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 3eoj_1_A DATA FIRST_RESID 7 DATA SEQUENCE DTTTAHSDYE IILEGGSSSW GQVKGRAKVN VPAAIPLLPT DCNIRIDAKP DATA SEQUENCE LDAQKGVVRF TTKIESVVDS VKNTLNVEVD IANETKDRRI AVGEGSLSVG DATA SEQUENCE DFSHSFSFEG SVVNMYYYRS DAVRRNIPNP IYMQGRQFHD ILMKVPLDNN DATA SEQUENCE DLVDTWEGFQ QSISGGGANF GDWIREFWFI GPAFAAINEG GQRISPIVVN DATA SEQUENCE SSNVEGGXKG PVGVTRWKFS HAGSGVVDSI SRWTELFPVE QLNKPASIEG DATA SEQUENCE GFRSDSQGIE VKVDGNLPGV SRDAGGGLRR ILNHPLIPLV HHGMVGKFND DATA SEQUENCE FTVDTQLKIV LPKGYKIRYA APQFRSQNLE EYRWSGGAYA RWVEHVCKGG DATA SEQUENCE TGQFEVLYAQ 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.325 176.300 0.042 0.000 2.045 7 D CA 0.000 nan 54.000 nan 0.000 0.868 7 D CB 0.000 nan 40.800 nan 0.000 0.688 8 T N -2.102 112.481 114.554 0.048 0.000 2.899 8 T HA 0.510 4.860 4.350 0.001 0.000 0.295 8 T C 0.387 175.120 174.700 0.055 0.000 1.033 8 T CA 0.254 62.382 62.100 0.046 0.000 1.084 8 T CB 0.794 69.689 68.868 0.045 0.000 0.979 8 T HN 0.620 nan 8.240 nan 0.000 0.532 9 T N 3.333 117.921 114.554 0.058 0.000 2.727 9 T HA 0.454 4.804 4.350 0.001 0.000 0.298 9 T C -0.147 174.597 174.700 0.073 0.000 0.942 9 T CA -0.409 61.736 62.100 0.074 0.000 0.997 9 T CB 0.413 69.341 68.868 0.099 0.000 0.917 9 T HN 0.770 nan 8.240 nan 0.000 0.487 10 T N 2.876 117.439 114.554 0.015 0.000 2.848 10 T HA 0.632 4.982 4.350 0.001 0.000 0.285 10 T C -0.175 174.381 174.700 -0.239 0.000 0.995 10 T CA -0.662 61.370 62.100 -0.114 0.000 0.970 10 T CB 1.493 70.218 68.868 -0.238 0.000 0.976 10 T HN 0.640 nan 8.240 nan 0.000 0.441 11 A N 3.531 126.239 122.820 -0.186 0.000 2.260 11 A HA 0.560 4.880 4.320 0.001 0.000 0.308 11 A C -0.286 177.138 177.584 -0.267 0.000 1.254 11 A CA -0.609 51.298 52.037 -0.217 0.000 0.874 11 A CB 0.138 18.985 19.000 -0.255 0.000 1.153 11 A HN 0.883 nan 8.150 nan 0.000 0.527 12 H N 1.978 121.050 119.070 0.004 0.000 2.476 12 H HA 0.589 5.146 4.556 0.001 0.000 0.328 12 H C -0.160 175.147 175.328 -0.035 0.000 1.073 12 H CA 0.184 56.232 56.048 0.001 0.000 1.229 12 H CB 1.630 31.394 29.762 0.004 0.000 1.432 12 H HN 0.793 nan 8.280 nan 0.000 0.477 13 S N 3.215 118.929 115.700 0.025 0.000 2.570 13 S HA 0.453 4.923 4.470 0.001 0.000 0.270 13 S C -1.341 173.056 174.600 -0.339 0.000 1.149 13 S CA -1.071 57.035 58.200 -0.157 0.000 0.837 13 S CB 3.089 66.181 63.200 -0.179 0.000 1.124 13 S HN 0.547 nan 8.310 nan 0.000 0.465 14 D N 0.798 120.887 120.400 -0.518 0.000 2.964 14 D HA 0.437 5.077 4.640 0.001 0.000 0.234 14 D C -1.760 174.256 176.300 -0.472 0.000 1.223 14 D CA -0.093 53.660 54.000 -0.411 0.000 0.889 14 D CB 1.882 42.607 40.800 -0.124 0.000 1.609 14 D HN 0.545 nan 8.370 nan 0.000 0.523 15 Y N 0.281 120.666 120.300 0.143 0.000 2.477 15 Y HA 0.464 5.015 4.550 0.001 0.000 0.347 15 Y C 0.097 176.059 175.900 0.104 0.000 0.981 15 Y CA -0.921 57.254 58.100 0.126 0.000 1.033 15 Y CB 2.206 40.762 38.460 0.161 0.000 1.245 15 Y HN 0.203 nan 8.280 nan 0.000 0.455 16 E N 2.876 123.213 120.200 0.227 0.000 2.308 16 E HA 0.678 5.028 4.350 0.001 0.000 0.275 16 E C -1.919 174.743 176.600 0.104 0.000 0.890 16 E CA -0.598 55.889 56.400 0.144 0.000 0.754 16 E CB 1.871 31.631 29.700 0.101 0.000 1.207 16 E HN 0.709 nan 8.360 nan 0.000 0.426 17 I N 5.092 125.704 120.570 0.070 0.000 2.466 17 I HA 0.427 4.597 4.170 0.001 0.000 0.289 17 I C -0.546 175.577 176.117 0.010 0.000 1.026 17 I CA -0.806 60.509 61.300 0.025 0.000 1.078 17 I CB 1.721 39.710 38.000 -0.020 0.000 1.249 17 I HN 0.422 nan 8.210 nan 0.000 0.429 18 I N 6.842 127.415 120.570 0.005 0.000 2.410 18 I HA 0.406 4.577 4.170 0.001 0.000 0.286 18 I C -0.521 175.580 176.117 -0.026 0.000 1.009 18 I CA -0.455 60.838 61.300 -0.012 0.000 1.111 18 I CB 1.501 39.503 38.000 0.003 0.000 1.262 18 I HN 0.320 nan 8.210 nan 0.000 0.443 19 L N 5.541 126.717 121.223 -0.078 0.000 2.325 19 L HA 0.458 4.798 4.340 0.001 0.000 0.279 19 L C 0.285 177.104 176.870 -0.085 0.000 1.054 19 L CA -0.830 53.957 54.840 -0.088 0.000 0.804 19 L CB 1.072 43.008 42.059 -0.206 0.000 1.200 19 L HN 0.484 nan 8.230 nan 0.000 0.436 20 E N 1.128 121.314 120.200 -0.024 0.000 2.319 20 E HA 0.415 4.765 4.350 0.001 0.000 0.268 20 E C 0.078 176.631 176.600 -0.079 0.000 1.050 20 E CA -0.189 56.188 56.400 -0.039 0.000 0.878 20 E CB 1.810 31.519 29.700 0.015 0.000 1.066 20 E HN 0.739 nan 8.360 nan 0.000 0.406 21 G N -0.516 108.217 108.800 -0.111 0.000 2.857 21 G HA2 0.554 4.514 3.960 0.001 0.000 0.217 21 G HA3 0.554 4.514 3.960 0.001 0.000 0.217 21 G C 0.452 175.379 174.900 0.044 0.000 1.357 21 G CA 0.108 45.130 45.100 -0.129 0.000 1.033 21 G HN 0.649 nan 8.290 nan 0.000 0.571 22 G N -0.452 108.445 108.800 0.161 0.000 2.556 22 G HA2 -0.180 3.781 3.960 0.001 0.000 0.283 22 G HA3 -0.180 3.781 3.960 0.001 0.000 0.283 22 G C 1.506 176.477 174.900 0.118 0.000 1.177 22 G CA 1.692 46.875 45.100 0.138 0.000 0.978 22 G HN 1.968 nan 8.290 nan 0.000 0.554 23 S N -0.542 115.207 115.700 0.081 0.000 2.575 23 S HA 0.535 5.005 4.470 0.001 0.000 0.215 23 S C 1.036 175.690 174.600 0.090 0.000 0.966 23 S CA 1.214 59.458 58.200 0.074 0.000 0.911 23 S CB 0.359 63.590 63.200 0.053 0.000 0.780 23 S HN 1.569 nan 8.310 nan 0.000 0.514 24 S N 1.910 117.672 115.700 0.103 0.000 2.565 24 S HA 0.390 4.860 4.470 0.001 0.000 0.274 24 S C 0.994 175.701 174.600 0.178 0.000 1.309 24 S CA -0.122 58.180 58.200 0.171 0.000 1.043 24 S CB 0.969 64.253 63.200 0.140 0.000 0.939 24 S HN 0.524 nan 8.310 nan 0.000 0.504 25 S N 3.343 119.170 115.700 0.212 0.000 2.557 25 S HA 0.225 4.696 4.470 0.001 0.000 0.223 25 S C -0.152 174.519 174.600 0.118 0.000 0.969 25 S CA -0.751 57.518 58.200 0.115 0.000 0.927 25 S CB -0.240 62.970 63.200 0.017 0.000 0.806 25 S HN 0.672 nan 8.310 nan 0.000 0.489 26 W N 1.712 123.000 121.300 -0.019 0.000 2.150 26 W HA 0.615 5.275 4.660 0.000 0.000 0.341 26 W C 0.880 177.380 176.519 -0.032 0.000 1.276 26 W CA 0.626 57.956 57.345 -0.024 0.000 1.238 26 W CB 0.339 29.785 29.460 -0.025 0.000 1.128 26 W HN 0.326 nan 8.180 nan 0.000 0.581 27 G N 0.742 109.659 108.800 0.195 0.000 2.690 27 G HA2 0.511 4.472 3.960 0.001 0.000 0.293 27 G HA3 0.511 4.472 3.960 0.001 0.000 0.293 27 G C -1.793 173.178 174.900 0.118 0.000 1.399 27 G CA -1.056 44.112 45.100 0.113 0.000 0.890 27 G HN 0.353 nan 8.290 nan 0.000 0.485 28 Q N -0.307 119.545 119.800 0.086 0.000 2.256 28 Q HA 0.522 4.862 4.340 0.001 0.000 0.254 28 Q C -0.067 175.963 176.000 0.051 0.000 0.916 28 Q CA -0.699 55.148 55.803 0.073 0.000 0.932 28 Q CB 2.325 31.099 28.738 0.061 0.000 1.207 28 Q HN 0.596 nan 8.270 nan 0.000 0.426 29 V N -0.447 119.498 119.914 0.050 0.000 2.656 29 V HA 0.736 4.857 4.120 0.001 0.000 0.307 29 V C -0.845 175.291 176.094 0.070 0.000 1.051 29 V CA -0.925 61.406 62.300 0.052 0.000 0.893 29 V CB 1.844 33.686 31.823 0.031 0.000 0.999 29 V HN 0.715 nan 8.190 nan 0.000 0.426 30 K N 2.348 122.806 120.400 0.096 0.000 2.464 30 K HA 0.840 5.161 4.320 0.001 0.000 0.253 30 K C -0.467 176.240 176.600 0.179 0.000 0.933 30 K CA -0.135 56.219 56.287 0.111 0.000 0.801 30 K CB 2.346 34.899 32.500 0.089 0.000 1.271 30 K HN 1.300 nan 8.250 nan 0.000 0.430 31 G N 2.970 111.881 108.800 0.185 0.000 2.667 31 G HA2 0.579 4.539 3.960 0.001 0.000 0.298 31 G HA3 0.579 4.539 3.960 0.001 0.000 0.298 31 G C -1.522 173.482 174.900 0.173 0.000 1.377 31 G CA -0.717 44.556 45.100 0.287 0.000 0.964 31 G HN 0.447 nan 8.290 nan 0.000 0.493 32 R N -0.021 120.550 120.500 0.118 0.000 2.604 32 R HA 0.793 5.134 4.340 0.001 0.000 0.281 32 R C -1.106 175.219 176.300 0.042 0.000 1.020 32 R CA -0.823 55.318 56.100 0.068 0.000 0.899 32 R CB 2.446 32.764 30.300 0.030 0.000 1.205 32 R HN 0.922 nan 8.270 nan 0.000 0.450 33 A N 2.154 125.015 122.820 0.068 0.000 2.549 33 A HA 0.698 5.019 4.320 0.001 0.000 0.297 33 A C -1.379 176.244 177.584 0.065 0.000 1.061 33 A CA -0.827 51.245 52.037 0.058 0.000 0.690 33 A CB 2.043 21.084 19.000 0.069 0.000 1.287 33 A HN 0.607 nan 8.150 nan 0.000 0.402 34 K N 0.417 120.864 120.400 0.079 0.000 2.513 34 K HA 0.656 4.976 4.320 0.001 0.000 0.251 34 K C -1.857 174.801 176.600 0.098 0.000 0.939 34 K CA -0.654 55.688 56.287 0.092 0.000 0.793 34 K CB 2.648 35.209 32.500 0.101 0.000 1.241 34 K HN 0.632 nan 8.250 nan 0.000 0.431 35 V N 3.409 123.354 119.914 0.053 0.000 2.777 35 V HA 0.290 4.410 4.120 0.001 0.000 0.306 35 V C -1.356 174.757 176.094 0.031 0.000 1.112 35 V CA -0.809 61.499 62.300 0.014 0.000 0.917 35 V CB 1.936 33.706 31.823 -0.087 0.000 1.018 35 V HN 0.890 nan 8.190 nan 0.000 0.426 36 N N 5.976 124.704 118.700 0.047 0.000 3.303 36 N HA 0.181 4.921 4.740 0.001 0.000 0.304 36 N C -0.528 175.007 175.510 0.041 0.000 1.302 36 N CA 0.129 53.210 53.050 0.052 0.000 1.213 36 N CB 0.690 39.217 38.487 0.067 0.000 1.481 36 N HN 0.729 nan 8.380 nan 0.000 0.546 37 V N -3.416 116.516 119.914 0.030 0.000 3.040 37 V HA 0.743 4.864 4.120 0.001 0.000 0.312 37 V C -2.791 173.321 176.094 0.030 0.000 1.115 37 V CA -2.486 59.834 62.300 0.034 0.000 0.998 37 V CB 2.212 34.055 31.823 0.034 0.000 1.042 37 V HN 0.015 nan 8.190 nan 0.000 0.433 38 P HA 0.338 nan 4.420 nan 0.000 0.271 38 P C -0.112 177.203 177.300 0.026 0.000 1.218 38 P CA 0.289 63.404 63.100 0.024 0.000 0.780 38 P CB 0.993 32.701 31.700 0.014 0.000 0.901 39 A N 2.680 125.510 122.820 0.016 0.000 2.346 39 A HA 0.434 4.754 4.320 0.001 0.000 0.252 39 A C 1.452 179.044 177.584 0.013 0.000 1.089 39 A CA 0.223 52.263 52.037 0.006 0.000 0.797 39 A CB -0.294 18.698 19.000 -0.014 0.000 1.047 39 A HN 0.551 nan 8.150 nan 0.000 0.494 40 A N 0.858 123.692 122.820 0.024 0.000 2.251 40 A HA 0.314 4.635 4.320 0.001 0.000 0.209 40 A C 0.680 178.258 177.584 -0.009 0.000 1.187 40 A CA -0.043 52.000 52.037 0.011 0.000 0.823 40 A CB -0.319 18.744 19.000 0.105 0.000 0.846 40 A HN 0.623 nan 8.150 nan 0.000 0.486 41 I N 1.238 121.809 120.570 0.003 0.000 2.683 41 I HA 0.050 4.220 4.170 0.001 0.000 0.286 41 I C -1.448 174.670 176.117 0.001 0.000 1.175 41 I CA -1.749 59.557 61.300 0.011 0.000 1.429 41 I CB -0.151 37.871 38.000 0.037 0.000 1.371 41 I HN 0.120 nan 8.210 nan 0.000 0.569 42 P HA 0.144 nan 4.420 nan 0.000 0.249 42 P C -0.134 177.165 177.300 -0.002 0.000 1.241 42 P CA 0.570 63.662 63.100 -0.013 0.000 0.781 42 P CB 0.442 32.129 31.700 -0.021 0.000 1.088 43 L N 0.336 121.566 121.223 0.012 0.000 2.406 43 L HA 0.496 4.836 4.340 0.001 0.000 0.272 43 L C -0.332 176.557 176.870 0.032 0.000 0.980 43 L CA -0.629 54.222 54.840 0.019 0.000 0.831 43 L CB 2.169 44.242 42.059 0.022 0.000 1.253 43 L HN -0.196 nan 8.230 nan 0.000 0.406 44 L N 3.395 124.636 121.223 0.030 0.000 2.393 44 L HA 0.641 4.982 4.340 0.001 0.000 0.260 44 L C -2.305 174.586 176.870 0.035 0.000 1.002 44 L CA -1.811 53.053 54.840 0.040 0.000 0.818 44 L CB 2.502 44.581 42.059 0.034 0.000 1.369 44 L HN 0.337 nan 8.230 nan 0.000 0.412 45 P HA 0.263 nan 4.420 nan 0.000 0.270 45 P C -1.009 176.335 177.300 0.074 0.000 1.223 45 P CA -0.200 62.936 63.100 0.059 0.000 0.785 45 P CB 0.655 32.386 31.700 0.052 0.000 0.923 46 T N 1.889 116.514 114.554 0.117 0.000 2.937 46 T HA 0.383 4.733 4.350 0.001 0.000 0.297 46 T C -1.211 173.616 174.700 0.211 0.000 0.991 46 T CA -0.525 61.666 62.100 0.153 0.000 0.990 46 T CB 0.860 69.846 68.868 0.197 0.000 0.991 46 T HN 0.276 nan 8.240 nan 0.000 0.440 47 D N 1.215 121.635 120.400 0.034 0.000 2.527 47 D HA 0.670 5.310 4.640 0.001 0.000 0.233 47 D C -0.908 175.120 176.300 -0.454 0.000 1.063 47 D CA -0.240 53.650 54.000 -0.183 0.000 0.880 47 D CB 2.102 42.843 40.800 -0.099 0.000 1.457 47 D HN 0.564 nan 8.370 nan 0.000 0.475 48 C N 1.599 120.360 119.300 -0.897 0.000 3.090 48 C HA 0.524 4.984 4.460 0.001 0.000 0.347 48 C C -1.818 172.874 174.990 -0.496 0.000 1.147 48 C CA -0.499 58.113 59.018 -0.677 0.000 1.305 48 C CB 1.112 28.405 27.740 -0.745 0.000 1.692 48 C HN 0.564 nan 8.230 nan 0.000 0.506 49 N N 3.082 121.643 118.700 -0.232 0.000 2.258 49 N HA 0.740 5.481 4.740 0.001 0.000 0.299 49 N C -1.288 174.187 175.510 -0.057 0.000 1.047 49 N CA -0.267 52.712 53.050 -0.119 0.000 0.814 49 N CB 2.103 40.544 38.487 -0.077 0.000 1.413 49 N HN 0.854 nan 8.380 nan 0.000 0.478 50 I N 0.386 120.946 120.570 -0.016 0.000 2.582 50 I HA 0.510 4.680 4.170 0.001 0.000 0.292 50 I C -0.992 175.129 176.117 0.005 0.000 1.066 50 I CA -0.840 60.466 61.300 0.010 0.000 1.053 50 I CB 1.835 39.862 38.000 0.044 0.000 1.241 50 I HN 0.374 nan 8.210 nan 0.000 0.421 51 R N 7.738 128.234 120.500 -0.006 0.000 2.575 51 R HA 0.715 