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 2vb9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 K N 1.923 122.330 120.400 0.012 0.000 2.154 2 K HA 0.515 4.835 4.320 -0.000 0.000 0.264 2 K C -0.412 176.192 176.600 0.006 0.000 1.008 2 K CA -0.271 56.020 56.287 0.007 0.000 0.937 2 K CB 0.878 33.379 32.500 0.002 0.000 1.002 2 K HN 0.326 nan 8.250 nan 0.000 0.469 3 R N 0.199 120.701 120.500 0.003 0.000 2.540 3 R HA 0.520 4.860 4.340 -0.000 0.000 0.287 3 R C -0.550 175.743 176.300 -0.011 0.000 0.980 3 R CA -0.619 55.482 56.100 0.000 0.000 0.966 3 R CB 1.682 31.983 30.300 0.002 0.000 1.106 3 R HN 0.667 nan 8.270 nan 0.000 0.480 4 A N 2.085 124.896 122.820 -0.017 0.000 2.331 4 A HA 0.640 4.960 4.320 -0.000 0.000 0.320 4 A C -0.505 177.058 177.584 -0.036 0.000 1.138 4 A CA -0.686 51.330 52.037 -0.036 0.000 0.790 4 A CB 1.158 20.130 19.000 -0.048 0.000 1.206 4 A HN 0.530 nan 8.150 nan 0.000 0.470 5 V N 0.094 119.981 119.914 -0.045 0.000 3.074 5 V HA 0.733 4.853 4.120 -0.000 0.000 0.314 5 V C -0.646 175.418 176.094 -0.050 0.000 1.117 5 V CA -1.079 61.196 62.300 -0.041 0.000 1.014 5 V CB 1.757 33.559 31.823 -0.036 0.000 1.057 5 V HN 0.629 nan 8.190 nan 0.000 0.438 6 I N 3.054 123.608 120.570 -0.027 0.000 2.336 6 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 6 I C 1.107 177.269 176.117 0.075 0.000 0.991 6 I CA 0.228 61.522 61.300 -0.012 0.000 1.227 6 I CB 1.268 39.245 38.000 -0.039 0.000 1.366 6 I HN 1.059 nan 8.210 nan 0.000 0.466 7 T N 0.992 115.581 114.554 0.060 0.000 3.043 7 T HA 0.461 4.811 4.350 -0.000 0.000 0.272 7 T C 0.519 175.329 174.700 0.182 0.000 0.990 7 T CA -0.222 61.919 62.100 0.068 0.000 0.897 7 T CB 0.639 69.504 68.868 -0.005 0.000 1.111 7 T HN 0.759 nan 8.240 nan 0.000 0.529 8 G N 1.369 110.293 108.800 0.207 0.000 2.667 8 G HA2 0.568 4.528 3.960 -0.000 0.000 0.294 8 G HA3 0.568 4.528 3.960 -0.000 0.000 0.294 8 G C -2.079 172.858 174.900 0.061 0.000 1.467 8 G CA -0.850 44.382 45.100 0.220 0.000 0.852 8 G HN 0.678 nan 8.290 nan 0.000 0.521 9 L N -1.298 119.945 121.223 0.033 0.000 2.479 9 L HA 1.073 5.413 4.340 -0.000 0.000 0.255 9 L C -0.081 176.766 176.870 -0.039 0.000 1.026 9 L CA -0.842 53.950 54.840 -0.080 0.000 0.842 9 L CB 1.854 43.766 42.059 -0.246 0.000 1.444 9 L HN 1.380 nan 8.230 nan 0.000 0.409 10 G N 0.546 109.309 108.800 -0.063 0.000 2.742 10 G HA2 0.728 4.688 3.960 -0.000 0.000 0.296 10 G HA3 0.728 4.688 3.960 -0.000 0.000 0.296 10 G C -2.161 172.708 174.900 -0.051 0.000 1.436 10 G CA -0.549 44.523 45.100 -0.047 0.000 0.928 10 G HN 1.053 nan 8.290 nan 0.000 0.520 11 I N 1.024 121.577 120.570 -0.027 0.000 2.710 11 I HA 0.533 4.703 4.170 -0.000 0.000 0.290 11 I C -1.510 174.600 176.117 -0.011 0.000 1.318 11 I CA -0.820 60.464 61.300 -0.026 0.000 1.045 11 I CB 2.150 40.135 38.000 -0.025 0.000 1.307 11 I HN 0.362 nan 8.210 nan 0.000 0.424 12 V N 6.633 126.530 119.914 -0.029 0.000 2.376 12 V HA 0.695 4.815 4.120 -0.000 0.000 0.287 12 V C -0.226 175.789 176.094 -0.132 0.000 1.015 12 V CA -0.252 62.007 62.300 -0.067 0.000 0.834 12 V CB 1.363 33.151 31.823 -0.059 0.000 1.001 12 V HN 0.806 nan 8.190 nan 0.000 0.428 13 S N 2.104 117.744 115.700 -0.101 0.000 2.651 13 S HA 0.427 4.897 4.470 -0.000 0.000 0.279 13 S C 0.996 175.540 174.600 -0.093 0.000 1.148 13 S CA 0.058 58.213 58.200 -0.076 0.000 0.837 13 S CB 1.786 65.025 63.200 0.065 0.000 1.138 13 S HN 0.934 nan 8.310 nan 0.000 0.478 14 S N 0.513 116.165 115.700 -0.081 0.000 2.469 14 S HA -0.103 4.367 4.470 -0.000 0.000 0.238 14 S C 1.409 175.979 174.600 -0.049 0.000 0.998 14 S CA 1.122 59.275 58.200 -0.079 0.000 0.957 14 S CB -1.134 62.032 63.200 -0.057 0.000 0.764 14 S HN 1.103 nan 8.310 nan 0.000 0.514 15 I N -2.841 117.706 120.570 -0.039 0.000 4.025 15 I HA 0.661 4.831 4.170 -0.000 0.000 0.336 15 I C 0.524 176.620 176.117 -0.035 0.000 1.390 15 I CA -0.372 60.898 61.300 -0.050 0.000 1.099 15 I CB 0.384 38.323 38.000 -0.102 0.000 1.049 15 I HN 0.276 nan 8.210 nan 0.000 0.394 16 G N 1.030 109.817 108.800 -0.022 0.000 2.380 16 G HA2 0.048 4.008 3.960 -0.000 0.000 0.305 16 G HA3 0.048 4.008 3.960 -0.000 0.000 0.305 16 G C -0.810 174.083 174.900 -0.012 0.000 1.672 16 G CA -0.624 44.468 45.100 -0.013 0.000 0.904 16 G HN -0.025 nan 8.290 nan 0.000 0.686 17 N N 0.141 118.834 118.700 -0.012 0.000 2.398 17 N HA 0.082 4.822 4.740 -0.000 0.000 0.188 17 N C 0.422 175.935 175.510 0.006 0.000 1.122 17 N CA 0.798 53.842 53.050 -0.009 0.000 0.866 17 N CB 0.156 38.641 38.487 -0.003 0.000 0.970 17 N HN 0.828 nan 8.380 nan 0.000 0.462 18 N N -1.962 116.744 118.700 0.010 0.000 3.116 18 N HA -0.009 4.731 4.740 -0.000 0.000 0.244 18 N C 0.299 175.824 175.510 0.025 0.000 1.485 18 N CA -0.699 52.362 53.050 0.018 0.000 0.884 18 N CB 0.481 38.979 38.487 0.018 0.000 1.415 18 N HN -0.153 nan 8.380 nan 0.000 0.524 19 Q N -1.142 118.679 119.800 0.035 0.000 2.224 19 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 19 Q C 0.822 176.836 176.000 0.023 0.000 0.970 19 Q CA 1.078 56.910 55.803 0.048 0.000 0.865 19 Q CB -0.177 28.605 28.738 0.073 0.000 0.922 19 Q HN 0.583 nan 8.270 nan 0.000 0.445 20 Q N 1.175 120.980 119.800 0.008 0.000 2.046 20 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 20 Q C 1.885 177.862 176.000 -0.039 0.000 0.975 20 Q CA 1.651 57.439 55.803 -0.025 0.000 0.836 20 Q CB -0.017 28.711 28.738 -0.016 0.000 0.896 20 Q HN 0.643 nan 8.270 nan 0.000 0.428 21 E N 0.042 120.229 120.200 -0.021 0.000 2.077 21 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 21 E C 2.200 178.781 176.600 -0.032 0.000 0.989 21 E CA 0.988 57.372 56.400 -0.028 0.000 0.800 21 E CB 0.086 29.776 29.700 -0.017 0.000 0.746 21 E HN 0.062 nan 8.360 nan 0.000 0.452 22 V N 1.464 121.374 119.914 -0.007 0.000 2.255 22 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 22 V C 2.329 178.412 176.094 -0.017 0.000 1.051 22 V CA 1.617 63.922 62.300 0.009 0.000 1.018 22 V CB -0.460 31.426 31.823 0.106 0.000 0.641 22 V HN 0.253 nan 8.190 nan 0.000 0.445 23 L N 0.946 122.154 121.223 -0.025 0.000 2.012 23 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 23 L C 2.449 179.219 176.870 -0.166 0.000 1.073 23 L CA 2.555 57.343 54.840 -0.086 0.000 0.748 23 L CB -1.124 40.804 42.059 -0.218 0.000 0.891 23 L HN 0.238 nan 8.230 nan 0.000 0.431 24 A N -1.476 121.255 122.820 -0.148 0.000 1.908 24 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 24 A C 2.380 179.890 177.584 -0.124 0.000 1.181 24 A CA 2.138 54.086 52.037 -0.148 0.000 0.627 24 A CB -1.005 17.931 19.000 -0.107 0.000 0.818 24 A HN 0.567 nan 8.150 nan 0.000 0.445 25 S N -0.133 115.510 115.700 -0.095 0.000 2.368 25 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 25 S C 1.829 176.374 174.600 -0.090 0.000 1.029 25 S CA 1.331 59.478 58.200 -0.088 0.000 0.988 25 S CB -0.475 62.671 63.200 -0.089 0.000 0.838 25 S HN 0.503 nan 8.310 nan 0.000 0.462 26 L N 1.006 122.182 121.223 -0.078 0.000 2.012 26 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 26 L C 2.730 179.632 176.870 0.053 0.000 1.073 26 L CA 1.442 56.292 54.840 0.016 0.000 0.748 26 L CB -0.455 41.719 42.059 0.191 0.000 0.891 26 L HN 0.232 nan 8.230 nan 0.000 0.431 27 R N -0.553 119.859 120.500 -0.146 0.000 2.115 27 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 27 R C 2.023 178.248 176.300 -0.125 0.000 1.111 27 R CA 0.835 56.773 56.100 -0.270 0.000 0.976 27 R CB -0.074 29.944 30.300 -0.472 0.000 0.870 27 R HN 0.228 nan 8.270 nan 0.000 0.445 28 E N -0.650 119.489 120.200 -0.102 0.000 2.435 28 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 28 E C 0.917 177.490 176.600 -0.045 0.000 1.029 28 E CA 0.607 56.965 56.400 -0.071 0.000 0.865 28 E CB 0.256 29.914 29.700 -0.070 0.000 0.833 28 E HN 0.464 nan 8.360 nan 0.000 0.510 29 G N 2.123 110.900 108.800 -0.038 0.000 2.221 29 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.265 29 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.265 29 G C 0.257 175.133 174.900 -0.040 0.000 1.041 29 G CA 0.548 45.629 45.100 -0.031 0.000 0.807 29 G HN 0.254 nan 8.290 nan 0.000 0.502 30 R N 0.467 120.937 120.500 -0.050 0.000 2.298 30 R HA 0.477 4.817 4.340 -0.000 0.000 0.310 30 R C 0.791 177.064 176.300 -0.046 0.000 1.068 30 R CA 0.273 56.347 56.100 -0.044 0.000 0.957 30 R CB 0.484 30.755 30.300 -0.048 0.000 1.003 30 R HN 0.246 nan 8.270 nan 0.000 0.454 31 S N 2.312 117.995 115.700 -0.028 0.000 2.531 31 S HA 0.159 4.629 4.470 -0.000 0.000 0.279 31 S C 1.012 175.607 174.600 -0.009 0.000 1.305 31 S CA -0.184 58.005 58.200 -0.019 0.000 1.058 31 S CB 1.050 64.249 63.200 -0.002 0.000 0.899 31 S HN 0.799 nan 8.310 nan 0.000 0.493 32 G N 4.451 113.245 108.800 -0.010 0.000 3.284 32 G HA2 0.219 4.179 3.960 -0.000 0.000 0.236 32 G HA3 0.219 4.179 3.960 -0.000 0.000 0.236 32 G C 0.150 175.076 174.900 0.043 0.000 1.158 32 G CA -0.223 44.879 45.100 0.003 0.000 0.774 32 G HN 0.623 nan 8.290 nan 0.000 0.545 33 I N 2.381 122.990 120.570 0.065 0.000 2.353 33 I HA 0.371 4.541 4.170 -0.000 0.000 0.293 33 I C 0.548 176.759 176.117 0.157 0.000 0.992 33 I CA -0.554 60.818 61.300 0.120 0.000 1.268 33 I CB 0.572 38.633 38.000 0.100 0.000 1.387 33 I HN 0.039 nan 8.210 nan 0.000 0.478 34 T N 2.626 117.329 114.554 0.248 0.000 2.916 34 T HA 0.564 4.914 4.350 -0.000 0.000 0.292 34 T C -0.441 174.412 174.700 0.254 0.000 1.064 34 T CA -0.724 61.535 62.100 0.265 0.000 1.011 34 T CB 1.865 70.913 68.868 0.300 0.000 1.152 34 T HN 0.229 nan 8.240 nan 0.000 0.510 35 F N 1.573 121.571 119.950 0.080 0.000 2.471 35 F HA 0.528 5.055 4.527 -0.000 0.000 0.353 35 F C 0.450 176.173 175.800 -0.129 0.000 1.113 35 F CA -0.004 57.991 58.000 -0.009 0.000 1.262 35 F CB 0.843 39.846 39.000 0.003 0.000 1.146 35 F HN 0.690 nan 8.300 nan 0.000 0.578 36 S N 4.671 119.545 115.700 -1.376 0.000 2.640 36 S HA 0.197 4.667 4.470 -0.000 0.000 0.320 36 S C 0.402 174.166 174.600 -1.393 0.000 1.097 36 S CA -0.685 56.680 58.200 -1.392 0.000 1.092 36 S CB 1.389 63.283 63.200 -2.176 0.000 0.988 36 S HN 0.881 nan 8.310 nan 0.000 0.470 37 Q N 3.462 122.817 119.800 -0.742 0.000 2.167 37 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 37 Q C 1.748 177.532 176.000 -0.359 0.000 0.970 37 Q CA 2.241 57.830 55.803 -0.357 0.000 0.855 37 Q CB -0.160 28.590 28.738 0.021 0.000 0.911 37 Q HN 0.916 nan 8.270 nan 0.000 0.438 38 E N -0.313 119.669 120.200 -0.363 0.000 2.038 38 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 38 E C 1.811 178.237 176.600 -0.291 0.000 1.000 38 E CA 1.496 57.752 56.400 -0.240 0.000 0.803 38 E CB -0.266 29.398 29.700 -0.059 0.000 0.750 38 E HN 0.475 nan 8.360 nan 0.000 0.448 39 L N 0.622 121.565 121.223 -0.467 0.000 2.012 39 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 39 L C 2.921 179.633 176.870 -0.264 0.000 1.073 39 L CA 1.749 56.414 54.840 -0.292 0.000 0.748 39 L CB -0.610 41.239 42.059 -0.350 0.000 0.891 39 L HN 0.199 nan 8.230 nan 0.000 0.431 40 K N 0.171 120.289 120.400 -0.470 0.000 2.057 40 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 40 K C 1.709 178.106 176.600 -0.339 0.000 1.049 40 K CA 1.788 57.715 56.287 -0.600 0.000 0.931 40 K CB 0.014 32.063 32.500 -0.752 0.000 0.714 40 K HN 0.207 nan 8.250 nan 0.000 0.440 41 D N 0.123 120.348 120.400 -0.293 0.000 2.178 41 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 41 D C 1.909 178.030 176.300 -0.297 0.000 0.980 41 D CA 1.504 55.357 54.000 -0.245 0.000 0.842 41 D CB -0.183 40.488 40.800 -0.214 0.000 0.948 41 D HN 0.345 nan 8.370 nan 0.000 0.472 42 S N -0.732 114.754 115.700 -0.356 0.000 2.500 42 S HA 0.047 4.517 4.470 -0.000 0.000 0.239 42 S C 1.748 176.190 174.600 -0.263 0.000 0.989 42 S CA 1.269 59.188 58.200 -0.470 0.000 0.951 42 S CB 0.017 62.946 63.200 -0.451 0.000 0.759 42 S HN 0.343 nan 8.310 nan 0.000 0.523 43 G N 0.285 108.989 108.800 -0.159 0.000 2.163 43 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.213 43 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.213 43 G C 0.023 174.925 174.900 0.003 0.000 0.991 43 G CA 0.096 45.151 45.100 -0.076 0.000 0.653 43 G HN 0.496 nan 8.290 nan 0.000 0.518 44 M N -0.417 119.202 119.600 0.031 0.000 2.198 44 M HA 0.399 4.879 4.480 -0.000 0.000 0.315 44 M C 1.859 178.246 176.300 0.146 0.000 1.134 44 M CA 0.092 55.443 55.300 0.085 0.000 1.171 44 M CB 0.503 33.160 32.600 0.095 0.000 1.413 44 M HN 0.168 nan 8.290 nan 0.000 0.467 45 R N -0.413 120.111 120.500 0.040 0.000 2.223 45 R HA 0.101 4.441 4.340 -0.000 0.000 0.198 45 R C 0.409 176.518 176.300 -0.317 0.000 0.984 45 R CA 0.186 56.238 56.100 -0.079 0.000 1.018 45 R CB 0.234 30.491 30.300 -0.072 0.000 0.945 45 R HN 0.525 nan 8.270 nan 0.000 0.479 46 S N 0.601 116.203 115.700 -0.163 0.000 2.430 46 S HA 0.128 4.598 4.470 -0.000 0.000 0.289 46 S C -0.162 174.392 174.600 -0.078 0.000 1.143 46 S CA -0.603 57.492 58.200 -0.176 0.000 1.067 46 S CB 0.231 63.370 63.200 -0.101 0.000 0.964 46 S HN 0.344 nan 8.310 nan 0.000 0.485 47 H N 2.945 121.938 119.070 -0.128 0.000 2.469 47 H HA 0.351 4.907 4.556 -0.000 0.000 0.286 47 H C -0.022 175.072 175.328 -0.391 0.000 1.106 47 H CA -0.636 55.222 56.048 -0.316 0.000 1.055 47 H CB 0.415 30.045 29.762 -0.221 0.000 1.618 47 H HN 0.441 nan 8.280 nan 0.000 0.559 48 V N -1.708 118.135 119.914 -0.119 0.000 2.823 48 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 48 V C -1.355 174.794 176.094 0.093 0.000 1.072 48 V CA -0.959 61.319 62.300 -0.036 0.000 0.937 48 V CB 2.111 33.982 31.823 0.079 0.000 1.013 48 V HN 0.406 nan 8.190 nan 0.000 0.430 49 W N 1.514 122.818 121.300 0.007 0.000 3.146 49 W HA 0.818 5.478 4.660 -0.000 0.000 0.319 49 W C -0.238 176.294 176.519 0.023 0.000 1.258 49 W CA -1.735 55.619 57.345 0.015 0.000 1.189 49 W CB 0.942 30.409 29.460 0.012 0.000 1.412 49 W HN 1.028 nan 8.180 nan 0.000 0.567 50 G N 3.585 112.497 108.800 0.186 0.000 3.058 50 G HA2 0.278 4.238 3.960 -0.000 0.000 0.316 50 G HA3 0.278 4.238 3.960 -0.000 0.000 0.316 50 G C -0.228 174.548 174.900 -0.208 0.000 0.951 50 G CA -0.624 44.486 45.100 0.016 0.000 1.535 50 G HN 0.554 nan 8.290 nan 0.000 0.500 51 N N 0.791 119.278 118.700 -0.354 0.000 2.525 51 N HA 0.118 4.858 4.740 -0.000 0.000 0.271 51 N C -0.135 175.183 175.510 -0.319 0.000 1.194 51 N CA -0.531 52.173 53.050 -0.577 0.000 0.964 51 N CB 1.776 39.839 38.487 -0.707 0.000 1.126 51 N HN -0.047 nan 8.380 nan 0.000 0.452 52 V N 1.469 121.168 119.914 -0.358 0.000 2.470 52 V HA 0.047 4.167 4.120 -0.000 