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 3oqb_1_C DATA FIRST_RESID 3 DATA SEQUENCE TTQRLGLIXN GVTGRXGLNQ HLIRSIVAIR DQGGVRLKNG DRIXPDPILV DATA SEQUENCE GRSAEKVEAL AKRFNIARWT TDLDAALADK NDTXFFDAAT TQARPGLLTQ DATA SEQUENCE AINAGKHVYC EKPIATNFEE ALEVVKLANS KGVKHGTVQD KLFLPGLKKI DATA SEQUENCE AFLRDSGFFG RILSVRGEFG YWVFEGGWQE AQRPSWNYRD EDGGGIILDX DATA SEQUENCE VCHWRYVLDN LFGNVQSVVC IGNTDIPERF DEQGKKYKAT ADDSAYATFQ DATA SEQUENCE LEGGVIAHIN XSWVTRVYRD DLVTFQVDGT HGSAVAGLSD CXIQARQATP DATA SEQUENCE RPVWNPXXXR LHDFYGDWQK LPDNVSYDNG FKEQWEXFIR HVYEDAPYKF DATA SEQUENCE TLLEGAKGVQ LAECALKSWK ERRWIDVAPI 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.676 174.700 -0.039 0.000 1.109 3 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 3 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 4 T N 2.792 117.322 114.554 -0.039 0.000 3.068 4 T HA 0.418 4.768 4.350 0.001 0.000 0.364 4 T C -0.788 173.879 174.700 -0.055 0.000 1.161 4 T CA -0.351 61.717 62.100 -0.053 0.000 1.155 4 T CB 1.797 70.638 68.868 -0.044 0.000 1.060 4 T HN 0.200 nan 8.240 nan 0.000 0.513 5 Q N 2.513 122.265 119.800 -0.080 0.000 2.327 5 Q HA 0.328 4.669 4.340 0.001 0.000 0.254 5 Q C 0.157 176.100 176.000 -0.094 0.000 0.952 5 Q CA -0.448 55.309 55.803 -0.077 0.000 0.884 5 Q CB 0.962 29.636 28.738 -0.106 0.000 1.224 5 Q HN 0.466 nan 8.270 nan 0.000 0.422 6 R N 3.385 123.865 120.500 -0.035 0.000 2.428 6 R HA 0.386 4.726 4.340 0.001 0.000 0.294 6 R C -1.458 174.862 176.300 0.034 0.000 1.000 6 R CA -0.588 55.504 56.100 -0.013 0.000 0.960 6 R CB 0.683 30.991 30.300 0.013 0.000 1.076 6 R HN 0.555 nan 8.270 nan 0.000 0.475 7 L N 3.873 125.117 121.223 0.036 0.000 2.366 7 L HA 0.465 4.805 4.340 0.001 0.000 0.266 7 L C -0.449 176.489 176.870 0.114 0.000 1.010 7 L CA -0.110 54.807 54.840 0.128 0.000 0.879 7 L CB 1.528 43.658 42.059 0.118 0.000 1.228 7 L HN 0.752 nan 8.230 nan 0.000 0.439 8 G N 4.295 113.170 108.800 0.124 0.000 2.335 8 G HA2 0.394 4.354 3.960 0.001 0.000 0.268 8 G HA3 0.394 4.354 3.960 0.001 0.000 0.268 8 G C -0.955 174.034 174.900 0.149 0.000 1.228 8 G CA -0.182 44.985 45.100 0.111 0.000 0.968 8 G HN 0.595 nan 8.290 nan 0.000 0.459 9 L N 4.817 126.124 121.223 0.139 0.000 2.377 9 L HA 0.515 4.855 4.340 0.001 0.000 0.270 9 L C 0.132 177.115 176.870 0.189 0.000 0.991 9 L CA -0.754 54.196 54.840 0.183 0.000 0.851 9 L CB 0.910 43.061 42.059 0.153 0.000 1.218 9 L HN 0.479 nan 8.230 nan 0.000 0.420 13 G N 0.925 109.629 108.800 -0.159 0.000 3.496 13 G HA2 0.312 4.272 3.960 0.001 0.000 0.273 13 G HA3 0.312 4.272 3.960 0.001 0.000 0.273 13 G C 0.334 175.236 174.900 0.003 0.000 1.279 13 G CA 0.464 45.508 45.100 -0.093 0.000 1.041 13 G HN 0.367 nan 8.290 nan 0.000 0.539 14 V N -0.822 119.124 119.914 0.054 0.000 2.836 14 V HA 0.380 4.501 4.120 0.001 0.000 0.368 14 V C 1.044 177.169 176.094 0.052 0.000 1.452 14 V CA 0.509 62.860 62.300 0.085 0.000 1.586 14 V CB -0.869 31.019 31.823 0.110 0.000 1.436 14 V HN 0.260 nan 8.190 nan 0.000 0.541 15 T N -3.873 110.707 114.554 0.043 0.000 3.028 15 T HA 0.270 4.620 4.350 0.001 0.000 0.262 15 T C 1.173 175.898 174.700 0.042 0.000 0.916 15 T CA 0.708 62.831 62.100 0.039 0.000 0.873 15 T CB 0.247 69.132 68.868 0.029 0.000 1.232 15 T HN 0.700 nan 8.240 nan 0.000 0.529 16 G N 2.647 111.473 108.800 0.044 0.000 3.064 16 G HA2 0.541 4.501 3.960 0.001 0.000 0.286 16 G HA3 0.541 4.501 3.960 0.001 0.000 0.286 16 G C -0.109 174.831 174.900 0.068 0.000 0.834 16 G CA -0.616 44.517 45.100 0.054 0.000 1.856 16 G HN 0.681 nan 8.290 nan 0.000 0.559 20 L N 0.567 121.822 121.223 0.053 0.000 2.049 20 L HA 0.261 4.601 4.340 0.001 0.000 0.203 20 L C 2.270 179.091 176.870 -0.082 0.000 1.074 20 L CA 1.473 56.307 54.840 -0.010 0.000 0.749 20 L CB -0.294 41.773 42.059 0.012 0.000 0.907 20 L HN 0.188 nan 8.230 nan 0.000 0.439 21 N N -0.854 117.804 118.700 -0.070 0.000 2.080 21 N HA -0.175 4.566 4.740 0.001 0.000 0.189 21 N C 1.729 177.126 175.510 -0.188 0.000 1.036 21 N CA 1.408 54.395 53.050 -0.104 0.000 0.846 21 N CB 0.087 38.534 38.487 -0.066 0.000 1.015 21 N HN 0.452 nan 8.380 nan 0.000 0.423 22 Q N -0.177 119.437 119.800 -0.310 0.000 2.134 22 Q HA 0.011 4.351 4.340 0.001 0.000 0.195 22 Q C 1.785 177.489 176.000 -0.493 0.000 0.958 22 Q CA 1.042 56.490 55.803 -0.590 0.000 0.840 22 Q CB -0.380 27.512 28.738 -1.411 0.000 0.918 22 Q HN 0.558 nan 8.270 nan 0.000 0.467 23 H N -0.262 118.694 119.070 -0.189 0.000 2.370 23 H HA 0.041 4.598 4.556 0.001 0.000 0.304 23 H C 2.069 177.235 175.328 -0.269 0.000 1.055 23 H CA 0.700 56.696 56.048 -0.088 0.000 1.373 23 H CB 0.116 29.938 29.762 0.101 0.000 1.423 23 H HN 0.070 nan 8.280 nan 0.000 0.533 24 L N 0.803 121.957 121.223 -0.114 0.000 2.068 24 L HA 0.009 4.349 4.340 0.001 0.000 0.204 24 L C 2.171 178.821 176.870 -0.366 0.000 1.076 24 L CA 1.208 55.894 54.840 -0.255 0.000 0.753 24 L CB -0.471 41.447 42.059 -0.234 0.000 0.910 24 L HN 0.074 nan 8.230 nan 0.000 0.439 25 I N -1.058 119.297 120.570 -0.359 0.000 2.270 25 I HA -0.106 4.064 4.170 0.001 0.000 0.239 25 I C 2.268 178.263 176.117 -0.202 0.000 1.080 25 I CA 0.495 61.589 61.300 -0.344 0.000 1.383 25 I CB -0.342 37.490 38.000 -0.280 0.000 1.097 25 I HN 0.116 nan 8.210 nan 0.000 0.420 26 R N 0.396 120.795 120.500 -0.168 0.000 2.235 26 R HA 0.070 4.410 4.340 0.001 0.000 0.213 26 R C 1.833 178.071 176.300 -0.102 0.000 1.059 26 R CA 0.743 56.783 56.100 -0.099 0.000 0.997 26 R CB -0.185 30.076 30.300 -0.065 0.000 0.884 26 R HN 0.332 nan 8.270 nan 0.000 0.462 27 S N 0.148 115.732 115.700 -0.194 0.000 3.036 27 S HA 0.153 4.623 4.470 0.001 0.000 0.194 27 S C 1.808 176.161 174.600 -0.412 0.000 0.797 27 S CA -0.322 57.713 58.200 -0.275 0.000 0.822 27 S CB 0.088 63.064 63.200 -0.373 0.000 0.810 27 S HN -0.054 nan 8.310 nan 0.000 0.629 28 I N 2.385 122.600 120.570 -0.592 0.000 2.179 28 I HA -0.079 4.091 4.170 0.001 0.000 0.242 28 I C 2.325 178.261 176.117 -0.301 0.000 1.088 28 I CA 1.208 62.183 61.300 -0.541 0.000 1.357 28 I CB -1.409 36.230 38.000 -0.601 0.000 1.051 28 I HN 0.102 nan 8.210 nan 0.000 0.409 29 V N 1.254 121.015 119.914 -0.254 0.000 2.358 29 V HA -0.215 3.906 4.120 0.001 0.000 0.246 29 V C 2.786 178.819 176.094 -0.103 0.000 1.047 29 V CA 1.672 63.880 62.300 -0.153 0.000 1.035 29 V CB -0.992 30.740 31.823 -0.151 0.000 0.658 29 V HN 0.452 nan 8.190 nan 0.000 0.452 30 A N -0.245 122.507 122.820 -0.113 0.000 1.933 30 A HA -0.159 4.161 4.320 0.001 0.000 0.218 30 A C 2.159 179.702 177.584 -0.068 0.000 1.175 30 A CA 1.768 53.764 52.037 -0.068 0.000 0.628 30 A CB -0.490 18.475 19.000 -0.058 0.000 0.814 30 A HN 0.518 nan 8.150 nan 0.000 0.444 31 I N -1.102 119.406 120.570 -0.104 0.000 2.202 31 I HA -0.246 3.924 4.170 0.001 0.000 0.242 31 I C 2.806 178.875 176.117 -0.080 0.000 1.091 31 I CA 1.158 62.402 61.300 -0.093 0.000 1.368 31 I CB -0.348 37.575 38.000 -0.128 0.000 1.058 31 I HN 0.285 nan 8.210 nan 0.000 0.410 32 R N 0.791 121.237 120.500 -0.091 0.000 2.082 32 R HA -0.201 4.140 4.340 0.001 0.000 0.234 32 R C 1.964 178.240 176.300 -0.040 0.000 1.136 32 R CA 2.048 58.110 56.100 -0.064 0.000 0.935 32 R CB -0.587 29.677 30.300 -0.060 0.000 0.842 32 R HN 0.362 nan 8.270 nan 0.000 0.430 33 D N 0.316 120.698 120.400 -0.030 0.000 2.182 33 D HA -0.202 4.439 4.640 0.001 0.000 0.201 33 D C 1.810 178.099 176.300 -0.017 0.000 0.986 33 D CA 1.051 55.042 54.000 -0.014 0.000 0.847 33 D CB -0.258 40.540 40.800 -0.003 0.000 0.942 33 D HN 0.337 nan 8.370 nan 0.000 0.467 34 Q N -0.117 119.667 119.800 -0.025 0.000 2.291 34 Q HA -0.057 4.283 4.340 0.001 0.000 0.205 34 Q C 0.719 176.704 176.000 -0.026 0.000 0.970 34 Q CA 1.258 57.047 55.803 -0.023 0.000 0.876 34 Q CB 0.122 28.844 28.738 -0.027 0.000 0.935 34 Q HN 0.327 nan 8.270 nan 0.000 0.455 35 G N -0.773 108.007 108.800 -0.032 0.000 2.167 35 G HA2 -0.049 3.911 3.960 0.001 0.000 0.194 35 G HA3 -0.049 3.911 3.960 0.001 0.000 0.194 35 G C 0.340 175.212 174.900 -0.047 0.000 1.027 35 G CA 0.014 45.093 45.100 -0.035 0.000 0.717 35 G HN 0.956 nan 8.290 nan 0.000 0.501 36 G N -2.425 106.340 108.800 -0.057 0.000 2.757 36 G HA2 0.209 4.169 3.960 0.001 0.000 0.638 36 G HA3 0.209 4.169 3.960 0.001 0.000 0.638 36 G C -0.188 174.671 174.900 -0.069 0.000 1.344 36 G CA -0.039 45.017 45.100 -0.074 0.000 0.855 36 G HN 1.533 nan 8.290 nan 0.000 0.537 37 V N 2.335 122.196 119.914 -0.087 0.000 2.383 37 V HA 0.499 4.619 4.120 0.001 0.000 0.275 37 V C 1.151 177.203 176.094 -0.071 0.000 1.036 37 V CA -0.485 61.774 62.300 -0.068 0.000 0.889 37 V CB 1.451 33.234 31.823 -0.067 0.000 0.985 37 V HN 0.954 nan 8.190 nan 0.000 0.459 38 R N 6.247 126.721 120.500 -0.042 0.000 2.484 38 R HA 0.230 4.571 4.340 0.001 0.000 0.293 38 R C -1.137 175.144 176.300 -0.032 0.000 1.023 38 R CA 0.301 56.380 56.100 -0.035 0.000 1.037 38 R CB -0.003 30.286 30.300 -0.018 0.000 0.951 38 R HN 0.679 nan 8.270 nan 0.000 0.418 39 L N 3.871 125.072 121.223 -0.037 0.000 2.331 39 L HA 0.330 4.671 4.340 0.001 0.000 0.268 39 L C 1.637 178.500 176.870 -0.012 0.000 1.015 39 L CA -0.757 54.068 54.840 -0.024 0.000 0.807 39 L CB 1.092 43.131 42.059 -0.033 0.000 1.293 39 L HN 0.636 nan 8.230 nan 0.000 0.451 40 K N 0.658 121.056 120.400 -0.003 0.000 2.283 40 K HA -0.106 4.215 4.320 0.001 0.000 0.202 40 K C 1.204 177.802 176.600 -0.003 0.000 1.048 40 K CA 0.903 57.190 56.287 -0.000 0.000 0.948 40 K CB 0.076 32.579 32.500 0.005 0.000 0.742 40 K HN 0.597 nan 8.250 nan 0.000 0.458 41 N N -0.684 118.013 118.700 -0.006 0.000 2.314 41 N HA 0.018 4.759 4.740 0.001 0.000 0.200 41 N C 0.821 176.324 175.510 -0.012 0.000 1.135 41 N CA 0.814 53.860 53.050 -0.007 0.000 0.835 41 N CB 0.485 38.970 38.487 -0.004 0.000 0.989 41 N HN 0.185 nan 8.380 nan 0.000 0.478 42 G N -0.294 108.497 108.800 -0.015 0.000 2.189 42 G HA2 -0.289 3.672 3.960 0.001 0.000 0.267 42 G HA3 -0.289 3.672 3.960 0.001 0.000 0.267 42 G C -0.426 174.458 174.900 -0.027 0.000 0.975 42 G CA 0.475 45.564 45.100 -0.019 0.000 0.644 42 G HN 0.489 nan 8.290 nan 0.000 0.537 43 D N 0.216 120.595 120.400 -0.034 0.000 2.362 43 D HA 0.500 5.141 4.640 0.001 0.000 0.242 43 D C 0.908 177.165 176.300 -0.071 0.000 1.132 43 D CA 0.141 54.111 54.000 -0.051 0.000 0.907 43 D CB 0.489 41.256 40.800 -0.056 0.000 1.195 43 D HN 0.316 nan 8.370 nan 0.000 0.429 44 R N 1.688 122.137 120.500 -0.085 0.000 2.439 44 R HA 0.357 4.697 4.340 0.001 0.000 0.310 44 R C -0.074 176.137 176.300 -0.149 0.000 0.955 44 R CA -0.794 55.245 56.100 -0.100 0.000 0.853 44 R CB 1.453 31.711 30.300 -0.070 0.000 1.171 44 R HN 0.319 nan 8.270 nan 0.000 0.449 48 D N 3.459 123.859 120.400 0.001 0.000 2.493 48 D HA 0.294 4.935 4.640 0.001 0.000 0.235 48 D C -2.318 174.002 176.300 0.033 0.000 1.117 48 D CA -1.933 52.075 54.000 0.014 0.000 0.930 48 D CB 1.040 41.853 40.800 0.022 0.000 1.010 48 D HN 0.034 nan 8.370 nan 0.000 0.514 49 P HA 0.279 nan 4.420 nan 0.000 0.278 49 P C -0.337 177.007 177.300 0.073 0.000 1.238 49 P CA -0.662 62.464 63.100 0.043 0.000 0.794 49 P CB 1.581 33.282 31.700 0.001 0.000 0.955 50 I N 2.882 123.513 120.570 0.101 0.000 2.389 50 I HA 0.316 4.487 4.170 0.001 0.000 0.288 50 I C -0.907 175.303 176.117 0.154 0.000 0.999 50 I CA -1.305 60.067 61.300 0.120 0.000 1.129 50 I CB 0.807 38.866 38.000 0.098 0.000 1.288 50 I HN 0.130 nan 8.210 nan 0.000 0.444 51 L N 7.644 128.982 121.223 0.192 0.000 2.312 51 L HA 0.540 4.881 4.340 0.001 0.000 0.281 51 L C -0.740 176.260 176.870 0.218 0.000 1.070 51 L CA -0.859 54.095 54.840 0.190 0.000 0.805 51 L CB 1.520 43.688 42.059 0.180 0.000 1.174 51 L HN 0.350 nan 8.230 nan 0.000 0.434 52 V N 1.960 121.977 119.914 0.171 0.000 2.444 52 V HA 0.723 4.844 4.120 0.001 0.000 0.294 52 V C 0.353 176.519 176.094 0.120 0.000 1.022 52 V CA -0.456 61.944 62.300 0.167 0.000 0.850 52 V CB 1.464 33.388 31.823 0.168 0.000 0.992 52 V HN 0.908 nan 8.190 nan 0.000 0.426 53 G N 3.107 111.977 108.800 0.116 0.000 2.569 53 G HA2 0.602 4.562 3.960 0.001 0.000 0.300 53 G HA3 0.602 4.562 3.960 0.001 0.000 0.300 53 G C 0.037 174.969 174.900 0.054 0.000 1.269 53 G CA -0.671 44.468 45.100 0.065 0.000 0.959 53 G HN 0.536 nan 8.290 nan 0.000 0.478 54 R N 0.023 120.539 120.500 0.028 0.000 2.057 54 R HA 0.087 4.427 4.340 0.001 0.000 0.229 54 R C 2.119 178.429 176.300 0.016 0.000 1.136 54 R CA 1.315 57.426 56.100 0.019 0.000 0.952 54 R CB -0.446 29.857 30.300 0.004 0.000 