.000 2.383 17 N HA 0.095 4.835 4.740 -0.000 0.000 0.192 17 N C 0.426 175.933 175.510 -0.006 0.000 1.141 17 N CA 0.809 53.847 53.050 -0.020 0.000 0.851 17 N CB 0.125 38.606 38.487 -0.011 0.000 0.976 17 N HN 0.837 nan 8.380 nan 0.000 0.465 18 N N -1.876 116.824 118.700 0.001 0.000 3.355 18 N HA -0.052 4.688 4.740 -0.000 0.000 0.238 18 N C 0.300 175.820 175.510 0.017 0.000 1.466 18 N CA -0.673 52.382 53.050 0.007 0.000 0.882 18 N CB 0.411 38.905 38.487 0.013 0.000 1.406 18 N HN -0.130 nan 8.380 nan 0.000 0.500 19 Q N -1.145 118.669 119.800 0.023 0.000 2.291 19 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 19 Q C 0.631 176.649 176.000 0.030 0.000 0.976 19 Q CA 1.542 57.368 55.803 0.039 0.000 0.875 19 Q CB -0.274 28.498 28.738 0.057 0.000 0.927 19 Q HN 0.640 nan 8.270 nan 0.000 0.450 20 Q N 1.248 121.060 119.800 0.019 0.000 2.049 20 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 20 Q C 1.752 177.740 176.000 -0.019 0.000 0.971 20 Q CA 1.784 57.585 55.803 -0.004 0.000 0.833 20 Q CB 0.100 28.840 28.738 0.003 0.000 0.896 20 Q HN 0.535 nan 8.270 nan 0.000 0.434 21 E N -0.292 119.903 120.200 -0.009 0.000 2.110 21 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 21 E C 1.923 178.514 176.600 -0.015 0.000 0.988 21 E CA 1.207 57.598 56.400 -0.015 0.000 0.804 21 E CB 0.042 29.737 29.700 -0.010 0.000 0.745 21 E HN 0.115 nan 8.360 nan 0.000 0.458 22 V N 1.296 121.215 119.914 0.008 0.000 2.379 22 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 22 V C 2.246 178.348 176.094 0.013 0.000 1.044 22 V CA 1.198 63.517 62.300 0.031 0.000 1.036 22 V CB -0.307 31.590 31.823 0.123 0.000 0.664 22 V HN 0.223 nan 8.190 nan 0.000 0.453 23 L N 1.080 122.303 121.223 -0.001 0.000 2.012 23 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 23 L C 2.464 179.272 176.870 -0.104 0.000 1.073 23 L CA 2.498 57.310 54.840 -0.046 0.000 0.748 23 L CB -0.987 40.971 42.059 -0.169 0.000 0.891 23 L HN 0.222 nan 8.230 nan 0.000 0.431 24 A N -1.356 121.404 122.820 -0.100 0.000 1.883 24 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 24 A C 2.408 179.934 177.584 -0.097 0.000 1.186 24 A CA 2.217 54.189 52.037 -0.109 0.000 0.624 24 A CB -1.150 17.805 19.000 -0.076 0.000 0.822 24 A HN 0.548 nan 8.150 nan 0.000 0.444 25 S N -0.185 115.473 115.700 -0.070 0.000 2.359 25 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 25 S C 1.851 176.408 174.600 -0.072 0.000 1.035 25 S CA 1.550 59.709 58.200 -0.069 0.000 1.018 25 S CB -0.515 62.644 63.200 -0.068 0.000 0.876 25 S HN 0.500 nan 8.310 nan 0.000 0.448 26 L N 0.961 122.152 121.223 -0.054 0.000 2.042 26 L HA -0.131 4.208 4.340 -0.000 0.000 0.210 26 L C 2.787 179.680 176.870 0.038 0.000 1.076 26 L CA 1.171 56.021 54.840 0.017 0.000 0.749 26 L CB -0.487 41.677 42.059 0.174 0.000 0.893 26 L HN 0.206 nan 8.230 nan 0.000 0.432 27 R N 0.656 121.070 120.500 -0.143 0.000 2.092 27 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 27 R C 1.948 178.154 176.300 -0.156 0.000 1.119 27 R CA 1.578 57.487 56.100 -0.317 0.000 0.970 27 R CB -0.395 29.599 30.300 -0.510 0.000 0.864 27 R HN 0.625 nan 8.270 nan 0.000 0.440 28 E N -0.270 119.861 120.200 -0.115 0.000 2.489 28 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 28 E C 0.643 177.213 176.600 -0.050 0.000 1.057 28 E CA 0.542 56.895 56.400 -0.077 0.000 0.866 28 E CB 0.089 29.747 29.700 -0.070 0.000 0.916 28 E HN 0.261 nan 8.360 nan 0.000 0.500 29 G N 2.124 110.899 108.800 -0.042 0.000 2.221 29 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.265 29 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.265 29 G C 0.024 174.902 174.900 -0.038 0.000 1.041 29 G CA 0.488 45.569 45.100 -0.032 0.000 0.807 29 G HN 0.390 nan 8.290 nan 0.000 0.502 30 R N 0.270 120.742 120.500 -0.046 0.000 2.491 30 R HA 0.453 4.793 4.340 -0.000 0.000 0.283 30 R C 0.790 177.065 176.300 -0.040 0.000 1.072 30 R CA 0.477 56.554 56.100 -0.038 0.000 1.048 30 R CB 0.445 30.721 30.300 -0.039 0.000 0.983 30 R HN 0.313 nan 8.270 nan 0.000 0.450 31 S N 1.837 117.523 115.700 -0.023 0.000 2.554 31 S HA 0.329 4.799 4.470 -0.000 0.000 0.278 31 S C 0.800 175.398 174.600 -0.003 0.000 1.242 31 S CA -0.391 57.800 58.200 -0.016 0.000 1.051 31 S CB 1.557 64.755 63.200 -0.002 0.000 0.986 31 S HN 0.773 nan 8.310 nan 0.000 0.502 32 G N 3.735 112.533 108.800 -0.004 0.000 3.233 32 G HA2 0.216 4.176 3.960 -0.000 0.000 0.234 32 G HA3 0.216 4.176 3.960 -0.000 0.000 0.234 32 G C 0.178 175.108 174.900 0.049 0.000 1.137 32 G CA -0.242 44.863 45.100 0.008 0.000 0.763 32 G HN 0.625 nan 8.290 nan 0.000 0.549 33 I N 2.717 123.330 120.570 0.073 0.000 2.441 33 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 33 I C 0.752 176.973 176.117 0.173 0.000 1.049 33 I CA -0.258 61.123 61.300 0.135 0.000 1.381 33 I CB 0.276 38.344 38.000 0.113 0.000 1.409 33 I HN 0.076 nan 8.210 nan 0.000 0.523 34 T N 2.883 117.599 114.554 0.269 0.000 2.864 34 T HA 0.547 4.897 4.350 -0.000 0.000 0.289 34 T C -0.514 174.352 174.700 0.277 0.000 1.082 34 T CA -0.762 61.504 62.100 0.275 0.000 1.009 34 T CB 1.737 70.782 68.868 0.296 0.000 1.234 34 T HN 0.210 nan 8.240 nan 0.000 0.526 35 F N 1.558 121.569 119.950 0.102 0.000 2.443 35 F HA 0.572 5.099 4.527 -0.000 0.000 0.353 35 F C 0.424 176.171 175.800 -0.088 0.000 1.101 35 F CA -0.224 57.782 58.000 0.009 0.000 1.226 35 F CB 0.990 40.001 39.000 0.018 0.000 1.140 35 F HN 0.663 nan 8.300 nan 0.000 0.557 36 S N 5.096 120.035 115.700 -1.269 0.000 2.594 36 S HA 0.182 4.652 4.470 -0.000 0.000 0.322 36 S C 0.594 174.364 174.600 -1.384 0.000 1.085 36 S CA -0.680 56.720 58.200 -1.333 0.000 1.116 36 S CB 1.133 63.023 63.200 -2.182 0.000 0.979 36 S HN 0.897 nan 8.310 nan 0.000 0.465 37 Q N 3.481 122.791 119.800 -0.817 0.000 2.124 37 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 37 Q C 1.765 177.520 176.000 -0.407 0.000 0.977 37 Q CA 2.430 57.980 55.803 -0.422 0.000 0.850 37 Q CB -0.232 28.490 28.738 -0.027 0.000 0.901 37 Q HN 0.915 nan 8.270 nan 0.000 0.429 38 E N -0.557 119.421 120.200 -0.370 0.000 2.058 38 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 38 E C 1.835 178.234 176.600 -0.335 0.000 0.997 38 E CA 1.438 57.689 56.400 -0.248 0.000 0.801 38 E CB -0.203 29.476 29.700 -0.035 0.000 0.746 38 E HN 0.485 nan 8.360 nan 0.000 0.450 39 L N 0.405 121.314 121.223 -0.522 0.000 2.056 39 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 39 L C 2.828 179.472 176.870 -0.376 0.000 1.078 39 L CA 1.336 55.958 54.840 -0.364 0.000 0.749 39 L CB -0.450 41.363 42.059 -0.409 0.000 0.901 39 L HN 0.117 nan 8.230 nan 0.000 0.433 40 K N 0.318 120.352 120.400 -0.610 0.000 2.026 40 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 40 K C 1.688 178.057 176.600 -0.385 0.000 1.048 40 K CA 1.729 57.575 56.287 -0.735 0.000 0.929 40 K CB 0.039 32.044 32.500 -0.824 0.000 0.713 40 K HN 0.184 nan 8.250 nan 0.000 0.439 41 D N -0.022 120.183 120.400 -0.325 0.000 2.178 41 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 41 D C 1.910 178.021 176.300 -0.314 0.000 0.980 41 D CA 1.490 55.336 54.000 -0.258 0.000 0.842 41 D CB -0.172 40.492 40.800 -0.227 0.000 0.948 41 D HN 0.344 nan 8.370 nan 0.000 0.472 42 S N -0.834 114.631 115.700 -0.393 0.000 2.453 42 S HA 0.087 4.557 4.470 -0.000 0.000 0.231 42 S C 1.771 176.191 174.600 -0.299 0.000 1.005 42 S CA 1.205 59.086 58.200 -0.531 0.000 0.949 42 S CB 0.164 63.014 63.200 -0.583 0.000 0.774 42 S HN 0.331 nan 8.310 nan 0.000 0.510 43 G N 0.417 109.106 108.800 -0.184 0.000 2.168 43 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.197 43 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.197 43 G C 0.039 174.936 174.900 -0.004 0.000 0.997 43 G CA 0.035 45.084 45.100 -0.085 0.000 0.658 43 G HN 0.473 nan 8.290 nan 0.000 0.513 44 M N -0.523 119.084 119.600 0.012 0.000 2.157 44 M HA 0.408 4.888 4.480 -0.000 0.000 0.304 44 M C 1.891 178.288 176.300 0.162 0.000 1.171 44 M CA 0.220 55.569 55.300 0.082 0.000 1.157 44 M CB 0.437 33.091 32.600 0.089 0.000 1.403 44 M HN 0.142 nan 8.290 nan 0.000 0.473 45 R N -0.563 119.987 120.500 0.083 0.000 2.175 45 R HA 0.130 4.470 4.340 -0.000 0.000 0.202 45 R C 0.440 176.645 176.300 -0.158 0.000 1.018 45 R CA 0.142 56.223 56.100 -0.031 0.000 1.029 45 R CB 0.342 30.617 30.300 -0.042 0.000 0.959 45 R HN 0.587 nan 8.270 nan 0.000 0.480 46 S N 0.325 116.016 115.700 -0.014 0.000 2.499 46 S HA 0.102 4.572 4.470 -0.000 0.000 0.275 46 S C 0.044 174.710 174.600 0.110 0.000 1.257 46 S CA -0.408 57.780 58.200 -0.021 0.000 1.050 46 S CB 0.358 63.555 63.200 -0.006 0.000 0.937 46 S HN 0.335 nan 8.310 nan 0.000 0.490 47 H N 2.670 121.685 119.070 -0.092 0.000 2.581 47 H HA 0.316 4.872 4.556 -0.000 0.000 0.275 47 H C 0.038 175.155 175.328 -0.351 0.000 1.126 47 H CA -0.498 55.404 56.048 -0.243 0.000 1.097 47 H CB 0.669 30.386 29.762 -0.075 0.000 1.626 47 H HN 0.472 nan 8.280 nan 0.000 0.565 48 V N -1.863 118.002 119.914 -0.082 0.000 2.914 48 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 48 V C -1.416 174.724 176.094 0.076 0.000 1.084 48 V CA -0.889 61.383 62.300 -0.047 0.000 0.963 48 V CB 2.347 34.232 31.823 0.104 0.000 1.025 48 V HN 0.362 nan 8.190 nan 0.000 0.432 49 W N 0.827 122.147 121.300 0.034 0.000 3.005 49 W HA 0.817 5.477 4.660 -0.000 0.000 0.343 49 W C -0.296 176.248 176.519 0.041 0.000 1.243 49 W CA -1.733 55.637 57.345 0.041 0.000 1.186 49 W CB 0.776 30.259 29.460 0.037 0.000 1.453 49 W HN 1.043 nan 8.180 nan 0.000 0.575 50 G N 1.920 110.851 108.800 0.220 0.000 3.161 50 G HA2 0.373 4.333 3.960 -0.000 0.000 0.328 50 G HA3 0.373 4.333 3.960 -0.000 0.000 0.328 50 G C -0.401 174.395 174.900 -0.174 0.000 1.037 50 G CA -0.814 44.309 45.100 0.040 0.000 1.416 50 G HN 0.602 nan 8.290 nan 0.000 0.486 51 N N -0.092 118.398 118.700 -0.350 0.000 2.513 51 N HA 0.379 5.119 4.740 -0.000 0.000 0.274 51 N C -0.390 174.929 175.510 -0.318 0.000 1.189 51 N CA -0.859 51.843 53.050 -0.580 0.000 0.975 51 N CB 1.921 39.886 38.487 -0.870 0.000 1.157 51 N HN -0.032 nan 8.380 nan 0.000 0.465 52 V N 1.230 120.943 119.914 -0.334 0.000 2.455 52 V HA 0.075 4.195 4.120 -0.000 0.000 0.273 52 V C -0.094 175.905 176.094 -0.160 0.000 1.045 52 V CA -0.287 61.843 62.300 -0.284 0.000 0.976 52 V CB 0.480 32.017 31.823 -0.476 0.000 0.993 52 V HN 0.690 nan 8.190 nan 0.000 0.475 53 K N 5.833 126.171 120.400 -0.102 0.000 2.231 53 K HA 0.634 4.954 4.320 -0.000 0.000 0.255 53 K C -0.933 175.653 176.600 -0.022 0.000 1.108 53 K CA -0.051 56.211 56.287 -0.043 0.000 0.997 53 K CB 0.616 33.104 32.500 -0.019 0.000 1.549 53 K HN 0.444 nan 8.250 nan 0.000 0.419 54 L N 1.128 122.349 121.223 -0.002 0.000 2.565 54 L HA 0.336 4.676 4.340 -0.000 0.000 0.261 54 L C -1.833 175.062 176.870 0.043 0.000 0.932 54 L CA -0.507 54.345 54.840 0.021 0.000 0.878 54 L CB 2.146 44.219 42.059 0.025 0.000 1.333 54 L HN 0.344 nan 8.230 nan 0.000 0.409 55 D N 2.203 122.626 120.400 0.038 0.000 2.393 55 D HA 0.202 4.842 4.640 -0.000 0.000 0.232 55 D C 0.921 177.245 176.300 0.041 0.000 1.192 55 D CA 0.407 54.430 54.000 0.037 0.000 0.882 55 D CB 1.163 41.980 40.800 0.028 0.000 1.038 55 D HN 0.695 nan 8.370 nan 0.000 0.499 56 T N 0.017 114.601 114.554 0.050 0.000 3.148 56 T HA 0.007 4.357 4.350 -0.000 0.000 0.253 56 T C 0.832 175.540 174.700 0.013 0.000 1.134 56 T CA -0.241 61.887 62.100 0.046 0.000 1.051 56 T CB -0.473 68.433 68.868 0.063 0.000 0.959 56 T HN 0.217 nan 8.240 nan 0.000 0.525 57 T N 2.425 116.982 114.554 0.006 0.000 2.908 57 T HA 0.397 4.747 4.350 -0.000 0.000 0.301 57 T C 1.533 176.226 174.700 -0.012 0.000 1.019 57 T CA 0.757 62.850 62.100 -0.011 0.000 1.152 57 T CB 0.102 68.966 68.868 -0.007 0.000 0.966 57 T HN 0.710 nan 8.240 nan 0.000 0.540 58 G N 2.559 111.341 108.800 -0.030 0.000 2.166 58 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 58 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 58 G C 0.808 175.700 174.900 -0.014 0.000 0.986 58 G CA 0.404 45.488 45.100 -0.028 0.000 0.683 58 G HN 0.714 nan 8.290 nan 0.000 0.527 59 L N -0.762 120.457 121.223 -0.007 0.000 2.418 59 L HA 0.379 4.719 4.340 -0.000 0.000 0.218 59 L C 1.188 178.072 176.870 0.023 0.000 1.125 59 L CA 0.662 55.518 54.840 0.028 0.000 0.835 59 L CB 0.018 42.112 42.059 0.058 0.000 0.953 59 L HN 0.286 nan 8.230 nan 0.000 0.454 60 I N -0.883 119.648 120.570 -0.066 0.000 2.582 60 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 60 I C -0.810 175.200 176.117 -0.179 0.000 1.066 60 I CA -0.994 60.197 61.300 -0.182 0.000 1.053 60 I CB 2.213 39.962 38.000 -0.418 0.000 1.241 60 I HN -0.153 nan 8.210 nan 0.000 0.421 61 D N 5.316 125.618 120.400 -0.162 0.000 2.533 61 D HA -0.024 4.616 4.640 -0.000 0.000 0.236 61 D C 1.415 177.613 176.300 -0.169 0.000 1.137 61 D CA 0.108 54.030 54.000 -0.130 0.000 0.867 61 D CB 0.882 41.623 40.800 -0.097 0.000 1.170 61 D HN 0.582 nan 8.370 nan 0.000 0.474 62 R N 2.943 123.356 120.500 -0.146 0.000 2.119 62 R HA -0.226 4.114 4.340 -0.000 0.000 0.246 62 R C 1.265 177.433 176.300 -0.221 0.000 1.146 62 R CA 1.192 57.185 56.100 -0.179 0.000 0.962 62 R CB -0.199 30.015 30.300 -0.143 0.000 0.863 62 R HN 0.289 nan 8.270 nan 0.000 0.442 63 K N 0.501 120.806 120.400 -0.159 0.000 2.283 63 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 63 K C 1.931 178.485 176.600 -0.077 0.000 1.048 63 K CA 1.113 57.321 56.287 -0.132 0.000 0.948 63 K CB 0.214 32.688 32.500 -0.043 0.000 0.742 63 K HN 0.091 nan 8.250 nan 0.000 0.458 64 V N -0.059 119.787 119.914 -0.113 0.000 2.374 64 V HA -0.116 4.004 4.120 -0.000 0.000 0.241 64 V C 1.918 177.914 176.094 -0.163 0.000 1.034 64 V CA 0.967 63.211 62.300 -0.093 0.000 1.037 64 V CB 0.196 31.863 31.823 -0.261 0.000 0.682 64 V HN 0.072 nan 8.190 nan 0.000 0.463 65 V N 2.253 121.990 119.914 -0.296 0.000 2.759 65 V HA -0.194 3.926 4.120 -0.000 0.000 0.256 65 V C 2.748 178.619 176.094 -0.372 0.000 1.080 65 V CA 2.038 64.145 62.300 -0.323 0.000 1.101 65 V CB -0.679 30.960 31.823 -0.307 0.000 