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 2buh_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.011 0.000 1.140 1 M CA 0.000 55.307 55.300 0.013 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 K N 2.338 122.742 120.400 0.007 0.000 2.336 2 K HA 0.389 4.709 4.320 -0.000 0.000 0.262 2 K C -0.511 176.091 176.600 0.002 0.000 0.992 2 K CA 0.423 56.712 56.287 0.003 0.000 0.927 2 K CB 0.297 32.796 32.500 -0.003 0.000 0.956 2 K HN 0.335 nan 8.250 nan 0.000 0.495 3 R N 0.576 121.075 120.500 -0.001 0.000 2.604 3 R HA 0.665 5.005 4.340 -0.000 0.000 0.287 3 R C -0.854 175.436 176.300 -0.016 0.000 0.970 3 R CA -0.936 55.162 56.100 -0.003 0.000 0.946 3 R CB 1.879 32.179 30.300 -0.001 0.000 1.127 3 R HN 0.617 nan 8.270 nan 0.000 0.473 4 A N 2.146 124.953 122.820 -0.022 0.000 2.318 4 A HA 0.635 4.955 4.320 -0.000 0.000 0.324 4 A C -0.390 177.169 177.584 -0.041 0.000 1.170 4 A CA -0.673 51.338 52.037 -0.042 0.000 0.810 4 A CB 1.084 20.049 19.000 -0.057 0.000 1.198 4 A HN 0.531 nan 8.150 nan 0.000 0.484 5 V N 0.166 120.050 119.914 -0.050 0.000 3.001 5 V HA 0.735 4.855 4.120 -0.000 0.000 0.314 5 V C -0.476 175.586 176.094 -0.054 0.000 1.099 5 V CA -0.938 61.336 62.300 -0.044 0.000 0.989 5 V CB 1.664 33.463 31.823 -0.041 0.000 1.040 5 V HN 0.680 nan 8.190 nan 0.000 0.434 6 I N 2.697 123.249 120.570 -0.029 0.000 2.304 6 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 6 I C 1.053 177.209 176.117 0.066 0.000 1.018 6 I CA -0.006 61.289 61.300 -0.008 0.000 1.260 6 I CB 1.917 39.913 38.000 -0.006 0.000 1.390 6 I HN 0.965 nan 8.210 nan 0.000 0.475 7 T N 0.821 115.396 114.554 0.036 0.000 3.085 7 T HA 0.475 4.825 4.350 -0.000 0.000 0.264 7 T C 0.391 175.185 174.700 0.156 0.000 1.019 7 T CA -0.411 61.717 62.100 0.046 0.000 0.910 7 T CB 0.349 69.206 68.868 -0.018 0.000 1.059 7 T HN 0.762 nan 8.240 nan 0.000 0.542 8 G N 1.319 110.250 108.800 0.218 0.000 2.616 8 G HA2 0.534 4.494 3.960 -0.000 0.000 0.294 8 G HA3 0.534 4.494 3.960 -0.000 0.000 0.294 8 G C -2.096 172.836 174.900 0.053 0.000 1.489 8 G CA -0.890 44.346 45.100 0.226 0.000 0.836 8 G HN 0.668 nan 8.290 nan 0.000 0.527 9 L N -1.348 119.882 121.223 0.013 0.000 2.469 9 L HA 1.069 5.409 4.340 -0.000 0.000 0.256 9 L C -0.070 176.765 176.870 -0.058 0.000 1.006 9 L CA -0.817 53.957 54.840 -0.110 0.000 0.832 9 L CB 1.821 43.698 42.059 -0.303 0.000 1.421 9 L HN 1.418 nan 8.230 nan 0.000 0.410 10 G N 0.698 109.453 108.800 -0.074 0.000 2.746 10 G HA2 0.745 4.705 3.960 -0.000 0.000 0.297 10 G HA3 0.745 4.705 3.960 -0.000 0.000 0.297 10 G C -2.104 172.763 174.900 -0.056 0.000 1.426 10 G CA -0.572 44.498 45.100 -0.049 0.000 0.989 10 G HN 1.061 nan 8.290 nan 0.000 0.520 11 I N 0.680 121.231 120.570 -0.031 0.000 2.787 11 I HA 0.612 4.782 4.170 -0.000 0.000 0.294 11 I C -1.591 174.519 176.117 -0.012 0.000 1.365 11 I CA -0.954 60.325 61.300 -0.034 0.000 1.029 11 I CB 2.315 40.286 38.000 -0.048 0.000 1.313 11 I HN 0.362 nan 8.210 nan 0.000 0.431 12 V N 6.436 126.331 119.914 -0.031 0.000 2.398 12 V HA 0.536 4.656 4.120 -0.000 0.000 0.282 12 V C -0.207 175.806 176.094 -0.134 0.000 1.014 12 V CA -0.164 62.102 62.300 -0.056 0.000 0.838 12 V CB 1.310 33.120 31.823 -0.023 0.000 1.018 12 V HN 0.839 nan 8.190 nan 0.000 0.432 13 S N 2.498 118.145 115.700 -0.088 0.000 2.811 13 S HA 0.479 4.949 4.470 -0.000 0.000 0.311 13 S C 1.130 175.675 174.600 -0.092 0.000 1.152 13 S CA 0.102 58.251 58.200 -0.084 0.000 0.864 13 S CB 1.776 65.010 63.200 0.056 0.000 1.226 13 S HN 0.809 nan 8.310 nan 0.000 0.541 14 S N 0.149 115.802 115.700 -0.078 0.000 2.481 14 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 14 S C 1.389 175.964 174.600 -0.042 0.000 0.996 14 S CA 0.784 58.939 58.200 -0.075 0.000 0.942 14 S CB -1.099 62.065 63.200 -0.061 0.000 0.768 14 S HN 0.934 nan 8.310 nan 0.000 0.520 15 I N -2.429 118.122 120.570 -0.032 0.000 3.974 15 I HA 0.672 4.842 4.170 -0.000 0.000 0.334 15 I C 0.540 176.643 176.117 -0.024 0.000 1.437 15 I CA -0.478 60.799 61.300 -0.039 0.000 1.113 15 I CB 0.272 38.223 38.000 -0.082 0.000 1.063 15 I HN 0.263 nan 8.210 nan 0.000 0.400 16 G N 1.065 109.858 108.800 -0.013 0.000 2.378 16 G HA2 0.050 4.010 3.960 -0.000 0.000 0.302 16 G HA3 0.050 4.010 3.960 -0.000 0.000 0.302 16 G C -0.866 174.033 174.900 -0.001 0.000 1.669 16 G CA -0.651 44.448 45.100 -0.002 0.000 0.920 16 G HN -0.003 nan 8.290 nan 0.000 0.697 17 N N 0.265 118.967 118.700 0.002 0.000 2.314 17 N HA 0.117 4.857 4.740 -0.000 0.000 0.200 17 N C 0.335 175.856 175.510 0.018 0.000 1.135 17 N CA 0.624 53.679 53.050 0.008 0.000 0.835 17 N CB 0.216 38.713 38.487 0.016 0.000 0.989 17 N HN 0.839 nan 8.380 nan 0.000 0.478 18 N N -1.978 116.734 118.700 0.020 0.000 3.355 18 N HA -0.051 4.689 4.740 -0.000 0.000 0.238 18 N C 0.350 175.878 175.510 0.031 0.000 1.466 18 N CA -0.675 52.389 53.050 0.024 0.000 0.882 18 N CB 0.476 38.979 38.487 0.026 0.000 1.406 18 N HN -0.147 nan 8.380 nan 0.000 0.500 19 Q N -1.043 118.779 119.800 0.037 0.000 2.226 19 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 19 Q C 0.755 176.778 176.000 0.040 0.000 0.975 19 Q CA 1.660 57.493 55.803 0.051 0.000 0.866 19 Q CB -0.315 28.462 28.738 0.066 0.000 0.915 19 Q HN 0.669 nan 8.270 nan 0.000 0.440 20 Q N 1.135 120.951 119.800 0.027 0.000 2.049 20 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 20 Q C 1.844 177.832 176.000 -0.021 0.000 0.971 20 Q CA 1.791 57.593 55.803 -0.001 0.000 0.833 20 Q CB 0.096 28.838 28.738 0.007 0.000 0.896 20 Q HN 0.544 nan 8.270 nan 0.000 0.434 21 E N -0.146 120.049 120.200 -0.007 0.000 2.106 21 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 21 E C 2.000 178.588 176.600 -0.020 0.000 0.984 21 E CA 1.285 57.676 56.400 -0.015 0.000 0.806 21 E CB -0.011 29.686 29.700 -0.005 0.000 0.750 21 E HN 0.122 nan 8.360 nan 0.000 0.458 22 V N 1.637 121.553 119.914 0.004 0.000 2.358 22 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 22 V C 2.314 178.403 176.094 -0.008 0.000 1.047 22 V CA 1.303 63.614 62.300 0.018 0.000 1.035 22 V CB -0.364 31.524 31.823 0.109 0.000 0.658 22 V HN 0.215 nan 8.190 nan 0.000 0.452 23 L N 1.005 122.217 121.223 -0.018 0.000 2.083 23 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 23 L C 2.400 179.181 176.870 -0.148 0.000 1.083 23 L CA 2.399 57.192 54.840 -0.077 0.000 0.752 23 L CB -0.909 41.041 42.059 -0.182 0.000 0.899 23 L HN 0.210 nan 8.230 nan 0.000 0.433 24 A N -1.362 121.384 122.820 -0.124 0.000 1.873 24 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 24 A C 2.375 179.891 177.584 -0.114 0.000 1.186 24 A CA 1.920 53.880 52.037 -0.129 0.000 0.616 24 A CB -1.013 17.933 19.000 -0.089 0.000 0.823 24 A HN 0.523 nan 8.150 nan 0.000 0.442 25 S N -0.025 115.624 115.700 -0.085 0.000 2.382 25 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 25 S C 1.836 176.385 174.600 -0.085 0.000 1.027 25 S CA 1.423 59.576 58.200 -0.079 0.000 0.991 25 S CB -0.478 62.677 63.200 -0.075 0.000 0.823 25 S HN 0.491 nan 8.310 nan 0.000 0.469 26 L N 0.856 122.032 121.223 -0.078 0.000 1.994 26 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 26 L C 2.711 179.587 176.870 0.010 0.000 1.071 26 L CA 1.369 56.203 54.840 -0.010 0.000 0.745 26 L CB -0.443 41.699 42.059 0.139 0.000 0.892 26 L HN 0.206 nan 8.230 nan 0.000 0.431 27 R N -0.059 120.336 120.500 -0.176 0.000 2.189 27 R HA -0.132 4.208 4.340 -0.000 0.000 0.223 27 R C 1.754 177.967 176.300 -0.146 0.000 1.092 27 R CA 0.987 56.904 56.100 -0.305 0.000 0.989 27 R CB -0.060 29.906 30.300 -0.558 0.000 0.876 27 R HN 0.486 nan 8.270 nan 0.000 0.457 28 E N -0.819 119.315 120.200 -0.110 0.000 2.474 28 E HA 0.074 4.424 4.350 -0.000 0.000 0.194 28 E C 0.681 177.253 176.600 -0.046 0.000 1.041 28 E CA 0.277 56.633 56.400 -0.074 0.000 0.874 28 E CB 0.693 30.351 29.700 -0.071 0.000 0.914 28 E HN 0.430 nan 8.360 nan 0.000 0.498 29 G N 2.986 111.763 108.800 -0.038 0.000 2.225 29 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.267 29 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.267 29 G C 0.204 175.083 174.900 -0.034 0.000 1.024 29 G CA 0.580 45.664 45.100 -0.027 0.000 0.784 29 G HN 0.251 nan 8.290 nan 0.000 0.507 30 R N 0.272 120.746 120.500 -0.043 0.000 2.491 30 R HA 0.450 4.790 4.340 -0.000 0.000 0.283 30 R C 0.689 176.966 176.300 -0.038 0.000 1.072 30 R CA 0.454 56.532 56.100 -0.037 0.000 1.048 30 R CB 0.455 30.731 30.300 -0.039 0.000 0.983 30 R HN 0.308 nan 8.270 nan 0.000 0.450 31 S N 1.684 117.371 115.700 -0.021 0.000 2.585 31 S HA 0.381 4.851 4.470 -0.000 0.000 0.277 31 S C 0.690 175.289 174.600 -0.001 0.000 1.241 31 S CA -0.300 57.892 58.200 -0.013 0.000 1.041 31 S CB 1.557 64.758 63.200 0.003 0.000 0.987 31 S HN 0.767 nan 8.310 nan 0.000 0.512 32 G N 3.262 112.063 108.800 0.001 0.000 3.324 32 G HA2 0.239 4.199 3.960 -0.000 0.000 0.251 32 G HA3 0.239 4.199 3.960 -0.000 0.000 0.251 32 G C 0.070 175.002 174.900 0.053 0.000 1.072 32 G CA -0.247 44.860 45.100 0.013 0.000 0.787 32 G HN 0.612 nan 8.290 nan 0.000 0.537 33 I N 2.761 123.376 120.570 0.076 0.000 2.395 33 I HA 0.368 4.538 4.170 -0.000 0.000 0.289 33 I C 0.687 176.908 176.117 0.174 0.000 1.023 33 I CA -0.227 61.155 61.300 0.137 0.000 1.350 33 I CB 0.361 38.431 38.000 0.117 0.000 1.409 33 I HN 0.089 nan 8.210 nan 0.000 0.507 34 T N 2.841 117.557 114.554 0.269 0.000 2.838 34 T HA 0.549 4.899 4.350 -0.000 0.000 0.292 34 T C -0.551 174.315 174.700 0.278 0.000 1.113 34 T CA -0.732 61.533 62.100 0.274 0.000 1.008 34 T CB 1.759 70.800 68.868 0.287 0.000 1.259 34 T HN 0.198 nan 8.240 nan 0.000 0.520 35 F N 1.514 121.518 119.950 0.090 0.000 2.429 35 F HA 0.582 5.109 4.527 -0.000 0.000 0.348 35 F C 0.444 176.155 175.800 -0.147 0.000 1.109 35 F CA -0.208 57.783 58.000 -0.014 0.000 1.232 35 F CB 1.074 40.075 39.000 0.001 0.000 1.157 35 F HN 0.657 nan 8.300 nan 0.000 0.564 36 S N 4.840 119.742 115.700 -1.331 0.000 2.594 36 S HA 0.179 4.649 4.470 -0.000 0.000 0.322 36 S C 0.573 174.368 174.600 -1.342 0.000 1.085 36 S CA -0.658 56.699 58.200 -1.405 0.000 1.116 36 S CB 1.149 63.008 63.200 -2.235 0.000 0.979 36 S HN 0.873 nan 8.310 nan 0.000 0.465 37 Q N 3.417 122.777 119.800 -0.733 0.000 2.170 37 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 37 Q C 1.732 177.502 176.000 -0.383 0.000 0.976 37 Q CA 2.105 57.681 55.803 -0.378 0.000 0.858 37 Q CB -0.136 28.583 28.738 -0.031 0.000 0.907 37 Q HN 0.896 nan 8.270 nan 0.000 0.433 38 E N -0.520 119.454 120.200 -0.377 0.000 2.051 38 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 38 E C 1.844 178.257 176.600 -0.313 0.000 0.991 38 E CA 1.256 57.513 56.400 -0.239 0.000 0.799 38 E CB -0.168 29.517 29.700 -0.026 0.000 0.748 38 E HN 0.451 nan 8.360 nan 0.000 0.449 39 L N 0.623 121.546 121.223 -0.501 0.000 2.046 39 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 39 L C 2.830 179.498 176.870 -0.337 0.000 1.077 39 L CA 1.486 56.127 54.840 -0.331 0.000 0.747 39 L CB -0.468 41.351 42.059 -0.400 0.000 0.896 39 L HN 0.144 nan 8.230 nan 0.000 0.432 40 K N 0.169 120.218 120.400 -0.584 0.000 2.025 40 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 40 K C 1.690 178.062 176.600 -0.379 0.000 1.049 40 K CA 1.625 57.480 56.287 -0.720 0.000 0.933 40 K CB 0.027 31.981 32.500 -0.910 0.000 0.714 40 K HN 0.200 nan 8.250 nan 0.000 0.438 41 D N 0.269 120.477 120.400 -0.320 0.000 2.218 41 D HA -0.129 4.511 4.640 -0.000 0.000 0.204 41 D C 1.891 178.008 176.300 -0.304 0.000 0.976 41 D CA 1.487 55.334 54.000 -0.254 0.000 0.853 41 D CB -0.094 40.573 40.800 -0.222 0.000 0.939 41 D HN 0.366 nan 8.370 nan 0.000 0.481 42 S N -0.806 114.668 115.700 -0.376 0.000 2.481 42 S HA 0.101 4.571 4.470 -0.000 0.000 0.231 42 S C 1.768 176.203 174.600 -0.274 0.000 0.996 42 S CA 1.160 59.058 58.200 -0.503 0.000 0.942 42 S CB 0.255 63.115 63.200 -0.568 0.000 0.768 42 S HN 0.327 nan 8.310 nan 0.000 0.520 43 G N 0.406 109.109 108.800 -0.162 0.000 2.184 43 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.206 43 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.206 43 G C 0.060 174.970 174.900 0.015 0.000 0.995 43 G CA -0.004 45.056 45.100 -0.067 0.000 0.651 43 G HN 0.472 nan 8.290 nan 0.000 0.511 44 M N -0.185 119.438 119.600 0.038 0.000 2.207 44 M HA 0.346 4.826 4.480 -0.000 0.000 0.311 44 M C 1.871 178.274 176.300 0.172 0.000 1.127 44 M CA 0.304 55.665 55.300 0.103 0.000 1.181 44 M CB 0.424 33.093 32.600 0.115 0.000 1.409 44 M HN 0.172 nan 8.290 nan 0.000 0.461 45 R N -0.281 120.261 120.500 0.071 0.000 2.156 45 R HA 0.096 4.436 4.340 -0.000 0.000 0.207 45 R C 0.519 176.693 176.300 -0.209 0.000 1.040 45 R CA 0.229 56.295 56.100 -0.056 0.000 1.013 45 R CB 0.247 30.518 30.300 -0.048 0.000 0.931 45 R HN 0.586 nan 8.270 nan 0.000 0.465 46 S N 0.243 115.917 115.700 -0.043 0.000 2.489 46 S HA 0.115 4.585 4.470 -0.000 0.000 0.277 46 S C -0.013 174.643 174.600 0.093 0.000 1.230 46 S CA -0.468 57.709 58.200 -0.038 0.000 1.053 46 S CB 0.381 63.581 63.200 0.000 0.000 0.955 46 S HN 0.337 nan 8.310 nan 0.000 0.488 47 H N 2.610 121.629 119.070 -0.085 0.000 2.662 47 H HA 0.312 4.868 4.556 -0.000 0.000 0.268 47 H C -0.050 175.066 175.328 -0.352 0.000 1.152 47 H CA -0.513 55.380 56.048 -0.258 0.000 1.072 47 H CB 0.721 30.427 29.762 -0.093 0.000 1.660 47 H HN 0.467 nan 8.280 nan 0.000 0.584 48 V N -1.630 118.251 119.914 -0.056 0.000 2.914 48 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 48 V C -1.311 174.860 176.094 0.130 0.000 1.084 48 V CA -0.863 61.436 62.300 -0.002 0.000 0.963 48 V CB 2.222 34.121 31.823 0.126 0.000 1.025 48 V HN 0.378 nan 8.190 nan 0.000 0.432 49 W N 1.247 122.570 121.300 0.039 0.000 3.005 49 W HA 0.817 5.477 4.660 -0.000 0.000 0.343 49 W C -0.351 176.193 176.519 0.042 0.000 1.243 49 W CA -1.709 55.662 57.345 0.044 0.000 1.186 49 W CB 0.822 30.305 29.460 0.038 0.000 1.453 49 W HN 1.040 nan 8.180 nan 0.000 0.575 50 G N 2.004 110.912 108.800 0.181 0.000 2.922 50 G HA2 0.391 4.351 3.960 -0.000 0.000 0.335 50 G HA3 0.391 4.351 3.960 -0.000 0.000 0.335 50 G C -0.423 174.342 174.900 -0.226 0.000 1.016 50 G CA -0.825 44.280 45.100 0.008 0.000 1.306 50 G HN 0.610 nan 8.290 nan 0.000 0.465 51 N N -0.141 118.322 118.700 -0.394 0.000 2.483 51 N HA 0.409 5.149 4.740 -0.000 0.000 0.269 51 N C -0.495 174.842 175.510 -0.288 0.000 1.209 51 N CA -0.880 51.836 53.050 -0.558 0.000 0.969 51 N CB 1.944 39.991 38.487 -0.732 0.000 1.173 51 N HN -0.023 nan 8.380 nan 0.000 0.475 52 V N 1.489 121.231 119.914 -0.287 0.000 2.408 52 V HA 0.069 