0.848 54 R HN 0.622 nan 8.270 nan 0.000 0.430 55 S N -1.214 114.487 115.700 0.002 0.000 2.681 55 S HA 0.569 5.039 4.470 0.001 0.000 0.270 55 S C 0.767 175.349 174.600 -0.031 0.000 1.209 55 S CA -0.320 57.872 58.200 -0.013 0.000 0.988 55 S CB 1.877 65.062 63.200 -0.025 0.000 1.006 55 S HN 0.218 nan 8.310 nan 0.000 0.558 56 A N -0.076 122.708 122.820 -0.060 0.000 2.074 56 A HA 0.364 4.684 4.320 0.001 0.000 0.200 56 A C 1.714 179.122 177.584 -0.293 0.000 1.335 56 A CA 0.104 52.059 52.037 -0.137 0.000 0.922 56 A CB -0.686 18.306 19.000 -0.014 0.000 0.972 56 A HN 0.731 nan 8.150 nan 0.000 0.475 57 E N 0.947 121.039 120.200 -0.180 0.000 2.204 57 E HA -0.092 4.258 4.350 0.001 0.000 0.194 57 E C 1.774 178.249 176.600 -0.207 0.000 0.989 57 E CA 1.277 57.569 56.400 -0.180 0.000 0.824 57 E CB -0.002 29.640 29.700 -0.096 0.000 0.756 57 E HN 0.582 nan 8.360 nan 0.000 0.477 58 K N -0.312 119.982 120.400 -0.177 0.000 2.202 58 K HA 0.071 4.392 4.320 0.001 0.000 0.201 58 K C 2.175 178.673 176.600 -0.170 0.000 1.051 58 K CA 0.625 56.831 56.287 -0.135 0.000 0.977 58 K CB -0.215 32.241 32.500 -0.073 0.000 0.792 58 K HN 0.046 nan 8.250 nan 0.000 0.469 59 V N 2.643 122.420 119.914 -0.230 0.000 2.343 59 V HA -0.234 3.886 4.120 0.001 0.000 0.247 59 V C 2.298 178.149 176.094 -0.406 0.000 1.051 59 V CA 1.986 64.155 62.300 -0.219 0.000 1.036 59 V CB -0.087 31.666 31.823 -0.117 0.000 0.654 59 V HN 0.360 nan 8.190 nan 0.000 0.451 60 E N -0.070 119.597 120.200 -0.888 0.000 2.077 60 E HA -0.192 4.159 4.350 0.001 0.000 0.193 60 E C 2.150 178.525 176.600 -0.374 0.000 0.989 60 E CA 1.443 57.192 56.400 -1.085 0.000 0.800 60 E CB -0.326 28.591 29.700 -1.306 0.000 0.746 60 E HN 0.666 nan 8.360 nan 0.000 0.452 61 A N 1.013 123.665 122.820 -0.279 0.000 1.933 61 A HA -0.160 4.160 4.320 0.001 0.000 0.218 61 A C 2.117 179.659 177.584 -0.071 0.000 1.175 61 A CA 1.170 53.126 52.037 -0.137 0.000 0.628 61 A CB -0.523 18.407 19.000 -0.116 0.000 0.814 61 A HN 0.365 nan 8.150 nan 0.000 0.444 62 L N -0.598 120.596 121.223 -0.048 0.000 2.044 62 L HA 0.049 4.390 4.340 0.001 0.000 0.205 62 L C 2.779 179.735 176.870 0.143 0.000 1.075 62 L CA 1.812 56.697 54.840 0.075 0.000 0.747 62 L CB -0.642 41.471 42.059 0.089 0.000 0.903 62 L HN 0.333 nan 8.230 nan 0.000 0.435 63 A N -0.643 122.229 122.820 0.087 0.000 1.948 63 A HA -0.304 4.016 4.320 0.001 0.000 0.220 63 A C 2.451 180.120 177.584 0.141 0.000 1.177 63 A CA 2.209 54.342 52.037 0.161 0.000 0.636 63 A CB -0.629 18.522 19.000 0.252 0.000 0.815 63 A HN 0.475 nan 8.150 nan 0.000 0.449 64 K N -0.640 119.803 120.400 0.072 0.000 2.062 64 K HA -0.129 4.192 4.320 0.001 0.000 0.205 64 K C 2.335 178.924 176.600 -0.018 0.000 1.051 64 K CA 1.211 57.519 56.287 0.036 0.000 0.941 64 K CB -0.199 32.303 32.500 0.004 0.000 0.719 64 K HN 0.440 nan 8.250 nan 0.000 0.440 65 R N -0.428 120.030 120.500 -0.070 0.000 2.103 65 R HA -0.134 4.207 4.340 0.001 0.000 0.242 65 R C 0.842 176.868 176.300 -0.456 0.000 1.142 65 R CA 1.793 57.719 56.100 -0.289 0.000 0.960 65 R CB -0.102 29.973 30.300 -0.377 0.000 0.858 65 R HN 0.148 nan 8.270 nan 0.000 0.439 66 F N 0.078 120.029 119.950 0.002 0.000 2.708 66 F HA 0.266 4.793 4.527 0.001 0.000 0.300 66 F C 0.043 175.845 175.800 0.004 0.000 1.118 66 F CA -0.517 57.482 58.000 -0.001 0.000 1.307 66 F CB -0.109 38.887 39.000 -0.007 0.000 0.986 66 F HN 0.062 nan 8.300 nan 0.000 0.522 67 N N 0.855 119.621 118.700 0.110 0.000 2.688 67 N HA -0.236 4.504 4.740 0.001 0.000 0.258 67 N C 0.515 176.086 175.510 0.103 0.000 1.016 67 N CA 0.214 53.315 53.050 0.084 0.000 0.747 67 N CB -0.930 37.589 38.487 0.054 0.000 0.895 67 N HN 0.330 nan 8.380 nan 0.000 0.543 68 I N 0.221 120.868 120.570 0.129 0.000 2.810 68 I HA 0.302 4.473 4.170 0.001 0.000 0.262 68 I C 1.790 177.973 176.117 0.110 0.000 1.131 68 I CA 1.325 62.696 61.300 0.118 0.000 1.453 68 I CB -0.144 37.940 38.000 0.140 0.000 1.161 68 I HN 0.615 nan 8.210 nan 0.000 0.444 69 A N -0.295 122.609 122.820 0.141 0.000 1.252 69 A HA -0.238 4.083 4.320 0.001 0.000 0.267 69 A C 0.954 178.633 177.584 0.158 0.000 1.695 69 A CA 0.434 52.548 52.037 0.128 0.000 1.094 69 A CB -1.341 17.698 19.000 0.066 0.000 1.471 69 A HN 0.228 nan 8.150 nan 0.000 0.723 70 R N 0.491 121.052 120.500 0.102 0.000 2.441 70 R HA 0.512 4.852 4.340 0.001 0.000 0.284 70 R C -0.115 176.284 176.300 0.165 0.000 1.070 70 R CA 0.521 56.636 56.100 0.025 0.000 1.047 70 R CB 0.629 30.931 30.300 0.003 0.000 1.016 70 R HN 1.051 nan 8.270 nan 0.000 0.477 71 W N -0.026 121.300 121.300 0.043 0.000 3.153 71 W HA 0.448 5.109 4.660 0.001 0.000 0.316 71 W C -1.510 175.035 176.519 0.043 0.000 1.255 71 W CA -0.868 56.505 57.345 0.047 0.000 1.192 71 W CB 0.918 30.406 29.460 0.046 0.000 1.400 71 W HN 0.659 nan 8.180 nan 0.000 0.568 72 T N -2.025 112.780 114.554 0.420 0.000 2.665 72 T HA 0.511 4.862 4.350 0.001 0.000 0.303 72 T C 0.280 175.197 174.700 0.361 0.000 1.334 72 T CA 0.215 62.506 62.100 0.319 0.000 1.011 72 T CB 1.918 70.831 68.868 0.074 0.000 1.573 72 T HN 0.632 nan 8.240 nan 0.000 0.492 73 T N -3.137 111.564 114.554 0.245 0.000 2.964 73 T HA 0.273 4.623 4.350 0.001 0.000 0.250 73 T C 0.141 174.904 174.700 0.105 0.000 0.982 73 T CA 0.229 62.428 62.100 0.166 0.000 0.959 73 T CB -0.235 68.722 68.868 0.148 0.000 1.141 73 T HN 0.604 nan 8.240 nan 0.000 0.494 74 D N 1.877 122.330 120.400 0.087 0.000 2.344 74 D HA 0.207 4.848 4.640 0.001 0.000 0.253 74 D C 1.164 177.492 176.300 0.048 0.000 1.255 74 D CA -0.410 53.620 54.000 0.051 0.000 0.894 74 D CB 0.391 41.210 40.800 0.031 0.000 1.067 74 D HN -0.097 nan 8.370 nan 0.000 0.492 75 L N 3.693 124.941 121.223 0.040 0.000 2.017 75 L HA -0.126 4.215 4.340 0.001 0.000 0.208 75 L C 1.245 178.113 176.870 -0.002 0.000 1.073 75 L CA 1.803 56.663 54.840 0.034 0.000 0.745 75 L CB -0.961 41.108 42.059 0.016 0.000 0.894 75 L HN 0.517 nan 8.230 nan 0.000 0.432 76 D N -0.121 120.269 120.400 -0.018 0.000 2.104 76 D HA -0.173 4.467 4.640 0.001 0.000 0.194 76 D C 2.193 178.476 176.300 -0.028 0.000 0.994 76 D CA 1.478 55.456 54.000 -0.036 0.000 0.830 76 D CB -0.192 40.589 40.800 -0.032 0.000 0.959 76 D HN 0.358 nan 8.370 nan 0.000 0.452 77 A N 0.896 123.709 122.820 -0.013 0.000 1.902 77 A HA 0.028 4.348 4.320 0.001 0.000 0.217 77 A C 2.295 179.877 177.584 -0.005 0.000 1.181 77 A CA 2.041 54.072 52.037 -0.011 0.000 0.623 77 A CB -1.002 17.992 19.000 -0.010 0.000 0.818 77 A HN 0.240 nan 8.150 nan 0.000 0.443 78 A N -0.177 122.649 122.820 0.010 0.000 1.865 78 A HA -0.107 4.213 4.320 0.001 0.000 0.217 78 A C 2.053 179.652 177.584 0.025 0.000 1.191 78 A CA 1.796 53.853 52.037 0.033 0.000 0.623 78 A CB -0.724 18.319 19.000 0.072 0.000 0.826 78 A HN 0.455 nan 8.150 nan 0.000 0.444 79 L N -0.636 120.579 121.223 -0.012 0.000 2.191 79 L HA -0.092 4.248 4.340 0.001 0.000 0.212 79 L C 2.801 179.646 176.870 -0.042 0.000 1.103 79 L CA 1.286 56.092 54.840 -0.055 0.000 0.769 79 L CB -0.392 41.574 42.059 -0.155 0.000 0.908 79 L HN 0.395 nan 8.230 nan 0.000 0.438 80 A N -1.587 121.214 122.820 -0.032 0.000 2.072 80 A HA -0.089 4.231 4.320 0.001 0.000 0.216 80 A C 1.037 178.612 177.584 -0.014 0.000 1.156 80 A CA 0.248 52.268 52.037 -0.027 0.000 0.701 80 A CB -0.336 18.648 19.000 -0.027 0.000 0.816 80 A HN 0.288 nan 8.150 nan 0.000 0.458 81 D N 0.511 120.909 120.400 -0.003 0.000 2.342 81 D HA 0.110 4.751 4.640 0.001 0.000 0.260 81 D C 0.713 177.020 176.300 0.011 0.000 1.278 81 D CA 0.228 54.231 54.000 0.004 0.000 0.910 81 D CB 0.578 41.384 40.800 0.011 0.000 1.079 81 D HN 0.246 nan 8.370 nan 0.000 0.496 82 K N 2.848 123.251 120.400 0.005 0.000 2.439 82 K HA -0.117 4.203 4.320 0.001 0.000 0.197 82 K C 1.363 177.975 176.600 0.020 0.000 1.041 82 K CA 0.216 56.507 56.287 0.007 0.000 0.970 82 K CB 0.157 32.656 32.500 -0.002 0.000 0.773 82 K HN 0.321 nan 8.250 nan 0.000 0.479 83 N N 1.138 119.852 118.700 0.023 0.000 2.244 83 N HA -0.100 4.640 4.740 0.001 0.000 0.183 83 N C -0.098 175.444 175.510 0.052 0.000 1.016 83 N CA 0.945 54.014 53.050 0.031 0.000 0.866 83 N CB 0.232 38.732 38.487 0.022 0.000 0.980 83 N HN 0.020 nan 8.380 nan 0.000 0.430 84 D N -0.662 119.775 120.400 0.061 0.000 2.313 84 D HA 0.203 4.843 4.640 0.001 0.000 0.247 84 D C -0.171 176.190 176.300 0.101 0.000 1.094 84 D CA 0.322 54.378 54.000 0.093 0.000 0.925 84 D CB 1.599 42.462 40.800 0.105 0.000 1.188 84 D HN 0.017 nan 8.370 nan 0.000 0.430 88 F N 5.355 124.879 119.950 -0.709 0.000 2.540 88 F HA 0.663 5.191 4.527 0.001 0.000 0.317 88 F C -1.506 173.729 175.800 -0.941 0.000 1.104 88 F CA -0.532 57.131 58.000 -0.561 0.000 0.913 88 F CB 1.521 40.556 39.000 0.058 0.000 1.170 88 F HN 0.541 nan 8.300 nan 0.000 0.450 89 D N 3.660 123.101 120.400 -1.598 0.000 2.649 89 D HA 0.669 5.309 4.640 0.001 0.000 0.249 89 D C -0.505 175.014 176.300 -1.302 0.000 1.112 89 D CA -0.170 53.097 54.000 -1.222 0.000 0.850 89 D CB 2.079 42.555 40.800 -0.541 0.000 1.399 89 D HN 0.695 nan 8.370 nan 0.000 0.503 90 A N 2.564 124.844 122.820 -0.899 0.000 2.551 90 A HA 0.666 4.986 4.320 0.001 0.000 0.252 90 A C 0.915 178.354 177.584 -0.243 0.000 1.199 90 A CA 0.468 52.190 52.037 -0.526 0.000 0.972 90 A CB 0.109 18.916 19.000 -0.323 0.000 1.153 90 A HN 0.577 nan 8.150 nan 0.000 0.559 91 A N 0.548 123.228 122.820 -0.232 0.000 2.645 91 A HA 0.523 4.844 4.320 0.001 0.000 0.245 91 A C 1.107 178.595 177.584 -0.160 0.000 1.758 91 A CA 0.613 52.562 52.037 -0.145 0.000 0.850 91 A CB -1.111 17.822 19.000 -0.113 0.000 1.656 91 A HN 0.898 nan 8.150 nan 0.000 0.641 92 T N -2.425 112.022 114.554 -0.178 0.000 2.940 92 T HA 0.233 4.583 4.350 0.001 0.000 0.309 92 T C 1.026 175.600 174.700 -0.211 0.000 1.056 92 T CA 0.511 62.458 62.100 -0.255 0.000 1.137 92 T CB 0.722 69.420 68.868 -0.284 0.000 0.976 92 T HN 0.869 nan 8.240 nan 0.000 0.547 93 T N 1.484 115.895 114.554 -0.238 0.000 2.803 93 T HA -0.196 4.154 4.350 0.001 0.000 0.269 93 T C 1.943 176.561 174.700 -0.136 0.000 1.052 93 T CA 1.728 63.730 62.100 -0.164 0.000 1.136 93 T CB -0.433 68.353 68.868 -0.136 0.000 0.864 93 T HN 0.750 nan 8.240 nan 0.000 0.467 94 Q N 0.836 120.540 119.800 -0.160 0.000 2.079 94 Q HA 0.080 4.420 4.340 0.001 0.000 0.200 94 Q C 2.490 178.435 176.000 -0.092 0.000 0.974 94 Q CA 1.618 57.351 55.803 -0.117 0.000 0.840 94 Q CB -1.032 27.630 28.738 -0.126 0.000 0.898 94 Q HN 0.659 nan 8.270 nan 0.000 0.430 95 A N 1.209 123.971 122.820 -0.097 0.000 2.119 95 A HA -0.046 4.274 4.320 0.001 0.000 0.216 95 A C 2.195 179.747 177.584 -0.052 0.000 1.152 95 A CA 0.611 52.606 52.037 -0.070 0.000 0.708 95 A CB -0.444 18.516 19.000 -0.066 0.000 0.805 95 A HN 0.255 nan 8.150 nan 0.000 0.460 96 R N 0.024 120.489 120.500 -0.059 0.000 2.070 96 R HA -0.108 4.232 4.340 0.001 0.000 0.233 96 R C -0.868 175.419 176.300 -0.022 0.000 1.137 96 R CA 1.939 58.018 56.100 -0.034 0.000 0.945 96 R CB -1.088 29.173 30.300 -0.066 0.000 0.845 96 R HN 0.344 nan 8.270 nan 0.000 0.430 97 P HA -0.079 nan 4.420 nan 0.000 0.217 97 P C 1.028 178.298 177.300 -0.050 0.000 1.150 97 P CA 1.657 64.731 63.100 -0.043 0.000 0.832 97 P CB -0.283 31.387 31.700 -0.050 0.000 0.787 98 G N -0.331 108.437 108.800 -0.055 0.000 2.418 98 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 98 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 98 G C 1.330 176.178 174.900 -0.087 0.000 1.158 98 G CA 0.679 45.740 45.100 -0.065 0.000 0.771 98 G HN 0.154 nan 8.290 nan 0.000 0.545 99 L N 0.241 121.413 121.223 -0.084 0.000 2.072 99 L HA 0.170 4.511 4.340 0.001 0.000 0.205 99 L C 2.880 179.613 176.870 -0.228 0.000 1.079 99 L CA 0.850 55.593 54.840 -0.162 0.000 0.752 99 L CB -0.702 41.312 42.059 -0.076 0.000 0.906 99 L HN 0.163 nan 8.230 nan 0.000 0.436 100 L N -1.305 119.889 121.223 -0.048 0.000 2.012 100 L HA -0.259 4.081 4.340 0.001 0.000 0.210 100 L C 2.435 179.268 176.870 -0.062 0.000 1.073 100 L CA 1.704 56.546 54.840 0.003 0.000 0.748 100 L CB -1.160 40.928 42.059 0.050 0.000 0.891 100 L HN 0.272 nan 8.230 nan 0.000 0.431 101 T N -0.833 113.678 114.554 -0.071 0.000 2.665 101 T HA -0.311 4.039 4.350 0.001 0.000 0.268 101 T C 1.892 176.534 174.700 -0.098 0.000 1.035 101 T CA 1.714 63.768 62.100 -0.075 0.000 1.151 101 T CB -0.298 68.528 68.868 -0.070 0.000 0.862 101 T HN 0.383 nan 8.240 nan 0.000 0.438 102 Q N 0.361 120.078 119.800 -0.138 0.000 2.124 102 Q HA 0.034 4.374 4.340 0.001 0.000 