5.055 4.340 0.001 0.000 0.293 51 R C -2.003 174.260 176.300 -0.062 0.000 0.983 51 R CA -0.549 55.537 56.100 -0.024 0.000 0.887 51 R CB 1.615 31.901 30.300 -0.024 0.000 1.184 51 R HN 0.644 nan 8.270 nan 0.000 0.445 52 I N 2.877 123.388 120.570 -0.099 0.000 2.498 52 I HA 0.384 4.554 4.170 0.001 0.000 0.290 52 I C -1.091 174.886 176.117 -0.233 0.000 1.032 52 I CA -0.832 60.328 61.300 -0.233 0.000 1.073 52 I CB 2.422 40.282 38.000 -0.234 0.000 1.251 52 I HN 0.633 nan 8.210 nan 0.000 0.426 53 D N 4.178 124.387 120.400 -0.318 0.000 2.671 53 D HA 0.787 5.427 4.640 0.001 0.000 0.232 53 D C -0.997 175.171 176.300 -0.221 0.000 1.114 53 D CA -0.321 53.566 54.000 -0.189 0.000 0.858 53 D CB 2.451 43.191 40.800 -0.101 0.000 1.544 53 D HN 0.657 nan 8.370 nan 0.000 0.471 54 A N 1.677 124.458 122.820 -0.065 0.000 2.455 54 A HA 0.731 5.052 4.320 0.001 0.000 0.300 54 A C -1.250 176.382 177.584 0.081 0.000 1.040 54 A CA -0.882 51.182 52.037 0.044 0.000 0.697 54 A CB 1.313 20.389 19.000 0.128 0.000 1.265 54 A HN 0.545 nan 8.150 nan 0.000 0.407 55 K N 1.756 122.216 120.400 0.100 0.000 2.508 55 K HA 0.769 5.089 4.320 0.001 0.000 0.260 55 K C -3.251 173.407 176.600 0.096 0.000 0.949 55 K CA -1.950 54.394 56.287 0.095 0.000 0.834 55 K CB 2.796 35.338 32.500 0.071 0.000 1.365 55 K HN 0.345 nan 8.250 nan 0.000 0.437 56 P HA 0.112 nan 4.420 nan 0.000 0.275 56 P C -0.512 176.823 177.300 0.059 0.000 1.227 56 P CA -0.366 62.775 63.100 0.069 0.000 0.781 56 P CB 0.715 32.449 31.700 0.057 0.000 0.906 57 L N 1.966 123.224 121.223 0.057 0.000 2.313 57 L HA 0.133 4.473 4.340 0.001 0.000 0.282 57 L C 2.058 178.948 176.870 0.033 0.000 1.092 57 L CA 0.386 55.252 54.840 0.044 0.000 0.831 57 L CB 0.234 42.321 42.059 0.047 0.000 1.159 57 L HN 0.494 nan 8.230 nan 0.000 0.442 58 D N 3.139 123.555 120.400 0.026 0.000 2.158 58 D HA -0.137 4.503 4.640 0.001 0.000 0.197 58 D C 1.491 177.801 176.300 0.017 0.000 0.995 58 D CA 1.684 55.696 54.000 0.019 0.000 0.846 58 D CB 0.122 40.930 40.800 0.014 0.000 0.941 58 D HN 0.725 nan 8.370 nan 0.000 0.456 59 A N -1.216 121.614 122.820 0.017 0.000 2.465 59 A HA 0.421 4.742 4.320 0.001 0.000 0.255 59 A C 0.572 178.165 177.584 0.015 0.000 1.274 59 A CA -0.002 52.044 52.037 0.014 0.000 0.920 59 A CB 0.282 19.288 19.000 0.010 0.000 1.033 59 A HN 0.446 nan 8.150 nan 0.000 0.516 60 Q N 0.568 120.380 119.800 0.020 0.000 2.397 60 Q HA 0.157 4.497 4.340 0.001 0.000 0.260 60 Q C -0.849 175.168 176.000 0.028 0.000 1.002 60 Q CA -0.567 55.250 55.803 0.023 0.000 0.716 60 Q CB 1.958 30.712 28.738 0.027 0.000 1.258 60 Q HN 0.113 nan 8.270 nan 0.000 0.477 61 K N 0.757 121.171 120.400 0.023 0.000 2.437 61 K HA 0.078 4.398 4.320 0.001 0.000 0.277 61 K C 1.080 177.697 176.600 0.028 0.000 1.073 61 K CA 1.454 57.754 56.287 0.021 0.000 1.105 61 K CB -0.530 31.980 32.500 0.017 0.000 0.881 61 K HN 0.985 nan 8.250 nan 0.000 0.475 62 G N 2.121 110.936 108.800 0.025 0.000 2.168 62 G HA2 -0.248 3.712 3.960 0.001 0.000 0.263 62 G HA3 -0.248 3.712 3.960 0.001 0.000 0.263 62 G C 0.095 175.039 174.900 0.072 0.000 0.977 62 G CA 0.294 45.412 45.100 0.030 0.000 0.659 62 G HN 0.887 nan 8.290 nan 0.000 0.533 63 V N 0.388 120.347 119.914 0.075 0.000 2.481 63 V HA 0.651 4.771 4.120 0.001 0.000 0.286 63 V C 0.529 176.697 176.094 0.124 0.000 1.042 63 V CA -0.810 61.553 62.300 0.106 0.000 0.928 63 V CB 1.914 33.779 31.823 0.070 0.000 0.986 63 V HN 0.212 nan 8.190 nan 0.000 0.462 64 V N 4.920 124.950 119.914 0.192 0.000 2.495 64 V HA 0.493 4.613 4.120 0.001 0.000 0.298 64 V C 0.092 176.304 176.094 0.197 0.000 1.031 64 V CA -0.839 61.589 62.300 0.214 0.000 0.871 64 V CB 1.816 33.855 31.823 0.360 0.000 0.988 64 V HN 0.883 nan 8.190 nan 0.000 0.432 65 R N 3.948 124.547 120.500 0.165 0.000 2.196 65 R HA 0.446 4.786 4.340 0.001 0.000 0.340 65 R C -1.315 175.114 176.300 0.216 0.000 1.043 65 R CA -0.292 55.904 56.100 0.159 0.000 0.883 65 R CB 0.524 30.883 30.300 0.097 0.000 1.078 65 R HN 0.633 nan 8.270 nan 0.000 0.462 66 F N 4.403 124.400 119.950 0.078 0.000 2.444 66 F HA 0.458 4.986 4.527 0.001 0.000 0.342 66 F C -0.712 175.136 175.800 0.079 0.000 1.121 66 F CA -0.270 57.779 58.000 0.083 0.000 0.997 66 F CB 1.714 40.767 39.000 0.088 0.000 1.130 66 F HN 0.586 nan 8.300 nan 0.000 0.454 67 T N 1.524 115.967 114.554 -0.184 0.000 2.900 67 T HA 0.700 5.050 4.350 0.001 0.000 0.295 67 T C -0.821 173.747 174.700 -0.221 0.000 1.044 67 T CA -0.724 61.339 62.100 -0.062 0.000 0.995 67 T CB 1.819 70.670 68.868 -0.029 0.000 1.072 67 T HN 0.532 nan 8.240 nan 0.000 0.473 68 T N 1.242 115.787 114.554 -0.015 0.000 2.916 68 T HA 0.694 5.045 4.350 0.001 0.000 0.298 68 T C -1.198 173.525 174.700 0.039 0.000 1.031 68 T CA -0.791 61.308 62.100 -0.002 0.000 0.993 68 T CB 1.853 70.797 68.868 0.127 0.000 1.045 68 T HN 0.705 nan 8.240 nan 0.000 0.454 69 K N 3.540 123.950 120.400 0.016 0.000 2.471 69 K HA 0.746 5.066 4.320 0.001 0.000 0.252 69 K C -1.424 175.189 176.600 0.022 0.000 0.938 69 K CA -0.660 55.640 56.287 0.023 0.000 0.796 69 K CB 0.775 33.277 32.500 0.004 0.000 1.161 69 K HN 0.657 nan 8.250 nan 0.000 0.425 70 I N 3.207 123.795 120.570 0.031 0.000 2.465 70 I HA 0.484 4.654 4.170 0.001 0.000 0.291 70 I C -0.294 175.826 176.117 0.006 0.000 1.014 70 I CA -0.786 60.527 61.300 0.021 0.000 1.093 70 I CB 2.345 40.371 38.000 0.043 0.000 1.267 70 I HN 0.652 nan 8.210 nan 0.000 0.431 71 E N 4.083 124.271 120.200 -0.019 0.000 2.256 71 E HA 0.571 4.921 4.350 0.001 0.000 0.268 71 E C -1.228 175.337 176.600 -0.058 0.000 0.877 71 E CA -0.628 55.756 56.400 -0.026 0.000 0.757 71 E CB 2.353 32.037 29.700 -0.027 0.000 1.183 71 E HN 0.651 nan 8.360 nan 0.000 0.418 72 S N 0.425 116.100 115.700 -0.043 0.000 2.627 72 S HA 0.780 5.251 4.470 0.001 0.000 0.283 72 S C -0.935 173.644 174.600 -0.034 0.000 1.127 72 S CA -0.799 57.362 58.200 -0.064 0.000 0.863 72 S CB 1.576 64.752 63.200 -0.040 0.000 1.121 72 S HN 0.192 nan 8.310 nan 0.000 0.479 73 V N 1.310 121.203 119.914 -0.036 0.000 2.525 73 V HA 0.620 4.740 4.120 0.001 0.000 0.299 73 V C -1.069 175.034 176.094 0.015 0.000 1.034 73 V CA -0.609 61.688 62.300 -0.006 0.000 0.863 73 V CB 1.537 33.355 31.823 -0.009 0.000 0.999 73 V HN 0.832 nan 8.190 nan 0.000 0.423 74 V N 3.294 123.224 119.914 0.027 0.000 2.409 74 V HA 0.436 4.556 4.120 0.001 0.000 0.290 74 V C 0.218 176.331 176.094 0.033 0.000 1.017 74 V CA -0.405 61.919 62.300 0.040 0.000 0.841 74 V CB 1.241 33.091 31.823 0.045 0.000 1.003 74 V HN 1.035 nan 8.190 nan 0.000 0.426 75 D N 4.089 124.509 120.400 0.033 0.000 2.689 75 D HA -0.231 4.409 4.640 0.001 0.000 0.237 75 D C 0.939 177.252 176.300 0.022 0.000 1.148 75 D CA 1.328 55.344 54.000 0.026 0.000 0.656 75 D CB -0.903 39.911 40.800 0.022 0.000 1.050 75 D HN 0.946 nan 8.370 nan 0.000 0.426 76 S N -3.412 112.301 115.700 0.022 0.000 2.929 76 S HA -0.235 4.235 4.470 0.001 0.000 0.271 76 S C 0.434 175.045 174.600 0.019 0.000 1.295 76 S CA 0.709 58.920 58.200 0.018 0.000 1.277 76 S CB -1.155 62.055 63.200 0.017 0.000 1.557 76 S HN 0.469 nan 8.310 nan 0.000 0.666 77 V N 2.590 122.517 119.914 0.022 0.000 2.461 77 V HA 0.256 4.376 4.120 0.001 0.000 0.275 77 V C 0.599 176.707 176.094 0.024 0.000 1.047 77 V CA -0.182 62.134 62.300 0.026 0.000 0.955 77 V CB 1.353 33.195 31.823 0.031 0.000 0.988 77 V HN 0.218 nan 8.190 nan 0.000 0.471 78 K N 4.692 125.106 120.400 0.024 0.000 2.258 78 K HA 0.411 4.732 4.320 0.001 0.000 0.284 78 K C -0.505 176.112 176.600 0.028 0.000 1.051 78 K CA -0.404 55.895 56.287 0.019 0.000 0.923 78 K CB 0.626 33.135 32.500 0.015 0.000 1.046 78 K HN 0.635 nan 8.250 nan 0.000 0.474 79 N N 1.546 120.260 118.700 0.023 0.000 2.292 79 N HA 0.379 5.119 4.740 0.001 0.000 0.303 79 N C -0.753 174.770 175.510 0.022 0.000 1.140 79 N CA -0.589 52.480 53.050 0.032 0.000 0.788 79 N CB 2.238 40.747 38.487 0.037 0.000 1.361 79 N HN 0.640 nan 8.380 nan 0.000 0.489 80 T N -2.097 112.474 114.554 0.028 0.000 2.900 80 T HA 0.696 5.047 4.350 0.001 0.000 0.303 80 T C -1.216 173.509 174.700 0.041 0.000 1.142 80 T CA -0.776 61.339 62.100 0.024 0.000 1.007 80 T CB 1.648 70.523 68.868 0.012 0.000 1.156 80 T HN 0.323 nan 8.240 nan 0.000 0.490 81 L N 2.162 123.416 121.223 0.052 0.000 2.464 81 L HA 0.711 5.051 4.340 0.001 0.000 0.266 81 L C -1.636 175.286 176.870 0.087 0.000 0.965 81 L CA -0.472 54.423 54.840 0.091 0.000 0.833 81 L CB 2.167 44.292 42.059 0.111 0.000 1.296 81 L HN 1.022 nan 8.230 nan 0.000 0.405 82 N N 4.133 122.891 118.700 0.097 0.000 2.249 82 N HA 0.688 5.428 4.740 0.001 0.000 0.296 82 N C -1.838 173.747 175.510 0.126 0.000 1.051 82 N CA -0.520 52.576 53.050 0.076 0.000 0.815 82 N CB 2.448 40.944 38.487 0.015 0.000 1.487 82 N HN 0.397 nan 8.380 nan 0.000 0.475 83 V N 0.524 120.540 119.914 0.169 0.000 2.808 83 V HA 0.455 4.575 4.120 0.001 0.000 0.308 83 V C -0.611 175.613 176.094 0.216 0.000 1.099 83 V CA -0.729 61.728 62.300 0.262 0.000 0.920 83 V CB 1.945 34.014 31.823 0.410 0.000 1.014 83 V HN 0.847 nan 8.190 nan 0.000 0.425 84 E N 3.007 123.321 120.200 0.191 0.000 2.224 84 E HA 0.783 5.133 4.350 0.001 0.000 0.265 84 E C -1.980 174.721 176.600 0.169 0.000 0.878 84 E CA -0.462 56.032 56.400 0.157 0.000 0.759 84 E CB 2.281 32.024 29.700 0.071 0.000 1.164 84 E HN 0.517 nan 8.360 nan 0.000 0.414 85 V N 3.169 123.207 119.914 0.207 0.000 2.808 85 V HA 0.298 4.418 4.120 0.001 0.000 0.308 85 V C -1.083 175.078 176.094 0.111 0.000 1.099 85 V CA -1.117 61.270 62.300 0.144 0.000 0.920 85 V CB 2.142 34.118 31.823 0.254 0.000 1.014 85 V HN 0.694 nan 8.190 nan 0.000 0.425 86 D N 4.046 124.462 120.400 0.026 0.000 2.274 86 D HA 0.659 5.300 4.640 0.001 0.000 0.239 86 D C -0.513 175.789 176.300 0.004 0.000 1.104 86 D CA 0.132 54.154 54.000 0.036 0.000 0.840 86 D CB 1.897 42.704 40.800 0.012 0.000 1.100 86 D HN 0.393 nan 8.370 nan 0.000 0.477 87 I N 1.195 121.776 120.570 0.018 0.000 2.509 87 I HA 0.693 4.864 4.170 0.001 0.000 0.293 87 I C -0.351 175.786 176.117 0.033 0.000 1.020 87 I CA -0.890 60.353 61.300 -0.096 0.000 1.088 87 I CB 2.023 39.815 38.000 -0.347 0.000 1.267 87 I HN 0.309 nan 8.210 nan 0.000 0.430 88 A N 4.759 127.578 122.820 -0.003 0.000 2.520 88 A HA 0.596 4.917 4.320 0.001 0.000 0.298 88 A C -1.279 176.365 177.584 0.100 0.000 1.051 88 A CA -0.812 51.304 52.037 0.131 0.000 0.690 88 A CB 1.417 20.470 19.000 0.089 0.000 1.281 88 A HN 0.647 nan 8.150 nan 0.000 0.402 89 N N 1.135 119.951 118.700 0.193 0.000 2.520 89 N HA 0.188 4.928 4.740 0.001 0.000 0.273 89 N C 0.565 176.128 175.510 0.089 0.000 1.155 89 N CA 0.026 53.154 53.050 0.131 0.000 0.967 89 N CB 1.621 40.193 38.487 0.143 0.000 1.092 89 N HN 0.782 nan 8.380 nan 0.000 0.457 90 E N -0.092 120.154 120.200 0.078 0.000 2.127 90 E HA -0.004 4.346 4.350 0.001 0.000 0.191 90 E C 0.371 177.006 176.600 0.059 0.000 0.964 90 E CA 0.748 57.182 56.400 0.056 0.000 0.832 90 E CB 0.401 30.125 29.700 0.041 0.000 0.790 90 E HN 0.752 nan 8.360 nan 0.000 0.465 91 T N -2.027 112.575 114.554 0.079 0.000 2.804 91 T HA 0.202 4.552 4.350 0.001 0.000 0.290 91 T C 0.606 175.382 174.700 0.126 0.000 1.099 91 T CA -0.802 61.346 62.100 0.080 0.000 1.011 91 T CB 1.583 70.486 68.868 0.058 0.000 1.291 91 T HN -0.001 nan 8.240 nan 0.000 0.523 92 K N -0.041 120.432 120.400 0.122 0.000 2.360 92 K HA -0.074 4.246 4.320 0.001 0.000 0.201 92 K C 0.541 177.317 176.600 0.292 0.000 1.046 92 K CA 1.572 57.965 56.287 0.177 0.000 0.945 92 K CB -0.182 32.401 32.500 0.139 0.000 0.750 92 K HN 0.490 nan 8.250 nan 0.000 0.464 93 D N 0.279 120.799 120.400 0.199 0.000 2.422 93 D HA 0.009 4.650 4.640 0.001 0.000 0.218 93 D C 0.149 176.523 176.300 0.123 0.000 1.047 93 D CA 0.242 54.304 54.000 0.103 0.000 0.885 93 D CB 0.432 41.203 40.800 -0.049 0.000 1.035 93 D HN 0.141 nan 8.370 nan 0.000 0.502 94 R N 0.993 121.596 120.500 0.171 0.000 2.437 94 R HA 0.454 4.794 4.340 0.001 0.000 0.310 94 R C -0.758 175.658 176.300 0.193 0.000 0.955 94 R CA -0.527 55.648 56.100 0.126 0.000 0.851 94 R CB 1.852 32.173 30.300 0.035 0.000 1.161 94 R HN -0.168 nan 8.270 nan 0.000 0.446 95 R N 4.958 125.591 120.500 0.221 0.000 2.740 95 R HA 0.539 4.880 4.340 0.001 0.000 0.282 95 R C -0.786 175.530 176.300 0.026 0.000 0.969 95 R CA -0.722 55.448 56.100 0.116 0.000 0.918 95 R CB 1.233 31.590 30.300 0.095 0.000 1.175 95 R HN 0.696 nan 8.270 nan 0.000 0.464 96 I N -0.395 120.163 120.570 -0.020 0.000 2.785 96 I HA 0.900 5.070 4.170 0.001 0.000 0.302 96 I C -1.157 174.931 176.117 -0.048 0.000 1.069 96 I CA -1.069 