0.698 65 V HN 0.713 nan 8.190 nan 0.000 0.477 66 R N -0.872 119.318 120.500 -0.518 0.000 2.200 66 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 66 R C 1.816 177.534 176.300 -0.970 0.000 1.127 66 R CA 2.150 57.731 56.100 -0.864 0.000 0.989 66 R CB -0.744 28.812 30.300 -1.240 0.000 0.869 66 R HN 0.510 nan 8.270 nan 0.000 0.459 67 F N 0.927 120.615 119.950 -0.436 0.000 2.776 67 F HA 0.318 4.845 4.527 -0.000 0.000 0.300 67 F C 0.861 176.503 175.800 -0.262 0.000 1.116 67 F CA -0.267 57.579 58.000 -0.258 0.000 1.375 67 F CB 0.215 39.135 39.000 -0.135 0.000 1.109 67 F HN -0.111 nan 8.300 nan 0.000 0.585 68 M N -0.019 119.472 119.600 -0.182 0.000 2.363 68 M HA 0.323 4.803 4.480 -0.000 0.000 0.343 68 M C 0.377 176.472 176.300 -0.342 0.000 1.165 68 M CA -0.698 54.475 55.300 -0.211 0.000 1.046 68 M CB 1.660 34.149 32.600 -0.185 0.000 1.648 68 M HN -0.036 nan 8.290 nan 0.000 0.452 69 S N -0.108 115.439 115.700 -0.255 0.000 2.730 69 S HA 0.307 4.777 4.470 -0.000 0.000 0.284 69 S C 0.327 174.855 174.600 -0.120 0.000 1.153 69 S CA -0.737 57.365 58.200 -0.163 0.000 0.995 69 S CB 1.057 64.253 63.200 -0.006 0.000 1.058 69 S HN 0.676 nan 8.310 nan 0.000 0.552 70 D N 1.028 121.374 120.400 -0.091 0.000 2.144 70 D HA -0.024 4.616 4.640 -0.000 0.000 0.199 70 D C 2.184 178.157 176.300 -0.544 0.000 0.984 70 D CA 1.664 55.417 54.000 -0.412 0.000 0.834 70 D CB -0.875 39.661 40.800 -0.440 0.000 0.955 70 D HN 0.684 nan 8.370 nan 0.000 0.465 71 A N 0.532 123.230 122.820 -0.203 0.000 1.908 71 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 71 A C 2.453 180.021 177.584 -0.027 0.000 1.181 71 A CA 1.984 53.989 52.037 -0.053 0.000 0.627 71 A CB -0.553 18.466 19.000 0.033 0.000 0.818 71 A HN 0.181 nan 8.150 nan 0.000 0.445 72 S N -0.442 115.232 115.700 -0.044 0.000 2.387 72 S HA -0.038 4.432 4.470 -0.000 0.000 0.226 72 S C 1.802 176.429 174.600 0.045 0.000 1.026 72 S CA 1.193 59.404 58.200 0.019 0.000 0.972 72 S CB -0.433 62.765 63.200 -0.003 0.000 0.814 72 S HN 0.536 nan 8.310 nan 0.000 0.477 73 I N 0.545 121.061 120.570 -0.090 0.000 2.163 73 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 73 I C 2.072 178.262 176.117 0.121 0.000 1.085 73 I CA 1.380 62.642 61.300 -0.063 0.000 1.347 73 I CB -0.390 37.476 38.000 -0.223 0.000 1.044 73 I HN 0.269 nan 8.210 nan 0.000 0.408 74 Y N 0.702 121.046 120.300 0.074 0.000 2.181 74 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 74 Y C 2.651 178.591 175.900 0.067 0.000 1.146 74 Y CA 0.752 58.886 58.100 0.057 0.000 1.164 74 Y CB -1.398 37.072 38.460 0.017 0.000 0.982 74 Y HN 0.128 nan 8.280 nan 0.000 0.515 75 A N -0.389 122.569 122.820 0.230 0.000 1.898 75 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 75 A C 2.217 179.885 177.584 0.140 0.000 1.181 75 A CA 1.317 53.436 52.037 0.136 0.000 0.620 75 A CB -1.370 17.693 19.000 0.105 0.000 0.819 75 A HN 0.422 nan 8.150 nan 0.000 0.442 76 F N 0.752 120.755 119.950 0.087 0.000 2.069 76 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 76 F C 1.970 177.853 175.800 0.140 0.000 1.113 76 F CA 2.022 60.118 58.000 0.160 0.000 1.214 76 F CB -0.273 38.803 39.000 0.127 0.000 0.978 76 F HN 0.151 nan 8.300 nan 0.000 0.474 77 L N -0.601 120.834 121.223 0.353 0.000 2.042 77 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 77 L C 2.538 179.429 176.870 0.035 0.000 1.076 77 L CA 1.518 56.483 54.840 0.209 0.000 0.749 77 L CB -1.051 41.142 42.059 0.223 0.000 0.893 77 L HN 0.101 nan 8.230 nan 0.000 0.432 78 S N -0.385 115.329 115.700 0.022 0.000 2.383 78 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 78 S C 1.931 176.438 174.600 -0.154 0.000 1.030 78 S CA 1.765 59.934 58.200 -0.052 0.000 1.002 78 S CB -0.257 62.920 63.200 -0.039 0.000 0.829 78 S HN 0.372 nan 8.310 nan 0.000 0.467 79 M N 1.339 120.784 119.600 -0.259 0.000 2.175 79 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 79 M C 1.972 177.918 176.300 -0.590 0.000 1.063 79 M CA 1.419 56.403 55.300 -0.527 0.000 1.119 79 M CB -0.132 31.963 32.600 -0.841 0.000 1.377 79 M HN 0.215 nan 8.290 nan 0.000 0.415 80 E N -0.079 119.866 120.200 -0.425 0.000 2.085 80 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 80 E C 2.037 178.546 176.600 -0.153 0.000 0.994 80 E CA 1.786 58.047 56.400 -0.231 0.000 0.801 80 E CB -0.160 29.494 29.700 -0.078 0.000 0.743 80 E HN 0.690 nan 8.360 nan 0.000 0.453 81 Q N -0.039 119.694 119.800 -0.113 0.000 2.079 81 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 81 Q C 2.162 178.121 176.000 -0.067 0.000 0.974 81 Q CA 1.289 57.056 55.803 -0.060 0.000 0.840 81 Q CB -0.112 28.605 28.738 -0.036 0.000 0.898 81 Q HN 0.214 nan 8.270 nan 0.000 0.430 82 A N 0.773 123.523 122.820 -0.116 0.000 1.930 82 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 82 A C 2.033 179.583 177.584 -0.058 0.000 1.175 82 A CA 0.988 52.980 52.037 -0.075 0.000 0.627 82 A CB -0.563 18.387 19.000 -0.084 0.000 0.815 82 A HN 0.294 nan 8.150 nan 0.000 0.443 83 I N -0.248 120.216 120.570 -0.177 0.000 2.163 83 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 83 I C 2.993 179.079 176.117 -0.051 0.000 1.085 83 I CA 1.178 62.368 61.300 -0.184 0.000 1.347 83 I CB -0.282 37.457 38.000 -0.434 0.000 1.044 83 I HN 0.370 nan 8.210 nan 0.000 0.408 84 A N 0.120 122.919 122.820 -0.035 0.000 1.877 84 A HA -0.305 4.015 4.320 -0.000 0.000 0.216 84 A C 2.000 179.607 177.584 0.038 0.000 1.186 84 A CA 2.316 54.363 52.037 0.016 0.000 0.620 84 A CB -0.784 18.226 19.000 0.017 0.000 0.822 84 A HN 0.453 nan 8.150 nan 0.000 0.443 85 D N -0.412 120.016 120.400 0.047 0.000 2.218 85 D HA 0.017 4.657 4.640 -0.000 0.000 0.204 85 D C 1.774 178.150 176.300 0.127 0.000 0.976 85 D CA 1.284 55.342 54.000 0.097 0.000 0.853 85 D CB -0.114 40.763 40.800 0.128 0.000 0.939 85 D HN 0.354 nan 8.370 nan 0.000 0.481 86 A N -0.742 122.136 122.820 0.097 0.000 2.169 86 A HA 0.407 4.727 4.320 -0.000 0.000 0.212 86 A C 1.819 179.450 177.584 0.078 0.000 1.153 86 A CA 0.941 53.037 52.037 0.099 0.000 0.756 86 A CB -0.431 18.608 19.000 0.065 0.000 0.813 86 A HN 0.429 nan 8.150 nan 0.000 0.471 87 G N -0.970 107.871 108.800 0.068 0.000 2.182 87 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.248 87 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.248 87 G C -0.105 174.844 174.900 0.082 0.000 1.042 87 G CA 0.329 45.467 45.100 0.063 0.000 0.775 87 G HN 0.437 nan 8.290 nan 0.000 0.501 88 L N 0.670 121.954 121.223 0.101 0.000 2.309 88 L HA 0.679 5.019 4.340 -0.000 0.000 0.282 88 L C 0.481 177.504 176.870 0.254 0.000 1.036 88 L CA -0.621 54.323 54.840 0.174 0.000 0.806 88 L CB 1.887 44.049 42.059 0.170 0.000 1.220 88 L HN 0.169 nan 8.230 nan 0.000 0.429 89 S N 2.381 118.248 115.700 0.278 0.000 2.607 89 S HA 0.400 4.870 4.470 -0.000 0.000 0.303 89 S C -1.876 172.826 174.600 0.169 0.000 1.086 89 S CA -1.112 57.229 58.200 0.235 0.000 0.995 89 S CB 2.150 65.418 63.200 0.113 0.000 1.084 89 S HN 0.378 nan 8.310 nan 0.000 0.507 90 P HA -0.228 nan 4.420 nan 0.000 0.218 90 P C 1.336 178.447 177.300 -0.316 0.000 1.154 90 P CA 1.207 64.052 63.100 -0.424 0.000 0.872 90 P CB 0.169 31.741 31.700 -0.212 0.000 0.790 91 E N -0.851 119.276 120.200 -0.121 0.000 2.171 91 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 91 E C 1.742 178.316 176.600 -0.043 0.000 0.997 91 E CA 1.344 57.700 56.400 -0.073 0.000 0.810 91 E CB -0.352 29.334 29.700 -0.024 0.000 0.738 91 E HN 0.167 nan 8.360 nan 0.000 0.467 92 A N -0.128 122.700 122.820 0.013 0.000 1.984 92 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 92 A C 1.671 179.343 177.584 0.147 0.000 1.173 92 A CA 0.926 53.023 52.037 0.098 0.000 0.673 92 A CB -0.277 18.823 19.000 0.166 0.000 0.830 92 A HN 0.562 nan 8.150 nan 0.000 0.453 93 Y N -1.336 119.012 120.300 0.081 0.000 2.444 93 Y HA 0.445 4.995 4.550 -0.000 0.000 0.252 93 Y C 0.674 176.616 175.900 0.070 0.000 1.091 93 Y CA -0.619 57.547 58.100 0.109 0.000 1.276 93 Y CB -0.155 38.447 38.460 0.237 0.000 1.170 93 Y HN 0.175 nan 8.280 nan 0.000 0.517 94 Q N 1.830 121.326 119.800 -0.507 0.000 2.260 94 Q HA 0.197 4.537 4.340 -0.000 0.000 0.242 94 Q C -0.258 175.557 176.000 -0.307 0.000 0.932 94 Q CA -0.519 55.053 55.803 -0.385 0.000 0.891 94 Q CB 0.505 28.955 28.738 -0.480 0.000 1.222 94 Q HN 0.343 nan 8.270 nan 0.000 0.453 95 N N 1.844 120.241 118.700 -0.504 0.000 2.716 95 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 95 N C -1.166 174.142 175.510 -0.337 0.000 1.033 95 N CA 0.791 53.351 53.050 -0.816 0.000 0.727 95 N CB -1.119 37.147 38.487 -0.370 0.000 0.950 95 N HN 0.574 nan 8.380 nan 0.000 0.541 96 N N 0.004 118.590 118.700 -0.190 0.000 2.491 96 N HA 0.328 5.068 4.740 -0.000 0.000 0.274 96 N C -2.044 173.519 175.510 0.088 0.000 1.023 96 N CA -1.844 51.206 53.050 0.001 0.000 0.902 96 N CB 1.624 40.118 38.487 0.012 0.000 1.267 96 N HN -0.197 nan 8.380 nan 0.000 0.503 97 P HA -0.014 nan 4.420 nan 0.000 0.223 97 P C 0.479 177.814 177.300 0.059 0.000 1.144 97 P CA 1.051 64.221 63.100 0.116 0.000 0.783 97 P CB 0.306 32.058 31.700 0.087 0.000 0.771 98 R N -1.017 119.502 120.500 0.031 0.000 2.356 98 R HA 0.194 4.534 4.340 -0.000 0.000 0.234 98 R C -0.357 175.911 176.300 -0.054 0.000 0.929 98 R CA 0.038 56.128 56.100 -0.016 0.000 1.084 98 R CB 0.334 30.616 30.300 -0.030 0.000 1.105 98 R HN 0.074 nan 8.270 nan 0.000 0.515 99 V N 0.218 120.129 119.914 -0.004 0.000 2.444 99 V HA 0.567 4.687 4.120 -0.000 0.000 0.294 99 V C 0.377 176.502 176.094 0.052 0.000 1.022 99 V CA -0.755 61.543 62.300 -0.003 0.000 0.850 99 V CB 1.690 33.572 31.823 0.098 0.000 0.992 99 V HN 0.312 nan 8.190 nan 0.000 0.426 100 G N 3.129 111.929 108.800 -0.001 0.000 3.140 100 G HA2 0.823 4.783 3.960 -0.000 0.000 0.271 100 G HA3 0.823 4.783 3.960 -0.000 0.000 0.271 100 G C -1.768 173.174 174.900 0.071 0.000 1.370 100 G CA -0.761 44.348 45.100 0.016 0.000 1.014 100 G HN 0.737 nan 8.290 nan 0.000 0.541 101 L N -0.489 120.728 121.223 -0.010 0.000 2.562 101 L HA 0.687 5.027 4.340 -0.000 0.000 0.266 101 L C -1.604 175.189 176.870 -0.128 0.000 0.949 101 L CA -0.425 54.420 54.840 0.007 0.000 0.879 101 L CB 1.645 43.735 42.059 0.051 0.000 1.278 101 L HN 0.437 nan 8.230 nan 0.000 0.404 102 I N 5.293 125.793 120.570 -0.117 0.000 2.448 102 I HA 0.825 4.995 4.170 -0.000 0.000 0.281 102 I C -0.460 175.640 176.117 -0.029 0.000 1.027 102 I CA -0.438 60.781 61.300 -0.135 0.000 1.111 102 I CB 1.740 39.642 38.000 -0.164 0.000 1.236 102 I HN 0.802 nan 8.210 nan 0.000 0.452 103 A N 4.398 127.224 122.820 0.011 0.000 2.488 103 A HA 0.920 5.240 4.320 -0.000 0.000 0.295 103 A C -0.611 177.006 177.584 0.055 0.000 1.045 103 A CA -0.405 51.648 52.037 0.026 0.000 0.703 103 A CB 1.707 20.715 19.000 0.014 0.000 1.271 103 A HN 0.755 nan 8.150 nan 0.000 0.400 104 G N 0.041 108.875 108.800 0.057 0.000 3.022 104 G HA2 0.832 4.792 3.960 -0.000 0.000 0.284 104 G HA3 0.832 4.792 3.960 -0.000 0.000 0.284 104 G C -0.445 174.492 174.900 0.061 0.000 1.375 104 G CA 0.091 45.232 45.100 0.069 0.000 0.902 104 G HN 1.794 nan 8.290 nan 0.000 0.538 105 S N -2.031 113.710 115.700 0.067 0.000 2.632 105 S HA 0.665 5.135 4.470 -0.000 0.000 0.289 105 S C 0.924 175.569 174.600 0.075 0.000 1.115 105 S CA 0.159 58.399 58.200 0.066 0.000 0.889 105 S CB 1.621 64.864 63.200 0.071 0.000 1.116 105 S HN 1.364 nan 8.310 nan 0.000 0.486 106 G N -0.210 108.636 108.800 0.076 0.000 2.453 106 G HA2 0.331 4.291 3.960 -0.000 0.000 0.215 106 G HA3 0.331 4.291 3.960 -0.000 0.000 0.215 106 G C 0.864 175.843 174.900 0.132 0.000 1.147 106 G CA 0.349 45.510 45.100 0.102 0.000 0.802 106 G HN 1.140 nan 8.290 nan 0.000 0.535 107 G N -1.159 107.718 108.800 0.130 0.000 3.274 107 G HA2 0.461 4.421 3.960 -0.000 0.000 0.250 107 G HA3 0.461 4.421 3.960 -0.000 0.000 0.250 107 G C 1.031 175.992 174.900 0.102 0.000 1.024 107 G CA 0.759 45.937 45.100 0.131 0.000 0.840 107 G HN 1.088 nan 8.290 nan 0.000 0.522 108 G N 0.361 109.216 108.800 0.092 0.000 2.543 108 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.286 108 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.286 108 G C 0.322 175.278 174.900 0.094 0.000 1.153 108 G CA 0.601 45.752 45.100 0.085 0.000 0.968 108 G HN 1.358 nan 8.290 nan 0.000 0.544 109 S N 1.465 117.230 115.700 0.107 0.000 2.389 109 S HA 0.652 5.122 4.470 -0.000 0.000 0.201 109 S C -1.369 173.295 174.600 0.107 0.000 1.422 109 S CA -0.052 58.231 58.200 0.138 0.000 1.216 109 S CB 1.748 65.095 63.200 0.245 0.000 1.130 109 S HN 0.292 nan 8.310 nan 0.000 0.465 110 P HA -0.070 nan 4.420 nan 0.000 0.218 110 P C 1.493 178.747 177.300 -0.077 0.000 1.149 110 P CA 0.593 63.686 63.100 -0.011 0.000 0.817 110 P CB 0.142 31.821 31.700 -0.035 0.000 0.785 111 R N -0.854 119.576 120.500 -0.117 0.000 2.073 111 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 111 R C 1.854 177.998 176.300 -0.259 0.000 1.134 111 R CA 1.685 57.624 56.100 -0.267 0.000 0.952 111 R CB -0.919 29.165 30.300 -0.359 0.000 0.850 111 R HN 0.099 nan 8.270 nan 0.000 0.433 112 F N 0.525 120.499 119.950 0.040 0.000 2.367 112 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 112 F C 2.568 178.464 175.800 0.161 0.000 1.094 112 F CA 0.936 59.017 58.000 0.134 0.000 1.409 112 F CB -0.085 38.966 39.000 0.085 0.000 1.064 112 F HN 0.148 nan 8.300 nan 0.000 0.528 113 Q N -0.063 119.866 119.800 0.215 0.000 2.119 113 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 113 Q C 2.223 178.270 176.000 0.078 0.000 0.972 113 Q CA 1.370 57.255 55.803 0.137 0.000 0.847 113 Q CB -0.058 28.731 28.738 0.085 0.000 0.903 113 Q HN 0.248 nan 8.270 nan 0.000 0.433 114 V N 0.271 120.204 119.914 0.031 0.000 2.453 114 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 114 V C 1.798 177.902 176.094 0.017 0.000 1.048 114 V CA 1.527 63.822 62.300 -0.009 0.000 1.049 114 V CB -0.581 31.187 31.823 -0.091 0.000 0.672 114 V HN 0.435 nan 8.190 nan 0.000 0.457 115 F N 2.236 122.150 119.950 -0.061 0.000 2.134 115 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 