0.202 102 Q C 2.632 178.526 176.000 -0.177 0.000 0.977 102 Q CA 1.399 57.108 55.803 -0.157 0.000 0.850 102 Q CB -0.276 28.349 28.738 -0.189 0.000 0.901 102 Q HN 0.589 nan 8.270 nan 0.000 0.429 103 A N 0.376 123.054 122.820 -0.236 0.000 1.898 103 A HA -0.094 4.226 4.320 0.001 0.000 0.214 103 A C 1.988 179.527 177.584 -0.074 0.000 1.183 103 A CA 0.822 52.738 52.037 -0.201 0.000 0.622 103 A CB -0.406 18.427 19.000 -0.278 0.000 0.824 103 A HN 0.288 nan 8.150 nan 0.000 0.444 104 I N 0.307 120.849 120.570 -0.047 0.000 2.286 104 I HA -0.235 3.935 4.170 0.001 0.000 0.248 104 I C 2.012 178.104 176.117 -0.040 0.000 1.115 104 I CA 0.935 62.223 61.300 -0.020 0.000 1.392 104 I CB -0.338 37.656 38.000 -0.011 0.000 1.065 104 I HN 0.278 nan 8.210 nan 0.000 0.418 105 N N 0.998 119.664 118.700 -0.056 0.000 2.244 105 N HA -0.071 4.669 4.740 0.001 0.000 0.183 105 N C 1.644 177.121 175.510 -0.055 0.000 1.016 105 N CA 1.453 54.471 53.050 -0.054 0.000 0.866 105 N CB -0.124 38.327 38.487 -0.059 0.000 0.980 105 N HN 0.330 nan 8.380 nan 0.000 0.430 106 A N -0.314 122.467 122.820 -0.064 0.000 2.251 106 A HA 0.426 4.746 4.320 0.001 0.000 0.209 106 A C 1.236 178.786 177.584 -0.058 0.000 1.187 106 A CA 0.620 52.622 52.037 -0.059 0.000 0.823 106 A CB -0.225 18.737 19.000 -0.064 0.000 0.846 106 A HN 0.280 nan 8.150 nan 0.000 0.486 107 G N -0.212 108.548 108.800 -0.066 0.000 2.142 107 G HA2 -0.206 3.755 3.960 0.001 0.000 0.225 107 G HA3 -0.206 3.755 3.960 0.001 0.000 0.225 107 G C -0.111 174.698 174.900 -0.152 0.000 1.015 107 G CA 0.191 45.234 45.100 -0.096 0.000 0.716 107 G HN 0.521 nan 8.290 nan 0.000 0.508 108 K N 0.852 121.195 120.400 -0.095 0.000 2.183 108 K HA 0.384 4.704 4.320 0.001 0.000 0.274 108 K C 0.295 176.879 176.600 -0.026 0.000 1.009 108 K CA -0.949 55.300 56.287 -0.064 0.000 0.888 108 K CB 0.902 33.448 32.500 0.076 0.000 1.078 108 K HN 0.368 nan 8.250 nan 0.000 0.459 109 H N 0.980 120.142 119.070 0.154 0.000 2.972 109 H HA 0.032 4.589 4.556 0.001 0.000 0.343 109 H C -0.271 175.272 175.328 0.359 0.000 1.054 109 H CA 0.221 56.406 56.048 0.228 0.000 1.412 109 H CB 0.746 30.595 29.762 0.144 0.000 1.385 109 H HN 0.117 nan 8.280 nan 0.000 0.600 110 V N 4.483 124.731 119.914 0.558 0.000 2.577 110 V HA 0.197 4.318 4.120 0.001 0.000 0.303 110 V C -1.295 174.989 176.094 0.318 0.000 1.042 110 V CA -0.615 61.948 62.300 0.439 0.000 0.872 110 V CB 1.831 33.858 31.823 0.341 0.000 0.998 110 V HN 0.654 nan 8.190 nan 0.000 0.423 111 Y N 5.768 126.078 120.300 0.015 0.000 2.421 111 Y HA 0.748 5.298 4.550 0.001 0.000 0.339 111 Y C -0.238 175.617 175.900 -0.073 0.000 0.996 111 Y CA -1.032 56.899 58.100 -0.282 0.000 1.046 111 Y CB 1.787 39.875 38.460 -0.619 0.000 1.226 111 Y HN 0.921 nan 8.280 nan 0.000 0.445 112 C N 3.770 122.704 119.300 -0.610 0.000 3.288 112 C HA 0.639 5.100 4.460 0.001 0.000 0.318 112 C C -0.737 173.960 174.990 -0.489 0.000 1.356 112 C CA -0.925 57.789 59.018 -0.506 0.000 1.359 112 C CB 1.757 29.293 27.740 -0.340 0.000 1.688 112 C HN 0.835 nan 8.230 nan 0.000 0.467 113 E N 1.388 121.356 120.200 -0.386 0.000 2.376 113 E HA 0.212 4.562 4.350 0.001 0.000 0.254 113 E C -0.307 176.204 176.600 -0.149 0.000 1.213 113 E CA -0.060 56.226 56.400 -0.190 0.000 0.945 113 E CB 0.788 30.421 29.700 -0.112 0.000 1.057 113 E HN 0.744 nan 8.360 nan 0.000 0.479 114 K N 1.587 121.947 120.400 -0.066 0.000 2.098 114 K HA 0.367 4.687 4.320 0.001 0.000 0.261 114 K C -2.421 174.157 176.600 -0.036 0.000 0.987 114 K CA -1.460 54.784 56.287 -0.073 0.000 0.916 114 K CB 0.586 33.020 32.500 -0.111 0.000 1.039 114 K HN 0.065 nan 8.250 nan 0.000 0.455 115 P HA 0.135 nan 4.420 nan 0.000 0.276 115 P C 0.556 177.824 177.300 -0.052 0.000 1.252 115 P CA -0.452 62.622 63.100 -0.044 0.000 0.802 115 P CB 0.393 32.084 31.700 -0.015 0.000 1.035 116 I N -2.100 118.446 120.570 -0.041 0.000 3.111 116 I HA 0.392 4.562 4.170 0.001 0.000 0.272 116 I C 0.533 176.627 176.117 -0.039 0.000 1.268 116 I CA 0.470 61.742 61.300 -0.048 0.000 1.467 116 I CB -0.165 37.815 38.000 -0.033 0.000 1.087 116 I HN 0.162 nan 8.210 nan 0.000 0.467 117 A N -0.082 122.724 122.820 -0.024 0.000 2.601 117 A HA 0.494 4.815 4.320 0.001 0.000 0.291 117 A C 0.526 178.105 177.584 -0.009 0.000 1.075 117 A CA -0.182 51.841 52.037 -0.024 0.000 0.671 117 A CB 0.673 19.660 19.000 -0.022 0.000 1.277 117 A HN 0.016 nan 8.150 nan 0.000 0.417 118 T N 1.228 115.772 114.554 -0.016 0.000 2.867 118 T HA -0.021 4.330 4.350 0.001 0.000 0.268 118 T C 0.752 175.470 174.700 0.029 0.000 1.057 118 T CA 1.806 63.904 62.100 -0.003 0.000 1.136 118 T CB -0.298 68.558 68.868 -0.020 0.000 0.874 118 T HN 0.798 nan 8.240 nan 0.000 0.466 119 N N -0.961 117.761 118.700 0.036 0.000 2.396 119 N HA 0.085 4.825 4.740 0.001 0.000 0.275 119 N C 0.175 175.749 175.510 0.106 0.000 1.218 119 N CA -0.570 52.526 53.050 0.076 0.000 0.812 119 N CB 1.054 39.574 38.487 0.055 0.000 1.592 119 N HN -0.041 nan 8.380 nan 0.000 0.480 120 F N 2.550 122.504 119.950 0.007 0.000 2.095 120 F HA -0.151 4.377 4.527 0.001 0.000 0.298 120 F C 2.147 177.950 175.800 0.005 0.000 1.104 120 F CA 2.594 60.600 58.000 0.010 0.000 1.232 120 F CB -0.200 38.811 39.000 0.020 0.000 0.987 120 F HN 0.829 nan 8.300 nan 0.000 0.475 121 E N -0.086 119.976 120.200 -0.230 0.000 2.077 121 E HA -0.255 4.095 4.350 0.001 0.000 0.193 121 E C 2.054 178.491 176.600 -0.270 0.000 0.989 121 E CA 1.772 57.963 56.400 -0.347 0.000 0.800 121 E CB -0.930 28.693 29.700 -0.130 0.000 0.746 121 E HN 0.640 nan 8.360 nan 0.000 0.452 122 E N 0.413 120.521 120.200 -0.153 0.000 2.106 122 E HA -0.152 4.198 4.350 0.001 0.000 0.192 122 E C 2.034 178.556 176.600 -0.130 0.000 0.984 122 E CA 1.131 57.462 56.400 -0.115 0.000 0.806 122 E CB -0.215 29.445 29.700 -0.067 0.000 0.750 122 E HN 0.419 nan 8.360 nan 0.000 0.458 123 A N 0.720 123.460 122.820 -0.134 0.000 1.902 123 A HA -0.160 4.161 4.320 0.001 0.000 0.217 123 A C 2.090 179.577 177.584 -0.160 0.000 1.181 123 A CA 1.150 53.125 52.037 -0.103 0.000 0.623 123 A CB -0.589 18.402 19.000 -0.015 0.000 0.818 123 A HN 0.360 nan 8.150 nan 0.000 0.443 124 L N 0.030 121.055 121.223 -0.330 0.000 2.201 124 L HA -0.080 4.260 4.340 0.001 0.000 0.212 124 L C 2.093 178.844 176.870 -0.200 0.000 1.105 124 L CA 2.270 56.920 54.840 -0.317 0.000 0.775 124 L CB -0.539 41.160 42.059 -0.600 0.000 0.913 124 L HN 0.586 nan 8.230 nan 0.000 0.440 125 E N -1.070 119.017 120.200 -0.188 0.000 2.072 125 E HA -0.166 4.185 4.350 0.001 0.000 0.191 125 E C 2.063 178.600 176.600 -0.105 0.000 0.985 125 E CA 1.443 57.766 56.400 -0.128 0.000 0.801 125 E CB 0.079 29.710 29.700 -0.114 0.000 0.750 125 E HN 0.416 nan 8.360 nan 0.000 0.452 126 V N 0.537 120.387 119.914 -0.107 0.000 2.358 126 V HA -0.228 3.892 4.120 0.001 0.000 0.246 126 V C 2.425 178.437 176.094 -0.136 0.000 1.047 126 V CA 1.244 63.483 62.300 -0.100 0.000 1.035 126 V CB -0.336 31.436 31.823 -0.084 0.000 0.658 126 V HN 0.171 nan 8.190 nan 0.000 0.452 127 V N -0.136 119.692 119.914 -0.142 0.000 2.282 127 V HA -0.340 3.781 4.120 0.001 0.000 0.249 127 V C 2.459 178.468 176.094 -0.141 0.000 1.057 127 V CA 2.308 64.499 62.300 -0.181 0.000 1.032 127 V CB -0.736 31.039 31.823 -0.080 0.000 0.645 127 V HN 0.516 nan 8.190 nan 0.000 0.447 128 K N -0.709 119.640 120.400 -0.085 0.000 2.057 128 K HA -0.172 4.148 4.320 0.001 0.000 0.207 128 K C 2.087 178.661 176.600 -0.043 0.000 1.049 128 K CA 1.413 57.671 56.287 -0.048 0.000 0.931 128 K CB -0.350 32.124 32.500 -0.044 0.000 0.714 128 K HN 0.284 nan 8.250 nan 0.000 0.440 129 L N 1.033 122.219 121.223 -0.061 0.000 1.970 129 L HA -0.192 4.149 4.340 0.001 0.000 0.212 129 L C 2.217 179.066 176.870 -0.035 0.000 1.071 129 L CA 2.065 56.876 54.840 -0.047 0.000 0.751 129 L CB -0.750 41.276 42.059 -0.055 0.000 0.889 129 L HN 0.143 nan 8.230 nan 0.000 0.432 130 A N -0.410 122.365 122.820 -0.075 0.000 1.892 130 A HA -0.282 4.039 4.320 0.001 0.000 0.218 130 A C 2.121 179.753 177.584 0.080 0.000 1.188 130 A CA 2.171 54.185 52.037 -0.038 0.000 0.631 130 A CB -0.988 17.856 19.000 -0.260 0.000 0.822 130 A HN 0.639 nan 8.150 nan 0.000 0.447 131 N N 0.161 118.896 118.700 0.059 0.000 2.149 131 N HA -0.095 4.645 4.740 0.001 0.000 0.188 131 N C 1.958 177.522 175.510 0.090 0.000 1.019 131 N CA 1.621 54.764 53.050 0.154 0.000 0.857 131 N CB -0.455 38.111 38.487 0.131 0.000 0.997 131 N HN 0.470 nan 8.380 nan 0.000 0.426 132 S N 0.469 116.196 115.700 0.045 0.000 2.387 132 S HA 0.026 4.496 4.470 0.001 0.000 0.226 132 S C 1.602 176.219 174.600 0.027 0.000 1.026 132 S CA 0.851 59.068 58.200 0.028 0.000 0.972 132 S CB 0.107 63.311 63.200 0.008 0.000 0.814 132 S HN 0.243 nan 8.310 nan 0.000 0.477 133 K N 0.403 120.820 120.400 0.028 0.000 2.418 133 K HA 0.165 4.486 4.320 0.001 0.000 0.195 133 K C 1.500 178.114 176.600 0.024 0.000 1.035 133 K CA 0.743 57.039 56.287 0.016 0.000 1.003 133 K CB -0.323 32.180 32.500 0.005 0.000 0.793 133 K HN 0.484 nan 8.250 nan 0.000 0.494 134 G N 1.283 110.115 108.800 0.054 0.000 2.175 134 G HA2 -0.275 3.685 3.960 0.001 0.000 0.244 134 G HA3 -0.275 3.685 3.960 0.001 0.000 0.244 134 G C 0.342 175.291 174.900 0.081 0.000 0.982 134 G CA 0.346 45.479 45.100 0.056 0.000 0.641 134 G HN 0.248 nan 8.290 nan 0.000 0.527 135 V N -1.677 118.300 119.914 0.106 0.000 2.881 135 V HA 0.698 4.818 4.120 0.001 0.000 0.303 135 V C 0.585 176.869 176.094 0.316 0.000 1.070 135 V CA -1.073 61.320 62.300 0.155 0.000 1.074 135 V CB 1.320 33.188 31.823 0.076 0.000 1.012 135 V HN 0.226 nan 8.190 nan 0.000 0.482 136 K N 2.837 123.500 120.400 0.439 0.000 2.144 136 K HA 0.451 4.771 4.320 0.001 0.000 0.270 136 K C -0.666 176.223 176.600 0.481 0.000 1.005 136 K CA -0.185 56.241 56.287 0.232 0.000 0.932 136 K CB 1.087 33.478 32.500 -0.183 0.000 1.021 136 K HN 1.205 nan 8.250 nan 0.000 0.462 137 H N -2.288 117.091 119.070 0.516 0.000 2.974 137 H HA 0.674 5.230 4.556 0.001 0.000 0.366 137 H C -0.517 175.063 175.328 0.421 0.000 1.155 137 H CA -1.096 55.220 56.048 0.446 0.000 1.186 137 H CB 1.818 31.741 29.762 0.269 0.000 1.799 137 H HN 0.696 nan 8.280 nan 0.000 0.541 138 G N 0.104 109.035 108.800 0.217 0.000 2.690 138 G HA2 0.511 4.471 3.960 0.001 0.000 0.293 138 G HA3 0.511 4.471 3.960 0.001 0.000 0.293 138 G C -1.482 173.423 174.900 0.009 0.000 1.399 138 G CA -0.794 44.428 45.100 0.203 0.000 0.890 138 G HN 0.737 nan 8.290 nan 0.000 0.485 139 T N -0.322 114.250 114.554 0.032 0.000 2.900 139 T HA 0.494 4.845 4.350 0.001 0.000 0.295 139 T C -0.237 174.317 174.700 -0.243 0.000 1.044 139 T CA -0.324 61.630 62.100 -0.244 0.000 0.995 139 T CB 1.542 70.335 68.868 -0.126 0.000 1.072 139 T HN 0.534 nan 8.240 nan 0.000 0.473 140 V N 5.533 125.221 119.914 -0.377 0.000 2.529 140 V HA 0.223 4.343 4.120 0.001 0.000 0.292 140 V C 0.494 176.423 176.094 -0.274 0.000 1.028 140 V CA 0.477 62.647 62.300 -0.217 0.000 1.074 140 V CB 0.830 32.648 31.823 -0.008 0.000 0.958 140 V HN 0.841 nan 8.190 nan 0.000 0.481 141 Q N 3.035 122.576 119.800 -0.432 0.000 2.719 141 Q HA 0.136 4.476 4.340 0.001 0.000 0.376 141 Q C 0.608 176.308 176.000 -0.500 0.000 0.856 141 Q CA -0.332 54.922 55.803 -0.915 0.000 1.038 141 Q CB 0.660 28.454 28.738 -1.574 0.000 1.418 141 Q HN 0.990 nan 8.270 nan 0.000 0.395 142 D N 0.935 121.215 120.400 -0.200 0.000 2.133 142 D HA -0.242 4.399 4.640 0.001 0.000 0.195 142 D C 1.129 177.449 176.300 0.032 0.000 0.997 142 D CA 1.117 54.978 54.000 -0.232 0.000 0.840 142 D CB 0.237 40.629 40.800 -0.680 0.000 0.947 142 D HN 0.168 nan 8.370 nan 0.000 0.452 143 K N -0.251 120.284 120.400 0.224 0.000 2.113 143 K HA -0.129 4.191 4.320 0.001 0.000 0.208 143 K C 2.103 178.772 176.600 0.116 0.000 1.047 143 K CA 0.532 56.941 56.287 0.203 0.000 0.928 143 K CB -0.177 32.452 32.500 0.214 0.000 0.716 143 K HN 0.038 nan 8.250 nan 0.000 0.446 144 L N -0.412 120.858 121.223 0.078 0.000 2.349 144 L HA -0.135 4.206 4.340 0.001 0.000 0.220 144 L C 1.241 177.862 176.870 -0.414 0.000 1.130 144 L CA 1.649 56.346 54.840 -0.239 0.000 0.791 144 L CB -0.398 41.355 42.059 -0.510 0.000 0.918 144 L HN 0.131 nan 8.230 nan 0.000 0.444 145 F N -1.977 117.907 119.950 -0.111 0.000 2.695 145 F HA 0.184 4.711 4.527 0.001 0.000 0.303 145 F C 0.987 176.741 175.800 -0.077 0.000 1.091 145 F CA -0.615 57.332 58.000 -0.088 0.000 1.300 145 F CB -0.044 38.877 39.000 -0.132 0.000 1.071 145 F HN -0.235 nan 8.300 