0.000 0.276 52 V C 0.404 176.408 176.094 -0.150 0.000 1.040 52 V CA -0.232 61.890 62.300 -0.296 0.000 1.008 52 V CB -0.041 31.462 31.823 -0.534 0.000 0.990 52 V HN 0.573 nan 8.190 nan 0.000 0.477 53 K N 5.249 125.594 120.400 -0.090 0.000 2.319 53 K HA 0.583 4.903 4.320 -0.000 0.000 0.237 53 K C -0.988 175.607 176.600 -0.009 0.000 1.113 53 K CA -0.033 56.237 56.287 -0.027 0.000 1.072 53 K CB 0.404 32.898 32.500 -0.010 0.000 1.734 53 K HN 0.494 nan 8.250 nan 0.000 0.429 54 L N 0.803 122.031 121.223 0.009 0.000 2.543 54 L HA 0.363 4.703 4.340 -0.000 0.000 0.265 54 L C -1.735 175.168 176.870 0.055 0.000 0.945 54 L CA -0.531 54.328 54.840 0.031 0.000 0.869 54 L CB 1.951 44.031 42.059 0.034 0.000 1.294 54 L HN 0.206 nan 8.230 nan 0.000 0.405 55 D N 2.249 122.677 120.400 0.047 0.000 2.336 55 D HA 0.234 4.874 4.640 -0.000 0.000 0.249 55 D C 0.888 177.218 176.300 0.050 0.000 1.213 55 D CA 0.435 54.463 54.000 0.047 0.000 0.870 55 D CB 1.407 42.229 40.800 0.036 0.000 1.076 55 D HN 0.703 nan 8.370 nan 0.000 0.483 56 T N -0.227 114.360 114.554 0.055 0.000 3.107 56 T HA 0.037 4.387 4.350 -0.000 0.000 0.249 56 T C 0.804 175.514 174.700 0.018 0.000 1.096 56 T CA -0.312 61.818 62.100 0.050 0.000 1.012 56 T CB -0.416 68.488 68.868 0.060 0.000 0.977 56 T HN 0.277 nan 8.240 nan 0.000 0.527 57 T N 2.620 117.180 114.554 0.011 0.000 2.849 57 T HA 0.357 4.707 4.350 -0.000 0.000 0.289 57 T C 1.581 176.277 174.700 -0.008 0.000 1.010 57 T CA 0.952 63.048 62.100 -0.006 0.000 1.161 57 T CB -0.157 68.711 68.868 -0.000 0.000 0.989 57 T HN 0.766 nan 8.240 nan 0.000 0.523 58 G N 2.575 111.359 108.800 -0.026 0.000 2.189 58 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 58 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 58 G C 0.836 175.728 174.900 -0.014 0.000 0.975 58 G CA 0.407 45.492 45.100 -0.025 0.000 0.644 58 G HN 0.703 nan 8.290 nan 0.000 0.537 59 L N -0.600 120.620 121.223 -0.005 0.000 2.313 59 L HA 0.339 4.679 4.340 -0.000 0.000 0.214 59 L C 1.228 178.112 176.870 0.024 0.000 1.119 59 L CA 0.730 55.586 54.840 0.027 0.000 0.809 59 L CB -0.025 42.068 42.059 0.057 0.000 0.933 59 L HN 0.301 nan 8.230 nan 0.000 0.449 60 I N -1.155 119.381 120.570 -0.057 0.000 2.509 60 I HA 0.200 4.370 4.170 -0.000 0.000 0.293 60 I C -0.564 175.451 176.117 -0.170 0.000 1.020 60 I CA -1.058 60.146 61.300 -0.161 0.000 1.088 60 I CB 1.808 39.573 38.000 -0.392 0.000 1.267 60 I HN -0.185 nan 8.210 nan 0.000 0.430 61 D N 3.556 123.860 120.400 -0.159 0.000 2.629 61 D HA -0.105 4.535 4.640 -0.000 0.000 0.228 61 D C 1.221 177.421 176.300 -0.167 0.000 1.127 61 D CA 0.446 54.368 54.000 -0.131 0.000 0.855 61 D CB 0.758 41.494 40.800 -0.108 0.000 1.180 61 D HN 0.477 nan 8.370 nan 0.000 0.484 62 R N 2.909 123.327 120.500 -0.138 0.000 2.105 62 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 62 R C 1.315 177.486 176.300 -0.215 0.000 1.135 62 R CA 1.499 57.499 56.100 -0.166 0.000 0.967 62 R CB 0.131 30.354 30.300 -0.128 0.000 0.861 62 R HN 0.295 nan 8.270 nan 0.000 0.442 63 K N -0.512 119.790 120.400 -0.164 0.000 2.426 63 K HA 0.062 4.382 4.320 -0.000 0.000 0.193 63 K C 1.345 177.889 176.600 -0.094 0.000 1.028 63 K CA 0.435 56.630 56.287 -0.153 0.000 1.047 63 K CB 0.584 33.050 32.500 -0.057 0.000 0.821 63 K HN 0.071 nan 8.250 nan 0.000 0.513 64 V N -0.168 119.665 119.914 -0.135 0.000 2.521 64 V HA -0.095 4.024 4.120 -0.000 0.000 0.239 64 V C 1.835 177.812 176.094 -0.196 0.000 1.053 64 V CA 0.769 62.999 62.300 -0.116 0.000 1.073 64 V CB 0.423 32.083 31.823 -0.273 0.000 0.746 64 V HN 0.039 nan 8.190 nan 0.000 0.476 65 V N 2.446 122.173 119.914 -0.310 0.000 2.720 65 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 65 V C 2.710 178.585 176.094 -0.365 0.000 1.082 65 V CA 2.261 64.365 62.300 -0.326 0.000 1.101 65 V CB -0.656 30.989 31.823 -0.297 0.000 0.693 65 V HN 0.711 nan 8.190 nan 0.000 0.479 66 R N -1.224 118.970 120.500 -0.511 0.000 2.189 66 R HA -0.081 4.259 4.340 -0.000 0.000 0.223 66 R C 1.739 177.487 176.300 -0.920 0.000 1.092 66 R CA 1.737 57.340 56.100 -0.828 0.000 0.989 66 R CB -0.662 28.928 30.300 -1.183 0.000 0.876 66 R HN 0.480 nan 8.270 nan 0.000 0.457 67 F N 1.048 120.746 119.950 -0.420 0.000 2.811 67 F HA 0.317 4.844 4.527 -0.000 0.000 0.301 67 F C 0.827 176.473 175.800 -0.257 0.000 1.151 67 F CA 0.176 58.036 58.000 -0.233 0.000 1.412 67 F CB 0.077 39.005 39.000 -0.120 0.000 1.113 67 F HN -0.093 nan 8.300 nan 0.000 0.579 68 M N -0.123 119.356 119.600 -0.201 0.000 2.364 68 M HA 0.305 4.785 4.480 -0.000 0.000 0.334 68 M C 0.365 176.452 176.300 -0.356 0.000 1.107 68 M CA -0.638 54.528 55.300 -0.223 0.000 0.988 68 M CB 1.825 34.301 32.600 -0.207 0.000 1.673 68 M HN -0.014 nan 8.290 nan 0.000 0.441 69 S N 0.359 115.884 115.700 -0.292 0.000 2.681 69 S HA 0.281 4.751 4.470 -0.000 0.000 0.270 69 S C 0.395 174.890 174.600 -0.173 0.000 1.209 69 S CA -0.736 57.336 58.200 -0.214 0.000 0.988 69 S CB 0.900 64.063 63.200 -0.062 0.000 1.006 69 S HN 0.658 nan 8.310 nan 0.000 0.558 70 D N 1.112 121.415 120.400 -0.162 0.000 2.149 70 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 70 D C 2.184 178.160 176.300 -0.540 0.000 0.990 70 D CA 1.768 55.480 54.000 -0.481 0.000 0.839 70 D CB -0.914 39.604 40.800 -0.471 0.000 0.948 70 D HN 0.680 nan 8.370 nan 0.000 0.460 71 A N 0.377 123.092 122.820 -0.175 0.000 1.908 71 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 71 A C 2.454 180.036 177.584 -0.004 0.000 1.181 71 A CA 2.003 54.032 52.037 -0.014 0.000 0.627 71 A CB -0.583 18.445 19.000 0.047 0.000 0.818 71 A HN 0.179 nan 8.150 nan 0.000 0.445 72 S N -0.561 115.113 115.700 -0.042 0.000 2.387 72 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 72 S C 1.799 176.427 174.600 0.046 0.000 1.026 72 S CA 1.118 59.327 58.200 0.015 0.000 0.972 72 S CB -0.422 62.769 63.200 -0.016 0.000 0.814 72 S HN 0.537 nan 8.310 nan 0.000 0.477 73 I N 0.489 121.006 120.570 -0.088 0.000 2.127 73 I HA -0.229 3.941 4.170 -0.000 0.000 0.241 73 I C 2.029 178.212 176.117 0.110 0.000 1.075 73 I CA 1.413 62.674 61.300 -0.066 0.000 1.334 73 I CB -0.454 37.404 38.000 -0.237 0.000 1.040 73 I HN 0.278 nan 8.210 nan 0.000 0.405 74 Y N 0.797 121.141 120.300 0.074 0.000 2.181 74 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 74 Y C 2.653 178.596 175.900 0.073 0.000 1.146 74 Y CA 0.765 58.901 58.100 0.059 0.000 1.164 74 Y CB -1.378 37.096 38.460 0.023 0.000 0.982 74 Y HN 0.127 nan 8.280 nan 0.000 0.515 75 A N -0.476 122.479 122.820 0.226 0.000 1.930 75 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 75 A C 2.189 179.864 177.584 0.152 0.000 1.175 75 A CA 1.268 53.393 52.037 0.147 0.000 0.627 75 A CB -1.318 17.752 19.000 0.117 0.000 0.815 75 A HN 0.434 nan 8.150 nan 0.000 0.443 76 F N 0.579 120.589 119.950 0.099 0.000 2.102 76 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 76 F C 1.949 177.846 175.800 0.162 0.000 1.105 76 F CA 1.865 59.971 58.000 0.176 0.000 1.239 76 F CB -0.201 38.871 39.000 0.119 0.000 0.991 76 F HN 0.144 nan 8.300 nan 0.000 0.474 77 L N -0.769 120.632 121.223 0.296 0.000 2.046 77 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 77 L C 2.529 179.421 176.870 0.036 0.000 1.077 77 L CA 1.440 56.389 54.840 0.181 0.000 0.747 77 L CB -0.962 41.223 42.059 0.210 0.000 0.896 77 L HN 0.066 nan 8.230 nan 0.000 0.432 78 S N -0.309 115.411 115.700 0.033 0.000 2.370 78 S HA -0.252 4.218 4.470 -0.000 0.000 0.226 78 S C 1.932 176.457 174.600 -0.124 0.000 1.033 78 S CA 1.755 59.938 58.200 -0.029 0.000 1.011 78 S CB -0.279 62.913 63.200 -0.015 0.000 0.852 78 S HN 0.364 nan 8.310 nan 0.000 0.457 79 M N 1.318 120.787 119.600 -0.219 0.000 2.175 79 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 79 M C 1.968 177.922 176.300 -0.578 0.000 1.063 79 M CA 1.348 56.361 55.300 -0.480 0.000 1.119 79 M CB -0.128 32.025 32.600 -0.746 0.000 1.377 79 M HN 0.248 nan 8.290 nan 0.000 0.415 80 E N -0.027 119.939 120.200 -0.389 0.000 2.038 80 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 80 E C 2.020 178.535 176.600 -0.143 0.000 1.000 80 E CA 1.869 58.141 56.400 -0.214 0.000 0.803 80 E CB -0.221 29.435 29.700 -0.073 0.000 0.750 80 E HN 0.676 nan 8.360 nan 0.000 0.448 81 Q N 0.089 119.833 119.800 -0.095 0.000 2.061 81 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 81 Q C 2.207 178.175 176.000 -0.052 0.000 0.984 81 Q CA 1.519 57.295 55.803 -0.045 0.000 0.846 81 Q CB -0.222 28.504 28.738 -0.021 0.000 0.902 81 Q HN 0.238 nan 8.270 nan 0.000 0.421 82 A N 0.605 123.368 122.820 -0.095 0.000 1.933 82 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 82 A C 2.026 179.581 177.584 -0.048 0.000 1.175 82 A CA 1.073 53.076 52.037 -0.056 0.000 0.628 82 A CB -0.530 18.433 19.000 -0.062 0.000 0.814 82 A HN 0.301 nan 8.150 nan 0.000 0.444 83 I N -0.363 120.107 120.570 -0.167 0.000 2.202 83 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 83 I C 2.987 179.075 176.117 -0.048 0.000 1.091 83 I CA 0.975 62.172 61.300 -0.171 0.000 1.368 83 I CB -0.303 37.444 38.000 -0.422 0.000 1.058 83 I HN 0.352 nan 8.210 nan 0.000 0.410 84 A N 0.393 123.194 122.820 -0.032 0.000 1.865 84 A HA -0.340 3.980 4.320 -0.000 0.000 0.217 84 A C 2.021 179.627 177.584 0.036 0.000 1.191 84 A CA 2.512 54.558 52.037 0.016 0.000 0.623 84 A CB -0.938 18.072 19.000 0.017 0.000 0.826 84 A HN 0.428 nan 8.150 nan 0.000 0.444 85 D N -0.414 120.014 120.400 0.047 0.000 2.158 85 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 85 D C 1.870 178.237 176.300 0.113 0.000 0.995 85 D CA 1.628 55.685 54.000 0.096 0.000 0.846 85 D CB -0.179 40.703 40.800 0.138 0.000 0.941 85 D HN 0.381 nan 8.370 nan 0.000 0.456 86 A N -0.820 122.054 122.820 0.090 0.000 2.167 86 A HA 0.369 4.689 4.320 -0.000 0.000 0.214 86 A C 1.713 179.338 177.584 0.068 0.000 1.151 86 A CA 1.056 53.144 52.037 0.084 0.000 0.735 86 A CB -0.525 18.508 19.000 0.055 0.000 0.802 86 A HN 0.433 nan 8.150 nan 0.000 0.467 87 G N -0.721 108.116 108.800 0.062 0.000 2.272 87 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.280 87 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.280 87 G C -0.140 174.808 174.900 0.080 0.000 1.067 87 G CA 0.320 45.456 45.100 0.059 0.000 0.902 87 G HN 0.462 nan 8.290 nan 0.000 0.500 88 L N 1.710 122.993 121.223 0.101 0.000 2.257 88 L HA 0.476 4.816 4.340 -0.000 0.000 0.290 88 L C 1.220 178.235 176.870 0.242 0.000 1.044 88 L CA -0.358 54.587 54.840 0.175 0.000 0.810 88 L CB 1.436 43.601 42.059 0.177 0.000 1.193 88 L HN 0.452 nan 8.230 nan 0.000 0.425 89 S N 2.813 118.639 115.700 0.209 0.000 2.580 89 S HA 0.269 4.738 4.470 -0.000 0.000 0.274 89 S C -1.830 172.885 174.600 0.191 0.000 1.329 89 S CA -1.192 57.111 58.200 0.171 0.000 1.036 89 S CB 1.062 64.315 63.200 0.088 0.000 0.919 89 S HN 0.382 nan 8.310 nan 0.000 0.515 90 P HA -0.154 nan 4.420 nan 0.000 0.217 90 P C 0.836 177.987 177.300 -0.248 0.000 1.151 90 P CA 1.405 64.386 63.100 -0.198 0.000 0.849 90 P CB -0.028 31.615 31.700 -0.094 0.000 0.787 91 E N -1.107 119.043 120.200 -0.084 0.000 2.347 91 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 91 E C 1.992 178.576 176.600 -0.027 0.000 1.008 91 E CA 1.015 57.377 56.400 -0.064 0.000 0.852 91 E CB -0.848 28.837 29.700 -0.025 0.000 0.783 91 E HN 0.215 nan 8.360 nan 0.000 0.505 92 A N 0.148 122.989 122.820 0.035 0.000 1.903 92 A HA -0.086 4.234 4.320 -0.000 0.000 0.213 92 A C 1.914 179.596 177.584 0.164 0.000 1.185 92 A CA 1.261 53.368 52.037 0.116 0.000 0.628 92 A CB -0.455 18.650 19.000 0.176 0.000 0.830 92 A HN 0.481 nan 8.150 nan 0.000 0.446 93 Y N -1.203 119.149 120.300 0.087 0.000 2.498 93 Y HA 0.430 4.980 4.550 -0.000 0.000 0.259 93 Y C 0.846 176.791 175.900 0.076 0.000 1.086 93 Y CA -0.513 57.658 58.100 0.118 0.000 1.287 93 Y CB -0.213 38.390 38.460 0.239 0.000 1.146 93 Y HN 0.196 nan 8.280 nan 0.000 0.523 94 Q N 1.876 121.366 119.800 -0.517 0.000 2.306 94 Q HA 0.143 4.483 4.340 -0.000 0.000 0.241 94 Q C -0.229 175.585 176.000 -0.310 0.000 0.948 94 Q CA -0.363 55.181 55.803 -0.433 0.000 0.886 94 Q CB 0.349 28.766 28.738 -0.535 0.000 1.227 94 Q HN 0.362 nan 8.270 nan 0.000 0.457 95 N N 1.897 120.319 118.700 -0.464 0.000 2.707 95 N HA -0.210 4.530 4.740 -0.000 0.000 0.253 95 N C -1.207 174.009 175.510 -0.491 0.000 0.998 95 N CA 0.840 53.359 53.050 -0.885 0.000 0.751 95 N CB -1.147 37.054 38.487 -0.477 0.000 0.920 95 N HN 0.548 nan 8.380 nan 0.000 0.539 96 N N -0.205 118.346 118.700 -0.248 0.000 2.448 96 N HA 0.347 5.087 4.740 -0.000 0.000 0.279 96 N C -2.089 173.472 175.510 0.086 0.000 1.025 96 N CA -1.920 51.117 53.050 -0.023 0.000 0.898 96 N CB 1.715 40.206 38.487 0.008 0.000 1.303 96 N HN -0.208 nan 8.380 nan 0.000 0.495 97 P HA 0.011 nan 4.420 nan 0.000 0.225 97 P C 0.542 177.884 177.300 0.071 0.000 1.148 97 P CA 0.923 64.099 63.100 0.126 0.000 0.779 97 P CB 0.351 32.109 31.700 0.097 0.000 0.780 98 R N -0.890 119.635 120.500 0.043 0.000 2.356 98 R HA 0.213 4.553 4.340 -0.000 0.000 0.234 98 R C -0.206 176.074 176.300 -0.033 0.000 0.929 98 R CA 0.122 56.222 56.100 -0.001 0.000 1.084 98 R CB 0.182 30.472 30.300 -0.017 0.000 1.105 98 R HN 0.131 nan 8.270 nan 0.000 0.515 99 V N 0.385 120.308 119.914 0.016 0.000 2.444 99 V HA 0.592 4.712 4.120 -0.000 0.000 0.294 99 V C 0.390 176.530 176.094 0.077 0.000 1.022 99 V CA -0.779 61.534 62.300 0.022 0.000 0.850 99 V CB 1.735 33.621 31.823 0.105 0.000 0.992 99 V HN 0.303 nan 8.190 nan 0.000 0.426 100 G N 3.754 112.571 108.800 0.029 0.000 3.042 100 G HA2 0.807 4.767 3.960 -0.000 0.000 0.278 100 G HA3 0.807 4.767 3.960 -0.000 0.000 0.278 100 G C -1.699 173.251 174.900 0.083 0.000 1.371 100 G CA -0.643 44.479 45.100 0.037 0.000 1.009 100 G HN 0.551 nan 8.290 nan 0.000 0.523 101 L N 0.234 121.460 121.223 0.005 0.000 2.505 101 L HA 0.621 4.961 4.340 -0.000 0.000 0.266 101 L C -1.604 175.182 176.870 -0.140 0.000 0.954 101 L CA -0.551 54.297 54.840 0.013 0.000 0.852 101 L CB 1.504 43.599 42.059 0.059 0.000 1.282 101 L HN 0.524 nan 8.230 nan 0.000 0.403 102 I N 4.969 125.456 120.570 -0.139 0.000 2.476 102 I HA 0.651 4.821 4.170 -0.000 0.000 0.281 102 I C -0.377 175.700 176.117 -0.066 0.000 1.040 102 I CA -0.278 60.901 61.300 -0.200 0.000 1.094 102 I CB 1.827 39.673 38.000 -0.256 0.000 1.219 102 I HN 0.726 nan 8.210 nan 0.000 0.450 103 A N 4.285 127.093 122.820 -0.020 0.000 2.517 103 A HA 0.934 5.254 4.320 -0.000 0.000 0.297 103 A C -0.621 176.993 177.584 0.050 0.000 1.050 103 A CA -0.390 51.657 52.037 0.017 0.000 0.694 103 A CB 1.758 20.767 19.000 0.016 0.000 1.277 103 A HN 0.743 nan 8.150 nan 0.000 0.400 104 G N -0.079 108.758 108.800 0.062 0.000 2.975 104 G HA2 0.868 4.828 3.960 -0.000 0.000 0.291 104 G HA3 0.868 4.828 3.960 -0.000 0.000 0.291 104 G C -0.492 174.455 174.900 0.078 0.000 1.334 104 G CA 0.078 45.226 45.100 0.079 0.000 0.843 104 G HN 1.958 nan 8.290 nan 0.000 0.548 105 S N -2.145 113.606 115.700 0.085 0.000 2.579 105 S HA 0.624 5.094 4.470 -0.000 0.000 0.272 105 S C 0.960 175.619 174.600 0.098 0.000 1.141 105 S CA 0.328 58.580 58.200 0.086 0.000 0.843 105 S CB 1.445 64.695 63.200 0.083 0.000 1.122 105 S HN 1.475 nan 8.310 nan 0.000 0.468 106 G N 0.485 109.346 108.800 0.102 0.000 2.394 106 G HA2 0.265 4.224 3.960 -0.000 0.000 0.215 106 G HA3 0.265 4.224 3.960 -0.000 0.000 0.215 106 G C 0.951 175.932 174.900 0.134 0.000 1.165 106 G CA 0.611 45.787 45.100 0.126 0.000 0.784 106 G HN 1.265 nan 8.290 nan 0.000 0.535 107 G N -1.353 107.521 108.800 0.123 0.000 3.079 107 G HA2 0.456 4.416 3.960 -0.000 0.000 0.233 107 G HA3 0.456 4.416 3.960 -0.000 0.000 0.233 107 G C 1.067 176.023 174.900 0.094 0.000 1.062 107 G CA 0.902 46.073 45.100 0.118 0.000 0.809 107 G HN 1.191 nan 8.290 nan 0.000 0.535 108 G N 0.322 109.176 108.800 0.090 0.000 2.557 108 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.292 108 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.292 108 G C 0.374 175.326 174.900 0.087 0.000 1.162 108 G CA 0.664 45.813 45.100 0.082 0.000 0.964 108 G HN 1.365 nan 8.290 nan 0.000 0.541 109 S N 1.732 117.493 115.700 0.101 0.000 2.389 109 S HA 0.647 5.116 4.470 -0.000 0.000 0.201 109 S C -1.140 173.527 174.600 0.113 0.000 1.422 109 S CA -0.040 58.241 58.200 0.134 0.000 1.216 109 S CB 1.655 64.990 63.200 0.224 0.000 1.130 109 S HN 0.283 nan 8.310 nan 0.000 0.465 110 P HA -0.165 nan 4.420 nan 0.000 0.217 110 P C 1.481 178.747 177.300 -0.057 0.000 1.151 110 P CA 0.918 64.014 63.100 -0.006 0.000 0.849 110 P CB 0.129 31.806 31.700 -0.040 0.000 0.787 111 R N -1.097 119.356 120.500 -0.079 0.000 2.073 111 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 111 R C 1.946 178.119 176.300 -0.211 0.000 1.134 111 R CA 1.609 57.582 56.100 -0.211 0.000 0.952 111 R CB -0.916 29.228 30.300 -0.259 0.000 0.850 111 R HN 0.090 nan 8.270 nan 0.000 0.433 112 F N 1.041 121.009 119.950 0.030 0.000 2.325 112 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 112 F C 2.422 178.316 175.800 0.156 0.000 1.090 112 F CA 1.005 59.073 58.000 0.112 0.000 1.392 112 F CB -0.096 38.935 39.000 0.050 0.000 1.053 112 F HN 0.116 nan 8.300 nan 0.000 0.521 113 Q N -0.180 119.745 119.800 0.209 0.000 2.050 113 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 113 Q C 2.379 178.435 176.000 0.094 0.000 0.980 113 Q CA 1.788 57.673 55.803 0.135 0.000 0.840 113 Q CB -0.486 28.300 28.738 0.081 0.000 0.898 113 Q HN 0.265 nan 8.270 nan 0.000 0.424 114 V N 0.593 120.535 119.914 0.046 0.000 2.427 114 V HA -0.226 3.893 4.120 -0.000 0.000 0.248 114 V C 1.893 178.012 176.094 0.042 0.000 1.051 114 V CA 1.643 63.951 62.300 0.014 0.000 1.048 114 V CB -0.608 31.180 31.823 -0.058 0.000 0.666 114 V HN 0.335 nan 8.190 nan 0.000 0.456 115 F N 2.205 122.109 119.950 -0.077 0.000 2.102 115 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 115 F C 2.193 178.004 175.800 0.018 0.000 1.105 115 F CA 1.746 59.705 58.000 -0.069 0.000 1.239 115 F CB -0.921 37.968 39.000 -0.185 0.000 0.991 115 F HN 0.130 nan 8.300 nan 0.000 0.474 116 G N 0.014 108.837 108.800 0.039 0.000 2.491 116 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 116 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 116 G C 1.807 176.622 174.900 -0.141 0.000 1.180 116 G CA 1.088 46.156 45.100 -0.053 0.000 0.774 116 G HN 0.651 nan 8.290 nan 0.000 0.562 117 A N 0.535 123.313 122.820 -0.070 0.000 1.969 117 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 117 A C 2.102 179.629 177.584 -0.094 0.000 1.169 117 A CA 2.050 54.052 52.037 -0.059 0.000 0.635 117 A CB -0.300 18.690 19.000 -0.017 0.000 0.810 117 A HN 0.285 nan 8.150 nan 0.000 0.445 118 D N 0.154 120.475 120.400 -0.131 0.000 2.097 118 D HA -0.012 4.628 4.640 -0.000 0.000 0.197 118 D C 2.292 178.472 176.300 -0.199 0.000 0.984 118 D CA 1.556 55.479 54.000 -0.128 0.000 0.826 118 D CB -0.454 40.289 40.800 -0.094 0.000 0.973 118 D HN 0.380 nan 8.370 nan 0.000 0.460 119 A N 0.652 123.241 122.820 -0.386 0.000 1.902 119 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 119 A C 2.144 179.607 177.584 -0.202 0.000 1.181 119 A CA 1.786 53.591 52.037 -0.387 0.000 0.623 119 A CB -0.577 18.008 19.000 -0.692 0.000 0.818 119 A HN 0.169 nan 8.150 nan 0.000 0.443 120 M N -0.117 119.381 119.600 -0.169 0.000 2.202 120 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 120 M C 1.800 178.060 176.300 -0.066 0.000 1.063 120 M CA 1.534 56.779 55.300 -0.092 0.000 1.097 120 M CB -0.405 32.155 32.600 -0.066 0.000 1.382 120 M HN 0.367 nan 8.290 nan 0.000 0.413 121 R N -0.362 120.097 120.500 -0.069 0.000 2.310 121 R HA 0.234 4.574 4.340 -0.000 0.000 0.202 121 R C 1.003 177.280 176.300 -0.039 0.000 0.933 121 R CA 0.296 56.370 56.100 -0.044 0.000 1.054 121 R CB -0.164 30.115 30.300 -0.035 0.000 0.985 121 R HN 0.461 nan 8.270 nan 0.000 0.489 122 G N 0.739 109.509 108.800 -0.051 0.000 2.642 122 G HA2 0.190 4.150 3.960 -0.000 0.000 0.291 122 G HA3 0.190 4.150 3.960 -0.000 0.000 0.291 122 G C -1.713 173.170 174.900 -0.028 0.000 1.345 122 G CA -0.905 44.172 45.100 -0.037 0.000 1.043 122 G HN -0.117 nan 8.290 nan 0.000 0.528 123 P HA 0.010 nan 4.420 nan 0.000 0.229 123 P C 0.984 178.278 177.300 -0.010 0.000 1.160 123 P CA 0.650 63.743 63.100 -0.011 0.000 0.777 123 P CB 0.392 32.089 31.700 -0.005 0.000 0.814 124 R N -0.807 119.685 120.500 -0.014 0.000 2.362 124 R HA 0.248 4.588 4.340 -0.000 0.000 0.227 124 R C 1.694 177.984 176.300 -0.016 0.000 0.905 124 R CA 0.422 56.517 56.100 -0.009 0.000 1.067 124 R CB -0.253 30.048 30.300 0.002 0.000 1.078 124 R HN 0.112 nan 8.270 nan 0.000 0.516 125 G N 2.346 111.129 108.800 -0.029 0.000 2.698 125 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.337 125 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.337 125 G C 0.892 175.771 174.900 -0.034 0.000 1.286 125 G CA 0.774 45.853 45.100 -0.034 0.000 1.000 125 G HN 0.229 nan 8.290 nan 0.000 0.547 126 L N 0.115 121.325 121.223 -0.021 0.000 2.127 126 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 126 L C 2.963 179.831 176.870 -0.003 0.000 1.089 126 L CA 2.004 56.836 54.840 -0.014 0.000 0.757 126 L CB -0.417 41.636 42.059 -0.010 0.000 0.899 126 L HN 0.328 nan 8.230 nan 0.000 0.434 127 K N 0.262 120.661 120.400 -0.000 0.000 2.148 127 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 127 K C 2.150 178.772 176.600 0.036 0.000 1.050 127 K CA 1.256 57.551 56.287 0.013 0.000 0.942 127 K CB -0.623 31.884 32.500 0.011 0.000 0.724 127 K HN 0.251 nan 8.250 nan 0.000 0.446 128 A N 0.473 123.305 122.820 0.020 0.000 1.873 128 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 128 A C 2.327 179.944 177.584 0.055 0.000 1.186 128 A CA 1.523 53.578 52.037 0.030 0.000 0.616 128 A CB -0.763 18.211 19.000 -0.043 0.000 0.823 128 A HN 0.030 nan 8.150 nan 0.000 0.442 129 V N -0.459 119.446 119.914 -0.015 0.000 2.287 129 V HA 0.112 4.232 4.120 -0.000 0.000 0.248 129 V C 1.688 177.913 176.094 0.219 0.000 1.053 129 V CA 1.314 63.637 62.300 0.038 0.000 1.027 129 V CB -2.074 29.748 31.823 -0.001 0.000 0.646 129 V HN 1.394 nan 8.190 nan 0.000 0.447 130 G N 0.247 109.118 108.800 0.117 0.000 2.795 130 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.664 130 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.664 130 G C -1.686 173.197 174.900 -0.028 0.000 1.381 130 G CA -0.087 45.060 45.100 0.078 0.000 0.853 130 G HN 0.346 nan 8.290 nan 0.000 0.545 131 P HA 0.250 nan 4.420 nan 0.000 0.262 131 P C 0.236 177.273 177.300 -0.439 0.000 1.304 131 P CA 0.641 63.511 63.100 -0.383 0.000 0.859 131 P CB 0.058 31.431 31.700 -0.545 0.000 1.310 132 Y N -1.542 118.776 120.300 0.029 0.000 2.481 132 Y HA 0.124 4.674 4.550 -0.000 0.000 0.247 132 Y C 2.201 178.105 175.900 0.007 0.000 1.151 132 Y CA -0.137 57.964 58.100 0.001 0.000 1.238 132 Y CB -0.316 38.044 38.460 -0.167 0.000 1.179 132 Y HN -0.282 nan 8.280 nan 0.000 0.524 133 V N -1.113 118.901 119.914 0.167 0.000 2.515 133 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 133 V C 2.085 178.254 176.094 0.124 0.000 1.058 133 V CA 1.509 63.914 62.300 0.175 0.000 1.064 133 V CB -0.645 31.349 31.823 0.285 0.000 0.675 133 V HN 0.223 nan 8.190 nan 0.000 0.461 134 V N 1.172 121.151 119.914 0.108 0.000 2.287 134 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 134 V C 2.785 178.923 176.094 0.074 0.000 1.053 134 V CA 2.629 64.980 62.300 0.084 0.000 1.027 134 V CB -1.409 30.453 31.823 0.065 0.000 0.646 134 V HN 0.807 nan 8.190 nan 0.000 0.447 135 T N -1.858 112.754 114.554 0.096 0.000 2.962 135 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 135 T C 1.706 176.418 174.700 0.020 0.000 1.088 135 T CA 1.198 63.341 62.100 0.073 0.000 1.127 135 T CB -0.244 68.705 68.868 0.135 0.000 0.883 135 T HN 0.494 nan 8.240 nan 0.000 0.493 136 K N 1.155 121.535 120.400 -0.033 0.000 2.098 136 K HA 0.332 4.652 4.320 -0.000 0.000 0.203 136 K C 2.625 179.216 176.600 -0.014 0.000 1.051 136 K CA 0.982 57.173 56.287 -0.160 0.000 0.957 136 K CB -0.132 32.029 32.500 -0.565 0.000 0.738 136 K HN 0.412 nan 8.250 nan 0.000 0.447 137 A N 1.795 124.652 122.820 0.062 0.000 2.095 137 A HA 0.106 4.426 4.320 -0.000 0.000 0.212 137 A C 1.238 178.872 177.584 0.082 0.000 1.162 137 A CA -0.137 51.968 52.037 0.113 0.000 0.753 137 A CB -0.304 18.788 19.000 0.153 0.000 0.840 137 A HN 0.303 nan 8.150 nan 0.000 0.468 138 M N -1.863 117.776 119.600 0.064 0.000 2.226 138 M HA 0.573 5.053 4.480 -0.000 0.000 0.324 138 M C 0.963 177.297 176.300 0.057 0.000 1.112 138 M CA 0.340 55.674 55.300 0.056 0.000 1.176 138 M CB 0.720 33.348 32.600 0.047 0.000 1.430 138 M HN 0.020 nan 8.290 nan 0.000 0.462 139 A N 1.529 124.383 122.820 0.056 0.000 1.972 139 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 139 A C 2.029 179.652 177.584 0.065 0.000 1.169 139 A CA 1.961 54.035 52.037 0.062 0.000 0.635 139 A CB -1.030 18.005 19.000 0.058 0.000 0.810 139 A HN 1.003 nan 8.150 nan 0.000 0.446 140 S N -0.824 114.913 115.700 0.061 0.000 2.634 140 S HA 0.284 4.754 4.470 -0.000 0.000 0.221 140 S C 1.665 176.298 174.600 0.055 0.000 0.952 140 S CA 0.590 58.830 58.200 0.067 0.000 0.930 140 S CB -0.380 62.862 63.200 0.071 0.000 0.780 140 S HN 0.593 nan 8.310 nan 0.000 0.498 141 G N 2.330 111.159 108.800 0.047 0.000 2.513 141 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 141 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 141 G C 1.317 176.240 174.900 0.038 0.000 1.160 141 G CA 1.321 46.441 45.100 0.033 0.000 0.767 141 G HN 0.482 nan 8.290 nan 0.000 0.571 142 V N 1.771 121.715 119.914 0.051 0.000 2.287 142 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 142 V C 3.285 179.421 176.094 0.070 0.000 1.053 142 V CA 2.548 64.886 62.300 0.063 0.000 1.027 142 V CB -0.602 31.261 31.823 0.067 0.000 0.646 142 V HN 0.650 nan 8.190 nan 0.000 0.447 143 S N 0.761 116.499 115.700 0.063 0.000 2.387 143 S HA -0.059 4.411 4.470 -0.000 0.000 0.226 143 S C 2.097 176.732 174.600 0.058 0.000 1.026 143 S CA 1.133 59.368 58.200 0.058 0.000 0.972 143 S CB -0.440 62.791 63.200 0.050 0.000 0.814 143 S HN 0.550 nan 8.310 nan 0.000 0.477 144 A N 0.915 123.760 122.820 0.042 0.000 1.898 144 A HA -0.034 4.285 4.320 -0.000 0.000 0.216 144 A C 2.406 179.989 177.584 -0.002 0.000 1.181 144 A CA 1.439 53.482 52.037 0.011 0.000 0.620 144 A CB -1.458 17.536 19.000 -0.010 0.000 0.819 144 A HN 0.687 nan 8.150 nan 0.000 0.442 145 C N -1.138 118.174 119.300 0.019 0.000 2.456 145 C HA 0.102 4.562 4.460 -0.000 0.000 0.279 145 C C 2.311 177.365 174.990 0.106 0.000 1.427 145 C CA 0.755 59.786 59.018 0.021 0.000 1.778 145 C CB -1.227 26.527 27.740 0.023 0.000 1.842 145 C HN 0.528 nan 8.230 nan 0.000 0.531 146 L N 0.380 121.708 121.223 0.176 0.000 2.362 146 L HA 0.254 4.594 4.340 -0.000 0.000 0.204 146 L C 2.649 179.697 176.870 0.297 0.000 1.060 146 L CA 1.536 56.577 54.840 0.336 0.000 0.827 146 L CB -1.292 40.956 42.059 0.315 0.000 1.027 146 L HN 0.155 nan 8.230 nan 0.000 0.474 147 A N -0.723 122.199 122.820 0.170 0.000 1.948 147 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 147 A C 2.331 179.997 177.584 0.138 0.000 1.177 147 A CA 2.564 54.691 52.037 0.150 0.000 0.636 147 A CB -1.012 18.045 19.000 0.094 0.000 0.815 147 A HN 0.413 nan 8.150 nan 0.000 0.449 148 T N 0.235 114.833 114.554 0.072 0.000 2.639 148 T HA -0.067 4.283 4.350 -0.000 0.000 0.261 148 T C -0.054 174.664 174.700 0.031 0.000 1.053 148 T CA 1.695 63.810 62.100 0.026 0.000 1.158 148 T CB -1.070 67.761 68.868 -0.062 0.000 0.863 148 T HN 0.495 nan 8.240 nan 0.000 0.413 149 P HA -0.029 nan 4.420 nan 0.000 0.218 149 P C 0.813 178.036 177.300 -0.128 0.000 1.149 149 P CA 1.155 64.202 63.100 -0.089 0.000 0.817 149 P CB -0.263 31.358 31.700 -0.131 0.000 0.785 150 F N 0.388 120.408 119.950 0.117 0.000 2.804 150 F HA 0.186 4.713 4.527 -0.000 0.000 0.303 150 F C 1.022 176.881 175.800 0.098 0.000 1.154 150 F CA 0.020 58.094 58.000 0.123 0.000 1.401 150 F CB -0.795 38.218 39.000 0.021 0.000 1.106 150 F HN -0.145 nan 8.300 nan 0.000 0.568 151 K N 0.589 121.089 120.400 0.168 0.000 3.148 151 K HA -0.196 4.123 4.320 -0.000 0.000 0.267 151 K C -0.472 176.197 176.600 0.114 0.000 0.996 151 K CA 0.025 56.367 56.287 0.091 0.000 0.737 151 K CB -1.786 30.694 32.500 -0.033 0.000 1.308 151 K HN 0.125 nan 8.250 nan 0.000 0.470 152 I N 1.050 121.749 120.570 0.216 0.000 2.496 152 I HA 0.022 4.192 4.170 -0.000 0.000 0.285 152 I C 1.793 178.107 176.117 0.329 0.000 1.080 152 I CA 0.395 61.837 61.300 0.235 0.000 1.404 152 I CB 0.660 38.788 38.000 0.212 0.000 1.403 152 I HN 0.285 nan 8.210 nan 0.000 0.539 153 H N 3.265 122.382 119.070 0.079 0.000 2.750 153 H HA 0.167 4.723 4.556 -0.000 0.000 0.263 153 H C 1.340 176.693 175.328 0.043 0.000 0.964 153 H CA 0.057 56.135 56.048 0.051 0.000 1.205 153 H CB 1.405 31.191 29.762 0.040 0.000 1.454 153 H HN 0.760 nan 8.280 nan 0.000 0.503 154 G N 1.074 109.970 108.800 0.160 0.000 2.666 154 G HA2 0.229 4.189 3.960 -0.000 0.000 0.207 154 