60.217 61.300 -0.024 0.000 1.045 96 I CB 2.500 40.495 38.000 -0.009 0.000 1.236 96 I HN 0.659 nan 8.210 nan 0.000 0.429 97 A N 3.560 126.369 122.820 -0.018 0.000 2.549 97 A HA 0.827 5.147 4.320 0.001 0.000 0.297 97 A C -1.596 175.957 177.584 -0.052 0.000 1.061 97 A CA -0.711 51.322 52.037 -0.006 0.000 0.690 97 A CB 2.123 21.184 19.000 0.101 0.000 1.287 97 A HN 0.955 nan 8.150 nan 0.000 0.402 98 V N 1.126 120.936 119.914 -0.173 0.000 2.733 98 V HA 0.921 5.041 4.120 0.001 0.000 0.306 98 V C -0.029 175.750 176.094 -0.526 0.000 1.084 98 V CA 0.810 62.890 62.300 -0.366 0.000 0.905 98 V CB 1.796 33.503 31.823 -0.193 0.000 1.010 98 V HN 2.096 nan 8.190 nan 0.000 0.424 99 G N 4.941 113.138 108.800 -1.005 0.000 2.606 99 G HA2 0.780 4.741 3.960 0.001 0.000 0.300 99 G HA3 0.780 4.741 3.960 0.001 0.000 0.300 99 G C -1.612 173.037 174.900 -0.419 0.000 1.360 99 G CA 0.028 44.735 45.100 -0.655 0.000 0.783 99 G HN 1.089 nan 8.290 nan 0.000 0.484 100 E N -1.273 118.912 120.200 -0.025 0.000 2.437 100 E HA 0.736 5.087 4.350 0.001 0.000 0.280 100 E C -0.258 176.278 176.600 -0.107 0.000 1.044 100 E CA -0.327 56.079 56.400 0.011 0.000 0.826 100 E CB 1.425 31.074 29.700 -0.084 0.000 1.358 100 E HN 1.966 nan 8.360 nan 0.000 0.459 101 G N -0.185 108.226 108.800 -0.648 0.000 2.341 101 G HA2 0.556 4.516 3.960 0.001 0.000 0.299 101 G HA3 0.556 4.516 3.960 0.001 0.000 0.299 101 G C -1.333 172.852 174.900 -1.191 0.000 1.274 101 G CA -0.012 44.626 45.100 -0.770 0.000 0.853 101 G HN 1.287 nan 8.290 nan 0.000 0.493 102 S N -1.511 113.808 115.700 -0.635 0.000 2.588 102 S HA 0.834 5.304 4.470 0.001 0.000 0.269 102 S C -1.313 173.292 174.600 0.007 0.000 1.157 102 S CA -0.302 57.719 58.200 -0.298 0.000 0.824 102 S CB 1.644 64.724 63.200 -0.200 0.000 1.126 102 S HN 2.142 nan 8.310 nan 0.000 0.464 103 L N -1.064 120.150 121.223 -0.014 0.000 2.376 103 L HA 1.035 5.375 4.340 0.001 0.000 0.258 103 L C -0.625 176.223 176.870 -0.037 0.000 1.013 103 L CA -0.630 54.213 54.840 0.005 0.000 0.822 103 L CB 1.880 43.950 42.059 0.018 0.000 1.388 103 L HN 1.085 nan 8.230 nan 0.000 0.413 104 S N 0.145 115.854 115.700 0.015 0.000 2.546 104 S HA 0.930 5.401 4.470 0.001 0.000 0.274 104 S C -1.239 173.417 174.600 0.094 0.000 1.121 104 S CA -0.668 57.553 58.200 0.034 0.000 0.887 104 S CB 1.943 65.142 63.200 -0.002 0.000 1.094 104 S HN 0.813 nan 8.310 nan 0.000 0.474 105 V N 2.539 122.548 119.914 0.159 0.000 2.532 105 V HA 0.722 4.842 4.120 0.001 0.000 0.294 105 V C 1.132 177.314 176.094 0.147 0.000 1.036 105 V CA 0.376 62.765 62.300 0.148 0.000 0.876 105 V CB 0.501 32.425 31.823 0.168 0.000 1.012 105 V HN 1.759 nan 8.190 nan 0.000 0.432 106 G N 5.375 114.231 108.800 0.092 0.000 2.622 106 G HA2 -0.362 3.598 3.960 0.001 0.000 0.307 106 G HA3 -0.362 3.598 3.960 0.001 0.000 0.307 106 G C 0.651 175.605 174.900 0.090 0.000 1.226 106 G CA 1.029 46.178 45.100 0.082 0.000 0.997 106 G HN 1.098 nan 8.290 nan 0.000 0.551 107 D N 0.206 120.670 120.400 0.108 0.000 2.363 107 D HA 0.286 4.927 4.640 0.001 0.000 0.226 107 D C 0.708 177.093 176.300 0.141 0.000 1.020 107 D CA 0.613 54.674 54.000 0.102 0.000 0.892 107 D CB -0.009 40.846 40.800 0.092 0.000 0.900 107 D HN 0.394 nan 8.370 nan 0.000 0.531 108 F N 1.485 121.459 119.950 0.039 0.000 2.450 108 F HA 0.543 5.070 4.527 0.001 0.000 0.332 108 F C -0.442 175.394 175.800 0.059 0.000 1.093 108 F CA -0.729 57.304 58.000 0.055 0.000 1.003 108 F CB 1.642 40.681 39.000 0.065 0.000 1.151 108 F HN -0.034 nan 8.300 nan 0.000 0.474 109 S N 3.311 118.421 115.700 -0.983 0.000 2.579 109 S HA 0.757 5.227 4.470 0.001 0.000 0.272 109 S C -1.447 172.698 174.600 -0.758 0.000 1.141 109 S CA -0.730 57.076 58.200 -0.657 0.000 0.843 109 S CB 2.094 65.125 63.200 -0.282 0.000 1.122 109 S HN 1.060 nan 8.310 nan 0.000 0.468 110 H N -1.324 117.545 119.070 -0.335 0.000 3.037 110 H HA 0.821 5.378 4.556 0.001 0.000 0.355 110 H C -0.696 174.643 175.328 0.019 0.000 1.263 110 H CA -0.340 55.634 56.048 -0.124 0.000 1.129 110 H CB 1.023 30.809 29.762 0.040 0.000 1.861 110 H HN 0.891 nan 8.280 nan 0.000 0.546 111 S N 0.939 116.769 115.700 0.216 0.000 2.747 111 S HA 0.856 5.327 4.470 0.001 0.000 0.300 111 S C -0.861 173.926 174.600 0.311 0.000 1.121 111 S CA -0.366 57.869 58.200 0.057 0.000 0.995 111 S CB 1.201 64.370 63.200 -0.052 0.000 1.113 111 S HN 0.970 nan 8.310 nan 0.000 0.547 112 F N -1.840 118.213 119.950 0.172 0.000 2.719 112 F HA 0.793 5.321 4.527 0.001 0.000 0.309 112 F C -0.887 175.029 175.800 0.194 0.000 1.138 112 F CA -0.713 57.412 58.000 0.208 0.000 0.943 112 F CB 0.986 40.143 39.000 0.260 0.000 1.304 112 F HN 0.896 nan 8.300 nan 0.000 0.445 113 S N 1.221 117.183 115.700 0.436 0.000 2.595 113 S HA 0.954 5.424 4.470 0.001 0.000 0.281 113 S C -1.319 173.554 174.600 0.455 0.000 1.117 113 S CA -0.671 57.730 58.200 0.336 0.000 0.873 113 S CB 2.494 65.756 63.200 0.103 0.000 1.108 113 S HN 1.677 nan 8.310 nan 0.000 0.477 114 F N -1.403 118.661 119.950 0.190 0.000 2.713 114 F HA 0.861 5.388 4.527 0.000 0.000 0.311 114 F C -1.362 174.492 175.800 0.090 0.000 1.141 114 F CA -0.912 57.175 58.000 0.146 0.000 0.939 114 F CB 1.119 40.216 39.000 0.161 0.000 1.325 114 F HN 0.891 nan 8.300 nan 0.000 0.453 115 E N 1.048 121.357 120.200 0.181 0.000 2.383 115 E HA 0.809 5.159 4.350 0.001 0.000 0.275 115 E C -1.268 175.447 176.600 0.191 0.000 0.918 115 E CA -1.331 55.118 56.400 0.082 0.000 0.764 115 E CB 2.518 32.215 29.700 -0.005 0.000 1.252 115 E HN 1.291 nan 8.360 nan 0.000 0.449 116 G N 0.028 108.910 108.800 0.135 0.000 2.608 116 G HA2 0.478 4.438 3.960 0.001 0.000 0.291 116 G HA3 0.478 4.438 3.960 0.001 0.000 0.291 116 G C -1.630 173.272 174.900 0.004 0.000 1.425 116 G CA -0.476 44.660 45.100 0.060 0.000 0.787 116 G HN 0.437 nan 8.290 nan 0.000 0.484 117 S N -1.416 114.254 115.700 -0.049 0.000 2.536 117 S HA 0.751 5.221 4.470 0.001 0.000 0.287 117 S C -1.093 173.417 174.600 -0.150 0.000 1.101 117 S CA -0.496 57.663 58.200 -0.068 0.000 0.950 117 S CB 1.744 64.914 63.200 -0.050 0.000 1.056 117 S HN 0.946 nan 8.310 nan 0.000 0.481 118 V N 4.369 124.194 119.914 -0.147 0.000 2.577 118 V HA 0.560 4.680 4.120 0.001 0.000 0.303 118 V C -0.825 175.145 176.094 -0.207 0.000 1.042 118 V CA -0.663 61.472 62.300 -0.275 0.000 0.872 118 V CB 1.879 33.488 31.823 -0.357 0.000 0.998 118 V HN 0.714 nan 8.190 nan 0.000 0.423 119 V N 3.979 123.736 119.914 -0.261 0.000 2.378 119 V HA 0.398 4.519 4.120 0.001 0.000 0.288 119 V C -0.052 175.757 176.094 -0.475 0.000 1.016 119 V CA -0.700 61.435 62.300 -0.275 0.000 0.840 119 V CB 1.633 33.374 31.823 -0.136 0.000 0.994 119 V HN 0.910 nan 8.190 nan 0.000 0.431 120 N N 4.324 122.487 118.700 -0.895 0.000 2.472 120 N HA 0.539 5.280 4.740 0.001 0.000 0.277 120 N C -0.658 174.447 175.510 -0.675 0.000 1.081 120 N CA -0.131 52.274 53.050 -1.074 0.000 0.973 120 N CB 1.040 38.367 38.487 -1.934 0.000 1.105 120 N HN 0.728 nan 8.380 nan 0.000 0.470 121 M N 4.175 123.431 119.600 -0.572 0.000 2.035 121 M HA 0.298 4.778 4.480 0.001 0.000 0.286 121 M C -1.427 174.574 176.300 -0.498 0.000 0.907 121 M CA -0.730 54.333 55.300 -0.396 0.000 0.935 121 M CB 0.500 33.013 32.600 -0.145 0.000 1.557 121 M HN 0.489 nan 8.290 nan 0.000 0.426 122 Y N 2.567 122.707 120.300 -0.267 0.000 2.497 122 Y HA 0.005 4.556 4.550 0.001 0.000 0.334 122 Y C 0.468 176.245 175.900 -0.205 0.000 1.199 122 Y CA 0.691 58.641 58.100 -0.250 0.000 1.425 122 Y CB 0.223 38.551 38.460 -0.220 0.000 1.291 122 Y HN 0.561 nan 8.280 nan 0.000 0.562 123 Y N 0.993 121.376 120.300 0.139 0.000 2.439 123 Y HA -0.090 4.460 4.550 0.000 0.000 0.292 123 Y C 0.158 176.183 175.900 0.208 0.000 1.130 123 Y CA 0.805 58.995 58.100 0.151 0.000 1.254 123 Y CB -0.291 38.270 38.460 0.170 0.000 1.000 123 Y HN 0.598 nan 8.280 nan 0.000 0.554 124 Y N -2.788 117.644 120.300 0.220 0.000 2.615 124 Y HA 0.805 5.356 4.550 0.000 0.000 0.341 124 Y C -1.017 174.938 175.900 0.091 0.000 1.089 124 Y CA -2.163 56.014 58.100 0.129 0.000 1.049 124 Y CB 1.244 39.763 38.460 0.098 0.000 1.296 124 Y HN -0.453 nan 8.280 nan 0.000 0.470 125 R N 2.011 122.545 120.500 0.057 0.000 2.502 125 R HA 0.491 4.832 4.340 0.001 0.000 0.298 125 R C -1.629 174.788 176.300 0.194 0.000 1.018 125 R CA -0.657 55.422 56.100 -0.035 0.000 0.899 125 R CB 1.697 31.984 30.300 -0.022 0.000 1.181 125 R HN 0.808 nan 8.270 nan 0.000 0.444 126 S N 1.346 117.199 115.700 0.255 0.000 2.779 126 S HA 0.087 4.557 4.470 0.001 0.000 0.293 126 S C 0.449 175.128 174.600 0.132 0.000 1.150 126 S CA -0.585 57.751 58.200 0.227 0.000 1.057 126 S CB 1.205 64.552 63.200 0.245 0.000 1.021 126 S HN 0.572 nan 8.310 nan 0.000 0.485 127 D N 4.630 125.076 120.400 0.077 0.000 2.228 127 D HA -0.080 4.560 4.640 0.001 0.000 0.203 127 D C 1.908 178.235 176.300 0.045 0.000 0.988 127 D CA 1.759 55.787 54.000 0.046 0.000 0.864 127 D CB 0.095 40.914 40.800 0.031 0.000 0.928 127 D HN 0.679 nan 8.370 nan 0.000 0.469 128 A N -0.518 122.333 122.820 0.052 0.000 1.972 128 A HA -0.109 4.211 4.320 0.001 0.000 0.219 128 A C 2.389 179.997 177.584 0.040 0.000 1.169 128 A CA 1.435 53.493 52.037 0.035 0.000 0.635 128 A CB -0.505 18.509 19.000 0.023 0.000 0.810 128 A HN 0.221 nan 8.150 nan 0.000 0.446 129 V N -0.245 119.713 119.914 0.074 0.000 2.302 129 V HA -0.178 3.943 4.120 0.001 0.000 0.243 129 V C 2.573 178.699 176.094 0.054 0.000 1.036 129 V CA 1.815 64.165 62.300 0.084 0.000 1.020 129 V CB -0.776 31.158 31.823 0.185 0.000 0.657 129 V HN 0.488 nan 8.190 nan 0.000 0.453 130 R N 0.683 121.211 120.500 0.047 0.000 2.091 130 R HA -0.187 4.154 4.340 0.001 0.000 0.238 130 R C 2.387 178.692 176.300 0.007 0.000 1.136 130 R CA 1.897 58.005 56.100 0.013 0.000 0.959 130 R CB -0.425 29.876 30.300 0.002 0.000 0.856 130 R HN 0.627 nan 8.270 nan 0.000 0.437 131 R N -0.155 120.352 120.500 0.012 0.000 2.299 131 R HA 0.078 4.418 4.340 0.001 0.000 0.197 131 R C 1.084 177.386 176.300 0.002 0.000 0.971 131 R CA 0.929 57.032 56.100 0.005 0.000 1.030 131 R CB 0.027 30.331 30.300 0.006 0.000 0.932 131 R HN 0.116 nan 8.270 nan 0.000 0.477 132 N N 0.221 118.925 118.700 0.007 0.000 2.294 132 N HA 0.127 4.868 4.740 0.001 0.000 0.186 132 N C -0.405 175.105 175.510 0.000 0.000 1.107 132 N CA 0.167 53.219 53.050 0.003 0.000 0.884 132 N CB 0.805 39.297 38.487 0.007 0.000 1.030 132 N HN 0.101 nan 8.380 nan 0.000 0.482 133 I N 3.240 123.812 120.570 0.003 0.000 2.328 133 I HA 0.234 4.404 4.170 0.001 0.000 0.287 133 I C -1.417 174.692 176.117 -0.013 0.000 1.012 133 I CA -2.021 59.278 61.300 -0.002 0.000 1.195 133 I CB 1.244 39.249 38.000 0.008 0.000 1.350 133 I HN -0.181 nan 8.210 nan 0.000 0.464 134 P HA -0.052 nan 4.420 nan 0.000 0.220 134 P C 0.441 177.722 177.300 -0.031 0.000 1.152 134 P CA 0.984 64.068 63.100 -0.028 0.000 0.812 134 P CB 0.547 32.225 31.700 -0.035 0.000 0.792 135 N N 0.107 118.788 118.700 -0.032 0.000 2.750 135 N HA 0.218 4.958 4.740 0.001 0.000 0.253 135 N C -2.784 172.701 175.510 -0.041 0.000 1.408 135 N CA -2.057 50.972 53.050 -0.035 0.000 0.780 135 N CB 0.530 38.996 38.487 -0.035 0.000 1.191 135 N HN -0.072 nan 8.380 nan 0.000 0.511 136 P HA 0.194 nan 4.420 nan 0.000 0.271 136 P C 0.393 177.656 177.300 -0.063 0.000 1.216 136 P CA -0.362 62.714 63.100 -0.041 0.000 0.776 136 P CB 1.580 33.260 31.700 -0.033 0.000 0.881 137 I N 0.720 121.222 120.570 -0.113 0.000 3.523 137 I HA 0.059 4.230 4.170 0.001 0.000 0.244 137 I C 0.612 176.678 176.117 -0.085 0.000 1.110 137 I CA 0.510 61.698 61.300 -0.187 0.000 1.517 137 I CB -1.256 36.487 38.000 -0.428 0.000 1.505 137 I HN 0.165 nan 8.210 nan 0.000 0.460 138 Y N 3.063 123.396 120.300 0.055 0.000 2.436 138 Y HA 0.386 4.936 4.550 0.000 0.000 0.343 138 Y C 0.311 176.255 175.900 0.074 0.000 1.008 138 Y CA -0.410 57.730 58.100 0.068 0.000 1.241 138 Y CB 0.187 38.688 38.460 0.068 0.000 1.153 138 Y HN 0.003 nan 8.280 nan 0.000 0.521 139 M N 4.070 123.810 119.600 0.233 0.000 2.093 139 M HA 0.291 4.771 4.480 0.001 0.000 0.297 139 M C -0.812 175.641 176.300 0.254 0.000 0.938 139 M CA -1.159 54.234 55.300 0.155 0.000 0.920 139 M CB 1.612 34.195 32.600 -0.029 0.000 1.517 139 M HN 0.608 nan 8.290 nan 0.000 0.427 140 Q N 1.174 121.145 119.800 0.285 0.000 2.293 140 Q HA 0.791 5.132 4.340 0.001 0.000 0.251 140 Q C 0.630 176.857 176.000 0.379 0.000 0.930 140 Q CA -0.070 55.931 55.803 0.330 0.000 0.893 140 Q CB 1.301 30.249 28.738 0.350 0.000 1.215 140 Q HN 0.901 nan 8.270 nan 0.000 0.425 141 G N 0.390 109.314 108.800 0.207 0.000 2.430 141 