nan 0.000 0.578 146 L N 2.478 123.729 121.223 0.047 0.000 2.499 146 L HA 0.008 4.349 4.340 0.001 0.000 0.273 146 L C -1.283 175.510 176.870 -0.128 0.000 1.195 146 L CA -1.267 53.565 54.840 -0.013 0.000 0.882 146 L CB 0.229 42.302 42.059 0.024 0.000 1.133 146 L HN -0.125 nan 8.230 nan 0.000 0.483 147 P HA -0.150 nan 4.420 nan 0.000 0.219 147 P C 1.445 178.522 177.300 -0.372 0.000 1.146 147 P CA 1.253 63.904 63.100 -0.749 0.000 0.808 147 P CB 0.216 31.233 31.700 -1.140 0.000 0.779 148 G N -0.271 108.426 108.800 -0.171 0.000 2.421 148 G HA2 -0.205 3.755 3.960 0.001 0.000 0.216 148 G HA3 -0.205 3.755 3.960 0.001 0.000 0.216 148 G C 1.404 176.306 174.900 0.003 0.000 1.171 148 G CA 0.508 45.584 45.100 -0.039 0.000 0.775 148 G HN 0.244 nan 8.290 nan 0.000 0.543 149 L N -0.162 121.050 121.223 -0.019 0.000 2.270 149 L HA 0.089 4.430 4.340 0.001 0.000 0.210 149 L C 2.814 179.657 176.870 -0.045 0.000 1.104 149 L CA 0.524 55.343 54.840 -0.036 0.000 0.804 149 L CB -0.181 41.830 42.059 -0.079 0.000 0.937 149 L HN 0.158 nan 8.230 nan 0.000 0.450 150 K N 0.581 120.952 120.400 -0.048 0.000 2.097 150 K HA -0.169 4.151 4.320 0.001 0.000 0.206 150 K C 2.027 178.693 176.600 0.110 0.000 1.049 150 K CA 1.128 57.426 56.287 0.020 0.000 0.933 150 K CB -0.046 32.507 32.500 0.089 0.000 0.717 150 K HN 0.264 nan 8.250 nan 0.000 0.442 151 K N 0.638 121.097 120.400 0.098 0.000 2.097 151 K HA -0.075 4.245 4.320 0.001 0.000 0.206 151 K C 2.083 178.809 176.600 0.210 0.000 1.049 151 K CA 0.900 57.300 56.287 0.188 0.000 0.933 151 K CB -0.006 32.571 32.500 0.128 0.000 0.717 151 K HN 0.036 nan 8.250 nan 0.000 0.442 152 I N 1.073 121.739 120.570 0.159 0.000 2.179 152 I HA -0.227 3.943 4.170 0.001 0.000 0.242 152 I C 2.435 178.667 176.117 0.190 0.000 1.088 152 I CA 1.313 62.747 61.300 0.223 0.000 1.357 152 I CB -1.297 36.818 38.000 0.193 0.000 1.051 152 I HN 0.114 nan 8.210 nan 0.000 0.409 153 A N 0.480 123.355 122.820 0.092 0.000 1.933 153 A HA -0.266 4.054 4.320 0.001 0.000 0.218 153 A C 2.263 179.927 177.584 0.133 0.000 1.175 153 A CA 1.472 53.547 52.037 0.062 0.000 0.628 153 A CB -1.041 17.963 19.000 0.006 0.000 0.814 153 A HN 0.427 nan 8.150 nan 0.000 0.444 154 F N 0.480 120.452 119.950 0.037 0.000 2.186 154 F HA -0.047 4.481 4.527 0.001 0.000 0.299 154 F C 1.736 177.546 175.800 0.017 0.000 1.090 154 F CA 1.290 59.308 58.000 0.030 0.000 1.307 154 F CB -0.255 38.762 39.000 0.029 0.000 1.019 154 F HN 0.131 nan 8.300 nan 0.000 0.489 155 L N 0.245 121.317 121.223 -0.251 0.000 2.027 155 L HA -0.163 4.177 4.340 0.001 0.000 0.206 155 L C 2.776 179.525 176.870 -0.202 0.000 1.074 155 L CA 1.654 56.221 54.840 -0.455 0.000 0.745 155 L CB -0.779 40.994 42.059 -0.477 0.000 0.898 155 L HN 0.123 nan 8.230 nan 0.000 0.433 156 R N 0.500 121.097 120.500 0.161 0.000 2.094 156 R HA -0.223 4.117 4.340 0.001 0.000 0.239 156 R C 1.873 178.229 176.300 0.094 0.000 1.137 156 R CA 2.312 58.589 56.100 0.295 0.000 0.943 156 R CB -0.336 30.111 30.300 0.246 0.000 0.850 156 R HN 0.292 nan 8.270 nan 0.000 0.433 157 D N 0.278 120.685 120.400 0.012 0.000 2.123 157 D HA -0.126 4.514 4.640 0.001 0.000 0.196 157 D C 1.788 178.058 176.300 -0.051 0.000 0.992 157 D CA 1.960 55.958 54.000 -0.003 0.000 0.833 157 D CB -0.237 40.582 40.800 0.032 0.000 0.954 157 D HN 0.442 nan 8.370 nan 0.000 0.455 158 S N -0.942 114.645 115.700 -0.187 0.000 2.650 158 S HA 0.292 4.763 4.470 0.001 0.000 0.219 158 S C 1.612 176.155 174.600 -0.095 0.000 0.960 158 S CA 0.509 58.595 58.200 -0.192 0.000 0.925 158 S CB 0.205 63.127 63.200 -0.465 0.000 0.775 158 S HN 0.340 nan 8.310 nan 0.000 0.525 159 G N 1.077 109.852 108.800 -0.041 0.000 2.143 159 G HA2 -0.357 3.603 3.960 0.001 0.000 0.248 159 G HA3 -0.357 3.603 3.960 0.001 0.000 0.248 159 G C 0.224 175.134 174.900 0.016 0.000 0.991 159 G CA 0.251 45.357 45.100 0.009 0.000 0.689 159 G HN 0.649 nan 8.290 nan 0.000 0.522 160 F N 0.392 120.211 119.950 -0.218 0.000 2.171 160 F HA 0.186 4.713 4.527 0.001 0.000 0.300 160 F C 2.047 177.726 175.800 -0.201 0.000 1.090 160 F CA 1.895 59.730 58.000 -0.276 0.000 1.293 160 F CB -0.142 38.564 39.000 -0.490 0.000 1.013 160 F HN 0.127 nan 8.300 nan 0.000 0.486 161 F N 0.837 120.800 119.950 0.021 0.000 2.661 161 F HA 0.237 4.764 4.527 0.000 0.000 0.298 161 F C 2.106 177.800 175.800 -0.177 0.000 1.137 161 F CA 0.635 58.590 58.000 -0.075 0.000 1.454 161 F CB -0.916 38.136 39.000 0.087 0.000 1.103 161 F HN 0.246 nan 8.300 nan 0.000 0.577 162 G N 0.501 109.249 108.800 -0.088 0.000 2.620 162 G HA2 -0.400 3.561 3.960 0.001 0.000 0.315 162 G HA3 -0.400 3.561 3.960 0.001 0.000 0.315 162 G C 0.505 175.306 174.900 -0.165 0.000 1.179 162 G CA 0.312 45.160 45.100 -0.422 0.000 0.971 162 G HN 0.403 nan 8.290 nan 0.000 0.544 163 R N 0.745 121.141 120.500 -0.173 0.000 2.207 163 R HA 0.569 4.909 4.340 0.001 0.000 0.334 163 R C 0.537 176.820 176.300 -0.028 0.000 1.013 163 R CA -0.698 55.360 56.100 -0.069 0.000 0.858 163 R CB 0.099 30.351 30.300 -0.080 0.000 1.094 163 R HN 0.433 nan 8.270 nan 0.000 0.457 164 I N 6.606 127.163 120.570 -0.021 0.000 2.668 164 I HA -0.133 4.037 4.170 0.001 0.000 0.285 164 I C 0.937 176.997 176.117 -0.095 0.000 1.168 164 I CA 0.384 61.616 61.300 -0.114 0.000 1.424 164 I CB 0.737 38.645 38.000 -0.153 0.000 1.377 164 I HN 0.735 nan 8.210 nan 0.000 0.560 165 L N 4.990 126.149 121.223 -0.106 0.000 2.433 165 L HA 0.165 4.506 4.340 0.001 0.000 0.200 165 L C 0.646 177.460 176.870 -0.093 0.000 1.059 165 L CA 0.314 55.109 54.840 -0.075 0.000 0.835 165 L CB -0.018 42.013 42.059 -0.046 0.000 1.076 165 L HN 0.750 nan 8.230 nan 0.000 0.481 166 S N -1.184 114.437 115.700 -0.131 0.000 2.570 166 S HA 0.735 5.206 4.470 0.001 0.000 0.270 166 S C -1.042 173.430 174.600 -0.214 0.000 1.149 166 S CA -0.711 57.410 58.200 -0.131 0.000 0.837 166 S CB 2.504 65.665 63.200 -0.066 0.000 1.124 166 S HN -0.187 nan 8.310 nan 0.000 0.465 167 V N 1.280 121.066 119.914 -0.215 0.000 2.760 167 V HA 0.663 4.783 4.120 0.001 0.000 0.309 167 V C -0.624 175.408 176.094 -0.103 0.000 1.077 167 V CA -0.641 61.489 62.300 -0.283 0.000 0.910 167 V CB 2.054 33.513 31.823 -0.607 0.000 1.008 167 V HN 0.952 nan 8.190 nan 0.000 0.424 168 R N 1.988 122.449 120.500 -0.065 0.000 2.473 168 R HA 0.639 4.979 4.340 0.001 0.000 0.303 168 R C 0.020 176.178 176.300 -0.235 0.000 1.002 168 R CA -0.286 55.769 56.100 -0.075 0.000 0.884 168 R CB 1.954 32.228 30.300 -0.044 0.000 1.173 168 R HN 0.953 nan 8.270 nan 0.000 0.464 169 G N 1.738 110.284 108.800 -0.422 0.000 2.389 169 G HA2 0.409 4.370 3.960 0.001 0.000 0.317 169 G HA3 0.409 4.370 3.960 0.001 0.000 0.317 169 G C -0.764 173.807 174.900 -0.549 0.000 1.137 169 G CA -0.206 44.323 45.100 -0.951 0.000 0.870 169 G HN 0.369 nan 8.290 nan 0.000 0.496 170 E N 0.558 120.453 120.200 -0.507 0.000 2.281 170 E HA 0.325 4.676 4.350 0.001 0.000 0.266 170 E C -1.936 174.577 176.600 -0.145 0.000 0.893 170 E CA -0.522 55.734 56.400 -0.240 0.000 0.798 170 E CB 2.464 32.081 29.700 -0.139 0.000 1.245 170 E HN 0.387 nan 8.360 nan 0.000 0.410 171 F N 1.848 121.656 119.950 -0.237 0.000 2.561 171 F HA 0.694 5.221 4.527 0.001 0.000 0.313 171 F C 0.099 175.823 175.800 -0.128 0.000 1.126 171 F CA 0.260 58.187 58.000 -0.122 0.000 0.918 171 F CB 1.618 40.615 39.000 -0.006 0.000 1.199 171 F HN 0.587 nan 8.300 nan 0.000 0.444 172 G N 3.589 111.718 108.800 -1.120 0.000 2.331 172 G HA2 0.292 4.252 3.960 0.001 0.000 0.402 172 G HA3 0.292 4.252 3.960 0.001 0.000 0.402 172 G C -2.005 172.791 174.900 -0.174 0.000 1.275 172 G CA -0.228 44.282 45.100 -0.984 0.000 1.003 172 G HN 1.697 nan 8.290 nan 0.000 0.500 173 Y N -4.545 115.656 120.300 -0.164 0.000 2.925 173 Y HA 0.676 5.226 4.550 0.000 0.000 0.349 173 Y C -1.203 174.744 175.900 0.078 0.000 1.342 173 Y CA -1.822 56.274 58.100 -0.007 0.000 1.093 173 Y CB 0.744 39.203 38.460 -0.001 0.000 1.571 173 Y HN 0.955 nan 8.280 nan 0.000 0.438 174 W N 3.440 124.734 121.300 -0.011 0.000 2.332 174 W HA 0.606 5.267 4.660 0.001 0.000 0.306 174 W C -1.386 174.917 176.519 -0.359 0.000 1.149 174 W CA -0.731 56.485 57.345 -0.215 0.000 1.271 174 W CB 1.582 30.869 29.460 -0.288 0.000 1.243 174 W HN 0.433 nan 8.180 nan 0.000 0.459 175 V N 8.515 128.116 119.914 -0.521 0.000 2.368 175 V HA 0.046 4.167 4.120 0.001 0.000 0.266 175 V C 0.234 176.141 176.094 -0.312 0.000 1.045 175 V CA -0.600 61.472 62.300 -0.379 0.000 0.899 175 V CB -0.237 31.349 31.823 -0.395 0.000 1.006 175 V HN 0.215 nan 8.190 nan 0.000 0.470 176 F N 3.084 123.129 119.950 0.159 0.000 2.607 176 F HA 0.053 4.580 4.527 0.001 0.000 0.374 176 F C 1.526 177.364 175.800 0.063 0.000 1.104 176 F CA 0.063 58.210 58.000 0.244 0.000 1.296 176 F CB 0.237 39.368 39.000 0.218 0.000 1.085 176 F HN 0.544 nan 8.300 nan 0.000 0.584 177 E N 1.455 121.838 120.200 0.305 0.000 2.333 177 E HA 0.044 4.394 4.350 0.001 0.000 0.198 177 E C 1.965 178.652 176.600 0.144 0.000 1.007 177 E CA 1.143 57.609 56.400 0.110 0.000 0.845 177 E CB -0.184 29.605 29.700 0.149 0.000 0.766 177 E HN 0.948 nan 8.360 nan 0.000 0.507 178 G N -1.004 107.878 108.800 0.137 0.000 2.213 178 G HA2 -0.259 3.701 3.960 0.001 0.000 0.226 178 G HA3 -0.259 3.701 3.960 0.001 0.000 0.226 178 G C 1.108 175.808 174.900 -0.333 0.000 0.992 178 G CA 0.177 45.311 45.100 0.058 0.000 0.632 178 G HN 0.489 nan 8.290 nan 0.000 0.511 179 G N 0.157 108.605 108.800 -0.586 0.000 2.524 179 G HA2 0.032 3.992 3.960 0.001 0.000 0.215 179 G HA3 0.032 3.992 3.960 0.001 0.000 0.215 179 G C 1.434 175.753 174.900 -0.968 0.000 1.239 179 G CA 1.541 45.858 45.100 -1.307 0.000 0.798 179 G HN 0.618 nan 8.290 nan 0.000 0.557 180 W N 1.039 122.229 121.300 -0.183 0.000 2.525 180 W HA 0.293 4.953 4.660 0.001 0.000 0.288 180 W C 1.539 177.948 176.519 -0.183 0.000 1.200 180 W CA 0.170 57.418 57.345 -0.162 0.000 1.349 180 W CB 0.220 29.608 29.460 -0.120 0.000 1.102 180 W HN 0.222 nan 8.180 nan 0.000 0.558 181 Q N 0.566 120.348 119.800 -0.029 0.000 2.433 181 Q HA 0.390 4.730 4.340 0.001 0.000 0.279 181 Q C -1.015 174.940 176.000 -0.075 0.000 1.105 181 Q CA -0.945 54.768 55.803 -0.149 0.000 0.815 181 Q CB 2.088 30.578 28.738 -0.412 0.000 1.403 181 Q HN -0.004 nan 8.270 nan 0.000 0.435 182 E N 0.541 120.720 120.200 -0.034 0.000 2.383 182 E HA 0.349 4.699 4.350 0.001 0.000 0.264 182 E C -0.671 176.017 176.600 0.147 0.000 1.050 182 E CA -0.193 56.233 56.400 0.043 0.000 0.896 182 E CB 0.895 30.617 29.700 0.037 0.000 0.982 182 E HN 0.627 nan 8.360 nan 0.000 0.424 183 A N 3.213 126.123 122.820 0.149 0.000 2.462 183 A HA 0.005 4.325 4.320 0.001 0.000 0.243 183 A C 0.371 178.046 177.584 0.152 0.000 1.076 183 A CA -0.067 52.068 52.037 0.164 0.000 0.773 183 A CB 0.440 19.497 19.000 0.095 0.000 1.010 183 A HN 0.784 nan 8.150 nan 0.000 0.493 184 Q N 0.215 120.113 119.800 0.164 0.000 2.451 184 Q HA 0.073 4.413 4.340 0.001 0.000 0.206 184 Q C 0.059 176.091 176.000 0.055 0.000 0.947 184 Q CA 0.904 56.792 55.803 0.140 0.000 0.937 184 Q CB 0.185 29.052 28.738 0.214 0.000 1.025 184 Q HN 0.672 nan 8.270 nan 0.000 0.511 185 R N 0.234 120.733 120.500 -0.002 0.000 2.744 185 R HA 0.426 4.766 4.340 0.001 0.000 0.279 185 R C -2.770 173.496 176.300 -0.057 0.000 0.977 185 R CA -2.282 53.760 56.100 -0.095 0.000 0.906 185 R CB 1.076 31.195 30.300 -0.301 0.000 1.197 185 R HN -0.147 nan 8.270 nan 0.000 0.463 186 P HA -0.062 nan 4.420 nan 0.000 0.264 186 P C 0.520 177.708 177.300 -0.187 0.000 1.183 186 P CA 0.232 63.274 63.100 -0.097 0.000 0.763 186 P CB 0.726 32.389 31.700 -0.062 0.000 0.807 187 S N 3.190 118.878 115.700 -0.021 0.000 2.399 187 S HA -0.172 4.298 4.470 0.001 0.000 0.231 187 S C 1.805 176.358 174.600 -0.079 0.000 1.022 187 S CA 0.509 58.736 58.200 0.045 0.000 0.983 187 S CB -1.320 61.799 63.200 -0.135 0.000 0.803 187 S HN 0.750 nan 8.310 nan 0.000 0.480 188 W N 2.956 124.195 121.300 -0.101 0.000 2.313 188 W HA -0.191 4.470 4.660 0.001 0.000 0.293 188 W C 0.984 177.418 176.519 -0.141 0.000 1.216 188 W CA 1.034 58.309 57.345 -0.117 0.000 1.223 188 W CB -1.137 28.266 29.460 -0.096 0.000 1.138 188 W HN 0.243 nan 8.180 nan 0.000 0.535 189 N N 0.649 118.682 118.700 -1.111 0.000 2.443 189 N HA -0.166 4.575 4.740 0.001 0.000 0.184 189 N C 0.415 175.366 175.510 -0.931 0.000 1.037 189 N CA 1.301 53.533 53.050 -1.362 0.000 0.896 189 N CB -0.569 36.884 38.487 -1.724 0.000 0.959 189 N HN 0.359 nan 8.380 nan 