115 F C 2.130 177.955 175.800 0.042 0.000 1.097 115 F CA 1.639 59.622 58.000 -0.029 0.000 1.264 115 F CB -0.877 38.077 39.000 -0.078 0.000 1.001 115 F HN 0.121 nan 8.300 nan 0.000 0.479 116 G N 0.172 108.912 108.800 -0.101 0.000 2.459 116 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 116 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 116 G C 1.844 176.611 174.900 -0.222 0.000 1.183 116 G CA 1.126 46.118 45.100 -0.180 0.000 0.776 116 G HN 0.646 nan 8.290 nan 0.000 0.552 117 A N 0.837 123.588 122.820 -0.116 0.000 1.902 117 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 117 A C 2.123 179.638 177.584 -0.114 0.000 1.181 117 A CA 2.184 54.169 52.037 -0.086 0.000 0.623 117 A CB -0.466 18.512 19.000 -0.037 0.000 0.818 117 A HN 0.293 nan 8.150 nan 0.000 0.443 118 D N 0.078 120.394 120.400 -0.139 0.000 2.097 118 D HA -0.059 4.581 4.640 -0.000 0.000 0.195 118 D C 2.256 178.447 176.300 -0.181 0.000 0.989 118 D CA 1.685 55.614 54.000 -0.118 0.000 0.827 118 D CB -0.454 40.301 40.800 -0.075 0.000 0.966 118 D HN 0.410 nan 8.370 nan 0.000 0.456 119 A N 0.460 123.059 122.820 -0.368 0.000 1.898 119 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 119 A C 2.133 179.597 177.584 -0.199 0.000 1.181 119 A CA 1.681 53.506 52.037 -0.354 0.000 0.620 119 A CB -0.538 18.046 19.000 -0.694 0.000 0.819 119 A HN 0.187 nan 8.150 nan 0.000 0.442 120 M N -0.177 119.313 119.600 -0.184 0.000 2.213 120 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 120 M C 1.754 178.012 176.300 -0.069 0.000 1.062 120 M CA 1.460 56.699 55.300 -0.102 0.000 1.105 120 M CB -0.367 32.184 32.600 -0.081 0.000 1.385 120 M HN 0.340 nan 8.290 nan 0.000 0.417 121 R N -0.006 120.452 120.500 -0.070 0.000 2.313 121 R HA 0.209 4.549 4.340 -0.000 0.000 0.199 121 R C 1.006 177.285 176.300 -0.035 0.000 0.958 121 R CA 0.267 56.341 56.100 -0.042 0.000 1.047 121 R CB -0.318 29.962 30.300 -0.034 0.000 0.955 121 R HN 0.468 nan 8.270 nan 0.000 0.481 122 G N 1.044 109.818 108.800 -0.044 0.000 2.557 122 G HA2 0.124 4.084 3.960 -0.000 0.000 0.292 122 G HA3 0.124 4.084 3.960 -0.000 0.000 0.292 122 G C -1.493 173.395 174.900 -0.021 0.000 1.237 122 G CA -1.010 44.072 45.100 -0.029 0.000 0.978 122 G HN -0.063 nan 8.290 nan 0.000 0.498 123 P HA -0.036 nan 4.420 nan 0.000 0.226 123 P C 1.136 178.432 177.300 -0.007 0.000 1.153 123 P CA 0.641 63.737 63.100 -0.007 0.000 0.777 123 P CB 0.358 32.057 31.700 -0.002 0.000 0.794 124 R N -0.699 119.796 120.500 -0.008 0.000 2.300 124 R HA 0.182 4.522 4.340 -0.000 0.000 0.199 124 R C 1.718 178.011 176.300 -0.013 0.000 0.920 124 R CA 0.698 56.795 56.100 -0.005 0.000 1.046 124 R CB -0.559 29.744 30.300 0.005 0.000 0.984 124 R HN 0.195 nan 8.270 nan 0.000 0.493 125 G N 2.175 110.960 108.800 -0.024 0.000 2.672 125 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.324 125 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.324 125 G C 0.996 175.877 174.900 -0.032 0.000 1.286 125 G CA 0.648 45.730 45.100 -0.031 0.000 1.004 125 G HN 0.261 nan 8.290 nan 0.000 0.548 126 L N 0.383 121.593 121.223 -0.022 0.000 2.081 126 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 126 L C 3.022 179.887 176.870 -0.008 0.000 1.080 126 L CA 2.281 57.110 54.840 -0.017 0.000 0.754 126 L CB -0.517 41.533 42.059 -0.015 0.000 0.893 126 L HN 0.537 nan 8.230 nan 0.000 0.433 127 K N 0.020 120.418 120.400 -0.004 0.000 2.097 127 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 127 K C 2.220 178.837 176.600 0.029 0.000 1.049 127 K CA 1.351 57.643 56.287 0.008 0.000 0.933 127 K CB -0.240 32.264 32.500 0.008 0.000 0.717 127 K HN 0.312 nan 8.250 nan 0.000 0.442 128 A N 0.838 123.669 122.820 0.018 0.000 1.968 128 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 128 A C 2.304 179.924 177.584 0.060 0.000 1.169 128 A CA 0.882 52.943 52.037 0.039 0.000 0.638 128 A CB -0.344 18.648 19.000 -0.012 0.000 0.812 128 A HN 0.044 nan 8.150 nan 0.000 0.446 129 V N -0.518 119.395 119.914 -0.001 0.000 2.307 129 V HA 0.189 4.309 4.120 -0.000 0.000 0.245 129 V C 1.585 177.794 176.094 0.192 0.000 1.045 129 V CA 1.327 63.640 62.300 0.022 0.000 1.024 129 V CB -1.761 30.054 31.823 -0.013 0.000 0.651 129 V HN 1.252 nan 8.190 nan 0.000 0.449 130 G N 0.250 109.108 108.800 0.096 0.000 2.730 130 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.686 130 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.686 130 G C -1.804 173.064 174.900 -0.055 0.000 1.343 130 G CA -0.111 45.020 45.100 0.052 0.000 0.826 130 G HN 0.291 nan 8.290 nan 0.000 0.582 131 P HA 0.212 nan 4.420 nan 0.000 0.257 131 P C 0.194 177.230 177.300 -0.440 0.000 1.325 131 P CA 0.675 63.545 63.100 -0.383 0.000 0.850 131 P CB -0.008 31.390 31.700 -0.503 0.000 1.324 132 Y N -1.586 118.723 120.300 0.016 0.000 2.481 132 Y HA 0.126 4.675 4.550 -0.000 0.000 0.247 132 Y C 2.189 178.090 175.900 0.002 0.000 1.151 132 Y CA -0.178 57.913 58.100 -0.015 0.000 1.238 132 Y CB -0.279 38.075 38.460 -0.178 0.000 1.179 132 Y HN -0.271 nan 8.280 nan 0.000 0.524 133 V N -1.261 118.757 119.914 0.173 0.000 2.548 133 V HA -0.201 3.919 4.120 -0.000 0.000 0.249 133 V C 2.100 178.270 176.094 0.127 0.000 1.055 133 V CA 1.412 63.818 62.300 0.176 0.000 1.065 133 V CB -0.603 31.379 31.823 0.266 0.000 0.681 133 V HN 0.221 nan 8.190 nan 0.000 0.462 134 V N 1.259 121.239 119.914 0.110 0.000 2.332 134 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 134 V C 2.786 178.931 176.094 0.084 0.000 1.055 134 V CA 2.671 65.024 62.300 0.088 0.000 1.038 134 V CB -1.213 30.652 31.823 0.069 0.000 0.651 134 V HN 0.828 nan 8.190 nan 0.000 0.450 135 T N -2.511 112.110 114.554 0.111 0.000 3.023 135 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 135 T C 1.717 176.438 174.700 0.034 0.000 1.093 135 T CA 0.958 63.109 62.100 0.086 0.000 1.129 135 T CB -0.170 68.787 68.868 0.148 0.000 0.899 135 T HN 0.472 nan 8.240 nan 0.000 0.491 136 K N 1.141 121.532 120.400 -0.016 0.000 2.098 136 K HA 0.388 4.708 4.320 -0.000 0.000 0.203 136 K C 1.611 178.221 176.600 0.018 0.000 1.051 136 K CA 0.706 56.912 56.287 -0.135 0.000 0.957 136 K CB -0.056 32.147 32.500 -0.494 0.000 0.738 136 K HN 0.472 nan 8.250 nan 0.000 0.447 137 A N 1.260 124.130 122.820 0.083 0.000 2.450 137 A HA 0.609 4.929 4.320 -0.000 0.000 0.281 137 A C 0.020 177.651 177.584 0.079 0.000 1.372 137 A CA -0.212 51.895 52.037 0.117 0.000 0.886 137 A CB 0.281 19.364 19.000 0.138 0.000 1.462 137 A HN 0.409 nan 8.150 nan 0.000 0.514 138 M N -2.739 116.905 119.600 0.073 0.000 4.047 138 M HA -0.032 4.448 4.480 -0.000 0.000 0.157 138 M C 0.148 176.483 176.300 0.059 0.000 1.532 138 M CA 0.538 55.874 55.300 0.059 0.000 1.097 138 M CB -1.232 31.400 32.600 0.053 0.000 1.346 138 M HN 1.982 nan 8.290 nan 0.000 0.190 139 A N 3.353 126.207 122.820 0.057 0.000 2.076 139 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 139 A C 1.683 179.305 177.584 0.063 0.000 1.160 139 A CA 2.083 54.156 52.037 0.061 0.000 0.653 139 A CB -0.605 18.429 19.000 0.056 0.000 0.801 139 A HN 1.728 nan 8.150 nan 0.000 0.455 140 S N -1.234 114.502 115.700 0.060 0.000 2.597 140 S HA 0.322 4.792 4.470 -0.000 0.000 0.224 140 S C 1.631 176.265 174.600 0.058 0.000 0.955 140 S CA 0.538 58.779 58.200 0.067 0.000 0.933 140 S CB -0.212 63.030 63.200 0.070 0.000 0.788 140 S HN 0.564 nan 8.310 nan 0.000 0.488 141 G N 2.386 111.217 108.800 0.052 0.000 2.513 141 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 141 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 141 G C 1.310 176.237 174.900 0.045 0.000 1.160 141 G CA 1.318 46.443 45.100 0.041 0.000 0.767 141 G HN 0.467 nan 8.290 nan 0.000 0.571 142 V N 1.757 121.704 119.914 0.055 0.000 2.332 142 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 142 V C 3.289 179.426 176.094 0.072 0.000 1.055 142 V CA 2.579 64.918 62.300 0.065 0.000 1.038 142 V CB -0.544 31.317 31.823 0.064 0.000 0.651 142 V HN 0.653 nan 8.190 nan 0.000 0.450 143 S N 0.616 116.356 115.700 0.066 0.000 2.371 143 S HA -0.040 4.430 4.470 -0.000 0.000 0.224 143 S C 2.111 176.748 174.600 0.062 0.000 1.029 143 S CA 1.077 59.314 58.200 0.062 0.000 0.978 143 S CB -0.442 62.798 63.200 0.067 0.000 0.833 143 S HN 0.547 nan 8.310 nan 0.000 0.466 144 A N 0.954 123.804 122.820 0.050 0.000 1.898 144 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 144 A C 2.389 179.981 177.584 0.014 0.000 1.181 144 A CA 1.430 53.481 52.037 0.023 0.000 0.620 144 A CB -1.480 17.521 19.000 0.002 0.000 0.819 144 A HN 0.682 nan 8.150 nan 0.000 0.442 145 C N -1.150 118.169 119.300 0.031 0.000 2.437 145 C HA 0.086 4.546 4.460 -0.000 0.000 0.283 145 C C 2.321 177.394 174.990 0.137 0.000 1.424 145 C CA 0.820 59.862 59.018 0.041 0.000 1.782 145 C CB -1.309 26.456 27.740 0.042 0.000 1.833 145 C HN 0.536 nan 8.230 nan 0.000 0.532 146 L N 0.232 121.568 121.223 0.187 0.000 2.362 146 L HA 0.251 4.591 4.340 -0.000 0.000 0.204 146 L C 2.626 179.678 176.870 0.304 0.000 1.060 146 L CA 1.518 56.560 54.840 0.337 0.000 0.827 146 L CB -1.086 41.134 42.059 0.268 0.000 1.027 146 L HN 0.156 nan 8.230 nan 0.000 0.474 147 A N -0.736 122.185 122.820 0.168 0.000 1.908 147 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 147 A C 2.294 179.957 177.584 0.132 0.000 1.181 147 A CA 2.486 54.610 52.037 0.146 0.000 0.627 147 A CB -1.010 18.044 19.000 0.091 0.000 0.818 147 A HN 0.413 nan 8.150 nan 0.000 0.445 148 T N 0.557 115.154 114.554 0.071 0.000 2.614 148 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 148 T C -0.046 174.661 174.700 0.013 0.000 1.055 148 T CA 1.687 63.799 62.100 0.021 0.000 1.162 148 T CB -1.213 67.616 68.868 -0.065 0.000 0.863 148 T HN 0.518 nan 8.240 nan 0.000 0.414 149 P HA -0.019 nan 4.420 nan 0.000 0.220 149 P C 0.785 177.966 177.300 -0.199 0.000 1.148 149 P CA 1.091 64.125 63.100 -0.111 0.000 0.803 149 P CB -0.288 31.340 31.700 -0.119 0.000 0.782 150 F N 0.405 120.400 119.950 0.075 0.000 2.773 150 F HA 0.211 4.738 4.527 -0.000 0.000 0.304 150 F C 1.012 176.843 175.800 0.053 0.000 1.129 150 F CA -0.054 57.983 58.000 0.063 0.000 1.378 150 F CB -0.390 38.592 39.000 -0.029 0.000 1.095 150 F HN -0.217 nan 8.300 nan 0.000 0.565 151 K N 0.792 121.267 120.400 0.126 0.000 3.077 151 K HA -0.197 4.123 4.320 -0.000 0.000 0.264 151 K C -0.437 176.188 176.600 0.041 0.000 1.008 151 K CA 0.032 56.348 56.287 0.047 0.000 0.740 151 K CB -1.699 30.759 32.500 -0.070 0.000 1.273 151 K HN 0.146 nan 8.250 nan 0.000 0.477 152 I N 0.984 121.655 120.570 0.168 0.000 2.496 152 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 152 I C 1.750 178.034 176.117 0.280 0.000 1.080 152 I CA 0.498 61.913 61.300 0.192 0.000 1.404 152 I CB 0.628 38.742 38.000 0.189 0.000 1.403 152 I HN 0.264 nan 8.210 nan 0.000 0.539 153 H N 3.107 122.221 119.070 0.073 0.000 3.046 153 H HA 0.179 4.735 4.556 -0.000 0.000 0.262 153 H C 1.346 176.693 175.328 0.030 0.000 1.044 153 H CA 0.010 56.084 56.048 0.043 0.000 1.209 153 H CB 1.376 31.158 29.762 0.034 0.000 1.507 153 H HN 0.767 nan 8.280 nan 0.000 0.507 154 G N 0.778 109.669 108.800 0.151 0.000 2.735 154 G HA2 0.134 4.094 3.960 -0.000 0.000 0.192 154 G HA3 0.134 4.094 3.960 -0.000 0.000 0.192 154 G C -0.145 174.772 174.900 0.027 0.000 1.547 154 G CA -0.351 44.790 45.100 0.068 0.000 1.080 154 G HN 0.075 nan 8.290 nan 0.000 0.569 155 V N 0.882 120.780 119.914 -0.027 0.000 2.872 155 V HA 0.351 4.471 4.120 -0.000 0.000 0.307 155 V C -0.359 175.640 176.094 -0.159 0.000 1.072 155 V CA 0.125 62.366 62.300 -0.098 0.000 1.148 155 V CB 1.243 32.963 31.823 -0.172 0.000 0.954 155 V HN 0.785 nan 8.190 nan 0.000 0.490 156 N N 5.037 123.629 118.700 -0.180 0.000 2.629 156 N HA 0.434 5.174 4.740 -0.000 0.000 0.277 156 N C -1.312 174.186 175.510 -0.020 0.000 1.188 156 N CA -0.426 52.555 53.050 -0.116 0.000 0.835 156 N CB 1.026 39.519 38.487 0.011 0.000 1.420 156 N HN 0.694 nan 8.380 nan 0.000 0.542 157 Y N -1.150 119.171 120.300 0.035 0.000 2.818 157 Y HA 0.677 5.227 4.550 -0.000 0.000 0.341 157 Y C -1.173 174.746 175.900 0.031 0.000 1.283 157 Y CA -1.183 56.935 58.100 0.029 0.000 1.075 157 Y CB 0.533 39.006 38.460 0.023 0.000 1.370 157 Y HN 0.093 nan 8.280 nan 0.000 0.448 158 S N 1.302 117.198 115.700 0.327 0.000 2.482 158 S HA 0.697 5.167 4.470 -0.000 0.000 0.303 158 S C -0.911 173.814 174.600 0.209 0.000 1.091 158 S CA -0.694 57.633 58.200 0.211 0.000 1.057 158 S CB 1.043 64.320 63.200 0.127 0.000 1.031 158 S HN 0.509 nan 8.310 nan 0.000 0.485 159 I N 2.652 123.330 120.570 0.180 0.000 2.525 159 I HA 0.510 4.680 4.170 -0.000 0.000 0.301 159 I C -0.056 176.122 176.117 0.102 0.000 0.992 159 I CA -0.414 60.961 61.300 0.125 0.000 1.162 159 I CB 1.967 40.054 38.000 0.146 0.000 1.332 159 I HN 0.682 nan 8.210 nan 0.000 0.458 160 S N 2.260 118.005 115.700 0.075 0.000 2.547 160 S HA 0.656 5.125 4.470 -0.000 0.000 0.281 160 S C -0.442 174.207 174.600 0.082 0.000 1.118 160 S CA -0.548 57.704 58.200 0.086 0.000 0.947 160 S CB 1.762 65.010 63.200 0.079 0.000 1.053 160 S HN 0.655 nan 8.310 nan 0.000 0.482 161 S N 0.730 116.503 115.700 0.121 0.000 2.646 161 S HA 0.656 5.126 4.470 -0.000 0.000 0.217 161 S C 0.679 175.367 174.600 0.146 0.000 0.836 161 S CA -0.131 58.153 58.200 0.140 0.000 1.094 161 S CB -0.457 62.868 63.200 0.207 0.000 1.557 161 S HN 2.334 nan 8.310 nan 0.000 0.449 162 A N 0.943 123.839 122.820 0.127 0.000 5.391 162 A HA -0.360 3.960 4.320 -0.000 0.000 0.315 162 A C 1.750 179.354 177.584 0.035 0.000 1.874 162 A CA 1.449 53.551 52.037 0.109 0.000 0.714 162 A CB -2.316 16.763 19.000 0.132 0.000 1.335 162 A HN 1.631 nan 8.150 nan 0.000 0.382 163 C N 0.098 119.384 119.300 -0.024 0.000 2.449 163 C HA 0.372 4.832 4.460 -0.000 0.000 0.283 163 C C 2.737 177.725 174.990 -0.004 0.000 1.453 163 C CA 1.151 60.147 59.018 -0.037 0.000 1.779 163 C CB -1.943 25.853 27.740 0.093 0.000 1.779 163 C HN 1.494 nan 8.230 nan 0.000 0.546 164 A N 0.454 123.291 122.820 0.029 0.000 2.267 