4.189 4.120 -0.000 0.000 0.267 52 V C 0.100 176.140 176.094 -0.090 0.000 1.047 52 V CA -0.601 61.574 62.300 -0.209 0.000 0.937 52 V CB 0.614 32.234 31.823 -0.338 0.000 0.999 52 V HN 0.683 nan 8.190 nan 0.000 0.472 53 K N 6.231 126.601 120.400 -0.052 0.000 2.111 53 K HA 0.446 4.766 4.320 -0.000 0.000 0.249 53 K C -0.839 175.769 176.600 0.012 0.000 1.157 53 K CA -0.249 56.035 56.287 -0.004 0.000 1.048 53 K CB 0.334 32.838 32.500 0.006 0.000 1.498 53 K HN 0.431 nan 8.250 nan 0.000 0.344 54 L N 0.905 122.147 121.223 0.031 0.000 2.565 54 L HA 0.294 4.634 4.340 -0.000 0.000 0.261 54 L C -1.761 175.146 176.870 0.063 0.000 0.932 54 L CA -0.434 54.436 54.840 0.049 0.000 0.878 54 L CB 2.284 44.380 42.059 0.062 0.000 1.333 54 L HN 0.226 nan 8.230 nan 0.000 0.409 55 D N 2.057 122.488 120.400 0.051 0.000 2.456 55 D HA 0.251 4.891 4.640 -0.000 0.000 0.219 55 D C 0.948 177.273 176.300 0.043 0.000 1.126 55 D CA 0.390 54.416 54.000 0.044 0.000 0.890 55 D CB 1.196 42.016 40.800 0.034 0.000 1.025 55 D HN 0.699 nan 8.370 nan 0.000 0.511 56 T N -0.197 114.384 114.554 0.045 0.000 3.160 56 T HA -0.011 4.339 4.350 -0.000 0.000 0.257 56 T C 0.855 175.558 174.700 0.005 0.000 1.147 56 T CA -0.168 61.954 62.100 0.036 0.000 1.064 56 T CB -0.485 68.402 68.868 0.031 0.000 0.949 56 T HN 0.218 nan 8.240 nan 0.000 0.526 57 T N 2.587 117.142 114.554 0.001 0.000 2.822 57 T HA 0.385 4.735 4.350 -0.000 0.000 0.288 57 T C 1.525 176.217 174.700 -0.013 0.000 0.991 57 T CA 0.833 62.925 62.100 -0.014 0.000 1.176 57 T CB -0.074 68.790 68.868 -0.006 0.000 0.951 57 T HN 0.743 nan 8.240 nan 0.000 0.526 58 G N 2.815 111.596 108.800 -0.031 0.000 2.168 58 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.263 58 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.263 58 G C 0.801 175.694 174.900 -0.013 0.000 0.977 58 G CA 0.333 45.417 45.100 -0.027 0.000 0.659 58 G HN 0.704 nan 8.290 nan 0.000 0.533 59 L N -0.621 120.599 121.223 -0.005 0.000 2.418 59 L HA 0.393 4.733 4.340 -0.000 0.000 0.218 59 L C 1.174 178.062 176.870 0.029 0.000 1.125 59 L CA 0.622 55.480 54.840 0.031 0.000 0.835 59 L CB 0.036 42.130 42.059 0.059 0.000 0.953 59 L HN 0.283 nan 8.230 nan 0.000 0.454 60 I N -0.812 119.724 120.570 -0.056 0.000 2.545 60 I HA 0.157 4.327 4.170 -0.000 0.000 0.292 60 I C -0.435 175.583 176.117 -0.165 0.000 1.040 60 I CA -0.927 60.278 61.300 -0.158 0.000 1.068 60 I CB 2.296 40.069 38.000 -0.378 0.000 1.251 60 I HN -0.157 nan 8.210 nan 0.000 0.424 61 D N 4.054 124.362 120.400 -0.154 0.000 2.571 61 D HA -0.078 4.562 4.640 -0.000 0.000 0.231 61 D C 1.452 177.654 176.300 -0.164 0.000 1.133 61 D CA 0.522 54.447 54.000 -0.125 0.000 0.862 61 D CB 1.075 41.815 40.800 -0.101 0.000 1.179 61 D HN 0.483 nan 8.370 nan 0.000 0.474 62 R N 3.027 123.445 120.500 -0.138 0.000 2.096 62 R HA -0.218 4.122 4.340 -0.000 0.000 0.240 62 R C 1.380 177.551 176.300 -0.215 0.000 1.139 62 R CA 1.665 57.664 56.100 -0.169 0.000 0.952 62 R CB -0.007 30.215 30.300 -0.130 0.000 0.854 62 R HN 0.490 nan 8.270 nan 0.000 0.436 63 K N -0.315 119.994 120.400 -0.152 0.000 2.362 63 K HA -0.043 4.277 4.320 -0.000 0.000 0.200 63 K C 1.783 178.351 176.600 -0.053 0.000 1.046 63 K CA 0.888 57.103 56.287 -0.119 0.000 0.952 63 K CB 0.308 32.791 32.500 -0.028 0.000 0.753 63 K HN 0.110 nan 8.250 nan 0.000 0.466 64 V N -0.411 119.436 119.914 -0.111 0.000 2.581 64 V HA -0.084 4.036 4.120 -0.000 0.000 0.240 64 V C 1.809 177.799 176.094 -0.173 0.000 1.054 64 V CA 0.739 62.986 62.300 -0.088 0.000 1.076 64 V CB 0.387 32.065 31.823 -0.241 0.000 0.748 64 V HN 0.071 nan 8.190 nan 0.000 0.474 65 V N 2.466 122.198 119.914 -0.304 0.000 2.913 65 V HA -0.204 3.916 4.120 -0.000 0.000 0.260 65 V C 2.730 178.594 176.094 -0.382 0.000 1.098 65 V CA 2.142 64.241 62.300 -0.334 0.000 1.121 65 V CB -0.667 30.971 31.823 -0.308 0.000 0.714 65 V HN 0.735 nan 8.190 nan 0.000 0.487 66 R N -0.697 119.485 120.500 -0.531 0.000 2.200 66 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 66 R C 1.683 177.384 176.300 -0.999 0.000 1.127 66 R CA 2.231 57.799 56.100 -0.886 0.000 0.989 66 R CB -0.724 28.811 30.300 -1.276 0.000 0.869 66 R HN 0.525 nan 8.270 nan 0.000 0.459 67 F N 0.745 120.447 119.950 -0.413 0.000 2.727 67 F HA 0.367 4.894 4.527 -0.000 0.000 0.302 67 F C 0.704 176.340 175.800 -0.273 0.000 1.097 67 F CA -0.461 57.386 58.000 -0.254 0.000 1.330 67 F CB 0.178 39.100 39.000 -0.130 0.000 1.084 67 F HN -0.125 nan 8.300 nan 0.000 0.578 68 M N 0.198 119.676 119.600 -0.204 0.000 2.363 68 M HA 0.363 4.842 4.480 -0.000 0.000 0.343 68 M C 0.361 176.425 176.300 -0.394 0.000 1.165 68 M CA -0.668 54.488 55.300 -0.241 0.000 1.046 68 M CB 1.646 34.118 32.600 -0.213 0.000 1.648 68 M HN 0.010 nan 8.290 nan 0.000 0.452 69 S N -0.186 115.322 115.700 -0.321 0.000 2.730 69 S HA 0.328 4.798 4.470 -0.000 0.000 0.284 69 S C 0.316 174.826 174.600 -0.151 0.000 1.153 69 S CA -0.777 57.264 58.200 -0.264 0.000 0.995 69 S CB 1.119 64.266 63.200 -0.089 0.000 1.058 69 S HN 0.674 nan 8.310 nan 0.000 0.552 70 D N 1.120 121.464 120.400 -0.093 0.000 2.149 70 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 70 D C 2.173 178.213 176.300 -0.434 0.000 0.990 70 D CA 1.792 55.562 54.000 -0.383 0.000 0.839 70 D CB -0.873 39.727 40.800 -0.333 0.000 0.948 70 D HN 0.686 nan 8.370 nan 0.000 0.460 71 A N 0.458 123.219 122.820 -0.098 0.000 1.908 71 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 71 A C 2.455 180.060 177.584 0.035 0.000 1.181 71 A CA 2.017 54.084 52.037 0.050 0.000 0.627 71 A CB -0.573 18.477 19.000 0.084 0.000 0.818 71 A HN 0.187 nan 8.150 nan 0.000 0.445 72 S N -0.420 115.270 115.700 -0.017 0.000 2.387 72 S HA -0.036 4.434 4.470 -0.000 0.000 0.226 72 S C 1.801 176.423 174.600 0.037 0.000 1.026 72 S CA 1.189 59.403 58.200 0.024 0.000 0.972 72 S CB -0.434 62.758 63.200 -0.014 0.000 0.814 72 S HN 0.532 nan 8.310 nan 0.000 0.477 73 I N 0.481 120.988 120.570 -0.104 0.000 2.142 73 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 73 I C 2.075 178.236 176.117 0.074 0.000 1.078 73 I CA 1.414 62.653 61.300 -0.102 0.000 1.343 73 I CB -0.436 37.395 38.000 -0.282 0.000 1.046 73 I HN 0.261 nan 8.210 nan 0.000 0.405 74 Y N 0.816 121.162 120.300 0.077 0.000 2.128 74 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 74 Y C 2.662 178.611 175.900 0.082 0.000 1.154 74 Y CA 0.923 59.062 58.100 0.066 0.000 1.149 74 Y CB -1.378 37.100 38.460 0.030 0.000 0.976 74 Y HN 0.135 nan 8.280 nan 0.000 0.505 75 A N -0.407 122.563 122.820 0.250 0.000 1.902 75 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 75 A C 2.214 179.903 177.584 0.174 0.000 1.181 75 A CA 1.403 53.538 52.037 0.164 0.000 0.623 75 A CB -1.388 17.692 19.000 0.133 0.000 0.818 75 A HN 0.452 nan 8.150 nan 0.000 0.443 76 F N 0.721 120.730 119.950 0.099 0.000 2.095 76 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 76 F C 1.932 177.825 175.800 0.155 0.000 1.104 76 F CA 1.928 60.027 58.000 0.164 0.000 1.232 76 F CB -0.219 38.848 39.000 0.113 0.000 0.987 76 F HN 0.149 nan 8.300 nan 0.000 0.475 77 L N -0.655 120.772 121.223 0.341 0.000 2.083 77 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 77 L C 2.498 179.402 176.870 0.058 0.000 1.083 77 L CA 1.463 56.428 54.840 0.208 0.000 0.752 77 L CB -0.958 41.236 42.059 0.226 0.000 0.899 77 L HN 0.087 nan 8.230 nan 0.000 0.433 78 S N -0.467 115.263 115.700 0.051 0.000 2.402 78 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 78 S C 1.901 176.441 174.600 -0.100 0.000 1.021 78 S CA 1.402 59.594 58.200 -0.013 0.000 0.974 78 S CB -0.179 63.020 63.200 -0.001 0.000 0.800 78 S HN 0.377 nan 8.310 nan 0.000 0.484 79 M N 1.295 120.782 119.600 -0.188 0.000 2.254 79 M HA -0.031 4.448 4.480 -0.000 0.000 0.265 79 M C 1.802 177.804 176.300 -0.497 0.000 1.066 79 M CA 1.293 56.340 55.300 -0.422 0.000 1.123 79 M CB -0.053 32.133 32.600 -0.690 0.000 1.388 79 M HN 0.202 nan 8.290 nan 0.000 0.425 80 E N -0.086 119.918 120.200 -0.327 0.000 2.072 80 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 80 E C 2.036 178.566 176.600 -0.116 0.000 0.985 80 E CA 1.397 57.684 56.400 -0.189 0.000 0.801 80 E CB -0.141 29.519 29.700 -0.067 0.000 0.750 80 E HN 0.680 nan 8.360 nan 0.000 0.452 81 Q N 0.346 120.099 119.800 -0.078 0.000 2.050 81 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 81 Q C 2.256 178.236 176.000 -0.034 0.000 0.980 81 Q CA 1.394 57.179 55.803 -0.031 0.000 0.840 81 Q CB -0.191 28.540 28.738 -0.013 0.000 0.898 81 Q HN 0.215 nan 8.270 nan 0.000 0.424 82 A N 0.852 123.632 122.820 -0.068 0.000 1.902 82 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 82 A C 2.036 179.609 177.584 -0.019 0.000 1.181 82 A CA 1.131 53.149 52.037 -0.032 0.000 0.623 82 A CB -0.626 18.355 19.000 -0.031 0.000 0.818 82 A HN 0.303 nan 8.150 nan 0.000 0.443 83 I N -0.403 120.101 120.570 -0.110 0.000 2.142 83 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 83 I C 3.006 179.103 176.117 -0.033 0.000 1.078 83 I CA 1.159 62.380 61.300 -0.132 0.000 1.343 83 I CB -0.357 37.424 38.000 -0.364 0.000 1.046 83 I HN 0.372 nan 8.210 nan 0.000 0.405 84 A N 0.270 123.080 122.820 -0.016 0.000 1.873 84 A HA -0.295 4.025 4.320 -0.000 0.000 0.215 84 A C 1.989 179.597 177.584 0.040 0.000 1.186 84 A CA 2.235 54.286 52.037 0.024 0.000 0.616 84 A CB -0.801 18.215 19.000 0.026 0.000 0.823 84 A HN 0.451 nan 8.150 nan 0.000 0.442 85 D N -0.336 120.094 120.400 0.050 0.000 2.265 85 D HA -0.005 4.634 4.640 -0.000 0.000 0.208 85 D C 1.705 178.071 176.300 0.111 0.000 0.977 85 D CA 1.296 55.351 54.000 0.092 0.000 0.871 85 D CB -0.095 40.783 40.800 0.129 0.000 0.925 85 D HN 0.358 nan 8.370 nan 0.000 0.485 86 A N -0.858 122.011 122.820 0.081 0.000 2.132 86 A HA 0.435 4.755 4.320 -0.000 0.000 0.213 86 A C 1.876 179.494 177.584 0.057 0.000 1.154 86 A CA 0.893 52.973 52.037 0.072 0.000 0.753 86 A CB -0.340 18.681 19.000 0.035 0.000 0.826 86 A HN 0.434 nan 8.150 nan 0.000 0.469 87 G N -1.072 107.761 108.800 0.054 0.000 2.147 87 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 87 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 87 G C -0.057 174.885 174.900 0.071 0.000 1.005 87 G CA 0.354 45.486 45.100 0.052 0.000 0.713 87 G HN 0.436 nan 8.290 nan 0.000 0.515 88 L N 1.130 122.406 121.223 0.089 0.000 2.325 88 L HA 0.723 5.063 4.340 -0.000 0.000 0.279 88 L C 0.842 177.850 176.870 0.230 0.000 1.054 88 L CA -0.289 54.644 54.840 0.156 0.000 0.804 88 L CB 1.884 44.037 42.059 0.157 0.000 1.200 88 L HN 0.400 nan 8.230 nan 0.000 0.436 89 S N 0.859 116.719 115.700 0.267 0.000 2.600 89 S HA 0.551 5.021 4.470 -0.000 0.000 0.300 89 S C -2.275 172.427 174.600 0.170 0.000 1.087 89 S CA -1.501 56.839 58.200 0.233 0.000 0.965 89 S CB 2.038 65.304 63.200 0.111 0.000 1.089 89 S HN 0.297 nan 8.310 nan 0.000 0.496 90 P HA -0.244 nan 4.420 nan 0.000 0.217 90 P C 1.371 178.485 177.300 -0.309 0.000 1.162 90 P CA 1.768 64.629 63.100 -0.399 0.000 0.901 90 P CB -0.078 31.501 31.700 -0.203 0.000 0.793 91 E N -0.576 119.550 120.200 -0.123 0.000 2.267 91 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 91 E C 1.756 178.330 176.600 -0.044 0.000 0.998 91 E CA 1.701 58.054 56.400 -0.078 0.000 0.830 91 E CB -1.058 28.623 29.700 -0.032 0.000 0.751 91 E HN 0.294 nan 8.360 nan 0.000 0.491 92 A N 0.579 123.401 122.820 0.004 0.000 2.014 92 A HA 0.049 4.369 4.320 -0.000 0.000 0.210 92 A C 1.778 179.448 177.584 0.142 0.000 1.188 92 A CA 0.636 52.727 52.037 0.088 0.000 0.731 92 A CB -0.318 18.770 19.000 0.147 0.000 0.858 92 A HN 0.388 nan 8.150 nan 0.000 0.464 93 Y N -1.270 119.071 120.300 0.069 0.000 2.444 93 Y HA 0.459 5.009 4.550 -0.000 0.000 0.252 93 Y C 0.701 176.629 175.900 0.047 0.000 1.091 93 Y CA -0.565 57.590 58.100 0.093 0.000 1.276 93 Y CB -0.130 38.447 38.460 0.196 0.000 1.170 93 Y HN 0.160 nan 8.280 nan 0.000 0.517 94 Q N 1.909 121.400 119.800 -0.515 0.000 2.259 94 Q HA 0.192 4.531 4.340 -0.000 0.000 0.246 94 Q C -0.217 175.590 176.000 -0.321 0.000 0.920 94 Q CA -0.471 55.083 55.803 -0.415 0.000 0.895 94 Q CB 0.535 28.973 28.738 -0.500 0.000 1.220 94 Q HN 0.378 nan 8.270 nan 0.000 0.439 95 N N 1.832 120.226 118.700 -0.509 0.000 2.716 95 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 95 N C -1.134 174.139 175.510 -0.396 0.000 1.033 95 N CA 0.759 53.286 53.050 -0.871 0.000 0.727 95 N CB -1.109 37.127 38.487 -0.419 0.000 0.950 95 N HN 0.547 nan 8.380 nan 0.000 0.541 96 N N 0.579 119.150 118.700 -0.215 0.000 2.483 96 N HA 0.247 4.987 4.740 -0.000 0.000 0.267 96 N C -1.623 173.944 175.510 0.095 0.000 0.998 96 N CA -1.843 51.205 53.050 -0.004 0.000 0.918 96 N CB 1.482 39.981 38.487 0.020 0.000 1.215 96 N HN -0.100 nan 8.380 nan 0.000 0.500 97 P HA -0.081 nan 4.420 nan 0.000 0.226 97 P C 0.509 177.852 177.300 0.070 0.000 1.146 97 P CA 0.791 63.966 63.100 0.126 0.000 0.773 97 P CB 0.505 32.265 31.700 0.099 0.000 0.772 98 R N -0.430 120.097 120.500 0.046 0.000 2.317 98 R HA 0.225 4.565 4.340 -0.000 0.000 0.208 98 R C 0.254 176.540 176.300 -0.023 0.000 0.914 98 R CA -0.045 56.056 56.100 0.002 0.000 1.060 98 R CB 0.153 30.444 30.300 -0.015 0.000 1.015 98 R HN 0.157 nan 8.270 nan 0.000 0.498 99 V N 0.249 120.181 119.914 0.030 0.000 2.448 99 V HA 0.644 4.764 4.120 -0.000 0.000 0.295 99 V C 0.497 176.646 176.094 0.091 0.000 1.025 99 V CA -0.764 61.565 62.300 0.049 0.000 0.859 99 V CB 1.754 33.668 31.823 0.151 0.000 0.988 99 V HN 0.279 nan 8.190 nan 0.000 0.431 100 G N 3.093 111.924 108.800 0.052 0.000 3.140 100 G HA2 0.813 4.773 3.960 -0.000 0.000 0.271 100 G HA3 0.813 4.773 3.960 -0.000 0.000 0.271 100 G C -1.787 173.174 174.900 0.102 0.000 1.370 100 G CA -0.747 44.382 45.100 0.048 0.000 1.014 100 G HN 0.692 nan 8.290 nan 0.000 0.541 101 L N -0.459 120.765 121.223 0.002 0.000 2.562 101 L HA 0.694 5.034 4.340 -0.000 0.000 0.266 101 L C -1.542 175.247 176.870 -0.134 0.000 0.949 101 L CA -0.425 54.419 54.840 0.006 0.000 0.879 101 L CB 1.711 43.790 42.059 0.033 0.000 1.278 101 L HN 0.437 nan 8.230 nan 0.000 0.404 102 I N 5.318 125.815 120.570 -0.121 0.000 2.476 102 I HA 0.814 4.984 4.170 -0.000 0.000 0.281 102 I C -0.519 175.575 176.117 -0.039 0.000 1.040 102 I CA -0.391 60.815 61.300 -0.155 0.000 1.094 102 I CB 1.671 39.562 38.000 -0.182 0.000 1.219 102 I HN 0.786 nan 8.210 nan 0.000 0.450 103 A N 4.304 127.126 122.820 0.003 0.000 2.547 103 A HA 0.949 5.269 4.320 -0.000 0.000 0.297 103 A C -0.697 176.924 177.584 0.062 0.000 1.056 103 A CA -0.425 51.630 52.037 0.031 0.000 0.688 103 A CB 1.863 20.878 