0.000 0.442 190 Y N -0.246 119.987 120.300 -0.112 0.000 2.531 190 Y HA 0.325 4.876 4.550 0.001 0.000 0.249 190 Y C 0.174 176.157 175.900 0.137 0.000 1.168 190 Y CA -0.262 57.865 58.100 0.046 0.000 1.226 190 Y CB 0.560 39.084 38.460 0.108 0.000 1.177 190 Y HN -0.268 nan 8.280 nan 0.000 0.527 191 R N 0.461 121.068 120.500 0.177 0.000 2.337 191 R HA 0.141 4.481 4.340 0.001 0.000 0.319 191 R C -0.024 176.367 176.300 0.152 0.000 0.954 191 R CA -0.353 55.849 56.100 0.169 0.000 0.840 191 R CB 1.326 31.694 30.300 0.114 0.000 1.164 191 R HN 0.023 nan 8.270 nan 0.000 0.472 192 D N 2.759 123.241 120.400 0.136 0.000 2.123 192 D HA -0.226 4.415 4.640 0.001 0.000 0.196 192 D C 1.738 178.097 176.300 0.098 0.000 0.992 192 D CA 1.579 55.650 54.000 0.119 0.000 0.833 192 D CB 0.488 41.347 40.800 0.099 0.000 0.954 192 D HN 0.652 nan 8.370 nan 0.000 0.455 193 E N 0.061 120.309 120.200 0.079 0.000 2.219 193 E HA -0.219 4.131 4.350 0.001 0.000 0.198 193 E C 0.630 177.260 176.600 0.049 0.000 0.998 193 E CA 1.232 57.663 56.400 0.052 0.000 0.818 193 E CB -0.321 29.402 29.700 0.039 0.000 0.741 193 E HN 0.322 nan 8.360 nan 0.000 0.477 194 D N -0.009 120.443 120.400 0.087 0.000 2.342 194 D HA 0.166 4.806 4.640 0.001 0.000 0.221 194 D C 0.869 177.230 176.300 0.101 0.000 1.101 194 D CA 0.721 54.769 54.000 0.080 0.000 0.837 194 D CB 0.694 41.573 40.800 0.132 0.000 0.938 194 D HN 0.449 nan 8.370 nan 0.000 0.508 195 G N 0.450 109.328 108.800 0.130 0.000 2.175 195 G HA2 -0.209 3.752 3.960 0.001 0.000 0.244 195 G HA3 -0.209 3.752 3.960 0.001 0.000 0.244 195 G C 0.838 175.953 174.900 0.359 0.000 0.982 195 G CA -0.072 45.120 45.100 0.152 0.000 0.641 195 G HN 0.557 nan 8.290 nan 0.000 0.527 196 G N -0.422 108.611 108.800 0.388 0.000 2.664 196 G HA2 0.690 4.650 3.960 0.001 0.000 0.242 196 G HA3 0.690 4.650 3.960 0.001 0.000 0.242 196 G C 0.661 175.641 174.900 0.134 0.000 1.225 196 G CA 0.883 46.114 45.100 0.219 0.000 0.849 196 G HN 1.954 nan 8.290 nan 0.000 0.581 197 G N -0.496 108.331 108.800 0.046 0.000 2.462 197 G HA2 0.076 4.037 3.960 0.001 0.000 0.424 197 G HA3 0.076 4.037 3.960 0.001 0.000 0.424 197 G C 0.423 175.377 174.900 0.090 0.000 1.573 197 G CA -0.057 45.100 45.100 0.097 0.000 0.913 197 G HN 0.904 nan 8.290 nan 0.000 0.672 198 I N 1.929 122.549 120.570 0.083 0.000 2.353 198 I HA 0.027 4.197 4.170 0.001 0.000 0.248 198 I C 2.514 178.613 176.117 -0.029 0.000 1.119 198 I CA 0.636 61.956 61.300 0.032 0.000 1.417 198 I CB -0.117 37.787 38.000 -0.160 0.000 1.078 198 I HN 0.663 nan 8.210 nan 0.000 0.421 199 I N 0.680 121.237 120.570 -0.021 0.000 2.127 199 I HA -0.305 3.865 4.170 0.001 0.000 0.241 199 I C 2.384 178.511 176.117 0.016 0.000 1.075 199 I CA 1.684 62.981 61.300 -0.005 0.000 1.334 199 I CB -0.395 37.621 38.000 0.027 0.000 1.040 199 I HN 0.363 nan 8.210 nan 0.000 0.405 200 L N -0.455 120.799 121.223 0.052 0.000 2.478 200 L HA 0.130 4.470 4.340 0.001 0.000 0.223 200 L C 0.817 177.706 176.870 0.031 0.000 1.140 200 L CA 1.052 55.923 54.840 0.052 0.000 0.842 200 L CB -0.455 41.656 42.059 0.087 0.000 0.953 200 L HN 0.079 nan 8.230 nan 0.000 0.452 204 C N 0.829 119.988 119.300 -0.235 0.000 2.398 204 C HA -0.202 4.258 4.460 0.001 0.000 0.276 204 C C 2.574 177.339 174.990 -0.374 0.000 1.222 204 C CA 2.093 60.972 59.018 -0.233 0.000 1.746 204 C CB -1.009 26.592 27.740 -0.232 0.000 2.039 204 C HN 0.673 nan 8.230 nan 0.000 0.470 205 H N -1.775 116.925 119.070 -0.617 0.000 2.387 205 H HA -0.158 4.398 4.556 0.001 0.000 0.299 205 H C 2.229 176.993 175.328 -0.939 0.000 1.090 205 H CA 2.135 57.599 56.048 -0.973 0.000 1.332 205 H CB -0.618 28.453 29.762 -1.153 0.000 1.386 205 H HN 0.745 nan 8.280 nan 0.000 0.516 206 W N 1.039 122.140 121.300 -0.332 0.000 2.425 206 W HA -0.127 4.533 4.660 0.001 0.000 0.277 206 W C 2.760 179.048 176.519 -0.384 0.000 1.231 206 W CA 0.016 57.147 57.345 -0.358 0.000 1.248 206 W CB -0.069 29.203 29.460 -0.313 0.000 1.117 206 W HN 0.047 nan 8.180 nan 0.000 0.568 207 R N 1.524 121.968 120.500 -0.092 0.000 2.094 207 R HA -0.266 4.074 4.340 0.001 0.000 0.239 207 R C 2.175 178.466 176.300 -0.015 0.000 1.137 207 R CA 2.585 58.658 56.100 -0.046 0.000 0.943 207 R CB -1.466 28.840 30.300 0.010 0.000 0.850 207 R HN 0.472 nan 8.270 nan 0.000 0.433 208 Y N -1.560 118.733 120.300 -0.012 0.000 2.286 208 Y HA 0.114 4.664 4.550 0.001 0.000 0.293 208 Y C 1.930 177.800 175.900 -0.051 0.000 1.124 208 Y CA 0.563 58.647 58.100 -0.026 0.000 1.178 208 Y CB -1.058 37.370 38.460 -0.053 0.000 1.010 208 Y HN -0.139 nan 8.280 nan 0.000 0.536 209 V N 1.623 121.393 119.914 -0.240 0.000 2.287 209 V HA -0.326 3.794 4.120 0.001 0.000 0.248 209 V C 2.581 178.577 176.094 -0.162 0.000 1.053 209 V CA 2.364 64.562 62.300 -0.170 0.000 1.027 209 V CB -0.785 30.936 31.823 -0.171 0.000 0.646 209 V HN 0.516 nan 8.190 nan 0.000 0.447 210 L N -0.695 120.478 121.223 -0.082 0.000 2.023 210 L HA -0.125 4.215 4.340 0.001 0.000 0.205 210 L C 2.415 179.282 176.870 -0.006 0.000 1.073 210 L CA 1.541 56.391 54.840 0.016 0.000 0.745 210 L CB -0.894 41.124 42.059 -0.069 0.000 0.900 210 L HN 0.278 nan 8.230 nan 0.000 0.435 211 D N 0.426 120.824 120.400 -0.004 0.000 2.127 211 D HA -0.219 4.422 4.640 0.001 0.000 0.190 211 D C 1.983 178.274 176.300 -0.015 0.000 1.000 211 D CA 1.447 55.458 54.000 0.017 0.000 0.839 211 D CB -0.328 40.504 40.800 0.054 0.000 0.955 211 D HN 0.308 nan 8.370 nan 0.000 0.446 212 N N -0.239 118.443 118.700 -0.030 0.000 2.216 212 N HA -0.033 4.707 4.740 0.001 0.000 0.183 212 N C 2.016 177.407 175.510 -0.198 0.000 1.017 212 N CA 0.536 53.546 53.050 -0.066 0.000 0.861 212 N CB 0.125 38.614 38.487 0.004 0.000 0.986 212 N HN 0.212 nan 8.380 nan 0.000 0.428 213 L N -0.952 120.021 121.223 -0.417 0.000 2.202 213 L HA 0.077 4.417 4.340 0.001 0.000 0.205 213 L C 1.125 177.549 176.870 -0.743 0.000 1.083 213 L CA 0.822 55.184 54.840 -0.797 0.000 0.790 213 L CB -0.013 41.148 42.059 -1.497 0.000 0.942 213 L HN 0.042 nan 8.230 nan 0.000 0.452 214 F N -1.026 118.879 119.950 -0.074 0.000 2.699 214 F HA 0.512 5.040 4.527 0.001 0.000 0.295 214 F C 0.907 176.678 175.800 -0.048 0.000 1.052 214 F CA -0.087 57.867 58.000 -0.076 0.000 1.239 214 F CB 0.402 39.338 39.000 -0.105 0.000 1.018 214 F HN -0.078 nan 8.300 nan 0.000 0.627 215 G N 0.717 109.581 108.800 0.108 0.000 2.306 215 G HA2 -0.002 3.959 3.960 0.001 0.000 0.340 215 G HA3 -0.002 3.959 3.960 0.001 0.000 0.340 215 G C -1.427 173.510 174.900 0.062 0.000 1.630 215 G CA -1.337 43.805 45.100 0.071 0.000 0.937 215 G HN -0.069 nan 8.290 nan 0.000 0.693 216 N N -0.100 118.628 118.700 0.047 0.000 2.412 216 N HA 0.154 4.895 4.740 0.001 0.000 0.254 216 N C 0.810 176.358 175.510 0.064 0.000 1.232 216 N CA 0.049 53.128 53.050 0.048 0.000 0.880 216 N CB 1.518 40.031 38.487 0.042 0.000 1.076 216 N HN 0.424 nan 8.380 nan 0.000 0.458 217 V N 2.743 122.699 119.914 0.070 0.000 2.572 217 V HA -0.019 4.102 4.120 0.001 0.000 0.291 217 V C 1.408 177.573 176.094 0.119 0.000 1.039 217 V CA 0.344 62.711 62.300 0.112 0.000 1.055 217 V CB 0.836 32.727 31.823 0.113 0.000 0.969 217 V HN 0.654 nan 8.190 nan 0.000 0.482 218 Q N 2.500 122.385 119.800 0.141 0.000 2.391 218 Q HA 0.223 4.563 4.340 0.001 0.000 0.243 218 Q C 0.372 176.458 176.000 0.143 0.000 0.874 218 Q CA 0.474 56.343 55.803 0.110 0.000 0.950 218 Q CB 1.212 29.992 28.738 0.070 0.000 1.103 218 Q HN 0.899 nan 8.270 nan 0.000 0.544 219 S N -0.987 114.851 115.700 0.230 0.000 2.587 219 S HA 0.631 5.101 4.470 0.001 0.000 0.269 219 S C -1.391 173.502 174.600 0.488 0.000 1.154 219 S CA -0.853 57.540 58.200 0.323 0.000 0.824 219 S CB 2.232 65.614 63.200 0.303 0.000 1.118 219 S HN -0.007 nan 8.310 nan 0.000 0.462 220 V N 0.618 120.772 119.914 0.400 0.000 2.851 220 V HA 0.836 4.956 4.120 0.001 0.000 0.307 220 V C -1.504 174.289 176.094 -0.502 0.000 1.129 220 V CA -0.433 61.845 62.300 -0.036 0.000 0.932 220 V CB 1.765 33.560 31.823 -0.047 0.000 1.024 220 V HN 1.214 nan 8.190 nan 0.000 0.426 221 V N 6.689 125.866 119.914 -1.230 0.000 2.604 221 V HA 0.859 4.980 4.120 0.001 0.000 0.305 221 V C -0.634 175.037 176.094 -0.704 0.000 1.043 221 V CA -0.062 61.571 62.300 -1.112 0.000 0.888 221 V CB 1.538 32.294 31.823 -1.779 0.000 0.995 221 V HN 1.248 nan 8.190 nan 0.000 0.429 222 C N 7.127 126.170 119.300 -0.429 0.000 2.985 222 C HA 0.733 5.194 4.460 0.001 0.000 0.314 222 C C -1.162 173.674 174.990 -0.257 0.000 1.215 222 C CA -0.661 58.163 59.018 -0.323 0.000 1.414 222 C CB 0.931 28.510 27.740 -0.268 0.000 1.842 222 C HN 1.013 nan 8.230 nan 0.000 0.477 223 I N 3.790 124.156 120.570 -0.340 0.000 2.619 223 I HA 0.743 4.913 4.170 0.001 0.000 0.292 223 I C 0.067 175.675 176.117 -0.848 0.000 1.100 223 I CA 0.080 61.006 61.300 -0.623 0.000 1.043 223 I CB 2.020 39.851 38.000 -0.281 0.000 1.239 223 I HN 0.872 nan 8.210 nan 0.000 0.420 224 G N 3.929 111.612 108.800 -1.862 0.000 2.597 224 G HA2 0.551 4.511 3.960 0.001 0.000 0.317 224 G HA3 0.551 4.511 3.960 0.001 0.000 0.317 224 G C -1.696 172.763 174.900 -0.735 0.000 1.230 224 G CA -0.552 43.739 45.100 -1.350 0.000 0.996 224 G HN 0.602 nan 8.290 nan 0.000 0.490 225 N N -1.937 116.600 118.700 -0.272 0.000 2.598 225 N HA 0.427 5.168 4.740 0.001 0.000 0.263 225 N C -1.174 174.379 175.510 0.072 0.000 1.254 225 N CA -0.508 52.560 53.050 0.029 0.000 0.863 225 N CB 1.995 40.520 38.487 0.063 0.000 1.586 225 N HN 0.273 nan 8.380 nan 0.000 0.491 226 T N 1.563 116.192 114.554 0.125 0.000 3.145 226 T HA 0.191 4.541 4.350 0.001 0.000 0.348 226 T C 0.095 174.828 174.700 0.055 0.000 1.299 226 T CA -0.353 61.804 62.100 0.096 0.000 1.037 226 T CB 0.191 69.128 68.868 0.114 0.000 1.122 226 T HN 0.362 nan 8.240 nan 0.000 0.600 227 D N 1.645 122.059 120.400 0.024 0.000 2.144 227 D HA -0.033 4.607 4.640 0.001 0.000 0.199 227 D C 0.626 176.925 176.300 -0.002 0.000 0.984 227 D CA 1.004 55.011 54.000 0.012 0.000 0.834 227 D CB 0.248 41.036 40.800 -0.020 0.000 0.955 227 D HN 0.392 nan 8.370 nan 0.000 0.465 228 I N 1.805 122.352 120.570 -0.038 0.000 2.354 228 I HA 0.130 4.300 4.170 0.001 0.000 0.286 228 I C -1.616 174.463 176.117 -0.064 0.000 1.007 228 I CA -2.065 59.200 61.300 -0.060 0.000 1.167 228 I CB 1.522 39.439 38.000 -0.139 0.000 1.320 228 I HN -0.217 nan 8.210 nan 0.000 0.458 229 P HA 0.026 nan 4.420 nan 0.000 0.221 229 P C 0.237 177.455 177.300 -0.137 0.000 1.155 229 P CA 0.921 63.986 63.100 -0.058 0.000 0.812 229 P CB 0.928 32.608 31.700 -0.033 0.000 0.801 230 E N -0.545 119.538 120.200 -0.196 0.000 2.224 230 E HA 0.462 4.812 4.350 0.001 0.000 0.265 230 E C -0.442 175.875 176.600 -0.471 0.000 0.878 230 E CA -0.609 55.580 56.400 -0.351 0.000 0.759 230 E CB 1.829 31.355 29.700 -0.289 0.000 1.164 230 E HN -0.104 nan 8.360 nan 0.000 0.414 231 R N 2.135 122.137 120.500 -0.831 0.000 2.930 231 R HA 0.562 4.902 4.340 0.001 0.000 0.257 231 R C -1.078 174.691 176.300 -0.885 0.000 1.107 231 R CA -0.892 54.758 56.100 -0.748 0.000 0.999 231 R CB 1.245 31.141 30.300 -0.673 0.000 1.209 231 R HN 0.306 nan 8.270 nan 0.000 0.486 232 F N 0.566 120.389 119.950 -0.211 0.000 2.458 232 F HA 0.253 4.781 4.527 0.000 0.000 0.336 232 F C 0.362 176.329 175.800 0.278 0.000 1.114 232 F CA -0.787 57.231 58.000 0.030 0.000 0.987 232 F CB 1.246 40.214 39.000 -0.054 0.000 1.130 232 F HN 0.309 nan 8.300 nan 0.000 0.458 233 D N 1.505 122.183 120.400 0.463 0.000 2.341 233 D HA -0.045 4.595 4.640 0.001 0.000 0.233 233 D C 1.121 177.531 176.300 0.183 0.000 1.270 233 D CA 0.495 54.644 54.000 0.248 0.000 0.883 233 D CB 0.565 41.456 40.800 0.152 0.000 1.207 233 D HN 0.553 nan 8.370 nan 0.000 0.471 234 E N -0.268 119.998 120.200 0.110 0.000 2.333 234 E HA -0.159 4.191 4.350 0.001 0.000 0.198 234 E C 1.215 177.860 176.600 0.075 0.000 1.007 234 E CA 0.998 57.449 56.400 0.085 0.000 0.845 234 E CB 0.021 29.760 29.700 0.064 0.000 0.766 234 E HN 0.283 nan 8.360 nan 0.000 0.507 235 Q N -1.266 118.584 119.800 0.083 0.000 2.319 235 Q HA 0.275 4.615 4.340 0.001 0.000 0.202 235 Q C 0.990 177.047 176.000 0.094 0.000 0.896 235 Q CA 0.580 56.426 55.803 0.072 0.000 0.942 235 Q CB 1.000 29.774 28.738 0.059 0.000 1.083 235 Q HN 0.285 nan 8.270 nan 0.000 0.510 236 G N 0.440 109.324 108.800 0.140 0.000 2.159 236 G HA2 -0.323 3.637 3.960 0.001 0.000 0.256 236 G HA3 -0.323 3.637 3.960 0.001 0.000 0.256 236 G C 0.126 175.217 174.900 0.318 0.000 0.977 236 G CA 