164 A HA 0.134 4.454 4.320 -0.000 0.000 0.213 164 A C 1.926 179.546 177.584 0.061 0.000 1.192 164 A CA 0.988 53.025 52.037 0.001 0.000 0.851 164 A CB -0.692 18.325 19.000 0.028 0.000 0.881 164 A HN 0.453 nan 8.150 nan 0.000 0.494 165 T N 1.515 116.136 114.554 0.112 0.000 2.481 165 T HA -0.288 4.062 4.350 -0.000 0.000 0.252 165 T C 2.235 176.988 174.700 0.090 0.000 1.242 165 T CA 2.841 65.017 62.100 0.127 0.000 1.170 165 T CB -0.590 68.322 68.868 0.072 0.000 0.860 165 T HN 0.810 nan 8.240 nan 0.000 0.422 166 S N 1.485 117.195 115.700 0.017 0.000 2.481 166 S HA 0.210 4.680 4.470 -0.000 0.000 0.231 166 S C 2.268 176.840 174.600 -0.046 0.000 0.996 166 S CA 0.766 58.958 58.200 -0.013 0.000 0.942 166 S CB -0.410 62.764 63.200 -0.044 0.000 0.768 166 S HN 0.581 nan 8.310 nan 0.000 0.520 167 A N 1.788 124.565 122.820 -0.071 0.000 1.897 167 A HA 0.006 4.325 4.320 -0.000 0.000 0.215 167 A C 1.908 179.425 177.584 -0.112 0.000 1.181 167 A CA 1.310 53.273 52.037 -0.122 0.000 0.620 167 A CB -0.988 17.914 19.000 -0.165 0.000 0.821 167 A HN 0.653 nan 8.150 nan 0.000 0.443 168 H N -1.496 117.601 119.070 0.044 0.000 2.389 168 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 168 H C 2.216 177.526 175.328 -0.031 0.000 1.081 168 H CA 1.454 57.550 56.048 0.081 0.000 1.345 168 H CB -0.204 29.638 29.762 0.133 0.000 1.393 168 H HN 0.532 nan 8.280 nan 0.000 0.520 169 C N 0.257 119.612 119.300 0.091 0.000 2.413 169 C HA -0.160 4.300 4.460 -0.000 0.000 0.276 169 C C 2.704 177.647 174.990 -0.079 0.000 1.236 169 C CA 0.931 59.966 59.018 0.029 0.000 1.735 169 C CB -0.880 26.872 27.740 0.020 0.000 2.031 169 C HN 0.522 nan 8.230 nan 0.000 0.474 170 I N 1.030 121.518 120.570 -0.136 0.000 2.163 170 I HA -0.143 4.027 4.170 -0.000 0.000 0.243 170 I C 2.706 178.616 176.117 -0.344 0.000 1.085 170 I CA 1.882 63.060 61.300 -0.202 0.000 1.347 170 I CB -0.881 37.006 38.000 -0.188 0.000 1.044 170 I HN 0.465 nan 8.210 nan 0.000 0.408 171 G N 0.286 108.714 108.800 -0.620 0.000 2.422 171 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 171 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 171 G C 1.474 175.953 174.900 -0.702 0.000 1.146 171 G CA 0.710 44.976 45.100 -1.390 0.000 0.769 171 G HN 0.380 nan 8.290 nan 0.000 0.547 172 N N 0.991 119.521 118.700 -0.284 0.000 2.244 172 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 172 N C 2.535 178.018 175.510 -0.046 0.000 1.016 172 N CA 1.032 54.074 53.050 -0.014 0.000 0.866 172 N CB -0.086 38.472 38.487 0.118 0.000 0.980 172 N HN 0.249 nan 8.380 nan 0.000 0.430 173 A N 0.773 123.526 122.820 -0.112 0.000 1.902 173 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 173 A C 2.453 179.969 177.584 -0.112 0.000 1.181 173 A CA 1.153 53.119 52.037 -0.118 0.000 0.623 173 A CB -0.765 18.150 19.000 -0.142 0.000 0.818 173 A HN 0.167 nan 8.150 nan 0.000 0.443 174 V N 0.155 119.985 119.914 -0.140 0.000 2.343 174 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 174 V C 2.402 178.476 176.094 -0.033 0.000 1.051 174 V CA 2.366 64.608 62.300 -0.096 0.000 1.036 174 V CB -0.873 30.882 31.823 -0.112 0.000 0.654 174 V HN 0.653 nan 8.190 nan 0.000 0.451 175 E N -0.568 119.631 120.200 -0.002 0.000 2.110 175 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 175 E C 2.389 179.004 176.600 0.026 0.000 0.988 175 E CA 1.106 57.537 56.400 0.050 0.000 0.804 175 E CB -0.146 29.617 29.700 0.105 0.000 0.745 175 E HN 0.559 nan 8.360 nan 0.000 0.458 176 Q N 0.163 119.966 119.800 0.004 0.000 2.084 176 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 176 Q C 2.260 178.245 176.000 -0.025 0.000 0.978 176 Q CA 1.019 56.818 55.803 -0.007 0.000 0.844 176 Q CB -0.187 28.531 28.738 -0.033 0.000 0.898 176 Q HN 0.291 nan 8.270 nan 0.000 0.426 177 I N 1.065 121.610 120.570 -0.043 0.000 2.252 177 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 177 I C 2.381 178.485 176.117 -0.021 0.000 1.102 177 I CA 1.312 62.583 61.300 -0.048 0.000 1.385 177 I CB -0.402 37.559 38.000 -0.065 0.000 1.064 177 I HN 0.193 nan 8.210 nan 0.000 0.414 178 Q N -0.269 119.528 119.800 -0.004 0.000 2.124 178 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 178 Q C 2.127 178.135 176.000 0.014 0.000 0.977 178 Q CA 1.225 57.034 55.803 0.011 0.000 0.850 178 Q CB -0.224 28.531 28.738 0.029 0.000 0.901 178 Q HN 0.456 nan 8.270 nan 0.000 0.429 179 L N -0.576 120.656 121.223 0.015 0.000 2.610 179 L HA 0.042 4.382 4.340 -0.000 0.000 0.232 179 L C 1.183 178.058 176.870 0.009 0.000 1.149 179 L CA 0.456 55.306 54.840 0.017 0.000 0.872 179 L CB -0.245 41.829 42.059 0.024 0.000 0.992 179 L HN 0.453 nan 8.230 nan 0.000 0.447 180 G N -0.000 108.800 108.800 0.001 0.000 2.155 180 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 180 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 180 G C 1.036 175.932 174.900 -0.007 0.000 0.983 180 G CA 0.644 45.742 45.100 -0.003 0.000 0.676 180 G HN 0.417 nan 8.290 nan 0.000 0.528 181 K N -0.830 119.566 120.400 -0.007 0.000 2.243 181 K HA 0.097 4.417 4.320 -0.000 0.000 0.201 181 K C 0.855 177.441 176.600 -0.024 0.000 1.051 181 K CA 0.792 57.075 56.287 -0.007 0.000 0.970 181 K CB 0.096 32.600 32.500 0.006 0.000 0.755 181 K HN 0.436 nan 8.250 nan 0.000 0.465 182 Q N -0.063 119.708 119.800 -0.049 0.000 2.345 182 Q HA 0.138 4.478 4.340 -0.000 0.000 0.275 182 Q C -0.595 175.326 176.000 -0.133 0.000 1.063 182 Q CA -0.330 55.422 55.803 -0.085 0.000 0.819 182 Q CB 2.053 30.733 28.738 -0.097 0.000 1.356 182 Q HN -0.029 nan 8.270 nan 0.000 0.418 183 D N 0.594 120.872 120.400 -0.202 0.000 2.301 183 D HA 0.227 4.867 4.640 -0.000 0.000 0.206 183 D C 0.283 176.345 176.300 -0.395 0.000 0.979 183 D CA 0.895 54.694 54.000 -0.335 0.000 0.874 183 D CB 1.182 41.635 40.800 -0.579 0.000 0.968 183 D HN 0.380 nan 8.370 nan 0.000 0.510 184 I N 0.518 120.874 120.570 -0.357 0.000 2.656 184 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 184 I C -1.205 174.678 176.117 -0.391 0.000 1.144 184 I CA -0.754 60.300 61.300 -0.409 0.000 1.038 184 I CB 3.337 41.033 38.000 -0.507 0.000 1.244 184 I HN -0.418 nan 8.210 nan 0.000 0.420 185 V N 5.874 125.539 119.914 -0.414 0.000 2.525 185 V HA 0.400 4.520 4.120 -0.000 0.000 0.299 185 V C -0.677 175.197 176.094 -0.367 0.000 1.034 185 V CA -0.613 61.497 62.300 -0.317 0.000 0.863 185 V CB 1.672 33.377 31.823 -0.196 0.000 0.999 185 V HN 0.377 nan 8.190 nan 0.000 0.423 186 F N 3.330 123.176 119.950 -0.172 0.000 2.438 186 F HA 0.668 5.195 4.527 0.000 0.000 0.356 186 F C 0.741 176.438 175.800 -0.172 0.000 1.099 186 F CA 0.002 57.882 58.000 -0.200 0.000 1.185 186 F CB 1.099 39.941 39.000 -0.264 0.000 1.115 186 F HN 0.572 nan 8.300 nan 0.000 0.526 187 A N 2.533 125.348 122.820 -0.009 0.000 2.393 187 A HA 0.915 5.235 4.320 -0.000 0.000 0.306 187 A C -0.076 177.474 177.584 -0.055 0.000 1.050 187 A CA 0.101 52.109 52.037 -0.049 0.000 0.724 187 A CB 1.388 20.332 19.000 -0.092 0.000 1.248 187 A HN 0.999 nan 8.150 nan 0.000 0.424 188 G N -0.034 108.739 108.800 -0.044 0.000 2.485 188 G HA2 0.784 4.744 3.960 -0.000 0.000 0.182 188 G HA3 0.784 4.744 3.960 -0.000 0.000 0.182 188 G C -0.109 174.777 174.900 -0.022 0.000 1.172 188 G CA 0.423 45.493 45.100 -0.050 0.000 0.996 188 G HN 2.309 nan 8.290 nan 0.000 0.496 189 G N -2.216 106.576 108.800 -0.015 0.000 2.320 189 G HA2 0.773 4.733 3.960 -0.000 0.000 0.296 189 G HA3 0.773 4.733 3.960 -0.000 0.000 0.296 189 G C -0.549 174.370 174.900 0.031 0.000 1.306 189 G CA 0.667 45.775 45.100 0.014 0.000 0.836 189 G HN 2.073 nan 8.290 nan 0.000 0.517 190 G N -1.349 107.486 108.800 0.057 0.000 2.660 190 G HA2 0.709 4.669 3.960 -0.000 0.000 0.290 190 G HA3 0.709 4.669 3.960 -0.000 0.000 0.290 190 G C -1.945 173.017 174.900 0.104 0.000 1.432 190 G CA -0.211 44.954 45.100 0.107 0.000 0.807 190 G HN 0.776 nan 8.290 nan 0.000 0.485 191 E N -0.369 119.929 120.200 0.164 0.000 2.347 191 E HA 0.356 4.706 4.350 -0.000 0.000 0.285 191 E C -0.294 176.427 176.600 0.202 0.000 0.925 191 E CA -0.662 55.815 56.400 0.129 0.000 0.779 191 E CB 1.515 31.253 29.700 0.063 0.000 1.233 191 E HN 0.719 nan 8.360 nan 0.000 0.414 192 E N 3.089 123.367 120.200 0.131 0.000 2.371 192 E HA 0.427 4.777 4.350 -0.000 0.000 0.257 192 E C -0.781 175.894 176.600 0.125 0.000 1.134 192 E CA -0.836 55.637 56.400 0.121 0.000 0.919 192 E CB 1.169 30.896 29.700 0.045 0.000 1.025 192 E HN 0.250 nan 8.360 nan 0.000 0.438 193 L N 2.189 123.470 121.223 0.096 0.000 2.372 193 L HA 0.472 4.812 4.340 -0.000 0.000 0.274 193 L C -1.355 175.586 176.870 0.118 0.000 0.988 193 L CA -0.394 54.486 54.840 0.067 0.000 0.833 193 L CB 0.970 42.950 42.059 -0.132 0.000 1.236 193 L HN 0.939 nan 8.230 nan 0.000 0.410 194 C N 2.249 121.676 119.300 0.212 0.000 3.284 194 C HA 0.447 4.907 4.460 -0.000 0.000 0.338 194 C C 1.046 176.157 174.990 0.201 0.000 1.237 194 C CA -0.932 58.200 59.018 0.191 0.000 1.276 194 C CB 0.666 28.378 27.740 -0.047 0.000 1.601 194 C HN 1.061 nan 8.230 nan 0.000 0.494 195 W N 0.990 122.402 121.300 0.188 0.000 2.402 195 W HA 0.027 4.687 4.660 -0.000 0.000 0.286 195 W C 1.052 177.634 176.519 0.106 0.000 1.221 195 W CA 1.771 59.186 57.345 0.116 0.000 1.257 195 W CB -1.056 28.429 29.460 0.041 0.000 1.120 195 W HN 0.874 nan 8.180 nan 0.000 0.551 196 E N 0.933 120.534 120.200 -0.997 0.000 2.070 196 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 196 E C 2.353 178.808 176.600 -0.242 0.000 1.004 196 E CA 2.856 58.685 56.400 -0.952 0.000 0.805 196 E CB -0.746 28.416 29.700 -0.896 0.000 0.744 196 E HN 0.365 nan 8.360 nan 0.000 0.451 197 M N -0.583 118.969 119.600 -0.080 0.000 2.357 197 M HA 0.103 4.583 4.480 -0.000 0.000 0.266 197 M C 2.079 178.545 176.300 0.277 0.000 1.095 197 M CA 1.213 56.577 55.300 0.106 0.000 1.156 197 M CB 0.123 32.824 32.600 0.168 0.000 1.365 197 M HN 0.155 nan 8.290 nan 0.000 0.447 198 A N 0.480 123.481 122.820 0.301 0.000 1.940 198 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 198 A C 2.317 180.096 177.584 0.325 0.000 1.176 198 A CA 1.822 54.084 52.037 0.374 0.000 0.631 198 A CB -1.724 17.463 19.000 0.312 0.000 0.814 198 A HN 0.878 nan 8.150 nan 0.000 0.446 199 C N -0.660 118.803 119.300 0.270 0.000 2.432 199 C HA -0.021 4.439 4.460 -0.000 0.000 0.280 199 C C 2.133 177.209 174.990 0.142 0.000 1.353 199 C CA 0.896 60.047 59.018 0.221 0.000 1.766 199 C CB -1.505 26.404 27.740 0.282 0.000 1.924 199 C HN 0.661 nan 8.230 nan 0.000 0.509 200 E N 0.540 120.794 120.200 0.091 0.000 2.106 200 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 200 E C 1.737 178.271 176.600 -0.110 0.000 0.984 200 E CA 1.363 57.727 56.400 -0.061 0.000 0.806 200 E CB -0.316 29.275 29.700 -0.182 0.000 0.750 200 E HN 0.750 nan 8.360 nan 0.000 0.458 201 F N 1.277 121.304 119.950 0.127 0.000 2.163 201 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 201 F C 2.226 178.049 175.800 0.038 0.000 1.094 201 F CA 1.085 59.163 58.000 0.129 0.000 1.290 201 F CB -0.207 38.894 39.000 0.168 0.000 1.017 201 F HN -0.040 nan 8.300 nan 0.000 0.483 202 D N 0.310 120.823 120.400 0.188 0.000 2.117 202 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 202 D C 2.230 178.569 176.300 0.065 0.000 0.987 202 D CA 1.293 55.348 54.000 0.092 0.000 0.829 202 D CB -0.290 40.563 40.800 0.088 0.000 0.961 202 D HN 0.158 nan 8.370 nan 0.000 0.460 203 A N -0.072 122.784 122.820 0.059 0.000 2.125 203 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 203 A C 2.202 179.796 177.584 0.016 0.000 1.156 203 A CA 1.036 53.091 52.037 0.030 0.000 0.671 203 A CB -0.580 18.432 19.000 0.020 0.000 0.794 203 A HN 0.358 nan 8.150 nan 0.000 0.459 204 M N -1.711 117.905 119.600 0.027 0.000 2.502 204 M HA 0.209 4.689 4.480 -0.000 0.000 0.243 204 M C 1.225 177.557 176.300 0.054 0.000 1.130 204 M CA 0.891 56.204 55.300 0.022 0.000 1.055 204 M CB 0.325 32.940 32.600 0.025 0.000 1.457 204 M HN 0.600 nan 8.290 nan 0.000 0.488 205 G N 0.167 109.001 108.800 0.056 0.000 2.143 205 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.248 205 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.248 205 G C 0.671 175.615 174.900 0.074 0.000 0.991 205 G CA 0.476 45.607 45.100 0.051 0.000 0.689 205 G HN 0.607 nan 8.290 nan 0.000 0.522 206 A N -0.838 122.045 122.820 0.106 0.000 2.132 206 A HA 0.645 4.965 4.320 -0.000 0.000 0.213 206 A C 1.268 178.754 177.584 -0.164 0.000 1.154 206 A CA 0.699 52.818 52.037 0.136 0.000 0.753 206 A CB 0.119 19.379 19.000 0.433 0.000 0.826 206 A HN 0.635 nan 8.150 nan 0.000 0.469 207 L N 0.318 121.403 121.223 -0.230 0.000 2.357 207 L HA 0.320 4.660 4.340 -0.000 0.000 0.273 207 L C 0.823 177.622 176.870 -0.118 0.000 1.080 207 L CA -0.558 54.076 54.840 -0.343 0.000 0.803 207 L CB 1.502 43.412 42.059 -0.250 0.000 1.174 207 L HN 0.214 nan 8.230 nan 0.000 0.443 208 S N 0.353 116.013 115.700 -0.067 0.000 2.549 208 S HA 0.102 4.572 4.470 -0.000 0.000 0.286 208 S C 0.744 175.363 174.600 0.032 0.000 1.314 208 S CA 0.225 58.455 58.200 0.051 0.000 1.062 208 S CB 0.525 63.798 63.200 0.122 0.000 0.865 208 S HN 0.833 nan 8.310 nan 0.000 0.498 209 T N 1.209 115.777 114.554 0.023 0.000 3.087 209 T HA 0.355 4.705 4.350 -0.000 0.000 0.283 209 T C 0.823 175.463 174.700 -0.100 0.000 0.956 209 T CA -0.466 61.602 62.100 -0.054 0.000 0.894 209 T CB -0.104 68.715 68.868 -0.081 0.000 1.160 209 T HN 0.617 nan 8.240 nan 0.000 0.532 210 K N 0.203 120.534 120.400 -0.116 0.000 2.393 210 K HA 0.238 4.558 4.320 -0.000 0.000 0.193 210 K C -0.282 176.027 176.600 -0.486 0.000 1.026 210 K CA 0.336 56.416 56.287 -0.345 0.000 1.064 210 K CB 0.181 32.368 32.500 -0.523 0.000 0.833 210 K HN 0.465 nan 8.250 nan 0.000 0.521 211 Y N -0.071 120.225 120.300 -0.007 0.000 2.734 211 Y HA 0.221 4.771 4.550 -0.000 0.000 0.278 211 Y C 0.593 176.515 175.900 0.037 0.000 1.108 211 Y CA -0.570 57.541 58.100 0.019 0.000 1.211 211 Y CB -0.287 38.193 38.460 0.034 0.000 1.182 211 Y HN 0.071 nan 8.280 nan 0.000 0.547 212 N N 0.502 119.271 118.700 