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 1tv6_1_B DATA FIRST_RESID 6 DATA SEQUENCE ETVPVKLKPG MDGPKVKQWP LTEEKIKALV EICTEMEKEG KISKIGPENP DATA SEQUENCE YNTPVFAIKK KDSTKWRKLV DFRELNKRTQ DFWEVQLGIP HPAGLKKKKS DATA SEQUENCE VTVLDVGDAY FSVPLDEDFR KYTAFTIPSI NNETPGIRYQ YNVLPQGWKG DATA SEQUENCE SPAIFQSSMT KILEPFKKQN PDIVIYQYMD DLYVGSDLEI GQHRTKIEEL DATA SEQUENCE RQHLLRWGLT TPDXXXXXXX XXXXXGYELH PDKWTVQPIV LPEKDSWTVN DATA SEQUENCE DIQKLVGKLN WASQIYPGIK VRQLCKLLRG TKALTEVIPL TEEAELELAE DATA SEQUENCE NREILKEPVH GVYYDPSKDL IAEIQKQGQG QWTYQIYQEP FKNLKTGKYA DATA SEQUENCE RMRGAHTNDV KQLTEAVQKI TTESIVIWGK TPKFKLPIQK ETWETWWTEY DATA SEQUENCE WQATWIPEWE FVNTPPLVKL WYQ 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.646 176.600 0.076 0.000 1.382 6 E CA 0.000 56.441 56.400 0.068 0.000 0.976 6 E CB 0.000 29.733 29.700 0.054 0.000 0.812 7 T N 0.815 115.418 114.554 0.081 0.000 2.701 7 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 7 T C 0.378 175.131 174.700 0.088 0.000 1.011 7 T CA 0.649 62.801 62.100 0.088 0.000 1.157 7 T CB 0.140 69.056 68.868 0.079 0.000 1.063 7 T HN 0.189 nan 8.240 nan 0.000 0.457 8 V N 7.005 126.980 119.914 0.102 0.000 2.315 8 V HA 0.238 4.358 4.120 -0.000 0.000 0.265 8 V C -2.096 174.077 176.094 0.132 0.000 1.019 8 V CA -1.618 60.755 62.300 0.123 0.000 0.824 8 V CB 0.811 32.729 31.823 0.159 0.000 1.072 8 V HN 0.771 nan 8.190 nan 0.000 0.448 9 P HA -0.172 nan 4.420 nan 0.000 0.255 9 P C -0.578 176.752 177.300 0.050 0.000 1.104 9 P CA 0.944 64.092 63.100 0.081 0.000 0.764 9 P CB 0.096 31.854 31.700 0.096 0.000 0.682 10 V N 4.653 124.484 119.914 -0.138 0.000 2.444 10 V HA 0.420 4.540 4.120 -0.000 0.000 0.294 10 V C 0.379 176.353 176.094 -0.200 0.000 1.022 10 V CA -0.466 61.522 62.300 -0.520 0.000 0.850 10 V CB 1.699 32.762 31.823 -1.267 0.000 0.992 10 V HN 0.471 nan 8.190 nan 0.000 0.426 11 K N 4.103 124.443 120.400 -0.100 0.000 2.259 11 K HA 0.837 5.157 4.320 -0.000 0.000 0.249 11 K C -1.437 175.186 176.600 0.038 0.000 0.942 11 K CA -0.914 55.398 56.287 0.042 0.000 0.816 11 K CB 2.179 34.725 32.500 0.076 0.000 1.155 11 K HN 0.331 nan 8.250 nan 0.000 0.428 12 L N 2.263 123.503 121.223 0.029 0.000 2.375 12 L HA 0.248 4.588 4.340 -0.000 0.000 0.271 12 L C -0.047 176.826 176.870 0.005 0.000 1.107 12 L CA -0.126 54.706 54.840 -0.013 0.000 0.806 12 L CB 1.047 43.017 42.059 -0.147 0.000 1.146 12 L HN 0.591 nan 8.230 nan 0.000 0.447 13 K N 3.982 124.385 120.400 0.006 0.000 2.402 13 K HA 0.060 4.380 4.320 -0.000 0.000 0.279 13 K C -2.180 174.421 176.600 0.001 0.000 1.082 13 K CA -1.339 54.948 56.287 0.001 0.000 1.080 13 K CB -0.398 32.096 32.500 -0.010 0.000 0.899 13 K HN 0.333 nan 8.250 nan 0.000 0.469 14 P HA -0.202 nan 4.420 nan 0.000 0.270 14 P C 0.709 178.015 177.300 0.011 0.000 1.181 14 P CA 1.125 64.232 63.100 0.012 0.000 0.767 14 P CB 0.317 32.025 31.700 0.013 0.000 0.799 15 G N 0.471 109.281 108.800 0.017 0.000 2.179 15 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 15 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 15 G C -0.065 174.846 174.900 0.019 0.000 1.010 15 G CA 0.137 45.248 45.100 0.018 0.000 0.736 15 G HN 0.472 nan 8.290 nan 0.000 0.513 16 M N -0.249 119.360 119.600 0.015 0.000 2.386 16 M HA 0.414 4.894 4.480 -0.000 0.000 0.293 16 M C -0.985 175.317 176.300 0.005 0.000 1.120 16 M CA -0.825 54.482 55.300 0.011 0.000 0.909 16 M CB 2.158 34.758 32.600 0.000 0.000 1.661 16 M HN 0.122 nan 8.290 nan 0.000 0.452 17 D N 1.021 121.440 120.400 0.031 0.000 2.385 17 D HA 0.618 5.258 4.640 -0.000 0.000 0.254 17 D C 0.189 176.496 176.300 0.013 0.000 1.053 17 D CA 0.093 54.135 54.000 0.070 0.000 0.992 17 D CB 1.622 42.518 40.800 0.161 0.000 1.145 17 D HN 0.685 nan 8.370 nan 0.000 0.523 18 G N 0.312 109.117 108.800 0.009 0.000 2.716 18 G HA2 0.281 4.241 3.960 -0.000 0.000 0.251 18 G HA3 0.281 4.241 3.960 -0.000 0.000 0.251 18 G C -2.172 172.816 174.900 0.146 0.000 1.224 18 G CA -0.769 44.189 45.100 -0.238 0.000 0.891 18 G HN 0.486 nan 8.290 nan 0.000 0.561 19 P HA 0.266 nan 4.420 nan 0.000 0.275 19 P C -0.955 176.527 177.300 0.304 0.000 1.227 19 P CA -0.133 63.083 63.100 0.194 0.000 0.781 19 P CB 1.238 33.025 31.700 0.146 0.000 0.906 20 K N 1.894 122.414 120.400 0.199 0.000 3.029 20 K HA 0.322 4.642 4.320 -0.000 0.000 0.169 20 K C -0.836 175.827 176.600 0.105 0.000 1.090 20 K CA -0.438 55.935 56.287 0.142 0.000 0.883 20 K CB 1.128 33.683 32.500 0.092 0.000 1.080 20 K HN 0.227 nan 8.250 nan 0.000 0.613 21 V N 1.603 121.588 119.914 0.119 0.000 2.532 21 V HA 0.324 4.444 4.120 -0.000 0.000 0.295 21 V C 0.236 176.396 176.094 0.110 0.000 1.041 21 V CA -0.992 61.379 62.300 0.117 0.000 0.926 21 V CB 1.456 33.369 31.823 0.151 0.000 0.992 21 V HN 0.263 nan 8.190 nan 0.000 0.457 22 K N 2.298 122.756 120.400 0.096 0.000 2.144 22 K HA 0.353 4.673 4.320 -0.000 0.000 0.270 22 K C -0.105 176.592 176.600 0.161 0.000 1.005 22 K CA -0.590 55.748 56.287 0.084 0.000 0.932 22 K CB 0.969 33.489 32.500 0.032 0.000 1.021 22 K HN 0.701 nan 8.250 nan 0.000 0.462 23 Q N 1.910 121.786 119.800 0.128 0.000 2.311 23 Q HA 0.043 4.383 4.340 -0.000 0.000 0.272 23 Q C -1.019 175.132 176.000 0.251 0.000 1.012 23 Q CA 0.212 56.110 55.803 0.159 0.000 0.891 23 Q CB 0.335 29.102 28.738 0.048 0.000 1.201 23 Q HN 0.245 nan 8.270 nan 0.000 0.391 24 W N 5.066 126.321 121.300 -0.075 0.000 2.161 24 W HA 0.356 5.016 4.660 -0.000 0.000 0.344 24 W C -1.904 174.591 176.519 -0.040 0.000 1.262 24 W CA -2.209 55.137 57.345 0.001 0.000 1.270 24 W CB -0.630 28.904 29.460 0.123 0.000 1.126 24 W HN 0.588 nan 8.180 nan 0.000 0.598 25 P HA 0.262 nan 4.420 nan 0.000 0.280 25 P C -0.640 176.693 177.300 0.055 0.000 1.244 25 P CA -0.089 63.058 63.100 0.078 0.000 0.784 25 P CB 0.601 32.325 31.700 0.040 0.000 0.913 26 L N 1.453 122.670 121.223 -0.010 0.000 2.322 26 L HA 0.551 4.891 4.340 -0.000 0.000 0.269 26 L C 0.953 177.775 176.870 -0.081 0.000 1.012 26 L CA -0.943 53.862 54.840 -0.058 0.000 0.815 26 L CB 1.684 43.684 42.059 -0.098 0.000 1.295 26 L HN 0.332 nan 8.230 nan 0.000 0.438 27 T N -3.308 111.181 114.554 -0.108 0.000 2.898 27 T HA 0.023 4.373 4.350 -0.000 0.000 0.301 27 T C 0.888 175.529 174.700 -0.099 0.000 1.049 27 T CA -0.357 61.687 62.100 -0.093 0.000 1.095 27 T CB 1.187 70.002 68.868 -0.089 0.000 0.976 27 T HN 0.808 nan 8.240 nan 0.000 0.539 28 E N 0.583 120.741 120.200 -0.070 0.000 2.160 28 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 28 E C 1.872 178.414 176.600 -0.098 0.000 0.991 28 E CA 1.529 57.887 56.400 -0.070 0.000 0.810 28 E CB -0.054 29.622 29.700 -0.040 0.000 0.742 28 E HN 0.898 nan 8.360 nan 0.000 0.466 29 E N 0.643 120.786 120.200 -0.095 0.000 2.012 29 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 29 E C 1.943 178.349 176.600 -0.323 0.000 1.007 29 E CA 1.630 57.959 56.400 -0.118 0.000 0.816 29 E CB 0.038 29.726 29.700 -0.019 0.000 0.762 29 E HN 0.169 nan 8.360 nan 0.000 0.451 30 K N 0.289 120.445 120.400 -0.407 0.000 2.097 30 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 30 K C 2.269 178.628 176.600 -0.402 0.000 1.049 30 K CA 1.466 57.397 56.287 -0.594 0.000 0.933 30 K CB -0.175 32.056 32.500 -0.448 0.000 0.717 30 K HN 0.276 nan 8.250 nan 0.000 0.442 31 I N 1.381 121.802 120.570 -0.248 0.000 2.163 31 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 31 I C 2.192 178.208 176.117 -0.169 0.000 1.085 31 I CA 1.511 62.710 61.300 -0.169 0.000 1.347 31 I CB -0.378 37.556 38.000 -0.111 0.000 1.044 31 I HN 0.185 nan 8.210 nan 0.000 0.408 32 K N 0.852 121.147 120.400 -0.175 0.000 2.044 32 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 32 K C 2.258 178.757 176.600 -0.168 0.000 1.049 32 K CA 1.765 57.969 56.287 -0.139 0.000 0.927 32 K CB -0.279 32.157 32.500 -0.108 0.000 0.713 32 K HN 0.352 nan 8.250 nan 0.000 0.443 33 A N 1.246 123.871 122.820 -0.324 0.000 1.877 33 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 33 A C 2.121 179.589 177.584 -0.194 0.000 1.186 33 A CA 1.230 53.065 52.037 -0.336 0.000 0.620 33 A CB -0.651 17.819 19.000 -0.884 0.000 0.822 33 A HN 0.173 nan 8.150 nan 0.000 0.443 34 L N -0.402 120.694 121.223 -0.213 0.000 2.079 34 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 34 L C 2.520 179.370 176.870 -0.034 0.000 1.081 34 L CA 1.126 55.902 54.840 -0.107 0.000 0.752 34 L CB -0.599 41.400 42.059 -0.099 0.000 0.896 34 L HN 0.256 nan 8.230 nan 0.000 0.433 35 V N 0.565 120.458 119.914 -0.036 0.000 2.343 35 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 35 V C 2.552 178.649 176.094 0.004 0.000 1.051 35 V CA 2.188 64.495 62.300 0.011 0.000 1.036 35 V CB -0.709 31.111 31.823 -0.005 0.000 0.654 35 V HN 0.663 nan 8.190 nan 0.000 0.451 36 E N 0.501 120.691 120.200 -0.017 0.000 2.031 36 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 36 E C 2.220 178.814 176.600 -0.011 0.000 0.994 36 E CA 1.892 58.289 56.400 -0.006 0.000 0.800 36 E CB -0.509 29.194 29.700 0.005 0.000 0.752 36 E HN 0.524 nan 8.360 nan 0.000 0.447 37 I N 1.404 121.965 120.570 -0.014 0.000 2.091 37 I HA -0.365 3.805 4.170 -0.000 0.000 0.239 37 I C 2.706 178.781 176.117 -0.069 0.000 1.061 37 I CA 1.500 62.788 61.300 -0.020 0.000 1.317 37 I CB -0.464 37.529 38.000 -0.012 0.000 1.031 37 I HN 0.371 nan 8.210 nan 0.000 0.401 38 C N 0.248 119.495 119.300 -0.089 0.000 2.422 38 C HA -0.148 4.312 4.460 -0.000 0.000 0.279 38 C C 2.958 177.814 174.990 -0.225 0.000 1.305 38 C CA 1.495 60.377 59.018 -0.226 0.000 1.757 38 C CB -1.352 26.264 27.740 -0.206 0.000 1.962 38 C HN 0.555 nan 8.230 nan 0.000 0.499 39 T N 0.506 115.014 114.554 -0.075 0.000 2.867 39 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 39 T C 1.631 176.295 174.700 -0.060 0.000 1.057 39 T CA 1.380 63.459 62.100 -0.035 0.000 1.136 39 T CB -0.183 68.688 68.868 0.005 0.000 0.874 39 T HN 0.484 nan 8.240 nan 0.000 0.466 40 E N 1.102 121.265 120.200 -0.062 0.000 2.046 40 E HA 0.117 4.467 4.350 -0.000 0.000 0.190 40 E C 2.147 178.692 176.600 -0.091 0.000 0.982 40 E CA 0.859 57.227 56.400 -0.054 0.000 0.800 40 E CB -0.404 29.280 29.700 -0.027 0.000 0.756 40 E HN 0.446 nan 8.360 nan 0.000 0.449 41 M N 0.177 119.692 119.600 -0.142 0.000 2.202 41 M HA -0.206 4.274 4.480 -0.000 0.000 0.262 41 M C 2.209 178.378 176.300 -0.219 0.000 1.063 41 M CA 1.457 56.630 55.300 -0.212 0.000 1.097 41 M CB -0.153 32.273 32.600 -0.289 0.000 1.382 41 M HN 0.133 nan 8.290 nan 0.000 0.413 42 E N 0.608 120.679 120.200 -0.216 0.000 2.047 42 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 42 E C 1.859 178.409 176.600 -0.084 0.000 0.987 42 E CA 1.137 57.444 56.400 -0.155 0.000 0.799 42 E CB 0.159 29.802 29.700 -0.095 0.000 0.752 42 E HN 0.413 nan 8.360 nan 0.000 0.449 43 K N 0.445 120.806 120.400 -0.065 0.000 2.044 43 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 43 K C 1.837 178.412 176.600 -0.041 0.000 1.049 43 K CA 1.794 58.057 56.287 -0.039 0.000 0.927 43 K CB -0.116 32.367 32.500 -0.028 0.000 0.713 43 K HN 0.224 nan 8.250 nan 0.000 0.443 44 E N -0.371 119.795 120.200 -0.058 0.000 2.526 44 E HA -0.014 4.336 4.350 -0.000 0.000 0.198 44 E C 0.823 177.387 176.600 -0.060 0.000 1.091 44 E CA 0.314 56.683 56.400 -0.051 0.000 0.880 44 E CB 0.064 29.730 29.700 -0.057 0.000 0.873 44 E HN 0.523 nan 8.360 nan 0.000 0.527 45 G N 1.973 110.732 108.800 -0.069 0.000 2.166 45 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.260 45 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.260 45 G C 0.867 175.715 174.900 -0.087 0.000 0.986 45 G CA 0.881 45.945 45.100 -0.060 0.000 0.683 45 G HN 0.315 nan 8.290 nan 0.000 0.527 46 K N -0.364 119.939 120.400 -0.161 0.000 2.211 46 K HA 0.235 4.555 4.320 -0.000 0.000 0.203 46 K C 1.445 177.924 176.600 -0.201 0.000 1.050 46 K CA 1.417 57.572 56.287 -0.222 0.000 0.945 46 K CB 0.057 32.280 32.500 -0.461 0.000 0.732 46 K HN 0.854 nan 8.250 nan 0.000 0.451 47 I N -4.137 116.292 120.570 -0.236 0.000 3.102 47 I HA 0.409 4.579 4.170 -0.000 0.000 0.310 47 I C -1.210 174.834 176.117 -0.121 0.000 1.246 47 I CA -0.993 60.164 61.300 -0.239 0.000 0.979 47 I CB 2.590 40.331 38.000 -0.431 0.000 1.267 47 I HN -0.324 nan 8.210 nan 0.000 0.451 48 S N 1.491 117.184 115.700 -0.012 0.000 2.595 48 S HA 0.495 4.965 4.470 -0.000 0.000 0.281 48 S C -0.927 173.768 174.600 0.157 0.000 1.117 48 S CA -1.025 57.215 58.200 0.068 0.000 0.873 48 S CB 2.057 65.266 63.200 0.015 0.000 1.108 48 S HN 0.490 nan 8.310 nan 0.000 0.477 49 K N 1.794 122.256 120.400 0.103 0.000 2.258 49 K HA 0.456 4.776 4.320 -0.000 0.000 0.264 49 K C -0.054 176.472 176.600 -0.124 0.000 1.007 49 K CA -0.052 56.169 56.287 -0.111 0.000 0.941 49 K CB 0.329 32.738 32.500 -0.151 0.000 0.966 49 K HN 0.694 nan 8.250 nan 0.000 0.480 50 I N -2.933 117.521 120.570 -0.194 0.000 3.074 50 I HA 0.604 4.774 4.170 -0.000 0.000 0.310 50 I C 0.070 176.096 176.117 -0.151 0.000 1.153 50 I CA -1.101 60.111 61.300 -0.147 0.000 0.993 50 I CB 2.125 40.042 38.000 -0.139 0.000 1.237 50 I HN 0.540 nan 8.210 nan 0.000 0.443 51 G N 1.099 109.829 108.800 -0.117 0.000 2.671 51 G HA2 0.577 4.537 3.960 -0.000 0.000 0.275 51 G HA3 0.577 4.537 3.960 -0.000 0.000 0.275 51 G C -1.847 172.989 174.900 -0.107 0.000 1.368 51 G CA -1.115 43.920 45.100 -0.108 0.000 1.044 51 G HN 0.595 nan 8.290 nan 