0.168 45.380 45.100 0.188 0.000 0.652 236 G HN 0.223 nan 8.290 nan 0.000 0.531 237 K N 0.780 121.323 120.400 0.237 0.000 2.234 237 K HA 0.376 4.697 4.320 0.001 0.000 0.282 237 K C 0.579 177.245 176.600 0.110 0.000 1.039 237 K CA -0.614 55.779 56.287 0.177 0.000 0.928 237 K CB 0.484 33.050 32.500 0.109 0.000 1.039 237 K HN 0.197 nan 8.250 nan 0.000 0.470 238 K N 3.888 124.216 120.400 -0.120 0.000 2.412 238 K HA 0.009 4.329 4.320 0.001 0.000 0.281 238 K C -0.977 175.521 176.600 -0.169 0.000 1.027 238 K CA 0.055 56.031 56.287 -0.519 0.000 0.989 238 K CB 0.321 32.465 32.500 -0.594 0.000 0.935 238 K HN 0.457 nan 8.250 nan 0.000 0.475 239 Y N 0.444 120.572 120.300 -0.286 0.000 2.609 239 Y HA 0.492 5.043 4.550 0.001 0.000 0.342 239 Y C -1.025 174.796 175.900 -0.133 0.000 1.058 239 Y CA -1.631 56.380 58.100 -0.147 0.000 1.055 239 Y CB 0.782 39.197 38.460 -0.074 0.000 1.292 239 Y HN 0.273 nan 8.280 nan 0.000 0.476 240 K N 1.826 122.254 120.400 0.047 0.000 2.258 240 K HA 0.662 4.982 4.320 0.001 0.000 0.284 240 K C -0.776 175.885 176.600 0.102 0.000 1.051 240 K CA -0.252 56.031 56.287 -0.007 0.000 0.923 240 K CB 0.780 33.297 32.500 0.028 0.000 1.046 240 K HN 0.874 nan 8.250 nan 0.000 0.474 241 A N 3.764 126.583 122.820 -0.003 0.000 2.310 241 A HA 0.227 4.548 4.320 0.001 0.000 0.300 241 A C 0.813 178.473 177.584 0.126 0.000 1.269 241 A CA -0.134 51.973 52.037 0.117 0.000 0.909 241 A CB -0.214 18.799 19.000 0.021 0.000 1.144 241 A HN 0.922 nan 8.150 nan 0.000 0.540 242 T N -0.157 114.497 114.554 0.166 0.000 3.037 242 T HA 0.439 4.789 4.350 0.001 0.000 0.251 242 T C 0.865 175.655 174.700 0.151 0.000 1.079 242 T CA 0.636 62.815 62.100 0.132 0.000 1.067 242 T CB -0.091 68.844 68.868 0.112 0.000 0.948 242 T HN 0.957 nan 8.240 nan 0.000 0.496 243 A N 2.961 125.890 122.820 0.181 0.000 2.304 243 A HA 0.497 4.818 4.320 0.001 0.000 0.271 243 A C 0.163 177.869 177.584 0.204 0.000 1.091 243 A CA -0.745 51.402 52.037 0.183 0.000 0.812 243 A CB 0.198 19.287 19.000 0.149 0.000 1.056 243 A HN 0.588 nan 8.150 nan 0.000 0.489 244 D N 0.726 121.254 120.400 0.213 0.000 2.390 244 D HA 0.106 4.746 4.640 0.001 0.000 0.249 244 D C -0.697 175.676 176.300 0.122 0.000 1.144 244 D CA 0.002 54.095 54.000 0.156 0.000 0.880 244 D CB 1.170 42.025 40.800 0.092 0.000 1.182 244 D HN 0.513 nan 8.370 nan 0.000 0.451 245 D N -0.180 120.277 120.400 0.095 0.000 2.433 245 D HA 0.066 4.706 4.640 0.001 0.000 0.211 245 D C -0.292 175.946 176.300 -0.103 0.000 1.114 245 D CA -0.318 53.768 54.000 0.144 0.000 0.837 245 D CB 0.404 41.341 40.800 0.228 0.000 0.984 245 D HN 0.169 nan 8.370 nan 0.000 0.505 246 S N -0.833 114.750 115.700 -0.194 0.000 2.564 246 S HA 0.864 5.335 4.470 0.001 0.000 0.274 246 S C -1.253 173.044 174.600 -0.505 0.000 1.124 246 S CA -0.550 57.421 58.200 -0.382 0.000 0.869 246 S CB 2.190 65.217 63.200 -0.288 0.000 1.105 246 S HN 0.455 nan 8.310 nan 0.000 0.472 247 A N 1.371 123.716 122.820 -0.793 0.000 2.605 247 A HA 0.760 5.080 4.320 0.001 0.000 0.294 247 A C -2.457 174.556 177.584 -0.952 0.000 1.062 247 A CA -0.722 50.874 52.037 -0.734 0.000 0.682 247 A CB 1.014 19.751 19.000 -0.440 0.000 1.278 247 A HN 0.743 nan 8.150 nan 0.000 0.410 248 Y N 0.274 120.425 120.300 -0.248 0.000 2.333 248 Y HA 0.637 5.187 4.550 0.001 0.000 0.324 248 Y C 0.345 176.077 175.900 -0.281 0.000 1.033 248 Y CA -0.332 57.648 58.100 -0.200 0.000 1.224 248 Y CB 1.963 40.384 38.460 -0.064 0.000 1.120 248 Y HN 0.997 nan 8.280 nan 0.000 0.457 249 A N 1.968 124.559 122.820 -0.382 0.000 2.342 249 A HA 0.882 5.202 4.320 0.001 0.000 0.323 249 A C -0.494 176.683 177.584 -0.679 0.000 1.125 249 A CA -0.696 51.005 52.037 -0.560 0.000 0.785 249 A CB 0.981 19.616 19.000 -0.609 0.000 1.221 249 A HN 0.536 nan 8.150 nan 0.000 0.463 250 T N 2.020 116.221 114.554 -0.589 0.000 2.829 250 T HA 0.672 5.023 4.350 0.001 0.000 0.280 250 T C -1.037 173.436 174.700 -0.379 0.000 0.999 250 T CA 0.098 62.081 62.100 -0.194 0.000 0.983 250 T CB 0.403 69.329 68.868 0.096 0.000 0.968 250 T HN 0.352 nan 8.240 nan 0.000 0.446 251 F N 1.214 121.289 119.950 0.207 0.000 2.532 251 F HA 0.477 5.004 4.527 0.001 0.000 0.321 251 F C 0.506 176.466 175.800 0.267 0.000 1.089 251 F CA -1.094 57.059 58.000 0.257 0.000 0.926 251 F CB 1.856 40.932 39.000 0.126 0.000 1.168 251 F HN 0.325 nan 8.300 nan 0.000 0.459 252 Q N 3.005 123.068 119.800 0.439 0.000 2.278 252 Q HA 0.632 4.973 4.340 0.001 0.000 0.257 252 Q C -1.150 174.955 176.000 0.175 0.000 0.928 252 Q CA -0.505 55.410 55.803 0.187 0.000 0.932 252 Q CB 1.633 30.371 28.738 0.000 0.000 1.221 252 Q HN 0.568 nan 8.270 nan 0.000 0.434 253 L N 1.622 122.914 121.223 0.114 0.000 2.334 253 L HA 0.433 4.773 4.340 0.001 0.000 0.273 253 L C 0.170 177.073 176.870 0.054 0.000 1.013 253 L CA -0.859 54.036 54.840 0.091 0.000 0.816 253 L CB 1.563 43.675 42.059 0.087 0.000 1.278 253 L HN 0.595 nan 8.230 nan 0.000 0.431 254 E N 1.095 121.325 120.200 0.050 0.000 2.480 254 E HA 0.153 4.503 4.350 0.001 0.000 0.258 254 E C 0.875 177.491 176.600 0.026 0.000 0.984 254 E CA 1.127 57.546 56.400 0.032 0.000 0.930 254 E CB 0.344 30.063 29.700 0.032 0.000 0.936 254 E HN 0.823 nan 8.360 nan 0.000 0.466 255 G N 2.776 111.584 108.800 0.013 0.000 2.184 255 G HA2 -0.229 3.731 3.960 0.001 0.000 0.206 255 G HA3 -0.229 3.731 3.960 0.001 0.000 0.206 255 G C 0.779 175.678 174.900 -0.002 0.000 0.995 255 G CA 0.037 45.142 45.100 0.008 0.000 0.651 255 G HN 1.439 nan 8.290 nan 0.000 0.511 256 G N -1.570 107.227 108.800 -0.004 0.000 2.147 256 G HA2 0.031 3.992 3.960 0.001 0.000 0.244 256 G HA3 0.031 3.992 3.960 0.001 0.000 0.244 256 G C 0.334 175.225 174.900 -0.016 0.000 1.005 256 G CA 0.619 45.709 45.100 -0.016 0.000 0.713 256 G HN 1.615 nan 8.290 nan 0.000 0.515 257 V N 1.211 121.122 119.914 -0.005 0.000 2.498 257 V HA 0.554 4.675 4.120 0.001 0.000 0.279 257 V C 0.950 177.047 176.094 0.006 0.000 1.048 257 V CA -0.383 61.907 62.300 -0.018 0.000 0.967 257 V CB 1.579 33.386 31.823 -0.026 0.000 0.988 257 V HN 0.314 nan 8.190 nan 0.000 0.473 258 I N 3.797 124.368 120.570 0.001 0.000 2.412 258 I HA 0.728 4.898 4.170 0.001 0.000 0.296 258 I C 0.216 176.362 176.117 0.048 0.000 0.987 258 I CA -0.406 60.929 61.300 0.058 0.000 1.180 258 I CB 1.791 39.824 38.000 0.055 0.000 1.340 258 I HN 0.689 nan 8.210 nan 0.000 0.455 259 A N 4.636 127.542 122.820 0.143 0.000 2.356 259 A HA 0.634 4.954 4.320 0.001 0.000 0.310 259 A C -1.416 176.338 177.584 0.284 0.000 1.075 259 A CA -0.425 51.690 52.037 0.130 0.000 0.746 259 A CB 1.025 20.055 19.000 0.051 0.000 1.221 259 A HN 0.793 nan 8.150 nan 0.000 0.443 260 H N 1.320 120.437 119.070 0.079 0.000 2.495 260 H HA 0.747 5.304 4.556 0.001 0.000 0.348 260 H C -1.223 174.089 175.328 -0.026 0.000 1.113 260 H CA -0.578 55.499 56.048 0.048 0.000 1.195 260 H CB 0.972 30.728 29.762 -0.010 0.000 1.521 260 H HN 0.515 nan 8.280 nan 0.000 0.509 261 I N 4.922 125.103 120.570 -0.650 0.000 2.439 261 I HA 0.228 4.398 4.170 0.001 0.000 0.285 261 I C -0.369 175.370 176.117 -0.629 0.000 1.021 261 I CA -0.901 60.044 61.300 -0.592 0.000 1.091 261 I CB 1.422 39.043 38.000 -0.631 0.000 1.242 261 I HN 0.609 nan 8.210 nan 0.000 0.439 265 W N 2.484 123.613 121.300 -0.286 0.000 3.256 265 W HA 0.305 4.966 4.660 0.001 0.000 0.269 265 W C 0.785 176.937 176.519 -0.613 0.000 1.310 265 W CA -0.332 56.748 57.345 -0.441 0.000 1.673 265 W CB 0.590 29.888 29.460 -0.270 0.000 1.115 265 W HN 0.430 nan 8.180 nan 0.000 0.686 266 V N 0.491 120.179 119.914 -0.378 0.000 2.727 266 V HA 0.246 4.367 4.120 0.001 0.000 0.336 266 V C 0.004 175.977 176.094 -0.202 0.000 1.228 266 V CA -0.173 61.700 62.300 -0.711 0.000 1.270 266 V CB 0.217 31.700 31.823 -0.567 0.000 1.486 266 V HN -0.121 nan 8.190 nan 0.000 0.638 267 T N 0.982 115.557 114.554 0.035 0.000 2.909 267 T HA 0.609 4.959 4.350 0.001 0.000 0.299 267 T C -0.608 174.278 174.700 0.310 0.000 1.073 267 T CA -0.483 61.741 62.100 0.207 0.000 0.999 267 T CB 2.065 70.961 68.868 0.047 0.000 1.098 267 T HN 0.455 nan 8.240 nan 0.000 0.477 268 R N 1.899 122.555 120.500 0.261 0.000 2.540 268 R HA 0.633 4.974 4.340 0.001 0.000 0.287 268 R C -0.801 175.591 176.300 0.154 0.000 0.980 268 R CA -0.777 55.439 56.100 0.195 0.000 0.966 268 R CB 1.684 32.043 30.300 0.099 0.000 1.106 268 R HN 0.400 nan 8.270 nan 0.000 0.480 269 V N 3.983 123.984 119.914 0.144 0.000 2.372 269 V HA 0.063 4.183 4.120 0.001 0.000 0.261 269 V C -0.770 175.419 176.094 0.158 0.000 1.055 269 V CA -0.079 62.294 62.300 0.121 0.000 0.930 269 V CB 0.211 32.082 31.823 0.081 0.000 1.031 269 V HN 0.640 nan 8.190 nan 0.000 0.479 270 Y N 7.599 127.907 120.300 0.014 0.000 2.562 270 Y HA 0.585 5.135 4.550 0.001 0.000 0.363 270 Y C 0.287 176.189 175.900 0.003 0.000 0.991 270 Y CA -0.790 57.314 58.100 0.007 0.000 1.121 270 Y CB 0.058 38.530 38.460 0.020 0.000 1.159 270 Y HN 0.779 nan 8.280 nan 0.000 0.651 271 R N -0.607 119.799 120.500 -0.157 0.000 2.764 271 R HA 0.318 4.658 4.340 0.001 0.000 0.276 271 R C -0.727 175.485 176.300 -0.148 0.000 1.021 271 R CA -0.739 55.279 56.100 -0.136 0.000 0.870 271 R CB 0.362 30.640 30.300 -0.037 0.000 1.293 271 R HN 0.048 nan 8.270 nan 0.000 0.469 272 D N -0.382 119.948 120.400 -0.117 0.000 2.264 272 D HA 0.040 4.680 4.640 0.001 0.000 0.208 272 D C -0.365 175.899 176.300 -0.060 0.000 0.966 272 D CA 1.612 55.552 54.000 -0.101 0.000 0.864 272 D CB 0.105 40.862 40.800 -0.072 0.000 0.933 272 D HN 0.328 nan 8.370 nan 0.000 0.499 273 D N -2.213 118.164 120.400 -0.038 0.000 2.713 273 D HA 0.158 4.798 4.640 0.001 0.000 0.306 273 D C 0.822 177.117 176.300 -0.007 0.000 1.299 273 D CA -0.593 53.398 54.000 -0.015 0.000 0.823 273 D CB 0.618 41.428 40.800 0.016 0.000 1.353 273 D HN -0.238 nan 8.370 nan 0.000 0.447 274 L N 0.094 121.316 121.223 -0.001 0.000 2.275 274 L HA 0.096 4.436 4.340 0.001 0.000 0.215 274 L C 1.057 177.943 176.870 0.025 0.000 1.119 274 L CA 0.798 55.630 54.840 -0.013 0.000 0.790 274 L CB 0.079 42.102 42.059 -0.059 0.000 0.919 274 L HN 0.022 nan 8.230 nan 0.000 0.443 275 V N -1.554 118.434 119.914 0.124 0.000 3.049 275 V HA 0.529 4.650 4.120 0.001 0.000 0.309 275 V C -1.000 175.143 176.094 0.083 0.000 1.148 275 V CA -0.274 62.133 62.300 0.179 0.000 0.990 275 V CB 2.662 34.770 31.823 0.476 0.000 1.039 275 V HN -0.050 nan 8.190 nan 0.000 0.430 276 T N 5.014 119.534 114.554 -0.057 0.000 2.952 276 T HA 0.684 5.034 4.350 0.001 0.000 0.305 276 T C -1.788 172.747 174.700 -0.276 0.000 1.064 276 T CA -0.102 61.961 62.100 -0.062 0.000 1.008 276 T CB 0.944 69.774 68.868 -0.064 0.000 1.078 276 T HN 0.424 nan 8.240 nan 0.000 0.459 277 F N 2.732 122.691 119.950 0.015 0.000 2.507 277 F HA 0.491 5.019 4.527 0.001 0.000 0.328 277 F C 0.196 176.011 175.800 0.026 0.000 1.136 277 F CA -0.743 57.258 58.000 0.002 0.000 0.930 277 F CB 2.147 41.181 39.000 0.058 0.000 1.166 277 F HN 0.347 nan 8.300 nan 0.000 0.436 278 Q N 3.553 123.435 119.800 0.137 0.000 2.307 278 Q HA 0.677 5.018 4.340 0.001 0.000 0.262 278 Q C -1.752 174.299 176.000 0.086 0.000 0.961 278 Q CA -0.669 55.208 55.803 0.125 0.000 0.882 278 Q CB 1.833 30.606 28.738 0.058 0.000 1.264 278 Q HN 0.537 nan 8.270 nan 0.000 0.446 279 V N 4.273 124.265 119.914 0.130 0.000 2.384 279 V HA 0.331 4.451 4.120 0.001 0.000 0.287 279 V C -0.617 175.510 176.094 0.055 0.000 1.020 279 V CA -0.772 61.482 62.300 -0.077 0.000 0.850 279 V CB 1.615 33.280 31.823 -0.263 0.000 0.987 279 V HN 0.795 nan 8.190 nan 0.000 0.436 280 D N 3.720 124.107 120.400 -0.021 0.000 2.256 280 D HA 0.633 5.273 4.640 0.001 0.000 0.240 280 D C 0.198 176.500 176.300 0.004 0.000 1.062 280 D CA 0.205 54.251 54.000 0.076 0.000 0.832 280 D CB 2.550 43.386 40.800 0.060 0.000 1.135 280 D HN 0.742 nan 8.370 nan 0.000 0.484 281 G N 0.176 109.048 108.800 0.120 0.000 2.658 281 G HA2 0.262 4.222 3.960 0.001 0.000 0.292 281 G HA3 0.262 4.222 3.960 0.001 0.000 0.292 281 G C 0.801 175.746 174.900 0.075 0.000 1.320 281 G CA -0.307 44.849 45.100 0.093 0.000 0.933 281 G HN 0.272 nan 8.290 nan 0.000 0.476 282 T N -0.587 113.981 114.554 0.023 0.000 2.897 282 T HA -0.089 4.262 4.350 0.001 0.000 0.271 282 T C 1.370 176.173 174.700 0.172 0.000 1.084 282 T CA 1.559 63.683 62.100 0.040 0.000 1.123 282 T CB -0.289 68.550 68.868 -0.049 0.000 0.865 282 T HN 0.582 nan 8.240 nan 0.000 0.496 283 H N -1.528 117.481 119.070 -0.102 0.000 2.986 283 H HA 0.446 