0.115 0.000 2.364 212 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 212 N C 0.776 176.397 175.510 0.185 0.000 1.022 212 N CA 1.175 54.323 53.050 0.162 0.000 0.883 212 N CB 0.107 38.640 38.487 0.076 0.000 0.965 212 N HN 0.394 nan 8.380 nan 0.000 0.438 213 D N -0.203 120.263 120.400 0.109 0.000 2.333 213 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 213 D C 0.637 176.986 176.300 0.081 0.000 0.984 213 D CA 0.966 55.004 54.000 0.063 0.000 0.873 213 D CB 0.223 41.038 40.800 0.025 0.000 0.935 213 D HN 0.297 nan 8.370 nan 0.000 0.521 214 T N -1.635 113.001 114.554 0.136 0.000 3.410 214 T HA 0.324 4.674 4.350 -0.000 0.000 0.328 214 T C -2.307 172.479 174.700 0.144 0.000 1.567 214 T CA -1.712 60.466 62.100 0.130 0.000 1.626 214 T CB 1.833 70.788 68.868 0.144 0.000 0.939 214 T HN -0.298 nan 8.240 nan 0.000 0.656 215 P HA -0.212 nan 4.420 nan 0.000 0.217 215 P C 1.370 178.726 177.300 0.094 0.000 1.162 215 P CA 1.493 64.683 63.100 0.150 0.000 0.901 215 P CB 0.109 31.918 31.700 0.182 0.000 0.793 216 E N -0.701 119.541 120.200 0.071 0.000 2.401 216 E HA -0.161 4.188 4.350 -0.000 0.000 0.199 216 E C 1.291 177.884 176.600 -0.013 0.000 1.023 216 E CA 0.764 57.184 56.400 0.033 0.000 0.859 216 E CB -0.284 29.434 29.700 0.030 0.000 0.780 216 E HN 0.432 nan 8.360 nan 0.000 0.523 217 K N -0.429 119.951 120.400 -0.033 0.000 2.358 217 K HA 0.230 4.550 4.320 -0.000 0.000 0.200 217 K C 1.706 178.078 176.600 -0.378 0.000 1.030 217 K CA 0.264 56.461 56.287 -0.151 0.000 1.097 217 K CB 0.809 33.248 32.500 -0.103 0.000 0.862 217 K HN -0.020 nan 8.250 nan 0.000 0.534 218 A N 1.559 124.246 122.820 -0.221 0.000 1.877 218 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 218 A C 1.463 178.919 177.584 -0.214 0.000 1.186 218 A CA 1.213 53.107 52.037 -0.240 0.000 0.620 218 A CB -0.178 18.856 19.000 0.056 0.000 0.822 218 A HN 0.186 nan 8.150 nan 0.000 0.443 219 S N 0.767 116.404 115.700 -0.106 0.000 2.422 219 S HA 0.391 4.861 4.470 -0.000 0.000 0.283 219 S C 0.291 174.818 174.600 -0.123 0.000 1.163 219 S CA -0.580 57.577 58.200 -0.072 0.000 1.054 219 S CB -0.170 63.018 63.200 -0.020 0.000 0.967 219 S HN 0.484 nan 8.310 nan 0.000 0.499 220 R N 2.956 123.378 120.500 -0.130 0.000 2.638 220 R HA 0.203 4.543 4.340 -0.000 0.000 0.261 220 R C -0.749 175.490 176.300 -0.102 0.000 1.515 220 R CA -0.635 55.392 56.100 -0.123 0.000 1.623 220 R CB -0.832 29.367 30.300 -0.168 0.000 1.347 220 R HN 0.431 nan 8.270 nan 0.000 0.705 221 T N 2.137 116.592 114.554 -0.165 0.000 2.933 221 T HA -0.063 4.287 4.350 -0.000 0.000 0.306 221 T C 0.022 174.572 174.700 -0.250 0.000 1.045 221 T CA 0.966 62.864 62.100 -0.336 0.000 1.143 221 T CB -0.063 68.475 68.868 -0.549 0.000 1.003 221 T HN 0.537 nan 8.240 nan 0.000 0.540 222 Y N -1.231 119.066 120.300 -0.005 0.000 4.897 222 Y HA -0.213 4.337 4.550 -0.000 0.000 0.263 222 Y C 0.720 176.622 175.900 0.003 0.000 0.945 222 Y CA 0.618 58.719 58.100 0.001 0.000 1.858 222 Y CB -2.143 36.312 38.460 -0.008 0.000 1.296 222 Y HN 0.772 nan 8.280 nan 0.000 0.490 223 D N 0.443 120.910 120.400 0.111 0.000 2.304 223 D HA 0.583 5.223 4.640 -0.000 0.000 0.250 223 D C 1.236 177.588 176.300 0.088 0.000 1.107 223 D CA 0.730 54.767 54.000 0.062 0.000 0.885 223 D CB 1.316 42.122 40.800 0.011 0.000 1.192 223 D HN 0.254 nan 8.370 nan 0.000 0.436 224 A N 3.473 126.333 122.820 0.067 0.000 2.076 224 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 224 A C 1.306 179.093 177.584 0.338 0.000 1.160 224 A CA 1.325 53.455 52.037 0.155 0.000 0.653 224 A CB -0.622 18.451 19.000 0.122 0.000 0.801 224 A HN 0.834 nan 8.150 nan 0.000 0.455 225 H N -0.517 118.612 119.070 0.097 0.000 2.505 225 H HA 0.105 4.661 4.556 -0.000 0.000 0.289 225 H C 0.302 175.740 175.328 0.183 0.000 1.052 225 H CA -0.601 55.531 56.048 0.141 0.000 1.156 225 H CB 0.044 29.914 29.762 0.180 0.000 1.507 225 H HN 0.591 nan 8.280 nan 0.000 0.548 226 R N 2.048 122.683 120.500 0.225 0.000 2.623 226 R HA -0.023 4.317 4.340 -0.000 0.000 0.271 226 R C -0.455 175.954 176.300 0.181 0.000 1.043 226 R CA 0.299 56.493 56.100 0.158 0.000 1.083 226 R CB 0.366 30.712 30.300 0.077 0.000 0.974 226 R HN 0.228 nan 8.270 nan 0.000 0.436 227 D N 1.231 121.751 120.400 0.200 0.000 2.819 227 D HA 0.248 4.888 4.640 -0.000 0.000 0.326 227 D C 0.156 176.526 176.300 0.117 0.000 1.408 227 D CA -0.030 54.062 54.000 0.154 0.000 0.811 227 D CB 0.499 41.394 40.800 0.158 0.000 1.148 227 D HN 0.899 nan 8.370 nan 0.000 0.457 228 G N 0.237 109.106 108.800 0.114 0.000 2.381 228 G HA2 0.230 4.190 3.960 -0.000 0.000 0.672 228 G HA3 0.230 4.190 3.960 -0.000 0.000 0.672 228 G C -0.750 174.226 174.900 0.125 0.000 1.324 228 G CA -0.683 44.479 45.100 0.103 0.000 0.975 228 G HN 0.311 nan 8.290 nan 0.000 0.593 229 F N -0.823 119.154 119.950 0.045 0.000 2.411 229 F HA 0.861 5.388 4.527 0.000 0.000 0.324 229 F C 0.166 175.992 175.800 0.043 0.000 1.086 229 F CA -1.534 56.468 58.000 0.004 0.000 1.028 229 F CB 1.451 40.422 39.000 -0.049 0.000 1.284 229 F HN 0.412 nan 8.300 nan 0.000 0.501 230 V N 3.667 123.762 119.914 0.301 0.000 2.398 230 V HA 0.282 4.402 4.120 -0.000 0.000 0.286 230 V C 0.155 176.466 176.094 0.362 0.000 1.026 230 V CA -0.865 61.554 62.300 0.198 0.000 0.868 230 V CB 1.292 33.208 31.823 0.155 0.000 0.982 230 V HN 0.841 nan 8.190 nan 0.000 0.443 231 I N 4.495 125.228 120.570 0.272 0.000 2.638 231 I HA 0.599 4.768 4.170 -0.000 0.000 0.286 231 I C 0.413 176.677 176.117 0.245 0.000 1.088 231 I CA 0.305 61.799 61.300 0.324 0.000 1.397 231 I CB 1.035 39.172 38.000 0.228 0.000 1.414 231 I HN 0.787 nan 8.210 nan 0.000 0.566 232 A N 4.872 127.779 122.820 0.144 0.000 2.527 232 A HA 0.874 5.194 4.320 -0.000 0.000 0.293 232 A C -0.597 176.980 177.584 -0.010 0.000 1.117 232 A CA -0.259 51.807 52.037 0.049 0.000 0.723 232 A CB 1.445 20.462 19.000 0.030 0.000 1.313 232 A HN 0.818 nan 8.150 nan 0.000 0.411 233 G N -1.578 107.176 108.800 -0.077 0.000 2.630 233 G HA2 0.884 4.844 3.960 -0.000 0.000 0.296 233 G HA3 0.884 4.844 3.960 -0.000 0.000 0.296 233 G C -0.118 174.675 174.900 -0.178 0.000 1.285 233 G CA -0.262 44.808 45.100 -0.050 0.000 0.958 233 G HN 2.129 nan 8.290 nan 0.000 0.479 234 G N -1.976 106.723 108.800 -0.169 0.000 2.356 234 G HA2 0.643 4.603 3.960 -0.000 0.000 0.288 234 G HA3 0.643 4.603 3.960 -0.000 0.000 0.288 234 G C -0.540 174.326 174.900 -0.058 0.000 1.302 234 G CA 0.276 45.160 45.100 -0.358 0.000 0.887 234 G HN 1.828 nan 8.290 nan 0.000 0.521 235 G N -1.842 106.913 108.800 -0.074 0.000 2.692 235 G HA2 0.992 4.952 3.960 -0.000 0.000 0.291 235 G HA3 0.992 4.952 3.960 -0.000 0.000 0.291 235 G C -0.424 174.449 174.900 -0.045 0.000 1.423 235 G CA 0.295 45.411 45.100 0.027 0.000 0.843 235 G HN 1.987 nan 8.290 nan 0.000 0.486 236 G N -1.135 107.635 108.800 -0.050 0.000 2.720 236 G HA2 0.688 4.648 3.960 -0.000 0.000 0.295 236 G HA3 0.688 4.648 3.960 -0.000 0.000 0.295 236 G C -1.695 173.152 174.900 -0.088 0.000 1.437 236 G CA -0.652 44.390 45.100 -0.096 0.000 0.886 236 G HN 0.915 nan 8.290 nan 0.000 0.509 237 M N 0.985 120.521 119.600 -0.107 0.000 2.365 237 M HA 0.621 5.101 4.480 -0.000 0.000 0.288 237 M C -1.033 175.206 176.300 -0.103 0.000 1.152 237 M CA -0.685 54.557 55.300 -0.097 0.000 0.948 237 M CB 2.276 34.806 32.600 -0.117 0.000 1.729 237 M HN 1.170 nan 8.290 nan 0.000 0.487 238 V N 1.789 121.650 119.914 -0.090 0.000 2.823 238 V HA 0.902 5.022 4.120 -0.000 0.000 0.312 238 V C -1.121 174.926 176.094 -0.078 0.000 1.072 238 V CA -0.916 61.320 62.300 -0.107 0.000 0.937 238 V CB 1.857 33.592 31.823 -0.147 0.000 1.013 238 V HN 0.600 nan 8.190 nan 0.000 0.430 239 V N 4.056 123.913 119.914 -0.095 0.000 2.368 239 V HA 0.353 4.473 4.120 -0.000 0.000 0.266 239 V C 0.184 176.148 176.094 -0.217 0.000 1.045 239 V CA -0.291 61.884 62.300 -0.210 0.000 0.899 239 V CB 1.046 32.763 31.823 -0.176 0.000 1.006 239 V HN 0.739 nan 8.190 nan 0.000 0.470 240 V N 5.108 124.863 119.914 -0.264 0.000 2.407 240 V HA 0.478 4.598 4.120 -0.000 0.000 0.278 240 V C 0.042 176.000 176.094 -0.226 0.000 1.037 240 V CA -0.362 61.819 62.300 -0.199 0.000 0.900 240 V CB 1.416 33.133 31.823 -0.177 0.000 0.983 240 V HN 0.968 nan 8.190 nan 0.000 0.459 241 E N 2.678 122.782 120.200 -0.159 0.000 2.293 241 E HA 0.327 4.677 4.350 -0.000 0.000 0.270 241 E C -0.742 175.804 176.600 -0.090 0.000 0.879 241 E CA -0.715 55.595 56.400 -0.150 0.000 0.756 241 E CB 1.763 31.400 29.700 -0.105 0.000 1.208 241 E HN 0.708 nan 8.360 nan 0.000 0.428 242 E N 3.815 123.959 120.200 -0.093 0.000 2.384 242 E HA -0.039 4.311 4.350 -0.000 0.000 0.266 242 E C 0.782 177.392 176.600 0.016 0.000 1.012 242 E CA -0.079 56.299 56.400 -0.037 0.000 0.901 242 E CB 1.093 30.773 29.700 -0.035 0.000 0.967 242 E HN 0.641 nan 8.360 nan 0.000 0.435 243 L N 5.473 126.700 121.223 0.006 0.000 2.013 243 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 243 L C 1.903 178.786 176.870 0.022 0.000 1.073 243 L CA 1.944 56.789 54.840 0.009 0.000 0.753 243 L CB -0.338 41.720 42.059 -0.001 0.000 0.890 243 L HN 0.544 nan 8.230 nan 0.000 0.432 244 E N -1.160 119.058 120.200 0.031 0.000 2.110 244 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 244 E C 2.198 178.817 176.600 0.032 0.000 0.988 244 E CA 1.189 57.603 56.400 0.024 0.000 0.804 244 E CB -0.590 29.123 29.700 0.022 0.000 0.745 244 E HN 0.669 nan 8.360 nan 0.000 0.458 245 H N 0.472 119.526 119.070 -0.026 0.000 2.353 245 H HA -0.017 4.539 4.556 -0.000 0.000 0.300 245 H C 1.798 177.109 175.328 -0.029 0.000 1.090 245 H CA 1.644 57.676 56.048 -0.027 0.000 1.327 245 H CB 0.266 30.007 29.762 -0.035 0.000 1.383 245 H HN 0.122 nan 8.280 nan 0.000 0.508 246 A N 1.130 124.010 122.820 0.100 0.000 1.855 246 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 246 A C 2.868 180.441 177.584 -0.019 0.000 1.191 246 A CA 1.169 53.230 52.037 0.040 0.000 0.613 246 A CB -0.877 18.137 19.000 0.023 0.000 0.829 246 A HN 0.392 nan 8.150 nan 0.000 0.442 247 L N -0.606 120.604 121.223 -0.021 0.000 2.046 247 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 247 L C 3.083 179.925 176.870 -0.047 0.000 1.077 247 L CA 1.071 55.892 54.840 -0.031 0.000 0.747 247 L CB -0.611 41.434 42.059 -0.024 0.000 0.896 247 L HN 0.432 nan 8.230 nan 0.000 0.432 248 A N 1.015 123.794 122.820 -0.068 0.000 1.978 248 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 248 A C 2.233 179.756 177.584 -0.101 0.000 1.170 248 A CA 1.953 53.935 52.037 -0.091 0.000 0.636 248 A CB -0.575 18.349 19.000 -0.126 0.000 0.810 248 A HN 0.602 nan 8.150 nan 0.000 0.448 249 R N -1.308 119.121 120.500 -0.118 0.000 2.388 249 R HA 0.363 4.703 4.340 -0.000 0.000 0.247 249 R C 0.923 177.198 176.300 -0.042 0.000 0.931 249 R CA 0.621 56.668 56.100 -0.089 0.000 1.082 249 R CB -0.655 29.581 30.300 -0.107 0.000 1.135 249 R HN 0.751 nan 8.270 nan 0.000 0.525 250 G N 0.793 109.572 108.800 -0.036 0.000 2.221 250 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.265 250 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.265 250 G C 0.353 175.251 174.900 -0.003 0.000 1.041 250 G CA 0.176 45.265 45.100 -0.018 0.000 0.807 250 G HN 0.727 nan 8.290 nan 0.000 0.502 251 A N -0.401 122.417 122.820 -0.004 0.000 2.448 251 A HA 0.522 4.842 4.320 -0.000 0.000 0.239 251 A C 0.489 178.083 177.584 0.017 0.000 1.080 251 A CA 0.603 52.649 52.037 0.015 0.000 0.779 251 A CB 0.227 19.233 19.000 0.009 0.000 1.026 251 A HN 1.537 nan 8.150 nan 0.000 0.499 252 H N 0.566 119.591 119.070 -0.074 0.000 2.604 252 H HA 0.531 5.087 4.556 -0.000 0.000 0.306 252 H C -0.734 174.503 175.328 -0.152 0.000 1.075 252 H CA -0.501 55.457 56.048 -0.150 0.000 1.357 252 H CB 0.179 29.808 29.762 -0.223 0.000 1.426 252 H HN 0.412 nan 8.280 nan 0.000 0.470 253 I N 7.192 127.429 120.570 -0.555 0.000 2.312 253 I HA 0.023 4.193 4.170 -0.000 0.000 0.290 253 I C 0.076 175.856 176.117 -0.562 0.000 1.008 253 I CA -0.366 60.697 61.300 -0.395 0.000 1.226 253 I CB 0.788 38.676 38.000 -0.187 0.000 1.371 253 I HN 0.772 nan 8.210 nan 0.000 0.468 254 Y N 5.238 125.303 120.300 -0.392 0.000 2.243 254 Y HA 0.216 4.766 4.550 -0.000 0.000 0.293 254 Y C 1.260 177.075 175.900 -0.141 0.000 1.124 254 Y CA 0.873 58.824 58.100 -0.249 0.000 1.159 254 Y CB 0.162 38.556 38.460 -0.110 0.000 1.008 254 Y HN 0.667 nan 8.280 nan 0.000 0.527 255 A N -0.738 122.117 122.820 0.059 0.000 2.544 255 A HA 0.383 4.703 4.320 -0.000 0.000 0.291 255 A C -1.526 176.058 177.584 0.000 0.000 1.055 255 A CA -0.861 51.188 52.037 0.019 0.000 0.651 255 A CB 0.645 19.667 19.000 0.038 0.000 1.296 255 A HN 0.066 nan 8.150 nan 0.000 0.431 256 E N 0.366 120.564 120.200 -0.004 0.000 2.204 256 E HA 0.609 4.959 4.350 -0.000 0.000 0.276 256 E C -1.159 175.440 176.600 -0.001 0.000 0.974 256 E CA -0.591 55.805 56.400 -0.007 0.000 0.815 256 E CB 0.892 30.588 29.700 -0.005 0.000 1.119 256 E HN 0.476 nan 8.360 nan 0.000 0.393 257 I N 5.656 126.222 120.570 -0.008 0.000 2.281 257 I HA 0.032 4.202 4.170 -0.000 0.000 0.293 257 I C 1.028 177.158 176.117 0.021 0.000 1.085 257 I CA -0.276 61.023 61.300 -0.000 0.000 1.257 257 I CB 0.952 38.937 38.000 -0.025 0.000 1.430 257 I HN 0.497 nan 8.210 nan 0.000 0.489 258 V N 2.639 122.573 119.914 0.033 0.000 3.650 258 V HA 0.495 4.615 4.120 -0.000 0.000 0.271 258 V C 0.732 176.864 176.094 0.063 0.000 1.281 258 V CA 0.188 62.513 62.300 0.040 0.000 1.120 258 V CB -0.141 31.700 31.823 0.030 0.000 0.856 258 V HN 0.685 nan 8.190 nan 0.000 0.443 259 G N -0.476 108.374 108.800 0.083 0.000 2.746 259 G HA2 0.543 4.503 3.960 -0.000 0.000 0.297 259 G HA3 0.543 4.503 3.960 -0.000 0.000 0.297 259 G C -2.307 172.702 174.900 0.182 0.000 1.426 259 G CA -0.585 44.583 45.100 0.114 0.000 0.989 259 G HN 0.311 nan 8.290 nan 0.000 0.520 260 Y N 1.293 121.610 120.300 0.028 0.000 2.332 260 Y HA 0.691 5.241 4.550 -0.000 0.000 0.325 260 Y C -0.166 175.753 175.900 0.032 0.000 1.054 260 Y CA -1.349 56.764 58.100 0.021 0.000 1.119 260 Y CB 