0.000 0.543 52 P HA -0.040 nan 4.420 nan 0.000 0.226 52 P C 0.842 178.084 177.300 -0.097 0.000 1.153 52 P CA 0.854 63.897 63.100 -0.095 0.000 0.777 52 P CB 0.068 31.719 31.700 -0.082 0.000 0.794 53 E N -0.490 119.657 120.200 -0.088 0.000 2.520 53 E HA -0.055 4.295 4.350 -0.000 0.000 0.201 53 E C 0.579 177.118 176.600 -0.101 0.000 1.122 53 E CA 0.049 56.398 56.400 -0.085 0.000 0.896 53 E CB -0.671 28.988 29.700 -0.069 0.000 0.891 53 E HN 0.096 nan 8.360 nan 0.000 0.533 54 N N 1.197 119.827 118.700 -0.117 0.000 2.573 54 N HA 0.108 4.848 4.740 -0.000 0.000 0.262 54 N C -2.035 173.361 175.510 -0.191 0.000 1.029 54 N CA -1.952 51.024 53.050 -0.123 0.000 0.882 54 N CB 1.591 40.035 38.487 -0.071 0.000 1.204 54 N HN -0.103 nan 8.380 nan 0.000 0.519 55 P HA 0.047 nan 4.420 nan 0.000 0.241 55 P C -0.303 176.759 177.300 -0.396 0.000 1.191 55 P CA 0.328 63.186 63.100 -0.403 0.000 0.771 55 P CB 0.155 31.550 31.700 -0.508 0.000 0.929 56 Y N 1.095 121.381 120.300 -0.023 0.000 2.300 56 Y HA 0.462 5.012 4.550 -0.000 0.000 0.328 56 Y C 0.992 176.898 175.900 0.010 0.000 1.270 56 Y CA -0.233 57.874 58.100 0.012 0.000 1.352 56 Y CB 0.335 38.814 38.460 0.031 0.000 1.286 56 Y HN -0.080 nan 8.280 nan 0.000 0.536 57 N N -0.796 118.040 118.700 0.227 0.000 2.647 57 N HA 0.409 5.149 4.740 -0.000 0.000 0.259 57 N C -1.927 173.671 175.510 0.147 0.000 1.098 57 N CA -0.396 52.741 53.050 0.145 0.000 0.984 57 N CB 1.557 40.092 38.487 0.079 0.000 1.683 57 N HN 0.548 nan 8.380 nan 0.000 0.501 58 T N 2.936 117.567 114.554 0.128 0.000 2.881 58 T HA 0.543 4.893 4.350 -0.000 0.000 0.290 58 T C -2.772 171.922 174.700 -0.010 0.000 1.000 58 T CA -0.940 61.194 62.100 0.056 0.000 0.978 58 T CB 1.946 70.804 68.868 -0.017 0.000 0.997 58 T HN 0.308 nan 8.240 nan 0.000 0.443 59 P HA 0.222 nan 4.420 nan 0.000 0.268 59 P C -1.008 176.040 177.300 -0.421 0.000 1.208 59 P CA -0.352 62.618 63.100 -0.216 0.000 0.777 59 P CB 0.417 32.004 31.700 -0.188 0.000 0.875 60 V N -0.596 118.949 119.914 -0.615 0.000 2.808 60 V HA 0.685 4.804 4.120 -0.000 0.000 0.308 60 V C -1.042 174.585 176.094 -0.778 0.000 1.099 60 V CA -0.753 61.222 62.300 -0.542 0.000 0.920 60 V CB 1.439 33.092 31.823 -0.282 0.000 1.014 60 V HN 0.256 nan 8.190 nan 0.000 0.425 61 F N 1.816 121.636 119.950 -0.217 0.000 2.661 61 F HA 0.984 5.511 4.527 -0.000 0.000 0.347 61 F C 0.511 176.181 175.800 -0.217 0.000 1.086 61 F CA -0.482 57.357 58.000 -0.269 0.000 1.016 61 F CB 2.054 40.832 39.000 -0.371 0.000 1.368 61 F HN 0.896 nan 8.300 nan 0.000 0.505 62 A N 1.494 124.306 122.820 -0.014 0.000 2.359 62 A HA 0.831 5.151 4.320 -0.000 0.000 0.303 62 A C -0.905 176.755 177.584 0.127 0.000 1.066 62 A CA -0.525 51.486 52.037 -0.042 0.000 0.730 62 A CB 0.749 19.527 19.000 -0.370 0.000 1.211 62 A HN 0.733 nan 8.150 nan 0.000 0.439 63 I N -1.362 119.357 120.570 0.248 0.000 3.206 63 I HA 0.727 4.897 4.170 -0.000 0.000 0.313 63 I C -0.923 175.338 176.117 0.240 0.000 1.103 63 I CA -1.258 60.172 61.300 0.217 0.000 0.985 63 I CB 2.084 40.127 38.000 0.072 0.000 1.240 63 I HN 0.240 nan 8.210 nan 0.000 0.464 64 K N 2.711 123.103 120.400 -0.013 0.000 2.235 64 K HA 0.436 4.756 4.320 -0.000 0.000 0.266 64 K C -0.752 175.782 176.600 -0.110 0.000 0.980 64 K CA -0.625 55.552 56.287 -0.183 0.000 0.849 64 K CB 1.884 34.170 32.500 -0.358 0.000 1.098 64 K HN 0.593 nan 8.250 nan 0.000 0.445 65 K N 1.238 121.583 120.400 -0.093 0.000 2.187 65 K HA 0.055 4.375 4.320 -0.000 0.000 0.247 65 K C 0.308 176.850 176.600 -0.096 0.000 1.019 65 K CA -0.564 55.673 56.287 -0.082 0.000 0.893 65 K CB 0.269 32.729 32.500 -0.066 0.000 1.025 65 K HN 0.176 nan 8.250 nan 0.000 0.500 66 K N 1.775 122.124 120.400 -0.085 0.000 2.412 66 K HA -0.072 4.248 4.320 -0.000 0.000 0.284 66 K C -0.583 175.983 176.600 -0.057 0.000 1.046 66 K CA 0.760 57.008 56.287 -0.065 0.000 0.999 66 K CB -0.175 32.302 32.500 -0.039 0.000 0.941 66 K HN 0.637 nan 8.250 nan 0.000 0.474 67 D N 1.170 121.535 120.400 -0.059 0.000 2.792 67 D HA -0.171 4.469 4.640 -0.000 0.000 0.192 67 D C -0.748 175.511 176.300 -0.068 0.000 1.007 67 D CA 1.767 55.734 54.000 -0.054 0.000 1.020 67 D CB -1.411 39.367 40.800 -0.037 0.000 1.089 67 D HN 0.587 nan 8.370 nan 0.000 0.438 68 S N -0.921 114.727 115.700 -0.088 0.000 2.681 68 S HA 0.651 5.121 4.470 -0.000 0.000 0.299 68 S C 1.011 175.519 174.600 -0.154 0.000 1.113 68 S CA -0.090 58.051 58.200 -0.098 0.000 1.013 68 S CB 2.033 65.185 63.200 -0.080 0.000 1.076 68 S HN 0.166 nan 8.310 nan 0.000 0.534 69 T N -2.599 111.859 114.554 -0.160 0.000 3.214 69 T HA 0.232 4.582 4.350 -0.000 0.000 0.264 69 T C 0.124 174.661 174.700 -0.271 0.000 1.012 69 T CA -0.629 61.325 62.100 -0.244 0.000 0.901 69 T CB -0.679 68.084 68.868 -0.175 0.000 1.070 69 T HN 0.724 nan 8.240 nan 0.000 0.561 70 K N 0.554 120.844 120.400 -0.184 0.000 2.201 70 K HA 0.383 4.703 4.320 -0.000 0.000 0.278 70 K C -1.119 175.431 176.600 -0.083 0.000 1.027 70 K CA -0.962 55.273 56.287 -0.087 0.000 0.909 70 K CB 0.782 33.267 32.500 -0.024 0.000 1.062 70 K HN 0.289 nan 8.250 nan 0.000 0.465 71 W N 2.743 124.029 121.300 -0.024 0.000 2.251 71 W HA 0.248 4.908 4.660 -0.000 0.000 0.329 71 W C 0.530 177.034 176.519 -0.024 0.000 1.234 71 W CA -0.543 56.785 57.345 -0.030 0.000 1.228 71 W CB 1.063 30.505 29.460 -0.029 0.000 1.135 71 W HN 0.577 nan 8.180 nan 0.000 0.576 72 R N 3.110 123.787 120.500 0.294 0.000 2.599 72 R HA 0.345 4.685 4.340 -0.000 0.000 0.295 72 R C -0.673 175.705 176.300 0.129 0.000 0.963 72 R CA -0.897 55.297 56.100 0.156 0.000 0.883 72 R CB 1.230 31.584 30.300 0.089 0.000 1.171 72 R HN 0.470 nan 8.270 nan 0.000 0.450 73 K N 3.613 124.062 120.400 0.082 0.000 2.185 73 K HA 0.265 4.585 4.320 -0.000 0.000 0.271 73 K C -1.332 175.298 176.600 0.051 0.000 1.013 73 K CA -0.527 55.778 56.287 0.031 0.000 0.943 73 K CB 0.806 33.299 32.500 -0.012 0.000 0.998 73 K HN 0.451 nan 8.250 nan 0.000 0.468 74 L N 5.089 126.336 121.223 0.040 0.000 2.529 74 L HA 0.279 4.619 4.340 -0.000 0.000 0.260 74 L C -1.611 175.288 176.870 0.048 0.000 0.997 74 L CA -0.554 54.342 54.840 0.094 0.000 0.885 74 L CB 1.585 43.741 42.059 0.160 0.000 1.185 74 L HN 0.357 nan 8.230 nan 0.000 0.442 75 V N 3.257 123.136 119.914 -0.059 0.000 2.470 75 V HA 0.169 4.289 4.120 -0.000 0.000 0.276 75 V C 0.285 176.228 176.094 -0.251 0.000 1.040 75 V CA -0.333 61.786 62.300 -0.302 0.000 1.008 75 V CB 1.007 32.481 31.823 -0.582 0.000 0.990 75 V HN 0.694 nan 8.190 nan 0.000 0.477 76 D N 4.638 124.940 120.400 -0.163 0.000 2.416 76 D HA 0.096 4.736 4.640 -0.000 0.000 0.240 76 D C 0.244 176.492 176.300 -0.086 0.000 1.250 76 D CA -0.201 53.802 54.000 0.005 0.000 0.967 76 D CB 0.178 41.081 40.800 0.171 0.000 1.059 76 D HN 0.410 nan 8.370 nan 0.000 0.512 77 F N 2.300 122.324 119.950 0.123 0.000 2.676 77 F HA 0.238 4.765 4.527 -0.000 0.000 0.300 77 F C 2.066 177.934 175.800 0.114 0.000 1.160 77 F CA -0.281 57.793 58.000 0.123 0.000 1.401 77 F CB 0.028 39.125 39.000 0.161 0.000 1.037 77 F HN 0.237 nan 8.300 nan 0.000 0.522 78 R N 0.029 120.651 120.500 0.204 0.000 2.117 78 R HA -0.228 4.112 4.340 -0.000 0.000 0.243 78 R C 1.993 178.387 176.300 0.158 0.000 1.143 78 R CA 1.720 57.900 56.100 0.133 0.000 0.968 78 R CB -0.176 30.133 30.300 0.016 0.000 0.863 78 R HN 0.208 nan 8.270 nan 0.000 0.444 79 E N 0.711 121.011 120.200 0.167 0.000 2.051 79 E HA -0.124 4.226 4.350 -0.000 0.000 0.189 79 E C 1.701 178.415 176.600 0.190 0.000 0.979 79 E CA 0.617 57.111 56.400 0.157 0.000 0.803 79 E CB -0.145 29.637 29.700 0.137 0.000 0.761 79 E HN 0.109 nan 8.360 nan 0.000 0.451 80 L N 1.011 122.377 121.223 0.238 0.000 2.131 80 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 80 L C 1.441 178.508 176.870 0.329 0.000 1.092 80 L CA 1.675 56.645 54.840 0.217 0.000 0.759 80 L CB -0.749 41.442 42.059 0.221 0.000 0.903 80 L HN 0.105 nan 8.230 nan 0.000 0.435 81 N N 0.149 119.075 118.700 0.377 0.000 2.120 81 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 81 N C 1.804 177.654 175.510 0.566 0.000 1.024 81 N CA 1.449 54.771 53.050 0.452 0.000 0.852 81 N CB -0.203 38.399 38.487 0.190 0.000 1.003 81 N HN 0.434 nan 8.380 nan 0.000 0.424 82 K N 0.477 121.091 120.400 0.355 0.000 2.097 82 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 82 K C 1.541 178.265 176.600 0.207 0.000 1.050 82 K CA 0.833 57.285 56.287 0.276 0.000 0.938 82 K CB 0.007 32.608 32.500 0.168 0.000 0.718 82 K HN 0.062 nan 8.250 nan 0.000 0.442 83 R N 0.101 120.715 120.500 0.189 0.000 2.319 83 R HA -0.005 4.335 4.340 -0.000 0.000 0.204 83 R C 0.757 177.134 176.300 0.130 0.000 0.954 83 R CA 1.039 57.203 56.100 0.106 0.000 1.066 83 R CB 0.323 30.643 30.300 0.034 0.000 0.991 83 R HN 0.229 nan 8.270 nan 0.000 0.486 84 T N -4.951 109.757 114.554 0.258 0.000 3.192 84 T HA 0.007 4.357 4.350 -0.000 0.000 0.295 84 T C 1.277 176.021 174.700 0.073 0.000 0.947 84 T CA -0.531 61.734 62.100 0.274 0.000 0.916 84 T CB 0.294 69.484 68.868 0.537 0.000 1.169 84 T HN 0.050 nan 8.240 nan 0.000 0.540 85 Q N 1.947 121.699 119.800 -0.080 0.000 2.197 85 Q HA -0.309 4.031 4.340 -0.000 0.000 0.211 85 Q C 1.787 177.213 176.000 -0.957 0.000 0.993 85 Q CA 2.578 57.866 55.803 -0.857 0.000 0.883 85 Q CB -0.404 28.088 28.738 -0.410 0.000 0.916 85 Q HN 0.680 nan 8.270 nan 0.000 0.418 86 D N -0.968 119.187 120.400 -0.408 0.000 2.178 86 D HA -0.200 4.440 4.640 -0.000 0.000 0.201 86 D C 1.591 177.737 176.300 -0.257 0.000 0.980 86 D CA 1.171 54.998 54.000 -0.289 0.000 0.842 86 D CB -0.280 40.445 40.800 -0.125 0.000 0.948 86 D HN 0.389 nan 8.370 nan 0.000 0.472 87 F N 0.655 120.409 119.950 -0.327 0.000 2.084 87 F HA -0.058 4.469 4.527 -0.000 0.000 0.296 87 F C 1.814 177.499 175.800 -0.193 0.000 1.111 87 F CA 1.830 59.711 58.000 -0.198 0.000 1.224 87 F CB -0.340 38.615 39.000 -0.075 0.000 0.991 87 F HN 0.257 nan 8.300 nan 0.000 0.471 88 W N 0.089 121.421 121.300 0.052 0.000 3.197 88 W HA 0.167 4.827 4.660 -0.000 0.000 0.274 88 W C 1.395 177.847 176.519 -0.112 0.000 1.297 88 W CA 0.744 58.025 57.345 -0.107 0.000 1.662 88 W CB -0.946 28.427 29.460 -0.146 0.000 1.106 88 W HN 0.288 nan 8.180 nan 0.000 0.663 89 E N 1.017 120.943 120.200 -0.456 0.000 2.372 89 E HA -0.011 4.339 4.350 -0.000 0.000 0.201 89 E C 1.396 177.880 176.600 -0.193 0.000 0.938 89 E CA 0.502 56.722 56.400 -0.300 0.000 0.944 89 E CB 0.377 29.685 29.700 -0.653 0.000 0.937 89 E HN 0.024 nan 8.360 nan 0.000 0.495 90 V N 0.398 120.165 119.914 -0.245 0.000 3.240 90 V HA -0.037 4.083 4.120 -0.000 0.000 0.218 90 V C 2.283 178.265 176.094 -0.186 0.000 1.190 90 V CA 0.777 62.971 62.300 -0.176 0.000 1.280 90 V CB -0.555 31.168 31.823 -0.166 0.000 1.244 90 V HN 0.170 nan 8.190 nan 0.000 0.512 91 Q N 0.047 119.701 119.800 -0.244 0.000 2.096 91 Q HA -0.189 4.151 4.340 -0.000 0.000 0.208 91 Q C 1.438 177.249 176.000 -0.315 0.000 0.993 91 Q CA 2.149 57.778 55.803 -0.289 0.000 0.862 91 Q CB -0.019 28.474 28.738 -0.409 0.000 0.915 91 Q HN 0.574 nan 8.270 nan 0.000 0.416 92 L N 0.106 121.107 121.223 -0.370 0.000 3.168 92 L HA 0.360 4.700 4.340 -0.000 0.000 0.277 92 L C 0.763 177.552 176.870 -0.134 0.000 1.245 92 L CA -0.395 54.278 54.840 -0.280 0.000 1.035 92 L CB 0.498 42.318 42.059 -0.398 0.000 1.399 92 L HN 0.196 nan 8.230 nan 0.000 0.580 93 G N 1.126 109.872 108.800 -0.089 0.000 3.185 93 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.230 93 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.230 93 G C -0.163 174.760 174.900 0.039 0.000 1.240 93 G CA 0.055 45.159 45.100 0.006 0.000 0.859 93 G HN 0.222 nan 8.290 nan 0.000 0.589 94 I N 1.994 122.629 120.570 0.108 0.000 2.493 94 I HA 0.166 4.336 4.170 -0.000 0.000 0.279 94 I C -2.064 174.178 176.117 0.209 0.000 1.045 94 I CA -1.410 59.979 61.300 0.149 0.000 1.106 94 I CB 2.057 40.160 38.000 0.172 0.000 1.216 94 I HN 0.283 nan 8.210 nan 0.000 0.459 95 P HA -0.034 nan 4.420 nan 0.000 0.264 95 P C -0.784 176.587 177.300 0.119 0.000 1.183 95 P CA 0.311 63.482 63.100 0.119 0.000 0.763 95 P CB 0.226 31.965 31.700 0.064 0.000 0.807 96 H N 3.040 122.062 119.070 -0.080 0.000 2.504 96 H HA 0.399 4.955 4.556 -0.000 0.000 0.322 96 H C -2.159 172.988 175.328 -0.302 0.000 1.055 96 H CA -2.251 53.567 56.048 -0.384 0.000 1.231 96 H CB 0.366 29.890 29.762 -0.396 0.000 1.417 96 H HN 0.220 nan 8.280 nan 0.000 0.472 97 P HA 0.096 nan 4.420 nan 0.000 0.263 97 P C -0.081 176.788 177.300 -0.719 0.000 1.276 97 P CA 0.117 62.876 63.100 -0.569 0.000 0.986 97 P CB 0.404 31.889 31.700 -0.359 0.000 1.105 98 A N 3.235 125.788 122.820 -0.445 0.000 2.247 98 A HA 0.157 4.477 4.320 -0.000 0.000 0.205 98 A C 1.721 179.183 177.584 -0.203 0.000 1.261 98 A CA 1.109 52.970 52.037 -0.293 0.000 0.853 98 A CB -0.699 18.230 19.000 -0.119 0.000 0.793 98 A HN 0.565 nan 8.150 nan 0.000 0.487 99 G N -1.639 107.035 108.800 -0.210 0.000 3.274 99 G HA2 0.243 4.203 3.960 -0.000 0.000 0.250 99 G HA3 0.243 4.203 3.960 -0.000 0.000 0.250 99 G C 0.974 175.803 174.900 -0.118 0.000 1.024 99 G CA 0.508 45.529 45.100 -0.131 0.000 0.840 99 G HN 0.411 nan 8.290 nan 0.000 0.522 100 L N 1.593 122.725 121.223 -0.153 0.000 2.265 100 L HA 0.085 4.425 4.340 -0.000 0.000 0.215 100 L C 2.557 179.379 176.870 -0.081 0.000 1.117 100 L CA 2.103 56.893 54.840 -0.085 0.000 0.782 100 L CB -0.185 