5.003 4.556 0.001 0.000 0.267 283 H C 0.860 175.956 175.328 -0.387 0.000 1.072 283 H CA -0.379 55.541 56.048 -0.214 0.000 1.202 283 H CB 1.128 30.751 29.762 -0.231 0.000 1.535 283 H HN 0.368 nan 8.280 nan 0.000 0.522 284 G N -0.188 108.470 108.800 -0.237 0.000 2.368 284 G HA2 0.336 4.296 3.960 0.001 0.000 0.293 284 G HA3 0.336 4.296 3.960 0.001 0.000 0.293 284 G C -1.445 173.528 174.900 0.122 0.000 1.467 284 G CA -0.558 44.327 45.100 -0.359 0.000 0.804 284 G HN 0.059 nan 8.290 nan 0.000 0.535 285 S N -1.449 114.462 115.700 0.352 0.000 2.667 285 S HA 0.981 5.452 4.470 0.001 0.000 0.292 285 S C -0.257 174.853 174.600 0.850 0.000 1.126 285 S CA 0.004 58.574 58.200 0.616 0.000 0.881 285 S CB 1.857 65.341 63.200 0.474 0.000 1.132 285 S HN 1.969 nan 8.310 nan 0.000 0.492 286 A N 0.691 124.017 122.820 0.844 0.000 2.572 286 A HA 0.809 5.130 4.320 0.001 0.000 0.295 286 A C -1.779 176.077 177.584 0.453 0.000 1.072 286 A CA -0.609 51.834 52.037 0.676 0.000 0.691 286 A CB 1.342 20.672 19.000 0.550 0.000 1.291 286 A HN 0.616 nan 8.150 nan 0.000 0.404 287 V N 0.761 120.845 119.914 0.283 0.000 2.525 287 V HA 0.741 4.861 4.120 0.001 0.000 0.299 287 V C 0.158 176.333 176.094 0.135 0.000 1.034 287 V CA -0.125 62.246 62.300 0.118 0.000 0.863 287 V CB 1.349 33.103 31.823 -0.115 0.000 0.999 287 V HN 1.532 nan 8.190 nan 0.000 0.423 288 A N 3.373 126.297 122.820 0.174 0.000 2.350 288 A HA 0.968 5.289 4.320 0.001 0.000 0.324 288 A C 0.331 178.006 177.584 0.151 0.000 1.118 288 A CA 0.086 52.221 52.037 0.162 0.000 0.783 288 A CB 1.706 20.821 19.000 0.192 0.000 1.236 288 A HN 1.009 nan 8.150 nan 0.000 0.457 289 G N -0.270 108.591 108.800 0.102 0.000 2.782 289 G HA2 0.460 4.421 3.960 0.001 0.000 0.201 289 G HA3 0.460 4.421 3.960 0.001 0.000 0.201 289 G C 0.506 175.467 174.900 0.103 0.000 1.374 289 G CA -0.426 44.730 45.100 0.093 0.000 1.039 289 G HN 0.465 nan 8.290 nan 0.000 0.576 290 L N -0.242 121.031 121.223 0.083 0.000 2.027 290 L HA 0.039 4.379 4.340 0.001 0.000 0.206 290 L C 2.923 179.798 176.870 0.008 0.000 1.074 290 L CA 2.074 56.955 54.840 0.069 0.000 0.745 290 L CB -0.550 41.553 42.059 0.073 0.000 0.898 290 L HN 0.425 nan 8.230 nan 0.000 0.433 291 S N -2.385 113.312 115.700 -0.005 0.000 2.527 291 S HA 0.148 4.618 4.470 0.001 0.000 0.227 291 S C 0.357 174.927 174.600 -0.051 0.000 1.059 291 S CA -0.258 57.911 58.200 -0.052 0.000 0.919 291 S CB 0.602 63.792 63.200 -0.016 0.000 0.805 291 S HN 0.289 nan 8.310 nan 0.000 0.500 292 D N -0.382 120.017 120.400 -0.002 0.000 2.414 292 D HA 0.641 5.281 4.640 0.001 0.000 0.241 292 D C -0.740 175.587 176.300 0.044 0.000 1.008 292 D CA -0.333 53.680 54.000 0.022 0.000 1.001 292 D CB 2.264 43.082 40.800 0.030 0.000 1.277 292 D HN 0.198 nan 8.370 nan 0.000 0.538 296 Q N 3.776 123.622 119.800 0.076 0.000 2.414 296 Q HA 0.740 5.081 4.340 0.001 0.000 0.256 296 Q C -0.836 175.142 176.000 -0.036 0.000 0.974 296 Q CA -0.547 55.078 55.803 -0.295 0.000 0.723 296 Q CB 1.943 29.937 28.738 -1.240 0.000 1.281 296 Q HN 1.070 nan 8.270 nan 0.000 0.470 297 A N 2.907 125.771 122.820 0.073 0.000 2.466 297 A HA 0.080 4.400 4.320 0.001 0.000 0.238 297 A C 1.131 178.625 177.584 -0.149 0.000 1.074 297 A CA 0.189 52.168 52.037 -0.096 0.000 0.774 297 A CB 0.323 19.318 19.000 -0.008 0.000 1.015 297 A HN 1.050 nan 8.150 nan 0.000 0.498 298 R N 0.553 120.945 120.500 -0.181 0.000 2.139 298 R HA -0.238 4.102 4.340 0.001 0.000 0.243 298 R C 1.133 177.367 176.300 -0.111 0.000 1.145 298 R CA 2.067 58.087 56.100 -0.134 0.000 0.976 298 R CB -0.392 29.833 30.300 -0.126 0.000 0.866 298 R HN 0.718 nan 8.270 nan 0.000 0.449 299 Q N 0.585 120.319 119.800 -0.109 0.000 2.364 299 Q HA 0.062 4.402 4.340 0.001 0.000 0.207 299 Q C 1.829 177.791 176.000 -0.063 0.000 0.970 299 Q CA 1.632 57.387 55.803 -0.079 0.000 0.888 299 Q CB 0.149 28.845 28.738 -0.070 0.000 0.951 299 Q HN 0.589 nan 8.270 nan 0.000 0.469 300 A N -0.420 122.352 122.820 -0.078 0.000 2.220 300 A HA 0.104 4.424 4.320 0.001 0.000 0.211 300 A C 0.657 178.188 177.584 -0.088 0.000 1.176 300 A CA -0.071 51.921 52.037 -0.076 0.000 0.834 300 A CB 0.068 19.014 19.000 -0.091 0.000 0.868 300 A HN 0.174 nan 8.150 nan 0.000 0.488 301 T N 3.856 118.351 114.554 -0.099 0.000 2.871 301 T HA 0.326 4.677 4.350 0.001 0.000 0.296 301 T C -1.855 172.830 174.700 -0.024 0.000 0.998 301 T CA -0.462 61.593 62.100 -0.074 0.000 1.162 301 T CB 0.687 69.515 68.868 -0.066 0.000 0.947 301 T HN 0.356 nan 8.240 nan 0.000 0.536 302 P HA 0.327 nan 4.420 nan 0.000 0.302 302 P C -0.407 176.894 177.300 0.001 0.000 1.307 302 P CA -0.799 62.300 63.100 -0.002 0.000 0.754 302 P CB 0.899 32.579 31.700 -0.032 0.000 1.298 303 R N 0.665 121.152 120.500 -0.021 0.000 2.724 303 R HA 0.309 4.650 4.340 0.001 0.000 0.284 303 R C -1.987 174.313 176.300 0.000 0.000 1.481 303 R CA -1.413 54.686 56.100 -0.001 0.000 1.652 303 R CB -0.084 30.212 30.300 -0.005 0.000 1.175 303 R HN 0.432 nan 8.270 nan 0.000 0.613 304 P HA 0.062 nan 4.420 nan 0.000 0.274 304 P C -0.683 176.671 177.300 0.090 0.000 1.231 304 P CA -0.347 62.795 63.100 0.069 0.000 0.790 304 P CB 1.663 33.505 31.700 0.236 0.000 0.951 305 V N 3.797 123.761 119.914 0.083 0.000 2.435 305 V HA 0.250 4.370 4.120 0.001 0.000 0.290 305 V C -0.485 175.700 176.094 0.152 0.000 1.030 305 V CA -1.044 61.322 62.300 0.110 0.000 0.881 305 V CB 1.131 32.995 31.823 0.069 0.000 0.983 305 V HN 0.636 nan 8.190 nan 0.000 0.445 306 W N 7.720 129.037 121.300 0.027 0.000 2.565 306 W HA 0.249 4.909 4.660 -0.000 0.000 0.325 306 W C -0.365 176.168 176.519 0.024 0.000 1.408 306 W CA 0.090 57.450 57.345 0.026 0.000 1.350 306 W CB 0.575 30.042 29.460 0.012 0.000 1.426 306 W HN 0.831 nan 8.180 nan 0.000 0.538 307 N N 6.072 124.610 118.700 -0.270 0.000 2.699 307 N HA 0.286 5.026 4.740 0.001 0.000 0.271 307 N C -2.533 172.815 175.510 -0.270 0.000 1.216 307 N CA -0.825 52.124 53.050 -0.168 0.000 0.844 307 N CB 0.943 39.403 38.487 -0.045 0.000 1.462 307 N HN 0.091 nan 8.380 nan 0.000 0.555 313 L N 2.523 123.745 121.223 -0.002 0.000 2.334 313 L HA 0.651 4.991 4.340 0.001 0.000 0.273 313 L C -1.072 175.792 176.870 -0.011 0.000 1.013 313 L CA -0.535 54.306 54.840 0.002 0.000 0.816 313 L CB 1.613 43.675 42.059 0.005 0.000 1.278 313 L HN 0.804 nan 8.230 nan 0.000 0.431 314 H N 1.551 120.504 119.070 -0.196 0.000 2.573 314 H HA 0.415 4.971 4.556 0.001 0.000 0.351 314 H C -1.427 173.684 175.328 -0.361 0.000 1.163 314 H CA -0.551 55.282 56.048 -0.359 0.000 1.205 314 H CB 1.672 31.037 29.762 -0.662 0.000 1.605 314 H HN 0.682 nan 8.280 nan 0.000 0.525 315 D N 3.853 123.745 120.400 -0.848 0.000 2.467 315 D HA 0.083 4.723 4.640 0.001 0.000 0.220 315 D C 0.077 176.089 176.300 -0.481 0.000 1.103 315 D CA -0.158 53.573 54.000 -0.449 0.000 0.886 315 D CB -0.189 40.484 40.800 -0.213 0.000 1.025 315 D HN 0.490 nan 8.370 nan 0.000 0.514 316 F N 1.718 121.654 119.950 -0.023 0.000 2.186 316 F HA -0.135 4.392 4.527 0.000 0.000 0.299 316 F C 1.447 177.349 175.800 0.170 0.000 1.090 316 F CA 0.687 58.764 58.000 0.129 0.000 1.307 316 F CB -0.300 38.725 39.000 0.041 0.000 1.019 316 F HN 0.446 nan 8.300 nan 0.000 0.489 317 Y N 0.022 120.507 120.300 0.308 0.000 2.315 317 Y HA -0.161 4.389 4.550 0.001 0.000 0.288 317 Y C 2.539 178.600 175.900 0.268 0.000 1.154 317 Y CA 1.011 59.212 58.100 0.168 0.000 1.229 317 Y CB -1.391 37.090 38.460 0.034 0.000 0.980 317 Y HN 0.035 nan 8.280 nan 0.000 0.540 318 G N -0.634 108.357 108.800 0.317 0.000 2.598 318 G HA2 -0.144 3.816 3.960 0.001 0.000 0.215 318 G HA3 -0.144 3.816 3.960 0.001 0.000 0.215 318 G C 0.893 175.932 174.900 0.231 0.000 1.131 318 G CA 0.717 45.937 45.100 0.199 0.000 0.785 318 G HN 0.301 nan 8.290 nan 0.000 0.539 319 D N -0.413 120.202 120.400 0.359 0.000 2.319 319 D HA 0.097 4.738 4.640 0.001 0.000 0.230 319 D C -0.252 176.088 176.300 0.066 0.000 1.094 319 D CA 0.058 54.183 54.000 0.208 0.000 0.856 319 D CB 0.218 41.128 40.800 0.183 0.000 0.915 319 D HN 0.348 nan 8.370 nan 0.000 0.517 320 W N 0.747 122.126 121.300 0.132 0.000 2.799 320 W HA 0.431 5.091 4.660 0.000 0.000 0.349 320 W C 0.132 176.714 176.519 0.104 0.000 1.100 320 W CA -0.915 56.509 57.345 0.131 0.000 1.174 320 W CB 1.095 30.645 29.460 0.149 0.000 1.427 320 W HN -0.374 nan 8.180 nan 0.000 0.547 321 Q N 2.342 122.325 119.800 0.305 0.000 2.353 321 Q HA 0.349 4.689 4.340 0.001 0.000 0.268 321 Q C -0.723 175.385 176.000 0.182 0.000 1.045 321 Q CA -0.908 55.008 55.803 0.189 0.000 0.811 321 Q CB 1.817 30.628 28.738 0.123 0.000 1.305 321 Q HN 0.438 nan 8.270 nan 0.000 0.447 322 K N 4.236 124.719 120.400 0.137 0.000 2.276 322 K HA 0.279 4.599 4.320 0.001 0.000 0.283 322 K C -0.718 175.934 176.600 0.086 0.000 1.044 322 K CA -0.388 55.966 56.287 0.111 0.000 0.944 322 K CB 0.574 33.127 32.500 0.088 0.000 1.012 322 K HN 0.666 nan 8.250 nan 0.000 0.472 323 L N 6.553 127.823 121.223 0.079 0.000 2.426 323 L HA 0.199 4.539 4.340 0.001 0.000 0.271 323 L C -1.603 175.308 176.870 0.069 0.000 1.169 323 L CA -1.769 53.113 54.840 0.070 0.000 0.836 323 L CB 0.466 42.573 42.059 0.079 0.000 1.112 323 L HN 0.668 nan 8.230 nan 0.000 0.465 324 P HA 0.065 nan 4.420 nan 0.000 0.274 324 P C -1.304 176.026 177.300 0.050 0.000 1.231 324 P CA -0.458 62.669 63.100 0.045 0.000 0.790 324 P CB 0.681 32.396 31.700 0.026 0.000 0.951 325 D N 2.378 122.814 120.400 0.060 0.000 2.411 325 D HA 0.098 4.738 4.640 0.001 0.000 0.225 325 D C 0.619 176.902 176.300 -0.029 0.000 1.156 325 D CA -0.066 53.978 54.000 0.073 0.000 0.874 325 D CB -0.039 40.834 40.800 0.121 0.000 1.034 325 D HN 0.190 nan 8.370 nan 0.000 0.502 326 N N 0.531 119.173 118.700 -0.097 0.000 2.336 326 N HA 0.024 4.764 4.740 0.001 0.000 0.189 326 N C 0.259 175.657 175.510 -0.188 0.000 1.113 326 N CA 0.170 53.140 53.050 -0.133 0.000 0.858 326 N CB 0.814 39.205 38.487 -0.160 0.000 0.970 326 N HN 0.355 nan 8.380 nan 0.000 0.471 327 V N -3.953 115.786 119.914 -0.292 0.000 3.130 327 V HA 0.586 4.707 4.120 0.001 0.000 0.310 327 V C 0.045 175.875 176.094 -0.440 0.000 1.158 327 V CA -1.035 61.047 62.300 -0.363 0.000 1.029 327 V CB 1.782 33.334 31.823 -0.452 0.000 1.057 327 V HN -0.220 nan 8.190 nan 0.000 0.436 328 S N 1.304 116.822 115.700 -0.303 0.000 2.523 328 S HA 0.605 5.075 4.470 0.001 0.000 0.275 328 S C -1.062 173.375 174.600 -0.272 0.000 1.281 328 S CA -0.006 58.067 58.200 -0.212 0.000 1.050 328 S CB -0.045 63.104 63.200 -0.085 0.000 0.937 328 S HN 0.605 nan 8.310 nan 0.000 0.492 329 Y N 2.298 122.614 120.300 0.027 0.000 2.385 329 Y HA 0.260 4.810 4.550 0.001 0.000 0.341 329 Y C 0.752 176.683 175.900 0.052 0.000 0.965 329 Y CA -0.943 57.184 58.100 0.045 0.000 1.180 329 Y CB 0.517 39.007 38.460 0.050 0.000 1.139 329 Y HN 0.552 nan 8.280 nan 0.000 0.502 330 D N 1.778 122.295 120.400 0.195 0.000 2.384 330 D HA -0.091 4.550 4.640 0.001 0.000 0.244 330 D C 0.066 176.453 176.300 0.145 0.000 1.251 330 D CA -0.053 54.028 54.000 0.133 0.000 0.961 330 D CB 0.672 41.529 40.800 0.095 0.000 1.116 330 D HN 0.544 nan 8.370 nan 0.000 0.484 331 N N -0.097 118.669 118.700 0.110 0.000 2.468 331 N HA -0.018 4.722 4.740 0.001 0.000 0.265 331 N C 1.062 176.622 175.510 0.083 0.000 1.199 331 N CA 0.251 53.373 53.050 0.121 0.000 0.928 331 N CB 1.073 39.633 38.487 0.122 0.000 1.059 331 N HN 0.481 nan 8.380 nan 0.000 0.467 332 G N 3.486 112.319 108.800 0.055 0.000 2.485 332 G HA2 -0.243 3.717 3.960 0.001 0.000 0.221 332 G HA3 -0.243 3.717 3.960 0.001 0.000 0.221 332 G C 1.065 175.725 174.900 -0.401 0.000 1.115 332 G CA 0.609 45.627 45.100 -0.138 0.000 0.751 332 G HN 0.636 nan 8.290 nan 0.000 0.567 333 F N 0.448 120.345 119.950 -0.088 0.000 2.149 333 F HA 0.173 4.701 4.527 0.001 0.000 0.294 333 F C 2.562 178.429 175.800 0.111 0.000 1.095 333 F CA 1.320 59.296 58.000 -0.040 0.000 1.276 333 F CB -0.202 38.735 39.000 -0.105 0.000 1.023 333 F HN 0.006 nan 8.300 nan 0.000 0.480 334 K N 0.776 121.328 120.400 0.254 0.000 2.044 334 K HA -0.286 4.035 4.320 0.001 0.000 0.210 334 K C 2.129 178.793 176.600 0.106 0.000 1.049 334 K CA 2.012 58.403 56.287 0.172 0.000 0.927 334 K CB -0.279 32.264 32.500 0.073 0.000 0.713 334 K HN 0.298 nan 8.250 nan 0.000 0.443 335 E N 0.403 120.584 120.200 -0.032 0.000 2.058 335 E HA -0.287 4.064 4.350 0.001 0.000 0.194 335 E C 2.157 178.660 176.600 -0.162 0.000 0.997 335 E CA 1.570 57.911 56.400 -0.098 0.000 0.801 335 