G HA3 0.229 4.189 3.960 -0.000 0.000 0.207 154 G C 0.118 175.051 174.900 0.055 0.000 1.481 154 G CA 0.047 45.198 45.100 0.085 0.000 1.071 154 G HN 0.130 nan 8.290 nan 0.000 0.572 155 V N -0.603 119.321 119.914 0.017 0.000 2.788 155 V HA 0.404 4.524 4.120 -0.000 0.000 0.307 155 V C -0.245 175.796 176.094 -0.088 0.000 1.069 155 V CA -0.077 62.209 62.300 -0.023 0.000 1.173 155 V CB 0.989 32.763 31.823 -0.082 0.000 0.925 155 V HN 0.815 nan 8.190 nan 0.000 0.492 156 N N 3.745 122.398 118.700 -0.079 0.000 2.599 156 N HA 0.527 5.267 4.740 -0.000 0.000 0.283 156 N C -1.191 174.337 175.510 0.031 0.000 1.160 156 N CA -0.571 52.441 53.050 -0.062 0.000 0.869 156 N CB 1.222 39.729 38.487 0.033 0.000 1.448 156 N HN 1.002 nan 8.380 nan 0.000 0.535 157 Y N -0.920 119.402 120.300 0.038 0.000 2.818 157 Y HA 0.717 5.267 4.550 -0.000 0.000 0.341 157 Y C -1.169 174.752 175.900 0.036 0.000 1.283 157 Y CA -1.162 56.957 58.100 0.031 0.000 1.075 157 Y CB 0.385 38.859 38.460 0.024 0.000 1.370 157 Y HN 0.138 nan 8.280 nan 0.000 0.448 158 S N 1.003 116.887 115.700 0.307 0.000 2.532 158 S HA 0.765 5.235 4.470 -0.000 0.000 0.301 158 S C -0.875 173.871 174.600 0.243 0.000 1.083 158 S CA -0.733 57.589 58.200 0.202 0.000 1.025 158 S CB 1.110 64.388 63.200 0.131 0.000 1.056 158 S HN 0.522 nan 8.310 nan 0.000 0.494 159 I N 2.332 123.018 120.570 0.193 0.000 2.493 159 I HA 0.488 4.658 4.170 -0.000 0.000 0.298 159 I C -0.071 176.124 176.117 0.130 0.000 0.998 159 I CA -0.462 60.932 61.300 0.158 0.000 1.137 159 I CB 2.008 40.113 38.000 0.175 0.000 1.310 159 I HN 0.657 nan 8.210 nan 0.000 0.445 160 S N 2.338 118.103 115.700 0.109 0.000 2.521 160 S HA 0.706 5.176 4.470 -0.000 0.000 0.295 160 S C -0.268 174.405 174.600 0.122 0.000 1.098 160 S CA -0.491 57.779 58.200 0.116 0.000 0.999 160 S CB 1.754 65.014 63.200 0.100 0.000 1.034 160 S HN 0.704 nan 8.310 nan 0.000 0.483 161 S N 0.460 116.260 115.700 0.166 0.000 2.586 161 S HA 0.608 5.078 4.470 -0.000 0.000 0.218 161 S C 0.641 175.368 174.600 0.212 0.000 0.761 161 S CA -0.056 58.260 58.200 0.194 0.000 0.999 161 S CB -0.737 62.647 63.200 0.307 0.000 1.634 161 S HN 2.353 nan 8.310 nan 0.000 0.482 162 A N 0.870 123.808 122.820 0.197 0.000 5.382 162 A HA -0.350 3.970 4.320 -0.000 0.000 0.307 162 A C 1.746 179.449 177.584 0.197 0.000 1.937 162 A CA 1.292 53.466 52.037 0.228 0.000 0.715 162 A CB -2.332 16.861 19.000 0.322 0.000 1.293 162 A HN 1.547 nan 8.150 nan 0.000 0.374 163 C N 0.089 119.531 119.300 0.238 0.000 2.409 163 C HA 0.264 4.724 4.460 -0.000 0.000 0.284 163 C C 2.849 177.933 174.990 0.157 0.000 1.354 163 C CA 1.454 60.633 59.018 0.268 0.000 1.787 163 C CB -1.980 26.010 27.740 0.415 0.000 1.900 163 C HN 1.510 nan 8.230 nan 0.000 0.520 164 A N 0.121 123.016 122.820 0.125 0.000 2.308 164 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 164 A C 1.954 179.566 177.584 0.046 0.000 1.216 164 A CA 1.004 53.047 52.037 0.009 0.000 0.864 164 A CB -0.649 18.334 19.000 -0.027 0.000 0.902 164 A HN 0.473 nan 8.150 nan 0.000 0.499 165 T N 1.356 115.994 114.554 0.140 0.000 2.565 165 T HA -0.232 4.118 4.350 -0.000 0.000 0.265 165 T C 2.220 176.989 174.700 0.113 0.000 1.082 165 T CA 2.550 64.749 62.100 0.165 0.000 1.173 165 T CB -0.408 68.537 68.868 0.128 0.000 0.864 165 T HN 0.781 nan 8.240 nan 0.000 0.425 166 S N 1.130 116.858 115.700 0.047 0.000 2.527 166 S HA 0.332 4.802 4.470 -0.000 0.000 0.222 166 S C 2.223 176.800 174.600 -0.039 0.000 0.985 166 S CA 0.564 58.769 58.200 0.008 0.000 0.921 166 S CB -0.253 62.939 63.200 -0.013 0.000 0.772 166 S HN 0.521 nan 8.310 nan 0.000 0.529 167 A N 2.360 125.140 122.820 -0.067 0.000 1.897 167 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 167 A C 2.092 179.610 177.584 -0.110 0.000 1.181 167 A CA 1.152 53.115 52.037 -0.124 0.000 0.620 167 A CB -0.935 17.964 19.000 -0.168 0.000 0.821 167 A HN 0.607 nan 8.150 nan 0.000 0.443 168 H N -0.824 118.279 119.070 0.055 0.000 2.421 168 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 168 H C 2.358 177.674 175.328 -0.020 0.000 1.087 168 H CA 1.288 57.385 56.048 0.082 0.000 1.330 168 H CB -0.582 29.267 29.762 0.146 0.000 1.388 168 H HN 0.530 nan 8.280 nan 0.000 0.526 169 C N 0.625 119.982 119.300 0.095 0.000 2.432 169 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 169 C C 3.001 177.945 174.990 -0.077 0.000 1.249 169 C CA 0.577 59.609 59.018 0.024 0.000 1.725 169 C CB -1.056 26.695 27.740 0.018 0.000 2.028 169 C HN 0.428 nan 8.230 nan 0.000 0.477 170 I N 1.020 121.513 120.570 -0.129 0.000 2.179 170 I HA -0.114 4.056 4.170 -0.000 0.000 0.242 170 I C 2.744 178.659 176.117 -0.336 0.000 1.088 170 I CA 1.834 63.016 61.300 -0.197 0.000 1.357 170 I CB -0.986 36.904 38.000 -0.182 0.000 1.051 170 I HN 0.446 nan 8.210 nan 0.000 0.409 171 G N 0.424 108.857 108.800 -0.613 0.000 2.440 171 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.218 171 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.218 171 G C 1.450 175.990 174.900 -0.601 0.000 1.154 171 G CA 1.002 45.311 45.100 -1.318 0.000 0.767 171 G HN 0.434 nan 8.290 nan 0.000 0.552 172 N N 0.763 119.324 118.700 -0.232 0.000 2.166 172 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 172 N C 2.592 178.075 175.510 -0.044 0.000 1.019 172 N CA 0.984 54.028 53.050 -0.009 0.000 0.856 172 N CB -0.122 38.430 38.487 0.109 0.000 0.993 172 N HN 0.271 nan 8.380 nan 0.000 0.426 173 A N 0.942 123.697 122.820 -0.107 0.000 1.883 173 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 173 A C 2.416 179.936 177.584 -0.107 0.000 1.186 173 A CA 1.511 53.478 52.037 -0.117 0.000 0.624 173 A CB -0.976 17.938 19.000 -0.144 0.000 0.822 173 A HN 0.186 nan 8.150 nan 0.000 0.444 174 V N 0.259 120.093 119.914 -0.133 0.000 2.282 174 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 174 V C 2.403 178.479 176.094 -0.030 0.000 1.057 174 V CA 2.479 64.726 62.300 -0.089 0.000 1.032 174 V CB -1.035 30.728 31.823 -0.100 0.000 0.645 174 V HN 0.670 nan 8.190 nan 0.000 0.447 175 E N -0.555 119.645 120.200 0.000 0.000 2.118 175 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 175 E C 2.379 178.995 176.600 0.027 0.000 0.992 175 E CA 1.183 57.612 56.400 0.049 0.000 0.804 175 E CB -0.180 29.578 29.700 0.096 0.000 0.741 175 E HN 0.573 nan 8.360 nan 0.000 0.458 176 Q N 0.165 119.969 119.800 0.006 0.000 2.119 176 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 176 Q C 2.262 178.251 176.000 -0.019 0.000 0.972 176 Q CA 0.991 56.793 55.803 -0.001 0.000 0.847 176 Q CB -0.162 28.563 28.738 -0.023 0.000 0.903 176 Q HN 0.289 nan 8.270 nan 0.000 0.433 177 I N 1.103 121.651 120.570 -0.037 0.000 2.202 177 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 177 I C 2.386 178.493 176.117 -0.016 0.000 1.091 177 I CA 1.300 62.575 61.300 -0.042 0.000 1.368 177 I CB -0.504 37.459 38.000 -0.061 0.000 1.058 177 I HN 0.192 nan 8.210 nan 0.000 0.410 178 Q N -0.154 119.645 119.800 -0.001 0.000 2.135 178 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 178 Q C 2.146 178.155 176.000 0.015 0.000 0.981 178 Q CA 1.327 57.138 55.803 0.013 0.000 0.856 178 Q CB -0.302 28.454 28.738 0.030 0.000 0.902 178 Q HN 0.470 nan 8.270 nan 0.000 0.425 179 L N -0.815 120.418 121.223 0.016 0.000 2.552 179 L HA 0.066 4.406 4.340 -0.000 0.000 0.227 179 L C 1.300 178.177 176.870 0.011 0.000 1.146 179 L CA 0.489 55.340 54.840 0.017 0.000 0.858 179 L CB -0.147 41.926 42.059 0.024 0.000 0.969 179 L HN 0.436 nan 8.230 nan 0.000 0.451 180 G N -0.026 108.776 108.800 0.003 0.000 2.162 180 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 180 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 180 G C 1.056 175.955 174.900 -0.002 0.000 0.976 180 G CA 0.691 45.791 45.100 -0.000 0.000 0.655 180 G HN 0.400 nan 8.290 nan 0.000 0.533 181 K N -0.839 119.561 120.400 -0.001 0.000 2.155 181 K HA 0.071 4.390 4.320 -0.000 0.000 0.203 181 K C 1.000 177.593 176.600 -0.012 0.000 1.052 181 K CA 0.933 57.221 56.287 0.002 0.000 0.948 181 K CB 0.003 32.512 32.500 0.015 0.000 0.728 181 K HN 0.405 nan 8.250 nan 0.000 0.448 182 Q N -0.191 119.587 119.800 -0.037 0.000 2.397 182 Q HA 0.138 4.478 4.340 -0.000 0.000 0.275 182 Q C -0.435 175.495 176.000 -0.117 0.000 1.090 182 Q CA -0.336 55.425 55.803 -0.070 0.000 0.809 182 Q CB 2.042 30.731 28.738 -0.081 0.000 1.362 182 Q HN -0.032 nan 8.270 nan 0.000 0.431 183 D N 0.342 120.631 120.400 -0.186 0.000 2.262 183 D HA 0.240 4.880 4.640 -0.000 0.000 0.212 183 D C 0.278 176.331 176.300 -0.411 0.000 0.964 183 D CA 0.875 54.671 54.000 -0.341 0.000 0.875 183 D CB 1.175 41.635 40.800 -0.568 0.000 0.996 183 D HN 0.373 nan 8.370 nan 0.000 0.497 184 I N 0.770 121.126 120.570 -0.356 0.000 2.619 184 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 184 I C -1.122 174.785 176.117 -0.350 0.000 1.100 184 I CA -0.783 60.280 61.300 -0.396 0.000 1.043 184 I CB 3.283 41.000 38.000 -0.472 0.000 1.239 184 I HN -0.409 nan 8.210 nan 0.000 0.420 185 V N 5.936 125.625 119.914 -0.375 0.000 2.525 185 V HA 0.390 4.510 4.120 -0.000 0.000 0.299 185 V C -0.565 175.301 176.094 -0.380 0.000 1.034 185 V CA -0.605 61.514 62.300 -0.301 0.000 0.863 185 V CB 1.651 33.363 31.823 -0.184 0.000 0.999 185 V HN 0.366 nan 8.190 nan 0.000 0.423 186 F N 3.347 123.201 119.950 -0.160 0.000 2.467 186 F HA 0.628 5.155 4.527 -0.000 0.000 0.362 186 F C 0.749 176.451 175.800 -0.162 0.000 1.090 186 F CA 0.103 57.990 58.000 -0.187 0.000 1.202 186 F CB 0.958 39.812 39.000 -0.244 0.000 1.113 186 F HN 0.572 nan 8.300 nan 0.000 0.541 187 A N 2.365 125.185 122.820 -0.000 0.000 2.422 187 A HA 0.902 5.222 4.320 -0.000 0.000 0.302 187 A C -0.114 177.443 177.584 -0.045 0.000 1.041 187 A CA 0.127 52.135 52.037 -0.047 0.000 0.708 187 A CB 1.435 20.378 19.000 -0.095 0.000 1.257 187 A HN 1.071 nan 8.150 nan 0.000 0.414 188 G N -0.089 108.690 108.800 -0.034 0.000 2.498 188 G HA2 0.781 4.741 3.960 -0.000 0.000 0.181 188 G HA3 0.781 4.741 3.960 -0.000 0.000 0.181 188 G C -0.142 174.755 174.900 -0.006 0.000 1.169 188 G CA 0.424 45.504 45.100 -0.034 0.000 0.992 188 G HN 2.349 nan 8.290 nan 0.000 0.490 189 G N -2.159 106.644 108.800 0.005 0.000 2.349 189 G HA2 0.788 4.748 3.960 -0.000 0.000 0.294 189 G HA3 0.788 4.748 3.960 -0.000 0.000 0.294 189 G C -0.612 174.320 174.900 0.054 0.000 1.380 189 G CA 0.603 45.723 45.100 0.034 0.000 0.811 189 G HN 2.044 nan 8.290 nan 0.000 0.519 190 G N -1.187 107.660 108.800 0.079 0.000 2.704 190 G HA2 0.677 4.637 3.960 -0.000 0.000 0.293 190 G HA3 0.677 4.637 3.960 -0.000 0.000 0.293 190 G C -1.932 173.042 174.900 0.124 0.000 1.421 190 G CA -0.349 44.825 45.100 0.123 0.000 0.870 190 G HN 0.679 nan 8.290 nan 0.000 0.492 191 E N -0.098 120.207 120.200 0.174 0.000 2.291 191 E HA 0.335 4.685 4.350 -0.000 0.000 0.276 191 E C -0.131 176.594 176.600 0.209 0.000 0.896 191 E CA -0.697 55.788 56.400 0.141 0.000 0.774 191 E CB 1.486 31.234 29.700 0.081 0.000 1.227 191 E HN 0.704 nan 8.360 nan 0.000 0.413 192 E N 3.354 123.642 120.200 0.146 0.000 2.392 192 E HA 0.306 4.656 4.350 -0.000 0.000 0.256 192 E C -0.793 175.879 176.600 0.120 0.000 1.145 192 E CA -0.710 55.777 56.400 0.144 0.000 0.929 192 E CB 0.969 30.707 29.700 0.065 0.000 0.998 192 E HN 0.253 nan 8.360 nan 0.000 0.442 193 L N 2.567 123.840 121.223 0.084 0.000 2.325 193 L HA 0.452 4.792 4.340 -0.000 0.000 0.281 193 L C -1.239 175.685 176.870 0.090 0.000 1.004 193 L CA -0.443 54.404 54.840 0.012 0.000 0.823 193 L CB 0.861 42.763 42.059 -0.261 0.000 1.236 193 L HN 0.916 nan 8.230 nan 0.000 0.415 194 C N 2.510 121.930 119.300 0.200 0.000 3.247 194 C HA 0.354 4.814 4.460 -0.000 0.000 0.375 194 C C 1.036 176.125 174.990 0.165 0.000 1.102 194 C CA -1.153 57.966 59.018 0.168 0.000 1.227 194 C CB 0.368 28.077 27.740 -0.052 0.000 1.586 194 C HN 1.058 nan 8.230 nan 0.000 0.544 195 W N 1.419 122.833 121.300 0.191 0.000 2.350 195 W HA -0.041 4.619 4.660 -0.000 0.000 0.289 195 W C 1.013 177.594 176.519 0.104 0.000 1.215 195 W CA 1.991 59.407 57.345 0.118 0.000 1.236 195 W CB -1.022 28.467 29.460 0.048 0.000 1.130 195 W HN 0.889 nan 8.180 nan 0.000 0.541 196 E N 0.749 120.317 120.200 -1.054 0.000 2.097 196 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 196 E C 2.359 178.780 176.600 -0.298 0.000 1.000 196 E CA 2.700 58.494 56.400 -1.011 0.000 0.804 196 E CB -0.678 28.481 29.700 -0.901 0.000 0.740 196 E HN 0.375 nan 8.360 nan 0.000 0.454 197 M N -0.568 118.958 119.600 -0.123 0.000 2.325 197 M HA 0.092 4.572 4.480 -0.000 0.000 0.265 197 M C 2.091 178.523 176.300 0.219 0.000 1.094 197 M CA 1.226 56.564 55.300 0.064 0.000 1.161 197 M CB 0.114 32.793 32.600 0.132 0.000 1.358 197 M HN 0.155 nan 8.290 nan 0.000 0.446 198 A N 0.339 123.307 122.820 0.246 0.000 1.940 198 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 198 A C 2.307 180.054 177.584 0.272 0.000 1.176 198 A CA 1.790 54.016 52.037 0.315 0.000 0.631 198 A CB -1.714 17.446 19.000 0.267 0.000 0.814 198 A HN 0.872 nan 8.150 nan 0.000 0.446 199 C N -0.842 118.597 119.300 0.232 0.000 2.432 199 C HA 0.009 4.469 4.460 -0.000 0.000 0.282 199 C C 2.115 177.175 174.990 0.116 0.000 1.388 199 C CA 0.937 60.072 59.018 0.195 0.000 1.777 199 C CB -1.431 26.477 27.740 0.281 0.000 1.882 199 C HN 0.648 nan 8.230 nan 0.000 0.520 200 E N 0.383 120.620 120.200 0.062 0.000 2.107 200 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 200 E C 1.769 178.279 176.600 -0.150 0.000 0.982 200 E CA 1.268 57.622 56.400 -0.076 0.000 0.809 200 E CB -0.277 29.310 29.700 -0.187 0.000 0.756 200 E HN 0.734 nan 8.360 nan 0.000 0.459 201 F N 1.354 121.310 119.950 0.010 0.000 2.146 201 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 201 F C 2.230 177.977 175.800 -0.089 0.000 1.096 201 F CA 1.212 59.185 58.000 -0.044 0.000 1.275 201 F CB -0.266 38.704 39.000 -0.051 0.000 1.008 201 F HN -0.014 nan 8.300 nan 0.000 0.480 202 D N 0.103 120.572 120.400 0.113 0.000 2.144 202 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 202 D C 2.228 178.544 176.300 0.027 0.000 0.984 202 D CA 1.241 55.261 54.000 0.033 0.000 0.834 202 D CB -0.263 40.561 40.800 0.040 0.000 0.955 202 D HN 0.170 nan 8.370 nan 0.000 0.465 203 A N 0.618 123.458 122.820 0.033 0.000 2.067 203 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 203 A C 2.196 179.791 177.584 0.017 0.000 1.158 203 A CA 1.592 53.643 52.037 0.023 0.000 0.661 203 A CB -0.754 18.260 19.000 0.023 0.000 0.801 203 A HN 0.507 nan 8.150 