41.830 42.059 -0.074 0.000 0.914 100 L HN 0.332 nan 8.230 nan 0.000 0.441 101 K N -1.249 119.087 120.400 -0.107 0.000 2.366 101 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 101 K C 1.719 178.243 176.600 -0.127 0.000 1.044 101 K CA 0.965 57.186 56.287 -0.109 0.000 0.973 101 K CB -0.224 32.218 32.500 -0.098 0.000 0.767 101 K HN 0.286 nan 8.250 nan 0.000 0.475 102 K N 0.845 121.184 120.400 -0.102 0.000 2.305 102 K HA 0.071 4.391 4.320 -0.000 0.000 0.199 102 K C 0.290 176.840 176.600 -0.083 0.000 1.047 102 K CA 0.202 56.439 56.287 -0.084 0.000 0.976 102 K CB 0.205 32.667 32.500 -0.063 0.000 0.765 102 K HN -0.022 nan 8.250 nan 0.000 0.474 103 K N 1.466 121.817 120.400 -0.080 0.000 2.286 103 K HA -0.013 4.307 4.320 -0.000 0.000 0.256 103 K C 0.924 177.466 176.600 -0.096 0.000 0.999 103 K CA 0.533 56.783 56.287 -0.061 0.000 0.908 103 K CB 0.408 32.895 32.500 -0.022 0.000 0.981 103 K HN -0.024 nan 8.250 nan 0.000 0.500 104 K N 0.202 120.560 120.400 -0.071 0.000 2.262 104 K HA 0.060 4.380 4.320 -0.000 0.000 0.200 104 K C -0.007 176.566 176.600 -0.044 0.000 1.049 104 K CA 0.558 56.801 56.287 -0.073 0.000 0.979 104 K CB 0.390 32.856 32.500 -0.057 0.000 0.773 104 K HN 0.294 nan 8.250 nan 0.000 0.474 105 S N 0.469 116.091 115.700 -0.132 0.000 2.614 105 S HA 0.320 4.790 4.470 -0.000 0.000 0.275 105 S C -1.180 173.287 174.600 -0.222 0.000 1.161 105 S CA -0.776 57.253 58.200 -0.285 0.000 0.969 105 S CB 2.415 65.261 63.200 -0.591 0.000 1.059 105 S HN -0.160 nan 8.310 nan 0.000 0.482 106 V N 3.380 123.200 119.914 -0.157 0.000 2.376 106 V HA 0.485 4.605 4.120 -0.000 0.000 0.287 106 V C 0.025 176.208 176.094 0.149 0.000 1.015 106 V CA -0.435 61.911 62.300 0.076 0.000 0.834 106 V CB 1.729 33.596 31.823 0.073 0.000 1.001 106 V HN 0.889 nan 8.190 nan 0.000 0.428 107 T N 4.290 118.994 114.554 0.250 0.000 2.907 107 T HA 0.577 4.927 4.350 -0.000 0.000 0.284 107 T C -0.231 174.506 174.700 0.061 0.000 1.004 107 T CA -0.356 61.847 62.100 0.172 0.000 1.063 107 T CB 1.826 70.786 68.868 0.154 0.000 0.992 107 T HN 0.329 nan 8.240 nan 0.000 0.483 108 V N 4.026 123.947 119.914 0.011 0.000 2.384 108 V HA 0.438 4.558 4.120 -0.000 0.000 0.287 108 V C -0.264 175.715 176.094 -0.192 0.000 1.020 108 V CA -0.727 61.425 62.300 -0.246 0.000 0.850 108 V CB 1.111 32.689 31.823 -0.408 0.000 0.987 108 V HN 0.676 nan 8.190 nan 0.000 0.436 109 L N 3.359 124.448 121.223 -0.222 0.000 2.325 109 L HA 0.543 4.883 4.340 -0.000 0.000 0.278 109 L C -0.401 176.364 176.870 -0.176 0.000 1.023 109 L CA -0.585 54.161 54.840 -0.158 0.000 0.811 109 L CB 2.090 44.076 42.059 -0.122 0.000 1.249 109 L HN 0.604 nan 8.230 nan 0.000 0.431 110 D N 1.364 121.671 120.400 -0.156 0.000 2.411 110 D HA 0.243 4.883 4.640 -0.000 0.000 0.225 110 D C 0.596 176.778 176.300 -0.196 0.000 1.156 110 D CA -0.352 53.546 54.000 -0.171 0.000 0.874 110 D CB 1.143 41.846 40.800 -0.161 0.000 1.034 110 D HN 0.280 nan 8.370 nan 0.000 0.502 111 V N 1.627 121.403 119.914 -0.231 0.000 3.578 111 V HA 0.366 4.486 4.120 -0.000 0.000 0.290 111 V C 2.009 177.748 176.094 -0.592 0.000 1.376 111 V CA 0.378 62.491 62.300 -0.311 0.000 1.083 111 V CB 0.244 31.937 31.823 -0.217 0.000 0.911 111 V HN 0.501 nan 8.190 nan 0.000 0.433 112 G N 1.223 109.671 108.800 -0.587 0.000 2.517 112 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.222 112 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.222 112 G C 1.098 175.421 174.900 -0.962 0.000 1.109 112 G CA 1.416 46.002 45.100 -0.857 0.000 0.746 112 G HN 0.624 nan 8.290 nan 0.000 0.576 113 D N 0.336 120.333 120.400 -0.672 0.000 2.350 113 D HA 0.142 4.782 4.640 -0.000 0.000 0.216 113 D C 2.515 178.500 176.300 -0.526 0.000 0.968 113 D CA 1.074 54.716 54.000 -0.597 0.000 0.894 113 D CB -0.233 40.375 40.800 -0.321 0.000 0.909 113 D HN 0.266 nan 8.370 nan 0.000 0.520 114 A N -0.229 122.190 122.820 -0.669 0.000 1.858 114 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 114 A C 1.754 179.027 177.584 -0.518 0.000 1.190 114 A CA 1.310 52.988 52.037 -0.598 0.000 0.617 114 A CB -1.186 17.316 19.000 -0.830 0.000 0.827 114 A HN 0.339 nan 8.150 nan 0.000 0.443 115 Y N -0.306 119.646 120.300 -0.581 0.000 2.181 115 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 115 Y C 2.076 178.013 175.900 0.061 0.000 1.179 115 Y CA 0.345 58.246 58.100 -0.330 0.000 1.179 115 Y CB -1.663 36.655 38.460 -0.237 0.000 0.973 115 Y HN 0.405 nan 8.280 nan 0.000 0.519 116 F N -0.157 119.825 119.950 0.053 0.000 2.549 116 F HA -0.238 4.289 4.527 -0.000 0.000 0.295 116 F C 1.954 177.805 175.800 0.085 0.000 1.124 116 F CA 0.284 58.335 58.000 0.085 0.000 1.482 116 F CB -0.167 38.865 39.000 0.053 0.000 1.108 116 F HN 0.106 nan 8.300 nan 0.000 0.602 117 S N 0.044 115.901 115.700 0.261 0.000 2.303 117 S HA -0.072 4.398 4.470 -0.000 0.000 0.207 117 S C 0.820 175.550 174.600 0.216 0.000 1.025 117 S CA 0.097 58.424 58.200 0.211 0.000 0.953 117 S CB -0.459 62.870 63.200 0.215 0.000 0.932 117 S HN 0.094 nan 8.310 nan 0.000 0.472 118 V N 6.272 126.337 119.914 0.252 0.000 2.509 118 V HA 0.172 4.292 4.120 -0.000 0.000 0.297 118 V C -2.432 173.785 176.094 0.206 0.000 1.014 118 V CA -1.733 60.707 62.300 0.234 0.000 1.127 118 V CB 0.235 32.229 31.823 0.284 0.000 0.925 118 V HN 0.196 nan 8.190 nan 0.000 0.480 119 P HA 0.209 nan 4.420 nan 0.000 0.274 119 P C -0.725 176.671 177.300 0.161 0.000 1.237 119 P CA -0.488 62.702 63.100 0.151 0.000 0.793 119 P CB 1.405 33.175 31.700 0.117 0.000 0.977 120 L N 1.642 122.963 121.223 0.163 0.000 2.334 120 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 120 L C 0.036 176.989 176.870 0.139 0.000 1.036 120 L CA -0.587 54.356 54.840 0.171 0.000 0.807 120 L CB 0.670 42.848 42.059 0.198 0.000 1.231 120 L HN 0.249 nan 8.230 nan 0.000 0.438 121 D N 2.238 122.715 120.400 0.129 0.000 2.554 121 D HA -0.131 4.509 4.640 -0.000 0.000 0.251 121 D C 1.107 177.486 176.300 0.130 0.000 1.213 121 D CA 0.646 54.715 54.000 0.115 0.000 0.900 121 D CB 0.777 41.631 40.800 0.089 0.000 1.135 121 D HN 0.674 nan 8.370 nan 0.000 0.522 122 E N 2.808 123.064 120.200 0.092 0.000 2.187 122 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 122 E C 0.706 177.336 176.600 0.050 0.000 1.004 122 E CA 1.715 58.153 56.400 0.064 0.000 0.813 122 E CB 0.100 29.828 29.700 0.047 0.000 0.736 122 E HN 0.570 nan 8.360 nan 0.000 0.468 123 D N -1.291 119.158 120.400 0.082 0.000 2.349 123 D HA -0.055 4.585 4.640 -0.000 0.000 0.215 123 D C 1.067 177.430 176.300 0.104 0.000 1.016 123 D CA 0.284 54.326 54.000 0.070 0.000 0.870 123 D CB -0.058 40.801 40.800 0.099 0.000 0.917 123 D HN 0.256 nan 8.370 nan 0.000 0.524 124 F N 1.712 121.649 119.950 -0.022 0.000 2.505 124 F HA 0.142 4.669 4.527 -0.000 0.000 0.289 124 F C 2.089 177.840 175.800 -0.082 0.000 1.101 124 F CA 0.140 58.159 58.000 0.032 0.000 1.446 124 F CB 0.234 39.199 39.000 -0.058 0.000 1.123 124 F HN -0.295 nan 8.300 nan 0.000 0.564 125 R N 1.141 121.623 120.500 -0.029 0.000 2.159 125 R HA -0.316 4.024 4.340 -0.000 0.000 0.249 125 R C 2.055 178.230 176.300 -0.209 0.000 1.136 125 R CA 2.554 58.612 56.100 -0.070 0.000 0.951 125 R CB -1.038 29.264 30.300 0.002 0.000 0.876 125 R HN 0.365 nan 8.270 nan 0.000 0.440 126 K N -0.117 120.080 120.400 -0.339 0.000 2.293 126 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 126 K C 1.183 177.511 176.600 -0.453 0.000 1.045 126 K CA 1.893 57.955 56.287 -0.375 0.000 0.933 126 K CB -0.414 31.821 32.500 -0.442 0.000 0.736 126 K HN 0.311 nan 8.250 nan 0.000 0.463 127 Y N 1.518 121.525 120.300 -0.487 0.000 2.490 127 Y HA 0.064 4.614 4.550 -0.000 0.000 0.281 127 Y C 1.748 177.450 175.900 -0.330 0.000 1.174 127 Y CA 0.728 58.440 58.100 -0.647 0.000 1.295 127 Y CB -0.053 37.748 38.460 -1.099 0.000 1.062 127 Y HN 0.326 nan 8.280 nan 0.000 0.522 128 T N -2.921 111.623 114.554 -0.018 0.000 3.069 128 T HA 0.469 4.819 4.350 -0.000 0.000 0.252 128 T C 0.973 175.926 174.700 0.421 0.000 1.053 128 T CA -0.006 62.272 62.100 0.297 0.000 0.964 128 T CB -0.415 68.683 68.868 0.384 0.000 1.005 128 T HN 0.186 nan 8.240 nan 0.000 0.532 129 A N 1.969 124.918 122.820 0.214 0.000 2.587 129 A HA 0.462 4.782 4.320 -0.000 0.000 0.235 129 A C 0.018 177.721 177.584 0.198 0.000 1.044 129 A CA -0.114 51.998 52.037 0.124 0.000 0.754 129 A CB -0.748 18.290 19.000 0.062 0.000 0.968 129 A HN 0.803 nan 8.150 nan 0.000 0.509 130 F N -0.632 119.364 119.950 0.077 0.000 2.643 130 F HA 0.812 5.339 4.527 -0.000 0.000 0.314 130 F C -0.353 175.452 175.800 0.009 0.000 1.096 130 F CA -0.883 57.136 58.000 0.033 0.000 0.953 130 F CB 1.462 40.479 39.000 0.028 0.000 1.345 130 F HN 0.293 nan 8.300 nan 0.000 0.468 131 T N 3.041 117.642 114.554 0.078 0.000 2.847 131 T HA 0.508 4.858 4.350 -0.000 0.000 0.291 131 T C -0.380 174.355 174.700 0.058 0.000 0.998 131 T CA -0.354 61.727 62.100 -0.031 0.000 0.967 131 T CB 0.997 69.836 68.868 -0.048 0.000 0.954 131 T HN 0.570 nan 8.240 nan 0.000 0.441 132 I N 6.638 127.237 120.570 0.049 0.000 2.363 132 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 132 I C -1.590 174.514 176.117 -0.021 0.000 1.075 132 I CA -2.021 59.310 61.300 0.052 0.000 1.333 132 I CB 0.693 38.744 38.000 0.085 0.000 1.415 132 I HN 0.323 nan 8.210 nan 0.000 0.502 133 P HA 0.087 nan 4.420 nan 0.000 0.274 133 P C -0.562 176.712 177.300 -0.043 0.000 1.260 133 P CA -0.281 62.796 63.100 -0.038 0.000 0.793 133 P CB 0.867 32.549 31.700 -0.030 0.000 1.048 134 S N -1.111 114.564 115.700 -0.041 0.000 2.634 134 S HA 0.603 5.073 4.470 -0.000 0.000 0.296 134 S C -0.012 174.567 174.600 -0.035 0.000 1.104 134 S CA -0.979 57.196 58.200 -0.041 0.000 0.920 134 S CB 0.668 63.843 63.200 -0.042 0.000 1.111 134 S HN 0.279 nan 8.310 nan 0.000 0.493 135 I N 2.494 123.044 120.570 -0.034 0.000 2.519 135 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 135 I C 1.551 177.653 176.117 -0.024 0.000 1.047 135 I CA -0.227 61.056 61.300 -0.029 0.000 1.381 135 I CB 0.280 38.263 38.000 -0.028 0.000 1.417 135 I HN 1.000 nan 8.210 nan 0.000 0.540 136 N N 4.344 123.032 118.700 -0.020 0.000 2.690 136 N HA -0.287 4.453 4.740 -0.000 0.000 0.249 136 N C 0.464 175.962 175.510 -0.020 0.000 1.125 136 N CA 1.113 54.153 53.050 -0.018 0.000 0.794 136 N CB -0.367 38.111 38.487 -0.015 0.000 1.152 136 N HN 0.937 nan 8.380 nan 0.000 0.571 137 N N -0.864 117.822 118.700 -0.023 0.000 2.936 137 N HA -0.191 4.548 4.740 -0.000 0.000 0.236 137 N C 0.386 175.880 175.510 -0.028 0.000 0.930 137 N CA 1.624 54.658 53.050 -0.026 0.000 0.966 137 N CB -1.315 37.158 38.487 -0.023 0.000 1.090 137 N HN 0.664 nan 8.380 nan 0.000 0.592 138 E N -0.056 120.129 120.200 -0.026 0.000 2.233 138 E HA -0.155 4.195 4.350 -0.000 0.000 0.199 138 E C 0.959 177.540 176.600 -0.031 0.000 1.004 138 E CA 1.638 58.023 56.400 -0.026 0.000 0.819 138 E CB -0.073 29.613 29.700 -0.024 0.000 0.738 138 E HN 0.715 nan 8.360 nan 0.000 0.478 139 T N -3.355 111.177 114.554 -0.036 0.000 2.901 139 T HA 0.255 4.605 4.350 -0.000 0.000 0.293 139 T C -2.059 172.611 174.700 -0.050 0.000 1.084 139 T CA -1.746 60.328 62.100 -0.043 0.000 1.008 139 T CB 2.006 70.847 68.868 -0.046 0.000 1.170 139 T HN -0.286 nan 8.240 nan 0.000 0.509 140 P HA 0.161 nan 4.420 nan 0.000 0.216 140 P C 0.830 178.082 177.300 -0.079 0.000 1.153 140 P CA 1.419 64.478 63.100 -0.069 0.000 0.848 140 P CB -0.502 31.152 31.700 -0.077 0.000 0.787 141 G N -0.201 108.544 108.800 -0.092 0.000 3.014 141 G HA2 0.079 4.039 3.960 -0.000 0.000 0.683 141 G HA3 0.079 4.039 3.960 -0.000 0.000 0.683 141 G C -1.067 173.736 174.900 -0.162 0.000 1.271 141 G CA -0.814 44.223 45.100 -0.105 0.000 0.843 141 G HN 0.086 nan 8.290 nan 0.000 0.612 142 I N 2.444 122.900 120.570 -0.190 0.000 2.474 142 I HA 0.554 4.724 4.170 -0.000 0.000 0.287 142 I C 0.870 176.702 176.117 -0.474 0.000 1.048 142 I CA -0.306 60.789 61.300 -0.340 0.000 1.383 142 I CB 1.057 38.866 38.000 -0.317 0.000 1.412 142 I HN 0.398 nan 8.210 nan 0.000 0.531 143 R N 5.740 125.850 120.500 -0.650 0.000 2.480 143 R HA 0.575 4.915 4.340 -0.000 0.000 0.306 143 R C -1.535 174.262 176.300 -0.839 0.000 0.958 143 R CA -0.876 54.847 56.100 -0.628 0.000 0.861 143 R CB 1.797 31.873 30.300 -0.374 0.000 1.171 143 R HN 0.468 nan 8.270 nan 0.000 0.445 144 Y N 0.463 120.287 120.300 -0.795 0.000 2.576 144 Y HA 0.311 4.861 4.550 -0.000 0.000 0.346 144 Y C 0.163 175.661 175.900 -0.670 0.000 1.018 144 Y CA -0.947 56.696 58.100 -0.762 0.000 1.050 144 Y CB 2.198 40.106 38.460 -0.919 0.000 1.280 144 Y HN 0.438 nan 8.280 nan 0.000 0.474 145 Q N 0.218 119.956 119.800 -0.104 0.000 2.423 145 Q HA 0.540 4.880 4.340 -0.000 0.000 0.278 145 Q C -2.015 174.032 176.000 0.078 0.000 1.097 145 Q CA -1.058 54.770 55.803 0.042 0.000 0.809 145 Q CB 2.146 30.888 28.738 0.007 0.000 1.391 145 Q HN 0.671 nan 8.270 nan 0.000 0.428 146 Y N 1.273 121.683 120.300 0.182 0.000 2.336 146 Y HA 0.182 4.731 4.550 -0.000 0.000 0.331 146 Y C 0.680 176.627 175.900 0.078 0.000 1.211 146 Y CA 0.478 58.667 58.100 0.148 0.000 1.346 146 Y CB 1.213 39.784 38.460 0.186 0.000 1.271 146 Y HN 0.798 nan 8.280 nan 0.000 0.538 147 N N 0.168 118.999 118.700 0.217 0.000 2.181 147 N HA 0.159 4.899 4.740 -0.000 0.000 0.207 147 N C -1.021 174.589 175.510 0.166 0.000 1.182 147 N CA 0.006 53.140 53.050 0.139 