G HA2 0.573 4.534 3.960 0.001 0.000 0.300 141 G HA3 0.573 4.534 3.960 0.001 0.000 0.300 141 G C -1.798 172.837 174.900 -0.441 0.000 1.330 141 G CA -0.953 43.962 45.100 -0.308 0.000 0.813 141 G HN 0.506 nan 8.290 nan 0.000 0.487 142 R N -0.308 119.771 120.500 -0.703 0.000 2.673 142 R HA 0.679 5.020 4.340 0.001 0.000 0.281 142 R C -1.395 174.420 176.300 -0.809 0.000 0.991 142 R CA -0.662 55.025 56.100 -0.689 0.000 0.896 142 R CB 2.103 32.011 30.300 -0.653 0.000 1.201 142 R HN 0.582 nan 8.270 nan 0.000 0.457 143 Q N 4.285 123.557 119.800 -0.879 0.000 2.303 143 Q HA 0.299 4.640 4.340 0.001 0.000 0.267 143 Q C -1.755 173.923 176.000 -0.538 0.000 1.011 143 Q CA -0.554 54.842 55.803 -0.678 0.000 0.740 143 Q CB 1.060 29.441 28.738 -0.595 0.000 1.250 143 Q HN 0.503 nan 8.270 nan 0.000 0.458 144 F N 2.915 122.705 119.950 -0.266 0.000 2.391 144 F HA 0.331 4.859 4.527 0.001 0.000 0.359 144 F C 0.023 175.677 175.800 -0.244 0.000 1.122 144 F CA -0.501 57.373 58.000 -0.210 0.000 1.120 144 F CB 0.766 39.651 39.000 -0.193 0.000 1.142 144 F HN 0.544 nan 8.300 nan 0.000 0.483 145 H N 1.196 120.037 119.070 -0.381 0.000 2.458 145 H HA 0.357 4.913 4.556 0.001 0.000 0.330 145 H C -0.880 174.278 175.328 -0.284 0.000 1.111 145 H CA -0.693 55.108 56.048 -0.412 0.000 1.245 145 H CB 1.255 30.534 29.762 -0.806 0.000 1.456 145 H HN 0.385 nan 8.280 nan 0.000 0.488 146 D N 2.884 123.207 120.400 -0.129 0.000 2.620 146 D HA 0.341 4.981 4.640 0.001 0.000 0.252 146 D C -0.978 175.227 176.300 -0.159 0.000 1.207 146 D CA -0.434 53.494 54.000 -0.119 0.000 0.884 146 D CB 0.674 41.438 40.800 -0.060 0.000 1.262 146 D HN 0.422 nan 8.370 nan 0.000 0.552 147 I N 3.107 123.504 120.570 -0.288 0.000 2.498 147 I HA 0.364 4.535 4.170 0.001 0.000 0.290 147 I C -0.985 175.054 176.117 -0.130 0.000 1.032 147 I CA -1.181 59.941 61.300 -0.297 0.000 1.073 147 I CB 2.254 39.818 38.000 -0.727 0.000 1.251 147 I HN 0.232 nan 8.210 nan 0.000 0.426 148 L N 8.351 129.606 121.223 0.053 0.000 2.319 148 L HA 0.672 5.013 4.340 0.001 0.000 0.281 148 L C -0.521 176.491 176.870 0.236 0.000 1.005 148 L CA -0.262 54.668 54.840 0.149 0.000 0.828 148 L CB 1.167 43.296 42.059 0.118 0.000 1.227 148 L HN 0.653 nan 8.230 nan 0.000 0.415 149 M N 3.303 123.079 119.600 0.293 0.000 2.591 149 M HA 0.675 5.156 4.480 0.001 0.000 0.306 149 M C -1.624 174.829 176.300 0.254 0.000 1.190 149 M CA -0.735 54.759 55.300 0.323 0.000 0.889 149 M CB 2.505 35.321 32.600 0.359 0.000 1.728 149 M HN 0.420 nan 8.290 nan 0.000 0.458 150 K N 1.857 122.403 120.400 0.244 0.000 2.482 150 K HA 0.726 5.047 4.320 0.001 0.000 0.251 150 K C -1.782 174.926 176.600 0.180 0.000 0.936 150 K CA -0.887 55.497 56.287 0.162 0.000 0.791 150 K CB 3.184 35.756 32.500 0.120 0.000 1.213 150 K HN 0.609 nan 8.250 nan 0.000 0.428 151 V N 3.686 123.657 119.914 0.095 0.000 2.525 151 V HA 0.279 4.400 4.120 0.001 0.000 0.299 151 V C -2.481 173.608 176.094 -0.009 0.000 1.034 151 V CA -2.259 60.100 62.300 0.098 0.000 0.863 151 V CB 1.851 33.712 31.823 0.064 0.000 0.999 151 V HN 0.612 nan 8.190 nan 0.000 0.423 152 P HA 0.154 nan 4.420 nan 0.000 0.263 152 P C -0.191 177.075 177.300 -0.057 0.000 1.195 152 P CA 0.135 63.213 63.100 -0.037 0.000 0.762 152 P CB 0.376 32.069 31.700 -0.012 0.000 0.799 153 L N 3.754 124.914 121.223 -0.105 0.000 2.480 153 L HA 0.138 4.478 4.340 0.001 0.000 0.243 153 L C 0.720 177.567 176.870 -0.038 0.000 1.315 153 L CA 0.123 54.910 54.840 -0.089 0.000 1.231 153 L CB -0.554 41.402 42.059 -0.172 0.000 1.444 153 L HN 0.389 nan 8.230 nan 0.000 0.409 154 D N -0.505 119.888 120.400 -0.012 0.000 2.463 154 D HA 0.069 4.709 4.640 0.001 0.000 0.224 154 D C 0.033 176.343 176.300 0.016 0.000 1.174 154 D CA -0.272 53.725 54.000 -0.005 0.000 0.829 154 D CB 0.092 40.883 40.800 -0.014 0.000 0.993 154 D HN 0.488 nan 8.370 nan 0.000 0.497 155 N N -1.472 117.257 118.700 0.049 0.000 2.825 155 N HA 0.206 4.946 4.740 0.001 0.000 0.253 155 N C 0.002 175.574 175.510 0.105 0.000 1.426 155 N CA -0.766 52.333 53.050 0.082 0.000 0.851 155 N CB 0.441 38.994 38.487 0.110 0.000 1.470 155 N HN -0.345 nan 8.380 nan 0.000 0.517 156 N N -0.132 118.630 118.700 0.104 0.000 2.309 156 N HA -0.087 4.653 4.740 0.001 0.000 0.182 156 N C 0.063 175.636 175.510 0.104 0.000 1.018 156 N CA 0.961 54.064 53.050 0.088 0.000 0.876 156 N CB -0.274 38.256 38.487 0.071 0.000 0.972 156 N HN 0.580 nan 8.380 nan 0.000 0.434 157 D N 0.660 121.149 120.400 0.147 0.000 2.144 157 D HA -0.043 4.597 4.640 0.001 0.000 0.200 157 D C 2.108 178.483 176.300 0.124 0.000 0.978 157 D CA 0.404 54.469 54.000 0.110 0.000 0.833 157 D CB -0.012 40.822 40.800 0.056 0.000 0.961 157 D HN 0.252 nan 8.370 nan 0.000 0.470 158 L N 0.582 121.918 121.223 0.188 0.000 2.046 158 L HA -0.145 4.196 4.340 0.001 0.000 0.208 158 L C 2.639 179.590 176.870 0.136 0.000 1.077 158 L CA 0.593 55.518 54.840 0.142 0.000 0.747 158 L CB -0.406 41.715 42.059 0.103 0.000 0.896 158 L HN -0.092 nan 8.230 nan 0.000 0.432 159 V N -0.116 119.868 119.914 0.115 0.000 2.287 159 V HA -0.319 3.801 4.120 0.001 0.000 0.248 159 V C 2.148 178.349 176.094 0.178 0.000 1.053 159 V CA 2.007 64.387 62.300 0.134 0.000 1.027 159 V CB -0.534 31.341 31.823 0.086 0.000 0.646 159 V HN 0.450 nan 8.190 nan 0.000 0.447 160 D N -0.282 120.191 120.400 0.121 0.000 2.117 160 D HA -0.133 4.508 4.640 0.001 0.000 0.197 160 D C 2.295 178.654 176.300 0.098 0.000 0.987 160 D CA 1.885 55.941 54.000 0.093 0.000 0.829 160 D CB -0.432 40.401 40.800 0.055 0.000 0.961 160 D HN 0.389 nan 8.370 nan 0.000 0.460 161 T N 0.448 115.067 114.554 0.108 0.000 2.821 161 T HA -0.139 4.211 4.350 0.001 0.000 0.267 161 T C 1.615 176.417 174.700 0.170 0.000 1.046 161 T CA 0.609 62.767 62.100 0.096 0.000 1.139 161 T CB -0.242 68.667 68.868 0.068 0.000 0.871 161 T HN 0.354 nan 8.240 nan 0.000 0.454 162 W N 2.296 123.626 121.300 0.049 0.000 2.317 162 W HA -0.202 4.458 4.660 0.001 0.000 0.318 162 W C 1.783 178.373 176.519 0.119 0.000 1.227 162 W CA 1.608 59.021 57.345 0.113 0.000 1.269 162 W CB -0.212 29.293 29.460 0.074 0.000 1.155 162 W HN 0.411 nan 8.180 nan 0.000 0.484 163 E N -0.471 119.812 120.200 0.139 0.000 2.110 163 E HA -0.145 4.206 4.350 0.001 0.000 0.193 163 E C 2.436 178.963 176.600 -0.122 0.000 0.988 163 E CA 1.294 57.677 56.400 -0.029 0.000 0.804 163 E CB -0.795 28.942 29.700 0.062 0.000 0.745 163 E HN 0.365 nan 8.360 nan 0.000 0.458 164 G N 1.085 109.855 108.800 -0.051 0.000 2.408 164 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 164 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 164 G C 1.352 176.186 174.900 -0.110 0.000 1.150 164 G CA 0.522 45.580 45.100 -0.069 0.000 0.776 164 G HN 0.266 nan 8.290 nan 0.000 0.542 165 F N 1.695 121.492 119.950 -0.256 0.000 2.091 165 F HA -0.168 4.359 4.527 0.001 0.000 0.299 165 F C 2.638 178.161 175.800 -0.461 0.000 1.103 165 F CA 2.087 59.879 58.000 -0.347 0.000 1.228 165 F CB -0.566 38.186 39.000 -0.412 0.000 0.984 165 F HN 0.165 nan 8.300 nan 0.000 0.477 166 Q N 0.285 119.494 119.800 -0.984 0.000 2.124 166 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 166 Q C 2.545 178.197 176.000 -0.580 0.000 0.977 166 Q CA 2.123 57.351 55.803 -0.958 0.000 0.850 166 Q CB -0.852 27.475 28.738 -0.684 0.000 0.901 166 Q HN 0.531 nan 8.270 nan 0.000 0.429 167 Q N -1.095 118.481 119.800 -0.373 0.000 2.172 167 Q HA -0.029 4.311 4.340 0.001 0.000 0.200 167 Q C 2.266 178.136 176.000 -0.217 0.000 0.964 167 Q CA 1.252 56.912 55.803 -0.238 0.000 0.855 167 Q CB -0.219 28.433 28.738 -0.144 0.000 0.918 167 Q HN 0.598 nan 8.270 nan 0.000 0.444 168 S N 0.230 115.800 115.700 -0.217 0.000 2.368 168 S HA -0.006 4.465 4.470 0.001 0.000 0.225 168 S C 1.668 176.185 174.600 -0.139 0.000 1.030 168 S CA 1.396 59.551 58.200 -0.074 0.000 0.999 168 S CB -0.245 63.002 63.200 0.079 0.000 0.844 168 S HN 0.617 nan 8.310 nan 0.000 0.459 169 I N 1.466 121.713 120.570 -0.538 0.000 3.793 169 I HA -0.055 4.115 4.170 0.001 0.000 0.315 169 I C 1.685 177.551 176.117 -0.418 0.000 1.275 169 I CA 0.534 61.419 61.300 -0.690 0.000 1.214 169 I CB -0.349 36.886 38.000 -1.275 0.000 1.018 169 I HN 0.400 nan 8.210 nan 0.000 0.439 170 S N 1.170 116.670 115.700 -0.333 0.000 3.099 170 S HA -0.403 4.068 4.470 0.001 0.000 0.537 170 S C 1.829 176.308 174.600 -0.203 0.000 0.920 170 S CA 2.129 60.188 58.200 -0.234 0.000 3.388 170 S CB -1.835 61.201 63.200 -0.273 0.000 2.350 170 S HN 0.518 nan 8.310 nan 0.000 0.540 171 G N 0.059 108.745 108.800 -0.191 0.000 2.744 171 G HA2 0.473 4.434 3.960 0.001 0.000 0.211 171 G HA3 0.473 4.434 3.960 0.001 0.000 0.211 171 G C 1.136 175.974 174.900 -0.103 0.000 1.146 171 G CA 0.674 45.700 45.100 -0.124 0.000 0.787 171 G HN 1.280 nan 8.290 nan 0.000 0.534 172 G N -0.197 108.531 108.800 -0.120 0.000 3.233 172 G HA2 0.427 4.388 3.960 0.001 0.000 0.234 172 G HA3 0.427 4.388 3.960 0.001 0.000 0.234 172 G C 1.206 176.035 174.900 -0.118 0.000 1.137 172 G CA 0.622 45.662 45.100 -0.100 0.000 0.763 172 G HN 0.781 nan 8.290 nan 0.000 0.549 173 G N 0.913 109.653 108.800 -0.100 0.000 2.661 173 G HA2 -0.142 3.818 3.960 0.001 0.000 0.327 173 G HA3 -0.142 3.818 3.960 0.001 0.000 0.327 173 G C 1.634 176.494 174.900 -0.066 0.000 1.320 173 G CA 1.382 46.433 45.100 -0.081 0.000 0.997 173 G HN 1.213 nan 8.290 nan 0.000 0.543 174 A N -0.577 122.189 122.820 -0.089 0.000 2.067 174 A HA 0.016 4.336 4.320 0.001 0.000 0.219 174 A C 2.188 179.641 177.584 -0.218 0.000 1.158 174 A CA 2.067 54.050 52.037 -0.091 0.000 0.661 174 A CB -0.419 18.540 19.000 -0.068 0.000 0.801 174 A HN 0.603 nan 8.150 nan 0.000 0.452 175 N N -0.563 117.887 118.700 -0.417 0.000 2.166 175 N HA -0.159 4.581 4.740 0.001 0.000 0.186 175 N C 1.355 176.456 175.510 -0.682 0.000 1.019 175 N CA 1.424 53.893 53.050 -0.968 0.000 0.856 175 N CB -0.619 36.943 38.487 -1.543 0.000 0.993 175 N HN 0.580 nan 8.380 nan 0.000 0.426 176 F N 1.387 121.104 119.950 -0.388 0.000 2.065 176 F HA -0.105 4.422 4.527 0.001 0.000 0.298 176 F C 2.160 177.923 175.800 -0.062 0.000 1.112 176 F CA 1.941 59.841 58.000 -0.168 0.000 1.212 176 F CB -0.694 38.234 39.000 -0.119 0.000 0.975 176 F HN 0.032 nan 8.300 nan 0.000 0.476 177 G N -1.193 107.546 108.800 -0.103 0.000 2.650 177 G HA2 -0.168 3.793 3.960 0.001 0.000 0.214 177 G HA3 -0.168 3.793 3.960 0.001 0.000 0.214 177 G C 1.169 176.050 174.900 -0.031 0.000 1.136 177 G CA 0.786 45.834 45.100 -0.086 0.000 0.789 177 G HN 0.451 nan 8.290 nan 0.000 0.536 178 D N 0.049 120.408 120.400 -0.068 0.000 2.146 178 D HA -0.075 4.565 4.640 0.001 0.000 0.209 178 D C 1.838 178.262 176.300 0.207 0.000 0.973 178 D CA 0.458 54.486 54.000 0.047 0.000 0.860 178 D CB -0.250 40.522 40.800 -0.046 0.000 1.015 178 D HN 0.225 nan 8.370 nan 0.000 0.465 179 W N 1.124 122.410 121.300 -0.023 0.000 2.525 179 W HA 0.146 4.806 4.660 0.001 0.000 0.259 179 W C 2.211 178.707 176.519 -0.039 0.000 1.253 179 W CA -0.400 56.930 57.345 -0.025 0.000 1.262 179 W CB -1.146 28.287 29.460 -0.045 0.000 1.122 179 W HN 0.122 nan 8.180 nan 0.000 0.607 180 I N 0.822 121.419 120.570 0.045 0.000 2.567 180 I HA -0.293 3.878 4.170 0.001 0.000 0.257 180 I C 2.364 178.653 176.117 0.286 0.000 1.184 180 I CA 1.279 62.578 61.300 -0.003 0.000 1.451 180 I CB -0.038 37.767 38.000 -0.325 0.000 1.089 180 I HN -0.118 nan 8.210 nan 0.000 0.441 181 R N 0.622 121.329 120.500 0.345 0.000 2.092 181 R HA -0.163 4.177 4.340 0.001 0.000 0.231 181 R C 2.043 178.650 176.300 0.512 0.000 1.119 181 R CA 1.632 58.010 56.100 0.463 0.000 0.970 181 R CB -0.346 30.195 30.300 0.401 0.000 0.864 181 R HN 0.546 nan 8.270 nan 0.000 0.440 182 E N 0.294 120.709 120.200 0.357 0.000 2.358 182 E HA -0.157 4.193 4.350 0.001 0.000 0.195 182 E C 1.571 178.266 176.600 0.159 0.000 1.010 182 E CA 0.664 57.147 56.400 0.140 0.000 0.856 182 E CB -0.225 29.323 29.700 -0.254 0.000 0.795 182 E HN 0.313 nan 8.360 nan 0.000 0.504 183 F N 1.348 121.342 119.950 0.072 0.000 2.098 183 F HA -0.058 4.469 4.527 0.001 0.000 0.294 183 F C 2.090 177.928 175.800 0.064 0.000 1.107 183 F CA 1.179 59.200 58.000 0.035 0.000 1.234 183 F CB -0.315 38.683 39.000 -0.004 0.000 1.002 183 F HN 0.055 nan 8.300 nan 0.000 0.472 184 W N 1.105 122.275 121.300 -0.218 0.000 2.354 184 W HA -0.144 4.517 4.660 0.000 0.000 0.315 184 W C 0.346 176.458 176.519 -0.679 0.000 1.206 184 W CA 1.202 58.222 57.345 -0.541 0.000 1.290 184 W CB -1.199 27.938 29.460 -0.538 0.000 1.152 184 W HN -0.050 nan 8.180 nan 0.000 0.489 185 F N 1.452 121.428 119.950 0.043 0.000 