19.000 0.024 0.000 1.282 103 A HN 0.748 nan 8.150 nan 0.000 0.400 104 G N -0.179 108.662 108.800 0.068 0.000 2.788 104 G HA2 0.816 4.776 3.960 -0.000 0.000 0.293 104 G HA3 0.816 4.776 3.960 -0.000 0.000 0.293 104 G C -0.495 174.452 174.900 0.078 0.000 1.392 104 G CA 0.173 45.322 45.100 0.082 0.000 0.810 104 G HN 1.804 nan 8.290 nan 0.000 0.508 105 S N -1.872 113.879 115.700 0.084 0.000 2.634 105 S HA 0.694 5.164 4.470 -0.000 0.000 0.296 105 S C 1.012 175.668 174.600 0.093 0.000 1.104 105 S CA 0.165 58.417 58.200 0.086 0.000 0.920 105 S CB 1.634 64.889 63.200 0.092 0.000 1.111 105 S HN 1.396 nan 8.310 nan 0.000 0.493 106 G N -0.269 108.590 108.800 0.097 0.000 2.426 106 G HA2 0.337 4.297 3.960 -0.000 0.000 0.214 106 G HA3 0.337 4.297 3.960 -0.000 0.000 0.214 106 G C 0.832 175.816 174.900 0.140 0.000 1.156 106 G CA 0.314 45.485 45.100 0.119 0.000 0.802 106 G HN 1.170 nan 8.290 nan 0.000 0.534 107 G N -1.060 107.822 108.800 0.138 0.000 3.596 107 G HA2 0.467 4.427 3.960 -0.000 0.000 0.274 107 G HA3 0.467 4.427 3.960 -0.000 0.000 0.274 107 G C 1.066 176.029 174.900 0.106 0.000 1.007 107 G CA 0.744 45.924 45.100 0.132 0.000 0.825 107 G HN 1.024 nan 8.290 nan 0.000 0.508 108 G N 0.552 109.412 108.800 0.100 0.000 2.677 108 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.321 108 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.321 108 G C 0.486 175.448 174.900 0.103 0.000 1.181 108 G CA 0.909 46.064 45.100 0.092 0.000 0.965 108 G HN 1.513 nan 8.290 nan 0.000 0.548 109 S N 1.248 117.016 115.700 0.112 0.000 2.413 109 S HA 0.624 5.094 4.470 -0.000 0.000 0.170 109 S C -1.597 173.076 174.600 0.121 0.000 1.294 109 S CA 0.184 58.472 58.200 0.146 0.000 1.201 109 S CB 1.689 65.028 63.200 0.231 0.000 1.328 109 S HN 0.251 nan 8.310 nan 0.000 0.418 110 P HA -0.068 nan 4.420 nan 0.000 0.220 110 P C 1.495 178.762 177.300 -0.055 0.000 1.148 110 P CA 0.574 63.673 63.100 -0.002 0.000 0.803 110 P CB 0.140 31.818 31.700 -0.037 0.000 0.782 111 R N -0.817 119.634 120.500 -0.082 0.000 2.073 111 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 111 R C 1.773 177.951 176.300 -0.202 0.000 1.134 111 R CA 1.670 57.639 56.100 -0.217 0.000 0.952 111 R CB -0.892 29.227 30.300 -0.302 0.000 0.850 111 R HN 0.096 nan 8.270 nan 0.000 0.433 112 F N 0.883 120.863 119.950 0.051 0.000 2.456 112 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 112 F C 2.577 178.490 175.800 0.189 0.000 1.104 112 F CA 0.613 58.703 58.000 0.151 0.000 1.435 112 F CB 0.019 39.069 39.000 0.084 0.000 1.078 112 F HN 0.070 nan 8.300 nan 0.000 0.546 113 Q N 0.032 119.962 119.800 0.218 0.000 2.016 113 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 113 Q C 2.582 178.633 176.000 0.085 0.000 0.978 113 Q CA 1.556 57.441 55.803 0.137 0.000 0.833 113 Q CB -0.740 28.047 28.738 0.080 0.000 0.895 113 Q HN 0.291 nan 8.270 nan 0.000 0.427 114 V N 1.088 121.026 119.914 0.040 0.000 2.427 114 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 114 V C 2.060 178.177 176.094 0.037 0.000 1.051 114 V CA 1.593 63.899 62.300 0.009 0.000 1.048 114 V CB -0.768 31.021 31.823 -0.058 0.000 0.666 114 V HN 0.252 nan 8.190 nan 0.000 0.456 115 F N 2.285 122.201 119.950 -0.057 0.000 2.102 115 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 115 F C 2.179 177.995 175.800 0.026 0.000 1.105 115 F CA 1.781 59.758 58.000 -0.040 0.000 1.239 115 F CB -0.993 37.940 39.000 -0.112 0.000 0.991 115 F HN 0.124 nan 8.300 nan 0.000 0.474 116 G N 0.014 108.727 108.800 -0.145 0.000 2.459 116 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 116 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 116 G C 1.855 176.628 174.900 -0.211 0.000 1.183 116 G CA 1.227 46.193 45.100 -0.224 0.000 0.776 116 G HN 0.681 nan 8.290 nan 0.000 0.552 117 A N 1.093 123.852 122.820 -0.101 0.000 1.883 117 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 117 A C 2.125 179.649 177.584 -0.101 0.000 1.186 117 A CA 2.280 54.273 52.037 -0.073 0.000 0.624 117 A CB -0.577 18.406 19.000 -0.028 0.000 0.822 117 A HN 0.309 nan 8.150 nan 0.000 0.444 118 D N -0.020 120.310 120.400 -0.117 0.000 2.117 118 D HA -0.069 4.571 4.640 -0.000 0.000 0.197 118 D C 2.241 178.447 176.300 -0.158 0.000 0.987 118 D CA 1.628 55.567 54.000 -0.100 0.000 0.829 118 D CB -0.504 40.262 40.800 -0.056 0.000 0.961 118 D HN 0.438 nan 8.370 nan 0.000 0.460 119 A N 0.623 123.254 122.820 -0.316 0.000 1.898 119 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 119 A C 2.150 179.626 177.584 -0.180 0.000 1.181 119 A CA 1.702 53.552 52.037 -0.312 0.000 0.620 119 A CB -0.520 18.120 19.000 -0.600 0.000 0.819 119 A HN 0.153 nan 8.150 nan 0.000 0.442 120 M N 0.013 119.513 119.600 -0.168 0.000 2.108 120 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 120 M C 1.785 178.045 176.300 -0.067 0.000 1.066 120 M CA 1.634 56.876 55.300 -0.097 0.000 1.107 120 M CB -0.475 32.077 32.600 -0.079 0.000 1.356 120 M HN 0.337 nan 8.290 nan 0.000 0.406 121 R N 0.292 120.754 120.500 -0.064 0.000 2.339 121 R HA 0.183 4.523 4.340 -0.000 0.000 0.199 121 R C 1.039 177.318 176.300 -0.035 0.000 1.018 121 R CA 0.417 56.493 56.100 -0.040 0.000 1.036 121 R CB -0.760 29.521 30.300 -0.031 0.000 0.899 121 R HN 0.492 nan 8.270 nan 0.000 0.473 122 G N 0.695 109.468 108.800 -0.045 0.000 2.557 122 G HA2 0.153 4.113 3.960 -0.000 0.000 0.292 122 G HA3 0.153 4.113 3.960 -0.000 0.000 0.292 122 G C -1.528 173.358 174.900 -0.024 0.000 1.237 122 G CA -1.136 43.945 45.100 -0.032 0.000 0.978 122 G HN -0.055 nan 8.290 nan 0.000 0.498 123 P HA -0.034 nan 4.420 nan 0.000 0.226 123 P C 1.249 178.542 177.300 -0.011 0.000 1.153 123 P CA 0.523 63.617 63.100 -0.011 0.000 0.777 123 P CB 0.369 32.066 31.700 -0.005 0.000 0.794 124 R N -0.439 120.053 120.500 -0.014 0.000 2.240 124 R HA 0.125 4.465 4.340 -0.000 0.000 0.203 124 R C 1.791 178.079 176.300 -0.020 0.000 1.011 124 R CA 0.842 56.935 56.100 -0.012 0.000 1.007 124 R CB -0.987 29.310 30.300 -0.006 0.000 0.911 124 R HN 0.226 nan 8.270 nan 0.000 0.468 125 G N 1.819 110.601 108.800 -0.030 0.000 2.652 125 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.318 125 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.318 125 G C 1.018 175.895 174.900 -0.039 0.000 1.295 125 G CA 0.571 45.650 45.100 -0.035 0.000 0.999 125 G HN 0.270 nan 8.290 nan 0.000 0.548 126 L N 0.462 121.667 121.223 -0.030 0.000 2.081 126 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 126 L C 3.038 179.895 176.870 -0.021 0.000 1.080 126 L CA 2.340 57.164 54.840 -0.027 0.000 0.754 126 L CB -0.547 41.499 42.059 -0.021 0.000 0.893 126 L HN 0.550 nan 8.230 nan 0.000 0.433 127 K N 0.020 120.411 120.400 -0.015 0.000 2.147 127 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 127 K C 2.211 178.817 176.600 0.009 0.000 1.049 127 K CA 1.370 57.654 56.287 -0.005 0.000 0.936 127 K CB -0.228 32.271 32.500 -0.001 0.000 0.722 127 K HN 0.328 nan 8.250 nan 0.000 0.446 128 A N 1.000 123.818 122.820 -0.004 0.000 1.970 128 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 128 A C 2.342 179.926 177.584 0.000 0.000 1.170 128 A CA 0.815 52.855 52.037 0.004 0.000 0.645 128 A CB -0.353 18.625 19.000 -0.038 0.000 0.816 128 A HN 0.039 nan 8.150 nan 0.000 0.447 129 V N -0.433 119.452 119.914 -0.048 0.000 2.295 129 V HA 0.159 4.279 4.120 -0.000 0.000 0.246 129 V C 1.595 177.768 176.094 0.131 0.000 1.049 129 V CA 1.264 63.537 62.300 -0.045 0.000 1.024 129 V CB -1.849 29.944 31.823 -0.050 0.000 0.648 129 V HN 1.254 nan 8.190 nan 0.000 0.447 130 G N 0.390 109.230 108.800 0.067 0.000 2.758 130 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 130 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 130 G C -1.779 173.082 174.900 -0.064 0.000 1.389 130 G CA -0.103 45.017 45.100 0.032 0.000 0.845 130 G HN 0.309 nan 8.290 nan 0.000 0.572 131 P HA 0.238 nan 4.420 nan 0.000 0.258 131 P C 0.107 177.192 177.300 -0.359 0.000 1.416 131 P CA 0.519 63.415 63.100 -0.339 0.000 0.927 131 P CB -0.001 31.445 31.700 -0.423 0.000 1.444 132 Y N -1.586 118.745 120.300 0.051 0.000 2.481 132 Y HA 0.107 4.657 4.550 -0.000 0.000 0.247 132 Y C 2.252 178.171 175.900 0.033 0.000 1.151 132 Y CA -0.204 57.910 58.100 0.024 0.000 1.238 132 Y CB -0.431 37.948 38.460 -0.135 0.000 1.179 132 Y HN -0.270 nan 8.280 nan 0.000 0.524 133 V N -1.111 118.925 119.914 0.203 0.000 2.358 133 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 133 V C 2.159 178.337 176.094 0.141 0.000 1.047 133 V CA 1.611 64.036 62.300 0.208 0.000 1.035 133 V CB -0.769 31.213 31.823 0.264 0.000 0.658 133 V HN 0.216 nan 8.190 nan 0.000 0.452 134 V N 1.234 121.219 119.914 0.119 0.000 2.252 134 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 134 V C 2.797 178.941 176.094 0.083 0.000 1.056 134 V CA 2.769 65.123 62.300 0.091 0.000 1.022 134 V CB -1.280 30.587 31.823 0.073 0.000 0.641 134 V HN 0.832 nan 8.190 nan 0.000 0.445 135 T N -2.444 112.173 114.554 0.105 0.000 3.035 135 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 135 T C 1.638 176.355 174.700 0.027 0.000 1.109 135 T CA 1.159 63.307 62.100 0.080 0.000 1.119 135 T CB -0.195 68.757 68.868 0.140 0.000 0.900 135 T HN 0.505 nan 8.240 nan 0.000 0.503 136 K N 0.723 121.113 120.400 -0.017 0.000 2.202 136 K HA 0.413 4.733 4.320 -0.000 0.000 0.201 136 K C 2.610 179.213 176.600 0.006 0.000 1.051 136 K CA 0.767 56.973 56.287 -0.135 0.000 0.977 136 K CB -0.028 32.178 32.500 -0.490 0.000 0.792 136 K HN 0.376 nan 8.250 nan 0.000 0.469 137 A N 1.950 124.818 122.820 0.080 0.000 1.984 137 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 137 A C 1.251 178.886 177.584 0.085 0.000 1.173 137 A CA -0.061 52.047 52.037 0.118 0.000 0.673 137 A CB -0.406 18.682 19.000 0.147 0.000 0.830 137 A HN 0.309 nan 8.150 nan 0.000 0.453 138 M N -1.492 118.149 119.600 0.068 0.000 2.252 138 M HA 0.405 4.885 4.480 -0.000 0.000 0.321 138 M C 0.968 177.304 176.300 0.060 0.000 1.070 138 M CA 0.493 55.828 55.300 0.059 0.000 1.143 138 M CB 0.339 32.968 32.600 0.050 0.000 1.498 138 M HN 0.074 nan 8.290 nan 0.000 0.445 139 A N 1.886 124.742 122.820 0.059 0.000 2.070 139 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 139 A C 2.002 179.626 177.584 0.068 0.000 1.159 139 A CA 1.776 53.852 52.037 0.064 0.000 0.656 139 A CB -0.897 18.139 19.000 0.060 0.000 0.800 139 A HN 1.004 nan 8.150 nan 0.000 0.453 140 S N -1.005 114.733 115.700 0.064 0.000 2.614 140 S HA 0.314 4.784 4.470 -0.000 0.000 0.230 140 S C 1.623 176.260 174.600 0.062 0.000 0.952 140 S CA 0.528 58.770 58.200 0.071 0.000 0.949 140 S CB -0.285 62.959 63.200 0.073 0.000 0.786 140 S HN 0.562 nan 8.310 nan 0.000 0.478 141 G N 2.395 111.228 108.800 0.055 0.000 2.529 141 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 141 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 141 G C 1.315 176.243 174.900 0.047 0.000 1.177 141 G CA 1.315 46.440 45.100 0.042 0.000 0.773 141 G HN 0.475 nan 8.290 nan 0.000 0.573 142 V N 1.758 121.708 119.914 0.060 0.000 2.392 142 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 142 V C 3.268 179.408 176.094 0.078 0.000 1.059 142 V CA 2.561 64.904 62.300 0.072 0.000 1.051 142 V CB -0.497 31.372 31.823 0.077 0.000 0.658 142 V HN 0.652 nan 8.190 nan 0.000 0.455 143 S N 0.548 116.290 115.700 0.071 0.000 2.377 143 S HA -0.012 4.458 4.470 -0.000 0.000 0.223 143 S C 2.151 176.789 174.600 0.064 0.000 1.030 143 S CA 0.978 59.216 58.200 0.065 0.000 0.970 143 S CB -0.466 62.772 63.200 0.063 0.000 0.830 143 S HN 0.540 nan 8.310 nan 0.000 0.473 144 A N 1.116 123.967 122.820 0.052 0.000 1.883 144 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 144 A C 2.401 179.994 177.584 0.016 0.000 1.186 144 A CA 1.657 53.710 52.037 0.026 0.000 0.624 144 A CB -1.561 17.445 19.000 0.009 0.000 0.822 144 A HN 0.693 nan 8.150 nan 0.000 0.444 145 C N -1.297 118.022 119.300 0.030 0.000 2.437 145 C HA 0.113 4.573 4.460 -0.000 0.000 0.283 145 C C 2.326 177.387 174.990 0.119 0.000 1.424 145 C CA 0.796 59.834 59.018 0.032 0.000 1.782 145 C CB -1.319 26.437 27.740 0.028 0.000 1.833 145 C HN 0.536 nan 8.230 nan 0.000 0.532 146 L N 0.337 121.667 121.223 0.179 0.000 2.362 146 L HA 0.255 4.595 4.340 -0.000 0.000 0.204 146 L C 2.638 179.689 176.870 0.302 0.000 1.060 146 L CA 1.530 56.572 54.840 0.336 0.000 0.827 146 L CB -1.118 41.116 42.059 0.291 0.000 1.027 146 L HN 0.149 nan 8.230 nan 0.000 0.474 147 A N -0.814 122.106 122.820 0.167 0.000 1.940 147 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 147 A C 2.303 179.964 177.584 0.128 0.000 1.176 147 A CA 2.464 54.585 52.037 0.140 0.000 0.631 147 A CB -0.977 18.075 19.000 0.086 0.000 0.814 147 A HN 0.412 nan 8.150 nan 0.000 0.446 148 T N 0.312 114.908 114.554 0.070 0.000 2.668 148 T HA -0.054 4.296 4.350 -0.000 0.000 0.262 148 T C 0.011 174.720 174.700 0.015 0.000 1.045 148 T CA 1.745 63.858 62.100 0.021 0.000 1.152 148 T CB -1.210 67.621 68.868 -0.062 0.000 0.864 148 T HN 0.393 nan 8.240 nan 0.000 0.419 149 P HA -0.016 nan 4.420 nan 0.000 0.215 149 P C 0.815 178.021 177.300 -0.157 0.000 1.153 149 P CA 1.021 64.058 63.100 -0.104 0.000 0.853 149 P CB -0.197 31.433 31.700 -0.118 0.000 0.788 150 F N -0.551 119.448 119.950 0.082 0.000 2.769 150 F HA 0.092 4.619 4.527 -0.000 0.000 0.304 150 F C 0.708 176.535 175.800 0.046 0.000 1.158 150 F CA 0.078 58.116 58.000 0.065 0.000 1.398 150 F CB -0.423 38.562 39.000 -0.024 0.000 1.094 150 F HN -0.239 nan 8.300 nan 0.000 0.553 151 K N 0.482 120.961 120.400 0.132 0.000 3.148 151 K HA -0.206 4.114 4.320 -0.000 0.000 0.267 151 K C -0.381 176.260 176.600 0.067 0.000 0.996 151 K CA 0.364 56.685 56.287 0.056 0.000 0.737 151 K CB -2.218 30.239 32.500 -0.073 0.000 1.308 151 K HN 0.217 nan 8.250 nan 0.000 0.470 152 I N 1.190 121.866 120.570 0.175 0.000 2.496 152 I HA 0.034 4.204 4.170 -0.000 0.000 0.285 152 I C 1.933 178.227 176.117 0.295 0.000 1.080 152 I CA 0.287 61.703 61.300 0.193 0.000 1.404 152 I CB 0.387 38.488 38.000 0.170 0.000 1.403 152 I HN 0.261 nan 8.210 nan 0.000 0.539 153 H N 3.314 122.425 119.070 0.069 0.000 2.874 153 H HA 0.166 4.722 4.556 -0.000 0.000 0.264 153 H C 1.391 176.740 175.328 0.035 0.000 1.007 153 H CA 0.021 56.095 56.048 0.043 0.000 1.207 153 H CB 1.372 31.155 29.762 0.035 0.000 1.487 153 H HN 0.767 nan 8.280 nan 0.000 0.505 154 G N 1.159 110.052 108.800 0.156 0.000 2.735 154 G HA2 0.187 4.147 3.960 -0.000 0.000 0.192 154 G HA3 0.187 4.147 3.960 -0.000 0.000 0.192 154 G C 0.231 175.153 174.900 0.038 0.000 1.547 