0.000 0.893 147 N CB 1.062 39.586 38.487 0.062 0.000 1.032 147 N HN 0.328 nan 8.380 nan 0.000 0.513 148 V N -1.898 118.158 119.914 0.237 0.000 3.158 148 V HA 0.518 4.638 4.120 -0.000 0.000 0.311 148 V C -0.419 175.855 176.094 0.301 0.000 1.181 148 V CA -1.243 61.203 62.300 0.243 0.000 1.054 148 V CB 1.446 33.398 31.823 0.216 0.000 1.085 148 V HN -0.114 nan 8.190 nan 0.000 0.446 149 L N 3.235 124.641 121.223 0.304 0.000 2.499 149 L HA 0.386 4.726 4.340 -0.000 0.000 0.273 149 L C -2.070 174.988 176.870 0.314 0.000 1.195 149 L CA -1.048 53.966 54.840 0.290 0.000 0.882 149 L CB 0.535 42.709 42.059 0.192 0.000 1.133 149 L HN 0.572 nan 8.230 nan 0.000 0.483 150 P HA 0.237 nan 4.420 nan 0.000 0.287 150 P C -1.654 175.724 177.300 0.129 0.000 1.279 150 P CA -0.905 62.155 63.100 -0.065 0.000 0.867 150 P CB 1.364 32.554 31.700 -0.849 0.000 1.127 151 Q N 0.128 120.056 119.800 0.214 0.000 2.259 151 Q HA 0.495 4.835 4.340 -0.000 0.000 0.249 151 Q C 0.908 177.080 176.000 0.287 0.000 0.914 151 Q CA -0.142 55.789 55.803 0.213 0.000 0.904 151 Q CB 0.581 29.369 28.738 0.084 0.000 1.213 151 Q HN 0.872 nan 8.270 nan 0.000 0.428 152 G N 1.350 110.298 108.800 0.246 0.000 2.259 152 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 152 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 152 G C -0.795 174.277 174.900 0.287 0.000 1.001 152 G CA -0.341 44.971 45.100 0.352 0.000 0.627 152 G HN 0.659 nan 8.290 nan 0.000 0.501 153 W N 3.716 124.893 121.300 -0.205 0.000 2.358 153 W HA 0.719 5.379 4.660 -0.000 0.000 0.307 153 W C 1.101 177.392 176.519 -0.380 0.000 1.203 153 W CA -0.978 56.070 57.345 -0.495 0.000 1.279 153 W CB 0.578 29.525 29.460 -0.854 0.000 1.264 153 W HN 0.103 nan 8.180 nan 0.000 0.474 154 K N 3.162 123.089 120.400 -0.788 0.000 2.218 154 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 154 K C 2.085 177.999 176.600 -1.142 0.000 1.046 154 K CA 1.524 57.172 56.287 -1.066 0.000 0.933 154 K CB -0.268 31.204 32.500 -1.714 0.000 0.728 154 K HN 0.746 nan 8.250 nan 0.000 0.454 155 G N 0.239 107.841 108.800 -1.996 0.000 2.498 155 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 155 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 155 G C 1.455 175.471 174.900 -1.474 0.000 1.119 155 G CA 0.600 44.548 45.100 -1.919 0.000 0.766 155 G HN 0.167 nan 8.290 nan 0.000 0.552 156 S N 0.972 115.887 115.700 -1.309 0.000 2.357 156 S HA -0.027 4.443 4.470 -0.000 0.000 0.221 156 S C 0.300 174.352 174.600 -0.913 0.000 1.031 156 S CA 1.285 58.946 58.200 -0.898 0.000 0.982 156 S CB -0.416 62.298 63.200 -0.810 0.000 0.853 156 S HN 0.373 nan 8.310 nan 0.000 0.458 157 P HA 0.059 nan 4.420 nan 0.000 0.219 157 P C 1.246 178.423 177.300 -0.205 0.000 1.150 157 P CA 1.108 63.959 63.100 -0.414 0.000 0.814 157 P CB -0.097 31.456 31.700 -0.245 0.000 0.787 158 A N 0.586 123.253 122.820 -0.256 0.000 1.883 158 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 158 A C 2.366 179.891 177.584 -0.099 0.000 1.186 158 A CA 1.632 53.582 52.037 -0.145 0.000 0.624 158 A CB -1.595 17.332 19.000 -0.121 0.000 0.822 158 A HN 0.120 nan 8.150 nan 0.000 0.444 159 I N -2.506 118.012 120.570 -0.087 0.000 2.286 159 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 159 I C 2.245 178.399 176.117 0.063 0.000 1.104 159 I CA 1.228 62.537 61.300 0.014 0.000 1.397 159 I CB -0.223 37.813 38.000 0.061 0.000 1.072 159 I HN 0.393 nan 8.210 nan 0.000 0.417 160 F N 1.818 121.696 119.950 -0.121 0.000 2.661 160 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 160 F C 2.325 178.122 175.800 -0.006 0.000 1.137 160 F CA 0.790 58.771 58.000 -0.031 0.000 1.454 160 F CB -0.239 38.780 39.000 0.031 0.000 1.103 160 F HN 0.078 nan 8.300 nan 0.000 0.577 161 Q N 0.199 120.014 119.800 0.024 0.000 2.028 161 Q HA -0.353 3.987 4.340 -0.000 0.000 0.213 161 Q C 2.456 178.362 176.000 -0.157 0.000 1.017 161 Q CA 2.836 58.619 55.803 -0.033 0.000 0.875 161 Q CB -1.001 27.721 28.738 -0.027 0.000 0.962 161 Q HN 0.557 nan 8.270 nan 0.000 0.413 162 S N 1.100 116.702 115.700 -0.163 0.000 2.434 162 S HA -0.304 4.166 4.470 -0.000 0.000 0.240 162 S C 2.108 176.530 174.600 -0.295 0.000 1.052 162 S CA 1.932 60.022 58.200 -0.183 0.000 1.198 162 S CB -1.074 62.036 63.200 -0.150 0.000 1.124 162 S HN 0.350 nan 8.310 nan 0.000 0.426 163 S N 1.535 116.936 115.700 -0.498 0.000 2.420 163 S HA -0.085 4.385 4.470 -0.000 0.000 0.237 163 S C 1.747 175.974 174.600 -0.621 0.000 1.023 163 S CA 1.651 59.457 58.200 -0.656 0.000 0.991 163 S CB -0.545 62.034 63.200 -1.035 0.000 0.792 163 S HN 0.518 nan 8.310 nan 0.000 0.488 164 M N 1.867 121.120 119.600 -0.579 0.000 2.115 164 M HA -0.004 4.476 4.480 -0.000 0.000 0.261 164 M C 2.092 178.329 176.300 -0.105 0.000 1.079 164 M CA 1.709 56.902 55.300 -0.178 0.000 1.143 164 M CB -1.522 31.107 32.600 0.049 0.000 1.332 164 M HN 0.110 nan 8.290 nan 0.000 0.421 165 T N 1.442 115.936 114.554 -0.101 0.000 2.751 165 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 165 T C 1.742 176.393 174.700 -0.083 0.000 1.045 165 T CA 1.517 63.580 62.100 -0.062 0.000 1.142 165 T CB -0.198 68.633 68.868 -0.061 0.000 0.851 165 T HN 0.308 nan 8.240 nan 0.000 0.474 166 K N 1.030 121.345 120.400 -0.142 0.000 1.995 166 K HA 0.177 4.497 4.320 -0.000 0.000 0.207 166 K C 2.247 178.722 176.600 -0.209 0.000 1.041 166 K CA 0.860 57.042 56.287 -0.176 0.000 0.942 166 K CB -0.917 31.451 32.500 -0.221 0.000 0.731 166 K HN 0.348 nan 8.250 nan 0.000 0.439 167 I N 1.589 122.017 120.570 -0.238 0.000 2.479 167 I HA -0.262 3.908 4.170 -0.000 0.000 0.258 167 I C 2.071 178.198 176.117 0.017 0.000 1.165 167 I CA 1.142 62.292 61.300 -0.251 0.000 1.422 167 I CB -0.248 37.679 38.000 -0.122 0.000 1.087 167 I HN 0.075 nan 8.210 nan 0.000 0.441 168 L N -0.527 120.718 121.223 0.038 0.000 2.477 168 L HA -0.010 4.330 4.340 -0.000 0.000 0.220 168 L C 2.389 179.333 176.870 0.123 0.000 1.106 168 L CA 0.118 55.031 54.840 0.122 0.000 0.851 168 L CB -0.326 41.777 42.059 0.073 0.000 0.994 168 L HN 0.113 nan 8.230 nan 0.000 0.462 169 E N 1.044 121.272 120.200 0.046 0.000 2.048 169 E HA -0.211 4.139 4.350 -0.000 0.000 0.202 169 E C -0.517 176.116 176.600 0.054 0.000 1.021 169 E CA 1.682 58.100 56.400 0.030 0.000 0.825 169 E CB -1.517 28.168 29.700 -0.024 0.000 0.756 169 E HN 0.308 nan 8.360 nan 0.000 0.454 170 P HA -0.106 nan 4.420 nan 0.000 0.229 170 P C 0.918 178.218 177.300 -0.000 0.000 1.150 170 P CA 0.877 64.024 63.100 0.078 0.000 0.765 170 P CB -0.161 31.675 31.700 0.228 0.000 0.783 171 F N -0.158 119.695 119.950 -0.162 0.000 2.553 171 F HA 0.151 4.678 4.527 -0.000 0.000 0.282 171 F C 1.741 177.488 175.800 -0.088 0.000 1.089 171 F CA 0.353 58.229 58.000 -0.205 0.000 1.411 171 F CB 0.296 39.140 39.000 -0.261 0.000 1.125 171 F HN -0.345 nan 8.300 nan 0.000 0.610 172 K N 0.268 120.769 120.400 0.168 0.000 2.288 172 K HA -0.054 4.266 4.320 -0.000 0.000 0.201 172 K C 1.596 178.196 176.600 -0.000 0.000 1.048 172 K CA 0.621 56.970 56.287 0.104 0.000 0.956 172 K CB -0.043 32.520 32.500 0.104 0.000 0.746 172 K HN 0.209 nan 8.250 nan 0.000 0.461 173 K N 1.176 121.559 120.400 -0.027 0.000 2.098 173 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 173 K C 2.118 178.662 176.600 -0.092 0.000 1.051 173 K CA 0.896 57.156 56.287 -0.044 0.000 0.957 173 K CB -0.099 32.384 32.500 -0.028 0.000 0.738 173 K HN 0.205 nan 8.250 nan 0.000 0.447 174 Q N 0.969 120.672 119.800 -0.162 0.000 2.050 174 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 174 Q C 0.022 175.883 176.000 -0.231 0.000 0.980 174 Q CA 1.236 56.908 55.803 -0.218 0.000 0.840 174 Q CB -0.263 28.273 28.738 -0.337 0.000 0.898 174 Q HN 0.371 nan 8.270 nan 0.000 0.424 175 N N 0.586 119.107 118.700 -0.298 0.000 3.012 175 N HA 0.194 4.934 4.740 -0.000 0.000 0.270 175 N C -2.459 172.998 175.510 -0.087 0.000 1.469 175 N CA -1.326 51.602 53.050 -0.204 0.000 0.928 175 N CB 1.119 39.439 38.487 -0.278 0.000 1.219 175 N HN -0.055 nan 8.380 nan 0.000 0.492 176 P HA -0.085 nan 4.420 nan 0.000 0.240 176 P C -0.114 177.185 177.300 -0.002 0.000 1.186 176 P CA 1.060 64.148 63.100 -0.020 0.000 0.755 176 P CB 0.283 31.969 31.700 -0.024 0.000 0.870 177 D N -1.814 118.587 120.400 0.001 0.000 2.449 177 D HA 0.138 4.778 4.640 -0.000 0.000 0.210 177 D C 0.815 177.140 176.300 0.040 0.000 1.094 177 D CA 0.071 54.080 54.000 0.015 0.000 0.846 177 D CB 0.666 41.470 40.800 0.007 0.000 1.003 177 D HN 0.230 nan 8.370 nan 0.000 0.504 178 I N 1.925 122.533 120.570 0.063 0.000 2.441 178 I HA 0.060 4.230 4.170 -0.000 0.000 0.287 178 I C 0.166 176.347 176.117 0.108 0.000 1.049 178 I CA -0.363 61.001 61.300 0.107 0.000 1.381 178 I CB 1.600 39.705 38.000 0.175 0.000 1.409 178 I HN -0.383 nan 8.210 nan 0.000 0.523 179 V N 7.796 127.770 119.914 0.101 0.000 2.481 179 V HA 0.416 4.536 4.120 -0.000 0.000 0.286 179 V C 0.117 176.290 176.094 0.131 0.000 1.042 179 V CA -0.418 61.938 62.300 0.092 0.000 0.928 179 V CB 1.630 33.487 31.823 0.058 0.000 0.986 179 V HN 0.452 nan 8.190 nan 0.000 0.462 180 I N 4.948 125.603 120.570 0.142 0.000 2.447 180 I HA 0.385 4.555 4.170 -0.000 0.000 0.287 180 I C -1.424 174.853 176.117 0.267 0.000 1.023 180 I CA -0.667 60.741 61.300 0.180 0.000 1.083 180 I CB 1.736 39.814 38.000 0.131 0.000 1.245 180 I HN 0.572 nan 8.210 nan 0.000 0.434 181 Y N 6.432 126.833 120.300 0.168 0.000 2.393 181 Y HA 0.409 4.959 4.550 -0.000 0.000 0.341 181 Y C -0.624 175.450 175.900 0.291 0.000 0.988 181 Y CA -1.128 57.090 58.100 0.196 0.000 1.078 181 Y CB 1.708 40.274 38.460 0.176 0.000 1.203 181 Y HN 0.553 nan 8.280 nan 0.000 0.453 182 Q N 6.556 126.300 119.800 -0.092 0.000 2.368 182 Q HA 0.305 4.644 4.340 -0.000 0.000 0.263 182 Q C -2.297 173.477 176.000 -0.377 0.000 1.009 182 Q CA -0.734 54.991 55.803 -0.131 0.000 0.818 182 Q CB 1.066 29.829 28.738 0.042 0.000 1.239 182 Q HN 0.812 nan 8.270 nan 0.000 0.464 183 Y N 5.845 125.945 120.300 -0.333 0.000 2.331 183 Y HA 0.342 4.892 4.550 -0.000 0.000 0.334 183 Y C 0.193 176.098 175.900 0.009 0.000 0.960 183 Y CA -0.483 57.468 58.100 -0.249 0.000 1.130 183 Y CB 1.035 39.327 38.460 -0.281 0.000 1.164 183 Y HN 1.038 nan 8.280 nan 0.000 0.458 184 M N 1.998 121.376 119.600 -0.370 0.000 7.319 184 M HA -0.398 4.082 4.480 -0.000 0.000 0.305 184 M C 0.188 176.555 176.300 0.111 0.000 0.480 184 M CA 2.497 57.715 55.300 -0.137 0.000 1.311 184 M CB -0.922 31.766 32.600 0.146 0.000 0.421 184 M HN 0.775 nan 8.290 nan 0.000 0.673 185 D N 0.810 121.319 120.400 0.182 0.000 2.342 185 D HA 0.199 4.839 4.640 -0.000 0.000 0.221 185 D C -0.580 175.718 176.300 -0.004 0.000 1.101 185 D CA 0.283 54.339 54.000 0.094 0.000 0.837 185 D CB -0.127 40.672 40.800 -0.002 0.000 0.938 185 D HN 0.408 nan 8.370 nan 0.000 0.508 186 D N 0.669 121.118 120.400 0.082 0.000 2.340 186 D HA 0.342 4.982 4.640 -0.000 0.000 0.240 186 D C -0.341 175.952 176.300 -0.012 0.000 1.001 186 D CA -0.611 53.372 54.000 -0.029 0.000 0.888 186 D CB 2.545 43.277 40.800 -0.114 0.000 1.310 186 D HN -0.167 nan 8.370 nan 0.000 0.474 187 L N 1.448 122.596 121.223 -0.125 0.000 2.313 187 L HA 0.289 4.629 4.340 -0.000 0.000 0.283 187 L C -1.056 175.742 176.870 -0.119 0.000 1.013 187 L CA -0.632 54.189 54.840 -0.031 0.000 0.816 187 L CB 0.760 42.794 42.059 -0.041 0.000 1.236 187 L HN 0.270 nan 8.230 nan 0.000 0.419 188 Y N 3.549 123.894 120.300 0.075 0.000 2.593 188 Y HA 0.420 4.970 4.550 -0.000 0.000 0.331 188 Y C -0.020 175.956 175.900 0.126 0.000 0.986 188 Y CA -0.841 57.334 58.100 0.125 0.000 1.262 188 Y CB 1.101 39.682 38.460 0.202 0.000 1.098 188 Y HN 0.184 nan 8.280 nan 0.000 0.506 189 V N 3.312 123.324 119.914 0.163 0.000 2.408 189 V HA 0.598 4.718 4.120 -0.000 0.000 0.267 189 V C 0.690 176.891 176.094 0.178 0.000 1.047 189 V CA -0.557 61.820 62.300 0.128 0.000 0.937 189 V CB 0.709 32.544 31.823 0.020 0.000 0.999 189 V HN 0.849 nan 8.190 nan 0.000 0.472 190 G N 3.337 112.244 108.800 0.178 0.000 2.432 190 G HA2 0.757 4.716 3.960 -0.000 0.000 0.331 190 G HA3 0.757 4.716 3.960 -0.000 0.000 0.331 190 G C -0.520 174.496 174.900 0.194 0.000 1.170 190 G CA -0.191 45.023 45.100 0.189 0.000 0.943 190 G HN 1.046 nan 8.290 nan 0.000 0.483 191 S N -0.411 115.423 115.700 0.223 0.000 2.558 191 S HA 0.327 4.797 4.470 -0.000 0.000 0.277 191 S C -0.914 173.754 174.600 0.114 0.000 1.143 191 S CA -0.789 57.524 58.200 0.189 0.000 0.865 191 S CB 2.056 65.427 63.200 0.286 0.000 1.102 191 S HN 0.359 nan 8.310 nan 0.000 0.454 192 D N 1.546 121.987 120.400 0.069 0.000 2.325 192 D HA 0.250 4.890 4.640 -0.000 0.000 0.225 192 D C 0.938 177.260 176.300 0.035 0.000 1.096 192 D CA 0.050 54.066 54.000 0.028 0.000 0.844 192 D CB -0.022 40.784 40.800 0.010 0.000 0.925 192 D HN 0.468 nan 8.370 nan 0.000 0.513 193 L N 0.451 121.723 121.223 0.082 0.000 2.367 193 L HA 0.083 4.423 4.340 -0.000 0.000 0.215 193 L C 1.010 177.911 176.870 0.051 0.000 1.197 193 L CA 0.191 55.079 54.840 0.080 0.000 0.836 193 L CB 0.225 42.365 42.059 0.135 0.000 1.242 193 L HN -0.175 nan 8.230 nan 0.000 0.553 194 E N -0.217 120.015 120.200 0.053 0.000 2.191 194 E HA 0.207 4.557 4.350 -0.000 0.000 0.278 194 E C 1.046 177.680 176.600 0.056 0.000 0.972 194 E CA -0.416 56.002 56.400 0.029 0.000 0.804 194 E CB 1.708 31.419 29.700 0.018 0.000 1.110 194 E HN 0.402 nan 8.360 