2.509 185 F HA 0.237 4.764 4.527 0.001 0.000 0.344 185 F C 0.740 176.547 175.800 0.011 0.000 1.197 185 F CA -0.821 57.139 58.000 -0.067 0.000 1.294 185 F CB -0.939 37.947 39.000 -0.190 0.000 1.643 185 F HN -0.345 nan 8.300 nan 0.000 0.596 186 I N 1.319 121.895 120.570 0.009 0.000 2.813 186 I HA 0.294 4.464 4.170 0.001 0.000 0.287 186 I C 1.293 177.424 176.117 0.023 0.000 1.196 186 I CA 1.054 62.336 61.300 -0.030 0.000 1.421 186 I CB 0.143 38.069 38.000 -0.123 0.000 1.365 186 I HN 0.672 nan 8.210 nan 0.000 0.591 187 G N 6.833 115.636 108.800 0.006 0.000 2.574 187 G HA2 -0.280 3.681 3.960 0.001 0.000 0.286 187 G HA3 -0.280 3.681 3.960 0.001 0.000 0.286 187 G C -1.617 173.304 174.900 0.034 0.000 1.212 187 G CA 0.168 45.272 45.100 0.007 0.000 0.979 187 G HN 0.618 nan 8.290 nan 0.000 0.557 188 P HA 0.227 nan 4.420 nan 0.000 0.242 188 P C 1.688 178.992 177.300 0.006 0.000 1.197 188 P CA 1.808 64.918 63.100 0.017 0.000 0.765 188 P CB -0.291 31.409 31.700 -0.001 0.000 0.936 189 A N -0.156 122.686 122.820 0.037 0.000 1.933 189 A HA -0.192 4.129 4.320 0.001 0.000 0.218 189 A C 2.030 179.606 177.584 -0.013 0.000 1.175 189 A CA 1.143 53.195 52.037 0.024 0.000 0.628 189 A CB -1.702 17.392 19.000 0.158 0.000 0.814 189 A HN 0.166 nan 8.150 nan 0.000 0.444 190 F N 0.828 120.749 119.950 -0.047 0.000 2.102 190 F HA -0.100 4.428 4.527 0.001 0.000 0.298 190 F C 2.564 178.277 175.800 -0.144 0.000 1.105 190 F CA 1.495 59.443 58.000 -0.087 0.000 1.239 190 F CB -0.313 38.671 39.000 -0.026 0.000 0.991 190 F HN 0.248 nan 8.300 nan 0.000 0.474 191 A N 0.158 123.041 122.820 0.106 0.000 1.972 191 A HA -0.071 4.249 4.320 0.001 0.000 0.219 191 A C 2.305 179.800 177.584 -0.147 0.000 1.169 191 A CA 1.514 53.551 52.037 0.000 0.000 0.635 191 A CB -1.474 17.547 19.000 0.035 0.000 0.810 191 A HN 0.492 nan 8.150 nan 0.000 0.446 192 A N 0.010 122.697 122.820 -0.221 0.000 2.019 192 A HA -0.044 4.276 4.320 0.001 0.000 0.219 192 A C 2.012 179.404 177.584 -0.320 0.000 1.164 192 A CA 1.318 53.141 52.037 -0.356 0.000 0.644 192 A CB -0.600 18.035 19.000 -0.608 0.000 0.805 192 A HN 0.530 nan 8.150 nan 0.000 0.449 193 I N -0.324 120.013 120.570 -0.388 0.000 2.076 193 I HA -0.313 3.858 4.170 0.001 0.000 0.237 193 I C 2.399 178.375 176.117 -0.235 0.000 1.059 193 I CA 1.968 63.033 61.300 -0.392 0.000 1.317 193 I CB -0.523 37.082 38.000 -0.658 0.000 1.037 193 I HN 0.370 nan 8.210 nan 0.000 0.398 194 N N 0.506 119.063 118.700 -0.238 0.000 2.223 194 N HA -0.181 4.559 4.740 0.001 0.000 0.185 194 N C 1.763 177.222 175.510 -0.085 0.000 1.016 194 N CA 0.990 53.953 53.050 -0.146 0.000 0.863 194 N CB 0.022 38.434 38.487 -0.126 0.000 0.983 194 N HN 0.261 nan 8.380 nan 0.000 0.429 195 E N -0.842 119.312 120.200 -0.075 0.000 2.160 195 E HA -0.100 4.250 4.350 0.001 0.000 0.195 195 E C 1.297 177.904 176.600 0.012 0.000 0.991 195 E CA 1.124 57.506 56.400 -0.030 0.000 0.810 195 E CB -0.247 29.436 29.700 -0.029 0.000 0.742 195 E HN 0.463 nan 8.360 nan 0.000 0.466 196 G N -0.155 108.673 108.800 0.047 0.000 3.233 196 G HA2 0.207 4.167 3.960 0.001 0.000 0.227 196 G HA3 0.207 4.167 3.960 0.001 0.000 0.227 196 G C 0.965 175.866 174.900 0.001 0.000 1.175 196 G CA 0.188 45.321 45.100 0.054 0.000 0.781 196 G HN 0.324 nan 8.290 nan 0.000 0.542 197 G N -0.620 108.162 108.800 -0.031 0.000 2.225 197 G HA2 -0.296 3.664 3.960 0.001 0.000 0.267 197 G HA3 -0.296 3.664 3.960 0.001 0.000 0.267 197 G C 0.166 175.042 174.900 -0.040 0.000 1.024 197 G CA 0.655 45.727 45.100 -0.047 0.000 0.784 197 G HN 0.751 nan 8.290 nan 0.000 0.507 198 Q N -0.808 118.961 119.800 -0.051 0.000 2.215 198 Q HA 0.765 5.105 4.340 0.001 0.000 0.256 198 Q C 0.308 176.246 176.000 -0.104 0.000 0.972 198 Q CA -0.959 54.812 55.803 -0.053 0.000 0.889 198 Q CB 0.876 29.591 28.738 -0.039 0.000 1.281 198 Q HN 0.471 nan 8.270 nan 0.000 0.456 199 R N 2.071 122.522 120.500 -0.083 0.000 2.621 199 R HA 0.522 4.863 4.340 0.001 0.000 0.284 199 R C -1.078 175.178 176.300 -0.074 0.000 0.998 199 R CA -0.837 55.204 56.100 -0.098 0.000 0.895 199 R CB 1.441 31.713 30.300 -0.047 0.000 1.195 199 R HN 0.524 nan 8.270 nan 0.000 0.450 200 I N 2.268 122.759 120.570 -0.131 0.000 2.362 200 I HA 0.184 4.355 4.170 0.001 0.000 0.289 200 I C 0.907 177.060 176.117 0.060 0.000 0.994 200 I CA -0.541 60.725 61.300 -0.057 0.000 1.158 200 I CB 1.384 39.199 38.000 -0.308 0.000 1.315 200 I HN 0.718 nan 8.210 nan 0.000 0.451 201 S N 7.406 123.221 115.700 0.192 0.000 2.600 201 S HA 0.478 4.948 4.470 0.001 0.000 0.265 201 S C -2.522 172.233 174.600 0.258 0.000 1.325 201 S CA -0.863 57.460 58.200 0.205 0.000 1.002 201 S CB 0.344 63.681 63.200 0.229 0.000 0.921 201 S HN 0.380 nan 8.310 nan 0.000 0.554 202 P HA 0.193 nan 4.420 nan 0.000 0.268 202 P C -0.460 177.031 177.300 0.318 0.000 1.208 202 P CA -0.141 63.097 63.100 0.230 0.000 0.777 202 P CB 0.198 31.995 31.700 0.162 0.000 0.875 203 I N 1.203 121.961 120.570 0.314 0.000 2.575 203 I HA 0.117 4.287 4.170 0.001 0.000 0.285 203 I C 0.018 176.333 176.117 0.331 0.000 1.085 203 I CA -0.261 61.269 61.300 0.384 0.000 1.403 203 I CB 0.744 38.911 38.000 0.278 0.000 1.409 203 I HN -0.030 nan 8.210 nan 0.000 0.557 204 V N 7.088 127.221 119.914 0.366 0.000 2.448 204 V HA 0.265 4.385 4.120 0.001 0.000 0.295 204 V C -0.079 176.216 176.094 0.335 0.000 1.025 204 V CA -0.686 61.790 62.300 0.293 0.000 0.859 204 V CB 1.849 33.809 31.823 0.228 0.000 0.988 204 V HN 0.363 nan 8.190 nan 0.000 0.431 205 V N 4.655 124.737 119.914 0.280 0.000 2.364 205 V HA 0.229 4.349 4.120 0.001 0.000 0.272 205 V C 1.039 177.245 176.094 0.187 0.000 1.036 205 V CA -0.243 62.215 62.300 0.264 0.000 0.880 205 V CB 0.974 32.911 31.823 0.191 0.000 0.991 205 V HN 0.936 nan 8.190 nan 0.000 0.460 206 N N 3.403 122.225 118.700 0.203 0.000 2.092 206 N HA -0.062 4.679 4.740 0.001 0.000 0.189 206 N C 0.606 176.187 175.510 0.118 0.000 1.040 206 N CA 1.287 54.423 53.050 0.143 0.000 0.845 206 N CB 0.295 38.864 38.487 0.137 0.000 1.017 206 N HN 0.845 nan 8.380 nan 0.000 0.426 207 S N -2.440 113.351 115.700 0.151 0.000 2.550 207 S HA 0.596 5.066 4.470 0.001 0.000 0.270 207 S C -1.217 173.496 174.600 0.189 0.000 1.145 207 S CA -0.877 57.403 58.200 0.134 0.000 0.852 207 S CB 1.600 64.873 63.200 0.121 0.000 1.119 207 S HN 0.047 nan 8.310 nan 0.000 0.465 208 S N 1.230 117.045 115.700 0.192 0.000 2.536 208 S HA 0.555 5.025 4.470 0.001 0.000 0.246 208 S C -1.424 173.416 174.600 0.401 0.000 1.077 208 S CA -0.557 57.839 58.200 0.327 0.000 1.091 208 S CB -0.364 63.039 63.200 0.338 0.000 1.148 208 S HN 0.860 nan 8.310 nan 0.000 0.447 209 N N 1.103 120.111 118.700 0.514 0.000 2.697 209 N HA 0.660 5.400 4.740 0.001 0.000 0.272 209 N C -1.693 173.984 175.510 0.277 0.000 1.381 209 N CA -1.013 52.276 53.050 0.399 0.000 0.797 209 N CB 1.835 40.442 38.487 0.200 0.000 1.523 209 N HN 0.258 nan 8.380 nan 0.000 0.518 210 V N 1.088 121.068 119.914 0.110 0.000 2.384 210 V HA 0.363 4.483 4.120 0.001 0.000 0.287 210 V C -0.452 175.611 176.094 -0.052 0.000 1.020 210 V CA -0.395 61.838 62.300 -0.113 0.000 0.850 210 V CB 1.111 32.857 31.823 -0.129 0.000 0.987 210 V HN 0.614 nan 8.190 nan 0.000 0.436 211 E N 2.381 122.535 120.200 -0.077 0.000 2.281 211 E HA 0.635 4.985 4.350 0.001 0.000 0.262 211 E C 0.059 176.630 176.600 -0.049 0.000 0.933 211 E CA -0.867 55.512 56.400 -0.035 0.000 0.809 211 E CB 2.247 31.941 29.700 -0.010 0.000 1.242 211 E HN 0.772 nan 8.360 nan 0.000 0.418 212 G N 0.086 108.869 108.800 -0.029 0.000 2.339 212 G HA2 0.467 4.427 3.960 0.001 0.000 0.287 212 G HA3 0.467 4.427 3.960 0.001 0.000 0.287 212 G C -0.054 174.829 174.900 -0.027 0.000 1.163 212 G CA -0.220 44.861 45.100 -0.031 0.000 0.872 212 G HN 0.432 nan 8.290 nan 0.000 0.464 216 G N -0.350 108.433 108.800 -0.028 0.000 2.324 216 G HA2 0.491 4.452 3.960 0.001 0.000 0.293 216 G HA3 0.491 4.452 3.960 0.001 0.000 0.293 216 G C -3.289 171.580 174.900 -0.052 0.000 1.297 216 G CA 0.145 45.224 45.100 -0.035 0.000 0.853 216 G HN 0.636 nan 8.290 nan 0.000 0.535 217 P HA 0.442 nan 4.420 nan 0.000 0.271 217 P C -0.555 176.657 177.300 -0.148 0.000 1.216 217 P CA -0.017 63.016 63.100 -0.111 0.000 0.776 217 P CB 1.638 33.259 31.700 -0.131 0.000 0.881 218 V N 2.701 122.507 119.914 -0.180 0.000 2.588 218 V HA 0.504 4.624 4.120 0.001 0.000 0.304 218 V C 0.780 176.665 176.094 -0.348 0.000 1.042 218 V CA -0.649 61.533 62.300 -0.195 0.000 0.877 218 V CB 1.986 33.752 31.823 -0.096 0.000 0.996 218 V HN 0.733 nan 8.190 nan 0.000 0.425 219 G N 3.317 111.818 108.800 -0.498 0.000 2.338 219 G HA2 0.526 4.486 3.960 0.001 0.000 0.295 219 G HA3 0.526 4.486 3.960 0.001 0.000 0.295 219 G C -0.731 174.033 174.900 -0.226 0.000 1.132 219 G CA -0.183 44.398 45.100 -0.865 0.000 0.922 219 G HN 0.553 nan 8.290 nan 0.000 0.427 220 V N 2.724 122.625 119.914 -0.021 0.000 2.409 220 V HA 0.677 4.797 4.120 0.001 0.000 0.291 220 V C 0.170 176.451 176.094 0.312 0.000 1.020 220 V CA -0.651 61.742 62.300 0.155 0.000 0.848 220 V CB 1.565 33.450 31.823 0.104 0.000 0.990 220 V HN 0.997 nan 8.190 nan 0.000 0.430 221 T N 1.915 116.653 114.554 0.305 0.000 2.881 221 T HA 0.731 5.081 4.350 0.001 0.000 0.290 221 T C -0.743 174.186 174.700 0.382 0.000 1.000 221 T CA -0.908 61.392 62.100 0.334 0.000 0.978 221 T CB 2.096 71.106 68.868 0.236 0.000 0.997 221 T HN 0.499 nan 8.240 nan 0.000 0.443 222 R N 3.390 124.092 120.500 0.336 0.000 2.295 222 R HA 0.709 5.050 4.340 0.001 0.000 0.324 222 R C -1.003 175.532 176.300 0.392 0.000 0.968 222 R CA -0.744 55.530 56.100 0.289 0.000 0.837 222 R CB 0.543 30.954 30.300 0.186 0.000 1.133 222 R HN 0.853 nan 8.270 nan 0.000 0.450 223 W N 3.288 124.660 121.300 0.121 0.000 3.074 223 W HA 0.545 5.206 4.660 0.001 0.000 0.332 223 W C -1.749 174.876 176.519 0.175 0.000 1.253 223 W CA -1.055 56.375 57.345 0.141 0.000 1.180 223 W CB 0.578 30.113 29.460 0.124 0.000 1.445 223 W HN 0.589 nan 8.180 nan 0.000 0.573 224 K N 1.131 121.753 120.400 0.370 0.000 2.508 224 K HA 0.836 5.157 4.320 0.001 0.000 0.260 224 K C -1.700 175.185 176.600 0.475 0.000 0.949 224 K CA -0.623 55.797 56.287 0.221 0.000 0.834 224 K CB 3.095 35.690 32.500 0.158 0.000 1.365 224 K HN 0.619 nan 8.250 nan 0.000 0.437 225 F N -1.509 118.566 119.950 0.208 0.000 2.713 225 F HA 0.643 5.170 4.527 0.001 0.000 0.311 225 F C -1.513 174.401 175.800 0.189 0.000 1.141 225 F CA -0.772 57.385 58.000 0.261 0.000 0.939 225 F CB 1.552 40.792 39.000 0.399 0.000 1.325 225 F HN 0.711 nan 8.300 nan 0.000 0.453 226 S N -0.330 115.430 115.700 0.100 0.000 2.599 226 S HA 0.797 5.267 4.470 0.001 0.000 0.294 226 S C -1.371 173.307 174.600 0.129 0.000 1.094 226 S CA -0.548 57.533 58.200 -0.198 0.000 0.931 226 S CB 1.556 64.451 63.200 -0.509 0.000 1.093 226 S HN 1.246 nan 8.310 nan 0.000 0.488 227 H N -0.701 118.275 119.070 -0.157 0.000 2.797 227 H HA 0.909 5.466 4.556 0.001 0.000 0.372 227 H C -0.662 174.567 175.328 -0.165 0.000 1.168 227 H CA -1.262 54.752 56.048 -0.057 0.000 1.163 227 H CB 1.639 31.423 29.762 0.036 0.000 1.778 227 H HN 0.949 nan 8.280 nan 0.000 0.551 228 A N 1.312 124.024 122.820 -0.180 0.000 2.527 228 A HA 0.842 5.162 4.320 0.001 0.000 0.293 228 A C -0.580 176.944 177.584 -0.100 0.000 1.117 228 A CA -0.501 51.420 52.037 -0.195 0.000 0.723 228 A CB 1.666 20.641 19.000 -0.042 0.000 1.313 228 A HN 1.196 nan 8.150 nan 0.000 0.411 229 G N -0.912 107.861 108.800 -0.044 0.000 2.706 229 G HA2 0.517 4.477 3.960 0.001 0.000 0.297 229 G HA3 0.517 4.477 3.960 0.001 0.000 0.297 229 G C 0.319 175.260 174.900 0.068 0.000 1.403 229 G CA 0.401 45.505 45.100 0.007 0.000 0.954 229 G HN 1.516 nan 8.290 nan 0.000 0.500 230 S N -0.373 115.344 115.700 0.029 0.000 2.593 230 S HA 0.413 4.883 4.470 0.001 0.000 0.217 230 S C 1.637 176.250 174.600 0.023 0.000 0.966 230 S CA 0.922 59.130 58.200 0.012 0.000 0.914 230 S CB 0.198 63.359 63.200 -0.065 0.000 0.776 230 S HN 2.390 nan 8.310 nan 0.000 0.523 231 G N 0.088 108.941 108.800 0.089 0.000 2.336 231 G HA2 -0.243 3.717 3.960 0.001 0.000 0.194 231 G HA3 -0.243 3.717 3.960 0.001 0.000 0.194 231 G C 0.672 175.747 174.900 0.292 0.000 0.999 231 G CA -0.011 45.213 45.100 0.207 0.000 0.669 231 G HN 0.481 nan 8.290 nan 0.000 0.482 232 V N 1.212 121.224 119.914 0.162 0.000 2.548 232 V HA 0.050 4.170 4.120 0.001 0.000 0.249 232 V C 1.879 178.045 176.094 0.121 0.000 1.055 232 V CA 1.364 63.775 62.300 0.184 0.000 1.065 232 V CB -0.017 31.855 31.823 0.083 0.000 0.681 232 V HN 0.291 nan 8.190 nan 0.000 0.462 233 V