E CB -0.014 29.606 29.700 -0.134 0.000 0.746 335 E HN 0.368 nan 8.360 nan 0.000 0.450 336 Q N -0.841 118.709 119.800 -0.417 0.000 2.224 336 Q HA -0.160 4.180 4.340 0.001 0.000 0.203 336 Q C 1.691 177.683 176.000 -0.014 0.000 0.970 336 Q CA 1.220 56.865 55.803 -0.263 0.000 0.865 336 Q CB -0.118 28.366 28.738 -0.425 0.000 0.922 336 Q HN 0.428 nan 8.270 nan 0.000 0.445 337 W N 1.727 122.983 121.300 -0.074 0.000 2.354 337 W HA -0.126 4.534 4.660 0.001 0.000 0.315 337 W C 1.115 177.598 176.519 -0.059 0.000 1.206 337 W CA 0.662 57.935 57.345 -0.120 0.000 1.290 337 W CB -0.058 29.357 29.460 -0.074 0.000 1.152 337 W HN 0.148 nan 8.180 nan 0.000 0.489 341 I N 1.681 122.180 120.570 -0.118 0.000 2.179 341 I HA -0.234 3.937 4.170 0.001 0.000 0.242 341 I C 2.231 178.316 176.117 -0.054 0.000 1.088 341 I CA 1.621 62.875 61.300 -0.078 0.000 1.357 341 I CB -0.417 37.628 38.000 0.075 0.000 1.051 341 I HN 0.102 nan 8.210 nan 0.000 0.409 342 R N -0.502 119.990 120.500 -0.014 0.000 2.127 342 R HA -0.255 4.086 4.340 0.001 0.000 0.238 342 R C 2.326 178.611 176.300 -0.026 0.000 1.134 342 R CA 1.584 57.690 56.100 0.009 0.000 0.975 342 R CB -0.687 29.637 30.300 0.041 0.000 0.865 342 R HN 0.425 nan 8.270 nan 0.000 0.447 343 H N 0.557 119.487 119.070 -0.233 0.000 2.353 343 H HA -0.066 4.491 4.556 0.001 0.000 0.300 343 H C 1.826 176.891 175.328 -0.437 0.000 1.090 343 H CA 1.622 57.473 56.048 -0.328 0.000 1.327 343 H CB -0.089 29.348 29.762 -0.541 0.000 1.383 343 H HN -0.086 nan 8.280 nan 0.000 0.508 344 V N -0.532 118.983 119.914 -0.664 0.000 2.453 344 V HA -0.208 3.913 4.120 0.001 0.000 0.247 344 V C 1.585 177.279 176.094 -0.665 0.000 1.048 344 V CA 1.825 63.603 62.300 -0.871 0.000 1.049 344 V CB -0.522 30.691 31.823 -1.017 0.000 0.672 344 V HN 0.465 nan 8.190 nan 0.000 0.457 345 Y N 0.291 120.397 120.300 -0.322 0.000 2.458 345 Y HA 0.144 4.694 4.550 0.001 0.000 0.254 345 Y C 1.643 177.458 175.900 -0.142 0.000 1.120 345 Y CA 0.522 58.502 58.100 -0.200 0.000 1.282 345 Y CB 0.560 38.932 38.460 -0.147 0.000 1.109 345 Y HN 0.474 nan 8.280 nan 0.000 0.526 346 E N -1.637 118.552 120.200 -0.018 0.000 3.085 346 E HA 0.149 4.500 4.350 0.001 0.000 0.179 346 E C -0.827 175.748 176.600 -0.041 0.000 0.951 346 E CA -0.115 56.275 56.400 -0.017 0.000 1.326 346 E CB -0.351 29.357 29.700 0.013 0.000 1.043 346 E HN 0.026 nan 8.360 nan 0.000 0.457 347 D N 1.482 121.819 120.400 -0.106 0.000 2.704 347 D HA -0.212 4.429 4.640 0.001 0.000 0.232 347 D C -0.217 176.103 176.300 0.033 0.000 1.183 347 D CA 1.087 55.033 54.000 -0.091 0.000 0.647 347 D CB -0.717 40.034 40.800 -0.081 0.000 1.013 347 D HN 0.626 nan 8.370 nan 0.000 0.415 348 A N 0.581 123.449 122.820 0.079 0.000 2.407 348 A HA 0.487 4.807 4.320 0.001 0.000 0.248 348 A C -1.961 175.738 177.584 0.190 0.000 1.082 348 A CA -0.983 51.123 52.037 0.115 0.000 0.785 348 A CB 0.479 19.539 19.000 0.101 0.000 1.020 348 A HN 0.054 nan 8.150 nan 0.000 0.489 349 P HA 0.218 nan 4.420 nan 0.000 0.267 349 P C -1.176 176.138 177.300 0.023 0.000 1.205 349 P CA 0.735 63.870 63.100 0.058 0.000 0.765 349 P CB 0.081 31.785 31.700 0.007 0.000 0.828 350 Y N 2.279 122.409 120.300 -0.284 0.000 2.307 350 Y HA 0.258 4.809 4.550 0.001 0.000 0.323 350 Y C 0.915 176.543 175.900 -0.453 0.000 1.100 350 Y CA -0.543 57.288 58.100 -0.447 0.000 1.140 350 Y CB 1.537 39.476 38.460 -0.868 0.000 1.159 350 Y HN 0.239 nan 8.280 nan 0.000 0.436 351 K N 3.829 123.620 120.400 -1.014 0.000 2.243 351 K HA 0.070 4.391 4.320 0.001 0.000 0.201 351 K C -0.395 175.690 176.600 -0.858 0.000 1.051 351 K CA 0.684 56.426 56.287 -0.908 0.000 0.970 351 K CB 0.110 31.993 32.500 -1.028 0.000 0.755 351 K HN 0.499 nan 8.250 nan 0.000 0.465 352 F N 2.349 121.761 119.950 -0.897 0.000 2.660 352 F HA 0.123 4.650 4.527 0.001 0.000 0.342 352 F C 0.705 176.462 175.800 -0.071 0.000 1.195 352 F CA -0.496 57.212 58.000 -0.487 0.000 1.300 352 F CB -0.480 38.266 39.000 -0.423 0.000 1.616 352 F HN -0.096 nan 8.300 nan 0.000 0.592 353 T N -3.082 111.581 114.554 0.182 0.000 2.810 353 T HA 0.354 4.704 4.350 0.001 0.000 0.277 353 T C 1.465 176.379 174.700 0.356 0.000 0.973 353 T CA -0.691 61.632 62.100 0.371 0.000 0.949 353 T CB 0.944 69.970 68.868 0.263 0.000 1.075 353 T HN 0.335 nan 8.240 nan 0.000 0.537 354 L N 0.280 121.815 121.223 0.521 0.000 2.079 354 L HA -0.060 4.280 4.340 0.001 0.000 0.210 354 L C 2.621 179.585 176.870 0.156 0.000 1.081 354 L CA 1.061 56.040 54.840 0.231 0.000 0.752 354 L CB -0.791 41.301 42.059 0.055 0.000 0.896 354 L HN 0.655 nan 8.230 nan 0.000 0.433 355 L N 0.021 121.365 121.223 0.201 0.000 2.021 355 L HA -0.284 4.056 4.340 0.001 0.000 0.215 355 L C 2.610 179.566 176.870 0.144 0.000 1.074 355 L CA 1.924 56.858 54.840 0.156 0.000 0.760 355 L CB -0.559 41.601 42.059 0.168 0.000 0.889 355 L HN 0.231 nan 8.230 nan 0.000 0.433 356 E N -0.170 120.117 120.200 0.144 0.000 2.085 356 E HA -0.177 4.173 4.350 0.001 0.000 0.194 356 E C 2.147 178.816 176.600 0.115 0.000 0.994 356 E CA 1.300 57.779 56.400 0.131 0.000 0.801 356 E CB -0.850 28.938 29.700 0.146 0.000 0.743 356 E HN 0.689 nan 8.360 nan 0.000 0.453 357 G N 1.168 110.024 108.800 0.093 0.000 2.432 357 G HA2 -0.190 3.771 3.960 0.001 0.000 0.219 357 G HA3 -0.190 3.771 3.960 0.001 0.000 0.219 357 G C 1.743 176.697 174.900 0.090 0.000 1.135 357 G CA 1.170 46.306 45.100 0.061 0.000 0.767 357 G HN 0.389 nan 8.290 nan 0.000 0.550 358 A N 0.827 123.722 122.820 0.124 0.000 1.930 358 A HA 0.045 4.365 4.320 0.001 0.000 0.217 358 A C 2.275 180.016 177.584 0.262 0.000 1.175 358 A CA 1.794 53.953 52.037 0.204 0.000 0.627 358 A CB -0.315 18.800 19.000 0.191 0.000 0.815 358 A HN 0.363 nan 8.150 nan 0.000 0.443 359 K N -0.634 119.873 120.400 0.179 0.000 2.152 359 K HA -0.118 4.202 4.320 0.001 0.000 0.206 359 K C 2.054 178.694 176.600 0.067 0.000 1.048 359 K CA 1.049 57.403 56.287 0.112 0.000 0.933 359 K CB -0.363 32.199 32.500 0.104 0.000 0.721 359 K HN 0.489 nan 8.250 nan 0.000 0.447 360 G N 0.856 109.704 108.800 0.081 0.000 2.404 360 G HA2 -0.192 3.768 3.960 0.001 0.000 0.215 360 G HA3 -0.192 3.768 3.960 0.001 0.000 0.215 360 G C 1.570 176.489 174.900 0.032 0.000 1.174 360 G CA 0.584 45.710 45.100 0.043 0.000 0.780 360 G HN 0.080 nan 8.290 nan 0.000 0.537 361 V N 0.944 120.901 119.914 0.072 0.000 2.287 361 V HA -0.303 3.818 4.120 0.001 0.000 0.248 361 V C 2.776 178.893 176.094 0.040 0.000 1.053 361 V CA 2.407 64.762 62.300 0.092 0.000 1.027 361 V CB -0.718 31.213 31.823 0.180 0.000 0.646 361 V HN 0.553 nan 8.190 nan 0.000 0.447 362 Q N -0.433 119.335 119.800 -0.053 0.000 2.077 362 Q HA -0.292 4.048 4.340 0.001 0.000 0.206 362 Q C 2.263 178.170 176.000 -0.156 0.000 0.989 362 Q CA 2.412 57.995 55.803 -0.367 0.000 0.853 362 Q CB -0.266 28.107 28.738 -0.609 0.000 0.907 362 Q HN 0.544 nan 8.270 nan 0.000 0.418 363 L N 0.536 121.730 121.223 -0.048 0.000 2.056 363 L HA -0.070 4.270 4.340 0.001 0.000 0.207 363 L C 2.275 179.182 176.870 0.061 0.000 1.078 363 L CA 2.098 56.959 54.840 0.034 0.000 0.749 363 L CB -0.832 41.278 42.059 0.084 0.000 0.901 363 L HN 0.311 nan 8.230 nan 0.000 0.433 364 A N -0.934 121.912 122.820 0.043 0.000 1.877 364 A HA -0.234 4.086 4.320 0.001 0.000 0.216 364 A C 2.213 179.831 177.584 0.056 0.000 1.186 364 A CA 1.871 53.941 52.037 0.055 0.000 0.620 364 A CB -0.630 18.393 19.000 0.040 0.000 0.822 364 A HN 0.578 nan 8.150 nan 0.000 0.443 365 E N -0.854 119.365 120.200 0.032 0.000 2.110 365 E HA -0.171 4.179 4.350 0.001 0.000 0.193 365 E C 2.084 178.697 176.600 0.023 0.000 0.988 365 E CA 1.178 57.597 56.400 0.031 0.000 0.804 365 E CB -0.329 29.384 29.700 0.022 0.000 0.745 365 E HN 0.709 nan 8.360 nan 0.000 0.458 366 C N 0.642 119.944 119.300 0.003 0.000 2.429 366 C HA -0.099 4.361 4.460 0.001 0.000 0.277 366 C C 2.895 177.908 174.990 0.038 0.000 1.262 366 C CA 0.781 59.810 59.018 0.018 0.000 1.733 366 C CB -0.978 26.774 27.740 0.020 0.000 2.010 366 C HN 0.508 nan 8.230 nan 0.000 0.483 367 A N 0.706 123.556 122.820 0.050 0.000 1.883 367 A HA -0.149 4.171 4.320 0.001 0.000 0.217 367 A C 2.098 179.747 177.584 0.109 0.000 1.186 367 A CA 1.695 53.756 52.037 0.039 0.000 0.624 367 A CB -0.675 18.353 19.000 0.047 0.000 0.822 367 A HN 0.625 nan 8.150 nan 0.000 0.444 368 L N -0.904 120.409 121.223 0.150 0.000 2.046 368 L HA -0.186 4.154 4.340 0.001 0.000 0.208 368 L C 2.613 179.571 176.870 0.147 0.000 1.077 368 L CA 1.898 56.875 54.840 0.229 0.000 0.747 368 L CB -0.434 41.724 42.059 0.166 0.000 0.896 368 L HN 0.425 nan 8.230 nan 0.000 0.432 369 K N 0.269 120.717 120.400 0.080 0.000 2.057 369 K HA -0.188 4.132 4.320 0.001 0.000 0.207 369 K C 2.389 179.021 176.600 0.055 0.000 1.049 369 K CA 1.683 57.997 56.287 0.045 0.000 0.931 369 K CB -0.021 32.498 32.500 0.032 0.000 0.714 369 K HN 0.373 nan 8.250 nan 0.000 0.440 370 S N -0.192 115.542 115.700 0.056 0.000 2.382 370 S HA -0.175 4.296 4.470 0.001 0.000 0.228 370 S C 1.808 176.465 174.600 0.096 0.000 1.027 370 S CA 0.758 58.971 58.200 0.022 0.000 0.991 370 S CB -0.686 62.462 63.200 -0.088 0.000 0.823 370 S HN 0.550 nan 8.310 nan 0.000 0.469 371 W N 3.166 124.417 121.300 -0.080 0.000 2.354 371 W HA -0.019 4.642 4.660 0.001 0.000 0.315 371 W C 2.373 178.869 176.519 -0.037 0.000 1.206 371 W CA 1.483 58.792 57.345 -0.060 0.000 1.290 371 W CB -0.876 28.559 29.460 -0.042 0.000 1.152 371 W HN 0.397 nan 8.180 nan 0.000 0.489 372 K N 0.222 120.605 120.400 -0.028 0.000 2.097 372 K HA -0.184 4.136 4.320 0.001 0.000 0.206 372 K C 1.593 178.155 176.600 -0.062 0.000 1.049 372 K CA 2.009 58.188 56.287 -0.180 0.000 0.933 372 K CB -0.360 32.036 32.500 -0.174 0.000 0.717 372 K HN 0.191 nan 8.250 nan 0.000 0.442 373 E N 0.117 120.315 120.200 -0.003 0.000 2.481 373 E HA 0.087 4.437 4.350 0.001 0.000 0.198 373 E C -0.610 176.006 176.600 0.027 0.000 1.027 373 E CA -0.194 56.211 56.400 0.008 0.000 0.900 373 E CB 0.470 30.179 29.700 0.015 0.000 0.993 373 E HN 0.222 nan 8.360 nan 0.000 0.482 374 R N 0.812 121.338 120.500 0.044 0.000 3.422 374 R HA -0.210 4.130 4.340 0.001 0.000 0.267 374 R C -0.180 176.134 176.300 0.023 0.000 1.074 374 R CA 0.888 57.014 56.100 0.044 0.000 0.718 374 R CB -2.338 27.988 30.300 0.043 0.000 1.157 374 R HN 0.343 nan 8.270 nan 0.000 0.440 375 R N -1.810 118.695 120.500 0.008 0.000 2.734 375 R HA 0.381 4.721 4.340 0.001 0.000 0.271 375 R C -1.154 175.150 176.300 0.007 0.000 1.021 375 R CA -1.085 55.040 56.100 0.041 0.000 0.893 375 R CB 0.568 30.920 30.300 0.087 0.000 1.244 375 R HN -0.015 nan 8.270 nan 0.000 0.464 376 W N 1.291 122.595 121.300 0.006 0.000 2.193 376 W HA 0.264 4.924 4.660 0.000 0.000 0.338 376 W C 0.115 176.639 176.519 0.008 0.000 1.310 376 W CA 0.098 57.442 57.345 -0.000 0.000 1.243 376 W CB 0.493 29.951 29.460 -0.003 0.000 1.165 376 W HN 0.249 nan 8.180 nan 0.000 0.566 377 I N 3.781 124.488 120.570 0.229 0.000 2.466 377 I HA 0.112 4.282 4.170 0.001 0.000 0.289 377 I C -0.385 175.834 176.117 0.170 0.000 1.026 377 I CA -1.023 60.366 61.300 0.149 0.000 1.078 377 I CB 1.178 39.222 38.000 0.074 0.000 1.249 377 I HN 0.265 nan 8.210 nan 0.000 0.429 378 D N 4.920 125.398 120.400 0.131 0.000 2.341 378 D HA 0.207 4.848 4.640 0.001 0.000 0.245 378 D C -0.025 176.319 176.300 0.074 0.000 1.106 378 D CA -0.120 53.945 54.000 0.108 0.000 0.905 378 D CB 2.087 42.931 40.800 0.075 0.000 1.202 378 D HN 0.080 nan 8.370 nan 0.000 0.426 379 V N 2.015 121.972 119.914 0.071 0.000 2.320 379 V HA 0.359 4.480 4.120 0.001 0.000 0.265 379 V C 0.712 176.818 176.094 0.021 0.000 1.048 379 V CA -0.867 61.453 62.300 0.033 0.000 0.865 379 V CB 0.434 32.289 31.823 0.052 0.000 1.043 379 V HN 0.649 nan 8.190 nan 0.000 0.474 380 A N 8.340 131.162 122.820 0.003 0.000 2.520 380 A HA 0.507 4.827 4.320 0.001 0.000 0.235 380 A C -1.889 175.710 177.584 0.025 0.000 1.065 380 A CA -0.654 51.394 52.037 0.019 0.000 0.764 380 A CB -0.291 18.724 19.000 0.024 0.000 1.002 380 A HN 0.664 nan 8.150 nan 0.000 0.502 381 P HA 0.410 nan 4.420 nan 0.000 0.272 381 P C -0.325 177.024 177.300 0.082 0.000 1.240 381 P CA -0.185 62.948 63.100 0.055 0.000 0.791 381 P CB 0.428 32.158 31.700 0.050 0.000 0.978 382 I N 0.000 120.631 120.570 0.101 0.000 2.984 382 I HA 0.000 4.170 4.170 0.001 0.000 0.288 382 I CA 0.000 61.383 61.300 0.139 0.000 1.566 382 I CB 0.000 38.108 38.000 0.180 0.000 1.214 382 I HN 0.000 nan 8.210 nan 0.000 0.494