nan 0.000 0.452 204 M N -3.088 116.519 119.600 0.012 0.000 2.495 204 M HA 0.433 4.913 4.480 -0.000 0.000 0.237 204 M C 1.097 177.419 176.300 0.036 0.000 1.131 204 M CA 0.824 56.139 55.300 0.025 0.000 1.032 204 M CB 0.067 32.675 32.600 0.015 0.000 1.513 204 M HN 0.583 nan 8.290 nan 0.000 0.488 205 G N 0.595 109.409 108.800 0.023 0.000 2.136 205 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 205 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 205 G C 0.832 175.736 174.900 0.007 0.000 0.989 205 G CA 0.352 45.461 45.100 0.015 0.000 0.682 205 G HN 0.752 nan 8.290 nan 0.000 0.522 206 A N -0.805 122.014 122.820 -0.001 0.000 2.067 206 A HA 0.603 4.923 4.320 -0.000 0.000 0.217 206 A C 1.299 178.725 177.584 -0.262 0.000 1.156 206 A CA 0.856 52.881 52.037 -0.021 0.000 0.683 206 A CB 0.073 19.157 19.000 0.140 0.000 0.808 206 A HN 0.659 nan 8.150 nan 0.000 0.455 207 L N -0.075 120.959 121.223 -0.315 0.000 2.343 207 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 207 L C 0.699 177.460 176.870 -0.181 0.000 1.056 207 L CA -0.573 54.012 54.840 -0.425 0.000 0.804 207 L CB 1.565 43.413 42.059 -0.352 0.000 1.203 207 L HN 0.154 nan 8.230 nan 0.000 0.440 208 S N 0.254 115.878 115.700 -0.127 0.000 2.537 208 S HA 0.080 4.550 4.470 -0.000 0.000 0.286 208 S C 0.821 175.406 174.600 -0.025 0.000 1.299 208 S CA 0.159 58.359 58.200 0.000 0.000 1.067 208 S CB 0.341 63.582 63.200 0.068 0.000 0.864 208 S HN 0.821 nan 8.310 nan 0.000 0.494 209 T N 1.517 116.056 114.554 -0.025 0.000 3.016 209 T HA 0.347 4.697 4.350 -0.000 0.000 0.271 209 T C 0.877 175.497 174.700 -0.134 0.000 0.968 209 T CA -0.409 61.628 62.100 -0.106 0.000 0.891 209 T CB -0.047 68.751 68.868 -0.116 0.000 1.149 209 T HN 0.583 nan 8.240 nan 0.000 0.524 210 K N 0.084 120.394 120.400 -0.149 0.000 2.374 210 K HA 0.270 4.590 4.320 -0.000 0.000 0.196 210 K C -0.258 176.021 176.600 -0.535 0.000 1.023 210 K CA 0.248 56.305 56.287 -0.384 0.000 1.103 210 K CB 0.236 32.406 32.500 -0.550 0.000 0.848 210 K HN 0.418 nan 8.250 nan 0.000 0.528 211 Y N -0.292 119.994 120.300 -0.024 0.000 2.706 211 Y HA 0.200 4.750 4.550 -0.000 0.000 0.255 211 Y C 0.885 176.796 175.900 0.018 0.000 1.163 211 Y CA -0.633 57.466 58.100 -0.001 0.000 1.174 211 Y CB 0.161 38.626 38.460 0.009 0.000 1.200 211 Y HN -0.007 nan 8.280 nan 0.000 0.544 212 N N 0.661 119.414 118.700 0.089 0.000 2.223 212 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 212 N C 0.998 176.611 175.510 0.172 0.000 1.016 212 N CA 1.501 54.635 53.050 0.139 0.000 0.863 212 N CB 0.014 38.554 38.487 0.087 0.000 0.983 212 N HN 0.424 nan 8.380 nan 0.000 0.429 213 D N -0.252 120.204 120.400 0.094 0.000 2.269 213 D HA -0.036 4.604 4.640 -0.000 0.000 0.208 213 D C 0.431 176.771 176.300 0.067 0.000 0.963 213 D CA 0.893 54.923 54.000 0.050 0.000 0.864 213 D CB 0.005 40.813 40.800 0.014 0.000 0.936 213 D HN 0.325 nan 8.370 nan 0.000 0.505 214 T N -1.801 112.821 114.554 0.115 0.000 3.327 214 T HA 0.352 4.702 4.350 -0.000 0.000 0.373 214 T C -2.344 172.435 174.700 0.131 0.000 1.589 214 T CA -1.730 60.438 62.100 0.112 0.000 1.497 214 T CB 1.914 70.856 68.868 0.122 0.000 1.032 214 T HN -0.272 nan 8.240 nan 0.000 0.640 215 P HA -0.101 nan 4.420 nan 0.000 0.216 215 P C 1.332 178.686 177.300 0.090 0.000 1.150 215 P CA 1.097 64.281 63.100 0.139 0.000 0.837 215 P CB 0.171 31.974 31.700 0.172 0.000 0.786 216 E N -0.599 119.640 120.200 0.066 0.000 2.418 216 E HA -0.101 4.249 4.350 -0.000 0.000 0.197 216 E C 1.154 177.747 176.600 -0.012 0.000 1.026 216 E CA 0.632 57.050 56.400 0.030 0.000 0.862 216 E CB -0.141 29.574 29.700 0.026 0.000 0.799 216 E HN 0.252 nan 8.360 nan 0.000 0.518 217 K N -0.226 120.158 120.400 -0.027 0.000 2.358 217 K HA 0.202 4.522 4.320 -0.000 0.000 0.197 217 K C 1.466 177.881 176.600 -0.308 0.000 1.025 217 K CA 0.214 56.424 56.287 -0.127 0.000 1.104 217 K CB 0.602 33.051 32.500 -0.085 0.000 0.855 217 K HN 0.019 nan 8.250 nan 0.000 0.531 218 A N 1.035 123.756 122.820 -0.164 0.000 1.897 218 A HA -0.025 4.294 4.320 -0.000 0.000 0.215 218 A C 1.414 178.887 177.584 -0.185 0.000 1.181 218 A CA 0.898 52.831 52.037 -0.173 0.000 0.620 218 A CB -0.104 18.932 19.000 0.060 0.000 0.821 218 A HN 0.170 nan 8.150 nan 0.000 0.443 219 S N 0.574 116.213 115.700 -0.103 0.000 2.411 219 S HA 0.451 4.920 4.470 -0.000 0.000 0.294 219 S C 0.279 174.809 174.600 -0.117 0.000 1.115 219 S CA -0.633 57.523 58.200 -0.073 0.000 1.071 219 S CB -0.080 63.105 63.200 -0.026 0.000 0.967 219 S HN 0.505 nan 8.310 nan 0.000 0.488 220 R N 2.680 123.104 120.500 -0.127 0.000 2.533 220 R HA 0.160 4.499 4.340 -0.000 0.000 0.268 220 R C -0.850 175.381 176.300 -0.114 0.000 1.303 220 R CA -0.602 55.422 56.100 -0.126 0.000 1.429 220 R CB -1.037 29.162 30.300 -0.170 0.000 1.361 220 R HN 0.444 nan 8.270 nan 0.000 0.745 221 T N 2.316 116.758 114.554 -0.188 0.000 2.849 221 T HA -0.073 4.277 4.350 -0.000 0.000 0.289 221 T C -0.087 174.432 174.700 -0.302 0.000 1.010 221 T CA 1.096 62.974 62.100 -0.370 0.000 1.161 221 T CB -0.158 68.353 68.868 -0.595 0.000 0.989 221 T HN 0.510 nan 8.240 nan 0.000 0.523 222 Y N -1.026 119.273 120.300 -0.001 0.000 4.936 222 Y HA -0.207 4.343 4.550 -0.000 0.000 0.260 222 Y C 0.694 176.592 175.900 -0.004 0.000 0.928 222 Y CA 0.345 58.446 58.100 0.002 0.000 1.869 222 Y CB -2.337 36.125 38.460 0.002 0.000 1.344 222 Y HN 0.758 nan 8.280 nan 0.000 0.521 223 D N 0.548 121.006 120.400 0.097 0.000 2.389 223 D HA 0.557 5.197 4.640 -0.000 0.000 0.247 223 D C 1.296 177.608 176.300 0.019 0.000 1.128 223 D CA 0.794 54.828 54.000 0.058 0.000 0.884 223 D CB 1.282 42.104 40.800 0.038 0.000 1.194 223 D HN 0.274 nan 8.370 nan 0.000 0.441 224 A N 3.252 126.038 122.820 -0.056 0.000 2.076 224 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 224 A C 1.169 178.566 177.584 -0.311 0.000 1.160 224 A CA 1.456 53.366 52.037 -0.213 0.000 0.653 224 A CB -0.606 18.184 19.000 -0.349 0.000 0.801 224 A HN 0.803 nan 8.150 nan 0.000 0.455 225 H N -0.742 118.381 119.070 0.088 0.000 2.505 225 H HA 0.178 4.734 4.556 -0.000 0.000 0.286 225 H C 0.614 176.045 175.328 0.172 0.000 1.072 225 H CA -0.292 55.838 56.048 0.137 0.000 1.141 225 H CB 0.097 29.967 29.762 0.180 0.000 1.550 225 H HN 0.598 nan 8.280 nan 0.000 0.547 226 R N 1.574 122.164 120.500 0.150 0.000 2.734 226 R HA 0.010 4.350 4.340 -0.000 0.000 0.266 226 R C -0.412 175.988 176.300 0.167 0.000 1.044 226 R CA 0.518 56.686 56.100 0.114 0.000 1.128 226 R CB 0.469 30.798 30.300 0.048 0.000 1.010 226 R HN 0.266 nan 8.270 nan 0.000 0.461 227 D N 0.108 120.614 120.400 0.175 0.000 2.740 227 D HA 0.210 4.850 4.640 -0.000 0.000 0.305 227 D C 0.009 176.368 176.300 0.098 0.000 1.583 227 D CA 0.140 54.232 54.000 0.153 0.000 0.790 227 D CB 0.341 41.258 40.800 0.194 0.000 1.187 227 D HN 0.914 nan 8.370 nan 0.000 0.447 228 G N 0.417 109.269 108.800 0.087 0.000 2.357 228 G HA2 0.262 4.222 3.960 -0.000 0.000 0.643 228 G HA3 0.262 4.222 3.960 -0.000 0.000 0.643 228 G C -0.657 174.288 174.900 0.075 0.000 1.358 228 G CA -0.668 44.465 45.100 0.056 0.000 0.986 228 G HN 0.324 nan 8.290 nan 0.000 0.620 229 F N -0.427 119.531 119.950 0.014 0.000 2.370 229 F HA 0.816 5.343 4.527 -0.000 0.000 0.319 229 F C 0.191 175.993 175.800 0.004 0.000 1.129 229 F CA -1.399 56.598 58.000 -0.005 0.000 1.109 229 F CB 1.297 40.300 39.000 0.006 0.000 1.262 229 F HN 0.398 nan 8.300 nan 0.000 0.534 230 V N 4.326 124.407 119.914 0.277 0.000 2.357 230 V HA 0.276 4.396 4.120 -0.000 0.000 0.284 230 V C 0.202 176.489 176.094 0.321 0.000 1.018 230 V CA -0.851 61.550 62.300 0.168 0.000 0.841 230 V CB 1.062 32.960 31.823 0.125 0.000 0.991 230 V HN 0.860 nan 8.190 nan 0.000 0.437 231 I N 4.459 125.163 120.570 0.223 0.000 2.754 231 I HA 0.535 4.705 4.170 -0.000 0.000 0.285 231 I C 0.508 176.739 176.117 0.190 0.000 1.166 231 I CA 0.482 61.936 61.300 0.257 0.000 1.417 231 I CB 0.964 39.057 38.000 0.155 0.000 1.382 231 I HN 0.794 nan 8.210 nan 0.000 0.588 232 A N 4.754 127.634 122.820 0.100 0.000 2.566 232 A HA 0.866 5.186 4.320 -0.000 0.000 0.292 232 A C -0.622 176.940 177.584 -0.036 0.000 1.112 232 A CA -0.169 51.879 52.037 0.018 0.000 0.707 232 A CB 1.422 20.436 19.000 0.023 0.000 1.302 232 A HN 0.823 nan 8.150 nan 0.000 0.409 233 G N -1.560 107.170 108.800 -0.117 0.000 2.630 233 G HA2 0.915 4.875 3.960 -0.000 0.000 0.296 233 G HA3 0.915 4.875 3.960 -0.000 0.000 0.296 233 G C -0.078 174.690 174.900 -0.220 0.000 1.285 233 G CA -0.232 44.810 45.100 -0.096 0.000 0.958 233 G HN 2.209 nan 8.290 nan 0.000 0.479 234 G N -1.974 106.699 108.800 -0.213 0.000 2.350 234 G HA2 0.614 4.574 3.960 -0.000 0.000 0.282 234 G HA3 0.614 4.574 3.960 -0.000 0.000 0.282 234 G C -0.461 174.415 174.900 -0.041 0.000 1.314 234 G CA 0.238 45.098 45.100 -0.401 0.000 0.915 234 G HN 1.844 nan 8.290 nan 0.000 0.499 235 G N -1.753 107.025 108.800 -0.036 0.000 2.690 235 G HA2 1.002 4.962 3.960 -0.000 0.000 0.291 235 G HA3 1.002 4.962 3.960 -0.000 0.000 0.291 235 G C -0.367 174.526 174.900 -0.011 0.000 1.403 235 G CA 0.276 45.408 45.100 0.054 0.000 0.864 235 G HN 1.968 nan 8.290 nan 0.000 0.480 236 G N -0.484 108.305 108.800 -0.018 0.000 2.698 236 G HA2 0.623 4.583 3.960 -0.000 0.000 0.293 236 G HA3 0.623 4.583 3.960 -0.000 0.000 0.293 236 G C -1.336 173.529 174.900 -0.059 0.000 1.437 236 G CA -0.645 44.419 45.100 -0.060 0.000 0.852 236 G HN 0.550 nan 8.290 nan 0.000 0.499 237 M N 0.851 120.405 119.600 -0.076 0.000 2.371 237 M HA 0.471 4.951 4.480 -0.000 0.000 0.287 237 M C -0.392 175.863 176.300 -0.075 0.000 1.149 237 M CA -0.807 54.452 55.300 -0.069 0.000 0.929 237 M CB 1.541 34.090 32.600 -0.086 0.000 1.683 237 M HN 0.869 nan 8.290 nan 0.000 0.470 238 V N 0.576 120.448 119.914 -0.069 0.000 2.864 238 V HA 0.850 4.970 4.120 -0.000 0.000 0.314 238 V C -0.583 175.465 176.094 -0.076 0.000 1.073 238 V CA -0.845 61.403 62.300 -0.086 0.000 0.956 238 V CB 1.997 33.742 31.823 -0.129 0.000 1.023 238 V HN 0.543 nan 8.190 nan 0.000 0.435 239 V N 3.870 123.721 119.914 -0.103 0.000 2.334 239 V HA 0.335 4.455 4.120 -0.000 0.000 0.267 239 V C 0.173 176.134 176.094 -0.221 0.000 1.040 239 V CA -0.345 61.812 62.300 -0.239 0.000 0.866 239 V CB 0.977 32.672 31.823 -0.215 0.000 1.019 239 V HN 0.733 nan 8.190 nan 0.000 0.468 240 V N 5.100 124.856 119.914 -0.264 0.000 2.406 240 V HA 0.450 4.570 4.120 -0.000 0.000 0.272 240 V C 0.092 176.050 176.094 -0.226 0.000 1.043 240 V CA -0.251 61.927 62.300 -0.203 0.000 0.915 240 V CB 1.282 32.998 31.823 -0.179 0.000 0.988 240 V HN 0.976 nan 8.190 nan 0.000 0.466 241 E N 2.876 122.980 120.200 -0.161 0.000 2.314 241 E HA 0.330 4.680 4.350 -0.000 0.000 0.272 241 E C -0.764 175.779 176.600 -0.095 0.000 0.884 241 E CA -0.731 55.577 56.400 -0.154 0.000 0.753 241 E CB 1.761 31.397 29.700 -0.106 0.000 1.213 241 E HN 0.690 nan 8.360 nan 0.000 0.432 242 E N 4.020 124.163 120.200 -0.096 0.000 2.376 242 E HA -0.028 4.322 4.350 -0.000 0.000 0.266 242 E C 0.819 177.427 176.600 0.013 0.000 1.009 242 E CA -0.127 56.250 56.400 -0.039 0.000 0.902 242 E CB 1.086 30.763 29.700 -0.039 0.000 0.972 242 E HN 0.652 nan 8.360 nan 0.000 0.439 243 L N 5.899 127.125 121.223 0.005 0.000 1.978 243 L HA -0.262 4.078 4.340 -0.000 0.000 0.218 243 L C 1.869 178.753 176.870 0.023 0.000 1.075 243 L CA 2.048 56.893 54.840 0.008 0.000 0.767 243 L CB -0.524 41.535 42.059 0.000 0.000 0.890 243 L HN 0.562 nan 8.230 nan 0.000 0.434 244 E N -0.924 119.294 120.200 0.030 0.000 2.058 244 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 244 E C 2.259 178.882 176.600 0.040 0.000 0.997 244 E CA 1.540 57.956 56.400 0.027 0.000 0.801 244 E CB -0.885 28.829 29.700 0.025 0.000 0.746 244 E HN 0.700 nan 8.360 nan 0.000 0.450 245 H N 0.639 119.695 119.070 -0.024 0.000 2.353 245 H HA -0.076 4.480 4.556 -0.000 0.000 0.298 245 H C 1.802 177.113 175.328 -0.028 0.000 1.103 245 H CA 1.854 57.887 56.048 -0.025 0.000 1.293 245 H CB 0.155 29.898 29.762 -0.031 0.000 1.372 245 H HN 0.139 nan 8.280 nan 0.000 0.501 246 A N 0.872 123.756 122.820 0.108 0.000 1.897 246 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 246 A C 2.894 180.469 177.584 -0.014 0.000 1.181 246 A CA 0.979 53.046 52.037 0.051 0.000 0.620 246 A CB -0.700 18.317 19.000 0.028 0.000 0.821 246 A HN 0.390 nan 8.150 nan 0.000 0.443 247 L N -0.641 120.572 121.223 -0.018 0.000 2.027 247 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 247 L C 3.061 179.904 176.870 -0.044 0.000 1.074 247 L CA 1.061 55.885 54.840 -0.028 0.000 0.745 247 L CB -0.595 41.452 42.059 -0.020 0.000 0.898 247 L HN 0.401 nan 8.230 nan 0.000 0.433 248 A N 1.041 123.822 122.820 -0.066 0.000 2.024 248 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 248 A C 2.243 179.764 177.584 -0.106 0.000 1.164 248 A CA 1.927 53.910 52.037 -0.090 0.000 0.643 248 A CB -0.580 18.349 19.000 -0.118 0.000 0.806 248 A HN 0.606 nan 8.150 nan 0.000 0.451 249 R N -1.585 118.842 120.500 -0.123 0.000 2.362 249 R HA 0.373 4.713 4.340 -0.000 0.000 0.227 249 R C 0.966 177.239 176.300 -0.046 0.000 0.905 249 R CA 0.590 56.633 56.100 -0.095 0.000 1.067 249 R CB -0.587 29.640 30.300 -0.122 0.000 1.078 249 R HN 0.711 nan 8.270 nan 0.000 0.516 250 G N 0.939 109.716 108.800 -0.038 0.000 2.273 250 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.280 250 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.280 250 G C 0.276 175.173 174.900 -0.005 0.000 1.047 250 G CA 0.168 45.256 45.100 -0.020 0.000 0.869 250 G HN 0.707 nan 8.290 nan 0.000 0.502 251 A N 0.112 122.928 122.820 -0.006 0.000 2.425 251 A HA 0.525 4.845 4.320 -0.000 0.000 0.242 251 A C 0.676 178.268 177.584 0.014 0.000 1.077 251 A CA 0.141 52.184 52.037 0.010 0.000 0.781 251 A CB 0.214 19.218 19.000 0.006 0.000 1.020 251 A HN 0.992 nan 8.150 nan 0.000 0.494 252 H N 2.450 121.471 119.070 -0.082 0.000 2.800 252 H HA 0.317 4.873 4.556 -0.000 0.000 0.291 252 H C -0.845 174.381 175.328 -0.169 0.000 1.076 252 H CA -0.122 55.835 56.048 -0.152 0.000 1.452 252 H CB 0.201 29.830 29.762 -0.221 0.000 1.461 252 H HN 0.479 nan 8.280 nan 0.000 0.488 253 I N 7.174 127.423 120.570 -0.536 0.000 2.297 253 I HA -0.052 4.118 4.170 -0.000 0.000 0.291 253 I C 0.278 176.048 176.117 -0.578 0.000 1.033 253 I CA -0.496 60.552 61.300 -0.421 0.000 1.253 253 I CB 0.710 38.601 38.000 -0.181 0.000 1.396 253 I HN 0.709 nan 8.210 nan 0.000 0.476 254 Y N 5.270 125.283 120.300 -0.479 0.000 2.114 254 Y HA 0.025 4.575 