N 2.613 122.580 119.914 0.089 0.000 2.400 233 V HA -0.009 4.112 4.120 0.001 0.000 0.263 233 V C 1.236 177.394 176.094 0.107 0.000 1.026 233 V CA 0.273 62.619 62.300 0.077 0.000 1.077 233 V CB 0.023 31.887 31.823 0.069 0.000 1.054 233 V HN 0.534 nan 8.190 nan 0.000 0.477 234 D N 3.214 123.674 120.400 0.100 0.000 2.219 234 D HA -0.131 4.509 4.640 0.001 0.000 0.205 234 D C 2.133 178.524 176.300 0.152 0.000 0.970 234 D CA 1.452 55.522 54.000 0.117 0.000 0.851 234 D CB 0.180 41.031 40.800 0.085 0.000 0.943 234 D HN 0.732 nan 8.370 nan 0.000 0.488 235 S N 0.623 116.427 115.700 0.173 0.000 2.442 235 S HA -0.107 4.364 4.470 0.001 0.000 0.236 235 S C 2.068 176.831 174.600 0.271 0.000 1.007 235 S CA 0.571 58.920 58.200 0.249 0.000 0.965 235 S CB -0.299 63.088 63.200 0.311 0.000 0.773 235 S HN 0.280 nan 8.310 nan 0.000 0.504 236 I N 0.737 121.392 120.570 0.140 0.000 2.729 236 I HA 0.024 4.194 4.170 0.001 0.000 0.256 236 I C 2.467 178.677 176.117 0.155 0.000 1.115 236 I CA 0.551 61.858 61.300 0.011 0.000 1.446 236 I CB -0.357 37.551 38.000 -0.153 0.000 1.176 236 I HN 0.207 nan 8.210 nan 0.000 0.446 237 S N 0.871 116.703 115.700 0.220 0.000 2.399 237 S HA -0.072 4.399 4.470 0.001 0.000 0.231 237 S C 1.402 176.192 174.600 0.318 0.000 1.022 237 S CA 1.299 59.682 58.200 0.304 0.000 0.983 237 S CB -0.166 63.157 63.200 0.206 0.000 0.803 237 S HN 0.359 nan 8.310 nan 0.000 0.480 238 R N -0.290 120.366 120.500 0.261 0.000 2.700 238 R HA 0.167 4.508 4.340 0.001 0.000 0.399 238 R C 0.990 177.430 176.300 0.234 0.000 1.115 238 R CA -0.340 55.886 56.100 0.210 0.000 1.058 238 R CB -0.063 30.308 30.300 0.118 0.000 1.389 238 R HN 0.469 nan 8.270 nan 0.000 0.582 239 W N 1.261 122.616 121.300 0.092 0.000 2.304 239 W HA -0.240 4.420 4.660 0.000 0.000 0.315 239 W C 0.374 176.932 176.519 0.065 0.000 1.233 239 W CA 2.068 59.433 57.345 0.034 0.000 1.261 239 W CB 0.002 29.426 29.460 -0.059 0.000 1.150 239 W HN 0.055 nan 8.180 nan 0.000 0.494 240 T N 0.321 114.900 114.554 0.041 0.000 2.809 240 T HA -0.226 4.125 4.350 0.001 0.000 0.260 240 T C 1.612 176.263 174.700 -0.083 0.000 1.039 240 T CA 1.669 63.706 62.100 -0.105 0.000 1.141 240 T CB -0.488 68.413 68.868 0.056 0.000 0.869 240 T HN 0.303 nan 8.240 nan 0.000 0.437 241 E N 1.170 121.362 120.200 -0.012 0.000 2.118 241 E HA -0.180 4.170 4.350 0.001 0.000 0.195 241 E C 1.894 178.468 176.600 -0.044 0.000 0.992 241 E CA 1.098 57.482 56.400 -0.026 0.000 0.804 241 E CB -0.189 29.513 29.700 0.005 0.000 0.741 241 E HN 0.490 nan 8.360 nan 0.000 0.458 242 L N -1.368 119.836 121.223 -0.030 0.000 2.610 242 L HA 0.180 4.521 4.340 0.001 0.000 0.232 242 L C 0.459 177.342 176.870 0.021 0.000 1.149 242 L CA 0.807 55.639 54.840 -0.014 0.000 0.872 242 L CB -0.143 41.921 42.059 0.009 0.000 0.992 242 L HN -0.002 nan 8.230 nan 0.000 0.447 243 F N 3.530 123.348 119.950 -0.221 0.000 2.550 243 F HA 0.584 5.111 4.527 0.000 0.000 0.348 243 F C -2.457 173.241 175.800 -0.169 0.000 1.219 243 F CA -3.156 54.714 58.000 -0.217 0.000 1.203 243 F CB 0.893 39.691 39.000 -0.336 0.000 1.436 243 F HN -0.032 nan 8.300 nan 0.000 0.541 244 P HA 0.032 nan 4.420 nan 0.000 0.220 244 P C 1.073 178.112 177.300 -0.434 0.000 1.806 244 P CA 0.385 63.286 63.100 -0.331 0.000 0.976 244 P CB 0.846 32.395 31.700 -0.252 0.000 1.952 245 V N 2.273 121.765 119.914 -0.703 0.000 2.407 245 V HA -0.237 3.884 4.120 0.001 0.000 0.248 245 V C 2.235 178.160 176.094 -0.283 0.000 1.055 245 V CA 2.413 64.330 62.300 -0.638 0.000 1.049 245 V CB -0.421 30.869 31.823 -0.889 0.000 0.662 245 V HN 0.195 nan 8.190 nan 0.000 0.455 246 E N -1.120 118.954 120.200 -0.210 0.000 2.204 246 E HA -0.171 4.179 4.350 0.001 0.000 0.194 246 E C 2.182 178.762 176.600 -0.033 0.000 0.989 246 E CA 1.133 57.476 56.400 -0.094 0.000 0.824 246 E CB -0.321 29.337 29.700 -0.070 0.000 0.756 246 E HN 0.771 nan 8.360 nan 0.000 0.477 247 Q N -0.848 118.927 119.800 -0.041 0.000 2.435 247 Q HA 0.109 4.449 4.340 0.001 0.000 0.207 247 Q C 0.771 176.910 176.000 0.232 0.000 0.956 247 Q CA 0.197 56.050 55.803 0.084 0.000 0.917 247 Q CB -0.021 28.710 28.738 -0.011 0.000 0.997 247 Q HN 0.299 nan 8.270 nan 0.000 0.497 248 L N 3.424 124.697 121.223 0.083 0.000 2.387 248 L HA 0.063 4.404 4.340 0.001 0.000 0.267 248 L C 0.561 177.546 176.870 0.191 0.000 1.197 248 L CA 0.017 54.966 54.840 0.182 0.000 1.070 248 L CB -0.063 42.007 42.059 0.018 0.000 1.349 248 L HN 0.042 nan 8.230 nan 0.000 0.422 249 N N 2.682 121.534 118.700 0.252 0.000 2.230 249 N HA 0.062 4.802 4.740 0.001 0.000 0.202 249 N C -0.439 175.112 175.510 0.069 0.000 1.119 249 N CA -0.224 52.893 53.050 0.112 0.000 0.851 249 N CB 0.214 38.738 38.487 0.061 0.000 0.990 249 N HN 0.636 nan 8.380 nan 0.000 0.497 250 K N -1.639 118.844 120.400 0.138 0.000 2.607 250 K HA 0.509 4.829 4.320 0.001 0.000 0.287 250 K C -3.474 173.253 176.600 0.211 0.000 0.996 250 K CA -1.611 54.717 56.287 0.068 0.000 0.876 250 K CB 0.765 33.194 32.500 -0.118 0.000 1.496 250 K HN -0.300 nan 8.250 nan 0.000 0.415 251 P HA 0.110 nan 4.420 nan 0.000 0.268 251 P C -1.179 176.316 177.300 0.326 0.000 1.204 251 P CA -0.102 63.107 63.100 0.182 0.000 0.768 251 P CB 0.901 32.657 31.700 0.094 0.000 0.842 252 A N 2.470 125.446 122.820 0.261 0.000 2.337 252 A HA 0.801 5.121 4.320 0.001 0.000 0.331 252 A C -0.378 177.248 177.584 0.070 0.000 1.137 252 A CA -0.284 51.869 52.037 0.195 0.000 0.807 252 A CB 1.060 20.021 19.000 -0.065 0.000 1.250 252 A HN 0.557 nan 8.150 nan 0.000 0.468 253 S N 0.270 116.003 115.700 0.055 0.000 2.547 253 S HA 0.772 5.243 4.470 0.001 0.000 0.270 253 S C -1.017 173.585 174.600 0.004 0.000 1.150 253 S CA -0.503 57.701 58.200 0.007 0.000 0.850 253 S CB 1.032 64.244 63.200 0.019 0.000 1.118 253 S HN 1.360 nan 8.310 nan 0.000 0.461 254 I N 0.633 121.194 120.570 -0.017 0.000 2.827 254 I HA 0.672 4.843 4.170 0.001 0.000 0.298 254 I C -1.561 174.556 176.117 0.000 0.000 1.235 254 I CA -0.345 60.955 61.300 0.000 0.000 1.021 254 I CB 2.108 40.108 38.000 -0.001 0.000 1.259 254 I HN 1.034 nan 8.210 nan 0.000 0.427 255 E N 4.362 124.572 120.200 0.017 0.000 2.356 255 E HA 0.758 5.108 4.350 0.001 0.000 0.275 255 E C -1.559 175.064 176.600 0.038 0.000 0.904 255 E CA -0.799 55.613 56.400 0.019 0.000 0.757 255 E CB 2.327 32.035 29.700 0.013 0.000 1.232 255 E HN 0.772 nan 8.360 nan 0.000 0.442 256 G N 0.749 109.576 108.800 0.044 0.000 2.659 256 G HA2 0.718 4.679 3.960 0.001 0.000 0.296 256 G HA3 0.718 4.679 3.960 0.001 0.000 0.296 256 G C -1.041 173.892 174.900 0.055 0.000 1.369 256 G CA -0.476 44.666 45.100 0.070 0.000 0.937 256 G HN 0.587 nan 8.290 nan 0.000 0.485 257 G N -0.704 108.141 108.800 0.074 0.000 2.706 257 G HA2 0.806 4.767 3.960 0.001 0.000 0.297 257 G HA3 0.806 4.767 3.960 0.001 0.000 0.297 257 G C -1.231 173.747 174.900 0.130 0.000 1.403 257 G CA -0.635 44.477 45.100 0.021 0.000 0.954 257 G HN 1.304 nan 8.290 nan 0.000 0.500 258 F N -0.488 119.486 119.950 0.040 0.000 2.626 258 F HA 0.890 5.417 4.527 0.001 0.000 0.311 258 F C -0.659 175.162 175.800 0.036 0.000 1.088 258 F CA -1.775 56.249 58.000 0.041 0.000 0.949 258 F CB 1.748 40.777 39.000 0.048 0.000 1.322 258 F HN 0.454 nan 8.300 nan 0.000 0.461 259 R N 1.493 122.194 120.500 0.336 0.000 2.561 259 R HA 0.739 5.079 4.340 0.001 0.000 0.297 259 R C -1.354 175.117 176.300 0.284 0.000 0.969 259 R CA -0.896 55.347 56.100 0.238 0.000 0.879 259 R CB 2.256 32.622 30.300 0.111 0.000 1.178 259 R HN 1.001 nan 8.270 nan 0.000 0.445 260 S N 0.923 116.781 115.700 0.263 0.000 2.564 260 S HA 0.677 5.147 4.470 0.001 0.000 0.274 260 S C -1.231 173.438 174.600 0.115 0.000 1.124 260 S CA -0.861 57.438 58.200 0.166 0.000 0.869 260 S CB 2.490 65.772 63.200 0.138 0.000 1.105 260 S HN 0.659 nan 8.310 nan 0.000 0.472 261 D N -0.163 120.282 120.400 0.075 0.000 2.921 261 D HA 0.345 4.985 4.640 0.001 0.000 0.329 261 D C 0.634 176.957 176.300 0.038 0.000 1.293 261 D CA 0.047 54.080 54.000 0.055 0.000 0.964 261 D CB 0.189 41.019 40.800 0.050 0.000 1.435 261 D HN 0.605 nan 8.370 nan 0.000 0.548 262 S N -1.844 113.873 115.700 0.029 0.000 2.607 262 S HA -0.011 4.460 4.470 0.001 0.000 0.224 262 S C 1.241 175.854 174.600 0.022 0.000 0.969 262 S CA 1.198 59.410 58.200 0.020 0.000 0.927 262 S CB -0.668 62.539 63.200 0.012 0.000 0.772 262 S HN 0.612 nan 8.310 nan 0.000 0.533 263 Q N -0.638 119.179 119.800 0.028 0.000 2.211 263 Q HA 0.572 4.913 4.340 0.001 0.000 0.242 263 Q C 0.549 176.570 176.000 0.036 0.000 0.825 263 Q CA 0.101 55.922 55.803 0.030 0.000 0.951 263 Q CB 0.075 28.830 28.738 0.030 0.000 1.130 263 Q HN 0.866 nan 8.270 nan 0.000 0.496 264 G N -0.087 108.736 108.800 0.039 0.000 2.523 264 G HA2 0.598 4.558 3.960 0.001 0.000 0.291 264 G HA3 0.598 4.558 3.960 0.001 0.000 0.291 264 G C -1.686 173.242 174.900 0.046 0.000 1.450 264 G CA -0.718 44.407 45.100 0.042 0.000 0.790 264 G HN 0.312 nan 8.290 nan 0.000 0.496 265 I N 0.311 120.906 120.570 0.042 0.000 2.533 265 I HA 0.465 4.636 4.170 0.001 0.000 0.290 265 I C -0.724 175.431 176.117 0.063 0.000 1.056 265 I CA -0.668 60.659 61.300 0.045 0.000 1.057 265 I CB 2.539 40.539 38.000 -0.001 0.000 1.240 265 I HN 0.424 nan 8.210 nan 0.000 0.423 266 E N 4.990 125.249 120.200 0.099 0.000 2.256 266 E HA 0.691 5.041 4.350 0.001 0.000 0.268 266 E C -1.509 175.179 176.600 0.146 0.000 0.877 266 E CA -0.734 55.727 56.400 0.103 0.000 0.757 266 E CB 3.624 33.380 29.700 0.092 0.000 1.183 266 E HN 0.292 nan 8.360 nan 0.000 0.418 267 V N 2.430 122.420 119.914 0.127 0.000 3.012 267 V HA 0.543 4.663 4.120 0.001 0.000 0.307 267 V C -1.865 174.302 176.094 0.122 0.000 1.166 267 V CA -0.511 61.884 62.300 0.159 0.000 0.974 267 V CB 2.054 33.970 31.823 0.155 0.000 1.040 267 V HN 0.597 nan 8.190 nan 0.000 0.428 268 K N 4.254 124.726 120.400 0.121 0.000 2.468 268 K HA 0.796 5.116 4.320 0.001 0.000 0.252 268 K C -1.881 174.779 176.600 0.099 0.000 0.932 268 K CA -0.688 55.658 56.287 0.098 0.000 0.794 268 K CB 2.617 35.160 32.500 0.073 0.000 1.241 268 K HN 0.488 nan 8.250 nan 0.000 0.428 269 V N 1.620 121.594 119.914 0.099 0.000 2.709 269 V HA 0.406 4.526 4.120 0.001 0.000 0.308 269 V C -1.070 175.070 176.094 0.077 0.000 1.062 269 V CA -0.718 61.635 62.300 0.087 0.000 0.901 269 V CB 2.088 33.967 31.823 0.095 0.000 1.003 269 V HN 0.811 nan 8.190 nan 0.000 0.425 270 D N 2.122 122.558 120.400 0.060 0.000 2.936 270 D HA 0.669 5.309 4.640 0.001 0.000 0.238 270 D C -0.488 175.840 176.300 0.045 0.000 1.248 270 D CA 0.007 54.039 54.000 0.054 0.000 0.903 270 D CB 2.681 43.510 40.800 0.048 0.000 1.544 270 D HN 0.825 nan 8.370 nan 0.000 0.543 271 G N 1.674 110.502 108.800 0.047 0.000 2.684 271 G HA2 0.416 4.376 3.960 0.001 0.000 0.290 271 G HA3 0.416 4.376 3.960 0.001 0.000 0.290 271 G C -1.621 173.318 174.900 0.064 0.000 1.425 271 G CA -0.778 44.348 45.100 0.044 0.000 0.822 271 G HN 0.459 nan 8.290 nan 0.000 0.482 272 N N -0.310 118.443 118.700 0.088 0.000 2.533 272 N HA 0.565 5.305 4.740 0.001 0.000 0.289 272 N C -1.089 174.531 175.510 0.183 0.000 1.103 272 N CA -0.546 52.611 53.050 0.178 0.000 0.877 272 N CB 1.697 40.309 38.487 0.209 0.000 1.419 272 N HN 0.759 nan 8.380 nan 0.000 0.517 273 L N 0.517 121.763 121.223 0.039 0.000 2.653 273 L HA 0.771 5.111 4.340 0.001 0.000 0.257 273 L C -3.091 173.286 176.870 -0.822 0.000 0.969 273 L CA -1.745 52.812 54.840 -0.471 0.000 0.869 273 L CB 2.326 44.220 42.059 -0.274 0.000 1.439 273 L HN 0.213 nan 8.230 nan 0.000 0.414 274 P HA 0.269 nan 4.420 nan 0.000 0.274 274 P C 0.642 177.657 177.300 -0.476 0.000 1.246 274 P CA 1.100 63.535 63.100 -1.109 0.000 0.795 274 P CB 1.220 32.242 31.700 -1.131 0.000 1.006 275 G N -0.187 108.440 108.800 -0.289 0.000 2.157 275 G HA2 -0.250 3.710 3.960 0.001 0.000 0.239 275 G HA3 -0.250 3.710 3.960 0.001 0.000 0.239 275 G C 0.735 175.569 174.900 -0.110 0.000 0.982 275 G CA 0.142 45.143 45.100 -0.164 0.000 0.650 275 G HN 0.365 nan 8.290 nan 0.000 0.527 276 V N 0.891 120.748 119.914 -0.095 0.000 2.548 276 V HA 0.114 4.234 4.120 0.001 0.000 0.249 276 V C 1.872 177.951 176.094 -0.025 0.000 1.055 276 V CA 2.239 64.503 62.300 -0.060 0.000 1.065 276 V CB -0.136 31.663 31.823 -0.040 0.000 0.681 276 V HN 1.138 nan 8.190 nan 0.000 0.462 277 S N -0.063 115.647 115.700 0.016 0.000 2.704 277 S HA 0.786 5.256 4.470 0.001 0.000 0.305 277 S C -0.545 174.074 174.600 0.032 0.000 1.107 277 S CA -0.772 57.471 58.200 0.073 0.000 0.993 277 S CB 2.891 66.213 63.200 0.203 0.000 1.110 277 S HN 0.373 nan 8.310 nan 0.000 0.534 