nan 0.000 0.394 195 I N 2.104 122.690 120.570 0.027 0.000 2.178 195 I HA -0.402 3.767 4.170 -0.000 0.000 0.243 195 I C 2.171 178.345 176.117 0.094 0.000 1.019 195 I CA 1.871 63.203 61.300 0.053 0.000 1.294 195 I CB -0.720 37.292 38.000 0.020 0.000 0.996 195 I HN 0.748 nan 8.210 nan 0.000 0.415 196 G N -0.290 108.546 108.800 0.060 0.000 2.440 196 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 196 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 196 G C 1.551 176.494 174.900 0.071 0.000 1.154 196 G CA 0.815 45.949 45.100 0.056 0.000 0.767 196 G HN 0.507 nan 8.290 nan 0.000 0.552 197 Q N -0.918 118.929 119.800 0.079 0.000 2.049 197 Q HA -0.046 4.293 4.340 -0.000 0.000 0.198 197 Q C 2.250 178.317 176.000 0.111 0.000 0.971 197 Q CA 1.115 56.964 55.803 0.077 0.000 0.833 197 Q CB -0.269 28.508 28.738 0.065 0.000 0.896 197 Q HN 0.696 nan 8.270 nan 0.000 0.434 198 H N 1.316 120.409 119.070 0.040 0.000 2.265 198 H HA -0.160 4.396 4.556 -0.000 0.000 0.293 198 H C 1.960 177.319 175.328 0.052 0.000 1.089 198 H CA 2.218 58.296 56.048 0.050 0.000 1.244 198 H CB 0.150 29.942 29.762 0.051 0.000 1.355 198 H HN 0.023 nan 8.280 nan 0.000 0.485 199 R N -0.896 119.706 120.500 0.169 0.000 2.159 199 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 199 R C 2.340 178.660 176.300 0.033 0.000 1.131 199 R CA 1.700 57.850 56.100 0.084 0.000 0.982 199 R CB -0.236 30.119 30.300 0.092 0.000 0.868 199 R HN 0.375 nan 8.270 nan 0.000 0.453 200 T N 0.556 115.135 114.554 0.041 0.000 2.809 200 T HA -0.033 4.317 4.350 -0.000 0.000 0.260 200 T C 1.608 176.329 174.700 0.036 0.000 1.039 200 T CA 0.724 62.845 62.100 0.035 0.000 1.141 200 T CB 0.037 68.928 68.868 0.038 0.000 0.869 200 T HN 0.020 nan 8.240 nan 0.000 0.437 201 K N 1.079 121.494 120.400 0.026 0.000 2.147 201 K HA 0.047 4.367 4.320 -0.000 0.000 0.205 201 K C 2.117 178.766 176.600 0.081 0.000 1.049 201 K CA 0.685 57.016 56.287 0.073 0.000 0.936 201 K CB -0.457 32.072 32.500 0.049 0.000 0.722 201 K HN 0.322 nan 8.250 nan 0.000 0.446 202 I N 0.676 121.215 120.570 -0.051 0.000 2.286 202 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 202 I C 2.182 178.286 176.117 -0.021 0.000 1.104 202 I CA 1.103 62.356 61.300 -0.078 0.000 1.397 202 I CB -0.943 36.988 38.000 -0.115 0.000 1.072 202 I HN 0.135 nan 8.210 nan 0.000 0.417 203 E N 1.262 121.466 120.200 0.008 0.000 2.268 203 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 203 E C 2.018 178.653 176.600 0.057 0.000 0.995 203 E CA 1.140 57.554 56.400 0.023 0.000 0.836 203 E CB -0.016 29.698 29.700 0.024 0.000 0.763 203 E HN 0.428 nan 8.360 nan 0.000 0.491 204 E N -0.685 119.576 120.200 0.103 0.000 2.028 204 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 204 E C 1.866 178.610 176.600 0.240 0.000 0.984 204 E CA 0.902 57.416 56.400 0.190 0.000 0.800 204 E CB -0.147 29.704 29.700 0.251 0.000 0.758 204 E HN 0.219 nan 8.360 nan 0.000 0.448 205 L N 1.563 122.863 121.223 0.128 0.000 2.012 205 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 205 L C 2.112 178.948 176.870 -0.056 0.000 1.073 205 L CA 1.717 56.415 54.840 -0.236 0.000 0.748 205 L CB -0.407 41.317 42.059 -0.559 0.000 0.891 205 L HN -0.003 nan 8.230 nan 0.000 0.431 206 R N -0.545 119.935 120.500 -0.032 0.000 2.103 206 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 206 R C 2.142 178.453 176.300 0.019 0.000 1.142 206 R CA 1.454 57.544 56.100 -0.017 0.000 0.960 206 R CB -0.741 29.549 30.300 -0.017 0.000 0.858 206 R HN 0.544 nan 8.270 nan 0.000 0.439 207 Q N -0.644 119.188 119.800 0.054 0.000 2.187 207 Q HA -0.117 4.223 4.340 -0.000 0.000 0.199 207 Q C 1.961 178.014 176.000 0.088 0.000 0.957 207 Q CA 1.197 57.033 55.803 0.055 0.000 0.857 207 Q CB -0.406 28.368 28.738 0.059 0.000 0.929 207 Q HN 0.507 nan 8.270 nan 0.000 0.453 208 H N 1.148 120.260 119.070 0.069 0.000 2.270 208 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 208 H C 2.028 177.450 175.328 0.156 0.000 1.077 208 H CA 1.781 57.913 56.048 0.140 0.000 1.294 208 H CB -0.371 29.531 29.762 0.233 0.000 1.371 208 H HN 0.085 nan 8.280 nan 0.000 0.491 209 L N -0.441 120.812 121.223 0.049 0.000 2.051 209 L HA -0.205 4.135 4.340 -0.000 0.000 0.214 209 L C 2.544 179.415 176.870 0.000 0.000 1.076 209 L CA 1.321 56.165 54.840 0.006 0.000 0.758 209 L CB -0.581 41.484 42.059 0.010 0.000 0.890 209 L HN 0.322 nan 8.230 nan 0.000 0.433 210 L N -0.378 120.836 121.223 -0.016 0.000 2.201 210 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 210 L C 2.612 179.445 176.870 -0.061 0.000 1.105 210 L CA 1.509 56.334 54.840 -0.026 0.000 0.775 210 L CB -0.485 41.558 42.059 -0.025 0.000 0.913 210 L HN 0.077 nan 8.230 nan 0.000 0.440 211 R N -1.975 118.444 120.500 -0.135 0.000 2.119 211 R HA -0.103 4.237 4.340 -0.000 0.000 0.222 211 R C 0.965 177.073 176.300 -0.320 0.000 1.088 211 R CA 1.330 57.267 56.100 -0.273 0.000 0.984 211 R CB -0.302 29.746 30.300 -0.421 0.000 0.884 211 R HN 0.401 nan 8.270 nan 0.000 0.447 212 W N 1.041 122.253 121.300 -0.146 0.000 3.387 212 W HA 0.231 4.891 4.660 -0.000 0.000 0.403 212 W C 0.160 176.648 176.519 -0.051 0.000 1.073 212 W CA 0.106 57.381 57.345 -0.117 0.000 1.866 212 W CB 0.500 29.842 29.460 -0.197 0.000 0.981 212 W HN 0.182 nan 8.180 nan 0.000 0.802 213 G N 0.670 109.549 108.800 0.131 0.000 2.662 213 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.558 213 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.558 213 G C 0.206 175.150 174.900 0.074 0.000 1.081 213 G CA -0.726 44.441 45.100 0.112 0.000 1.261 213 G HN 0.357 nan 8.290 nan 0.000 0.559 214 L N -0.708 120.536 121.223 0.035 0.000 4.480 214 L HA -0.250 4.090 4.340 -0.000 0.000 0.497 214 L C 1.677 178.546 176.870 -0.001 0.000 0.976 214 L CA 1.548 56.396 54.840 0.014 0.000 0.966 214 L CB -1.039 41.032 42.059 0.020 0.000 1.767 214 L HN 0.635 nan 8.230 nan 0.000 1.141 215 T N 0.294 114.856 114.554 0.013 0.000 3.826 215 T HA 0.069 4.419 4.350 -0.000 0.000 0.239 215 T C 0.837 175.513 174.700 -0.039 0.000 1.007 215 T CA 0.598 62.690 62.100 -0.014 0.000 1.171 215 T CB -0.221 68.668 68.868 0.035 0.000 1.153 215 T HN 0.292 nan 8.240 nan 0.000 0.854 216 T N 4.352 118.870 114.554 -0.059 0.000 2.728 216 T HA 0.471 4.821 4.350 -0.000 0.000 0.296 216 T C -2.308 172.341 174.700 -0.084 0.000 0.940 216 T CA -1.726 60.339 62.100 -0.059 0.000 1.013 216 T CB 0.758 69.598 68.868 -0.047 0.000 0.912 216 T HN 0.188 nan 8.240 nan 0.000 0.484 217 P HA 0.678 nan 4.420 nan 0.000 0.349 217 P C -0.927 176.330 177.300 -0.072 0.000 1.263 217 P CA -0.554 62.492 63.100 -0.089 0.000 0.783 217 P CB 1.093 32.740 31.700 -0.088 0.000 1.657 232 Y N 2.214 122.492 120.300 -0.037 0.000 2.315 232 Y HA 0.445 4.995 4.550 -0.000 0.000 0.324 232 Y C -0.383 175.511 175.900 -0.010 0.000 1.062 232 Y CA -0.884 57.203 58.100 -0.022 0.000 1.159 232 Y CB 1.607 40.046 38.460 -0.036 0.000 1.145 232 Y HN 0.383 nan 8.280 nan 0.000 0.442 233 E N 7.320 127.430 120.200 -0.150 0.000 2.104 233 E HA 0.217 4.567 4.350 -0.000 0.000 0.278 233 E C -0.737 175.680 176.600 -0.305 0.000 1.127 233 E CA 0.229 56.520 56.400 -0.182 0.000 0.897 233 E CB 0.845 30.465 29.700 -0.133 0.000 1.043 233 E HN 0.641 nan 8.360 nan 0.000 0.410 234 L N 2.544 123.580 121.223 -0.312 0.000 2.303 234 L HA 0.442 4.782 4.340 -0.000 0.000 0.266 234 L C 0.130 176.515 176.870 -0.808 0.000 1.011 234 L CA -0.870 53.798 54.840 -0.286 0.000 0.818 234 L CB 1.566 43.693 42.059 0.114 0.000 1.326 234 L HN 0.443 nan 8.230 nan 0.000 0.435 235 H N 0.498 119.412 119.070 -0.260 0.000 2.699 235 H HA 0.171 4.727 4.556 -0.000 0.000 0.256 235 H C -2.229 172.530 175.328 -0.948 0.000 1.376 235 H CA -1.432 54.356 56.048 -0.432 0.000 1.549 235 H CB 1.392 31.020 29.762 -0.224 0.000 1.686 235 H HN 0.258 nan 8.280 nan 0.000 0.550 236 P HA -0.180 nan 4.420 nan 0.000 0.216 236 P C 1.421 178.385 177.300 -0.560 0.000 1.153 236 P CA 1.412 63.748 63.100 -1.273 0.000 0.858 236 P CB 0.316 31.598 31.700 -0.697 0.000 0.789 237 D N -0.897 119.311 120.400 -0.321 0.000 2.403 237 D HA -0.155 4.485 4.640 -0.000 0.000 0.227 237 D C 0.985 177.239 176.300 -0.077 0.000 0.995 237 D CA 0.899 54.813 54.000 -0.144 0.000 0.928 237 D CB -0.273 40.462 40.800 -0.108 0.000 0.887 237 D HN 0.201 nan 8.370 nan 0.000 0.529 238 K N -0.509 119.840 120.400 -0.085 0.000 2.380 238 K HA 0.034 4.354 4.320 -0.000 0.000 0.198 238 K C 0.406 177.147 176.600 0.235 0.000 1.070 238 K CA -0.279 56.041 56.287 0.055 0.000 1.040 238 K CB 0.089 32.632 32.500 0.072 0.000 0.903 238 K HN 0.142 nan 8.250 nan 0.000 0.549 239 W N 4.779 126.104 121.300 0.042 0.000 1.224 239 W HA 0.059 4.719 4.660 -0.000 0.000 0.503 239 W C 0.694 177.224 176.519 0.018 0.000 0.592 239 W CA -0.535 56.834 57.345 0.039 0.000 2.414 239 W CB -1.746 27.734 29.460 0.034 0.000 1.352 239 W HN -0.060 nan 8.180 nan 0.000 0.226 240 T N -2.779 111.901 114.554 0.211 0.000 2.770 240 T HA 0.486 4.836 4.350 -0.000 0.000 0.281 240 T C 0.978 175.733 174.700 0.092 0.000 0.981 240 T CA -0.902 61.271 62.100 0.122 0.000 0.955 240 T CB 1.008 69.927 68.868 0.085 0.000 1.060 240 T HN -0.131 nan 8.240 nan 0.000 0.531 241 V N 0.896 120.852 119.914 0.069 0.000 4.056 241 V HA 0.134 4.254 4.120 -0.000 0.000 0.293 241 V C 0.753 176.867 176.094 0.033 0.000 1.051 241 V CA 0.146 62.479 62.300 0.054 0.000 1.099 241 V CB -0.264 31.597 31.823 0.062 0.000 1.176 241 V HN 1.069 nan 8.190 nan 0.000 0.469 242 Q N 0.732 120.548 119.800 0.026 0.000 3.449 242 Q HA 0.294 4.634 4.340 -0.000 0.000 0.272 242 Q C -2.667 173.346 176.000 0.022 0.000 0.787 242 Q CA -1.024 54.780 55.803 0.001 0.000 0.904 242 Q CB 0.536 29.241 28.738 -0.055 0.000 1.536 242 Q HN 0.655 nan 8.270 nan 0.000 0.387 243 P HA 0.065 nan 4.420 nan 0.000 0.265 243 P C -0.174 177.107 177.300 -0.032 0.000 1.193 243 P CA -0.092 63.036 63.100 0.048 0.000 0.765 243 P CB 0.680 32.413 31.700 0.056 0.000 0.823 244 I N 2.684 123.195 120.570 -0.098 0.000 2.948 244 I HA -0.005 4.164 4.170 -0.000 0.000 0.290 244 I C 0.918 176.925 176.117 -0.183 0.000 1.226 244 I CA 0.101 61.232 61.300 -0.281 0.000 1.413 244 I CB -0.073 37.556 38.000 -0.619 0.000 1.352 244 I HN 0.213 nan 8.210 nan 0.000 0.597 245 V N 4.464 124.269 119.914 -0.181 0.000 2.540 245 V HA 0.626 4.746 4.120 -0.000 0.000 0.302 245 V C -0.536 175.537 176.094 -0.035 0.000 1.035 245 V CA -0.872 61.380 62.300 -0.080 0.000 0.873 245 V CB 1.399 33.190 31.823 -0.054 0.000 0.992 245 V HN 0.545 nan 8.190 nan 0.000 0.428 246 L N 5.839 127.076 121.223 0.022 0.000 2.357 246 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 246 L C -2.003 174.924 176.870 0.095 0.000 1.080 246 L CA -1.508 53.386 54.840 0.090 0.000 0.803 246 L CB 2.036 44.166 42.059 0.119 0.000 1.174 246 L HN 0.559 nan 8.230 nan 0.000 0.443 247 P HA 0.216 nan 4.420 nan 0.000 0.270 247 P C -0.936 176.432 177.300 0.115 0.000 1.551 247 P CA -0.478 62.660 63.100 0.062 0.000 1.049 247 P CB 1.157 32.852 31.700 -0.008 0.000 1.397 248 E N 3.743 124.035 120.200 0.153 0.000 2.290 248 E HA 0.183 4.533 4.350 -0.000 0.000 0.277 248 E C -0.312 176.333 176.600 0.074 0.000 1.035 248 E CA -0.164 56.404 56.400 0.279 0.000 0.873 248 E CB 0.649 30.483 29.700 0.224 0.000 1.029 248 E HN 0.278 nan 8.360 nan 0.000 0.419 249 K N 3.229 123.623 120.400 -0.011 0.000 2.312 249 K HA 0.378 4.698 4.320 -0.000 0.000 0.236 249 K C -0.147 176.452 176.600 -0.002 0.000 1.079 249 K CA -0.911 55.232 56.287 -0.240 0.000 0.900 249 K CB 0.739 32.784 32.500 -0.759 0.000 1.297 249 K HN 0.324 nan 8.250 nan 0.000 0.498 250 D N 0.491 120.853 120.400 -0.064 0.000 2.202 250 D HA -0.052 4.588 4.640 -0.000 0.000 0.214 250 D C 0.626 176.986 176.300 0.100 0.000 0.967 250 D CA 1.012 55.039 54.000 0.045 0.000 0.871 250 D CB -0.004 40.799 40.800 0.005 0.000 1.020 250 D HN 0.500 nan 8.370 nan 0.000 0.474 251 S N -0.865 114.822 115.700 -0.023 0.000 2.638 251 S HA 0.577 5.047 4.470 -0.000 0.000 0.298 251 S C -1.145 173.393 174.600 -0.103 0.000 1.111 251 S CA -0.834 57.396 58.200 0.049 0.000 1.027 251 S CB 1.437 64.642 63.200 0.008 0.000 1.064 251 S HN 0.178 nan 8.310 nan 0.000 0.525 252 W N 0.855 122.158 121.300 0.004 0.000 2.884 252 W HA 0.458 5.118 4.660 -0.000 0.000 0.336 252 W C 0.248 176.770 176.519 0.005 0.000 1.038 252 W CA -0.528 56.820 57.345 0.005 0.000 1.247 252 W CB 1.467 30.931 29.460 0.006 0.000 1.351 252 W HN 0.966 nan 8.180 nan 0.000 0.446 253 T N -1.898 112.753 114.554 0.162 0.000 2.824 253 T HA 0.295 4.645 4.350 -0.000 0.000 0.277 253 T C 0.976 175.757 174.700 0.136 0.000 0.975 253 T CA -0.606 61.561 62.100 0.111 0.000 0.966 253 T CB 1.022 69.919 68.868 0.049 0.000 1.054 253 T HN 0.172 nan 8.240 nan 0.000 0.533 254 V N 1.454 121.422 119.914 0.090 0.000 2.287 254 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 254 V C 2.887 179.033 176.094 0.086 0.000 1.053 254 V CA 2.251 64.599 62.300 0.079 0.000 1.027 254 V CB -1.294 30.560 31.823 0.051 0.000 0.646 254 V HN 1.002 nan 8.190 nan 0.000 0.447 255 N N 0.314 119.056 118.700 0.069 0.000 2.007 255 N HA -0.274 4.466 4.740 -0.000 0.000 0.197 255 N C 1.607 177.170 175.510 0.089 0.000 1.050 255 N CA 2.159 55.246 53.050 0.061 0.000 0.856 255 N CB -0.240 38.269 38.487 0.036 0.000 1.050 255 N HN 0.490 nan 8.380 nan 0.000 0.423 256 D N 0.839 121.300 120.400 0.102 0.000 