4.550 -0.000 0.000 0.284 254 Y C 1.333 177.146 175.900 -0.145 0.000 1.143 254 Y CA 1.242 59.176 58.100 -0.276 0.000 1.135 254 Y CB 0.102 38.471 38.460 -0.150 0.000 0.980 254 Y HN 0.678 nan 8.280 nan 0.000 0.499 255 A N -0.820 122.031 122.820 0.052 0.000 2.586 255 A HA 0.387 4.707 4.320 -0.000 0.000 0.291 255 A C -1.439 176.144 177.584 -0.001 0.000 1.062 255 A CA -0.833 51.216 52.037 0.021 0.000 0.666 255 A CB 0.754 19.775 19.000 0.035 0.000 1.281 255 A HN 0.108 nan 8.150 nan 0.000 0.421 256 E N 0.917 121.115 120.200 -0.003 0.000 2.266 256 E HA 0.479 4.828 4.350 -0.000 0.000 0.277 256 E C -0.813 175.786 176.600 -0.002 0.000 1.018 256 E CA -0.643 55.753 56.400 -0.006 0.000 0.840 256 E CB 0.607 30.305 29.700 -0.002 0.000 1.082 256 E HN 0.458 nan 8.360 nan 0.000 0.395 257 I N 6.683 127.248 120.570 -0.008 0.000 2.281 257 I HA 0.001 4.171 4.170 -0.000 0.000 0.293 257 I C 1.047 177.177 176.117 0.023 0.000 1.085 257 I CA 0.053 61.353 61.300 0.000 0.000 1.257 257 I CB 0.599 38.584 38.000 -0.024 0.000 1.430 257 I HN 0.497 nan 8.210 nan 0.000 0.489 258 V N 3.266 123.200 119.914 0.035 0.000 3.647 258 V HA 0.540 4.660 4.120 -0.000 0.000 0.279 258 V C 0.732 176.866 176.094 0.066 0.000 1.314 258 V CA 0.213 62.539 62.300 0.043 0.000 1.125 258 V CB 0.083 31.925 31.823 0.032 0.000 0.907 258 V HN 0.697 nan 8.190 nan 0.000 0.434 259 G N -0.583 108.269 108.800 0.087 0.000 2.742 259 G HA2 0.542 4.502 3.960 -0.000 0.000 0.296 259 G HA3 0.542 4.502 3.960 -0.000 0.000 0.296 259 G C -2.322 172.693 174.900 0.192 0.000 1.436 259 G CA -0.593 44.578 45.100 0.120 0.000 0.928 259 G HN 0.336 nan 8.290 nan 0.000 0.520 260 Y N 1.133 121.454 120.300 0.035 0.000 2.307 260 Y HA 0.652 5.202 4.550 -0.000 0.000 0.323 260 Y C -0.096 175.831 175.900 0.045 0.000 1.100 260 Y CA -1.176 56.943 58.100 0.033 0.000 1.140 260 Y CB 1.516 39.995 38.460 0.031 0.000 1.159 260 Y HN 0.859 nan 8.280 nan 0.000 0.436 261 G N 3.065 111.786 108.800 -0.133 0.000 2.371 261 G HA2 0.731 4.691 3.960 -0.000 0.000 0.326 261 G HA3 0.731 4.691 3.960 -0.000 0.000 0.326 261 G C -1.489 173.206 174.900 -0.342 0.000 1.127 261 G CA -0.485 44.473 45.100 -0.236 0.000 0.885 261 G HN 1.194 nan 8.290 nan 0.000 0.477 262 A N 1.473 124.107 122.820 -0.311 0.000 2.476 262 A HA 0.821 5.140 4.320 -0.000 0.000 0.280 262 A C -0.068 177.496 177.584 -0.034 0.000 1.081 262 A CA -0.089 51.901 52.037 -0.078 0.000 0.753 262 A CB 1.212 20.147 19.000 -0.108 0.000 1.248 262 A HN 1.557 nan 8.150 nan 0.000 0.424 263 T N -1.391 113.187 114.554 0.040 0.000 2.838 263 T HA 0.866 5.215 4.350 -0.000 0.000 0.292 263 T C -0.300 174.409 174.700 0.016 0.000 1.113 263 T CA -0.417 61.680 62.100 -0.004 0.000 1.008 263 T CB 1.755 70.603 68.868 -0.033 0.000 1.259 263 T HN 1.449 nan 8.240 nan 0.000 0.520 264 S N -0.967 114.722 115.700 -0.018 0.000 2.548 264 S HA 0.474 4.944 4.470 -0.000 0.000 0.286 264 S C -0.146 174.430 174.600 -0.039 0.000 1.098 264 S CA -0.605 57.584 58.200 -0.019 0.000 0.930 264 S CB 1.631 64.815 63.200 -0.027 0.000 1.070 264 S HN 0.703 nan 8.310 nan 0.000 0.480 265 D N 2.548 122.923 120.400 -0.041 0.000 2.137 265 D HA 0.146 4.786 4.640 -0.000 0.000 0.202 265 D C 1.488 177.762 176.300 -0.044 0.000 0.970 265 D CA 1.502 55.471 54.000 -0.052 0.000 0.837 265 D CB -0.585 40.186 40.800 -0.049 0.000 0.981 265 D HN 1.038 nan 8.370 nan 0.000 0.475 266 G N 0.224 109.000 108.800 -0.040 0.000 2.341 266 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.292 266 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.292 266 G C 0.560 175.440 174.900 -0.032 0.000 1.021 266 G CA 0.935 46.013 45.100 -0.036 0.000 0.905 266 G HN 0.643 nan 8.290 nan 0.000 0.508 267 A N -1.031 121.770 122.820 -0.031 0.000 2.446 267 A HA 0.690 5.010 4.320 -0.000 0.000 0.199 267 A C 0.222 177.796 177.584 -0.017 0.000 1.677 267 A CA 0.697 52.720 52.037 -0.023 0.000 1.600 267 A CB 0.307 19.292 19.000 -0.024 0.000 1.583 267 A HN 0.370 nan 8.150 nan 0.000 0.551 268 D N 0.266 120.661 120.400 -0.008 0.000 2.280 268 D HA 0.336 4.976 4.640 -0.000 0.000 0.243 268 D C 0.836 177.135 176.300 -0.001 0.000 1.129 268 D CA -0.371 53.630 54.000 0.003 0.000 0.848 268 D CB 1.543 42.354 40.800 0.019 0.000 1.107 268 D HN 0.277 nan 8.370 nan 0.000 0.471 269 M N 4.569 124.161 119.600 -0.013 0.000 2.106 269 M HA -0.222 4.258 4.480 -0.000 0.000 0.259 269 M C 1.640 177.927 176.300 -0.022 0.000 1.068 269 M CA 1.881 57.152 55.300 -0.048 0.000 1.100 269 M CB -0.359 32.213 32.600 -0.048 0.000 1.351 269 M HN 0.415 nan 8.290 nan 0.000 0.404 270 V N -1.757 118.195 119.914 0.064 0.000 2.302 270 V HA 0.258 4.378 4.120 -0.000 0.000 0.243 270 V C 1.359 177.580 176.094 0.212 0.000 1.036 270 V CA 0.640 63.045 62.300 0.176 0.000 1.020 270 V CB -2.189 29.731 31.823 0.161 0.000 0.657 270 V HN 0.452 nan 8.190 nan 0.000 0.453 271 A N 2.659 125.560 122.820 0.136 0.000 2.316 271 A HA 0.684 5.004 4.320 -0.000 0.000 0.284 271 A C -2.223 175.426 177.584 0.108 0.000 1.115 271 A CA -1.579 50.537 52.037 0.132 0.000 0.812 271 A CB -0.298 18.757 19.000 0.092 0.000 1.064 271 A HN 0.506 nan 8.150 nan 0.000 0.489 272 P HA 0.084 nan 4.420 nan 0.000 0.275 272 P C 0.700 178.007 177.300 0.012 0.000 1.227 272 P CA 0.114 63.252 63.100 0.065 0.000 0.781 272 P CB 1.395 33.150 31.700 0.091 0.000 0.906 273 S N 2.143 117.821 115.700 -0.037 0.000 2.436 273 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 273 S C 1.598 176.158 174.600 -0.066 0.000 1.014 273 S CA 1.344 59.517 58.200 -0.046 0.000 0.950 273 S CB -1.095 62.073 63.200 -0.054 0.000 0.784 273 S HN 0.741 nan 8.310 nan 0.000 0.504 274 G N 1.565 110.296 108.800 -0.114 0.000 3.757 274 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.215 274 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.215 274 G C 0.893 175.701 174.900 -0.153 0.000 1.411 274 G CA 0.574 45.602 45.100 -0.120 0.000 0.896 274 G HN 0.530 nan 8.290 nan 0.000 0.581 275 E N 1.318 121.451 120.200 -0.112 0.000 2.085 275 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 275 E C 2.647 179.164 176.600 -0.138 0.000 0.994 275 E CA 1.867 58.203 56.400 -0.107 0.000 0.801 275 E CB -0.775 28.880 29.700 -0.076 0.000 0.743 275 E HN 0.643 nan 8.360 nan 0.000 0.453 276 G N 0.577 109.283 108.800 -0.156 0.000 2.422 276 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 276 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 276 G C 1.615 176.363 174.900 -0.253 0.000 1.146 276 G CA 0.964 45.965 45.100 -0.165 0.000 0.769 276 G HN 0.413 nan 8.290 nan 0.000 0.547 277 A N 0.122 122.676 122.820 -0.443 0.000 1.898 277 A HA 0.128 4.448 4.320 -0.000 0.000 0.216 277 A C 2.604 179.989 177.584 -0.330 0.000 1.181 277 A CA 1.666 53.238 52.037 -0.776 0.000 0.620 277 A CB -0.619 17.594 19.000 -1.311 0.000 0.819 277 A HN 0.234 nan 8.150 nan 0.000 0.442 278 V N 0.271 120.053 119.914 -0.219 0.000 2.255 278 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 278 V C 2.661 178.695 176.094 -0.101 0.000 1.051 278 V CA 2.428 64.654 62.300 -0.124 0.000 1.018 278 V CB -0.844 30.916 31.823 -0.105 0.000 0.641 278 V HN 0.537 nan 8.190 nan 0.000 0.445 279 R N -1.178 119.259 120.500 -0.104 0.000 2.096 279 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 279 R C 2.386 178.649 176.300 -0.062 0.000 1.127 279 R CA 1.616 57.668 56.100 -0.081 0.000 0.968 279 R CB -0.851 29.401 30.300 -0.081 0.000 0.861 279 R HN 0.576 nan 8.270 nan 0.000 0.440 280 C N 0.735 120.005 119.300 -0.050 0.000 2.462 280 C HA -0.047 4.413 4.460 -0.000 0.000 0.278 280 C C 2.607 177.624 174.990 0.045 0.000 1.253 280 C CA 0.800 59.826 59.018 0.014 0.000 1.713 280 C CB -0.647 27.157 27.740 0.107 0.000 2.049 280 C HN 0.456 nan 8.230 nan 0.000 0.477 281 M N 0.152 119.792 119.600 0.067 0.000 2.117 281 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 281 M C 2.274 178.567 176.300 -0.012 0.000 1.065 281 M CA 1.817 57.157 55.300 0.066 0.000 1.114 281 M CB -0.476 32.173 32.600 0.083 0.000 1.361 281 M HN 0.372 nan 8.290 nan 0.000 0.408 282 K N 0.031 120.399 120.400 -0.053 0.000 2.097 282 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 282 K C 1.999 178.593 176.600 -0.010 0.000 1.049 282 K CA 1.426 57.678 56.287 -0.058 0.000 0.933 282 K CB -0.228 32.230 32.500 -0.070 0.000 0.717 282 K HN 0.351 nan 8.250 nan 0.000 0.442 283 M N 0.530 120.116 119.600 -0.023 0.000 2.117 283 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 283 M C 2.102 178.413 176.300 0.017 0.000 1.065 283 M CA 1.783 57.066 55.300 -0.029 0.000 1.114 283 M CB -0.094 32.458 32.600 -0.080 0.000 1.361 283 M HN 0.163 nan 8.290 nan 0.000 0.408 284 A N 0.175 123.010 122.820 0.024 0.000 2.019 284 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 284 A C 1.904 179.532 177.584 0.073 0.000 1.164 284 A CA 1.620 53.693 52.037 0.059 0.000 0.644 284 A CB -0.624 18.422 19.000 0.076 0.000 0.805 284 A HN 0.666 nan 8.150 nan 0.000 0.449 285 M N -1.378 118.256 119.600 0.057 0.000 2.556 285 M HA 0.073 4.553 4.480 -0.000 0.000 0.245 285 M C 0.619 176.947 176.300 0.047 0.000 1.128 285 M CA -0.056 55.270 55.300 0.043 0.000 1.069 285 M CB -0.119 32.479 32.600 -0.004 0.000 1.469 285 M HN 0.505 nan 8.290 nan 0.000 0.494 286 H N 0.627 119.687 119.070 -0.016 0.000 3.125 286 H HA 0.172 4.728 4.556 -0.000 0.000 0.310 286 H C 1.206 176.533 175.328 -0.003 0.000 0.980 286 H CA 1.618 57.657 56.048 -0.016 0.000 1.422 286 H CB 0.238 29.987 29.762 -0.021 0.000 1.432 286 H HN 0.468 nan 8.280 nan 0.000 0.577 287 G N 3.218 111.730 108.800 -0.480 0.000 2.184 287 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 287 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 287 G C 0.009 174.837 174.900 -0.121 0.000 0.975 287 G CA 0.311 45.223 45.100 -0.314 0.000 0.642 287 G HN 0.671 nan 8.290 nan 0.000 0.536 288 V N 2.431 122.303 119.914 -0.071 0.000 2.389 288 V HA 0.351 4.471 4.120 -0.000 0.000 0.264 288 V C 1.198 177.280 176.094 -0.021 0.000 1.049 288 V CA 0.425 62.712 62.300 -0.021 0.000 0.932 288 V CB 1.353 33.184 31.823 0.014 0.000 1.011 288 V HN 0.487 nan 8.190 nan 0.000 0.475 289 D N 2.413 122.803 120.400 -0.017 0.000 2.340 289 D HA -0.014 4.625 4.640 -0.000 0.000 0.220 289 D C 0.736 177.038 176.300 0.003 0.000 1.039 289 D CA 0.133 54.125 54.000 -0.014 0.000 0.866 289 D CB -0.024 40.766 40.800 -0.017 0.000 0.913 289 D HN 0.584 nan 8.370 nan 0.000 0.523 290 T N -2.400 112.163 114.554 0.015 0.000 2.912 290 T HA 0.589 4.939 4.350 -0.000 0.000 0.288 290 T C -2.703 172.023 174.700 0.044 0.000 1.030 290 T CA -1.873 60.242 62.100 0.025 0.000 1.020 290 T CB 2.005 70.888 68.868 0.025 0.000 1.056 290 T HN -0.178 nan 8.240 nan 0.000 0.480 291 P HA 0.244 nan 4.420 nan 0.000 0.272 291 P C -0.275 177.074 177.300 0.081 0.000 1.223 291 P CA -0.632 62.514 63.100 0.076 0.000 0.784 291 P CB 0.419 32.154 31.700 0.057 0.000 0.923 292 I N 3.230 123.875 120.570 0.126 0.000 2.494 292 I HA -0.025 4.145 4.170 -0.000 0.000 0.289 292 I C 1.305 177.422 176.117 -0.001 0.000 1.106 292 I CA 0.463 61.812 61.300 0.081 0.000 1.369 292 I CB -0.369 37.717 38.000 0.143 0.000 1.410 292 I HN 0.319 nan 8.210 nan 0.000 0.523 293 D N 5.149 125.564 120.400 0.024 0.000 2.162 293 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 293 D C 0.191 176.529 176.300 0.064 0.000 0.967 293 D CA 1.514 55.533 54.000 0.032 0.000 0.840 293 D CB 0.262 41.093 40.800 0.052 0.000 0.972 293 D HN 0.554 nan 8.370 nan 0.000 0.482 294 Y N 0.271 120.524 120.300 -0.078 0.000 2.479 294 Y HA 0.412 4.961 4.550 -0.000 0.000 0.338 294 Y C -1.969 173.883 175.900 -0.081 0.000 1.055 294 Y CA -1.196 56.849 58.100 -0.092 0.000 1.023 294 Y CB 1.570 39.975 38.460 -0.090 0.000 1.287 294 Y HN -0.247 nan 8.280 nan 0.000 0.447 295 L N 7.650 128.214 121.223 -1.099 0.000 2.376 295 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 295 L C -1.437 174.789 176.870 -1.074 0.000 0.987 295 L CA -0.339 54.013 54.840 -0.814 0.000 0.828 295 L CB 1.513 43.323 42.059 -0.414 0.000 1.249 295 L HN 0.936 nan 8.230 nan 0.000 0.409 296 N N 3.470 121.745 118.700 -0.708 0.000 2.437 296 N HA 0.133 4.873 4.740 -0.000 0.000 0.243 296 N C -0.247 175.164 175.510 -0.165 0.000 1.041 296 N CA -0.103 52.778 53.050 -0.282 0.000 0.940 296 N CB 1.045 39.539 38.487 0.013 0.000 1.133 296 N HN 0.739 nan 8.380 nan 0.000 0.506 297 S N 2.604 118.248 115.700 -0.094 0.000 2.614 297 S HA 0.032 4.502 4.470 -0.000 0.000 0.265 297 S C 1.269 175.817 174.600 -0.086 0.000 1.303 297 S CA -0.330 57.850 58.200 -0.033 0.000 1.000 297 S CB 1.258 64.545 63.200 0.145 0.000 0.935 297 S HN 0.775 nan 8.310 nan 0.000 0.551 298 H N 1.802 120.748 119.070 -0.208 0.000 2.389 298 H HA 0.160 4.716 4.556 -0.000 0.000 0.299 298 H C 1.406 176.606 175.328 -0.214 0.000 1.081 298 H CA 1.012 56.893 56.048 -0.279 0.000 1.345 298 H CB -1.073 28.458 29.762 -0.384 0.000 1.393 298 H HN 0.932 nan 8.280 nan 0.000 0.520 299 G N 0.773 109.426 108.800 -0.245 0.000 2.925 299 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.316 299 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.316 299 G C 0.981 175.583 174.900 -0.496 0.000 0.265 299 G CA 0.953 45.841 45.100 -0.354 0.000 1.208 299 G HN 0.746 nan 8.290 nan 0.000 0.208 300 T N -0.757 113.520 114.554 -0.461 0.000 3.086 300 T HA 0.356 4.706 4.350 -0.000 0.000 0.250 300 T C 1.303 175.926 174.700 -0.128 0.000 1.074 300 T CA 0.884 62.750 62.100 -0.390 0.000 0.988 300 T CB 0.282 68.895 68.868 -0.425 0.000 0.988 300 T HN 1.604 nan 8.240 nan 0.000 0.530 301 S N 0.714 116.334 115.700 -0.133 0.000 3.461 301 S HA -0.134 4.336 4.470 -0.000 0.000 0.282 301 S C 0.251 174.878 174.600 0.046 0.000 1.262 301 S CA 0.634 58.801 58.200 -0.054 0.000 0.853 301 S CB -2.176 60.999 63.200 -0.041 0.000 1.048 301 S HN 1.226 nan 8.310 nan 0.000 0.644 302 T N -0.839 113.761 114.554 0.076 0.000 2.867 302 T HA 0.650 4.999 4.350 -0.000 0.000 0.282 302 T C -1.398 173.367 174.700 0.108 0.000 1.000 302 T CA -1.566 60.608 62.100 0.123 0.000 1.042 302 T CB 1.569 70.545 68.868 0.180 0.000 0.973 302 T HN -0.058 nan 8.240 nan 0.000 0.465 303 P HA -0.136 nan 4.420 nan 0.000 0.213 303 P C 1.682 179.045 177.300 0.104 0.000 1.170 303 P CA 0.691 63.848 63.100 0.095 0.000 0.902 303 P CB -0.051 31.700 31.700 0.084 0.000 0.789 304 V N -0.381 119.600 119.914 0.113 0.000 2.283 304 V HA -0.100 4.020 4.120 -0.000 0.000 0.243 304 V C 2.624 178.802 176.094 0.139 0.000 1.039 304 V CA 2.414 64.783 62.300 0.115 0.000 1.016 304 V CB -1.952 29.939 31.823 0.112 