278 R N -0.026 120.488 120.500 0.023 0.000 2.668 278 R HA 0.343 4.683 4.340 0.001 0.000 0.272 278 R C -1.925 174.355 176.300 -0.033 0.000 1.019 278 R CA -0.530 55.565 56.100 -0.010 0.000 0.894 278 R CB 1.495 31.782 30.300 -0.021 0.000 1.228 278 R HN 0.805 nan 8.270 nan 0.000 0.460 279 D N 2.032 122.412 120.400 -0.033 0.000 2.487 279 D HA 0.077 4.718 4.640 0.001 0.000 0.243 279 D C 0.025 176.293 176.300 -0.054 0.000 1.154 279 D CA 0.633 54.604 54.000 -0.049 0.000 0.876 279 D CB 1.561 42.343 40.800 -0.031 0.000 1.161 279 D HN 0.586 nan 8.370 nan 0.000 0.478 280 A N 3.005 125.781 122.820 -0.073 0.000 2.390 280 A HA 0.582 4.902 4.320 0.001 0.000 0.232 280 A C 1.029 178.580 177.584 -0.055 0.000 1.233 280 A CA 0.621 52.620 52.037 -0.063 0.000 0.907 280 A CB -0.416 18.540 19.000 -0.073 0.000 0.967 280 A HN 1.048 nan 8.150 nan 0.000 0.512 281 G N -2.161 106.608 108.800 -0.053 0.000 2.712 281 G HA2 0.390 4.350 3.960 0.001 0.000 0.686 281 G HA3 0.390 4.350 3.960 0.001 0.000 0.686 281 G C 1.017 175.888 174.900 -0.049 0.000 1.321 281 G CA 0.185 45.259 45.100 -0.044 0.000 0.813 281 G HN 2.030 nan 8.290 nan 0.000 0.599 282 G N -0.900 107.876 108.800 -0.040 0.000 2.168 282 G HA2 0.345 4.306 3.960 0.001 0.000 0.257 282 G HA3 0.345 4.306 3.960 0.001 0.000 0.257 282 G C 2.005 176.878 174.900 -0.045 0.000 0.997 282 G CA 1.115 46.191 45.100 -0.040 0.000 0.708 282 G HN 3.167 nan 8.290 nan 0.000 0.520 283 G N -1.950 106.821 108.800 -0.049 0.000 2.159 283 G HA2 -0.207 3.753 3.960 0.001 0.000 0.256 283 G HA3 -0.207 3.753 3.960 0.001 0.000 0.256 283 G C 0.370 175.220 174.900 -0.083 0.000 0.977 283 G CA 0.708 45.773 45.100 -0.058 0.000 0.652 283 G HN 1.324 nan 8.290 nan 0.000 0.531 284 L N -0.441 120.725 121.223 -0.095 0.000 2.352 284 L HA 0.799 5.139 4.340 0.001 0.000 0.269 284 L C 0.906 177.654 176.870 -0.203 0.000 1.034 284 L CA -1.119 53.636 54.840 -0.142 0.000 0.806 284 L CB 1.403 43.400 42.059 -0.103 0.000 1.244 284 L HN 0.096 nan 8.230 nan 0.000 0.447 285 R N 0.655 120.922 120.500 -0.389 0.000 2.854 285 R HA 0.647 4.987 4.340 0.001 0.000 0.271 285 R C -1.167 174.912 176.300 -0.367 0.000 0.994 285 R CA -0.995 54.840 56.100 -0.442 0.000 0.945 285 R CB 2.709 32.581 30.300 -0.713 0.000 1.194 285 R HN 0.633 nan 8.270 nan 0.000 0.476 286 R N 0.599 121.027 120.500 -0.119 0.000 2.807 286 R HA 0.462 4.802 4.340 0.001 0.000 0.276 286 R C -0.337 176.036 176.300 0.121 0.000 0.979 286 R CA -0.944 55.173 56.100 0.028 0.000 0.928 286 R CB 0.826 31.118 30.300 -0.013 0.000 1.191 286 R HN 0.261 nan 8.270 nan 0.000 0.471 287 I N 3.696 124.317 120.570 0.084 0.000 2.752 287 I HA -0.033 4.137 4.170 0.001 0.000 0.287 287 I C 1.137 177.223 176.117 -0.053 0.000 1.188 287 I CA -0.161 61.125 61.300 -0.023 0.000 1.427 287 I CB -0.127 37.777 38.000 -0.160 0.000 1.365 287 I HN 0.696 nan 8.210 nan 0.000 0.585 288 L N 5.336 126.527 121.223 -0.055 0.000 2.506 288 L HA 0.155 4.495 4.340 0.001 0.000 0.281 288 L C 0.564 177.396 176.870 -0.063 0.000 1.228 288 L CA -0.271 54.536 54.840 -0.056 0.000 0.850 288 L CB -0.042 41.978 42.059 -0.065 0.000 1.110 288 L HN 0.438 nan 8.230 nan 0.000 0.496 289 N N 1.364 120.043 118.700 -0.035 0.000 2.356 289 N HA -0.074 4.666 4.740 0.001 0.000 0.252 289 N C -0.044 175.477 175.510 0.017 0.000 1.241 289 N CA 0.122 53.171 53.050 -0.001 0.000 0.861 289 N CB -0.023 38.467 38.487 0.005 0.000 1.075 289 N HN 0.650 nan 8.380 nan 0.000 0.461 290 H N 3.665 122.746 119.070 0.019 0.000 3.004 290 H HA 0.076 4.632 4.556 0.001 0.000 0.316 290 H C -1.956 173.395 175.328 0.038 0.000 1.014 290 H CA -1.010 55.066 56.048 0.047 0.000 1.454 290 H CB 0.425 30.268 29.762 0.135 0.000 1.472 290 H HN 0.360 nan 8.280 nan 0.000 0.571 291 P HA -0.022 nan 4.420 nan 0.000 0.269 291 P C 0.756 178.199 177.300 0.237 0.000 1.209 291 P CA -0.050 63.109 63.100 0.098 0.000 0.776 291 P CB 1.241 32.945 31.700 0.006 0.000 0.876 292 L N 1.896 123.202 121.223 0.139 0.000 2.298 292 L HA -0.003 4.338 4.340 0.001 0.000 0.209 292 L C 2.361 179.249 176.870 0.030 0.000 1.084 292 L CA 0.349 55.257 54.840 0.113 0.000 0.816 292 L CB -0.423 41.714 42.059 0.131 0.000 0.967 292 L HN 0.289 nan 8.230 nan 0.000 0.460 293 I N 0.960 121.507 120.570 -0.038 0.000 2.208 293 I HA -0.166 4.004 4.170 0.001 0.000 0.245 293 I C -0.050 175.937 176.117 -0.217 0.000 1.097 293 I CA 1.822 62.974 61.300 -0.246 0.000 1.363 293 I CB -2.153 35.654 38.000 -0.321 0.000 1.051 293 I HN 0.142 nan 8.210 nan 0.000 0.413 294 P HA -0.139 nan 4.420 nan 0.000 0.215 294 P C 2.222 179.551 177.300 0.048 0.000 1.153 294 P CA 1.359 64.476 63.100 0.028 0.000 0.853 294 P CB -0.016 31.739 31.700 0.091 0.000 0.788 295 L N -1.512 119.722 121.223 0.018 0.000 2.027 295 L HA -0.121 4.219 4.340 0.001 0.000 0.206 295 L C 2.373 179.240 176.870 -0.005 0.000 1.074 295 L CA 1.289 56.103 54.840 -0.043 0.000 0.745 295 L CB -1.178 40.801 42.059 -0.133 0.000 0.898 295 L HN -0.132 nan 8.230 nan 0.000 0.433 296 V N -0.693 119.224 119.914 0.005 0.000 2.307 296 V HA -0.288 3.832 4.120 0.001 0.000 0.245 296 V C 2.322 178.496 176.094 0.135 0.000 1.045 296 V CA 1.766 64.090 62.300 0.040 0.000 1.024 296 V CB -0.793 31.057 31.823 0.044 0.000 0.651 296 V HN 0.470 nan 8.190 nan 0.000 0.449 297 H N -1.393 117.676 119.070 -0.001 0.000 2.357 297 H HA -0.154 4.402 4.556 0.001 0.000 0.301 297 H C 2.388 177.707 175.328 -0.015 0.000 1.082 297 H CA 1.386 57.428 56.048 -0.009 0.000 1.342 297 H CB -0.028 29.741 29.762 0.010 0.000 1.389 297 H HN 0.447 nan 8.280 nan 0.000 0.511 298 H N 0.876 119.980 119.070 0.057 0.000 2.456 298 H HA -0.074 4.482 4.556 0.001 0.000 0.296 298 H C 2.202 177.471 175.328 -0.098 0.000 1.079 298 H CA 1.113 57.139 56.048 -0.036 0.000 1.322 298 H CB -0.179 29.550 29.762 -0.056 0.000 1.388 298 H HN 0.437 nan 8.280 nan 0.000 0.538 299 G N 0.506 109.286 108.800 -0.032 0.000 2.479 299 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 299 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 299 G C 1.738 176.503 174.900 -0.226 0.000 1.115 299 G CA 0.567 45.591 45.100 -0.128 0.000 0.757 299 G HN 0.395 nan 8.290 nan 0.000 0.560 300 M N 0.457 119.944 119.600 -0.188 0.000 2.557 300 M HA 0.057 4.537 4.480 0.001 0.000 0.259 300 M C 2.093 178.195 176.300 -0.330 0.000 1.086 300 M CA 0.762 55.946 55.300 -0.194 0.000 1.096 300 M CB 0.293 32.832 32.600 -0.102 0.000 1.424 300 M HN 0.255 nan 8.290 nan 0.000 0.488 301 V N -5.389 114.240 119.914 -0.475 0.000 3.604 301 V HA 0.403 4.524 4.120 0.001 0.000 0.277 301 V C 1.578 177.209 176.094 -0.773 0.000 1.399 301 V CA 0.600 62.553 62.300 -0.579 0.000 1.034 301 V CB -0.560 31.079 31.823 -0.306 0.000 0.824 301 V HN 0.292 nan 8.190 nan 0.000 0.439 302 G N 0.656 109.052 108.800 -0.673 0.000 2.920 302 G HA2 0.086 4.047 3.960 0.001 0.000 0.208 302 G HA3 0.086 4.047 3.960 0.001 0.000 0.208 302 G C 1.063 175.802 174.900 -0.268 0.000 1.159 302 G CA 0.111 44.971 45.100 -0.399 0.000 0.784 302 G HN 0.559 nan 8.290 nan 0.000 0.535 303 K N 0.015 120.113 120.400 -0.503 0.000 2.399 303 K HA 0.241 4.562 4.320 0.001 0.000 0.204 303 K C 0.385 176.904 176.600 -0.136 0.000 1.023 303 K CA -0.339 55.780 56.287 -0.280 0.000 1.127 303 K CB 0.287 32.628 32.500 -0.265 0.000 0.856 303 K HN 0.218 nan 8.250 nan 0.000 0.514 304 F N 0.969 120.925 119.950 0.009 0.000 2.776 304 F HA 0.193 4.720 4.527 0.001 0.000 0.300 304 F C -0.127 175.689 175.800 0.026 0.000 1.116 304 F CA -0.466 57.535 58.000 0.002 0.000 1.375 304 F CB -0.106 38.880 39.000 -0.023 0.000 1.109 304 F HN -0.109 nan 8.300 nan 0.000 0.585 305 N N -0.767 118.059 118.700 0.211 0.000 2.324 305 N HA 0.153 4.893 4.740 0.001 0.000 0.285 305 N C -1.609 174.025 175.510 0.208 0.000 1.076 305 N CA -0.677 52.478 53.050 0.174 0.000 0.864 305 N CB 1.651 40.230 38.487 0.154 0.000 1.632 305 N HN -0.207 nan 8.380 nan 0.000 0.478 306 D N 1.140 121.612 120.400 0.120 0.000 2.399 306 D HA 0.356 4.996 4.640 0.001 0.000 0.241 306 D C -1.090 175.293 176.300 0.140 0.000 1.133 306 D CA 0.320 54.346 54.000 0.045 0.000 0.890 306 D CB 0.386 41.177 40.800 -0.016 0.000 1.201 306 D HN 0.335 nan 8.370 nan 0.000 0.432 307 F N -0.905 119.032 119.950 -0.022 0.000 2.654 307 F HA 0.544 5.071 4.527 0.001 0.000 0.308 307 F C -0.920 174.857 175.800 -0.039 0.000 1.108 307 F CA -0.995 56.986 58.000 -0.032 0.000 0.957 307 F CB 0.971 39.949 39.000 -0.037 0.000 1.309 307 F HN 0.053 nan 8.300 nan 0.000 0.446 308 T N 2.033 116.659 114.554 0.120 0.000 2.907 308 T HA 0.588 4.938 4.350 0.001 0.000 0.284 308 T C -0.616 174.182 174.700 0.164 0.000 1.004 308 T CA -0.607 61.522 62.100 0.048 0.000 1.063 308 T CB 1.826 70.704 68.868 0.016 0.000 0.992 308 T HN 0.561 nan 8.240 nan 0.000 0.483 309 V N 2.757 122.741 119.914 0.117 0.000 2.439 309 V HA 0.373 4.493 4.120 0.001 0.000 0.282 309 V C -0.180 175.951 176.094 0.062 0.000 1.039 309 V CA -0.490 61.888 62.300 0.130 0.000 0.913 309 V CB 1.487 33.386 31.823 0.127 0.000 0.983 309 V HN 0.902 nan 8.190 nan 0.000 0.460 310 D N 3.072 123.491 120.400 0.030 0.000 2.404 310 D HA 0.380 5.020 4.640 0.001 0.000 0.267 310 D C -0.512 175.851 176.300 0.105 0.000 1.194 310 D CA -0.031 54.011 54.000 0.071 0.000 0.910 310 D CB 1.280 42.122 40.800 0.071 0.000 1.090 310 D HN 0.547 nan 8.370 nan 0.000 0.511 311 T N 2.071 116.712 114.554 0.146 0.000 2.900 311 T HA 0.571 4.921 4.350 0.001 0.000 0.295 311 T C -1.574 173.274 174.700 0.246 0.000 1.044 311 T CA -0.503 61.699 62.100 0.170 0.000 0.995 311 T CB 1.581 70.599 68.868 0.250 0.000 1.072 311 T HN 0.345 nan 8.240 nan 0.000 0.473 312 Q N 2.746 122.651 119.800 0.174 0.000 2.315 312 Q HA 0.663 5.003 4.340 0.001 0.000 0.273 312 Q C -2.047 174.075 176.000 0.203 0.000 1.053 312 Q CA -0.900 55.026 55.803 0.205 0.000 0.817 312 Q CB 2.045 30.857 28.738 0.122 0.000 1.326 312 Q HN 0.593 nan 8.270 nan 0.000 0.423 313 L N 2.771 124.138 121.223 0.240 0.000 2.341 313 L HA 0.608 4.948 4.340 0.001 0.000 0.278 313 L C -1.676 175.370 176.870 0.293 0.000 1.005 313 L CA -0.066 54.939 54.840 0.276 0.000 0.818 313 L CB 1.571 43.726 42.059 0.159 0.000 1.259 313 L HN 0.508 nan 8.230 nan 0.000 0.418 314 K N 6.720 127.269 120.400 0.248 0.000 2.376 314 K HA 0.585 4.905 4.320 0.001 0.000 0.257 314 K C -1.341 175.390 176.600 0.218 0.000 0.939 314 K CA -0.531 55.899 56.287 0.239 0.000 0.809 314 K CB 2.192 34.776 32.500 0.140 0.000 1.121 314 K HN 0.572 nan 8.250 nan 0.000 0.425 315 I N 2.781 123.527 120.570 0.292 0.000 2.406 315 I HA 0.254 4.425 4.170 0.001 0.000 0.290 315 I C -0.522 175.689 176.117 0.157 0.000 0.999 315 I CA -1.240 60.170 61.300 0.184 0.000 1.124 315 I CB 2.043 40.146 38.000 0.172 0.000 1.289 315 I HN 0.169 nan 8.210 nan 0.000 0.441 316 V N 7.161 127.107 119.914 0.054 0.000 2.311 316 V HA 0.365 4.485 4.120 0.001 0.000 0.275 316 V C 0.375 176.438 176.094 -0.052 0.000 1.022 316 V CA -0.525 61.789 62.300 0.023 0.000 0.830 316 V CB 1.138 32.963 31.823 0.003 0.000 1.012 316 V HN 0.517 nan 8.190 nan 0.000 0.452 317 L N 6.230 127.427 121.223 -0.042 0.000 2.466 317 L HA 0.379 4.720 4.340 0.001 0.000 0.257 317 L C -2.070 174.703 176.870 -0.160 0.000 1.189 317 L CA -1.662 53.067 54.840 -0.186 0.000 0.813 317 L CB 0.543 42.548 42.059 -0.090 0.000 1.118 317 L HN 0.374 nan 8.230 nan 0.000 0.471 318 P HA 0.031 nan 4.420 nan 0.000 0.272 318 P C -0.983 176.292 177.300 -0.043 0.000 1.223 318 P CA -0.466 62.465 63.100 -0.282 0.000 0.784 318 P CB 0.434 31.727 31.700 -0.678 0.000 0.923 319 K N 1.515 121.937 120.400 0.037 0.000 2.491 319 K HA 0.189 4.509 4.320 0.001 0.000 0.279 319 K C 1.240 177.989 176.600 0.248 0.000 1.026 319 K CA 1.375 57.730 56.287 0.113 0.000 1.070 319 K CB -0.924 31.621 32.500 0.074 0.000 0.887 319 K HN 0.748 nan 8.250 nan 0.000 0.481 320 G N 2.719 111.643 108.800 0.206 0.000 2.199 320 G HA2 -0.308 3.652 3.960 0.001 0.000 0.254 320 G HA3 -0.308 3.652 3.960 0.001 0.000 0.254 320 G C -0.272 174.761 174.900 0.221 0.000 0.982 320 G CA 0.219 45.428 45.100 0.181 0.000 0.632 320 G HN 0.621 nan 8.290 nan 0.000 0.529 321 Y N 1.487 121.842 120.300 0.093 0.000 2.316 321 Y HA 0.556 5.106 4.550 0.001 0.000 0.324 321 Y C 1.004 176.991 175.900 0.146 0.000 1.267 321 Y CA 0.162 58.345 58.100 0.137 0.000 1.311 321 Y CB 1.013 39.592 38.460 0.199 0.000 1.267 321 Y HN 0.299 nan 8.280 nan 0.000 0.516 322 K N 1.499 122.073 120.400 0.291 0.000 2.477 322 K HA 0.454 4.775 4.320 0.001 0.000 0.255 322 K C -1.507 175.180 176.600 0.145 0.000 0.952 322 K CA -0.871 55.548 56.287 0.220 0.000 0.826 322 K CB 1.739 34.350 