2.149 256 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 256 D C 2.058 178.530 176.300 0.286 0.000 1.001 256 D CA 1.087 55.175 54.000 0.146 0.000 0.849 256 D CB -0.352 40.497 40.800 0.081 0.000 0.939 256 D HN 0.503 nan 8.370 nan 0.000 0.449 257 I N 0.852 121.595 120.570 0.288 0.000 2.394 257 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 257 I C 2.517 178.710 176.117 0.126 0.000 1.136 257 I CA 0.881 62.309 61.300 0.214 0.000 1.425 257 I CB -0.243 37.834 38.000 0.127 0.000 1.079 257 I HN -0.016 nan 8.210 nan 0.000 0.425 258 Q N 1.006 120.868 119.800 0.103 0.000 2.016 258 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 258 Q C 2.220 178.265 176.000 0.075 0.000 0.978 258 Q CA 1.277 57.121 55.803 0.070 0.000 0.833 258 Q CB -0.169 28.602 28.738 0.055 0.000 0.895 258 Q HN 0.457 nan 8.270 nan 0.000 0.427 259 K N 0.547 121.000 120.400 0.087 0.000 2.063 259 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 259 K C 2.156 178.823 176.600 0.111 0.000 1.048 259 K CA 0.996 57.333 56.287 0.083 0.000 0.928 259 K CB -0.282 32.262 32.500 0.074 0.000 0.713 259 K HN 0.096 nan 8.250 nan 0.000 0.442 260 L N 1.201 122.520 121.223 0.159 0.000 2.017 260 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 260 L C 2.038 178.971 176.870 0.105 0.000 1.073 260 L CA 1.523 56.471 54.840 0.179 0.000 0.745 260 L CB -0.405 41.807 42.059 0.256 0.000 0.894 260 L HN -0.128 nan 8.230 nan 0.000 0.432 261 V N 0.338 120.296 119.914 0.073 0.000 2.626 261 V HA -0.155 3.964 4.120 -0.000 0.000 0.252 261 V C 2.582 178.696 176.094 0.034 0.000 1.067 261 V CA 1.476 63.798 62.300 0.037 0.000 1.081 261 V CB -1.488 30.349 31.823 0.024 0.000 0.686 261 V HN 0.656 nan 8.190 nan 0.000 0.468 262 G N 0.173 109.001 108.800 0.047 0.000 2.404 262 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 262 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 262 G C 1.646 176.558 174.900 0.020 0.000 1.174 262 G CA 0.691 45.814 45.100 0.038 0.000 0.780 262 G HN 0.488 nan 8.290 nan 0.000 0.537 263 K N -0.035 120.383 120.400 0.031 0.000 2.155 263 K HA 0.164 4.484 4.320 -0.000 0.000 0.203 263 K C 2.477 178.982 176.600 -0.158 0.000 1.052 263 K CA 0.434 56.703 56.287 -0.029 0.000 0.948 263 K CB -0.211 32.455 32.500 0.276 0.000 0.728 263 K HN 0.251 nan 8.250 nan 0.000 0.448 264 L N 1.388 122.605 121.223 -0.011 0.000 2.056 264 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 264 L C 2.298 179.130 176.870 -0.064 0.000 1.078 264 L CA 0.839 55.668 54.840 -0.018 0.000 0.749 264 L CB -0.463 41.609 42.059 0.020 0.000 0.901 264 L HN 0.309 nan 8.230 nan 0.000 0.433 265 N N -0.834 117.838 118.700 -0.046 0.000 2.550 265 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 265 N C 1.579 177.027 175.510 -0.104 0.000 1.110 265 N CA 0.611 53.626 53.050 -0.058 0.000 0.912 265 N CB 0.132 38.602 38.487 -0.028 0.000 0.968 265 N HN 0.387 nan 8.380 nan 0.000 0.448 266 W N 0.823 121.919 121.300 -0.340 0.000 2.640 266 W HA 0.346 5.006 4.660 -0.000 0.000 0.271 266 W C 2.303 178.510 176.519 -0.520 0.000 1.218 266 W CA 0.894 57.968 57.345 -0.450 0.000 1.382 266 W CB -0.237 28.829 29.460 -0.656 0.000 1.067 266 W HN 0.060 nan 8.180 nan 0.000 0.590 267 A N 0.033 122.605 122.820 -0.413 0.000 2.070 267 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 267 A C 1.869 179.484 177.584 0.053 0.000 1.159 267 A CA 2.002 53.960 52.037 -0.132 0.000 0.656 267 A CB -1.268 17.754 19.000 0.037 0.000 0.800 267 A HN 0.279 nan 8.150 nan 0.000 0.453 268 S N -0.651 115.001 115.700 -0.080 0.000 2.595 268 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 268 S C 1.394 175.909 174.600 -0.142 0.000 0.974 268 S CA 0.965 59.131 58.200 -0.058 0.000 0.942 268 S CB -0.286 62.862 63.200 -0.087 0.000 0.766 268 S HN 0.729 nan 8.310 nan 0.000 0.536 269 Q N -0.193 119.453 119.800 -0.256 0.000 2.392 269 Q HA 0.342 4.682 4.340 -0.000 0.000 0.203 269 Q C 1.370 177.261 176.000 -0.182 0.000 0.917 269 Q CA 0.477 56.024 55.803 -0.427 0.000 0.939 269 Q CB 0.061 28.279 28.738 -0.866 0.000 1.063 269 Q HN 0.646 nan 8.270 nan 0.000 0.516 270 I N -1.723 118.888 120.570 0.068 0.000 3.518 270 I HA 0.034 4.204 4.170 -0.000 0.000 0.260 270 I C -0.186 175.958 176.117 0.045 0.000 1.148 270 I CA -0.002 61.385 61.300 0.144 0.000 1.440 270 I CB 0.509 38.710 38.000 0.335 0.000 1.485 270 I HN -0.046 nan 8.210 nan 0.000 0.456 271 Y N 2.003 122.365 120.300 0.102 0.000 2.308 271 Y HA 0.247 4.797 4.550 -0.000 0.000 0.329 271 Y C -1.714 174.215 175.900 0.047 0.000 1.111 271 Y CA -2.192 55.964 58.100 0.093 0.000 1.179 271 Y CB -0.015 38.519 38.460 0.123 0.000 1.201 271 Y HN -0.075 nan 8.280 nan 0.000 0.483 272 P HA -0.060 nan 4.420 nan 0.000 0.208 272 P C 1.296 178.654 177.300 0.097 0.000 1.203 272 P CA 1.504 64.666 63.100 0.104 0.000 0.920 272 P CB 0.147 31.906 31.700 0.099 0.000 0.769 273 G N -0.303 108.566 108.800 0.115 0.000 3.079 273 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.205 273 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.205 273 G C 0.309 175.251 174.900 0.070 0.000 1.203 273 G CA -0.025 45.125 45.100 0.083 0.000 0.929 273 G HN 0.244 nan 8.290 nan 0.000 0.498 274 I N 1.593 122.209 120.570 0.077 0.000 2.282 274 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 274 I C 0.090 176.218 176.117 0.018 0.000 1.090 274 I CA -0.383 60.945 61.300 0.047 0.000 1.231 274 I CB 0.550 38.584 38.000 0.057 0.000 1.434 274 I HN 0.177 nan 8.210 nan 0.000 0.487 275 K N 5.141 125.546 120.400 0.008 0.000 2.207 275 K HA 0.565 4.885 4.320 -0.000 0.000 0.255 275 K C 0.290 176.883 176.600 -0.013 0.000 0.941 275 K CA -0.792 55.491 56.287 -0.006 0.000 0.825 275 K CB 2.561 35.058 32.500 -0.005 0.000 1.119 275 K HN 0.324 nan 8.250 nan 0.000 0.430 276 V N -1.829 118.074 119.914 -0.018 0.000 3.548 276 V HA 0.146 4.266 4.120 -0.000 0.000 0.279 276 V C 1.252 177.332 176.094 -0.024 0.000 1.446 276 V CA -0.356 61.931 62.300 -0.022 0.000 1.023 276 V CB 0.130 31.942 31.823 -0.019 0.000 0.820 276 V HN 0.671 nan 8.190 nan 0.000 0.438 277 R N 1.345 121.832 120.500 -0.021 0.000 2.388 277 R HA -0.177 4.163 4.340 -0.000 0.000 0.233 277 R C 1.993 178.279 176.300 -0.023 0.000 1.156 277 R CA 1.780 57.868 56.100 -0.020 0.000 1.036 277 R CB -0.674 29.615 30.300 -0.018 0.000 0.847 277 R HN 0.738 nan 8.270 nan 0.000 0.483 278 Q N 0.271 120.054 119.800 -0.027 0.000 2.212 278 Q HA 0.057 4.397 4.340 -0.000 0.000 0.199 278 Q C 1.799 177.773 176.000 -0.043 0.000 0.950 278 Q CA 1.065 56.848 55.803 -0.033 0.000 0.863 278 Q CB 0.037 28.754 28.738 -0.035 0.000 0.944 278 Q HN 0.336 nan 8.270 nan 0.000 0.465 279 L N -0.736 120.459 121.223 -0.048 0.000 2.477 279 L HA 0.012 4.352 4.340 -0.000 0.000 0.220 279 L C 1.555 178.401 176.870 -0.040 0.000 1.106 279 L CA 0.020 54.823 54.840 -0.061 0.000 0.851 279 L CB 0.099 42.113 42.059 -0.076 0.000 0.994 279 L HN 0.328 nan 8.230 nan 0.000 0.462 280 C N -0.084 119.200 119.300 -0.027 0.000 2.449 280 C HA -0.097 4.363 4.460 -0.000 0.000 0.283 280 C C 1.916 176.898 174.990 -0.014 0.000 1.453 280 C CA 0.360 59.368 59.018 -0.015 0.000 1.779 280 C CB -1.103 26.629 27.740 -0.013 0.000 1.779 280 C HN 0.335 nan 8.230 nan 0.000 0.546 281 K N 0.587 120.975 120.400 -0.020 0.000 2.627 281 K HA 0.257 4.577 4.320 -0.000 0.000 0.212 281 K C 0.674 177.264 176.600 -0.017 0.000 1.041 281 K CA 0.226 56.503 56.287 -0.017 0.000 1.205 281 K CB 0.022 32.510 32.500 -0.019 0.000 0.936 281 K HN 0.524 nan 8.250 nan 0.000 0.489 282 L N -0.061 121.152 121.223 -0.016 0.000 2.966 282 L HA 0.186 4.525 4.340 -0.000 0.000 0.262 282 L C 0.888 177.760 176.870 0.003 0.000 1.165 282 L CA 0.140 54.973 54.840 -0.013 0.000 0.978 282 L CB 0.521 42.563 42.059 -0.028 0.000 1.337 282 L HN 0.155 nan 8.230 nan 0.000 0.563 283 L N -0.661 120.565 121.223 0.004 0.000 2.766 283 L HA 0.238 4.578 4.340 -0.000 0.000 0.242 283 L C 0.399 177.274 176.870 0.009 0.000 1.136 283 L CA -0.475 54.373 54.840 0.012 0.000 0.933 283 L CB 0.042 42.110 42.059 0.015 0.000 1.241 283 L HN 0.090 nan 8.230 nan 0.000 0.522 284 R N 2.204 122.706 120.500 0.004 0.000 2.504 284 R HA 0.007 4.347 4.340 -0.000 0.000 0.302 284 R C 0.806 177.109 176.300 0.005 0.000 0.893 284 R CA 0.734 56.835 56.100 0.003 0.000 1.138 284 R CB -0.976 29.324 30.300 -0.000 0.000 0.880 284 R HN 0.370 nan 8.270 nan 0.000 0.415 285 G N 3.453 112.256 108.800 0.005 0.000 2.292 285 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.221 285 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.221 285 G C 0.065 174.969 174.900 0.007 0.000 0.657 285 G CA 0.565 45.668 45.100 0.005 0.000 1.036 285 G HN 0.780 nan 8.290 nan 0.000 0.309 286 T N 0.878 115.437 114.554 0.008 0.000 2.710 286 T HA -0.210 4.140 4.350 -0.000 0.000 0.478 286 T C 0.645 175.351 174.700 0.011 0.000 0.784 286 T CA 1.835 63.941 62.100 0.010 0.000 2.529 286 T CB -0.756 68.117 68.868 0.008 0.000 1.603 286 T HN 0.942 nan 8.240 nan 0.000 0.473 287 K N 0.875 121.283 120.400 0.013 0.000 2.208 287 K HA 0.755 5.075 4.320 -0.000 0.000 0.247 287 K C 0.720 177.330 176.600 0.017 0.000 0.953 287 K CA -0.952 55.344 56.287 0.015 0.000 0.837 287 K CB 1.746 34.257 32.500 0.017 0.000 1.131 287 K HN 0.463 nan 8.250 nan 0.000 0.431 288 A N 1.353 124.183 122.820 0.017 0.000 2.521 288 A HA -0.053 4.267 4.320 -0.000 0.000 0.237 288 A C 0.912 178.508 177.584 0.021 0.000 1.087 288 A CA 0.033 52.080 52.037 0.017 0.000 0.777 288 A CB 0.037 19.046 19.000 0.016 0.000 1.035 288 A HN 0.710 nan 8.150 nan 0.000 0.510 289 L N 0.722 121.957 121.223 0.019 0.000 2.168 289 L HA 0.000 4.340 4.340 -0.000 0.000 0.203 289 L C 2.667 179.552 176.870 0.024 0.000 1.078 289 L CA 2.738 57.591 54.840 0.022 0.000 0.780 289 L CB -0.516 41.554 42.059 0.018 0.000 0.939 289 L HN 0.913 nan 8.230 nan 0.000 0.451 290 T N -3.326 111.239 114.554 0.019 0.000 3.100 290 T HA -0.032 4.318 4.350 -0.000 0.000 0.253 290 T C 0.875 175.588 174.700 0.022 0.000 1.118 290 T CA -0.273 61.837 62.100 0.017 0.000 1.058 290 T CB -0.479 68.394 68.868 0.009 0.000 0.953 290 T HN 0.329 nan 8.240 nan 0.000 0.515 291 E N 2.410 122.625 120.200 0.026 0.000 2.383 291 E HA 0.137 4.487 4.350 -0.000 0.000 0.257 291 E C -0.469 176.157 176.600 0.043 0.000 1.079 291 E CA -0.371 56.047 56.400 0.030 0.000 0.934 291 E CB 0.337 30.053 29.700 0.027 0.000 0.978 291 E HN 0.159 nan 8.360 nan 0.000 0.462 292 V N 6.275 126.215 119.914 0.044 0.000 2.694 292 V HA -0.070 4.050 4.120 -0.000 0.000 0.306 292 V C 0.642 176.779 176.094 0.070 0.000 1.054 292 V CA 0.363 62.701 62.300 0.064 0.000 1.161 292 V CB 0.365 32.220 31.823 0.054 0.000 0.916 292 V HN 0.592 nan 8.190 nan 0.000 0.490 293 I N 6.866 127.496 120.570 0.100 0.000 2.404 293 I HA 0.427 4.597 4.170 -0.000 0.000 0.293 293 I C -1.852 174.313 176.117 0.081 0.000 0.992 293 I CA -2.546 58.801 61.300 0.078 0.000 1.149 293 I CB 1.736 39.779 38.000 0.073 0.000 1.315 293 I HN 0.479 nan 8.210 nan 0.000 0.446 294 P HA 0.156 nan 4.420 nan 0.000 0.269 294 P C -0.730 176.576 177.300 0.009 0.000 1.215 294 P CA -0.333 62.789 63.100 0.037 0.000 0.780 294 P CB 0.938 32.651 31.700 0.021 0.000 0.898 295 L N 2.454 123.679 121.223 0.003 0.000 2.312 295 L HA 0.175 4.515 4.340 -0.000 0.000 0.287 295 L C 1.190 178.027 176.870 -0.056 0.000 1.091 295 L CA -0.392 54.413 54.840 -0.058 0.000 0.846 295 L CB -0.024 42.008 42.059 -0.044 0.000 1.219 295 L HN 0.439 nan 8.230 nan 0.000 0.439 296 T N -1.764 112.746 114.554 -0.072 0.000 2.779 296 T HA 0.066 4.416 4.350 -0.000 0.000 0.296 296 T C 0.920 175.583 174.700 -0.063 0.000 0.938 296 T CA -0.650 61.417 62.100 -0.055 0.000 1.119 296 T CB 1.604 70.441 68.868 -0.051 0.000 0.891 296 T HN 0.685 nan 8.240 nan 0.000 0.526 297 E N 2.444 122.618 120.200 -0.043 0.000 2.072 297 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 297 E C 1.492 178.068 176.600 -0.040 0.000 0.985 297 E CA 1.080 57.456 56.400 -0.040 0.000 0.801 297 E CB -0.065 29.620 29.700 -0.024 0.000 0.750 297 E HN 0.887 nan 8.360 nan 0.000 0.452 298 E N -0.329 119.851 120.200 -0.034 0.000 2.448 298 E HA -0.187 4.163 4.350 -0.000 0.000 0.203 298 E C 1.332 177.910 176.600 -0.037 0.000 1.046 298 E CA 0.577 56.959 56.400 -0.030 0.000 0.871 298 E CB 0.053 29.738 29.700 -0.024 0.000 0.790 298 E HN 0.350 nan 8.360 nan 0.000 0.545 299 A N 0.597 123.386 122.820 -0.052 0.000 1.999 299 A HA 0.014 4.334 4.320 -0.000 0.000 0.200 299 A C 1.678 179.219 177.584 -0.072 0.000 1.363 299 A CA -0.209 51.790 52.037 -0.064 0.000 0.844 299 A CB 0.211 19.161 19.000 -0.083 0.000 0.954 299 A HN 0.008 nan 8.150 nan 0.000 0.481 300 E N 0.672 120.822 120.200 -0.084 0.000 2.394 300 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 300 E C 1.625 178.193 176.600 -0.053 0.000 1.029 300 E CA 1.377 57.727 56.400 -0.084 0.000 0.855 300 E CB -0.490 29.164 29.700 -0.077 0.000 0.770 300 E HN 0.797 nan 8.360 nan 0.000 0.527 301 L N -1.115 120.084 121.223 -0.040 0.000 2.650 301 L HA 0.085 4.425 4.340 -0.000 0.000 0.235 301 L C 1.593 178.449 176.870 -0.023 0.000 1.149 301 L CA 0.836 55.661 54.840 -0.025 0.000 0.887 301 L CB 0.250 42.298 42.059 -0.019 0.000 1.021 301 L HN -0.159 nan 8.230 nan 0.000 0.441 302 E N -0.171 120.008 120.200 -0.035 0.000 2.357 302 E HA 0.040 4.390 4.350 -0.000 0.000 0.202 302 E C 1.563 178.142 176.600 -0.035 0.000 