154 G CA 0.129 45.276 45.100 0.077 0.000 1.080 154 G HN 0.128 nan 8.290 nan 0.000 0.569 155 V N -0.887 119.020 119.914 -0.011 0.000 2.963 155 V HA 0.479 4.599 4.120 -0.000 0.000 0.306 155 V C -0.215 175.792 176.094 -0.145 0.000 1.077 155 V CA -0.199 62.055 62.300 -0.076 0.000 1.124 155 V CB 1.203 32.923 31.823 -0.171 0.000 0.987 155 V HN 0.785 nan 8.190 nan 0.000 0.487 156 N N 3.065 121.662 118.700 -0.173 0.000 2.699 156 N HA 0.471 5.211 4.740 -0.000 0.000 0.271 156 N C -1.190 174.315 175.510 -0.010 0.000 1.216 156 N CA -0.543 52.434 53.050 -0.122 0.000 0.844 156 N CB 0.989 39.481 38.487 0.008 0.000 1.462 156 N HN 1.013 nan 8.380 nan 0.000 0.555 157 Y N -1.189 119.134 120.300 0.037 0.000 2.818 157 Y HA 0.702 5.252 4.550 -0.000 0.000 0.341 157 Y C -1.181 174.740 175.900 0.035 0.000 1.283 157 Y CA -1.199 56.920 58.100 0.032 0.000 1.075 157 Y CB 0.539 39.013 38.460 0.024 0.000 1.370 157 Y HN 0.097 nan 8.280 nan 0.000 0.448 158 S N 1.276 117.170 115.700 0.323 0.000 2.482 158 S HA 0.698 5.168 4.470 -0.000 0.000 0.303 158 S C -0.937 173.795 174.600 0.219 0.000 1.091 158 S CA -0.700 57.627 58.200 0.211 0.000 1.057 158 S CB 1.039 64.319 63.200 0.133 0.000 1.031 158 S HN 0.505 nan 8.310 nan 0.000 0.485 159 I N 2.028 122.710 120.570 0.187 0.000 2.441 159 I HA 0.459 4.629 4.170 -0.000 0.000 0.295 159 I C -0.007 176.182 176.117 0.121 0.000 0.994 159 I CA -0.335 61.053 61.300 0.145 0.000 1.144 159 I CB 1.946 40.045 38.000 0.164 0.000 1.314 159 I HN 0.465 nan 8.210 nan 0.000 0.445 160 S N 3.226 118.984 115.700 0.097 0.000 2.521 160 S HA 0.634 5.104 4.470 -0.000 0.000 0.295 160 S C -0.288 174.378 174.600 0.110 0.000 1.098 160 S CA -0.397 57.866 58.200 0.104 0.000 0.999 160 S CB 1.108 64.362 63.200 0.089 0.000 1.034 160 S HN 0.696 nan 8.310 nan 0.000 0.483 161 S N 2.668 118.456 115.700 0.147 0.000 2.589 161 S HA 0.585 5.055 4.470 -0.000 0.000 0.210 161 S C 0.528 175.225 174.600 0.162 0.000 0.803 161 S CA 0.080 58.383 58.200 0.173 0.000 1.061 161 S CB -0.381 62.993 63.200 0.289 0.000 1.637 161 S HN 1.933 nan 8.310 nan 0.000 0.462 162 A N 0.831 123.739 122.820 0.147 0.000 5.391 162 A HA -0.351 3.969 4.320 -0.000 0.000 0.315 162 A C 1.719 179.336 177.584 0.055 0.000 1.874 162 A CA 1.395 53.513 52.037 0.134 0.000 0.714 162 A CB -2.282 16.820 19.000 0.169 0.000 1.335 162 A HN 1.587 nan 8.150 nan 0.000 0.382 163 C N 0.228 119.522 119.300 -0.010 0.000 2.449 163 C HA 0.363 4.823 4.460 -0.000 0.000 0.283 163 C C 2.621 177.616 174.990 0.008 0.000 1.453 163 C CA 1.186 60.215 59.018 0.017 0.000 1.779 163 C CB -1.871 25.926 27.740 0.095 0.000 1.779 163 C HN 1.440 nan 8.230 nan 0.000 0.546 164 A N -0.053 122.766 122.820 -0.001 0.000 2.390 164 A HA 0.170 4.490 4.320 -0.000 0.000 0.232 164 A C 1.847 179.435 177.584 0.006 0.000 1.233 164 A CA 0.676 52.673 52.037 -0.067 0.000 0.907 164 A CB -0.566 18.371 19.000 -0.106 0.000 0.967 164 A HN 0.417 nan 8.150 nan 0.000 0.512 165 T N 1.570 116.178 114.554 0.089 0.000 2.531 165 T HA -0.269 4.081 4.350 -0.000 0.000 0.261 165 T C 2.260 177.010 174.700 0.084 0.000 1.141 165 T CA 2.756 64.930 62.100 0.122 0.000 1.176 165 T CB -0.552 68.372 68.868 0.093 0.000 0.863 165 T HN 0.814 nan 8.240 nan 0.000 0.424 166 S N 1.552 117.268 115.700 0.025 0.000 2.474 166 S HA 0.144 4.614 4.470 -0.000 0.000 0.235 166 S C 2.222 176.797 174.600 -0.042 0.000 0.997 166 S CA 0.810 59.007 58.200 -0.005 0.000 0.949 166 S CB -0.447 62.735 63.200 -0.030 0.000 0.766 166 S HN 0.568 nan 8.310 nan 0.000 0.517 167 A N 1.796 124.572 122.820 -0.072 0.000 1.874 167 A HA 0.034 4.354 4.320 -0.000 0.000 0.214 167 A C 1.922 179.452 177.584 -0.090 0.000 1.189 167 A CA 1.258 53.219 52.037 -0.126 0.000 0.615 167 A CB -1.006 17.871 19.000 -0.206 0.000 0.830 167 A HN 0.666 nan 8.150 nan 0.000 0.443 168 H N -1.500 117.597 119.070 0.045 0.000 2.423 168 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 168 H C 2.202 177.519 175.328 -0.018 0.000 1.075 168 H CA 1.270 57.367 56.048 0.081 0.000 1.342 168 H CB -0.194 29.644 29.762 0.125 0.000 1.395 168 H HN 0.529 nan 8.280 nan 0.000 0.530 169 C N 0.360 119.722 119.300 0.103 0.000 2.413 169 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 169 C C 2.693 177.645 174.990 -0.064 0.000 1.236 169 C CA 0.944 59.983 59.018 0.036 0.000 1.735 169 C CB -0.860 26.895 27.740 0.026 0.000 2.031 169 C HN 0.525 nan 8.230 nan 0.000 0.474 170 I N 1.023 121.526 120.570 -0.112 0.000 2.179 170 I HA -0.124 4.046 4.170 -0.000 0.000 0.242 170 I C 2.747 178.676 176.117 -0.314 0.000 1.088 170 I CA 1.840 63.033 61.300 -0.179 0.000 1.357 170 I CB -1.043 36.857 38.000 -0.166 0.000 1.051 170 I HN 0.456 nan 8.210 nan 0.000 0.409 171 G N 0.789 109.269 108.800 -0.533 0.000 2.440 171 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 171 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 171 G C 1.485 175.935 174.900 -0.750 0.000 1.154 171 G CA 0.901 45.212 45.100 -1.315 0.000 0.767 171 G HN 0.375 nan 8.290 nan 0.000 0.552 172 N N 1.252 119.768 118.700 -0.306 0.000 2.244 172 N HA -0.054 4.686 4.740 -0.000 0.000 0.183 172 N C 2.472 177.938 175.510 -0.074 0.000 1.016 172 N CA 1.143 54.157 53.050 -0.059 0.000 0.866 172 N CB -0.146 38.393 38.487 0.086 0.000 0.980 172 N HN 0.254 nan 8.380 nan 0.000 0.430 173 A N 0.617 123.359 122.820 -0.130 0.000 1.930 173 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 173 A C 2.490 179.999 177.584 -0.124 0.000 1.175 173 A CA 1.064 53.026 52.037 -0.125 0.000 0.627 173 A CB -0.672 18.241 19.000 -0.145 0.000 0.815 173 A HN 0.160 nan 8.150 nan 0.000 0.443 174 V N 0.282 120.100 119.914 -0.159 0.000 2.295 174 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 174 V C 2.395 178.453 176.094 -0.058 0.000 1.049 174 V CA 2.333 64.562 62.300 -0.118 0.000 1.024 174 V CB -0.911 30.826 31.823 -0.142 0.000 0.648 174 V HN 0.654 nan 8.190 nan 0.000 0.447 175 E N -0.459 119.718 120.200 -0.038 0.000 2.130 175 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 175 E C 2.345 178.951 176.600 0.010 0.000 0.998 175 E CA 1.235 57.649 56.400 0.024 0.000 0.806 175 E CB -0.191 29.552 29.700 0.072 0.000 0.738 175 E HN 0.550 nan 8.360 nan 0.000 0.459 176 Q N 0.222 120.017 119.800 -0.009 0.000 2.124 176 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 176 Q C 2.241 178.224 176.000 -0.028 0.000 0.977 176 Q CA 1.067 56.863 55.803 -0.013 0.000 0.850 176 Q CB -0.116 28.602 28.738 -0.033 0.000 0.901 176 Q HN 0.446 nan 8.270 nan 0.000 0.429 177 I N 0.456 120.999 120.570 -0.044 0.000 2.277 177 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 177 I C 2.307 178.411 176.117 -0.023 0.000 1.094 177 I CA 0.850 62.122 61.300 -0.047 0.000 1.393 177 I CB -0.241 37.720 38.000 -0.065 0.000 1.078 177 I HN 0.212 nan 8.210 nan 0.000 0.417 178 Q N 0.617 120.411 119.800 -0.010 0.000 2.181 178 Q HA -0.176 4.164 4.340 -0.000 0.000 0.205 178 Q C 2.166 178.171 176.000 0.007 0.000 0.980 178 Q CA 1.310 57.115 55.803 0.004 0.000 0.862 178 Q CB -0.129 28.620 28.738 0.019 0.000 0.905 178 Q HN 0.528 nan 8.270 nan 0.000 0.429 179 L N -0.735 120.492 121.223 0.008 0.000 2.552 179 L HA 0.056 4.396 4.340 -0.000 0.000 0.227 179 L C 1.269 178.142 176.870 0.006 0.000 1.146 179 L CA 0.467 55.313 54.840 0.011 0.000 0.858 179 L CB -0.162 41.908 42.059 0.018 0.000 0.969 179 L HN 0.460 nan 8.230 nan 0.000 0.451 180 G N -0.002 108.797 108.800 -0.002 0.000 2.162 180 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 180 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 180 G C 1.060 175.957 174.900 -0.006 0.000 0.976 180 G CA 0.692 45.790 45.100 -0.004 0.000 0.655 180 G HN 0.375 nan 8.290 nan 0.000 0.533 181 K N -0.742 119.655 120.400 -0.005 0.000 2.228 181 K HA 0.069 4.389 4.320 -0.000 0.000 0.202 181 K C 1.010 177.600 176.600 -0.015 0.000 1.051 181 K CA 0.946 57.232 56.287 -0.002 0.000 0.960 181 K CB 0.013 32.519 32.500 0.010 0.000 0.743 181 K HN 0.448 nan 8.250 nan 0.000 0.458 182 Q N -0.338 119.439 119.800 -0.038 0.000 2.389 182 Q HA 0.135 4.475 4.340 -0.000 0.000 0.277 182 Q C -0.557 175.375 176.000 -0.113 0.000 1.082 182 Q CA -0.361 55.401 55.803 -0.068 0.000 0.810 182 Q CB 2.030 30.723 28.738 -0.075 0.000 1.374 182 Q HN -0.036 nan 8.270 nan 0.000 0.422 183 D N 0.357 120.652 120.400 -0.176 0.000 2.277 183 D HA 0.258 4.898 4.640 -0.000 0.000 0.209 183 D C 0.289 176.370 176.300 -0.364 0.000 0.970 183 D CA 0.865 54.681 54.000 -0.308 0.000 0.874 183 D CB 1.229 41.718 40.800 -0.518 0.000 0.982 183 D HN 0.371 nan 8.370 nan 0.000 0.504 184 I N 0.588 120.970 120.570 -0.313 0.000 2.656 184 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 184 I C -1.219 174.706 176.117 -0.321 0.000 1.144 184 I CA -0.778 60.309 61.300 -0.354 0.000 1.038 184 I CB 3.362 41.118 38.000 -0.408 0.000 1.244 184 I HN -0.416 nan 8.210 nan 0.000 0.420 185 V N 5.738 125.425 119.914 -0.379 0.000 2.569 185 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 185 V C -0.785 175.088 176.094 -0.367 0.000 1.044 185 V CA -0.581 61.551 62.300 -0.279 0.000 0.874 185 V CB 1.810 33.526 31.823 -0.179 0.000 1.002 185 V HN 0.376 nan 8.190 nan 0.000 0.424 186 F N 3.447 123.296 119.950 -0.168 0.000 2.445 186 F HA 0.678 5.205 4.527 -0.000 0.000 0.359 186 F C 0.752 176.455 175.800 -0.162 0.000 1.101 186 F CA -0.038 57.847 58.000 -0.191 0.000 1.177 186 F CB 1.123 39.971 39.000 -0.254 0.000 1.110 186 F HN 0.564 nan 8.300 nan 0.000 0.522 187 A N 2.588 125.392 122.820 -0.027 0.000 2.355 187 A HA 0.936 5.255 4.320 -0.000 0.000 0.317 187 A C 0.016 177.573 177.584 -0.046 0.000 1.094 187 A CA 0.101 52.108 52.037 -0.050 0.000 0.764 187 A CB 1.302 20.245 19.000 -0.095 0.000 1.230 187 A HN 1.001 nan 8.150 nan 0.000 0.448 188 G N -0.188 108.593 108.800 -0.032 0.000 2.441 188 G HA2 0.738 4.698 3.960 -0.000 0.000 0.225 188 G HA3 0.738 4.698 3.960 -0.000 0.000 0.225 188 G C -0.252 174.644 174.900 -0.008 0.000 1.200 188 G CA 0.392 45.471 45.100 -0.035 0.000 0.947 188 G HN 2.155 nan 8.290 nan 0.000 0.484 189 G N -2.183 106.618 108.800 0.002 0.000 2.441 189 G HA2 0.816 4.776 3.960 -0.000 0.000 0.294 189 G HA3 0.816 4.776 3.960 -0.000 0.000 0.294 189 G C -0.648 174.283 174.900 0.051 0.000 1.393 189 G CA 0.513 45.631 45.100 0.031 0.000 0.796 189 G HN 1.984 nan 8.290 nan 0.000 0.494 190 G N -1.206 107.641 108.800 0.079 0.000 2.704 190 G HA2 0.666 4.626 3.960 -0.000 0.000 0.293 190 G HA3 0.666 4.626 3.960 -0.000 0.000 0.293 190 G C -1.947 173.032 174.900 0.133 0.000 1.421 190 G CA -0.359 44.819 45.100 0.129 0.000 0.870 190 G HN 0.687 nan 8.290 nan 0.000 0.492 191 E N -0.128 120.182 120.200 0.185 0.000 2.311 191 E HA 0.347 4.697 4.350 -0.000 0.000 0.281 191 E C -0.075 176.666 176.600 0.235 0.000 0.905 191 E CA -0.673 55.819 56.400 0.154 0.000 0.778 191 E CB 1.447 31.194 29.700 0.079 0.000 1.240 191 E HN 0.714 nan 8.360 nan 0.000 0.410 192 E N 2.936 123.252 120.200 0.192 0.000 2.376 192 E HA 0.407 4.757 4.350 -0.000 0.000 0.254 192 E C -0.722 175.965 176.600 0.145 0.000 1.213 192 E CA -0.814 55.708 56.400 0.203 0.000 0.945 192 E CB 1.038 30.806 29.700 0.113 0.000 1.057 192 E HN 0.245 nan 8.360 nan 0.000 0.479 193 L N 1.533 122.818 121.223 0.102 0.000 2.404 193 L HA 0.443 4.783 4.340 -0.000 0.000 0.272 193 L C -1.445 175.478 176.870 0.088 0.000 0.980 193 L CA -0.349 54.509 54.840 0.030 0.000 0.836 193 L CB 0.979 42.912 42.059 -0.209 0.000 1.238 193 L HN 0.935 nan 8.230 nan 0.000 0.408 194 C N 1.974 121.383 119.300 0.182 0.000 3.239 194 C HA 0.472 4.932 4.460 -0.000 0.000 0.329 194 C C 1.099 176.195 174.990 0.177 0.000 1.252 194 C CA -0.926 58.195 59.018 0.171 0.000 1.323 194 C CB 0.741 28.445 27.740 -0.060 0.000 1.663 194 C HN 1.041 nan 8.230 nan 0.000 0.487 195 W N 0.936 122.355 121.300 0.198 0.000 2.388 195 W HA 0.013 4.673 4.660 -0.000 0.000 0.294 195 W C 1.075 177.665 176.519 0.118 0.000 1.212 195 W CA 1.827 59.251 57.345 0.131 0.000 1.271 195 W CB -1.186 28.308 29.460 0.056 0.000 1.126 195 W HN 0.879 nan 8.180 nan 0.000 0.535 196 E N 0.876 120.408 120.200 -1.113 0.000 2.114 196 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 196 E C 2.303 178.737 176.600 -0.276 0.000 1.008 196 E CA 2.936 58.736 56.400 -1.000 0.000 0.810 196 E CB -0.669 28.464 29.700 -0.945 0.000 0.739 196 E HN 0.409 nan 8.360 nan 0.000 0.456 197 M N -0.748 118.795 119.600 -0.095 0.000 2.447 197 M HA 0.147 4.627 4.480 -0.000 0.000 0.266 197 M C 2.045 178.507 176.300 0.270 0.000 1.120 197 M CA 1.137 56.493 55.300 0.094 0.000 1.166 197 M CB 0.193 32.892 32.600 0.165 0.000 1.349 197 M HN 0.133 nan 8.290 nan 0.000 0.463 198 A N 0.344 123.342 122.820 0.297 0.000 1.972 198 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 198 A C 2.269 180.049 177.584 0.327 0.000 1.169 198 A CA 1.663 53.931 52.037 0.385 0.000 0.635 198 A CB -1.652 17.543 19.000 0.325 0.000 0.810 198 A HN 0.874 nan 8.150 nan 0.000 0.446 199 C N -0.809 118.649 119.300 0.263 0.000 2.437 199 C HA 0.032 4.492 4.460 -0.000 0.000 0.283 199 C C 2.051 177.118 174.990 0.128 0.000 1.424 199 C CA 0.774 59.922 59.018 0.217 0.000 1.782 199 C CB -1.410 26.503 27.740 0.288 0.000 1.833 199 C HN 0.648 nan 8.230 nan 0.000 0.532 200 E N 0.573 120.816 120.200 0.072 0.000 2.072 200 E HA -0.058 4.291 4.350 -0.000 0.000 0.190 200 E C 1.718 178.232 176.600 -0.144 0.000 0.982 200 E CA 1.307 57.649 56.400 -0.097 0.000 0.803 200 E CB -0.305 29.244 29.700 -0.251 0.000 0.755 200 E HN 0.749 nan 8.360 nan 0.000 0.453 201 F N 1.294 121.293 119.950 0.082 0.000 2.259 201 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 201 F C 2.204 178.009 175.800 0.008 0.000 1.088 201 F CA 0.935 58.983 58.000 0.079 0.000 1.358 201 F CB -0.130 38.957 39.000 0.146 0.000 1.040 201 F HN -0.024 nan 8.300 nan 0.000 0.505 202 D N 0.397 120.904 120.400 0.178 0.000 2.097 202 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 202 D C 2.267 178.600 176.300 0.056 0.000 0.984 202 D CA 1.327 55.380 54.000 0.088 0.000 0.826 202 D CB -0.296 40.559 40.800 0.092 0.000 0.973 202 D HN 0.145 nan 8.370 nan 0.000 0.460 203 A N 0.229 123.078 122.820 0.048 0.000 2.178 203 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 203 A C 2.180 179.766 177.584 0.004 0.000 1.157 203 A CA 1.201 53.250 52.037 0.021 0.000 0.689 203 A CB -0.681 18.327 19.000 0.013 0.000 0.787 203 A HN 0.409 nan 8.150 nan 0.000 0.465 204 M N -1.495 118.108 119.600 0.006 0.000 2.441 204 M HA 0.271 4.751 4.480 -0.000 0.000 0.244 204 M C 1.122 177.442 176.300 0.033 0.000 1.122 204 M CA 0.982 56.280 55.300 -0.004 0.000 