32.500 0.184 0.000 1.331 322 K HN 0.425 nan 8.250 nan 0.000 0.437 323 I N 3.073 123.598 120.570 -0.074 0.000 2.618 323 I HA 0.033 4.203 4.170 0.001 0.000 0.284 323 I C 1.293 177.477 176.117 0.112 0.000 1.146 323 I CA 0.015 61.273 61.300 -0.070 0.000 1.425 323 I CB 0.431 38.220 38.000 -0.351 0.000 1.383 323 I HN 0.674 nan 8.210 nan 0.000 0.562 324 R N 4.836 125.430 120.500 0.156 0.000 2.195 324 R HA 0.118 4.459 4.340 0.001 0.000 0.197 324 R C -0.419 176.029 176.300 0.248 0.000 0.990 324 R CA 0.421 56.621 56.100 0.167 0.000 1.048 324 R CB 0.165 30.538 30.300 0.121 0.000 0.997 324 R HN 0.653 nan 8.270 nan 0.000 0.502 325 Y N -0.464 119.897 120.300 0.102 0.000 2.424 325 Y HA 0.522 5.072 4.550 0.001 0.000 0.323 325 Y C -1.997 173.994 175.900 0.152 0.000 1.174 325 Y CA -1.205 56.956 58.100 0.101 0.000 1.060 325 Y CB 1.656 40.153 38.460 0.062 0.000 1.314 325 Y HN 0.047 nan 8.280 nan 0.000 0.439 326 A N 3.859 126.434 122.820 -0.409 0.000 2.459 326 A HA 0.956 5.277 4.320 0.001 0.000 0.296 326 A C -1.802 175.541 177.584 -0.402 0.000 1.039 326 A CA -0.107 51.813 52.037 -0.196 0.000 0.698 326 A CB 1.112 20.363 19.000 0.417 0.000 1.261 326 A HN 1.668 nan 8.150 nan 0.000 0.405 327 A N 3.458 126.145 122.820 -0.223 0.000 2.442 327 A HA 0.799 5.119 4.320 0.001 0.000 0.284 327 A C -3.172 174.436 177.584 0.039 0.000 1.058 327 A CA -1.405 50.556 52.037 -0.125 0.000 0.738 327 A CB 0.991 19.881 19.000 -0.183 0.000 1.242 327 A HN 0.484 nan 8.150 nan 0.000 0.421 328 P HA 0.160 nan 4.420 nan 0.000 0.267 328 P C 0.199 177.596 177.300 0.163 0.000 1.200 328 P CA 0.142 63.211 63.100 -0.052 0.000 0.772 328 P CB 0.540 32.180 31.700 -0.100 0.000 0.855 329 Q N 2.920 122.726 119.800 0.011 0.000 2.373 329 Q HA 0.223 4.563 4.340 0.001 0.000 0.255 329 Q C -0.179 175.647 176.000 -0.289 0.000 0.980 329 Q CA -0.463 55.239 55.803 -0.168 0.000 0.882 329 Q CB -0.412 28.113 28.738 -0.356 0.000 1.249 329 Q HN 0.359 nan 8.270 nan 0.000 0.438 330 F N 1.460 121.074 119.950 -0.561 0.000 2.545 330 F HA 0.431 4.959 4.527 0.000 0.000 0.348 330 F C 1.239 176.683 175.800 -0.593 0.000 1.163 330 F CA -0.696 56.517 58.000 -1.311 0.000 1.331 330 F CB 0.518 38.664 39.000 -1.423 0.000 1.138 330 F HN 0.637 nan 8.300 nan 0.000 0.602 331 R N 1.254 121.590 120.500 -0.273 0.000 2.075 331 R HA 0.135 4.475 4.340 0.001 0.000 0.226 331 R C -0.208 176.100 176.300 0.014 0.000 1.114 331 R CA 1.248 57.291 56.100 -0.094 0.000 0.972 331 R CB -0.249 30.022 30.300 -0.049 0.000 0.869 331 R HN 0.949 nan 8.270 nan 0.000 0.437 332 S N -1.055 114.671 115.700 0.044 0.000 2.596 332 S HA 0.612 5.083 4.470 0.001 0.000 0.270 332 S C -1.712 172.777 174.600 -0.185 0.000 1.155 332 S CA -0.985 57.219 58.200 0.008 0.000 0.827 332 S CB 1.945 65.117 63.200 -0.048 0.000 1.130 332 S HN 0.195 nan 8.310 nan 0.000 0.467 333 Q N 0.807 120.437 119.800 -0.283 0.000 2.482 333 Q HA 0.705 5.046 4.340 0.001 0.000 0.286 333 Q C -1.664 174.083 176.000 -0.422 0.000 1.007 333 Q CA -0.726 54.693 55.803 -0.640 0.000 0.801 333 Q CB 1.285 29.348 28.738 -1.125 0.000 1.455 333 Q HN 0.695 nan 8.270 nan 0.000 0.398 334 N N 2.276 120.685 118.700 -0.484 0.000 2.616 334 N HA 0.336 5.077 4.740 0.001 0.000 0.281 334 N C -0.469 174.861 175.510 -0.300 0.000 1.145 334 N CA -0.111 52.763 53.050 -0.294 0.000 0.919 334 N CB 0.991 39.367 38.487 -0.186 0.000 1.509 334 N HN 0.852 nan 8.380 nan 0.000 0.537 335 L N 1.254 122.339 121.223 -0.230 0.000 6.223 335 L HA -0.382 3.958 4.340 0.001 0.000 0.053 335 L C 1.162 177.915 176.870 -0.194 0.000 2.244 335 L CA 1.442 56.191 54.840 -0.152 0.000 1.647 335 L CB -0.934 41.070 42.059 -0.091 0.000 2.769 335 L HN 0.568 nan 8.230 nan 0.000 1.016 336 E N 0.122 120.262 120.200 -0.100 0.000 2.482 336 E HA -0.028 4.322 4.350 0.001 0.000 0.196 336 E C 0.412 176.983 176.600 -0.048 0.000 1.047 336 E CA 0.646 57.043 56.400 -0.006 0.000 0.869 336 E CB 0.015 29.727 29.700 0.020 0.000 0.836 336 E HN 0.380 nan 8.360 nan 0.000 0.520 337 E N 0.509 120.564 120.200 -0.241 0.000 2.167 337 E HA 0.123 4.473 4.350 0.001 0.000 0.284 337 E C -1.158 175.156 176.600 -0.478 0.000 1.016 337 E CA -0.411 55.866 56.400 -0.204 0.000 0.817 337 E CB 0.435 30.044 29.700 -0.152 0.000 1.080 337 E HN 0.025 nan 8.360 nan 0.000 0.397 338 Y N 3.086 123.289 120.300 -0.162 0.000 2.393 338 Y HA 0.461 5.011 4.550 0.001 0.000 0.341 338 Y C 0.075 175.888 175.900 -0.146 0.000 0.988 338 Y CA -0.948 56.940 58.100 -0.354 0.000 1.078 338 Y CB 1.871 40.052 38.460 -0.466 0.000 1.203 338 Y HN 0.378 nan 8.280 nan 0.000 0.453 339 R N 2.519 122.920 120.500 -0.166 0.000 2.621 339 R HA 0.424 4.764 4.340 0.001 0.000 0.292 339 R C -1.578 174.670 176.300 -0.088 0.000 0.969 339 R CA -0.842 55.276 56.100 0.031 0.000 0.887 339 R CB 2.291 32.589 30.300 -0.004 0.000 1.180 339 R HN 0.669 nan 8.270 nan 0.000 0.450 340 W N 1.306 122.554 121.300 -0.087 0.000 2.736 340 W HA 0.468 5.128 4.660 0.000 0.000 0.335 340 W C -0.178 176.232 176.519 -0.182 0.000 1.059 340 W CA -0.676 56.514 57.345 -0.258 0.000 1.226 340 W CB 2.416 31.377 29.460 -0.831 0.000 1.416 340 W HN 0.682 nan 8.180 nan 0.000 0.505 341 S N 1.250 117.085 115.700 0.226 0.000 2.586 341 S HA 0.718 5.188 4.470 0.001 0.000 0.277 341 S C -0.375 174.400 174.600 0.293 0.000 1.131 341 S CA -0.101 58.298 58.200 0.332 0.000 0.848 341 S CB 1.242 64.566 63.200 0.205 0.000 1.091 341 S HN 1.428 nan 8.310 nan 0.000 0.453 342 G N 0.774 109.742 108.800 0.280 0.000 2.796 342 G HA2 0.348 4.309 3.960 0.001 0.000 0.226 342 G HA3 0.348 4.309 3.960 0.001 0.000 0.226 342 G C 1.108 176.107 174.900 0.165 0.000 1.381 342 G CA 0.666 45.870 45.100 0.173 0.000 0.867 342 G HN 2.719 nan 8.290 nan 0.000 0.552 343 G N -0.731 108.128 108.800 0.099 0.000 2.614 343 G HA2 0.093 4.053 3.960 0.001 0.000 0.303 343 G HA3 0.093 4.053 3.960 0.001 0.000 0.303 343 G C 1.821 176.768 174.900 0.080 0.000 1.270 343 G CA 2.646 47.791 45.100 0.074 0.000 0.988 343 G HN 2.561 nan 8.290 nan 0.000 0.551 344 A N -1.731 121.135 122.820 0.076 0.000 1.933 344 A HA 0.119 4.440 4.320 0.001 0.000 0.218 344 A C 2.203 179.847 177.584 0.099 0.000 1.175 344 A CA 2.514 54.590 52.037 0.064 0.000 0.628 344 A CB -0.548 18.473 19.000 0.036 0.000 0.814 344 A HN 1.414 nan 8.150 nan 0.000 0.444 345 Y N 0.737 121.064 120.300 0.045 0.000 2.145 345 Y HA -0.103 4.447 4.550 0.001 0.000 0.286 345 Y C 2.597 178.596 175.900 0.165 0.000 1.145 345 Y CA 1.243 59.376 58.100 0.055 0.000 1.148 345 Y CB -0.585 37.955 38.460 0.133 0.000 0.981 345 Y HN 0.295 nan 8.280 nan 0.000 0.507 346 A N 0.597 123.441 122.820 0.039 0.000 1.933 346 A HA -0.176 4.144 4.320 0.001 0.000 0.218 346 A C 2.311 179.866 177.584 -0.047 0.000 1.175 346 A CA 1.706 53.726 52.037 -0.028 0.000 0.628 346 A CB -0.589 18.456 19.000 0.074 0.000 0.814 346 A HN 0.545 nan 8.150 nan 0.000 0.444 347 R N -2.337 118.158 120.500 -0.009 0.000 2.115 347 R HA -0.174 4.166 4.340 0.001 0.000 0.230 347 R C 1.989 178.283 176.300 -0.010 0.000 1.111 347 R CA 1.429 57.520 56.100 -0.015 0.000 0.976 347 R CB -0.343 29.954 30.300 -0.004 0.000 0.870 347 R HN 0.797 nan 8.270 nan 0.000 0.445 348 W N 0.950 122.129 121.300 -0.202 0.000 2.358 348 W HA -0.183 4.477 4.660 0.001 0.000 0.303 348 W C 1.736 178.153 176.519 -0.168 0.000 1.208 348 W CA 1.117 58.334 57.345 -0.214 0.000 1.274 348 W CB -0.213 29.062 29.460 -0.307 0.000 1.138 348 W HN -0.251 nan 8.180 nan 0.000 0.515 349 V N 0.881 120.629 119.914 -0.277 0.000 2.287 349 V HA -0.359 3.762 4.120 0.001 0.000 0.248 349 V C 2.306 178.278 176.094 -0.202 0.000 1.053 349 V CA 2.462 64.558 62.300 -0.340 0.000 1.027 349 V CB -1.146 30.565 31.823 -0.186 0.000 0.646 349 V HN 0.333 nan 8.190 nan 0.000 0.447 350 E N -0.194 119.972 120.200 -0.056 0.000 2.058 350 E HA -0.343 4.008 4.350 0.001 0.000 0.194 350 E C 2.172 178.767 176.600 -0.008 0.000 0.997 350 E CA 2.058 58.492 56.400 0.056 0.000 0.801 350 E CB -0.255 29.393 29.700 -0.087 0.000 0.746 350 E HN 0.832 nan 8.360 nan 0.000 0.450 351 H N 0.223 119.160 119.070 -0.222 0.000 2.290 351 H HA -0.141 4.415 4.556 0.001 0.000 0.298 351 H C 2.152 177.288 175.328 -0.318 0.000 1.087 351 H CA 2.944 58.845 56.048 -0.246 0.000 1.291 351 H CB -0.266 29.343 29.762 -0.256 0.000 1.369 351 H HN 0.164 nan 8.280 nan 0.000 0.492 352 V N -1.889 117.737 119.914 -0.480 0.000 2.667 352 V HA -0.166 3.955 4.120 0.001 0.000 0.252 352 V C 2.422 178.300 176.094 -0.360 0.000 1.065 352 V CA 1.494 63.458 62.300 -0.560 0.000 1.083 352 V CB -1.210 30.068 31.823 -0.909 0.000 0.692 352 V HN 0.607 nan 8.190 nan 0.000 0.468 353 C N 0.304 119.459 119.300 -0.243 0.000 2.437 353 C HA 0.058 4.518 4.460 0.001 0.000 0.283 353 C C 2.557 177.582 174.990 0.060 0.000 1.424 353 C CA 1.194 60.159 59.018 -0.089 0.000 1.782 353 C CB -1.327 26.382 27.740 -0.052 0.000 1.833 353 C HN 0.600 nan 8.230 nan 0.000 0.532 354 K N -0.258 120.126 120.400 -0.028 0.000 2.374 354 K HA 0.247 4.567 4.320 0.001 0.000 0.196 354 K C 1.379 177.893 176.600 -0.144 0.000 1.023 354 K CA 0.731 56.979 56.287 -0.065 0.000 1.103 354 K CB 0.354 32.818 32.500 -0.061 0.000 0.848 354 K HN 0.463 nan 8.250 nan 0.000 0.528 355 G N 0.850 109.545 108.800 -0.176 0.000 2.205 355 G HA2 -0.176 3.784 3.960 0.001 0.000 0.180 355 G HA3 -0.176 3.784 3.960 0.001 0.000 0.180 355 G C 0.329 175.065 174.900 -0.273 0.000 1.004 355 G CA -0.474 44.519 45.100 -0.178 0.000 0.670 355 G HN 0.402 nan 8.290 nan 0.000 0.496 356 G N 0.153 108.636 108.800 -0.527 0.000 2.483 356 G HA2 0.534 4.494 3.960 0.001 0.000 0.248 356 G HA3 0.534 4.494 3.960 0.001 0.000 0.248 356 G C 0.916 175.601 174.900 -0.358 0.000 1.248 356 G CA 1.005 45.598 45.100 -0.844 0.000 0.838 356 G HN 1.140 nan 8.290 nan 0.000 0.566 357 T N -0.695 113.849 114.554 -0.017 0.000 3.174 357 T HA 0.377 4.728 4.350 0.001 0.000 0.269 357 T C 1.078 175.952 174.700 0.290 0.000 1.017 357 T CA 0.175 62.347 62.100 0.120 0.000 0.899 357 T CB 0.334 69.265 68.868 0.106 0.000 1.077 357 T HN 0.733 nan 8.240 nan 0.000 0.552 358 G N 1.249 110.373 108.800 0.539 0.000 2.353 358 G HA2 0.247 4.207 3.960 0.001 0.000 0.239 358 G HA3 0.247 4.207 3.960 0.001 0.000 0.239 358 G C -0.253 174.907 174.900 0.434 0.000 1.295 358 G CA -0.477 44.842 45.100 0.365 0.000 0.884 358 G HN 0.608 nan 8.290 nan 0.000 0.537 359 Q N 0.886 120.852 119.800 0.277 0.000 2.297 359 Q HA 0.193 4.533 4.340 0.001 0.000 0.267 359 Q C -1.097 175.022 176.000 0.200 0.000 1.006 359 Q CA -0.419 55.529 55.803 0.241 0.000 0.896 359 Q CB 0.368 29.191 28.738 0.142 0.000 1.186 359 Q HN 0.373 nan 8.270 nan 0.000 0.392 360 F N 5.022 124.899 119.950 -0.121 0.000 2.311 360 F HA 0.343 4.871 4.527 0.001 0.000 0.371 360 F C -0.878 174.770 175.800 -0.253 0.000 1.083 360 F CA -1.334 56.376 58.000 -0.482 0.000 1.113 360 F CB 0.805 38.966 39.000 -1.398 0.000 1.349 360 F HN 0.579 nan 8.300 nan 0.000 0.470 361 E N 4.378 124.568 120.200 -0.017 0.000 2.216 361 E HA 0.576 4.927 4.350 0.001 0.000 0.279 361 E C -1.556 174.964 176.600 -0.134 0.000 0.997 361 E CA -0.603 55.758 56.400 -0.066 0.000 0.817 361 E CB 1.536 31.334 29.700 0.164 0.000 1.096 361 E HN 0.430 nan 8.360 nan 0.000 0.393 362 V N 6.419 126.213 119.914 -0.200 0.000 2.409 362 V HA 0.321 4.441 4.120 0.001 0.000 0.290 362 V C -0.378 175.766 176.094 0.083 0.000 1.017 362 V CA -0.632 61.616 62.300 -0.088 0.000 0.841 362 V CB 1.047 32.699 31.823 -0.286 0.000 1.003 362 V HN 0.647 nan 8.190 nan 0.000 0.426 363 L N 6.188 127.519 121.223 0.180 0.000 2.329 363 L HA 0.751 5.092 4.340 0.001 0.000 0.279 363 L C -0.670 176.335 176.870 0.225 0.000 1.014 363 L CA -0.672 54.267 54.840 0.165 0.000 0.814 363 L CB 1.746 43.894 42.059 0.149 0.000 1.257 363 L HN 0.786 nan 8.230 nan 0.000 0.424 364 Y N 1.591 121.922 120.300 0.051 0.000 2.655 364 Y HA 0.927 5.478 4.550 0.001 0.000 0.336 364 Y C -1.111 174.852 175.900 0.104 0.000 1.154 364 Y CA -1.165 56.974 58.100 0.066 0.000 1.055 364 Y CB 1.805 40.297 38.460 0.053 0.000 1.295 364 Y HN 0.589 nan 8.280 nan 0.000 0.465 365 A N 1.526 124.454 122.820 0.179 0.000 2.604 365 A HA 0.478 4.798 4.320 0.001 0.000 0.295 365 A C -1.195 176.319 177.584 -0.116 0.000 1.067 365 A CA -0.975 51.061 52.037 -0.001 0.000 0.683 365 A CB 1.820 20.789 19.000 -0.052 0.000 1.281 365 A HN 0.942 nan 8.150 nan 0.000 0.407 366 Q N 0.000 119.490 119.800 -0.517 0.000 2.315 366 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 366 Q CA 0.000 55.181 55.803 -1.036 0.000 1.022 366 Q CB 0.000 28.336 28.738 -0.670 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481