0.855 302 E CA 0.563 56.944 56.400 -0.031 0.000 1.048 302 E CB -0.143 29.535 29.700 -0.037 0.000 1.037 302 E HN 0.338 nan 8.360 nan 0.000 0.499 303 L N 0.982 122.169 121.223 -0.060 0.000 1.994 303 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 303 L C 2.095 178.945 176.870 -0.033 0.000 1.071 303 L CA 2.557 57.357 54.840 -0.065 0.000 0.745 303 L CB -1.001 40.980 42.059 -0.129 0.000 0.892 303 L HN 0.130 nan 8.230 nan 0.000 0.431 304 A N -0.815 121.986 122.820 -0.032 0.000 1.908 304 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 304 A C 2.357 179.940 177.584 -0.002 0.000 1.181 304 A CA 1.890 53.920 52.037 -0.011 0.000 0.627 304 A CB -0.871 18.122 19.000 -0.011 0.000 0.818 304 A HN 0.669 nan 8.150 nan 0.000 0.445 305 E N -0.233 119.964 120.200 -0.005 0.000 2.110 305 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 305 E C 1.494 178.100 176.600 0.010 0.000 0.988 305 E CA 1.276 57.679 56.400 0.006 0.000 0.804 305 E CB -0.136 29.567 29.700 0.005 0.000 0.745 305 E HN 0.606 nan 8.360 nan 0.000 0.458 306 N N 0.448 119.148 118.700 0.001 0.000 2.333 306 N HA -0.042 4.698 4.740 -0.000 0.000 0.178 306 N C 1.684 177.189 175.510 -0.009 0.000 1.018 306 N CA 0.491 53.540 53.050 -0.002 0.000 0.882 306 N CB -0.132 38.354 38.487 -0.002 0.000 0.984 306 N HN 0.187 nan 8.380 nan 0.000 0.434 307 R N 0.955 121.456 120.500 0.001 0.000 2.193 307 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 307 R C 1.277 177.579 176.300 0.003 0.000 1.110 307 R CA 0.785 56.889 56.100 0.006 0.000 0.988 307 R CB 0.085 30.397 30.300 0.020 0.000 0.871 307 R HN 0.291 nan 8.270 nan 0.000 0.458 308 E N 0.713 120.918 120.200 0.009 0.000 2.075 308 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 308 E C 2.098 178.717 176.600 0.032 0.000 0.969 308 E CA 0.571 56.984 56.400 0.021 0.000 0.815 308 E CB -0.058 29.658 29.700 0.026 0.000 0.776 308 E HN 0.300 nan 8.360 nan 0.000 0.457 309 I N 1.369 121.958 120.570 0.032 0.000 2.502 309 I HA -0.245 3.925 4.170 -0.000 0.000 0.258 309 I C 2.108 178.252 176.117 0.044 0.000 1.172 309 I CA 0.955 62.301 61.300 0.076 0.000 1.430 309 I CB -0.306 37.743 38.000 0.081 0.000 1.086 309 I HN -0.009 nan 8.210 nan 0.000 0.440 310 L N 0.132 121.294 121.223 -0.102 0.000 2.591 310 L HA 0.002 4.342 4.340 -0.000 0.000 0.228 310 L C 2.169 179.032 176.870 -0.011 0.000 1.133 310 L CA 0.516 55.210 54.840 -0.243 0.000 0.880 310 L CB -0.261 41.654 42.059 -0.239 0.000 1.033 310 L HN 0.175 nan 8.230 nan 0.000 0.450 311 K N -0.287 120.143 120.400 0.051 0.000 2.242 311 K HA 0.095 4.415 4.320 -0.000 0.000 0.200 311 K C 0.172 176.835 176.600 0.106 0.000 1.050 311 K CA 0.474 56.801 56.287 0.066 0.000 0.981 311 K CB 0.502 33.028 32.500 0.042 0.000 0.795 311 K HN 0.090 nan 8.250 nan 0.000 0.477 312 E N 2.165 122.444 120.200 0.133 0.000 2.155 312 E HA 0.230 4.580 4.350 -0.000 0.000 0.264 312 E C -2.345 174.350 176.600 0.158 0.000 0.886 312 E CA -2.111 54.359 56.400 0.117 0.000 0.752 312 E CB 1.304 31.046 29.700 0.069 0.000 1.133 312 E HN 0.093 nan 8.360 nan 0.000 0.414 313 P HA -0.152 nan 4.420 nan 0.000 0.275 313 P C 0.293 177.555 177.300 -0.063 0.000 1.227 313 P CA -0.024 63.103 63.100 0.045 0.000 0.808 313 P CB 0.672 32.394 31.700 0.036 0.000 0.858 314 V N 0.994 120.805 119.914 -0.172 0.000 3.083 314 V HA 0.117 4.237 4.120 -0.000 0.000 0.306 314 V C 1.105 177.148 176.094 -0.085 0.000 1.077 314 V CA -0.485 61.718 62.300 -0.161 0.000 1.073 314 V CB 0.373 32.071 31.823 -0.209 0.000 1.081 314 V HN 0.481 nan 8.190 nan 0.000 0.474 315 H N 2.199 121.269 119.070 -0.001 0.000 2.711 315 H HA 0.273 4.829 4.556 -0.000 0.000 0.381 315 H C 0.973 176.325 175.328 0.040 0.000 1.535 315 H CA 1.060 57.124 56.048 0.026 0.000 1.470 315 H CB 0.132 29.908 29.762 0.024 0.000 1.551 315 H HN 1.146 nan 8.280 nan 0.000 0.613 316 G N -0.838 108.090 108.800 0.213 0.000 2.582 316 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.288 316 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.288 316 G C -0.215 174.791 174.900 0.176 0.000 1.247 316 G CA 0.495 45.703 45.100 0.180 0.000 0.972 316 G HN 1.182 nan 8.290 nan 0.000 0.557 317 V N -1.611 118.414 119.914 0.185 0.000 5.534 317 V HA -0.034 4.086 4.120 -0.000 0.000 0.325 317 V C -0.041 176.180 176.094 0.212 0.000 0.622 317 V CA 2.076 64.466 62.300 0.150 0.000 1.198 317 V CB -2.411 29.482 31.823 0.115 0.000 1.407 317 V HN 2.287 nan 8.190 nan 0.000 0.477 318 Y N 2.156 122.526 120.300 0.116 0.000 2.409 318 Y HA 0.762 5.311 4.550 -0.000 0.000 0.339 318 Y C -0.374 175.629 175.900 0.171 0.000 1.033 318 Y CA -2.126 56.060 58.100 0.143 0.000 1.094 318 Y CB 1.245 39.761 38.460 0.094 0.000 1.210 318 Y HN 0.410 nan 8.280 nan 0.000 0.456 319 Y N 4.684 125.015 120.300 0.051 0.000 2.637 319 Y HA 0.168 4.718 4.550 -0.000 0.000 0.350 319 Y C -0.052 175.757 175.900 -0.152 0.000 1.069 319 Y CA -0.550 57.519 58.100 -0.051 0.000 1.397 319 Y CB -0.022 38.604 38.460 0.278 0.000 1.163 319 Y HN 0.797 nan 8.280 nan 0.000 0.527 320 D N 8.559 128.370 120.400 -0.981 0.000 2.339 320 D HA 0.126 4.766 4.640 -0.000 0.000 0.256 320 D C -2.124 173.594 176.300 -0.969 0.000 1.214 320 D CA -2.046 51.529 54.000 -0.709 0.000 0.877 320 D CB 1.869 42.335 40.800 -0.556 0.000 1.111 320 D HN 0.392 nan 8.370 nan 0.000 0.478 321 P HA -0.033 nan 4.420 nan 0.000 0.236 321 P C 1.140 178.307 177.300 -0.220 0.000 1.177 321 P CA 0.495 63.295 63.100 -0.500 0.000 0.773 321 P CB 0.273 31.930 31.700 -0.070 0.000 0.878 322 S N -2.019 113.573 115.700 -0.179 0.000 2.496 322 S HA 0.080 4.550 4.470 -0.000 0.000 0.224 322 S C 0.982 175.510 174.600 -0.120 0.000 0.996 322 S CA 0.263 58.402 58.200 -0.102 0.000 0.927 322 S CB -0.442 62.722 63.200 -0.060 0.000 0.774 322 S HN 0.035 nan 8.310 nan 0.000 0.524 323 K N 1.046 121.331 120.400 -0.192 0.000 2.148 323 K HA 0.379 4.699 4.320 -0.000 0.000 0.239 323 K C -0.888 175.604 176.600 -0.180 0.000 1.018 323 K CA -0.717 55.464 56.287 -0.176 0.000 0.923 323 K CB 0.268 32.646 32.500 -0.203 0.000 1.117 323 K HN 0.168 nan 8.250 nan 0.000 0.477 324 D N 1.001 121.304 120.400 -0.162 0.000 2.229 324 D HA 0.269 4.909 4.640 -0.000 0.000 0.249 324 D C -0.361 175.787 176.300 -0.254 0.000 1.027 324 D CA -0.353 53.543 54.000 -0.174 0.000 0.923 324 D CB 1.163 41.877 40.800 -0.143 0.000 1.174 324 D HN 0.172 nan 8.370 nan 0.000 0.443 325 L N 2.174 123.215 121.223 -0.305 0.000 2.292 325 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 325 L C -0.030 176.547 176.870 -0.487 0.000 1.065 325 L CA -0.436 54.139 54.840 -0.441 0.000 0.806 325 L CB 0.827 42.574 42.059 -0.520 0.000 1.175 325 L HN 0.160 nan 8.230 nan 0.000 0.431 326 I N 3.143 123.337 120.570 -0.626 0.000 2.406 326 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 326 I C -0.141 175.493 176.117 -0.806 0.000 0.999 326 I CA -0.423 60.432 61.300 -0.741 0.000 1.124 326 I CB 1.992 39.421 38.000 -0.952 0.000 1.289 326 I HN 0.589 nan 8.210 nan 0.000 0.441 327 A N 6.233 128.652 122.820 -0.668 0.000 2.285 327 A HA 0.585 4.904 4.320 -0.000 0.000 0.310 327 A C -0.513 176.972 177.584 -0.164 0.000 1.266 327 A CA -0.539 51.217 52.037 -0.468 0.000 0.832 327 A CB 0.542 19.099 19.000 -0.738 0.000 1.163 327 A HN 0.727 nan 8.150 nan 0.000 0.499 328 E N 1.827 122.033 120.200 0.010 0.000 2.204 328 E HA 0.603 4.953 4.350 -0.000 0.000 0.276 328 E C -0.972 175.734 176.600 0.177 0.000 0.974 328 E CA -0.369 56.108 56.400 0.128 0.000 0.815 328 E CB 1.971 31.799 29.700 0.214 0.000 1.119 328 E HN 0.634 nan 8.360 nan 0.000 0.393 329 I N 2.030 122.714 120.570 0.190 0.000 2.608 329 I HA 0.223 4.393 4.170 -0.000 0.000 0.295 329 I C -0.817 175.456 176.117 0.261 0.000 1.049 329 I CA -0.971 60.472 61.300 0.238 0.000 1.063 329 I CB 1.971 40.089 38.000 0.197 0.000 1.248 329 I HN 0.324 nan 8.210 nan 0.000 0.424 330 Q N 3.939 123.916 119.800 0.296 0.000 2.365 330 Q HA 0.399 4.739 4.340 -0.000 0.000 0.269 330 Q C -0.784 175.390 176.000 0.289 0.000 1.061 330 Q CA -0.823 55.135 55.803 0.258 0.000 0.816 330 Q CB 2.277 31.128 28.738 0.188 0.000 1.325 330 Q HN 0.328 nan 8.270 nan 0.000 0.446 331 K N 1.798 122.292 120.400 0.156 0.000 2.316 331 K HA 0.092 4.412 4.320 -0.000 0.000 0.289 331 K C 0.063 176.526 176.600 -0.229 0.000 1.070 331 K CA -0.017 56.121 56.287 -0.247 0.000 0.928 331 K CB 0.618 32.927 32.500 -0.318 0.000 1.039 331 K HN 0.494 nan 8.250 nan 0.000 0.480 332 Q N 2.524 122.139 119.800 -0.309 0.000 2.356 332 Q HA 0.124 4.464 4.340 -0.000 0.000 0.205 332 Q C 0.525 176.390 176.000 -0.225 0.000 0.901 332 Q CA 0.609 56.305 55.803 -0.177 0.000 0.938 332 Q CB 0.749 29.431 28.738 -0.093 0.000 1.081 332 Q HN 1.024 nan 8.270 nan 0.000 0.517 333 G N 1.403 109.979 108.800 -0.374 0.000 2.846 333 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.660 333 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.660 333 G C -0.372 174.394 174.900 -0.224 0.000 1.464 333 G CA -0.174 44.755 45.100 -0.285 0.000 0.891 333 G HN 0.192 nan 8.290 nan 0.000 0.552 334 Q N -1.720 117.988 119.800 -0.153 0.000 2.475 334 Q HA -0.200 4.140 4.340 -0.000 0.000 0.280 334 Q C 1.727 177.679 176.000 -0.081 0.000 1.234 334 Q CA 2.677 58.424 55.803 -0.095 0.000 0.873 334 Q CB -1.854 26.840 28.738 -0.074 0.000 1.256 334 Q HN 2.958 nan 8.270 nan 0.000 0.475 335 G N -0.270 108.473 108.800 -0.095 0.000 2.168 335 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 335 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 335 G C 0.021 174.949 174.900 0.047 0.000 0.997 335 G CA 0.986 46.098 45.100 0.020 0.000 0.708 335 G HN 0.443 nan 8.290 nan 0.000 0.520 336 Q N -1.563 118.152 119.800 -0.142 0.000 2.342 336 Q HA 0.667 5.007 4.340 -0.000 0.000 0.267 336 Q C -1.106 174.813 176.000 -0.135 0.000 1.038 336 Q CA -0.805 54.994 55.803 -0.007 0.000 0.832 336 Q CB 1.593 30.320 28.738 -0.018 0.000 1.323 336 Q HN 0.350 nan 8.270 nan 0.000 0.448 337 W N 1.116 122.522 121.300 0.178 0.000 2.830 337 W HA 0.319 4.979 4.660 -0.000 0.000 0.335 337 W C -0.348 176.293 176.519 0.203 0.000 1.043 337 W CA -0.668 56.789 57.345 0.186 0.000 1.239 337 W CB 1.498 31.085 29.460 0.211 0.000 1.378 337 W HN 0.474 nan 8.180 nan 0.000 0.456 338 T N 0.071 114.824 114.554 0.330 0.000 2.913 338 T HA 0.759 5.109 4.350 -0.000 0.000 0.287 338 T C -0.851 173.986 174.700 0.228 0.000 1.008 338 T CA -0.377 61.833 62.100 0.183 0.000 1.067 338 T CB 1.394 70.296 68.868 0.055 0.000 0.996 338 T HN 0.452 nan 8.240 nan 0.000 0.513 339 Y N -0.897 119.386 120.300 -0.029 0.000 2.597 339 Y HA 0.758 5.308 4.550 -0.000 0.000 0.340 339 Y C -1.608 174.209 175.900 -0.138 0.000 1.097 339 Y CA -1.489 56.584 58.100 -0.045 0.000 1.037 339 Y CB 1.518 39.999 38.460 0.035 0.000 1.305 339 Y HN 0.615 nan 8.280 nan 0.000 0.463 340 Q N 2.452 122.297 119.800 0.074 0.000 2.284 340 Q HA 0.615 4.955 4.340 -0.000 0.000 0.269 340 Q C -1.554 174.531 176.000 0.141 0.000 1.026 340 Q CA -0.513 55.295 55.803 0.009 0.000 0.831 340 Q CB 3.111 31.801 28.738 -0.079 0.000 1.322 340 Q HN 0.763 nan 8.270 nan 0.000 0.419 341 I N 3.291 123.934 120.570 0.121 0.000 2.412 341 I HA 0.679 4.849 4.170 -0.000 0.000 0.296 341 I C -0.711 175.420 176.117 0.024 0.000 0.987 341 I CA -1.038 60.235 61.300 -0.045 0.000 1.180 341 I CB 0.694 38.677 38.000 -0.029 0.000 1.340 341 I HN 0.710 nan 8.210 nan 0.000 0.455 342 Y N 2.617 122.834 120.300 -0.138 0.000 2.764 342 Y HA 0.441 4.991 4.550 -0.000 0.000 0.331 342 Y C -0.402 175.400 175.900 -0.163 0.000 1.280 342 Y CA -0.881 57.148 58.100 -0.117 0.000 1.065 342 Y CB 1.181 39.607 38.460 -0.058 0.000 1.319 342 Y HN 0.423 nan 8.280 nan 0.000 0.453 343 Q N -0.557 119.331 119.800 0.145 0.000 2.313 343 Q HA 0.280 4.620 4.340 -0.000 0.000 0.263 343 Q C -0.910 175.174 176.000 0.140 0.000 0.820 343 Q CA 0.155 55.960 55.803 0.004 0.000 0.974 343 Q CB 1.374 30.018 28.738 -0.156 0.000 1.156 343 Q HN 0.562 nan 8.270 nan 0.000 0.517 344 E N 1.293 121.607 120.200 0.190 0.000 2.302 344 E HA 0.298 4.648 4.350 -0.000 0.000 0.263 344 E C -2.713 173.933 176.600 0.076 0.000 0.897 344 E CA -2.037 54.436 56.400 0.122 0.000 0.809 344 E CB 1.770 31.499 29.700 0.048 0.000 1.270 344 E HN -0.083 nan 8.360 nan 0.000 0.410 345 P HA -0.176 nan 4.420 nan 0.000 0.262 345 P C -0.486 176.939 177.300 0.208 0.000 1.126 345 P CA 0.924 63.960 63.100 -0.107 0.000 0.755 345 P CB -0.154 31.669 31.700 0.205 0.000 0.716 346 F N 0.977 120.781 119.950 -0.243 0.000 3.043 346 F HA -0.225 4.302 4.527 -0.000 0.000 0.290 346 F C 0.599 176.373 175.800 -0.043 0.000 0.844 346 F CA 0.891 58.835 58.000 -0.093 0.000 1.184 346 F CB -2.307 36.628 39.000 -0.109 0.000 1.246 346 F HN 0.391 nan 8.300 nan 0.000 0.536 347 K N 0.063 120.510 120.400 0.079 0.000 3.350 347 K HA 0.182 4.502 4.320 -0.000 0.000 0.167 347 K C -0.302 176.362 176.600 0.107 0.000 1.058 347 K CA -0.605 55.734 56.287 0.088 0.000 0.783 347 K CB 0.547 33.092 32.500 0.075 0.000 0.872 347 K HN 0.018 nan 8.250 nan 0.000 0.561 348 N N 1.863 120.637 118.700 0.123 0.000 2.454 348 N HA 0.014 4.754 4.740 -0.000 0.000 0.260 348 N C 0.917 176.526 175.510 0.165 0.000 1.218 348 N CA 0.291 53.441 53.050 0.167 0.000 0.904 348 N CB 1.098 39.681 38.487 0.160 0.000 1.065 348 N HN 0.308 nan 8.380 nan 0.000 0.462 349 L N 0.642 121.984 121.223 0.198 0.000 2.509 349 L HA 0.165 4.505 4.340 -0.000 0.000 