1.041 204 M CB 0.299 32.876 32.600 -0.038 0.000 1.438 204 M HN 0.589 nan 8.290 nan 0.000 0.484 205 G N 0.696 109.520 108.800 0.040 0.000 2.160 205 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 205 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 205 G C 0.531 175.463 174.900 0.054 0.000 1.008 205 G CA 0.407 45.530 45.100 0.039 0.000 0.724 205 G HN 0.679 nan 8.290 nan 0.000 0.514 206 A N -0.931 121.927 122.820 0.064 0.000 2.267 206 A HA 0.690 5.010 4.320 -0.000 0.000 0.213 206 A C 1.082 178.508 177.584 -0.263 0.000 1.192 206 A CA 0.431 52.507 52.037 0.065 0.000 0.851 206 A CB 0.247 19.451 19.000 0.340 0.000 0.881 206 A HN 0.602 nan 8.150 nan 0.000 0.494 207 L N 0.286 121.354 121.223 -0.258 0.000 2.322 207 L HA 0.370 4.710 4.340 -0.000 0.000 0.279 207 L C 0.710 177.505 176.870 -0.126 0.000 1.036 207 L CA -0.608 54.026 54.840 -0.343 0.000 0.807 207 L CB 1.703 43.621 42.059 -0.236 0.000 1.226 207 L HN 0.172 nan 8.230 nan 0.000 0.433 208 S N 0.513 116.167 115.700 -0.076 0.000 2.560 208 S HA 0.126 4.596 4.470 -0.000 0.000 0.284 208 S C 0.759 175.377 174.600 0.029 0.000 1.327 208 S CA 0.332 58.558 58.200 0.043 0.000 1.055 208 S CB 0.437 63.702 63.200 0.109 0.000 0.868 208 S HN 0.846 nan 8.310 nan 0.000 0.506 209 T N 0.983 115.554 114.554 0.028 0.000 3.186 209 T HA 0.342 4.692 4.350 -0.000 0.000 0.292 209 T C 0.569 175.210 174.700 -0.097 0.000 0.915 209 T CA -0.490 61.576 62.100 -0.055 0.000 0.902 209 T CB -0.120 68.699 68.868 -0.082 0.000 1.192 209 T HN 0.599 nan 8.240 nan 0.000 0.563 210 K N 0.543 120.878 120.400 -0.108 0.000 2.410 210 K HA 0.289 4.609 4.320 -0.000 0.000 0.200 210 K C -0.613 175.618 176.600 -0.614 0.000 1.023 210 K CA 0.008 56.077 56.287 -0.363 0.000 1.149 210 K CB 0.212 32.419 32.500 -0.489 0.000 0.859 210 K HN 0.475 nan 8.250 nan 0.000 0.514 211 Y N -0.763 119.528 120.300 -0.015 0.000 2.742 211 Y HA 0.187 4.737 4.550 -0.000 0.000 0.248 211 Y C 0.768 176.688 175.900 0.032 0.000 1.132 211 Y CA -0.644 57.461 58.100 0.009 0.000 1.142 211 Y CB 0.225 38.699 38.460 0.023 0.000 1.222 211 Y HN 0.008 nan 8.280 nan 0.000 0.575 212 N N 1.020 119.787 118.700 0.111 0.000 2.519 212 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 212 N C 1.179 176.792 175.510 0.171 0.000 1.062 212 N CA 1.549 54.700 53.050 0.168 0.000 0.910 212 N CB -0.019 38.532 38.487 0.107 0.000 0.958 212 N HN 0.644 nan 8.380 nan 0.000 0.445 213 D N -0.175 120.281 120.400 0.094 0.000 2.194 213 D HA -0.069 4.571 4.640 -0.000 0.000 0.204 213 D C 0.409 176.751 176.300 0.070 0.000 0.964 213 D CA 0.821 54.849 54.000 0.047 0.000 0.846 213 D CB -0.255 40.554 40.800 0.015 0.000 0.962 213 D HN 0.159 nan 8.370 nan 0.000 0.490 214 T N -1.774 112.855 114.554 0.126 0.000 3.401 214 T HA 0.373 4.723 4.350 -0.000 0.000 0.341 214 T C -2.361 172.424 174.700 0.142 0.000 1.674 214 T CA -1.687 60.487 62.100 0.123 0.000 1.600 214 T CB 1.798 70.744 68.868 0.129 0.000 0.974 214 T HN -0.303 nan 8.240 nan 0.000 0.672 215 P HA -0.221 nan 4.420 nan 0.000 0.218 215 P C 1.395 178.756 177.300 0.103 0.000 1.165 215 P CA 1.508 64.702 63.100 0.156 0.000 0.922 215 P CB 0.116 31.928 31.700 0.188 0.000 0.794 216 E N -0.786 119.462 120.200 0.080 0.000 2.396 216 E HA -0.174 4.176 4.350 -0.000 0.000 0.200 216 E C 1.328 177.929 176.600 0.002 0.000 1.023 216 E CA 0.762 57.188 56.400 0.043 0.000 0.857 216 E CB -0.227 29.496 29.700 0.038 0.000 0.775 216 E HN 0.430 nan 8.360 nan 0.000 0.525 217 K N -0.602 119.791 120.400 -0.012 0.000 2.355 217 K HA 0.219 4.539 4.320 -0.000 0.000 0.198 217 K C 1.815 178.226 176.600 -0.315 0.000 1.039 217 K CA 0.366 56.587 56.287 -0.111 0.000 1.075 217 K CB 0.745 33.211 32.500 -0.056 0.000 0.870 217 K HN -0.024 nan 8.250 nan 0.000 0.540 218 A N 1.803 124.515 122.820 -0.179 0.000 1.865 218 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 218 A C 1.547 178.997 177.584 -0.224 0.000 1.191 218 A CA 1.370 53.281 52.037 -0.209 0.000 0.623 218 A CB -0.327 18.707 19.000 0.056 0.000 0.826 218 A HN 0.196 nan 8.150 nan 0.000 0.444 219 S N 0.610 116.248 115.700 -0.103 0.000 2.414 219 S HA 0.367 4.837 4.470 -0.000 0.000 0.290 219 S C 0.328 174.857 174.600 -0.119 0.000 1.160 219 S CA -0.503 57.652 58.200 -0.074 0.000 1.069 219 S CB -0.299 62.889 63.200 -0.022 0.000 1.012 219 S HN 0.479 nan 8.310 nan 0.000 0.510 220 R N 2.766 123.184 120.500 -0.137 0.000 2.674 220 R HA 0.255 4.595 4.340 -0.000 0.000 0.270 220 R C -0.559 175.682 176.300 -0.098 0.000 1.492 220 R CA -0.654 55.375 56.100 -0.119 0.000 1.624 220 R CB -0.546 29.658 30.300 -0.160 0.000 1.307 220 R HN 0.363 nan 8.270 nan 0.000 0.683 221 T N 2.086 116.550 114.554 -0.150 0.000 2.905 221 T HA -0.087 4.263 4.350 -0.000 0.000 0.299 221 T C -0.078 174.492 174.700 -0.217 0.000 1.024 221 T CA 0.899 62.810 62.100 -0.316 0.000 1.151 221 T CB -0.066 68.492 68.868 -0.516 0.000 0.987 221 T HN 0.574 nan 8.240 nan 0.000 0.535 222 Y N -1.144 119.148 120.300 -0.014 0.000 4.929 222 Y HA -0.206 4.344 4.550 -0.000 0.000 0.253 222 Y C 0.649 176.535 175.900 -0.024 0.000 0.946 222 Y CA 0.538 58.629 58.100 -0.015 0.000 1.905 222 Y CB -2.194 36.256 38.460 -0.018 0.000 1.400 222 Y HN 0.761 nan 8.280 nan 0.000 0.531 223 D N 0.523 120.967 120.400 0.074 0.000 2.277 223 D HA 0.600 5.240 4.640 -0.000 0.000 0.249 223 D C 1.202 177.490 176.300 -0.019 0.000 1.134 223 D CA 0.688 54.703 54.000 0.024 0.000 0.863 223 D CB 1.263 42.074 40.800 0.018 0.000 1.143 223 D HN 0.260 nan 8.370 nan 0.000 0.458 224 A N 4.083 126.831 122.820 -0.121 0.000 2.148 224 A HA -0.214 4.106 4.320 -0.000 0.000 0.222 224 A C 1.219 178.687 177.584 -0.193 0.000 1.161 224 A CA 1.301 53.219 52.037 -0.198 0.000 0.662 224 A CB -0.442 18.362 19.000 -0.326 0.000 0.799 224 A HN 0.732 nan 8.150 nan 0.000 0.466 225 H N -0.335 118.790 119.070 0.092 0.000 2.520 225 H HA 0.107 4.663 4.556 -0.000 0.000 0.284 225 H C 0.531 175.962 175.328 0.173 0.000 1.037 225 H CA 0.117 56.248 56.048 0.138 0.000 1.168 225 H CB -0.211 29.661 29.762 0.183 0.000 1.497 225 H HN 0.724 nan 8.280 nan 0.000 0.547 226 R N 1.911 122.515 120.500 0.173 0.000 2.679 226 R HA 0.054 4.394 4.340 -0.000 0.000 0.268 226 R C -0.363 176.039 176.300 0.170 0.000 1.044 226 R CA 0.386 56.561 56.100 0.125 0.000 1.105 226 R CB 0.376 30.703 30.300 0.045 0.000 0.989 226 R HN 0.064 nan 8.270 nan 0.000 0.447 227 D N 0.573 121.081 120.400 0.180 0.000 2.865 227 D HA 0.227 4.867 4.640 -0.000 0.000 0.347 227 D C -0.018 176.349 176.300 0.111 0.000 1.498 227 D CA 0.004 54.097 54.000 0.157 0.000 0.787 227 D CB 0.400 41.312 40.800 0.186 0.000 1.190 227 D HN 0.924 nan 8.370 nan 0.000 0.445 228 G N 0.502 109.363 108.800 0.102 0.000 2.484 228 G HA2 0.214 4.174 3.960 -0.000 0.000 0.685 228 G HA3 0.214 4.174 3.960 -0.000 0.000 0.685 228 G C -0.559 174.392 174.900 0.085 0.000 1.294 228 G CA -0.716 44.429 45.100 0.075 0.000 0.879 228 G HN 0.330 nan 8.290 nan 0.000 0.646 229 F N -0.332 119.661 119.950 0.072 0.000 2.378 229 F HA 0.799 5.326 4.527 -0.000 0.000 0.319 229 F C 0.314 176.151 175.800 0.060 0.000 1.155 229 F CA -1.439 56.585 58.000 0.041 0.000 1.157 229 F CB 1.157 40.188 39.000 0.051 0.000 1.252 229 F HN 0.398 nan 8.300 nan 0.000 0.550 230 V N 4.337 124.446 119.914 0.324 0.000 2.370 230 V HA 0.249 4.369 4.120 -0.000 0.000 0.279 230 V C 0.280 176.603 176.094 0.381 0.000 1.029 230 V CA -0.858 61.577 62.300 0.226 0.000 0.870 230 V CB 1.072 32.993 31.823 0.165 0.000 0.984 230 V HN 0.855 nan 8.190 nan 0.000 0.451 231 I N 4.678 125.434 120.570 0.311 0.000 2.634 231 I HA 0.536 4.706 4.170 -0.000 0.000 0.284 231 I C 0.476 176.722 176.117 0.215 0.000 1.124 231 I CA 0.425 61.906 61.300 0.302 0.000 1.417 231 I CB 0.901 39.027 38.000 0.209 0.000 1.396 231 I HN 0.796 nan 8.210 nan 0.000 0.571 232 A N 4.917 127.805 122.820 0.113 0.000 2.569 232 A HA 0.897 5.217 4.320 -0.000 0.000 0.290 232 A C -0.598 176.964 177.584 -0.038 0.000 1.136 232 A CA -0.180 51.871 52.037 0.024 0.000 0.710 232 A CB 1.394 20.407 19.000 0.023 0.000 1.303 232 A HN 0.823 nan 8.150 nan 0.000 0.413 233 G N -1.857 106.868 108.800 -0.125 0.000 2.730 233 G HA2 0.907 4.867 3.960 -0.000 0.000 0.289 233 G HA3 0.907 4.867 3.960 -0.000 0.000 0.289 233 G C -0.083 174.642 174.900 -0.291 0.000 1.341 233 G CA -0.226 44.797 45.100 -0.129 0.000 0.932 233 G HN 2.279 nan 8.290 nan 0.000 0.481 234 G N -2.031 106.540 108.800 -0.383 0.000 2.340 234 G HA2 0.611 4.571 3.960 -0.000 0.000 0.282 234 G HA3 0.611 4.571 3.960 -0.000 0.000 0.282 234 G C -0.331 174.468 174.900 -0.168 0.000 1.312 234 G CA 0.179 44.917 45.100 -0.603 0.000 0.942 234 G HN 1.965 nan 8.290 nan 0.000 0.495 235 G N -1.879 106.856 108.800 -0.108 0.000 2.682 235 G HA2 1.041 5.001 3.960 -0.000 0.000 0.290 235 G HA3 1.041 5.001 3.960 -0.000 0.000 0.290 235 G C -0.333 174.549 174.900 -0.030 0.000 1.425 235 G CA 0.317 45.429 45.100 0.020 0.000 0.807 235 G HN 2.117 nan 8.290 nan 0.000 0.482 236 G N -1.353 107.429 108.800 -0.030 0.000 2.703 236 G HA2 0.671 4.631 3.960 -0.000 0.000 0.294 236 G HA3 0.671 4.631 3.960 -0.000 0.000 0.294 236 G C -1.727 173.135 174.900 -0.062 0.000 1.451 236 G CA -0.588 44.469 45.100 -0.071 0.000 0.869 236 G HN 0.958 nan 8.290 nan 0.000 0.516 237 M N 0.944 120.498 119.600 -0.077 0.000 2.365 237 M HA 0.648 5.128 4.480 -0.000 0.000 0.287 237 M C -1.091 175.163 176.300 -0.077 0.000 1.154 237 M CA -0.698 54.562 55.300 -0.065 0.000 0.941 237 M CB 2.267 34.829 32.600 -0.063 0.000 1.704 237 M HN 1.237 nan 8.290 nan 0.000 0.479 238 V N 1.759 121.627 119.914 -0.077 0.000 2.914 238 V HA 0.907 5.027 4.120 -0.000 0.000 0.314 238 V C -1.189 174.836 176.094 -0.114 0.000 1.084 238 V CA -0.904 61.335 62.300 -0.102 0.000 0.963 238 V CB 1.879 33.621 31.823 -0.135 0.000 1.025 238 V HN 0.613 nan 8.190 nan 0.000 0.432 239 V N 3.920 123.747 119.914 -0.145 0.000 2.334 239 V HA 0.337 4.457 4.120 -0.000 0.000 0.267 239 V C 0.194 176.135 176.094 -0.254 0.000 1.040 239 V CA -0.364 61.754 62.300 -0.303 0.000 0.866 239 V CB 0.996 32.646 31.823 -0.288 0.000 1.019 239 V HN 0.732 nan 8.190 nan 0.000 0.468 240 V N 5.131 124.873 119.914 -0.286 0.000 2.406 240 V HA 0.409 4.529 4.120 -0.000 0.000 0.272 240 V C 0.143 176.098 176.094 -0.233 0.000 1.043 240 V CA -0.212 61.962 62.300 -0.210 0.000 0.915 240 V CB 1.214 32.925 31.823 -0.187 0.000 0.988 240 V HN 0.960 nan 8.190 nan 0.000 0.466 241 E N 2.927 123.026 120.200 -0.168 0.000 2.293 241 E HA 0.327 4.677 4.350 -0.000 0.000 0.270 241 E C -0.639 175.904 176.600 -0.095 0.000 0.879 241 E CA -0.747 55.560 56.400 -0.156 0.000 0.756 241 E CB 1.700 31.330 29.700 -0.117 0.000 1.208 241 E HN 0.695 nan 8.360 nan 0.000 0.428 242 E N 3.694 123.837 120.200 -0.095 0.000 2.414 242 E HA -0.050 4.300 4.350 -0.000 0.000 0.263 242 E C 0.789 177.395 176.600 0.010 0.000 1.000 242 E CA -0.079 56.297 56.400 -0.040 0.000 0.914 242 E CB 1.047 30.724 29.700 -0.037 0.000 0.948 242 E HN 0.612 nan 8.360 nan 0.000 0.444 243 L N 5.500 126.725 121.223 0.003 0.000 1.956 243 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 243 L C 1.933 178.816 176.870 0.022 0.000 1.073 243 L CA 2.004 56.847 54.840 0.006 0.000 0.762 243 L CB -0.525 41.533 42.059 -0.002 0.000 0.889 243 L HN 0.566 nan 8.230 nan 0.000 0.433 244 E N -1.041 119.176 120.200 0.029 0.000 2.160 244 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 244 E C 2.223 178.846 176.600 0.038 0.000 0.991 244 E CA 1.356 57.771 56.400 0.025 0.000 0.810 244 E CB -0.687 29.027 29.700 0.023 0.000 0.742 244 E HN 0.680 nan 8.360 nan 0.000 0.466 245 H N 0.373 119.427 119.070 -0.026 0.000 2.357 245 H HA 0.018 4.574 4.556 -0.000 0.000 0.301 245 H C 1.817 177.128 175.328 -0.029 0.000 1.082 245 H CA 1.589 57.622 56.048 -0.026 0.000 1.342 245 H CB 0.247 29.990 29.762 -0.031 0.000 1.389 245 H HN 0.128 nan 8.280 nan 0.000 0.511 246 A N 1.211 124.096 122.820 0.108 0.000 1.873 246 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 246 A C 2.849 180.422 177.584 -0.017 0.000 1.186 246 A CA 1.095 53.158 52.037 0.044 0.000 0.616 246 A CB -0.864 18.147 19.000 0.019 0.000 0.823 246 A HN 0.401 nan 8.150 nan 0.000 0.442 247 L N -0.652 120.559 121.223 -0.020 0.000 2.083 247 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 247 L C 3.065 179.907 176.870 -0.047 0.000 1.083 247 L CA 1.009 55.831 54.840 -0.030 0.000 0.752 247 L CB -0.586 41.459 42.059 -0.023 0.000 0.899 247 L HN 0.448 nan 8.230 nan 0.000 0.433 248 A N 1.088 123.865 122.820 -0.071 0.000 1.933 248 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 248 A C 2.273 179.796 177.584 -0.102 0.000 1.175 248 A CA 1.789 53.769 52.037 -0.095 0.000 0.628 248 A CB -0.500 18.417 19.000 -0.139 0.000 0.814 248 A HN 0.585 nan 8.150 nan 0.000 0.444 249 R N -1.286 119.144 120.500 -0.116 0.000 2.334 249 R HA 0.341 4.680 4.340 -0.000 0.000 0.216 249 R C 0.953 177.228 176.300 -0.043 0.000 0.905 249 R CA 0.670 56.719 56.100 -0.086 0.000 1.064 249 R CB -0.572 29.670 30.300 -0.097 0.000 1.046 249 R HN 0.776 nan 8.270 nan 0.000 0.508 250 G N 0.860 109.638 108.800 -0.037 0.000 2.225 250 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 250 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 250 G C 0.287 175.182 174.900 -0.008 0.000 1.060 250 G CA 0.125 45.212 45.100 -0.021 0.000 0.833 250 G HN 0.709 nan 8.290 nan 0.000 0.498 251 A N -0.359 122.456 122.820 -0.010 0.000 2.406 251 A HA 0.551 4.871 4.320 -0.000 0.000 0.243 251 A C 0.435 178.022 177.584 0.006 0.000 1.082 251 A CA 0.473 52.512 52.037 0.004 0.000 0.786 251 A CB 0.273 19.271 19.000 -0.002 0.000 1.029 251 A HN 1.477 nan 8.150 nan 0.000 0.495 252 H N 0.974 119.986 119.070 -0.097 0.000 2.652 252 H HA 0.519 5.075 4.556 -0.000 0.000 0.298 252 H C -0.700 174.505 175.328 -0.205 0.000 1.076 252 H CA -0.525 55.419 56.048 -0.173 0.000 1.360 252 H CB 0.048 29.669 29.762 -0.236 0.000 1.421 252 H HN 0.417 nan 8.280 nan 0.000 0.464 253 I N 7.068 127.285 120.570 -0.588 0.000 2.312 253 I HA 0.015 4.185 4.170 -0.000 0.000 0.290 253 I C 0.128 175.882 176.117 -0.606 0.000 1.008 253 I CA -0.440 60.588 61.300 -0.453 0.000 1.226 253 I CB 0.824 38.700 38.000 -0.205 0.000 1.371 253 I HN 0.737 nan 8.210 nan 0.000 0.468 254 Y N 5.191 125.255 120.300 -0.394 0.000 2.184 254 Y HA 0.193 4.743 4.550 -0.000 0.000 0.290 254 Y C 1.255 177.070 175.900 -0.143 0.000 1.129 254 Y CA 0.988 58.938 58.100 -0.250 0.000 1.144 254 Y CB 0.154 38.534 38.460 -0.133 0.000 0.995 254 Y HN 0.684 nan 8.280 nan 0.000 0.513 255 A N -0.809 122.039 122.820 0.046 0.000 2.544 255 A HA 0.408 