0.000 0.650 304 V HN 0.172 nan 8.190 nan 0.000 0.449 305 G N -0.082 108.819 108.800 0.167 0.000 2.469 305 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 305 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 305 G C 1.213 176.246 174.900 0.222 0.000 1.150 305 G CA 1.288 46.513 45.100 0.208 0.000 0.763 305 G HN 0.499 nan 8.290 nan 0.000 0.561 306 D N 0.078 120.594 120.400 0.193 0.000 2.117 306 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 306 D C 2.953 179.426 176.300 0.289 0.000 0.987 306 D CA 1.550 55.707 54.000 0.261 0.000 0.829 306 D CB -0.510 40.421 40.800 0.219 0.000 0.961 306 D HN 0.346 nan 8.370 nan 0.000 0.460 307 V N -0.830 119.198 119.914 0.189 0.000 2.427 307 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 307 V C 2.059 178.217 176.094 0.107 0.000 1.051 307 V CA 1.113 63.490 62.300 0.127 0.000 1.048 307 V CB -0.482 31.395 31.823 0.089 0.000 0.666 307 V HN -0.046 nan 8.190 nan 0.000 0.456 308 K N 0.613 121.082 120.400 0.115 0.000 2.063 308 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 308 K C 2.236 178.892 176.600 0.092 0.000 1.048 308 K CA 2.117 58.453 56.287 0.082 0.000 0.928 308 K CB -0.291 32.254 32.500 0.074 0.000 0.713 308 K HN 0.789 nan 8.250 nan 0.000 0.442 309 E N 0.870 121.183 120.200 0.187 0.000 2.047 309 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 309 E C 2.210 178.916 176.600 0.177 0.000 0.987 309 E CA 0.570 57.123 56.400 0.255 0.000 0.799 309 E CB -0.013 29.952 29.700 0.443 0.000 0.752 309 E HN 0.135 nan 8.360 nan 0.000 0.449 310 L N 0.743 122.042 121.223 0.127 0.000 2.021 310 L HA -0.268 4.071 4.340 -0.000 0.000 0.215 310 L C 2.738 179.620 176.870 0.020 0.000 1.074 310 L CA 1.561 56.400 54.840 -0.002 0.000 0.760 310 L CB -0.604 41.409 42.059 -0.077 0.000 0.889 310 L HN 0.250 nan 8.230 nan 0.000 0.433 311 A N -0.372 122.467 122.820 0.031 0.000 1.933 311 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 311 A C 2.504 180.100 177.584 0.021 0.000 1.175 311 A CA 1.705 53.754 52.037 0.020 0.000 0.628 311 A CB -0.694 18.316 19.000 0.016 0.000 0.814 311 A HN 0.430 nan 8.150 nan 0.000 0.444 312 A N -0.152 122.683 122.820 0.024 0.000 1.930 312 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 312 A C 2.087 179.708 177.584 0.061 0.000 1.175 312 A CA 1.400 53.440 52.037 0.005 0.000 0.627 312 A CB -0.544 18.422 19.000 -0.058 0.000 0.815 312 A HN 0.487 nan 8.150 nan 0.000 0.443 313 I N -1.099 119.547 120.570 0.127 0.000 2.315 313 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 313 I C 2.649 178.903 176.117 0.227 0.000 1.117 313 I CA 1.554 62.995 61.300 0.235 0.000 1.404 313 I CB -0.177 37.937 38.000 0.190 0.000 1.071 313 I HN 0.265 nan 8.210 nan 0.000 0.419 314 R N 1.287 121.853 120.500 0.110 0.000 2.092 314 R HA -0.203 4.137 4.340 -0.000 0.000 0.231 314 R C 2.073 178.410 176.300 0.062 0.000 1.119 314 R CA 1.529 57.679 56.100 0.084 0.000 0.970 314 R CB -0.312 30.008 30.300 0.034 0.000 0.864 314 R HN 0.247 nan 8.270 nan 0.000 0.440 315 E N -0.451 119.767 120.200 0.029 0.000 2.110 315 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 315 E C 1.702 178.274 176.600 -0.046 0.000 0.988 315 E CA 1.600 57.994 56.400 -0.009 0.000 0.804 315 E CB -0.191 29.494 29.700 -0.025 0.000 0.745 315 E HN 0.174 nan 8.360 nan 0.000 0.458 316 V N -0.346 119.520 119.914 -0.079 0.000 2.323 316 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 316 V C 1.722 177.604 176.094 -0.353 0.000 1.041 316 V CA 1.790 63.927 62.300 -0.272 0.000 1.025 316 V CB -0.463 31.095 31.823 -0.442 0.000 0.656 316 V HN 0.254 nan 8.190 nan 0.000 0.451 317 F N -0.210 119.737 119.950 -0.004 0.000 2.749 317 F HA 0.493 5.020 4.527 -0.000 0.000 0.300 317 F C 1.783 177.578 175.800 -0.008 0.000 1.103 317 F CA 0.549 58.545 58.000 -0.006 0.000 1.342 317 F CB -0.345 38.650 39.000 -0.009 0.000 1.098 317 F HN 0.267 nan 8.300 nan 0.000 0.586 318 G N 0.860 109.737 108.800 0.127 0.000 2.622 318 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.307 318 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.307 318 G C 0.630 175.579 174.900 0.081 0.000 1.226 318 G CA 0.673 45.817 45.100 0.075 0.000 0.997 318 G HN 0.261 nan 8.290 nan 0.000 0.551 319 D N 1.405 121.842 120.400 0.061 0.000 2.328 319 D HA 0.150 4.790 4.640 -0.000 0.000 0.221 319 D C 1.165 177.492 176.300 0.046 0.000 1.072 319 D CA 0.470 54.496 54.000 0.043 0.000 0.850 319 D CB 0.257 41.073 40.800 0.027 0.000 0.922 319 D HN 0.427 nan 8.370 nan 0.000 0.516 320 K N 0.650 121.099 120.400 0.082 0.000 3.135 320 K HA 0.132 4.452 4.320 -0.000 0.000 0.210 320 K C 0.045 176.674 176.600 0.047 0.000 1.176 320 K CA -0.217 56.114 56.287 0.073 0.000 1.064 320 K CB 1.051 33.610 32.500 0.098 0.000 1.009 320 K HN -0.178 nan 8.250 nan 0.000 0.472 321 S N 2.803 118.489 115.700 -0.023 0.000 2.573 321 S HA 0.027 4.497 4.470 -0.000 0.000 0.297 321 S C -1.842 172.578 174.600 -0.300 0.000 1.280 321 S CA -0.947 57.130 58.200 -0.205 0.000 1.061 321 S CB 0.286 63.406 63.200 -0.133 0.000 0.812 321 S HN 0.188 nan 8.310 nan 0.000 0.500 322 P HA 0.293 nan 4.420 nan 0.000 0.275 322 P C -0.965 176.206 177.300 -0.214 0.000 1.266 322 P CA -0.578 62.306 63.100 -0.360 0.000 0.793 322 P CB 0.192 31.598 31.700 -0.490 0.000 1.074 323 A N 0.882 123.653 122.820 -0.081 0.000 2.477 323 A HA 0.384 4.704 4.320 -0.000 0.000 0.246 323 A C 0.197 177.770 177.584 -0.018 0.000 1.078 323 A CA 0.079 52.123 52.037 0.012 0.000 0.770 323 A CB -0.906 18.167 19.000 0.122 0.000 1.011 323 A HN 0.426 nan 8.150 nan 0.000 0.494 324 I N 1.967 122.530 120.570 -0.012 0.000 2.545 324 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 324 I C 0.100 176.284 176.117 0.111 0.000 1.040 324 I CA -0.225 61.034 61.300 -0.069 0.000 1.068 324 I CB 2.425 40.370 38.000 -0.092 0.000 1.251 324 I HN 0.755 nan 8.210 nan 0.000 0.424 325 S N 3.688 119.485 115.700 0.162 0.000 2.556 325 S HA 0.840 5.310 4.470 -0.000 0.000 0.271 325 S C -0.853 173.831 174.600 0.140 0.000 1.135 325 S CA -0.882 57.440 58.200 0.203 0.000 0.858 325 S CB 2.054 65.388 63.200 0.223 0.000 1.114 325 S HN 0.740 nan 8.310 nan 0.000 0.468 326 A N 1.858 124.725 122.820 0.079 0.000 2.444 326 A HA 0.564 4.884 4.320 -0.000 0.000 0.332 326 A C 1.205 178.756 177.584 -0.055 0.000 1.430 326 A CA -0.208 51.796 52.037 -0.056 0.000 0.975 326 A CB -0.523 18.315 19.000 -0.270 0.000 1.147 326 A HN 1.235 nan 8.150 nan 0.000 0.524 327 T N -0.021 114.525 114.554 -0.012 0.000 3.007 327 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 327 T C 1.394 176.049 174.700 -0.076 0.000 1.107 327 T CA 1.318 63.390 62.100 -0.046 0.000 1.118 327 T CB -0.333 68.514 68.868 -0.034 0.000 0.889 327 T HN 0.631 nan 8.240 nan 0.000 0.506 328 K N 1.258 121.604 120.400 -0.090 0.000 2.281 328 K HA 0.085 4.405 4.320 -0.000 0.000 0.203 328 K C 2.605 179.148 176.600 -0.095 0.000 1.046 328 K CA 0.997 57.221 56.287 -0.106 0.000 0.938 328 K CB -0.385 31.994 32.500 -0.201 0.000 0.737 328 K HN 0.515 nan 8.250 nan 0.000 0.458 329 A N 0.920 123.674 122.820 -0.110 0.000 2.015 329 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 329 A C 2.018 179.562 177.584 -0.068 0.000 1.163 329 A CA 1.251 53.233 52.037 -0.093 0.000 0.646 329 A CB -0.257 18.686 19.000 -0.095 0.000 0.806 329 A HN 0.191 nan 8.150 nan 0.000 0.448 330 M N -0.942 118.613 119.600 -0.074 0.000 2.248 330 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 330 M C 2.303 178.568 176.300 -0.057 0.000 1.079 330 M CA 1.802 57.059 55.300 -0.073 0.000 1.150 330 M CB -0.077 32.455 32.600 -0.112 0.000 1.366 330 M HN 0.625 nan 8.290 nan 0.000 0.433 331 T N -2.811 111.708 114.554 -0.057 0.000 3.037 331 T HA 0.429 4.779 4.350 -0.000 0.000 0.252 331 T C 1.054 175.767 174.700 0.021 0.000 1.073 331 T CA 0.371 62.457 62.100 -0.023 0.000 1.091 331 T CB -0.013 68.861 68.868 0.010 0.000 0.935 331 T HN 0.540 nan 8.240 nan 0.000 0.488 332 G N 1.294 110.111 108.800 0.027 0.000 2.782 332 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.228 332 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.228 332 G C -0.835 174.123 174.900 0.096 0.000 1.372 332 G CA -0.242 44.907 45.100 0.082 0.000 0.862 332 G HN 0.861 nan 8.290 nan 0.000 0.547 333 H N 0.536 119.605 119.070 -0.002 0.000 2.581 333 H HA 0.620 5.176 4.556 -0.000 0.000 0.308 333 H C 1.444 176.706 175.328 -0.112 0.000 1.040 333 H CA -0.117 55.845 56.048 -0.143 0.000 1.231 333 H CB 0.823 30.342 29.762 -0.405 0.000 1.396 333 H HN 0.874 nan 8.280 nan 0.000 0.467 334 S N 4.779 120.575 115.700 0.159 0.000 2.660 334 S HA 0.164 4.634 4.470 -0.000 0.000 0.227 334 S C 1.226 175.803 174.600 -0.038 0.000 0.948 334 S CA -0.050 58.161 58.200 0.019 0.000 0.948 334 S CB -0.527 62.685 63.200 0.020 0.000 0.779 334 S HN 0.728 nan 8.310 nan 0.000 0.487 335 L N -0.058 121.054 121.223 -0.186 0.000 5.154 335 L HA -0.355 3.985 4.340 -0.000 0.000 0.053 335 L C 2.289 179.159 176.870 0.000 0.000 3.137 335 L CA 1.452 56.131 54.840 -0.270 0.000 1.466 335 L CB -1.993 39.904 42.059 -0.270 0.000 2.980 335 L HN 0.430 nan 8.230 nan 0.000 0.938 336 G N -1.068 107.747 108.800 0.025 0.000 2.485 336 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.221 336 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.221 336 G C 1.276 176.203 174.900 0.044 0.000 1.115 336 G CA 1.527 46.662 45.100 0.060 0.000 0.751 336 G HN 0.883 nan 8.290 nan 0.000 0.567 337 A N 0.367 123.205 122.820 0.030 0.000 2.178 337 A HA 0.616 4.936 4.320 -0.000 0.000 0.211 337 A C 2.620 180.188 177.584 -0.026 0.000 1.157 337 A CA 1.362 53.402 52.037 0.006 0.000 0.780 337 A CB -0.283 18.721 19.000 0.007 0.000 0.828 337 A HN 0.598 nan 8.150 nan 0.000 0.476 338 A N 0.111 122.935 122.820 0.007 0.000 1.908 338 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 338 A C 2.350 179.886 177.584 -0.080 0.000 1.181 338 A CA 1.963 53.993 52.037 -0.011 0.000 0.627 338 A CB -1.315 17.727 19.000 0.069 0.000 0.818 338 A HN 0.675 nan 8.150 nan 0.000 0.445 339 G N -1.055 107.708 108.800 -0.061 0.000 2.421 339 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 339 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 339 G C 1.638 176.454 174.900 -0.139 0.000 1.171 339 G CA 1.308 46.350 45.100 -0.096 0.000 0.775 339 G HN 0.599 nan 8.290 nan 0.000 0.543 340 V N -0.044 119.789 119.914 -0.134 0.000 2.488 340 V HA -0.053 4.067 4.120 -0.000 0.000 0.246 340 V C 2.678 178.616 176.094 -0.260 0.000 1.046 340 V CA 2.200 64.402 62.300 -0.164 0.000 1.053 340 V CB -0.152 31.601 31.823 -0.118 0.000 0.679 340 V HN 0.483 nan 8.190 nan 0.000 0.458 341 Q N -0.323 119.292 119.800 -0.308 0.000 2.084 341 Q HA -0.243 4.096 4.340 -0.000 0.000 0.202 341 Q C 2.153 177.524 176.000 -1.048 0.000 0.978 341 Q CA 2.192 57.644 55.803 -0.585 0.000 0.844 341 Q CB -0.107 28.368 28.738 -0.438 0.000 0.898 341 Q HN 0.713 nan 8.270 nan 0.000 0.426 342 E N 0.387 120.221 120.200 -0.611 0.000 2.152 342 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 342 E C 1.923 178.378 176.600 -0.241 0.000 0.983 342 E CA 0.685 56.848 56.400 -0.395 0.000 0.818 342 E CB -0.046 29.581 29.700 -0.123 0.000 0.758 342 E HN 0.332 nan 8.360 nan 0.000 0.467 343 A N 1.072 123.757 122.820 -0.225 0.000 1.940 343 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 343 A C 2.140 179.619 177.584 -0.175 0.000 1.176 343 A CA 1.142 53.084 52.037 -0.157 0.000 0.631 343 A CB -0.534 18.375 19.000 -0.152 0.000 0.814 343 A HN 0.157 nan 8.150 nan 0.000 0.446 344 I N -1.646 118.758 120.570 -0.277 0.000 2.252 344 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 344 I C 2.323 178.389 176.117 -0.087 0.000 1.102 344 I CA 1.108 62.268 61.300 -0.234 0.000 1.385 344 I CB -0.454 37.390 38.000 -0.260 0.000 1.064 344 I HN 0.382 nan 8.210 nan 0.000 0.414 345 Y N 0.873 121.148 120.300 -0.042 0.000 2.165 345 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 345 Y C 2.945 178.816 175.900 -0.048 0.000 1.155 345 Y CA 0.919 59.004 58.100 -0.025 0.000 1.164 345 Y CB -1.536 36.916 38.460 -0.014 0.000 0.978 345 Y HN 0.098 nan 8.280 nan 0.000 0.513 346 S N 0.158 115.933 115.700 0.124 0.000 2.370 346 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 346 S C 2.160 176.774 174.600 0.023 0.000 1.033 346 S CA 1.367 59.627 58.200 0.100 0.000 1.011 346 S CB -0.670 62.600 63.200 0.116 0.000 0.852 346 S HN 0.362 nan 8.310 nan 0.000 0.457 347 L N 0.820 122.038 121.223 -0.008 0.000 2.093 347 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 347 L C 2.147 179.055 176.870 0.064 0.000 1.085 347 L CA 0.811 55.639 54.840 -0.019 0.000 0.755 347 L CB -0.479 41.482 42.059 -0.163 0.000 0.904 347 L HN 0.270 nan 8.230 nan 0.000 0.435 348 L N -1.106 120.176 121.223 0.098 0.000 2.141 348 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 348 L C 2.583 179.623 176.870 0.283 0.000 1.094 348 L CA 1.184 56.200 54.840 0.293 0.000 0.763 348 L CB -0.304 41.929 42.059 0.290 0.000 0.908 348 L HN 0.307 nan 8.230 nan 0.000 0.437 349 M N -0.943 118.603 119.600 -0.090 0.000 2.132 349 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 349 M C 2.281 178.475 176.300 -0.178 0.000 1.065 349 M CA 1.528 56.522 55.300 -0.510 0.000 1.122 349 M CB -0.299 31.790 32.600 -0.851 0.000 1.365 349 M HN 0.211 nan 8.290 nan 0.000 0.411 350 L N 0.555 121.742 121.223 -0.060 0.000 2.141 350 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 350 L C 2.175 179.076 176.870 0.053 0.000 1.094 350 L CA 1.916 56.759 54.840 0.006 0.000 0.763 350 L CB -0.460 41.620 42.059 0.034 0.000 0.908 350 L HN 0.213 nan 8.230 nan 0.000 0.437 351 E N -1.318 118.945 120.200 0.104 0.000 2.076 351 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 351 E C 1.660 178.195 176.600 -0.108 0.000 0.979 351 E CA 1.380 57.800 56.400 0.034 0.000 0.807 351 E CB -0.090 29.695 29.700 0.142 0.000 0.761 351 E HN 0.631 nan 8.360 nan 0.000 0.454 352 H N -1.168 118.031 119.070 0.215 0.000 2.549 352 H HA 0.284 4.840 4.556 -0.000 0.000 0.279 352 H C 0.407 175.902 175.328 0.278 0.000 1.018 352 H CA 0.417 56.611 56.048 0.242 0.000 1.175 352 H CB 0.668 30.596 29.762 0.277 0.000 1.485 352 H HN 0.278 nan 8.280 nan 0.000 0.543 353 G N 2.190 111.150 108.800 0.266 0.000 2.367 353 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.295 353 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.295 353 G C -0.291 174.763 174.900 0.256 0.000 1.019 353 G CA 0.785 45.986 45.100 0.169 0.000 1.224 353 G HN 0.488 nan 8.290 nan 0.000 0.510 354 F N -1.769 