1.760 40.233 38.460 0.022 0.000 1.168 260 Y HN 0.826 nan 8.280 nan 0.000 0.439 261 G N 3.195 111.906 108.800 -0.149 0.000 2.416 261 G HA2 0.747 4.707 3.960 -0.000 0.000 0.329 261 G HA3 0.747 4.707 3.960 -0.000 0.000 0.329 261 G C -1.686 172.995 174.900 -0.365 0.000 1.173 261 G CA -0.623 44.307 45.100 -0.283 0.000 0.929 261 G HN 1.109 nan 8.290 nan 0.000 0.475 262 A N 1.650 124.259 122.820 -0.352 0.000 2.414 262 A HA 0.874 5.194 4.320 -0.000 0.000 0.286 262 A C 0.044 177.607 177.584 -0.035 0.000 1.073 262 A CA -0.105 51.878 52.037 -0.090 0.000 0.727 262 A CB 1.321 20.290 19.000 -0.051 0.000 1.215 262 A HN 1.499 nan 8.150 nan 0.000 0.430 263 T N -1.435 113.140 114.554 0.036 0.000 2.716 263 T HA 0.868 5.218 4.350 -0.000 0.000 0.286 263 T C -0.258 174.456 174.700 0.024 0.000 1.052 263 T CA -0.472 61.627 62.100 -0.002 0.000 1.024 263 T CB 1.669 70.517 68.868 -0.034 0.000 1.349 263 T HN 1.423 nan 8.240 nan 0.000 0.525 264 S N -1.083 114.613 115.700 -0.007 0.000 2.540 264 S HA 0.450 4.920 4.470 -0.000 0.000 0.275 264 S C -0.370 174.217 174.600 -0.023 0.000 1.123 264 S CA -0.613 57.586 58.200 -0.001 0.000 0.907 264 S CB 1.623 64.822 63.200 -0.001 0.000 1.081 264 S HN 0.674 nan 8.310 nan 0.000 0.476 265 D N 2.677 123.064 120.400 -0.022 0.000 2.194 265 D HA 0.148 4.788 4.640 -0.000 0.000 0.204 265 D C 1.463 177.753 176.300 -0.017 0.000 0.964 265 D CA 1.386 55.366 54.000 -0.033 0.000 0.846 265 D CB -0.488 40.293 40.800 -0.031 0.000 0.962 265 D HN 1.067 nan 8.370 nan 0.000 0.490 266 G N 0.290 109.088 108.800 -0.004 0.000 2.323 266 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.292 266 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.292 266 G C 0.647 175.546 174.900 -0.001 0.000 1.040 266 G CA 0.881 45.980 45.100 -0.002 0.000 0.942 266 G HN 0.622 nan 8.290 nan 0.000 0.506 267 A N -0.925 121.899 122.820 0.006 0.000 1.714 267 A HA 0.660 4.980 4.320 -0.000 0.000 0.158 267 A C 0.330 177.925 177.584 0.018 0.000 1.763 267 A CA 1.061 53.103 52.037 0.008 0.000 1.419 267 A CB 0.306 19.307 19.000 0.002 0.000 1.113 267 A HN 0.552 nan 8.150 nan 0.000 0.895 268 D N -1.053 119.365 120.400 0.029 0.000 2.185 268 D HA 0.501 5.141 4.640 -0.000 0.000 0.247 268 D C 1.097 177.433 176.300 0.060 0.000 1.027 268 D CA -0.527 53.497 54.000 0.039 0.000 0.861 268 D CB 0.896 41.724 40.800 0.047 0.000 1.202 268 D HN 0.104 nan 8.370 nan 0.000 0.453 269 M N 2.361 121.988 119.600 0.045 0.000 2.159 269 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 269 M C 1.563 177.912 176.300 0.082 0.000 1.063 269 M CA 1.283 56.612 55.300 0.048 0.000 1.110 269 M CB -0.512 32.084 32.600 -0.006 0.000 1.374 269 M HN 0.554 nan 8.290 nan 0.000 0.411 270 V N -4.044 115.910 119.914 0.066 0.000 3.359 270 V HA 0.495 4.615 4.120 -0.000 0.000 0.245 270 V C 0.986 177.285 176.094 0.341 0.000 1.247 270 V CA 0.130 62.509 62.300 0.131 0.000 1.145 270 V CB -0.776 30.949 31.823 -0.163 0.000 0.906 270 V HN 0.147 nan 8.190 nan 0.000 0.464 271 A N 1.616 124.556 122.820 0.200 0.000 2.303 271 A HA 0.869 5.189 4.320 -0.000 0.000 0.317 271 A C -2.717 174.949 177.584 0.135 0.000 1.149 271 A CA -1.658 50.490 52.037 0.184 0.000 0.822 271 A CB 0.329 19.404 19.000 0.126 0.000 1.131 271 A HN 0.366 nan 8.150 nan 0.000 0.493 272 P HA 0.200 nan 4.420 nan 0.000 0.277 272 P C 0.713 178.011 177.300 -0.004 0.000 1.240 272 P CA -0.073 63.041 63.100 0.022 0.000 0.798 272 P CB 1.232 32.929 31.700 -0.006 0.000 0.979 273 S N 0.742 116.413 115.700 -0.049 0.000 2.486 273 S HA 0.189 4.659 4.470 -0.000 0.000 0.220 273 S C 1.663 176.226 174.600 -0.061 0.000 1.011 273 S CA 0.829 59.004 58.200 -0.040 0.000 0.921 273 S CB -0.943 62.233 63.200 -0.041 0.000 0.785 273 S HN 0.683 nan 8.310 nan 0.000 0.517 274 G N 1.928 110.656 108.800 -0.120 0.000 2.498 274 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.229 274 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.229 274 G C 0.945 175.771 174.900 -0.123 0.000 1.156 274 G CA 0.600 45.627 45.100 -0.121 0.000 0.680 274 G HN 0.496 nan 8.290 nan 0.000 0.512 275 E N 1.812 121.957 120.200 -0.091 0.000 2.110 275 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 275 E C 2.618 179.156 176.600 -0.103 0.000 0.988 275 E CA 2.135 58.489 56.400 -0.078 0.000 0.804 275 E CB -0.902 28.765 29.700 -0.055 0.000 0.745 275 E HN 0.631 nan 8.360 nan 0.000 0.458 276 G N 0.848 109.569 108.800 -0.132 0.000 2.402 276 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 276 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 276 G C 1.746 176.523 174.900 -0.206 0.000 1.162 276 G CA 1.304 46.316 45.100 -0.147 0.000 0.777 276 G HN 0.421 nan 8.290 nan 0.000 0.539 277 A N 0.193 122.801 122.820 -0.352 0.000 1.902 277 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 277 A C 2.611 180.116 177.584 -0.131 0.000 1.181 277 A CA 1.840 53.613 52.037 -0.441 0.000 0.623 277 A CB -0.661 17.896 19.000 -0.739 0.000 0.818 277 A HN 0.256 nan 8.150 nan 0.000 0.443 278 V N -0.089 119.762 119.914 -0.106 0.000 2.287 278 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 278 V C 2.661 178.718 176.094 -0.061 0.000 1.053 278 V CA 2.406 64.670 62.300 -0.060 0.000 1.027 278 V CB -0.797 30.991 31.823 -0.059 0.000 0.646 278 V HN 0.536 nan 8.190 nan 0.000 0.447 279 R N -1.135 119.323 120.500 -0.070 0.000 2.096 279 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 279 R C 2.422 178.690 176.300 -0.053 0.000 1.127 279 R CA 1.708 57.769 56.100 -0.065 0.000 0.968 279 R CB -0.816 29.443 30.300 -0.068 0.000 0.861 279 R HN 0.599 nan 8.270 nan 0.000 0.440 280 C N 0.691 119.968 119.300 -0.038 0.000 2.432 280 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 280 C C 2.599 177.604 174.990 0.025 0.000 1.249 280 C CA 0.874 59.892 59.018 -0.001 0.000 1.725 280 C CB -0.696 27.081 27.740 0.062 0.000 2.028 280 C HN 0.470 nan 8.230 nan 0.000 0.477 281 M N 0.164 119.797 119.600 0.054 0.000 2.117 281 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 281 M C 2.297 178.590 176.300 -0.013 0.000 1.065 281 M CA 1.855 57.189 55.300 0.055 0.000 1.114 281 M CB -0.485 32.165 32.600 0.083 0.000 1.361 281 M HN 0.402 nan 8.290 nan 0.000 0.408 282 K N -0.085 120.285 120.400 -0.049 0.000 2.097 282 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 282 K C 1.986 178.577 176.600 -0.015 0.000 1.050 282 K CA 1.241 57.493 56.287 -0.059 0.000 0.938 282 K CB -0.189 32.269 32.500 -0.070 0.000 0.718 282 K HN 0.359 nan 8.250 nan 0.000 0.442 283 M N 0.541 120.121 119.600 -0.033 0.000 2.117 283 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 283 M C 2.098 178.407 176.300 0.015 0.000 1.065 283 M CA 1.709 56.983 55.300 -0.044 0.000 1.114 283 M CB -0.072 32.474 32.600 -0.091 0.000 1.361 283 M HN 0.151 nan 8.290 nan 0.000 0.408 284 A N 0.089 122.920 122.820 0.018 0.000 1.969 284 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 284 A C 1.914 179.540 177.584 0.070 0.000 1.169 284 A CA 1.524 53.593 52.037 0.054 0.000 0.635 284 A CB -0.580 18.459 19.000 0.066 0.000 0.810 284 A HN 0.641 nan 8.150 nan 0.000 0.445 285 M N -1.392 118.240 119.600 0.053 0.000 2.514 285 M HA 0.053 4.533 4.480 -0.000 0.000 0.258 285 M C 0.678 177.009 176.300 0.052 0.000 1.119 285 M CA 0.028 55.352 55.300 0.041 0.000 1.111 285 M CB -0.149 32.444 32.600 -0.011 0.000 1.390 285 M HN 0.503 nan 8.290 nan 0.000 0.475 286 H N 0.668 119.724 119.070 -0.023 0.000 3.192 286 H HA 0.135 4.691 4.556 -0.000 0.000 0.295 286 H C 1.200 176.524 175.328 -0.007 0.000 0.943 286 H CA 1.565 57.600 56.048 -0.021 0.000 1.416 286 H CB 0.092 29.840 29.762 -0.024 0.000 1.434 286 H HN 0.472 nan 8.280 nan 0.000 0.565 287 G N 3.122 111.665 108.800 -0.428 0.000 2.205 287 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.261 287 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.261 287 G C 0.109 174.941 174.900 -0.114 0.000 0.980 287 G CA 0.268 45.193 45.100 -0.292 0.000 0.632 287 G HN 0.689 nan 8.290 nan 0.000 0.533 288 V N 2.615 122.492 119.914 -0.060 0.000 2.415 288 V HA 0.329 4.449 4.120 -0.000 0.000 0.267 288 V C 1.214 177.296 176.094 -0.021 0.000 1.042 288 V CA 0.587 62.877 62.300 -0.018 0.000 1.000 288 V CB 1.112 32.944 31.823 0.015 0.000 1.015 288 V HN 0.528 nan 8.190 nan 0.000 0.478 289 D N 2.439 122.827 120.400 -0.020 0.000 2.338 289 D HA -0.012 4.628 4.640 -0.000 0.000 0.239 289 D C 0.670 176.971 176.300 0.002 0.000 1.095 289 D CA 0.101 54.092 54.000 -0.015 0.000 0.888 289 D CB -0.156 40.633 40.800 -0.018 0.000 0.899 289 D HN 0.598 nan 8.370 nan 0.000 0.525 290 T N -3.020 111.543 114.554 0.014 0.000 2.907 290 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 290 T C -2.792 171.936 174.700 0.046 0.000 1.043 290 T CA -1.894 60.222 62.100 0.026 0.000 1.003 290 T CB 2.226 71.110 68.868 0.026 0.000 1.084 290 T HN -0.156 nan 8.240 nan 0.000 0.483 291 P HA 0.346 nan 4.420 nan 0.000 0.274 291 P C -0.501 176.855 177.300 0.094 0.000 1.237 291 P CA -0.671 62.481 63.100 0.087 0.000 0.793 291 P CB 0.617 32.361 31.700 0.073 0.000 0.977 292 I N 2.788 123.443 120.570 0.141 0.000 2.396 292 I HA 0.025 4.195 4.170 -0.000 0.000 0.289 292 I C 1.251 177.388 176.117 0.033 0.000 1.056 292 I CA 0.368 61.731 61.300 0.105 0.000 1.365 292 I CB 0.181 38.283 38.000 0.171 0.000 1.407 292 I HN 0.321 nan 8.210 nan 0.000 0.509 293 D N 4.931 125.358 120.400 0.045 0.000 2.277 293 D HA -0.046 4.594 4.640 -0.000 0.000 0.209 293 D C -0.009 176.344 176.300 0.089 0.000 0.970 293 D CA 1.195 55.224 54.000 0.049 0.000 0.874 293 D CB 0.477 41.315 40.800 0.064 0.000 0.982 293 D HN 0.517 nan 8.370 nan 0.000 0.504 294 Y N 0.269 120.533 120.300 -0.060 0.000 2.544 294 Y HA 0.493 5.043 4.550 -0.000 0.000 0.342 294 Y C -2.058 173.802 175.900 -0.068 0.000 1.062 294 Y CA -1.198 56.857 58.100 -0.075 0.000 1.023 294 Y CB 1.513 39.929 38.460 -0.073 0.000 1.308 294 Y HN -0.229 nan 8.280 nan 0.000 0.457 295 L N 6.765 127.295 121.223 -1.154 0.000 2.406 295 L HA 0.482 4.822 4.340 -0.000 0.000 0.272 295 L C -1.394 174.836 176.870 -1.067 0.000 0.980 295 L CA -0.574 53.776 54.840 -0.816 0.000 0.831 295 L CB 1.189 42.991 42.059 -0.429 0.000 1.253 295 L HN 0.818 nan 8.230 nan 0.000 0.406 296 N N 3.622 121.915 118.700 -0.678 0.000 2.469 296 N HA 0.132 4.872 4.740 -0.000 0.000 0.239 296 N C -0.409 175.009 175.510 -0.153 0.000 1.053 296 N CA -0.193 52.699 53.050 -0.263 0.000 0.937 296 N CB 1.094 39.618 38.487 0.062 0.000 1.163 296 N HN 0.715 nan 8.380 nan 0.000 0.509 297 S N 2.678 118.318 115.700 -0.100 0.000 2.593 297 S HA 0.003 4.473 4.470 -0.000 0.000 0.269 297 S C 1.305 175.853 174.600 -0.087 0.000 1.334 297 S CA -0.241 57.934 58.200 -0.041 0.000 1.015 297 S CB 1.234 64.496 63.200 0.105 0.000 0.912 297 S HN 0.747 nan 8.310 nan 0.000 0.541 298 H N 2.457 121.400 119.070 -0.211 0.000 2.357 298 H HA 0.142 4.698 4.556 -0.000 0.000 0.301 298 H C 1.509 176.700 175.328 -0.229 0.000 1.082 298 H CA 1.183 57.055 56.048 -0.294 0.000 1.342 298 H CB -1.082 28.406 29.762 -0.457 0.000 1.389 298 H HN 0.988 nan 8.280 nan 0.000 0.511 299 G N 0.910 109.529 108.800 -0.302 0.000 2.891 299 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.336 299 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.336 299 G C 0.958 175.513 174.900 -0.577 0.000 0.202 299 G CA 0.985 45.824 45.100 -0.434 0.000 1.222 299 G HN 0.751 nan 8.290 nan 0.000 0.344 300 T N -0.825 113.355 114.554 -0.624 0.000 3.129 300 T HA 0.370 4.720 4.350 -0.000 0.000 0.251 300 T C 1.221 175.776 174.700 -0.242 0.000 1.117 300 T CA 0.800 62.553 62.100 -0.578 0.000 1.034 300 T CB 0.265 68.627 68.868 -0.842 0.000 0.968 300 T HN 1.681 nan 8.240 nan 0.000 0.526 301 S N 0.614 116.183 115.700 -0.219 0.000 3.777 301 S HA -0.120 4.350 4.470 -0.000 0.000 0.296 301 S C 0.185 174.791 174.600 0.009 0.000 1.173 301 S CA 0.506 58.642 58.200 -0.108 0.000 0.824 301 S CB -2.040 61.123 63.200 -0.061 0.000 0.932 301 S HN 1.255 nan 8.310 nan 0.000 0.571 302 T N -1.322 113.243 114.554 0.019 0.000 2.912 302 T HA 0.730 5.080 4.350 -0.000 0.000 0.288 302 T C -1.648 173.104 174.700 0.087 0.000 1.030 302 T CA -1.644 60.514 62.100 0.096 0.000 1.020 302 T CB 1.814 70.777 68.868 0.158 0.000 1.056 302 T HN -0.073 nan 8.240 nan 0.000 0.480 303 P HA -0.134 nan 4.420 nan 0.000 0.210 303 P C 1.715 179.076 177.300 0.102 0.000 1.185 303 P CA 0.803 63.963 63.100 0.099 0.000 0.924 303 P CB -0.099 31.657 31.700 0.094 0.000 0.786 304 V N -0.373 119.605 119.914 0.107 0.000 2.283 304 V HA -0.121 3.999 4.120 -0.000 0.000 0.243 304 V C 2.608 178.773 176.094 0.118 0.000 1.039 304 V CA 2.420 64.783 62.300 0.105 0.000 1.016 304 V CB -2.065 29.819 31.823 0.102 0.000 0.650 304 V HN 0.205 nan 8.190 nan 0.000 0.449 305 G N 0.181 109.063 108.800 0.137 0.000 2.529 305 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 305 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 305 G C 1.189 176.181 174.900 0.153 0.000 1.177 305 G CA 1.508 46.703 45.100 0.160 0.000 0.773 305 G HN 0.510 nan 8.290 nan 0.000 0.573 306 D N -0.112 120.351 120.400 0.106 0.000 2.104 306 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 306 D C 2.747 179.174 176.300 0.212 0.000 0.994 306 D CA 0.950 55.022 54.000 0.121 0.000 0.830 306 D CB -0.560 40.275 40.800 0.058 0.000 0.959 306 D HN 0.207 nan 8.370 nan 0.000 0.452 307 V N 0.860 120.873 119.914 0.164 0.000 2.343 307 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 307 V C 2.361 178.528 176.094 0.122 0.000 1.051 307 V CA 1.313 63.697 62.300 0.139 0.000 1.036 307 V CB -0.295 31.591 31.823 0.106 0.000 0.654 307 V HN 0.127 nan 8.190 nan 0.000 0.451 308 K N 0.074 120.545 120.400 0.117 0.000 2.057 308 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 308 K C 2.148 178.810 176.600 0.103 0.000 1.049 308 K CA 1.749 58.090 56.287 0.090 0.000 0.931 308 K CB -0.317 32.228 32.500 0.075 0.000 0.714 308 K HN 0.676 nan 8.250 nan 0.000 0.440 309 E N 0.753 121.057 120.200 0.174 0.000 2.047 309 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 