4.728 4.320 -0.000 0.000 0.291 255 A C -1.493 176.088 177.584 -0.004 0.000 1.055 255 A CA -0.830 51.215 52.037 0.013 0.000 0.651 255 A CB 0.561 19.580 19.000 0.032 0.000 1.296 255 A HN 0.068 nan 8.150 nan 0.000 0.431 256 E N 0.349 120.546 120.200 -0.006 0.000 2.204 256 E HA 0.617 4.967 4.350 -0.000 0.000 0.276 256 E C -1.182 175.416 176.600 -0.003 0.000 0.974 256 E CA -0.613 55.782 56.400 -0.009 0.000 0.815 256 E CB 0.949 30.645 29.700 -0.007 0.000 1.119 256 E HN 0.476 nan 8.360 nan 0.000 0.393 257 I N 6.069 126.633 120.570 -0.009 0.000 2.278 257 I HA 0.027 4.197 4.170 -0.000 0.000 0.296 257 I C 1.078 177.208 176.117 0.021 0.000 1.121 257 I CA -0.297 61.003 61.300 -0.001 0.000 1.267 257 I CB 0.704 38.688 38.000 -0.026 0.000 1.447 257 I HN 0.522 nan 8.210 nan 0.000 0.509 258 V N 2.456 122.389 119.914 0.032 0.000 3.406 258 V HA 0.369 4.489 4.120 -0.000 0.000 0.263 258 V C 0.880 177.014 176.094 0.066 0.000 1.172 258 V CA 0.319 62.645 62.300 0.043 0.000 1.140 258 V CB -0.453 31.392 31.823 0.036 0.000 0.784 258 V HN 0.657 nan 8.190 nan 0.000 0.467 259 G N -0.638 108.210 108.800 0.080 0.000 2.682 259 G HA2 0.558 4.518 3.960 -0.000 0.000 0.300 259 G HA3 0.558 4.518 3.960 -0.000 0.000 0.300 259 G C -2.218 172.788 174.900 0.176 0.000 1.391 259 G CA -0.598 44.567 45.100 0.108 0.000 0.990 259 G HN 0.267 nan 8.290 nan 0.000 0.501 260 Y N 1.423 121.733 120.300 0.017 0.000 2.307 260 Y HA 0.651 5.201 4.550 -0.000 0.000 0.323 260 Y C -0.136 175.779 175.900 0.025 0.000 1.100 260 Y CA -1.281 56.828 58.100 0.015 0.000 1.140 260 Y CB 1.573 40.043 38.460 0.015 0.000 1.159 260 Y HN 0.812 nan 8.280 nan 0.000 0.436 261 G N 3.103 111.768 108.800 -0.226 0.000 2.416 261 G HA2 0.753 4.713 3.960 -0.000 0.000 0.329 261 G HA3 0.753 4.713 3.960 -0.000 0.000 0.329 261 G C -1.604 173.074 174.900 -0.370 0.000 1.173 261 G CA -0.590 44.325 45.100 -0.309 0.000 0.929 261 G HN 1.155 nan 8.290 nan 0.000 0.475 262 A N 1.499 124.129 122.820 -0.318 0.000 2.476 262 A HA 0.838 5.158 4.320 -0.000 0.000 0.280 262 A C -0.022 177.542 177.584 -0.035 0.000 1.081 262 A CA -0.040 51.948 52.037 -0.081 0.000 0.753 262 A CB 1.216 20.166 19.000 -0.084 0.000 1.248 262 A HN 1.547 nan 8.150 nan 0.000 0.424 263 T N -1.459 113.117 114.554 0.037 0.000 2.716 263 T HA 0.876 5.226 4.350 -0.000 0.000 0.286 263 T C -0.270 174.448 174.700 0.030 0.000 1.052 263 T CA -0.443 61.660 62.100 0.005 0.000 1.024 263 T CB 1.724 70.581 68.868 -0.020 0.000 1.349 263 T HN 1.467 nan 8.240 nan 0.000 0.525 264 S N -1.046 114.656 115.700 0.003 0.000 2.540 264 S HA 0.459 4.929 4.470 -0.000 0.000 0.275 264 S C -0.331 174.263 174.600 -0.009 0.000 1.123 264 S CA -0.608 57.597 58.200 0.009 0.000 0.907 264 S CB 1.645 64.849 63.200 0.006 0.000 1.081 264 S HN 0.690 nan 8.310 nan 0.000 0.476 265 D N 2.730 123.126 120.400 -0.007 0.000 2.137 265 D HA 0.152 4.792 4.640 -0.000 0.000 0.202 265 D C 1.480 177.777 176.300 -0.006 0.000 0.970 265 D CA 1.483 55.471 54.000 -0.019 0.000 0.837 265 D CB -0.536 40.254 40.800 -0.017 0.000 0.981 265 D HN 1.069 nan 8.370 nan 0.000 0.475 266 G N 0.235 109.039 108.800 0.006 0.000 2.323 266 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.292 266 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.292 266 G C 0.637 175.542 174.900 0.008 0.000 1.040 266 G CA 0.912 46.016 45.100 0.007 0.000 0.942 266 G HN 0.624 nan 8.290 nan 0.000 0.506 267 A N -1.141 121.688 122.820 0.014 0.000 1.780 267 A HA 0.623 4.943 4.320 -0.000 0.000 0.178 267 A C 0.575 178.175 177.584 0.027 0.000 2.054 267 A CA 0.939 52.985 52.037 0.016 0.000 1.289 267 A CB 0.369 19.375 19.000 0.009 0.000 0.942 267 A HN 0.416 nan 8.150 nan 0.000 0.659 268 D N -0.641 119.781 120.400 0.038 0.000 2.181 268 D HA 0.418 5.058 4.640 -0.000 0.000 0.248 268 D C 0.432 176.776 176.300 0.074 0.000 1.020 268 D CA -0.425 53.607 54.000 0.053 0.000 0.891 268 D CB 1.863 42.700 40.800 0.062 0.000 1.187 268 D HN 0.141 nan 8.370 nan 0.000 0.443 269 M N 2.880 122.520 119.600 0.067 0.000 2.419 269 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 269 M C 0.797 177.171 176.300 0.124 0.000 1.082 269 M CA 1.287 56.633 55.300 0.076 0.000 1.119 269 M CB 0.254 32.874 32.600 0.032 0.000 1.398 269 M HN 0.337 nan 8.290 nan 0.000 0.453 270 V N -1.531 118.467 119.914 0.139 0.000 3.137 270 V HA 0.450 4.570 4.120 -0.000 0.000 0.236 270 V C 0.788 177.102 176.094 0.366 0.000 1.260 270 V CA 0.361 62.805 62.300 0.239 0.000 1.244 270 V CB -0.191 31.668 31.823 0.061 0.000 1.016 270 V HN 0.297 nan 8.190 nan 0.000 0.477 271 A N 2.438 125.390 122.820 0.219 0.000 2.293 271 A HA 0.729 5.049 4.320 -0.000 0.000 0.302 271 A C -2.460 175.204 177.584 0.132 0.000 1.119 271 A CA -1.409 50.741 52.037 0.189 0.000 0.823 271 A CB 0.160 19.241 19.000 0.135 0.000 1.097 271 A HN 0.244 nan 8.150 nan 0.000 0.491 272 P HA 0.147 nan 4.420 nan 0.000 0.274 272 P C 0.422 177.719 177.300 -0.005 0.000 1.237 272 P CA 0.011 63.122 63.100 0.018 0.000 0.793 272 P CB 1.443 33.134 31.700 -0.016 0.000 0.977 273 S N -0.281 115.389 115.700 -0.049 0.000 2.502 273 S HA 0.249 4.719 4.470 -0.000 0.000 0.215 273 S C 1.601 176.164 174.600 -0.062 0.000 1.009 273 S CA 0.752 58.929 58.200 -0.039 0.000 0.908 273 S CB -0.770 62.409 63.200 -0.036 0.000 0.801 273 S HN 0.732 nan 8.310 nan 0.000 0.505 274 G N 2.324 111.053 108.800 -0.118 0.000 2.708 274 G HA2 -0.431 3.528 3.960 -0.000 0.000 0.229 274 G HA3 -0.431 3.528 3.960 -0.000 0.000 0.229 274 G C 0.974 175.804 174.900 -0.117 0.000 1.236 274 G CA 0.646 45.673 45.100 -0.122 0.000 0.749 274 G HN 0.485 nan 8.290 nan 0.000 0.515 275 E N 1.912 122.063 120.200 -0.081 0.000 2.085 275 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 275 E C 2.629 179.178 176.600 -0.086 0.000 0.994 275 E CA 2.373 58.733 56.400 -0.066 0.000 0.801 275 E CB -1.001 28.672 29.700 -0.045 0.000 0.743 275 E HN 0.667 nan 8.360 nan 0.000 0.453 276 G N 0.706 109.439 108.800 -0.110 0.000 2.402 276 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 276 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 276 G C 1.764 176.563 174.900 -0.167 0.000 1.162 276 G CA 1.363 46.392 45.100 -0.118 0.000 0.777 276 G HN 0.431 nan 8.290 nan 0.000 0.539 277 A N 0.232 122.870 122.820 -0.302 0.000 1.902 277 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 277 A C 2.610 180.116 177.584 -0.130 0.000 1.181 277 A CA 1.872 53.671 52.037 -0.398 0.000 0.623 277 A CB -0.661 17.907 19.000 -0.721 0.000 0.818 277 A HN 0.260 nan 8.150 nan 0.000 0.443 278 V N -0.030 119.824 119.914 -0.101 0.000 2.287 278 V HA -0.302 3.817 4.120 -0.000 0.000 0.248 278 V C 2.645 178.712 176.094 -0.044 0.000 1.053 278 V CA 2.387 64.658 62.300 -0.049 0.000 1.027 278 V CB -0.824 30.971 31.823 -0.047 0.000 0.646 278 V HN 0.537 nan 8.190 nan 0.000 0.447 279 R N -1.122 119.347 120.500 -0.051 0.000 2.096 279 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 279 R C 2.405 178.683 176.300 -0.036 0.000 1.127 279 R CA 1.612 57.685 56.100 -0.044 0.000 0.968 279 R CB -0.829 29.443 30.300 -0.047 0.000 0.861 279 R HN 0.584 nan 8.270 nan 0.000 0.440 280 C N 0.791 120.077 119.300 -0.024 0.000 2.436 280 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 280 C C 2.613 177.617 174.990 0.024 0.000 1.241 280 C CA 0.899 59.920 59.018 0.005 0.000 1.721 280 C CB -0.689 27.092 27.740 0.069 0.000 2.043 280 C HN 0.462 nan 8.230 nan 0.000 0.472 281 M N 0.191 119.825 119.600 0.056 0.000 2.108 281 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 281 M C 2.311 178.609 176.300 -0.004 0.000 1.066 281 M CA 1.864 57.202 55.300 0.063 0.000 1.107 281 M CB -0.555 32.109 32.600 0.106 0.000 1.356 281 M HN 0.395 nan 8.290 nan 0.000 0.406 282 K N -0.024 120.354 120.400 -0.038 0.000 2.097 282 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 282 K C 1.993 178.590 176.600 -0.005 0.000 1.049 282 K CA 1.322 57.576 56.287 -0.054 0.000 0.933 282 K CB -0.230 32.235 32.500 -0.057 0.000 0.717 282 K HN 0.379 nan 8.250 nan 0.000 0.442 283 M N 0.459 120.050 119.600 -0.015 0.000 2.117 283 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 283 M C 2.072 178.372 176.300 0.001 0.000 1.065 283 M CA 1.689 56.972 55.300 -0.029 0.000 1.114 283 M CB -0.080 32.471 32.600 -0.083 0.000 1.361 283 M HN 0.150 nan 8.290 nan 0.000 0.408 284 A N -0.005 122.819 122.820 0.006 0.000 2.014 284 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 284 A C 1.889 179.507 177.584 0.056 0.000 1.163 284 A CA 1.352 53.412 52.037 0.037 0.000 0.652 284 A CB -0.538 18.492 19.000 0.050 0.000 0.808 284 A HN 0.639 nan 8.150 nan 0.000 0.449 285 M N -1.049 118.574 119.600 0.039 0.000 2.514 285 M HA 0.047 4.527 4.480 -0.000 0.000 0.258 285 M C 0.731 177.053 176.300 0.036 0.000 1.119 285 M CA 0.073 55.387 55.300 0.022 0.000 1.111 285 M CB -0.006 32.567 32.600 -0.046 0.000 1.390 285 M HN 0.440 nan 8.290 nan 0.000 0.475 286 H N 1.122 120.171 119.070 -0.035 0.000 3.184 286 H HA 0.055 4.611 4.556 -0.000 0.000 0.274 286 H C 0.986 176.305 175.328 -0.015 0.000 0.962 286 H CA 1.883 57.912 56.048 -0.031 0.000 1.441 286 H CB 0.196 29.939 29.762 -0.032 0.000 1.518 286 H HN 0.563 nan 8.280 nan 0.000 0.539 287 G N 3.976 112.645 108.800 -0.218 0.000 2.254 287 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.225 287 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.225 287 G C 0.130 175.007 174.900 -0.037 0.000 1.003 287 G CA 0.078 45.121 45.100 -0.094 0.000 0.622 287 G HN 0.634 nan 8.290 nan 0.000 0.507 288 V N 3.075 122.979 119.914 -0.017 0.000 2.415 288 V HA 0.338 4.458 4.120 -0.000 0.000 0.267 288 V C 1.394 177.478 176.094 -0.016 0.000 1.042 288 V CA 0.814 63.113 62.300 -0.001 0.000 1.000 288 V CB 1.141 32.976 31.823 0.020 0.000 1.015 288 V HN 0.567 nan 8.190 nan 0.000 0.478 289 D N 2.488 122.881 120.400 -0.012 0.000 2.363 289 D HA -0.048 4.592 4.640 -0.000 0.000 0.220 289 D C 0.902 177.202 176.300 -0.000 0.000 0.994 289 D CA 0.391 54.382 54.000 -0.014 0.000 0.890 289 D CB -0.141 40.651 40.800 -0.013 0.000 0.906 289 D HN 0.606 nan 8.370 nan 0.000 0.530 290 T N -2.118 112.444 114.554 0.012 0.000 2.929 290 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 290 T C -2.496 172.229 174.700 0.041 0.000 1.014 290 T CA -1.863 60.251 62.100 0.024 0.000 1.051 290 T CB 2.039 70.923 68.868 0.026 0.000 1.028 290 T HN -0.129 nan 8.240 nan 0.000 0.485 291 P HA 0.342 nan 4.420 nan 0.000 0.276 291 P C -0.491 176.869 177.300 0.101 0.000 1.244 291 P CA -0.725 62.428 63.100 0.089 0.000 0.801 291 P CB 0.617 32.365 31.700 0.079 0.000 1.006 292 I N 2.665 123.329 120.570 0.158 0.000 2.396 292 I HA 0.040 4.210 4.170 -0.000 0.000 0.289 292 I C 1.267 177.410 176.117 0.044 0.000 1.056 292 I CA 0.307 61.677 61.300 0.116 0.000 1.365 292 I CB 0.165 38.272 38.000 0.179 0.000 1.407 292 I HN 0.325 nan 8.210 nan 0.000 0.509 293 D N 4.890 125.319 120.400 0.049 0.000 2.216 293 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 293 D C 0.057 176.408 176.300 0.086 0.000 0.960 293 D CA 1.292 55.322 54.000 0.050 0.000 0.861 293 D CB 0.438 41.273 40.800 0.059 0.000 0.985 293 D HN 0.509 nan 8.370 nan 0.000 0.493 294 Y N 0.332 120.594 120.300 -0.063 0.000 2.492 294 Y HA 0.499 5.049 4.550 -0.000 0.000 0.346 294 Y C -1.903 173.951 175.900 -0.076 0.000 0.997 294 Y CA -1.229 56.821 58.100 -0.083 0.000 1.025 294 Y CB 1.600 40.007 38.460 -0.089 0.000 1.263 294 Y HN -0.231 nan 8.280 nan 0.000 0.454 295 L N 6.991 127.609 121.223 -1.009 0.000 2.415 295 L HA 0.450 4.790 4.340 -0.000 0.000 0.268 295 L C -1.088 175.202 176.870 -0.966 0.000 0.984 295 L CA -0.456 53.925 54.840 -0.764 0.000 0.853 295 L CB 0.786 42.595 42.059 -0.416 0.000 1.215 295 L HN 0.781 nan 8.230 nan 0.000 0.419 296 N N 3.622 121.866 118.700 -0.760 0.000 2.508 296 N HA 0.053 4.793 4.740 -0.000 0.000 0.253 296 N C -0.055 175.337 175.510 -0.197 0.000 1.145 296 N CA -0.041 52.796 53.050 -0.355 0.000 0.973 296 N CB 0.724 39.184 38.487 -0.045 0.000 1.305 296 N HN 0.746 nan 8.380 nan 0.000 0.506 297 S N 2.519 118.136 115.700 -0.140 0.000 2.587 297 S HA -0.057 4.413 4.470 -0.000 0.000 0.260 297 S C 1.301 175.844 174.600 -0.095 0.000 1.353 297 S CA -0.090 58.075 58.200 -0.058 0.000 0.995 297 S CB 0.950 64.200 63.200 0.085 0.000 0.912 297 S HN 0.731 nan 8.310 nan 0.000 0.568 298 H N 1.469 120.409 119.070 -0.217 0.000 2.372 298 H HA 0.200 4.756 4.556 -0.000 0.000 0.301 298 H C 1.560 176.738 175.328 -0.250 0.000 1.065 298 H CA 1.041 56.899 56.048 -0.316 0.000 1.364 298 H CB -1.087 28.433 29.762 -0.402 0.000 1.406 298 H HN 1.008 nan 8.280 nan 0.000 0.521 299 G N 1.168 109.822 108.800 -0.242 0.000 2.629 299 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.334 299 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.334 299 G C 0.996 175.589 174.900 -0.513 0.000 0.208 299 G CA 1.022 45.886 45.100 -0.392 0.000 1.166 299 G HN 0.756 nan 8.290 nan 0.000 0.475 300 T N -1.076 113.152 114.554 -0.544 0.000 3.129 300 T HA 0.354 4.704 4.350 -0.000 0.000 0.251 300 T C 1.267 175.868 174.700 -0.165 0.000 1.117 300 T CA 0.926 62.746 62.100 -0.468 0.000 1.034 300 T CB 0.224 68.767 68.868 -0.541 0.000 0.968 300 T HN 1.817 nan 8.240 nan 0.000 0.526 301 S N 0.719 116.305 115.700 -0.190 0.000 3.931 301 S HA -0.125 4.345 4.470 -0.000 0.000 0.318 301 S C 0.150 174.758 174.600 0.012 0.000 1.098 301 S CA 0.509 58.644 58.200 -0.109 0.000 0.900 301 S CB -2.120 61.041 63.200 -0.066 0.000 0.886 301 S HN 1.274 nan 8.310 nan 0.000 0.513 302 T N -0.991 113.581 114.554 0.030 0.000 2.888 302 T HA 0.712 5.062 4.350 -0.000 0.000 0.284 302 T C -1.503 173.248 174.700 0.084 0.000 1.017 302 T CA -1.648 60.516 62.100 0.106 0.000 1.022 302 T CB 1.764 70.742 68.868 0.183 0.000 1.013 302 T HN -0.052 nan 8.240 nan 0.000 0.465 303 P HA -0.162 nan 4.420 nan 0.000 0.213 303 P C 1.635 178.989 177.300 0.090 0.000 1.176 303 P CA 0.883 64.036 63.100 0.089 0.000 0.919 303 P CB -0.042 31.712 31.700 0.091 0.000 0.791 304 V N -0.727 119.248 119.914 0.103 0.000 2.379 304 V HA -0.052 4.068 4.120 -0.000 0.000 0.243 304 V C 2.592 178.753 176.094 0.112 0.000 1.035 304 V CA 2.225 64.585 62.300 0.101 0.000 1.035 304 V CB -1.977 29.908 31.823 0.104 0.000 0.673 304 V HN 0.175 nan 8.190 nan 0.000 0.457 305 G N 0.336 109.217 108.800 0.134 0.000 2.491 305 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.218 305 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.218 305 G C 1.155 176.137 174.900 0.137 0.000 1.180 305 G CA 1.486 46.677 45.100 0.152 0.000 0.774 305 G HN 0.504 nan 8.290 nan 