118.163 119.950 -0.031 0.000 2.713 354 F HA 0.814 5.341 4.527 -0.000 0.000 0.311 354 F C -0.878 174.822 175.800 -0.167 0.000 1.141 354 F CA -2.740 55.219 58.000 -0.070 0.000 0.939 354 F CB 1.047 40.018 39.000 -0.048 0.000 1.325 354 F HN 0.062 nan 8.300 nan 0.000 0.453 355 I N 2.694 123.102 120.570 -0.269 0.000 2.362 355 I HA 0.636 4.806 4.170 -0.000 0.000 0.289 355 I C 0.198 176.180 176.117 -0.225 0.000 0.994 355 I CA -1.003 59.998 61.300 -0.499 0.000 1.158 355 I CB 1.545 39.395 38.000 -0.249 0.000 1.315 355 I HN 0.961 nan 8.210 nan 0.000 0.451 356 A N 9.104 131.703 122.820 -0.369 0.000 2.407 356 A HA 0.528 4.847 4.320 -0.000 0.000 0.248 356 A C -2.360 175.230 177.584 0.010 0.000 1.082 356 A CA -1.085 50.947 52.037 -0.009 0.000 0.785 356 A CB -0.304 18.681 19.000 -0.025 0.000 1.020 356 A HN 0.427 nan 8.150 nan 0.000 0.489 357 P HA 0.143 nan 4.420 nan 0.000 0.278 357 P C -0.360 176.962 177.300 0.038 0.000 1.238 357 P CA -0.238 62.887 63.100 0.042 0.000 0.794 357 P CB 1.130 32.849 31.700 0.032 0.000 0.955 358 S N 2.381 118.114 115.700 0.056 0.000 2.411 358 S HA 0.355 4.825 4.470 -0.000 0.000 0.304 358 S C 0.608 175.226 174.600 0.029 0.000 1.098 358 S CA -0.738 57.493 58.200 0.052 0.000 1.068 358 S CB -1.369 61.900 63.200 0.115 0.000 1.032 358 S HN 0.340 nan 8.310 nan 0.000 0.511 359 I N 2.160 122.728 120.570 -0.003 0.000 2.970 359 I HA 0.520 4.690 4.170 -0.000 0.000 0.310 359 I C 0.389 176.494 176.117 -0.020 0.000 1.010 359 I CA -0.602 60.692 61.300 -0.010 0.000 1.228 359 I CB 0.429 38.416 38.000 -0.023 0.000 1.433 359 I HN 0.502 nan 8.210 nan 0.000 0.573 360 N N 1.120 119.808 118.700 -0.021 0.000 2.753 360 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 360 N C -0.593 174.908 175.510 -0.015 0.000 1.097 360 N CA 1.029 54.058 53.050 -0.035 0.000 0.786 360 N CB -1.606 36.834 38.487 -0.079 0.000 1.137 360 N HN 0.623 nan 8.380 nan 0.000 0.566 361 I N 0.939 121.517 120.570 0.014 0.000 2.281 361 I HA 0.052 4.222 4.170 -0.000 0.000 0.293 361 I C 1.509 177.653 176.117 0.046 0.000 1.085 361 I CA -0.027 61.298 61.300 0.041 0.000 1.257 361 I CB 1.037 39.077 38.000 0.066 0.000 1.430 361 I HN -0.009 nan 8.210 nan 0.000 0.489 362 E N 4.241 124.478 120.200 0.062 0.000 2.127 362 E HA 0.077 4.427 4.350 -0.000 0.000 0.191 362 E C -0.178 176.471 176.600 0.082 0.000 0.964 362 E CA 0.892 57.337 56.400 0.074 0.000 0.832 362 E CB 0.522 30.279 29.700 0.096 0.000 0.790 362 E HN 0.553 nan 8.360 nan 0.000 0.465 363 E N 0.700 120.954 120.200 0.089 0.000 2.283 363 E HA 0.201 4.551 4.350 -0.000 0.000 0.258 363 E C -1.176 175.446 176.600 0.035 0.000 0.893 363 E CA -0.367 56.069 56.400 0.060 0.000 0.798 363 E CB 1.749 31.488 29.700 0.065 0.000 1.242 363 E HN 0.093 nan 8.360 nan 0.000 0.414 364 L N 2.911 124.155 121.223 0.034 0.000 2.455 364 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 364 L C 0.497 177.378 176.870 0.018 0.000 1.174 364 L CA 0.312 55.174 54.840 0.036 0.000 0.869 364 L CB 0.567 42.640 42.059 0.024 0.000 1.130 364 L HN 0.693 nan 8.230 nan 0.000 0.474 365 D N 2.997 123.417 120.400 0.033 0.000 2.478 365 D HA -0.134 4.506 4.640 -0.000 0.000 0.234 365 D C 0.965 177.263 176.300 -0.003 0.000 1.154 365 D CA 0.308 54.319 54.000 0.018 0.000 0.874 365 D CB 1.122 41.955 40.800 0.055 0.000 1.198 365 D HN 0.720 nan 8.370 nan 0.000 0.455 366 E N 1.864 122.061 120.200 -0.005 0.000 2.208 366 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 366 E C 1.312 177.904 176.600 -0.014 0.000 0.988 366 E CA 0.849 57.244 56.400 -0.008 0.000 0.828 366 E CB -0.037 29.661 29.700 -0.004 0.000 0.763 366 E HN 0.413 nan 8.360 nan 0.000 0.478 367 Q N 0.164 119.957 119.800 -0.010 0.000 2.437 367 Q HA 0.002 4.342 4.340 -0.000 0.000 0.210 367 Q C 1.654 177.623 176.000 -0.051 0.000 0.972 367 Q CA 1.171 56.965 55.803 -0.016 0.000 0.903 367 Q CB 0.142 28.882 28.738 0.004 0.000 0.967 367 Q HN 0.519 nan 8.270 nan 0.000 0.486 368 A N 0.490 123.264 122.820 -0.077 0.000 2.251 368 A HA 0.348 4.668 4.320 -0.000 0.000 0.209 368 A C 0.977 178.510 177.584 -0.085 0.000 1.187 368 A CA 0.268 52.225 52.037 -0.133 0.000 0.823 368 A CB -0.028 18.855 19.000 -0.196 0.000 0.846 368 A HN 0.225 nan 8.150 nan 0.000 0.486 369 A N -0.770 122.020 122.820 -0.049 0.000 2.546 369 A HA 0.427 4.747 4.320 -0.000 0.000 0.243 369 A C 1.647 179.212 177.584 -0.030 0.000 1.063 369 A CA 0.691 52.709 52.037 -0.032 0.000 0.757 369 A CB -0.607 18.382 19.000 -0.018 0.000 0.991 369 A HN 1.942 nan 8.150 nan 0.000 0.503 370 G N 0.927 109.712 108.800 -0.026 0.000 2.179 370 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 370 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 370 G C 0.078 174.961 174.900 -0.028 0.000 0.977 370 G CA 0.519 45.607 45.100 -0.019 0.000 0.641 370 G HN 0.794 nan 8.290 nan 0.000 0.533 371 L N -0.362 120.831 121.223 -0.050 0.000 2.331 371 L HA 0.584 4.924 4.340 -0.000 0.000 0.268 371 L C 0.325 177.153 176.870 -0.070 0.000 1.015 371 L CA -1.172 53.625 54.840 -0.072 0.000 0.807 371 L CB 1.346 43.338 42.059 -0.112 0.000 1.293 371 L HN 0.062 nan 8.230 nan 0.000 0.451 372 N N 1.832 120.484 118.700 -0.080 0.000 2.955 372 N HA 0.304 5.044 4.740 -0.000 0.000 0.242 372 N C -0.890 174.593 175.510 -0.045 0.000 1.123 372 N CA -0.251 52.766 53.050 -0.054 0.000 0.949 372 N CB 0.029 38.486 38.487 -0.049 0.000 1.214 372 N HN 0.376 nan 8.380 nan 0.000 0.504 373 I N 2.367 122.914 120.570 -0.039 0.000 2.337 373 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 373 I C -0.034 176.103 176.117 0.033 0.000 1.046 373 I CA -0.783 60.515 61.300 -0.004 0.000 1.324 373 I CB 0.990 38.980 38.000 -0.016 0.000 1.409 373 I HN -0.022 nan 8.210 nan 0.000 0.494 374 V N 6.133 126.084 119.914 0.061 0.000 2.383 374 V HA 0.148 4.268 4.120 -0.000 0.000 0.275 374 V C 1.109 177.242 176.094 0.065 0.000 1.036 374 V CA -0.119 62.217 62.300 0.060 0.000 0.889 374 V CB 1.306 33.172 31.823 0.073 0.000 0.985 374 V HN 0.909 nan 8.190 nan 0.000 0.459 375 T N 0.478 115.060 114.554 0.048 0.000 3.084 375 T HA 0.385 4.735 4.350 -0.000 0.000 0.270 375 T C 0.188 174.908 174.700 0.033 0.000 1.008 375 T CA -0.209 61.917 62.100 0.044 0.000 0.900 375 T CB 0.093 68.984 68.868 0.040 0.000 1.084 375 T HN 0.603 nan 8.240 nan 0.000 0.538 376 E N 1.324 121.544 120.200 0.034 0.000 2.314 376 E HA 0.338 4.688 4.350 -0.000 0.000 0.272 376 E C -1.007 175.617 176.600 0.040 0.000 0.884 376 E CA -0.816 55.602 56.400 0.029 0.000 0.753 376 E CB 2.090 31.803 29.700 0.023 0.000 1.213 376 E HN 0.124 nan 8.360 nan 0.000 0.432 377 T N 2.126 116.707 114.554 0.045 0.000 2.871 377 T HA 0.086 4.436 4.350 -0.000 0.000 0.296 377 T C -0.171 174.574 174.700 0.074 0.000 0.998 377 T CA 0.508 62.657 62.100 0.082 0.000 1.162 377 T CB 0.114 69.017 68.868 0.059 0.000 0.947 377 T HN 0.277 nan 8.240 nan 0.000 0.536 378 T N 4.010 118.624 114.554 0.101 0.000 2.890 378 T HA 0.217 4.567 4.350 -0.000 0.000 0.295 378 T C -0.495 174.265 174.700 0.100 0.000 0.993 378 T CA -0.937 61.205 62.100 0.071 0.000 0.979 378 T CB 1.008 69.900 68.868 0.040 0.000 0.967 378 T HN 0.470 nan 8.240 nan 0.000 0.441 379 D N 2.997 123.450 120.400 0.088 0.000 2.425 379 D HA 0.321 4.961 4.640 -0.000 0.000 0.247 379 D C 0.400 176.738 176.300 0.063 0.000 1.147 379 D CA 0.303 54.362 54.000 0.098 0.000 0.879 379 D CB 1.009 41.849 40.800 0.067 0.000 1.179 379 D HN 0.388 nan 8.370 nan 0.000 0.456 380 R N 1.155 121.692 120.500 0.061 0.000 2.604 380 R HA 0.093 4.433 4.340 -0.000 0.000 0.261 380 R C -1.336 174.982 176.300 0.030 0.000 1.080 380 R CA -0.702 55.417 56.100 0.032 0.000 0.917 380 R CB 1.396 31.703 30.300 0.013 0.000 1.252 380 R HN 0.226 nan 8.270 nan 0.000 0.456 381 E N 4.535 124.750 120.200 0.025 0.000 1.932 381 E HA 0.174 4.524 4.350 -0.000 0.000 0.275 381 E C -0.852 175.758 176.600 0.016 0.000 1.159 381 E CA -0.174 56.240 56.400 0.023 0.000 0.905 381 E CB 0.269 29.982 29.700 0.021 0.000 1.059 381 E HN 0.361 nan 8.360 nan 0.000 0.400 382 L N 3.686 124.915 121.223 0.010 0.000 2.395 382 L HA 0.303 4.643 4.340 -0.000 0.000 0.269 382 L C 0.958 177.840 176.870 0.021 0.000 1.133 382 L CA -0.350 54.498 54.840 0.013 0.000 0.812 382 L CB 1.369 43.423 42.059 -0.007 0.000 1.125 382 L HN 0.578 nan 8.230 nan 0.000 0.452 383 T N -1.335 113.236 114.554 0.028 0.000 3.028 383 T HA 0.085 4.435 4.350 -0.000 0.000 0.250 383 T C 0.313 175.034 174.700 0.034 0.000 0.979 383 T CA 0.295 62.411 62.100 0.027 0.000 1.004 383 T CB 0.634 69.516 68.868 0.023 0.000 1.120 383 T HN 0.605 nan 8.240 nan 0.000 0.482 384 T N 2.930 117.510 114.554 0.043 0.000 2.879 384 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 384 T C -0.738 174.001 174.700 0.066 0.000 0.993 384 T CA -0.696 61.434 62.100 0.049 0.000 0.975 384 T CB 2.027 70.924 68.868 0.048 0.000 0.981 384 T HN 0.216 nan 8.240 nan 0.000 0.439 385 V N 1.260 121.216 119.914 0.070 0.000 2.864 385 V HA 0.873 4.993 4.120 -0.000 0.000 0.314 385 V C -0.621 175.499 176.094 0.044 0.000 1.073 385 V CA -1.239 61.115 62.300 0.090 0.000 0.956 385 V CB 2.124 34.047 31.823 0.168 0.000 1.023 385 V HN 0.978 nan 8.190 nan 0.000 0.435 386 M N 2.976 122.568 119.600 -0.014 0.000 2.464 386 M HA 0.747 5.227 4.480 -0.000 0.000 0.308 386 M C -0.984 175.268 176.300 -0.080 0.000 1.127 386 M CA -0.270 55.018 55.300 -0.020 0.000 0.913 386 M CB 2.195 34.812 32.600 0.027 0.000 1.689 386 M HN 0.961 nan 8.290 nan 0.000 0.445 387 S N 3.081 118.747 115.700 -0.058 0.000 2.594 387 S HA 0.583 5.053 4.470 -0.000 0.000 0.296 387 S C -1.406 173.110 174.600 -0.140 0.000 1.124 387 S CA -0.767 57.374 58.200 -0.098 0.000 1.011 387 S CB 0.991 64.146 63.200 -0.075 0.000 1.016 387 S HN 0.842 nan 8.310 nan 0.000 0.485 388 N N 2.125 120.683 118.700 -0.236 0.000 2.430 388 N HA 0.512 5.252 4.740 -0.000 0.000 0.292 388 N C -1.319 173.846 175.510 -0.574 0.000 1.051 388 N CA -0.364 52.376 53.050 -0.516 0.000 0.917 388 N CB 1.819 39.832 38.487 -0.790 0.000 1.164 388 N HN 0.461 nan 8.380 nan 0.000 0.484 389 S N 1.879 117.184 115.700 -0.659 0.000 2.745 389 S HA 0.429 4.899 4.470 -0.000 0.000 0.283 389 S C -1.129 173.224 174.600 -0.412 0.000 1.170 389 S CA -0.580 57.380 58.200 -0.399 0.000 1.119 389 S CB 0.012 63.099 63.200 -0.189 0.000 1.035 389 S HN 0.274 nan 8.310 nan 0.000 0.483 390 F N 2.131 121.742 119.950 -0.565 0.000 2.291 390 F HA 0.475 5.002 4.527 -0.000 0.000 0.368 390 F C 1.076 176.610 175.800 -0.444 0.000 1.085 390 F CA -1.447 56.214 58.000 -0.565 0.000 1.165 390 F CB 0.458 39.126 39.000 -0.554 0.000 1.429 390 F HN 0.581 nan 8.300 nan 0.000 0.503 391 G N 1.882 110.729 108.800 0.078 0.000 2.403 391 G HA2 0.206 4.166 3.960 -0.000 0.000 0.259 391 G HA3 0.206 4.166 3.960 -0.000 0.000 0.259 391 G C -0.456 174.596 174.900 0.254 0.000 1.244 391 G CA -0.377 44.838 45.100 0.192 0.000 0.849 391 G HN 0.398 nan 8.290 nan 0.000 0.532 392 F N 1.851 121.901 119.950 0.167 0.000 2.604 392 F HA 0.263 4.789 4.527 -0.000 0.000 0.390 392 F C 1.440 177.317 175.800 0.129 0.000 1.053 392 F CA 1.448 59.549 58.000 0.169 0.000 1.256 392 F CB 0.567 39.703 39.000 0.227 0.000 0.996 392 F HN 1.082 nan 8.300 nan 0.000 0.564 393 G N 2.875 111.401 108.800 -0.457 0.000 2.141 393 G HA2 0.062 4.022 3.960 -0.000 0.000 0.242 393 G HA3 0.062 4.022 3.960 -0.000 0.000 0.242 393 G C 0.959 175.784 174.900 -0.126 0.000 0.982 393 G CA 0.528 45.416 45.100 -0.354 0.000 0.662 393 G HN 2.271 nan 8.290 nan 0.000 0.527 394 G N -1.384 107.387 108.800 -0.049 0.000 2.198 394 G HA2 0.120 4.080 3.960 -0.000 0.000 0.257 394 G HA3 0.120 4.080 3.960 -0.000 0.000 0.257 394 G C 0.365 175.276 174.900 0.018 0.000 1.042 394 G CA 1.421 46.512 45.100 -0.015 0.000 0.791 394 G HN 2.138 nan 8.290 nan 0.000 0.502 395 T N 0.172 114.770 114.554 0.074 0.000 2.786 395 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 395 T C -0.248 174.585 174.700 0.221 0.000 0.992 395 T CA -0.665 61.520 62.100 0.141 0.000 0.954 395 T CB 0.476 69.441 68.868 0.163 0.000 0.934 395 T HN 0.259 nan 8.240 nan 0.000 0.440 396 N N 3.045 121.884 118.700 0.231 0.000 2.314 396 N HA 0.732 5.472 4.740 -0.000 0.000 0.304 396 N C -1.082 174.552 175.510 0.207 0.000 1.073 396 N CA -0.582 52.626 53.050 0.264 0.000 0.822 396 N CB 2.088 40.700 38.487 0.208 0.000 1.280 396 N HN 0.782 nan 8.380 nan 0.000 0.489 397 A N 0.769 123.623 122.820 0.057 0.000 2.449 397 A HA 0.795 5.115 4.320 -0.000 0.000 0.302 397 A C -0.734 176.858 177.584 0.012 0.000 1.048 397 A CA -0.490 51.520 52.037 -0.045 0.000 0.708 397 A CB 1.415 20.165 19.000 -0.417 0.000 1.274 397 A HN 0.461 nan 8.150 nan 0.000 0.410 398 T N 1.849 116.456 114.554 0.088 0.000 2.916 398 T HA 0.598 4.948 4.350 -0.000 0.000 0.298 398 T C -0.944 173.833 174.700 0.129 0.000 1.031 398 T CA -0.237 61.903 62.100 0.067 0.000 0.993 398 T CB 0.956 69.890 68.868 0.111 0.000 1.045 398 T HN 0.500 nan 8.240 nan 0.000 0.454 399 L N 2.499 123.761 121.223 0.066 0.000 2.346 399 L HA 0.773 5.113 4.340 -0.000 0.000 0.276 399 L C -0.729 176.173 176.870 0.053 0.000 1.006 399 L CA -1.132 53.754 54.840 0.076 0.000 0.817 399 L CB 1.998 44.063 42.059 0.009 0.000 1.272 399 L HN 0.329 nan 8.230 nan 0.000 0.421 400 V N 3.764 123.719 119.914 0.067 0.000 2.417 400 V HA 0.517 4.637 4.120 -0.000 0.000 0.291 400 V C -0.070 176.048 176.094 0.041 0.000 1.024 400 V CA -0.348 61.986 62.300 0.056 0.000 0.861 400 V CB 1.726 33.591 31.823 0.070 0.000 0.985 400 V HN 0.712 nan 8.190 nan 0.000 0.436 401 M N 5.061 124.681 119.600 0.033 0.000 2.393 401 M HA 0.642 5.122 4.480 -0.000 0.000 0.316 401 M C -0.571 175.747 176.300 0.031 0.000 1.087 401 M CA -0.451 54.863 55.300 0.023 0.000 0.937 401 M CB 2.574 35.181 32.600 0.012 0.000 1.668 401 M HN 0.574 nan 8.290 nan 0.000 0.438 402 R N 1.864 122.379 120.500 0.025 0.000 2.621 402 R HA 0.410 4.749 4.340 -0.000 0.000 0.284 402 R C -1.047 175.263 176.300 0.017 0.000 0.998 402 R CA -0.775 55.340 56.100 0.024 0.000 0.895 402 R CB 1.931 32.244 30.300 0.023 0.000 1.195 402 R HN 0.627 nan 8.270 nan 0.000 0.450 403 K N 3.119 123.529 120.400 0.018 0.000 2.586 403 K HA -0.071 4.249 4.320 -0.000 0.000 0.280 403 K C 0.323 176.924 176.600 0.001 0.000 0.972 403 K CA 0.442 56.733 56.287 0.008 0.000 1.040 403 K CB 0.397 32.903 32.500 0.009 0.000 0.870 403 K HN 0.449 nan 8.250 nan 0.000 0.497 404 L N 0.000 121.217 121.223 -0.009 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.833 54.840 -0.011 0.000 0.813 404 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502