309 E C 2.153 178.865 176.600 0.187 0.000 0.987 309 E CA 0.773 57.313 56.400 0.233 0.000 0.799 309 E CB -0.055 29.870 29.700 0.376 0.000 0.752 309 E HN 0.146 nan 8.360 nan 0.000 0.449 310 L N 0.671 122.000 121.223 0.176 0.000 2.043 310 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 310 L C 2.730 179.650 176.870 0.083 0.000 1.075 310 L CA 1.326 56.230 54.840 0.105 0.000 0.752 310 L CB -0.596 41.504 42.059 0.067 0.000 0.891 310 L HN 0.258 nan 8.230 nan 0.000 0.432 311 A N -0.087 122.780 122.820 0.080 0.000 1.898 311 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 311 A C 2.562 180.183 177.584 0.062 0.000 1.181 311 A CA 1.670 53.743 52.037 0.059 0.000 0.620 311 A CB -0.722 18.306 19.000 0.047 0.000 0.819 311 A HN 0.399 nan 8.150 nan 0.000 0.442 312 A N -0.028 122.832 122.820 0.067 0.000 1.902 312 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 312 A C 2.109 179.762 177.584 0.115 0.000 1.181 312 A CA 1.592 53.664 52.037 0.058 0.000 0.623 312 A CB -0.638 18.383 19.000 0.034 0.000 0.818 312 A HN 0.502 nan 8.150 nan 0.000 0.443 313 I N -1.202 119.468 120.570 0.168 0.000 2.286 313 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 313 I C 2.661 178.948 176.117 0.282 0.000 1.115 313 I CA 1.672 63.135 61.300 0.272 0.000 1.392 313 I CB -0.211 37.898 38.000 0.182 0.000 1.065 313 I HN 0.288 nan 8.210 nan 0.000 0.418 314 R N 1.209 121.799 120.500 0.150 0.000 2.081 314 R HA -0.225 4.115 4.340 -0.000 0.000 0.235 314 R C 2.121 178.484 176.300 0.104 0.000 1.131 314 R CA 1.640 57.810 56.100 0.117 0.000 0.960 314 R CB -0.265 30.073 30.300 0.063 0.000 0.856 314 R HN 0.265 nan 8.270 nan 0.000 0.436 315 E N -0.584 119.660 120.200 0.072 0.000 2.077 315 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 315 E C 1.709 178.305 176.600 -0.007 0.000 0.989 315 E CA 1.621 58.038 56.400 0.028 0.000 0.800 315 E CB -0.119 29.587 29.700 0.010 0.000 0.746 315 E HN 0.190 nan 8.360 nan 0.000 0.452 316 V N -0.306 119.595 119.914 -0.022 0.000 2.379 316 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 316 V C 1.750 177.635 176.094 -0.349 0.000 1.044 316 V CA 1.824 63.985 62.300 -0.232 0.000 1.036 316 V CB -0.453 31.135 31.823 -0.392 0.000 0.664 316 V HN 0.256 nan 8.190 nan 0.000 0.453 317 F N -0.669 119.284 119.950 0.005 0.000 2.500 317 F HA 0.533 5.060 4.527 -0.000 0.000 0.285 317 F C 1.821 177.620 175.800 -0.000 0.000 1.088 317 F CA 0.871 58.872 58.000 0.002 0.000 1.432 317 F CB -0.435 38.563 39.000 -0.002 0.000 1.131 317 F HN 0.272 nan 8.300 nan 0.000 0.582 318 G N 1.424 110.338 108.800 0.189 0.000 2.552 318 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.267 318 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.267 318 G C 0.644 175.599 174.900 0.091 0.000 1.174 318 G CA 0.342 45.504 45.100 0.102 0.000 0.955 318 G HN 0.331 nan 8.290 nan 0.000 0.546 319 D N 0.891 121.333 120.400 0.069 0.000 2.354 319 D HA 0.057 4.697 4.640 -0.000 0.000 0.209 319 D C 1.359 177.687 176.300 0.047 0.000 1.015 319 D CA 0.764 54.790 54.000 0.044 0.000 0.867 319 D CB 0.016 40.834 40.800 0.030 0.000 0.933 319 D HN 0.573 nan 8.370 nan 0.000 0.520 320 K N 1.729 122.181 120.400 0.087 0.000 2.862 320 K HA 0.116 4.436 4.320 -0.000 0.000 0.229 320 K C 0.421 177.072 176.600 0.086 0.000 1.107 320 K CA -0.243 56.098 56.287 0.090 0.000 1.222 320 K CB 0.350 32.922 32.500 0.121 0.000 1.067 320 K HN 0.086 nan 8.250 nan 0.000 0.464 321 S N 1.408 117.103 115.700 -0.008 0.000 2.576 321 S HA 0.287 4.757 4.470 -0.000 0.000 0.276 321 S C -1.570 172.848 174.600 -0.303 0.000 1.339 321 S CA -1.214 56.839 58.200 -0.245 0.000 1.039 321 S CB 0.586 63.669 63.200 -0.195 0.000 0.902 321 S HN 0.104 nan 8.310 nan 0.000 0.516 322 P HA 0.370 nan 4.420 nan 0.000 0.279 322 P C -0.459 176.712 177.300 -0.215 0.000 1.282 322 P CA -0.623 62.289 63.100 -0.313 0.000 0.788 322 P CB 0.418 31.884 31.700 -0.391 0.000 1.139 323 A N 0.413 123.176 122.820 -0.094 0.000 2.462 323 A HA 0.437 4.757 4.320 -0.000 0.000 0.243 323 A C 0.253 177.803 177.584 -0.056 0.000 1.076 323 A CA 0.011 52.045 52.037 -0.005 0.000 0.773 323 A CB -0.709 18.367 19.000 0.127 0.000 1.010 323 A HN 0.465 nan 8.150 nan 0.000 0.493 324 I N 1.293 121.842 120.570 -0.036 0.000 2.619 324 I HA 0.492 4.662 4.170 -0.000 0.000 0.292 324 I C -0.072 176.091 176.117 0.077 0.000 1.100 324 I CA -0.167 61.078 61.300 -0.091 0.000 1.043 324 I CB 2.579 40.489 38.000 -0.150 0.000 1.239 324 I HN 0.796 nan 8.210 nan 0.000 0.420 325 S N 3.747 119.534 115.700 0.144 0.000 2.550 325 S HA 0.865 5.335 4.470 -0.000 0.000 0.270 325 S C -1.039 173.672 174.600 0.185 0.000 1.145 325 S CA -0.821 57.513 58.200 0.223 0.000 0.852 325 S CB 2.099 65.460 63.200 0.269 0.000 1.119 325 S HN 0.770 nan 8.310 nan 0.000 0.465 326 A N 1.842 124.753 122.820 0.151 0.000 2.399 326 A HA 0.591 4.911 4.320 -0.000 0.000 0.327 326 A C 1.078 178.657 177.584 -0.008 0.000 1.367 326 A CA -0.231 51.819 52.037 0.023 0.000 0.842 326 A CB -0.245 18.668 19.000 -0.145 0.000 1.142 326 A HN 1.337 nan 8.150 nan 0.000 0.495 327 T N -0.223 114.336 114.554 0.009 0.000 3.025 327 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 327 T C 1.508 176.162 174.700 -0.077 0.000 1.126 327 T CA 1.082 63.148 62.100 -0.057 0.000 1.105 327 T CB -0.333 68.468 68.868 -0.112 0.000 0.884 327 T HN 0.632 nan 8.240 nan 0.000 0.522 328 R N 0.790 121.250 120.500 -0.068 0.000 2.152 328 R HA 0.129 4.469 4.340 -0.000 0.000 0.232 328 R C 2.847 179.103 176.300 -0.073 0.000 1.117 328 R CA 1.021 57.077 56.100 -0.074 0.000 0.981 328 R CB -0.569 29.640 30.300 -0.152 0.000 0.870 328 R HN 0.557 nan 8.270 nan 0.000 0.451 329 A N 1.557 124.325 122.820 -0.087 0.000 1.978 329 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 329 A C 2.132 179.683 177.584 -0.055 0.000 1.170 329 A CA 1.714 53.707 52.037 -0.074 0.000 0.636 329 A CB -0.360 18.602 19.000 -0.064 0.000 0.810 329 A HN 0.396 nan 8.150 nan 0.000 0.448 330 M N -2.098 117.463 119.600 -0.064 0.000 2.534 330 M HA 0.082 4.562 4.480 -0.000 0.000 0.263 330 M C 1.779 178.047 176.300 -0.052 0.000 1.152 330 M CA 1.572 56.836 55.300 -0.060 0.000 1.145 330 M CB -0.587 31.965 32.600 -0.080 0.000 1.333 330 M HN 0.286 nan 8.290 nan 0.000 0.477 331 T N -1.875 112.643 114.554 -0.059 0.000 3.040 331 T HA 0.535 4.885 4.350 -0.000 0.000 0.252 331 T C 1.123 175.841 174.700 0.029 0.000 1.064 331 T CA 0.534 62.619 62.100 -0.024 0.000 1.110 331 T CB -0.177 68.682 68.868 -0.015 0.000 0.921 331 T HN 0.771 nan 8.240 nan 0.000 0.480 332 G N 0.948 109.774 108.800 0.044 0.000 2.685 332 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.387 332 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.387 332 G C -0.993 173.985 174.900 0.129 0.000 1.324 332 G CA -0.398 44.765 45.100 0.104 0.000 0.878 332 G HN 0.851 nan 8.290 nan 0.000 0.527 333 H N 0.281 119.361 119.070 0.017 0.000 2.581 333 H HA 0.627 5.183 4.556 -0.000 0.000 0.308 333 H C 1.493 176.762 175.328 -0.098 0.000 1.040 333 H CA 0.166 56.132 56.048 -0.136 0.000 1.231 333 H CB 0.926 30.429 29.762 -0.432 0.000 1.396 333 H HN 0.872 nan 8.280 nan 0.000 0.467 334 S N 4.897 120.472 115.700 -0.209 0.000 2.710 334 S HA 0.119 4.589 4.470 -0.000 0.000 0.224 334 S C 1.186 175.585 174.600 -0.334 0.000 0.948 334 S CA 0.071 58.148 58.200 -0.204 0.000 0.949 334 S CB -0.751 62.390 63.200 -0.098 0.000 0.778 334 S HN 0.740 nan 8.310 nan 0.000 0.498 335 L N -0.120 120.659 121.223 -0.740 0.000 5.154 335 L HA -0.357 3.983 4.340 -0.000 0.000 0.053 335 L C 2.277 178.981 176.870 -0.277 0.000 3.137 335 L CA 1.481 55.975 54.840 -0.577 0.000 1.466 335 L CB -2.081 39.808 42.059 -0.283 0.000 2.980 335 L HN 0.434 nan 8.230 nan 0.000 0.938 336 G N -1.127 107.602 108.800 -0.119 0.000 2.448 336 G HA2 0.022 3.982 3.960 -0.000 0.000 0.219 336 G HA3 0.022 3.982 3.960 -0.000 0.000 0.219 336 G C 1.306 176.176 174.900 -0.048 0.000 1.127 336 G CA 1.363 46.438 45.100 -0.042 0.000 0.766 336 G HN 0.857 nan 8.290 nan 0.000 0.552 337 A N 0.448 123.227 122.820 -0.068 0.000 2.178 337 A HA 0.620 4.940 4.320 -0.000 0.000 0.211 337 A C 2.597 180.119 177.584 -0.102 0.000 1.157 337 A CA 1.320 53.318 52.037 -0.066 0.000 0.780 337 A CB -0.272 18.700 19.000 -0.046 0.000 0.828 337 A HN 0.565 nan 8.150 nan 0.000 0.476 338 A N 0.148 122.894 122.820 -0.122 0.000 1.908 338 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 338 A C 2.346 179.875 177.584 -0.091 0.000 1.181 338 A CA 2.018 53.999 52.037 -0.093 0.000 0.627 338 A CB -1.314 17.642 19.000 -0.075 0.000 0.818 338 A HN 0.682 nan 8.150 nan 0.000 0.445 339 G N -0.999 107.747 108.800 -0.090 0.000 2.421 339 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 339 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 339 G C 1.656 176.474 174.900 -0.137 0.000 1.171 339 G CA 1.323 46.361 45.100 -0.104 0.000 0.775 339 G HN 0.606 nan 8.290 nan 0.000 0.543 340 V N 0.123 119.952 119.914 -0.142 0.000 2.379 340 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 340 V C 2.728 178.663 176.094 -0.266 0.000 1.044 340 V CA 2.425 64.622 62.300 -0.171 0.000 1.036 340 V CB -0.263 31.478 31.823 -0.136 0.000 0.664 340 V HN 0.501 nan 8.190 nan 0.000 0.453 341 Q N -0.392 119.221 119.800 -0.311 0.000 2.135 341 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 341 Q C 2.138 177.557 176.000 -0.968 0.000 0.981 341 Q CA 2.257 57.705 55.803 -0.591 0.000 0.856 341 Q CB -0.120 28.359 28.738 -0.432 0.000 0.902 341 Q HN 0.721 nan 8.270 nan 0.000 0.425 342 E N 0.156 120.067 120.200 -0.481 0.000 2.216 342 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 342 E C 1.818 178.321 176.600 -0.160 0.000 0.988 342 E CA 0.704 56.967 56.400 -0.229 0.000 0.834 342 E CB 0.018 29.706 29.700 -0.019 0.000 0.772 342 E HN 0.335 nan 8.360 nan 0.000 0.479 343 A N 0.813 123.518 122.820 -0.192 0.000 1.930 343 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 343 A C 2.097 179.583 177.584 -0.163 0.000 1.175 343 A CA 0.845 52.800 52.037 -0.137 0.000 0.627 343 A CB -0.371 18.544 19.000 -0.142 0.000 0.815 343 A HN 0.132 nan 8.150 nan 0.000 0.443 344 I N -1.582 118.823 120.570 -0.275 0.000 2.193 344 I HA -0.227 3.943 4.170 -0.000 0.000 0.240 344 I C 2.313 178.350 176.117 -0.133 0.000 1.084 344 I CA 1.202 62.345 61.300 -0.260 0.000 1.365 344 I CB -0.577 37.227 38.000 -0.326 0.000 1.064 344 I HN 0.357 nan 8.210 nan 0.000 0.410 345 Y N 1.213 121.481 120.300 -0.053 0.000 2.139 345 Y HA -0.271 4.279 4.550 -0.000 0.000 0.282 345 Y C 2.961 178.813 175.900 -0.080 0.000 1.179 345 Y CA 1.212 59.282 58.100 -0.049 0.000 1.161 345 Y CB -1.529 36.914 38.460 -0.029 0.000 0.970 345 Y HN 0.139 nan 8.280 nan 0.000 0.511 346 S N -0.209 115.551 115.700 0.100 0.000 2.402 346 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 346 S C 2.109 176.713 174.600 0.006 0.000 1.021 346 S CA 1.001 59.243 58.200 0.071 0.000 0.974 346 S CB -0.497 62.779 63.200 0.125 0.000 0.800 346 S HN 0.362 nan 8.310 nan 0.000 0.484 347 L N 0.796 122.013 121.223 -0.010 0.000 2.179 347 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 347 L C 2.010 178.930 176.870 0.082 0.000 1.096 347 L CA 0.691 55.535 54.840 0.006 0.000 0.779 347 L CB -0.384 41.615 42.059 -0.100 0.000 0.922 347 L HN 0.278 nan 8.230 nan 0.000 0.443 348 L N -1.092 120.181 121.223 0.083 0.000 2.156 348 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 348 L C 2.512 179.478 176.870 0.159 0.000 1.095 348 L CA 1.068 56.044 54.840 0.228 0.000 0.770 348 L CB -0.267 41.909 42.059 0.195 0.000 0.914 348 L HN 0.323 nan 8.230 nan 0.000 0.439 349 M N -0.977 118.506 119.600 -0.195 0.000 2.156 349 M HA -0.177 4.303 4.480 -0.000 0.000 0.264 349 M C 2.240 178.415 176.300 -0.208 0.000 1.067 349 M CA 1.407 56.358 55.300 -0.583 0.000 1.131 349 M CB -0.212 31.897 32.600 -0.818 0.000 1.368 349 M HN 0.198 nan 8.290 nan 0.000 0.416 350 L N 0.632 121.811 121.223 -0.075 0.000 2.056 350 L HA -0.145 4.194 4.340 -0.000 0.000 0.207 350 L C 2.186 179.087 176.870 0.052 0.000 1.078 350 L CA 1.980 56.820 54.840 0.000 0.000 0.749 350 L CB -0.577 41.502 42.059 0.033 0.000 0.901 350 L HN 0.200 nan 8.230 nan 0.000 0.433 351 E N -1.124 119.147 120.200 0.118 0.000 2.072 351 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 351 E C 1.684 178.243 176.600 -0.069 0.000 0.985 351 E CA 1.471 57.921 56.400 0.083 0.000 0.801 351 E CB -0.125 29.716 29.700 0.235 0.000 0.750 351 E HN 0.637 nan 8.360 nan 0.000 0.452 352 H N -1.181 117.997 119.070 0.180 0.000 2.517 352 H HA 0.258 4.814 4.556 -0.000 0.000 0.282 352 H C 0.472 175.950 175.328 0.249 0.000 1.023 352 H CA 0.363 56.549 56.048 0.231 0.000 1.169 352 H CB 0.412 30.379 29.762 0.341 0.000 1.454 352 H HN 0.292 nan 8.280 nan 0.000 0.556 353 G N 2.124 111.052 108.800 0.213 0.000 2.372 353 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.297 353 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.297 353 G C -0.178 174.862 174.900 0.235 0.000 1.005 353 G CA 0.939 46.129 45.100 0.149 0.000 1.173 353 G HN 0.548 nan 8.290 nan 0.000 0.511 354 F N -1.867 118.073 119.950 -0.016 0.000 2.686 354 F HA 0.823 5.350 4.527 -0.000 0.000 0.311 354 F C -0.884 174.826 175.800 -0.151 0.000 1.128 354 F CA -2.269 55.697 58.000 -0.057 0.000 0.946 354 F CB 1.215 40.193 39.000 -0.036 0.000 1.336 354 F HN 0.032 nan 8.300 nan 0.000 0.457 355 I N 2.650 123.135 120.570 -0.142 0.000 2.389 355 I HA 0.630 4.800 4.170 -0.000 0.000 0.288 355 I C 0.094 176.156 176.117 -0.090 0.000 0.999 355 I CA -1.045 60.016 61.300 -0.398 0.000 1.129 355 I CB 1.697 39.565 38.000 -0.221 0.000 1.288 355 I HN 0.974 nan 8.210 nan 0.000 0.444 356 A N 8.925 131.607 122.820 -0.231 0.000 2.386 356 A HA 0.563 4.883 4.320 -0.000 0.000 0.248 356 A C -2.406 175.205 177.584 0.045 0.000 1.082 356 A CA -1.040 51.043 52.037 0.076 0.000 0.789 356 A CB -0.220 18.789 19.000 0.016 0.000 1.025 356 A HN 0.439 nan 8.150 nan 0.000 0.490 357 P HA 0.186 nan 4.420 nan 0.000 0.282 357 P C -0.514 176.813 177.300 0.045 