0.000 0.562 306 D N -0.000 120.451 120.400 0.086 0.000 2.106 306 D HA -0.121 4.519 4.640 -0.000 0.000 0.191 306 D C 2.756 179.172 176.300 0.194 0.000 0.997 306 D CA 1.274 55.321 54.000 0.078 0.000 0.834 306 D CB -0.625 40.167 40.800 -0.013 0.000 0.956 306 D HN 0.211 nan 8.370 nan 0.000 0.448 307 V N 0.815 120.820 119.914 0.152 0.000 2.407 307 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 307 V C 2.356 178.516 176.094 0.110 0.000 1.055 307 V CA 1.263 63.643 62.300 0.133 0.000 1.049 307 V CB -0.356 31.525 31.823 0.096 0.000 0.662 307 V HN 0.133 nan 8.190 nan 0.000 0.455 308 K N 0.273 120.734 120.400 0.101 0.000 2.032 308 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 308 K C 2.203 178.845 176.600 0.071 0.000 1.048 308 K CA 2.022 58.351 56.287 0.070 0.000 0.927 308 K CB -0.348 32.187 32.500 0.058 0.000 0.712 308 K HN 0.682 nan 8.250 nan 0.000 0.441 309 E N 0.718 120.996 120.200 0.130 0.000 2.077 309 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 309 E C 2.184 178.876 176.600 0.154 0.000 0.989 309 E CA 0.812 57.317 56.400 0.175 0.000 0.800 309 E CB -0.051 29.851 29.700 0.338 0.000 0.746 309 E HN 0.175 nan 8.360 nan 0.000 0.452 310 L N 0.534 121.850 121.223 0.154 0.000 2.042 310 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 310 L C 2.727 179.636 176.870 0.066 0.000 1.076 310 L CA 1.178 56.074 54.840 0.093 0.000 0.749 310 L CB -0.552 41.549 42.059 0.071 0.000 0.893 310 L HN 0.253 nan 8.230 nan 0.000 0.432 311 A N -0.100 122.758 122.820 0.063 0.000 1.933 311 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 311 A C 2.507 180.118 177.584 0.045 0.000 1.175 311 A CA 1.649 53.713 52.037 0.044 0.000 0.628 311 A CB -0.576 18.445 19.000 0.035 0.000 0.814 311 A HN 0.412 nan 8.150 nan 0.000 0.444 312 A N -0.206 122.643 122.820 0.048 0.000 1.929 312 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 312 A C 2.070 179.713 177.584 0.098 0.000 1.176 312 A CA 1.288 53.349 52.037 0.040 0.000 0.628 312 A CB -0.499 18.499 19.000 -0.003 0.000 0.816 312 A HN 0.483 nan 8.150 nan 0.000 0.444 313 I N -0.776 119.877 120.570 0.138 0.000 2.252 313 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 313 I C 2.727 178.992 176.117 0.246 0.000 1.102 313 I CA 1.183 62.620 61.300 0.228 0.000 1.385 313 I CB -0.314 37.757 38.000 0.118 0.000 1.064 313 I HN 0.294 nan 8.210 nan 0.000 0.414 314 R N 0.600 121.176 120.500 0.127 0.000 2.081 314 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 314 R C 2.190 178.550 176.300 0.100 0.000 1.131 314 R CA 1.200 57.361 56.100 0.102 0.000 0.960 314 R CB -0.318 30.013 30.300 0.052 0.000 0.856 314 R HN 0.356 nan 8.270 nan 0.000 0.436 315 E N 0.390 120.633 120.200 0.072 0.000 2.118 315 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 315 E C 2.124 178.732 176.600 0.014 0.000 0.992 315 E CA 1.252 57.673 56.400 0.034 0.000 0.804 315 E CB -0.031 29.678 29.700 0.015 0.000 0.741 315 E HN 0.193 nan 8.360 nan 0.000 0.458 316 V N -0.007 119.925 119.914 0.029 0.000 2.379 316 V HA -0.146 3.974 4.120 -0.000 0.000 0.243 316 V C 1.895 177.840 176.094 -0.248 0.000 1.035 316 V CA 1.458 63.679 62.300 -0.132 0.000 1.035 316 V CB -0.420 31.281 31.823 -0.203 0.000 0.673 316 V HN 0.092 nan 8.190 nan 0.000 0.457 317 F N -0.081 119.866 119.950 -0.005 0.000 2.437 317 F HA 0.492 5.019 4.527 -0.000 0.000 0.288 317 F C 2.042 177.838 175.800 -0.008 0.000 1.085 317 F CA 0.864 58.860 58.000 -0.007 0.000 1.430 317 F CB -0.746 38.248 39.000 -0.010 0.000 1.120 317 F HN 0.259 nan 8.300 nan 0.000 0.556 318 G N 0.511 109.423 108.800 0.185 0.000 3.879 318 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.318 318 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.318 318 G C 0.792 175.741 174.900 0.082 0.000 1.344 318 G CA 0.607 45.765 45.100 0.096 0.000 1.024 318 G HN 0.303 nan 8.290 nan 0.000 0.681 319 D N 0.844 121.289 120.400 0.074 0.000 2.395 319 D HA 0.171 4.811 4.640 -0.000 0.000 0.213 319 D C 1.188 177.524 176.300 0.060 0.000 1.110 319 D CA 0.041 54.071 54.000 0.050 0.000 0.835 319 D CB 0.492 41.312 40.800 0.033 0.000 0.965 319 D HN 0.247 nan 8.370 nan 0.000 0.505 320 K N 1.406 121.875 120.400 0.115 0.000 2.699 320 K HA 0.068 4.388 4.320 -0.000 0.000 0.210 320 K C -0.127 176.516 176.600 0.072 0.000 1.076 320 K CA -0.170 56.194 56.287 0.127 0.000 1.109 320 K CB 0.288 32.909 32.500 0.202 0.000 0.862 320 K HN -0.151 nan 8.250 nan 0.000 0.470 321 S N 3.251 118.936 115.700 -0.025 0.000 2.555 321 S HA 0.111 4.581 4.470 -0.000 0.000 0.293 321 S C -1.922 172.526 174.600 -0.254 0.000 1.248 321 S CA -0.871 57.202 58.200 -0.212 0.000 1.096 321 S CB 0.245 63.366 63.200 -0.131 0.000 0.881 321 S HN 0.237 nan 8.310 nan 0.000 0.498 322 P HA 0.307 nan 4.420 nan 0.000 0.277 322 P C -0.633 176.547 177.300 -0.201 0.000 1.271 322 P CA -0.649 62.284 63.100 -0.278 0.000 0.795 322 P CB 0.479 31.960 31.700 -0.366 0.000 1.101 323 A N 0.934 123.704 122.820 -0.084 0.000 2.498 323 A HA 0.378 4.697 4.320 -0.000 0.000 0.239 323 A C 0.330 177.889 177.584 -0.043 0.000 1.068 323 A CA 0.192 52.228 52.037 -0.002 0.000 0.766 323 A CB -0.820 18.253 19.000 0.121 0.000 1.003 323 A HN 0.456 nan 8.150 nan 0.000 0.497 324 I N 1.331 121.877 120.570 -0.040 0.000 2.686 324 I HA 0.550 4.720 4.170 -0.000 0.000 0.295 324 I C -0.153 175.994 176.117 0.050 0.000 1.114 324 I CA -0.289 60.953 61.300 -0.097 0.000 1.038 324 I CB 2.640 40.538 38.000 -0.170 0.000 1.238 324 I HN 0.791 nan 8.210 nan 0.000 0.420 325 S N 3.304 119.073 115.700 0.116 0.000 2.542 325 S HA 0.775 5.245 4.470 -0.000 0.000 0.276 325 S C -1.047 173.661 174.600 0.180 0.000 1.148 325 S CA -0.822 57.497 58.200 0.199 0.000 0.886 325 S CB 1.831 65.176 63.200 0.242 0.000 1.109 325 S HN 0.813 nan 8.310 nan 0.000 0.458 326 A N 2.367 125.292 122.820 0.175 0.000 2.444 326 A HA 0.586 4.906 4.320 -0.000 0.000 0.332 326 A C 1.295 178.873 177.584 -0.010 0.000 1.430 326 A CA -0.139 51.919 52.037 0.036 0.000 0.975 326 A CB -0.440 18.493 19.000 -0.112 0.000 1.147 326 A HN 1.426 nan 8.150 nan 0.000 0.524 327 T N -0.014 114.540 114.554 0.000 0.000 2.977 327 T HA -0.136 4.214 4.350 -0.000 0.000 0.271 327 T C 1.345 175.993 174.700 -0.086 0.000 1.105 327 T CA 1.401 63.469 62.100 -0.053 0.000 1.116 327 T CB -0.341 68.487 68.868 -0.067 0.000 0.878 327 T HN 0.623 nan 8.240 nan 0.000 0.509 328 K N 1.071 121.412 120.400 -0.097 0.000 2.442 328 K HA 0.169 4.489 4.320 -0.000 0.000 0.198 328 K C 2.494 179.040 176.600 -0.091 0.000 1.044 328 K CA 0.787 57.004 56.287 -0.115 0.000 0.948 328 K CB -0.311 32.056 32.500 -0.222 0.000 0.762 328 K HN 0.522 nan 8.250 nan 0.000 0.472 329 A N 0.676 123.442 122.820 -0.090 0.000 2.067 329 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 329 A C 1.923 179.475 177.584 -0.054 0.000 1.158 329 A CA 1.173 53.167 52.037 -0.071 0.000 0.661 329 A CB -0.178 18.787 19.000 -0.058 0.000 0.801 329 A HN 0.184 nan 8.150 nan 0.000 0.452 330 M N -1.469 118.092 119.600 -0.065 0.000 2.718 330 M HA -0.014 4.466 4.480 -0.000 0.000 0.259 330 M C 2.407 178.674 176.300 -0.056 0.000 1.240 330 M CA 1.588 56.849 55.300 -0.066 0.000 1.210 330 M CB -0.181 32.356 32.600 -0.104 0.000 1.281 330 M HN 0.538 nan 8.290 nan 0.000 0.515 331 T N -1.714 112.799 114.554 -0.069 0.000 2.894 331 T HA 0.412 4.762 4.350 -0.000 0.000 0.258 331 T C 1.126 175.833 174.700 0.013 0.000 1.043 331 T CA 0.723 62.804 62.100 -0.031 0.000 1.141 331 T CB -0.195 68.668 68.868 -0.007 0.000 0.873 331 T HN 0.570 nan 8.240 nan 0.000 0.449 332 G N 0.774 109.582 108.800 0.013 0.000 2.566 332 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.599 332 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.599 332 G C -1.075 173.863 174.900 0.063 0.000 1.292 332 G CA -0.358 44.780 45.100 0.063 0.000 0.922 332 G HN 0.783 nan 8.290 nan 0.000 0.514 333 H N 0.929 119.986 119.070 -0.022 0.000 2.685 333 H HA 0.598 5.154 4.556 -0.000 0.000 0.286 333 H C 1.689 176.938 175.328 -0.131 0.000 1.102 333 H CA 0.055 55.998 56.048 -0.175 0.000 1.254 333 H CB 0.734 30.202 29.762 -0.491 0.000 1.397 333 H HN 0.817 nan 8.280 nan 0.000 0.473 334 S N 4.461 120.241 115.700 0.133 0.000 2.701 334 S HA 0.094 4.564 4.470 -0.000 0.000 0.220 334 S C 1.358 175.915 174.600 -0.071 0.000 0.954 334 S CA 0.121 58.324 58.200 0.005 0.000 0.936 334 S CB -0.455 62.745 63.200 0.000 0.000 0.777 334 S HN 0.722 nan 8.310 nan 0.000 0.518 335 L N -0.134 120.942 121.223 -0.245 0.000 4.932 335 L HA -0.343 3.997 4.340 -0.000 0.000 0.053 335 L C 2.235 179.056 176.870 -0.082 0.000 3.391 335 L CA 1.489 56.101 54.840 -0.380 0.000 1.344 335 L CB -2.078 39.799 42.059 -0.303 0.000 3.088 335 L HN 0.428 nan 8.230 nan 0.000 0.942 336 G N -1.204 107.579 108.800 -0.029 0.000 2.470 336 G HA2 0.079 4.039 3.960 -0.000 0.000 0.220 336 G HA3 0.079 4.039 3.960 -0.000 0.000 0.220 336 G C 1.294 176.202 174.900 0.013 0.000 1.121 336 G CA 1.277 46.389 45.100 0.020 0.000 0.766 336 G HN 0.836 nan 8.290 nan 0.000 0.553 337 A N 0.457 123.278 122.820 0.001 0.000 2.147 337 A HA 0.621 4.941 4.320 -0.000 0.000 0.211 337 A C 2.616 180.172 177.584 -0.047 0.000 1.160 337 A CA 1.322 53.348 52.037 -0.018 0.000 0.781 337 A CB -0.283 18.707 19.000 -0.017 0.000 0.842 337 A HN 0.536 nan 8.150 nan 0.000 0.475 338 A N 0.266 123.077 122.820 -0.014 0.000 1.892 338 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 338 A C 2.397 179.928 177.584 -0.089 0.000 1.188 338 A CA 2.112 54.136 52.037 -0.022 0.000 0.631 338 A CB -1.473 17.567 19.000 0.067 0.000 0.822 338 A HN 0.734 nan 8.150 nan 0.000 0.447 339 G N -0.917 107.837 108.800 -0.077 0.000 2.553 339 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 339 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 339 G C 1.672 176.484 174.900 -0.145 0.000 1.195 339 G CA 1.548 46.580 45.100 -0.112 0.000 0.779 339 G HN 0.722 nan 8.290 nan 0.000 0.577 340 V N 0.090 119.920 119.914 -0.140 0.000 2.548 340 V HA -0.073 4.047 4.120 -0.000 0.000 0.249 340 V C 2.718 178.652 176.094 -0.267 0.000 1.055 340 V CA 2.377 64.575 62.300 -0.170 0.000 1.065 340 V CB -0.188 31.560 31.823 -0.126 0.000 0.681 340 V HN 0.525 nan 8.190 nan 0.000 0.462 341 Q N -0.436 119.174 119.800 -0.316 0.000 2.079 341 Q HA -0.240 4.100 4.340 -0.000 0.000 0.200 341 Q C 2.182 177.555 176.000 -1.044 0.000 0.974 341 Q CA 2.053 57.499 55.803 -0.595 0.000 0.840 341 Q CB -0.103 28.372 28.738 -0.438 0.000 0.898 341 Q HN 0.687 nan 8.270 nan 0.000 0.430 342 E N 0.365 120.218 120.200 -0.578 0.000 2.150 342 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 342 E C 1.821 178.288 176.600 -0.223 0.000 0.985 342 E CA 0.815 57.020 56.400 -0.325 0.000 0.814 342 E CB -0.001 29.647 29.700 -0.087 0.000 0.752 342 E HN 0.346 nan 8.360 nan 0.000 0.466 343 A N 0.601 123.281 122.820 -0.233 0.000 1.969 343 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 343 A C 2.082 179.565 177.584 -0.169 0.000 1.169 343 A CA 0.887 52.830 52.037 -0.157 0.000 0.635 343 A CB -0.386 18.523 19.000 -0.151 0.000 0.810 343 A HN 0.171 nan 8.150 nan 0.000 0.445 344 I N -1.576 118.829 120.570 -0.275 0.000 2.286 344 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 344 I C 2.213 178.272 176.117 -0.097 0.000 1.104 344 I CA 1.054 62.209 61.300 -0.241 0.000 1.397 344 I CB -0.435 37.388 38.000 -0.295 0.000 1.072 344 I HN 0.356 nan 8.210 nan 0.000 0.417 345 Y N 0.958 121.230 120.300 -0.048 0.000 2.207 345 Y HA -0.213 4.337 4.550 -0.000 0.000 0.287 345 Y C 2.933 178.801 175.900 -0.052 0.000 1.156 345 Y CA 0.858 58.939 58.100 -0.032 0.000 1.182 345 Y CB -1.380 37.068 38.460 -0.020 0.000 0.979 345 Y HN 0.114 nan 8.280 nan 0.000 0.521 346 S N -0.023 115.746 115.700 0.114 0.000 2.368 346 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 346 S C 2.145 176.757 174.600 0.021 0.000 1.029 346 S CA 1.034 59.286 58.200 0.086 0.000 0.988 346 S CB -0.580 62.688 63.200 0.112 0.000 0.838 346 S HN 0.358 nan 8.310 nan 0.000 0.462 347 L N 1.036 122.257 121.223 -0.004 0.000 2.093 347 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 347 L C 2.146 179.055 176.870 0.065 0.000 1.085 347 L CA 0.894 55.729 54.840 -0.010 0.000 0.755 347 L CB -0.535 41.440 42.059 -0.140 0.000 0.904 347 L HN 0.282 nan 8.230 nan 0.000 0.435 348 L N -1.123 120.155 121.223 0.093 0.000 2.093 348 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 348 L C 2.582 179.623 176.870 0.284 0.000 1.085 348 L CA 1.159 56.162 54.840 0.272 0.000 0.755 348 L CB -0.304 41.911 42.059 0.260 0.000 0.904 348 L HN 0.318 nan 8.230 nan 0.000 0.435 349 M N -0.916 118.652 119.600 -0.054 0.000 2.156 349 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 349 M C 2.257 178.472 176.300 -0.141 0.000 1.067 349 M CA 1.447 56.479 55.300 -0.446 0.000 1.131 349 M CB -0.223 31.895 32.600 -0.804 0.000 1.368 349 M HN 0.196 nan 8.290 nan 0.000 0.416 350 L N 0.575 121.773 121.223 -0.042 0.000 2.093 350 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 350 L C 2.218 179.121 176.870 0.055 0.000 1.085 350 L CA 1.926 56.773 54.840 0.011 0.000 0.755 350 L CB -0.468 41.612 42.059 0.034 0.000 0.904 350 L HN 0.220 nan 8.230 nan 0.000 0.435 351 E N -1.419 118.842 120.200 0.102 0.000 2.107 351 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 351 E C 1.647 178.186 176.600 -0.102 0.000 0.982 351 E CA 1.299 57.725 56.400 0.044 0.000 0.809 351 E CB -0.082 29.709 29.700 0.151 0.000 0.756 351 E HN 0.612 nan 8.360 nan 0.000 0.459 352 H N -0.993 118.191 119.070 0.191 0.000 2.549 352 H HA 0.255 4.811 4.556 -0.000 0.000 0.279 352 H C 0.446 175.911 175.328 0.228 0.000 1.018 352 H CA 0.453 56.631 56.048 0.217 0.000 1.175 352 H CB 0.500 30.433 29.762 0.286 0.000 1.485 352 H HN 0.279 nan 8.280 nan 0.000 0.543 353 G N 2.139 111.070 108.800 0.218 0.000 2.370 353 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.293 353 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.293 353 G C -0.234 174.805 174.900 0.232 0.000 0.992 353 G CA 0.925 46.114 45.100 0.150 0.000 1.247 353 G HN 0.536 nan 8.290 nan 0.000 0.505 354 F N -1.351 118.587 119.950 -0.021 0.000 2.741 354 F HA 0.806 5.333 4.527 -0.000 0.000 0.311 354 F C -1.117 174.589 175.800 -0.157 0.000 1.149 354 F CA -2.186 55.777 58.000 -0.062 0.000 0.930 354 F CB 1.128 40.105 39.000 -0.038 0.000 1.312 354 F HN 0.094 nan 8.300 nan 0.000 0.450 355 I N 2.650 123.050 120.570 -0.284 0.000 2.436 355 I HA 0.629 4.799 4.170 -0.000 0.000 0.289 355 I C -0.059 175.916 176.117 -0.237 0.000 1.010 355 I CA -1.199 59.767 61.300 -0.556 0.000 1.098 355 I CB 1.799 39.604 38.000 -0.325 0.000 1.266 355 I HN 0.981 nan 8.210 nan 0.000 0.434 356 A N 8.839 131.428 122.820 -0.385 0.000 2.462 356 A HA 0.470 4.790 4.320 -0.000 0.000 0.243 356 A C -2.355 175.233 177.584 0.007 0.000 1.076 356 A CA -1.002 51.030 52.037 -0.008 0.000 0.773 356 A CB -0.346 18.616 19.000 -0.064 0.000 1.010 356 A HN 0.422 nan 8.150 nan 0.000 0.493 357 P HA 0.121 nan 4.420 nan 0.000 0.280 357 P C -0.348 176.976 177.300 0.040 0.000 1.244 357 P CA -0.183 62.941 63.100 0.041 0.000 0.784 357 P CB 1.274 32.994 31.700 0.034 0.000 0.913 358 S N 3.614 119.350 115.700 0.060 0.000 2.681 358 S HA 0.280 4.750 4.470 -0.000 0.000 0.313 358 S C 0.837 175.469 174.600 0.053 0.000 1.137 358 S CA -0.769 57.477 58.200 0.077 0.000 1.045 358 S CB -1.494 61.792 63.200 0.144 0.000 1.208 358 S HN 0.350 nan 8.310 nan 0.000 0.523 359 I N 1.797 122.381 120.570 0.022 0.000 3.322 359 I HA 0.375 4.545 4.170 -0.000 0.000 0.296 359 I C 0.616 176.734 176.117 0.003 0.000 1.101 359 I CA -0.508 60.797 61.300 0.009 0.000 1.166 359 I CB 0.197 38.192 38.000 -0.008 0.000 1.475 359 I HN 0.461 nan 8.210 nan 0.000 0.665 360 N N 0.737 119.434 118.700 -0.005 0.000 2.708 360 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 360 N C -0.433 175.076 175.510 -0.000 0.000 1.123 360 N CA 1.015 54.054 53.050 -0.018 0.000 0.739 360 N CB -1.353 37.097 38.487 -0.061 0.000 1.113 360 N HN 0.585 nan 8.380 nan 0.000 0.561 361 I N 1.228 121.813 120.570 0.024 0.000 2.224 361 I HA 0.031 4.201 4.170 -0.000 0.000 0.293 361 I C 1.411 177.550 176.117 0.036 0.000 1.155 361 I CA -0.008 61.316 61.300 0.040 0.000 1.297 361 I CB 0.205 38.240 38.000 0.060 0.000 1.487 361 I HN 0.023 nan 8.210 nan 0.000 0.564 362 E N 3.327 123.555 120.200 0.047 0.000 2.216 362 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 362 E C 0.539 177.171 176.600 0.054 0.000 0.988 362 E CA 0.705 57.144 56.400 0.065 0.000 0.834 362 E CB 0.407 30.174 29.700 0.111 0.000 0.772 362 E HN 0.498 nan 8.360 nan 0.000 0.479 363 E N 1.011 121.224 120.200 0.022 0.000 2.542 363 E HA 0.101 4.450 4.350 -0.000 0.000 0.298 363 E C -1.296 175.280 176.600 -0.040 0.000 0.980 363 E CA -0.482 55.905 56.400 -0.021 0.000 0.792 363 E CB 0.813 30.466 29.700 -0.079 0.000 1.463 363 E HN -0.049 nan 8.360 nan 0.000 0.389 364 L N 3.123 124.339 121.223 -0.011 0.000 2.554 364 L HA 0.019 4.359 4.340 -0.000 0.000 0.293 364 L C 0.092 176.954 176.870 -0.013 0.000 1.252 364 L CA 1.010 55.849 54.840 -0.002 0.000 0.862 364 L CB 0.514 42.566 42.059 -0.012 0.000 1.113 364 L HN 0.522 nan 8.230 nan 0.000 0.510 365 D N 2.977 123.384 120.400 0.012 0.000 2.308 365 D HA 0.030 4.670 4.640 -0.000 0.000 0.251 365 D C 0.754 177.056 176.300 0.003 0.000 1.127 365 D CA -0.106 53.901 54.000 0.011 0.000 0.876 365 D CB 1.014 41.848 40.800 0.057 0.000 1.176 365 D HN 0.708 nan 8.370 nan 0.000 0.446 366 E N 2.080 122.280 120.200 -0.001 0.000 2.114 366 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 366 E C 1.349 177.950 176.600 0.002 0.000 1.008 366 E CA 1.166 57.566 56.400 -0.001 0.000 0.810 366 E CB 0.100 29.802 29.700 0.003 0.000 0.739 366 E HN 0.605 nan 8.360 nan 0.000 0.456 367 Q N -0.634 119.174 119.800 0.014 0.000 2.515 367 Q HA 0.043 4.383 4.340 -0.000 0.000 0.212 367 Q C 1.234 177.237 176.000 0.006 0.000 0.970 367 Q CA 0.520 56.333 55.803 0.017 0.000 0.941 367 Q CB 0.364 29.123 28.738 0.034 0.000 0.998 367 Q HN 0.181 nan 8.270 nan 0.000 0.518 368 A N 0.266 123.077 122.820 -0.014 0.000 2.430 368 A HA 0.458 4.778 4.320 -0.000 0.000 0.243 368 A C 0.755 178.292 177.584 -0.080 0.000 1.254 368 A CA -0.136 51.860 52.037 -0.068 0.000 0.914 368 A CB 0.349 19.284 19.000 -0.109 0.000 0.998 368 A HN 0.241 nan 8.150 nan 0.000 0.515 369 A N -0.918 121.875 122.820 -0.045 0.000 2.425 369 A HA 0.491 4.811 4.320 -0.000 0.000 0.249 369 A C 1.475 179.036 177.584 -0.039 0.000 1.084 369 A CA 0.533 52.546 52.037 -0.040 0.000 0.781 369 A CB -0.326 18.660 19.000 -0.023 0.000 1.019 369 A HN 1.859 nan 8.150 nan 0.000 0.490 370 G N 0.381 109.156 108.800 -0.040 0.000 2.175 370 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 370 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 370 G C -0.045 174.826 174.900 -0.048 0.000 0.982 370 G CA 0.368 45.447 45.100 -0.034 0.000 0.641 370 G HN 0.751 nan 8.290 nan 0.000 0.527 371 L N -0.364 120.815 121.223 -0.074 0.000 2.304 371 L HA 0.601 4.941 4.340 -0.000 0.000 0.268 371 L C 0.205 177.012 176.870 -0.104 0.000 1.010 371 L CA -1.225 53.555 54.840 -0.100 0.000 0.813 371 L CB 1.453 43.427 42.059 -0.142 0.000 1.315 371 L HN 0.043 nan 8.230 nan 0.000 0.445 372 N N 1.904 120.535 118.700 -0.115 0.000 3.194 372 N HA 0.306 5.046 4.740 -0.000 0.000 0.271 372 N C -0.943 174.507 175.510 -0.101 0.000 1.308 372 N CA -0.191 52.804 53.050 -0.091 0.000 1.042 372 N CB 0.009 38.450 38.487 -0.076 0.000 1.310 372 N HN 0.412 nan 8.380 nan 0.000 0.502 373 I N 2.261 122.757 120.570 -0.122 0.000 2.308 373 I HA 0.120 4.290 4.170 -0.000 0.000 0.293 373 I C 0.221 176.309 176.117 -0.048 0.000 1.078 373 I CA -0.703 60.520 61.300 -0.128 0.000 1.292 373 I CB 0.954 38.810 38.000 -0.240 0.000 1.423 373 I HN -0.094 nan 8.210 nan 0.000 0.493 374 V N 5.937 125.851 119.914 -0.000 0.000 2.479 374 V HA 0.013 4.133 4.120 -0.000 0.000 0.281 374 V C 1.331 177.445 176.094 0.033 0.000 1.031 374 V CA 0.249 62.562 62.300 0.022 0.000 1.038 374 V CB 0.829 32.677 31.823 0.043 0.000 0.981 374 V HN 0.893 nan 8.190 nan 0.000 0.478 375 T N 0.526 115.094 114.554 0.023 0.000 3.085 375 T HA 0.294 4.644 4.350 -0.000 0.000 0.264 375 T C 0.148 174.862 174.700 0.024 0.000 1.019 375 T CA -0.248 61.868 62.100 0.027 0.000 0.910 375 T CB -0.190 68.691 68.868 0.021 0.000 1.059 375 T HN 0.832 nan 8.240 nan 0.000 0.542 376 E N 0.205 120.420 120.200 0.024 0.000 2.343 376 E HA 0.390 4.740 4.350 -0.000 0.000 0.278 376 E C -1.459 175.162 176.600 0.035 0.000 0.910 376 E CA -1.069 55.345 56.400 0.023 0.000 0.757 376 E CB 1.003 30.713 29.700 0.015 0.000 1.218 376 E HN -0.108 nan 8.360 nan 0.000 0.435 377 T N 2.783 117.362 114.554 0.041 0.000 2.758 377 T HA 0.117 4.467 4.350 -0.000 0.000 0.281 377 T C -0.038 174.704 174.700 0.069 0.000 0.963 377 T CA 0.583 62.730 62.100 0.079 0.000 1.201 377 T CB -0.255 68.637 68.868 0.039 0.000 0.906 377 T HN 0.551 nan 8.240 nan 0.000 0.528 378 T N 0.960 115.569 114.554 0.091 0.000 2.824 378 T HA 0.384 4.734 4.350 -0.000 0.000 0.282 378 T C -0.749 174.009 174.700 0.097 0.000 0.993 378 T CA -1.208 60.931 62.100 0.064 0.000 0.967 378 T CB 1.338 70.226 68.868 0.034 0.000 0.960 378 T HN 0.311 nan 8.240 nan 0.000 0.441 379 D N 2.577 123.025 120.400 0.080 0.000 2.308 379 D HA 0.459 5.099 4.640 -0.000 0.000 0.251 379 D C 0.198 176.536 176.300 0.062 0.000 1.127 379 D CA -0.042 54.016 54.000 0.095 0.000 0.876 379 D CB 1.439 42.277 40.800 0.063 0.000 1.176 379 D HN 0.662 nan 8.370 nan 0.000 0.446 380 R N 1.137 121.674 120.500 0.062 0.000 2.644 380 R HA 0.079 4.419 4.340 -0.000 0.000 0.257 380 R C -1.317 175.002 176.300 0.030 0.000 1.082 380 R CA -0.568 55.552 56.100 0.033 0.000 0.927 380 R CB 1.203 31.512 30.300 0.015 0.000 1.258 380 R HN 0.199 nan 8.270 nan 0.000 0.459 381 E N 4.631 124.847 120.200 0.026 0.000 1.858 381 E HA 0.121 4.471 4.350 -0.000 0.000 0.267 381 E C -0.296 176.315 176.600 0.018 0.000 1.215 381 E CA -0.051 56.363 56.400 0.024 0.000 0.952 381 E CB 0.366 30.079 29.700 0.021 0.000 1.058 381 E HN 0.316 nan 8.360 nan 0.000 0.407 382 L N 1.709 122.938 121.223 0.011 0.000 2.417 382 L HA 0.137 4.477 4.340 -0.000 0.000 0.268 382 L C 1.247 178.130 176.870 0.022 0.000 1.158 382 L CA 0.027 54.875 54.840 0.014 0.000 0.819 382 L CB 0.925 42.981 42.059 -0.005 0.000 1.112 382 L HN 0.430 nan 8.230 nan 0.000 0.458 383 T N -1.180 113.392 114.554 0.030 0.000 3.075 383 T HA 0.078 4.428 4.350 -0.000 0.000 0.251 383 T C 0.267 174.988 174.700 0.035 0.000 0.979 383 T CA 0.303 62.420 62.100 0.028 0.000 1.033 383 T CB 0.652 69.535 68.868 0.025 0.000 1.104 383 T HN 0.608 nan 8.240 nan 0.000 0.473 384 T N 3.089 117.671 114.554 0.045 0.000 2.840 384 T HA 0.668 5.018 4.350 -0.000 0.000 0.287 384 T C -0.582 174.159 174.700 0.068 0.000 0.991 384 T CA -0.685 61.447 62.100 0.052 0.000 0.964 384 T CB 1.855 70.755 68.868 0.053 0.000 0.954 384 T HN 0.218 nan 8.240 nan 0.000 0.438 385 V N 1.214 121.170 119.914 0.070 0.000 2.919 385 V HA 0.859 4.979 4.120 -0.000 0.000 0.316 385 V C -0.511 175.609 176.094 0.043 0.000 1.077 385 V CA -1.251 61.100 62.300 0.086 0.000 0.977 385 V CB 2.135 34.048 31.823 0.150 0.000 1.039 385 V HN 0.954 nan 8.190 nan 0.000 0.441 386 M N 2.567 122.160 119.600 -0.012 0.000 2.457 386 M HA 0.707 5.187 4.480 -0.000 0.000 0.300 386 M C -1.071 175.175 176.300 -0.089 0.000 1.141 386 M CA -0.233 55.053 55.300 -0.023 0.000 0.901 386 M CB 2.211 34.823 32.600 0.019 0.000 1.687 386 M HN 0.942 nan 8.290 nan 0.000 0.449 387 S N 3.113 118.774 115.700 -0.066 0.000 2.594 387 S HA 0.618 5.088 4.470 -0.000 0.000 0.296 387 S C -1.406 173.108 174.600 -0.142 0.000 1.124 387 S CA -0.747 57.390 58.200 -0.106 0.000 1.011 387 S CB 1.027 64.177 63.200 -0.082 0.000 1.016 387 S HN 0.830 nan 8.310 nan 0.000 0.485 388 N N 1.964 120.526 118.700 -0.230 0.000 2.361 388 N HA 0.562 5.301 4.740 -0.000 0.000 0.302 388 N C -1.424 173.690 175.510 -0.660 0.000 1.074 388 N CA -0.450 52.321 53.050 -0.465 0.000 0.850 388 N CB 1.934 40.083 38.487 -0.564 0.000 1.228 388 N HN 0.456 nan 8.380 nan 0.000 0.491 389 S N 1.512 116.701 115.700 -0.851 0.000 2.733 389 S HA 0.538 5.008 4.470 -0.000 0.000 0.294 389 S C -1.361 172.773 174.600 -0.777 0.000 1.149 389 S CA -0.593 57.202 58.200 -0.674 0.000 1.034 389 S CB 0.303 63.304 63.200 -0.331 0.000 1.015 389 S HN 0.290 nan 8.310 nan 0.000 0.486 390 F N 1.638 121.111 119.950 -0.794 0.000 2.500 390 F HA 0.659 5.186 4.527 -0.000 0.000 0.349 390 F C 0.753 176.215 175.800 -0.563 0.000 1.127 390 F CA -1.037 56.586 58.000 -0.627 0.000 0.998 390 F CB 1.213 39.870 39.000 -0.573 0.000 1.237 390 F HN 0.621 nan 8.300 nan 0.000 0.439 391 G N 1.532 110.281 108.800 -0.085 0.000 2.521 391 G HA2 0.568 4.528 3.960 -0.000 0.000 0.323 391 G HA3 0.568 4.528 3.960 -0.000 0.000 0.323 391 G C -0.665 174.234 174.900 -0.000 0.000 1.211 391 G CA -0.779 44.258 45.100 -0.106 0.000 0.979 391 G HN 0.364 nan 8.290 nan 0.000 0.490 392 F N -0.149 119.895 119.950 0.156 0.000 2.628 392 F HA 0.287 4.814 4.527 -0.000 0.000 0.362 392 F C 1.705 177.569 175.800 0.106 0.000 1.148 392 F CA 1.541 59.626 58.000 0.142 0.000 1.352 392 F CB 0.770 39.868 39.000 0.163 0.000 1.081 392 F HN 0.815 nan 8.300 nan 0.000 0.605 393 G N 0.818 109.800 108.800 0.303 0.000 2.157 393 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.239 393 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.239 393 G C 0.764 175.740 174.900 0.128 0.000 0.982 393 G CA 0.029 45.234 45.100 0.174 0.000 0.650 393 G HN 1.847 nan 8.290 nan 0.000 0.527 394 G N -1.061 107.819 108.800 0.134 0.000 2.221 394 G HA2 0.071 4.031 3.960 -0.000 0.000 0.265 394 G HA3 0.071 4.031 3.960 -0.000 0.000 0.265 394 G C 0.405 175.350 174.900 0.075 0.000 1.041 394 G CA 1.429 46.576 45.100 0.079 0.000 0.807 394 G HN 2.034 nan 8.290 nan 0.000 0.502 395 T N 0.416 115.039 114.554 0.114 0.000 2.767 395 T HA 0.559 4.909 4.350 -0.000 0.000 0.288 395 T C 0.034 174.853 174.700 0.198 0.000 0.963 395 T CA -0.561 61.633 62.100 0.157 0.000 1.019 395 T CB 0.285 69.269 68.868 0.194 0.000 0.923 395 T HN 0.309 nan 8.240 nan 0.000 0.468 396 N N 3.183 122.012 118.700 0.215 0.000 2.321 396 N HA 0.692 5.432 4.740 -0.000 0.000 0.299 396 N C -1.211 174.408 175.510 0.182 0.000 1.048 396 N CA -0.617 52.589 53.050 0.261 0.000 0.836 396 N CB 2.087 40.683 38.487 0.182 0.000 1.269 396 N HN 0.751 nan 8.380 nan 0.000 0.486 397 A N 0.873 123.715 122.820 0.037 0.000 2.422 397 A HA 0.764 5.084 4.320 -0.000 0.000 0.302 397 A C -0.808 176.745 177.584 -0.052 0.000 1.041 397 A CA -0.502 51.468 52.037 -0.112 0.000 0.708 397 A CB 1.311 19.999 19.000 -0.520 0.000 1.257 397 A HN 0.456 nan 8.150 nan 0.000 0.414 398 T N 2.419 116.989 114.554 0.025 0.000 2.921 398 T HA 0.594 4.944 4.350 -0.000 0.000 0.297 398 T C -0.861 173.894 174.700 0.091 0.000 1.013 398 T CA -0.240 61.879 62.100 0.032 0.000 0.990 398 T CB 0.887 69.799 68.868 0.073 0.000 1.023 398 T HN 0.502 nan 8.240 nan 0.000 0.447 399 L N 2.648 123.902 121.223 0.050 0.000 2.346 399 L HA 0.781 5.121 4.340 -0.000 0.000 0.276 399 L C -0.799 176.097 176.870 0.044 0.000 1.006 399 L CA -1.179 53.702 54.840 0.068 0.000 0.817 399 L CB 2.088 44.154 42.059 0.012 0.000 1.272 399 L HN 0.334 nan 8.230 nan 0.000 0.421 400 V N 4.038 123.987 119.914 0.059 0.000 2.407 400 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 400 V C -0.170 175.948 176.094 0.039 0.000 1.018 400 V CA -0.299 62.032 62.300 0.051 0.000 0.842 400 V CB 1.698 33.559 31.823 0.063 0.000 0.996 400 V HN 0.705 nan 8.190 nan 0.000 0.426 401 M N 5.521 125.139 119.600 0.030 0.000 2.294 401 M HA 0.645 5.125 4.480 -0.000 0.000 0.335 401 M C -0.423 175.895 176.300 0.030 0.000 1.079 401 M CA -0.310 55.003 55.300 0.022 0.000 0.982 401 M CB 2.173 34.779 32.600 0.011 0.000 1.651 401 M HN 0.521 nan 8.290 nan 0.000 0.437 402 R N 1.720 122.234 120.500 0.024 0.000 2.744 402 R HA 0.478 4.818 4.340 -0.000 0.000 0.279 402 R C -0.964 175.345 176.300 0.015 0.000 0.977 402 R CA -0.808 55.306 56.100 0.024 0.000 0.906 402 R CB 1.984 32.298 30.300 0.024 0.000 1.197 402 R HN 0.645 nan 8.270 nan 0.000 0.463 403 K N 2.117 122.525 120.400 0.014 0.000 2.469 403 K HA -0.008 4.312 4.320 -0.000 0.000 0.274 403 K C -0.112 176.485 176.600 -0.005 0.000 0.983 403 K CA -0.101 56.188 56.287 0.003 0.000 0.974 403 K CB 0.384 32.887 32.500 0.005 0.000 0.913 403 K HN 0.260 nan 8.250 nan 0.000 0.493 404 L N 2.786 123.998 121.223 -0.018 0.000 2.418 404 L HA 0.077 4.417 4.340 -0.000 0.000 0.265 404 L C -0.392 176.469 176.870 -0.015 0.000 1.143 404 L CA -0.083 54.745 54.840 -0.020 0.000 0.809 404 L CB 0.700 42.739 42.059 -0.034 0.000 1.124 404 L HN 0.402 nan 8.230 nan 0.000 0.456 405 K N 2.670 123.063 120.400 -0.011 0.000 2.187 405 K HA 0.336 4.656 4.320 -0.000 0.000 0.242 405 K C -0.438 176.156 176.600 -0.011 0.000 1.179 405 K CA -0.384 55.898 56.287 -0.008 0.000 1.097 405 K CB -0.694 31.803 32.500 -0.005 0.000 1.634 405 K HN 0.547 nan 8.250 nan 0.000 0.335 406 D N 0.000 120.392 120.400 -0.013 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 406 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683