0.000 1.249 357 P CA -0.300 62.830 63.100 0.050 0.000 0.806 357 P CB 1.426 33.147 31.700 0.035 0.000 0.984 358 S N 2.669 118.407 115.700 0.064 0.000 2.399 358 S HA 0.384 4.854 4.470 -0.000 0.000 0.301 358 S C 0.645 175.272 174.600 0.045 0.000 1.093 358 S CA -0.765 57.480 58.200 0.074 0.000 1.077 358 S CB -1.271 62.017 63.200 0.147 0.000 0.980 358 S HN 0.346 nan 8.310 nan 0.000 0.494 359 I N 2.298 122.876 120.570 0.012 0.000 3.244 359 I HA 0.507 4.677 4.170 -0.000 0.000 0.314 359 I C 0.625 176.733 176.117 -0.015 0.000 1.043 359 I CA -0.666 60.632 61.300 -0.003 0.000 1.099 359 I CB 0.193 38.182 38.000 -0.018 0.000 1.449 359 I HN 0.768 nan 8.210 nan 0.000 0.625 360 N N -0.104 118.580 118.700 -0.027 0.000 2.713 360 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 360 N C -0.573 174.914 175.510 -0.038 0.000 1.117 360 N CA 0.504 53.525 53.050 -0.048 0.000 0.770 360 N CB -1.232 37.203 38.487 -0.087 0.000 1.137 360 N HN 0.471 nan 8.380 nan 0.000 0.566 361 I N 1.273 121.838 120.570 -0.008 0.000 2.278 361 I HA 0.018 4.188 4.170 -0.000 0.000 0.296 361 I C 1.194 177.300 176.117 -0.017 0.000 1.121 361 I CA 0.278 61.581 61.300 0.005 0.000 1.267 361 I CB 0.572 38.597 38.000 0.042 0.000 1.447 361 I HN 0.181 nan 8.210 nan 0.000 0.509 362 E N 4.062 124.237 120.200 -0.043 0.000 2.318 362 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 362 E C 0.419 176.973 176.600 -0.076 0.000 0.998 362 E CA 0.431 56.798 56.400 -0.056 0.000 0.859 362 E CB 0.557 30.218 29.700 -0.065 0.000 0.812 362 E HN 0.532 nan 8.360 nan 0.000 0.492 363 E N 1.191 121.336 120.200 -0.092 0.000 2.448 363 E HA 0.113 4.463 4.350 -0.000 0.000 0.288 363 E C -1.302 175.276 176.600 -0.037 0.000 0.936 363 E CA -0.514 55.835 56.400 -0.084 0.000 0.809 363 E CB 0.905 30.508 29.700 -0.161 0.000 1.408 363 E HN -0.062 nan 8.360 nan 0.000 0.393 364 L N 3.312 124.529 121.223 -0.011 0.000 2.529 364 L HA 0.069 4.409 4.340 -0.000 0.000 0.287 364 L C -0.017 176.867 176.870 0.024 0.000 1.241 364 L CA 0.885 55.733 54.840 0.012 0.000 0.857 364 L CB 0.544 42.598 42.059 -0.008 0.000 1.113 364 L HN 0.544 nan 8.230 nan 0.000 0.504 365 D N 2.821 123.253 120.400 0.053 0.000 2.304 365 D HA 0.010 4.650 4.640 -0.000 0.000 0.250 365 D C 0.870 177.192 176.300 0.038 0.000 1.107 365 D CA 0.025 54.064 54.000 0.065 0.000 0.885 365 D CB 1.107 41.974 40.800 0.113 0.000 1.192 365 D HN 0.749 nan 8.370 nan 0.000 0.436 366 E N 2.042 122.266 120.200 0.039 0.000 2.233 366 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 366 E C 0.980 177.593 176.600 0.021 0.000 1.004 366 E CA 1.190 57.607 56.400 0.027 0.000 0.819 366 E CB 0.303 30.023 29.700 0.033 0.000 0.738 366 E HN 0.447 nan 8.360 nan 0.000 0.478 367 Q N -0.527 119.292 119.800 0.033 0.000 2.230 367 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 367 Q C 1.407 177.405 176.000 -0.003 0.000 0.963 367 Q CA 1.112 56.932 55.803 0.029 0.000 0.866 367 Q CB 0.014 28.787 28.738 0.058 0.000 0.931 367 Q HN 0.305 nan 8.270 nan 0.000 0.452 368 A N 0.628 123.427 122.820 -0.034 0.000 2.503 368 A HA 0.427 4.747 4.320 -0.000 0.000 0.263 368 A C 1.620 179.156 177.584 -0.081 0.000 1.360 368 A CA 0.622 52.594 52.037 -0.108 0.000 0.969 368 A CB -0.474 18.399 19.000 -0.211 0.000 1.000 368 A HN 0.246 nan 8.150 nan 0.000 0.530 369 A N 0.460 123.255 122.820 -0.041 0.000 1.830 369 A HA 0.119 4.439 4.320 -0.000 0.000 0.214 369 A C 2.012 179.575 177.584 -0.035 0.000 1.218 369 A CA 1.507 53.526 52.037 -0.029 0.000 0.628 369 A CB -1.283 17.710 19.000 -0.011 0.000 0.860 369 A HN 1.014 nan 8.150 nan 0.000 0.454 370 G N -0.541 108.244 108.800 -0.026 0.000 3.375 370 G HA2 0.433 4.393 3.960 -0.000 0.000 0.247 370 G HA3 0.433 4.393 3.960 -0.000 0.000 0.247 370 G C -0.048 174.829 174.900 -0.038 0.000 1.343 370 G CA -0.140 44.946 45.100 -0.023 0.000 1.368 370 G HN 0.305 nan 8.290 nan 0.000 0.549 371 L N -0.717 120.466 121.223 -0.066 0.000 2.370 371 L HA 0.364 4.704 4.340 -0.000 0.000 0.266 371 L C -0.502 176.304 176.870 -0.107 0.000 1.002 371 L CA -1.177 53.605 54.840 -0.097 0.000 0.818 371 L CB 2.319 44.299 42.059 -0.132 0.000 1.325 371 L HN -0.048 nan 8.230 nan 0.000 0.418 372 N N 2.546 121.182 118.700 -0.107 0.000 2.868 372 N HA 0.233 4.973 4.740 -0.000 0.000 0.252 372 N C -0.756 174.700 175.510 -0.089 0.000 1.130 372 N CA -0.362 52.638 53.050 -0.084 0.000 1.026 372 N CB 0.219 38.669 38.487 -0.062 0.000 1.335 372 N HN 0.329 nan 8.380 nan 0.000 0.516 373 I N 3.463 123.968 120.570 -0.108 0.000 2.347 373 I HA 0.097 4.267 4.170 -0.000 0.000 0.294 373 I C 0.130 176.233 176.117 -0.023 0.000 1.090 373 I CA -0.552 60.687 61.300 -0.101 0.000 1.314 373 I CB 0.209 38.102 38.000 -0.179 0.000 1.423 373 I HN 0.104 nan 8.210 nan 0.000 0.503 374 V N 7.238 127.166 119.914 0.023 0.000 2.470 374 V HA 0.095 4.215 4.120 -0.000 0.000 0.276 374 V C 1.384 177.508 176.094 0.049 0.000 1.040 374 V CA 0.134 62.459 62.300 0.041 0.000 1.008 374 V CB 0.818 32.682 31.823 0.068 0.000 0.990 374 V HN 0.902 nan 8.190 nan 0.000 0.477 375 T N 0.659 115.233 114.554 0.033 0.000 3.129 375 T HA 0.304 4.654 4.350 -0.000 0.000 0.267 375 T C 0.119 174.834 174.700 0.025 0.000 1.018 375 T CA -0.307 61.812 62.100 0.032 0.000 0.903 375 T CB -0.204 68.678 68.868 0.022 0.000 1.067 375 T HN 0.816 nan 8.240 nan 0.000 0.549 376 E N 0.230 120.447 120.200 0.028 0.000 2.308 376 E HA 0.405 4.755 4.350 -0.000 0.000 0.275 376 E C -1.394 175.229 176.600 0.037 0.000 0.890 376 E CA -1.080 55.334 56.400 0.023 0.000 0.754 376 E CB 0.982 30.690 29.700 0.014 0.000 1.207 376 E HN -0.096 nan 8.360 nan 0.000 0.426 377 T N 2.659 117.235 114.554 0.037 0.000 2.800 377 T HA 0.069 4.419 4.350 -0.000 0.000 0.283 377 T C -0.412 174.328 174.700 0.066 0.000 0.999 377 T CA 0.583 62.724 62.100 0.069 0.000 1.176 377 T CB 0.027 68.901 68.868 0.010 0.000 0.973 377 T HN 0.434 nan 8.240 nan 0.000 0.519 378 T N 4.311 118.929 114.554 0.108 0.000 2.841 378 T HA 0.250 4.600 4.350 -0.000 0.000 0.285 378 T C -0.436 174.333 174.700 0.114 0.000 0.991 378 T CA -0.963 61.184 62.100 0.079 0.000 0.966 378 T CB 1.193 70.091 68.868 0.051 0.000 0.962 378 T HN 0.446 nan 8.240 nan 0.000 0.438 379 D N 2.692 123.144 120.400 0.086 0.000 2.351 379 D HA 0.493 5.133 4.640 -0.000 0.000 0.251 379 D C 0.350 176.692 176.300 0.070 0.000 1.137 379 D CA -0.027 54.033 54.000 0.099 0.000 0.879 379 D CB 1.250 42.086 40.800 0.059 0.000 1.181 379 D HN 0.352 nan 8.370 nan 0.000 0.448 380 R N 0.975 121.519 120.500 0.073 0.000 2.634 380 R HA 0.106 4.446 4.340 -0.000 0.000 0.263 380 R C -1.512 174.810 176.300 0.037 0.000 1.060 380 R CA -0.542 55.582 56.100 0.041 0.000 0.898 380 R CB 1.009 31.323 30.300 0.024 0.000 1.253 380 R HN 0.002 nan 8.270 nan 0.000 0.461 381 E N 4.539 124.756 120.200 0.029 0.000 1.814 381 E HA 0.173 4.523 4.350 -0.000 0.000 0.264 381 E C -0.327 176.284 176.600 0.019 0.000 1.179 381 E CA -0.062 56.352 56.400 0.025 0.000 0.972 381 E CB 0.038 29.750 29.700 0.021 0.000 1.077 381 E HN 0.408 nan 8.360 nan 0.000 0.417 382 L N 1.088 122.319 121.223 0.013 0.000 2.395 382 L HA 0.211 4.551 4.340 -0.000 0.000 0.269 382 L C 1.477 178.360 176.870 0.022 0.000 1.133 382 L CA -0.099 54.751 54.840 0.016 0.000 0.812 382 L CB 0.731 42.788 42.059 -0.004 0.000 1.125 382 L HN 0.266 nan 8.230 nan 0.000 0.452 383 T N -0.928 113.644 114.554 0.030 0.000 3.098 383 T HA 0.080 4.430 4.350 -0.000 0.000 0.246 383 T C 0.351 175.072 174.700 0.036 0.000 0.983 383 T CA 0.384 62.500 62.100 0.028 0.000 1.094 383 T CB 0.591 69.474 68.868 0.024 0.000 1.035 383 T HN 0.612 nan 8.240 nan 0.000 0.456 384 T N 2.964 117.546 114.554 0.047 0.000 2.812 384 T HA 0.685 5.035 4.350 -0.000 0.000 0.282 384 T C -0.788 173.956 174.700 0.075 0.000 0.990 384 T CA -0.674 61.459 62.100 0.055 0.000 0.960 384 T CB 1.893 70.793 68.868 0.054 0.000 0.948 384 T HN 0.221 nan 8.240 nan 0.000 0.438 385 V N 1.073 121.035 119.914 0.080 0.000 2.962 385 V HA 0.856 4.976 4.120 -0.000 0.000 0.313 385 V C -0.721 175.410 176.094 0.062 0.000 1.099 385 V CA -1.207 61.157 62.300 0.108 0.000 0.971 385 V CB 2.192 34.124 31.823 0.182 0.000 1.028 385 V HN 0.972 nan 8.190 nan 0.000 0.430 386 M N 2.763 122.368 119.600 0.009 0.000 2.518 386 M HA 0.769 5.249 4.480 -0.000 0.000 0.300 386 M C -1.129 175.136 176.300 -0.058 0.000 1.175 386 M CA -0.268 55.032 55.300 0.000 0.000 0.890 386 M CB 2.292 34.917 32.600 0.042 0.000 1.710 386 M HN 0.976 nan 8.290 nan 0.000 0.453 387 S N 2.798 118.475 115.700 -0.039 0.000 2.557 387 S HA 0.614 5.084 4.470 -0.000 0.000 0.291 387 S C -1.470 173.062 174.600 -0.112 0.000 1.116 387 S CA -0.752 57.403 58.200 -0.075 0.000 0.992 387 S CB 1.157 64.326 63.200 -0.051 0.000 1.028 387 S HN 0.839 nan 8.310 nan 0.000 0.484 388 N N 1.991 120.572 118.700 -0.199 0.000 2.405 388 N HA 0.559 5.299 4.740 -0.000 0.000 0.299 388 N C -1.414 173.760 175.510 -0.561 0.000 1.075 388 N CA -0.431 52.358 53.050 -0.436 0.000 0.884 388 N CB 1.900 40.014 38.487 -0.621 0.000 1.194 388 N HN 0.449 nan 8.380 nan 0.000 0.491 389 S N 1.555 116.831 115.700 -0.706 0.000 2.733 389 S HA 0.550 5.020 4.470 -0.000 0.000 0.294 389 S C -1.401 172.855 174.600 -0.572 0.000 1.149 389 S CA -0.571 57.341 58.200 -0.480 0.000 1.034 389 S CB 0.318 63.383 63.200 -0.226 0.000 1.015 389 S HN 0.277 nan 8.310 nan 0.000 0.486 390 F N 1.600 121.170 119.950 -0.634 0.000 2.499 390 F HA 0.706 5.233 4.527 -0.000 0.000 0.333 390 F C 0.728 176.230 175.800 -0.497 0.000 1.138 390 F CA -1.052 56.594 58.000 -0.589 0.000 0.945 390 F CB 1.495 40.089 39.000 -0.677 0.000 1.181 390 F HN 0.613 nan 8.300 nan 0.000 0.435 391 G N 1.369 110.161 108.800 -0.012 0.000 2.597 391 G HA2 0.585 4.545 3.960 -0.000 0.000 0.317 391 G HA3 0.585 4.545 3.960 -0.000 0.000 0.317 391 G C -0.970 173.964 174.900 0.057 0.000 1.230 391 G CA -0.644 44.431 45.100 -0.043 0.000 0.996 391 G HN 0.184 nan 8.290 nan 0.000 0.490 392 F N 0.012 120.061 119.950 0.165 0.000 2.589 392 F HA 0.371 4.898 4.527 -0.000 0.000 0.352 392 F C 1.704 177.569 175.800 0.108 0.000 1.168 392 F CA 1.007 59.096 58.000 0.147 0.000 1.353 392 F CB 0.599 39.703 39.000 0.173 0.000 1.116 392 F HN 0.932 nan 8.300 nan 0.000 0.608 393 G N 0.340 109.330 108.800 0.316 0.000 2.157 393 G HA2 0.047 4.007 3.960 -0.000 0.000 0.248 393 G HA3 0.047 4.007 3.960 -0.000 0.000 0.248 393 G C 0.886 175.864 174.900 0.129 0.000 0.979 393 G CA 0.328 45.534 45.100 0.175 0.000 0.650 393 G HN 1.915 nan 8.290 nan 0.000 0.529 394 G N -1.093 107.792 108.800 0.142 0.000 2.273 394 G HA2 0.078 4.038 3.960 -0.000 0.000 0.280 394 G HA3 0.078 4.038 3.960 -0.000 0.000 0.280 394 G C 0.372 175.313 174.900 0.068 0.000 1.047 394 G CA 1.434 46.581 45.100 0.078 0.000 0.869 394 G HN 2.008 nan 8.290 nan 0.000 0.502 395 T N 0.247 114.868 114.554 0.111 0.000 2.767 395 T HA 0.578 4.928 4.350 -0.000 0.000 0.284 395 T C -0.042 174.781 174.700 0.205 0.000 0.973 395 T CA -0.658 61.533 62.100 0.151 0.000 0.996 395 T CB 0.404 69.381 68.868 0.182 0.000 0.927 395 T HN 0.296 nan 8.240 nan 0.000 0.456 396 N N 2.984 121.814 118.700 0.217 0.000 2.321 396 N HA 0.706 5.446 4.740 -0.000 0.000 0.299 396 N C -1.215 174.405 175.510 0.183 0.000 1.048 396 N CA -0.604 52.608 53.050 0.271 0.000 0.836 396 N CB 2.062 40.636 38.487 0.147 0.000 1.269 396 N HN 0.764 nan 8.380 nan 0.000 0.486 397 A N 0.868 123.730 122.820 0.069 0.000 2.455 397 A HA 0.745 5.065 4.320 -0.000 0.000 0.300 397 A C -0.819 176.754 177.584 -0.019 0.000 1.040 397 A CA -0.508 51.466 52.037 -0.106 0.000 0.697 397 A CB 1.313 20.005 19.000 -0.515 0.000 1.265 397 A HN 0.446 nan 8.150 nan 0.000 0.407 398 T N 2.451 117.036 114.554 0.051 0.000 2.881 398 T HA 0.589 4.939 4.350 -0.000 0.000 0.290 398 T C -0.825 173.940 174.700 0.108 0.000 1.000 398 T CA -0.250 61.881 62.100 0.051 0.000 0.978 398 T CB 0.916 69.838 68.868 0.091 0.000 0.997 398 T HN 0.499 nan 8.240 nan 0.000 0.443 399 L N 2.826 124.085 121.223 0.060 0.000 2.329 399 L HA 0.763 5.103 4.340 -0.000 0.000 0.279 399 L C -0.757 176.146 176.870 0.054 0.000 1.014 399 L CA -1.120 53.763 54.840 0.072 0.000 0.814 399 L CB 1.930 43.993 42.059 0.006 0.000 1.257 399 L HN 0.331 nan 8.230 nan 0.000 0.424 400 V N 4.213 124.168 119.914 0.067 0.000 2.444 400 V HA 0.498 4.618 4.120 -0.000 0.000 0.294 400 V C -0.124 175.997 176.094 0.044 0.000 1.022 400 V CA -0.345 61.990 62.300 0.058 0.000 0.850 400 V CB 1.778 33.643 31.823 0.070 0.000 0.992 400 V HN 0.714 nan 8.190 nan 0.000 0.426 401 M N 5.262 124.884 119.600 0.037 0.000 2.321 401 M HA 0.646 5.126 4.480 -0.000 0.000 0.315 401 M C -0.544 175.776 176.300 0.034 0.000 1.052 401 M CA -0.438 54.878 55.300 0.027 0.000 0.936 401 M CB 2.553 35.163 32.600 0.017 0.000 1.639 401 M HN 0.549 nan 8.290 nan 0.000 0.433 402 R N 1.708 122.224 120.500 0.026 0.000 2.686 402 R HA 0.469 4.809 4.340 -0.000 0.000 0.283 402 R C -0.960 175.349 176.300 0.015 0.000 0.978 402 R CA -0.772 55.343 56.100 0.024 0.000 0.897 402 R CB 2.017 32.330 30.300 0.022 0.000 1.192 402 R HN 0.631 nan 8.270 nan 0.000 0.457 403 K N 2.147 122.556 120.400 0.014 0.000 2.469 403 K HA -0.028 4.292 4.320 -0.000 0.000 0.274 403 K C -0.105 176.491 176.600 -0.006 0.000 0.983 403 K CA -0.044 56.245 56.287 0.002 0.000 0.974 403 K CB 0.354 32.856 32.500 0.003 0.000 0.913 403 K HN 0.254 nan 8.250 nan 0.000 0.493 404 L N 2.709 123.920 121.223 -0.020 0.000 2.418 404 L HA 0.113 4.453 4.340 -0.000 0.000 0.265 404 L C -0.073 176.787 176.870 -0.017 0.000 1.143 404 L CA 0.058 54.885 54.840 -0.021 0.000 0.809 404 L CB 0.753 42.792 42.059 -0.035 0.000 1.124 404 L HN 0.510 nan 8.230 nan 0.000 0.456 405 K N 1.948 122.340 120.400 -0.013 0.000 2.583 405 K HA 0.875 5.195 4.320 -0.000 0.000 0.266 405 K C -0.205 176.387 176.600 -0.013 0.000 1.037 405 K CA 0.158 56.438 56.287 -0.011 0.000 0.996 405 K CB -0.450 32.045 32.500 -0.008 0.000 1.307 405 K HN 0.696 nan 8.250 nan 0.000 0.502 406 D N 0.000 120.394 120.400 -0.010 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683