0.222 349 L C 0.896 177.940 176.870 0.290 0.000 1.123 349 L CA 0.530 55.537 54.840 0.279 0.000 0.856 349 L CB -0.021 42.288 42.059 0.416 0.000 0.985 349 L HN 0.551 nan 8.230 nan 0.000 0.456 350 K N 0.083 120.615 120.400 0.219 0.000 2.653 350 K HA 0.263 4.583 4.320 -0.000 0.000 0.274 350 K C -1.442 175.173 176.600 0.025 0.000 0.974 350 K CA -0.332 56.041 56.287 0.145 0.000 0.868 350 K CB 1.842 34.474 32.500 0.220 0.000 1.408 350 K HN -0.089 nan 8.250 nan 0.000 0.397 351 T N -0.221 114.256 114.554 -0.128 0.000 3.041 351 T HA 0.757 5.107 4.350 -0.000 0.000 0.321 351 T C -0.321 174.031 174.700 -0.580 0.000 1.184 351 T CA -0.166 61.701 62.100 -0.388 0.000 1.050 351 T CB 1.713 70.425 68.868 -0.261 0.000 1.159 351 T HN 0.720 nan 8.240 nan 0.000 0.469 352 G N 1.701 109.760 108.800 -1.235 0.000 3.166 352 G HA2 0.817 4.777 3.960 -0.000 0.000 0.267 352 G HA3 0.817 4.777 3.960 -0.000 0.000 0.267 352 G C -1.563 173.049 174.900 -0.480 0.000 1.256 352 G CA -1.080 43.525 45.100 -0.826 0.000 0.859 352 G HN 0.842 nan 8.290 nan 0.000 0.590 353 K N -1.595 118.812 120.400 0.011 0.000 2.469 353 K HA 0.579 4.899 4.320 -0.000 0.000 0.268 353 K C -2.167 174.688 176.600 0.426 0.000 1.027 353 K CA -0.807 55.610 56.287 0.216 0.000 0.893 353 K CB 2.926 35.492 32.500 0.110 0.000 1.460 353 K HN 0.534 nan 8.250 nan 0.000 0.449 354 Y N -0.171 120.292 120.300 0.271 0.000 2.480 354 Y HA 0.520 5.070 4.550 -0.000 0.000 0.329 354 Y C -2.099 173.961 175.900 0.267 0.000 1.127 354 Y CA -0.521 57.724 58.100 0.242 0.000 1.037 354 Y CB 1.848 40.431 38.460 0.205 0.000 1.320 354 Y HN 0.715 nan 8.280 nan 0.000 0.446 355 A N 6.529 129.054 122.820 -0.491 0.000 2.386 355 A HA 0.813 5.133 4.320 -0.000 0.000 0.311 355 A C -0.798 176.546 177.584 -0.400 0.000 1.068 355 A CA -0.949 50.941 52.037 -0.245 0.000 0.743 355 A CB 1.356 20.277 19.000 -0.131 0.000 1.258 355 A HN 0.947 nan 8.150 nan 0.000 0.429 356 R N 0.952 121.419 120.500 -0.056 0.000 2.542 356 R HA 0.705 5.045 4.340 -0.000 0.000 0.227 356 R C -0.577 175.713 176.300 -0.018 0.000 1.257 356 R CA -0.589 55.523 56.100 0.020 0.000 1.053 356 R CB 0.344 30.737 30.300 0.155 0.000 1.463 356 R HN 0.425 nan 8.270 nan 0.000 0.550 357 M N 1.428 121.040 119.600 0.019 0.000 2.353 357 M HA 0.254 4.734 4.480 -0.000 0.000 0.218 357 M C 0.015 176.328 176.300 0.021 0.000 1.044 357 M CA -0.201 55.104 55.300 0.008 0.000 0.615 357 M CB 0.997 33.601 32.600 0.007 0.000 1.531 357 M HN 0.716 nan 8.290 nan 0.000 0.378 358 R N 0.021 120.532 120.500 0.018 0.000 2.610 358 R HA -0.192 4.148 4.340 -0.000 0.000 0.252 358 R C 0.871 177.175 176.300 0.008 0.000 1.130 358 R CA 1.281 57.390 56.100 0.015 0.000 1.091 358 R CB -0.542 29.760 30.300 0.003 0.000 0.764 358 R HN 0.617 nan 8.270 nan 0.000 0.541 359 G N -3.581 105.223 108.800 0.007 0.000 2.642 359 G HA2 0.491 4.451 3.960 -0.000 0.000 0.293 359 G HA3 0.491 4.451 3.960 -0.000 0.000 0.293 359 G C 0.086 174.971 174.900 -0.024 0.000 1.341 359 G CA -0.266 44.827 45.100 -0.012 0.000 0.916 359 G HN 0.112 nan 8.290 nan 0.000 0.474 360 A N -0.083 122.690 122.820 -0.079 0.000 3.132 360 A HA -0.133 4.187 4.320 -0.000 0.000 0.266 360 A C 0.797 178.149 177.584 -0.388 0.000 1.216 360 A CA 2.445 54.365 52.037 -0.194 0.000 0.985 360 A CB -2.080 16.836 19.000 -0.140 0.000 1.102 360 A HN 1.671 nan 8.150 nan 0.000 0.833 361 H N -3.407 115.657 119.070 -0.011 0.000 3.033 361 H HA 0.369 4.925 4.556 -0.000 0.000 0.243 361 H C 0.291 175.601 175.328 -0.031 0.000 1.543 361 H CA 0.985 57.022 56.048 -0.019 0.000 1.216 361 H CB -0.495 29.261 29.762 -0.010 0.000 1.858 361 H HN 1.718 nan 8.280 nan 0.000 0.738 362 T N 0.176 114.797 114.554 0.112 0.000 1.884 362 T HA -0.132 4.218 4.350 -0.000 0.000 0.603 362 T C -0.422 174.286 174.700 0.013 0.000 0.914 362 T CA 0.947 63.058 62.100 0.018 0.000 3.205 362 T CB -2.401 66.502 68.868 0.058 0.000 1.886 362 T HN 0.916 nan 8.240 nan 0.000 0.439 363 N N 1.027 119.699 118.700 -0.046 0.000 2.619 363 N HA 0.738 5.478 4.740 -0.000 0.000 0.294 363 N C 0.577 176.130 175.510 0.071 0.000 1.279 363 N CA -0.815 52.233 53.050 -0.002 0.000 0.867 363 N CB 1.010 39.464 38.487 -0.055 0.000 1.329 363 N HN 0.148 nan 8.380 nan 0.000 0.557 364 D N -0.064 120.434 120.400 0.163 0.000 2.108 364 D HA -0.171 4.469 4.640 -0.000 0.000 0.190 364 D C 1.905 178.342 176.300 0.227 0.000 0.995 364 D CA 1.379 55.608 54.000 0.383 0.000 0.834 364 D CB -0.633 40.390 40.800 0.371 0.000 0.967 364 D HN 0.317 nan 8.370 nan 0.000 0.446 365 V N 1.302 121.290 119.914 0.123 0.000 2.278 365 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 365 V C 2.497 178.535 176.094 -0.094 0.000 1.062 365 V CA 2.028 64.389 62.300 0.102 0.000 1.038 365 V CB -0.545 31.371 31.823 0.155 0.000 0.646 365 V HN 0.244 nan 8.190 nan 0.000 0.447 366 K N -0.607 119.490 120.400 -0.506 0.000 2.097 366 K HA -0.238 4.082 4.320 -0.000 0.000 0.206 366 K C 2.258 178.643 176.600 -0.357 0.000 1.049 366 K CA 1.787 57.477 56.287 -0.996 0.000 0.933 366 K CB -0.077 31.696 32.500 -1.212 0.000 0.717 366 K HN 0.587 nan 8.250 nan 0.000 0.442 367 Q N 0.636 120.328 119.800 -0.180 0.000 2.016 367 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 367 Q C 2.261 177.941 176.000 -0.533 0.000 0.978 367 Q CA 1.270 56.991 55.803 -0.136 0.000 0.833 367 Q CB -0.112 28.774 28.738 0.248 0.000 0.895 367 Q HN 0.316 nan 8.270 nan 0.000 0.427 368 L N 0.466 121.300 121.223 -0.648 0.000 2.013 368 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 368 L C 2.151 178.877 176.870 -0.240 0.000 1.073 368 L CA 1.490 55.928 54.840 -0.670 0.000 0.753 368 L CB -0.416 41.484 42.059 -0.265 0.000 0.890 368 L HN 0.342 nan 8.230 nan 0.000 0.432 369 T N -0.608 113.964 114.554 0.030 0.000 2.759 369 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 369 T C 1.588 176.262 174.700 -0.042 0.000 1.042 369 T CA 1.669 63.903 62.100 0.223 0.000 1.140 369 T CB -0.131 68.913 68.868 0.294 0.000 0.864 369 T HN 0.497 nan 8.240 nan 0.000 0.455 370 E N 0.948 121.004 120.200 -0.240 0.000 2.051 370 E HA 0.097 4.447 4.350 -0.000 0.000 0.189 370 E C 2.654 178.879 176.600 -0.625 0.000 0.979 370 E CA 0.722 56.920 56.400 -0.337 0.000 0.803 370 E CB -0.216 29.364 29.700 -0.200 0.000 0.761 370 E HN 0.432 nan 8.360 nan 0.000 0.451 371 A N 1.281 123.486 122.820 -1.025 0.000 1.948 371 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 371 A C 2.495 179.738 177.584 -0.568 0.000 1.177 371 A CA 1.303 52.714 52.037 -1.044 0.000 0.636 371 A CB -0.760 17.657 19.000 -0.971 0.000 0.815 371 A HN 0.118 nan 8.150 nan 0.000 0.449 372 V N -0.524 119.114 119.914 -0.459 0.000 2.270 372 V HA -0.307 3.813 4.120 -0.000 0.000 0.245 372 V C 2.656 178.616 176.094 -0.223 0.000 1.043 372 V CA 2.339 64.343 62.300 -0.494 0.000 1.014 372 V CB -0.805 30.747 31.823 -0.451 0.000 0.645 372 V HN 0.662 nan 8.190 nan 0.000 0.447 373 Q N -0.416 119.281 119.800 -0.171 0.000 2.135 373 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 373 Q C 2.357 178.380 176.000 0.038 0.000 0.981 373 Q CA 1.909 57.683 55.803 -0.048 0.000 0.856 373 Q CB -0.221 28.308 28.738 -0.349 0.000 0.902 373 Q HN 0.545 nan 8.270 nan 0.000 0.425 374 K N 0.939 121.285 120.400 -0.090 0.000 1.973 374 K HA -0.173 4.147 4.320 -0.000 0.000 0.212 374 K C 1.963 178.505 176.600 -0.096 0.000 1.047 374 K CA 1.447 57.713 56.287 -0.035 0.000 0.937 374 K CB -0.220 32.239 32.500 -0.068 0.000 0.721 374 K HN 0.170 nan 8.250 nan 0.000 0.440 375 I N 1.202 121.634 120.570 -0.229 0.000 2.248 375 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 375 I C 2.211 178.308 176.117 -0.034 0.000 1.107 375 I CA 1.585 62.743 61.300 -0.237 0.000 1.373 375 I CB -0.525 37.329 38.000 -0.243 0.000 1.055 375 I HN 0.303 nan 8.210 nan 0.000 0.418 376 T N -0.180 114.425 114.554 0.085 0.000 2.821 376 T HA -0.131 4.218 4.350 -0.000 0.000 0.267 376 T C 1.916 176.500 174.700 -0.193 0.000 1.046 376 T CA 1.922 63.985 62.100 -0.061 0.000 1.139 376 T CB -0.248 68.509 68.868 -0.184 0.000 0.871 376 T HN 0.392 nan 8.240 nan 0.000 0.454 377 T N 2.227 116.777 114.554 -0.006 0.000 2.812 377 T HA -0.044 4.306 4.350 -0.000 0.000 0.264 377 T C 1.943 176.670 174.700 0.044 0.000 1.042 377 T CA 0.829 62.982 62.100 0.088 0.000 1.140 377 T CB -0.167 68.856 68.868 0.258 0.000 0.870 377 T HN 0.527 nan 8.240 nan 0.000 0.445 378 E N 1.446 121.597 120.200 -0.081 0.000 2.118 378 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 378 E C 2.461 179.003 176.600 -0.097 0.000 0.992 378 E CA 1.025 57.249 56.400 -0.293 0.000 0.804 378 E CB -0.273 29.010 29.700 -0.695 0.000 0.741 378 E HN 0.336 nan 8.360 nan 0.000 0.458 379 S N 1.043 116.714 115.700 -0.048 0.000 2.345 379 S HA -0.092 4.378 4.470 -0.000 0.000 0.220 379 S C 2.116 176.685 174.600 -0.052 0.000 1.031 379 S CA 0.674 58.926 58.200 0.087 0.000 0.996 379 S CB -0.167 63.035 63.200 0.003 0.000 0.882 379 S HN 0.201 nan 8.310 nan 0.000 0.445 380 I N 1.179 121.591 120.570 -0.264 0.000 2.118 380 I HA -0.183 3.987 4.170 -0.000 0.000 0.241 380 I C 2.216 178.169 176.117 -0.274 0.000 1.070 380 I CA 1.183 62.213 61.300 -0.451 0.000 1.327 380 I CB -0.775 36.758 38.000 -0.778 0.000 1.034 380 I HN 0.164 nan 8.210 nan 0.000 0.405 381 V N 1.259 121.068 119.914 -0.174 0.000 2.332 381 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 381 V C 2.263 178.370 176.094 0.022 0.000 1.055 381 V CA 1.956 64.252 62.300 -0.006 0.000 1.038 381 V CB -0.355 31.591 31.823 0.206 0.000 0.651 381 V HN 0.343 nan 8.190 nan 0.000 0.450 382 I N -2.078 118.408 120.570 -0.140 0.000 2.400 382 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 382 I C 1.858 177.628 176.117 -0.579 0.000 1.109 382 I CA 1.290 62.314 61.300 -0.461 0.000 1.425 382 I CB -0.132 37.266 38.000 -1.002 0.000 1.094 382 I HN 0.388 nan 8.210 nan 0.000 0.425 383 W N 0.370 121.449 121.300 -0.368 0.000 2.714 383 W HA 0.369 5.029 4.660 -0.000 0.000 0.353 383 W C 1.210 177.213 176.519 -0.858 0.000 0.999 383 W CA 0.341 57.315 57.345 -0.619 0.000 1.629 383 W CB -0.002 29.069 29.460 -0.648 0.000 1.106 383 W HN 0.256 nan 8.180 nan 0.000 0.545 384 G N 2.655 110.967 108.800 -0.813 0.000 2.283 384 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.280 384 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.280 384 G C -0.013 174.840 174.900 -0.079 0.000 1.029 384 G CA 0.921 45.724 45.100 -0.494 0.000 0.840 384 G HN 0.243 nan 8.290 nan 0.000 0.505 385 K N 0.122 120.447 120.400 -0.126 0.000 2.565 385 K HA 0.487 4.807 4.320 -0.000 0.000 0.251 385 K C 0.358 176.857 176.600 -0.169 0.000 0.956 385 K CA -0.149 56.106 56.287 -0.054 0.000 0.809 385 K CB 1.227 33.730 32.500 0.006 0.000 1.267 385 K HN 0.288 nan 8.250 nan 0.000 0.438 386 T N 1.503 115.932 114.554 -0.208 0.000 2.907 386 T HA 0.459 4.809 4.350 -0.000 0.000 0.298 386 T C -1.941 172.617 174.700 -0.235 0.000 1.017 386 T CA -1.104 60.831 62.100 -0.275 0.000 1.118 386 T CB 0.994 69.691 68.868 -0.285 0.000 0.948 386 T HN 0.296 nan 8.240 nan 0.000 0.531 387 P HA 0.412 nan 4.420 nan 0.000 0.301 387 P C -1.072 175.949 177.300 -0.466 0.000 1.309 387 P CA -0.906 61.908 63.100 -0.476 0.000 0.782 387 P CB 1.021 32.312 31.700 -0.683 0.000 1.282 388 K N 0.514 120.620 120.400 -0.491 0.000 2.358 388 K HA 0.395 4.715 4.320 -0.000 0.000 0.260 388 K C -1.066 175.299 176.600 -0.392 0.000 0.956 388 K CA -0.594 55.514 56.287 -0.298 0.000 0.834 388 K CB 0.439 32.814 32.500 -0.209 0.000 1.102 388 K HN 0.263 nan 8.250 nan 0.000 0.431 389 F N 2.882 122.755 119.950 -0.129 0.000 2.385 389 F HA 0.308 4.835 4.527 -0.000 0.000 0.336 389 F C 0.881 176.575 175.800 -0.177 0.000 1.100 389 F CA -0.585 57.326 58.000 -0.149 0.000 1.116 389 F CB 0.985 39.898 39.000 -0.146 0.000 1.166 389 F HN 0.112 nan 8.300 nan 0.000 0.511 390 K N 5.246 125.662 120.400 0.026 0.000 2.290 390 K HA 0.322 4.642 4.320 -0.000 0.000 0.250 390 K C -0.773 175.827 176.600 0.001 0.000 1.092 390 K CA -0.113 56.169 56.287 -0.007 0.000 1.006 390 K CB 0.588 33.113 32.500 0.043 0.000 1.549 390 K HN 0.604 nan 8.250 nan 0.000 0.436 391 L N 4.868 126.012 121.223 -0.131 0.000 2.361 391 L HA 0.134 4.474 4.340 -0.000 0.000 0.278 391 L C -1.631 175.269 176.870 0.050 0.000 1.113 391 L CA -1.611 53.138 54.840 -0.152 0.000 0.849 391 L CB 0.324 42.076 42.059 -0.511 0.000 1.155 391 L HN 0.134 nan 8.230 nan 0.000 0.452 392 P HA 0.265 nan 4.420 nan 0.000 0.238 392 P C -0.520 176.912 177.300 0.220 0.000 1.794 392 P CA 0.309 63.521 63.100 0.187 0.000 1.088 392 P CB 0.796 32.628 31.700 0.219 0.000 1.923 393 I N -0.163 120.545 120.570 0.230 0.000 3.099 393 I HA 0.226 4.396 4.170 -0.000 0.000 0.308 393 I C -1.420 174.767 176.117 0.118 0.000 1.405 393 I CA -1.162 60.269 61.300 0.220 0.000 0.953 393 I CB 2.875 41.051 38.000 0.293 0.000 1.324 393 I HN -0.041 nan 8.210 nan 0.000 0.495 394 Q N 4.063 123.881 119.800 0.031 0.000 2.294 394 Q HA 0.163 4.503 4.340 -0.000 0.000 0.257 394 Q C 0.723 176.472 176.000 -0.419 0.000 0.955 394 Q CA -0.140 55.590 55.803 -0.123 0.000 0.936 394 Q CB 1.503 30.231 28.738 -0.018 0.000 1.188 394 Q HN 0.627 nan 8.270 nan 0.000 0.420 395 K N 3.455 123.333 120.400 -0.870 0.000 2.097 395 K HA -0.305 4.015 4.320 -0.000 0.000 0.214 395 K C 0.839 177.159 176.600 -0.467 0.000 1.052 395 K CA 2.540 58.043 56.287 -1.307 0.000 0.932 395 K CB 0.231 32.325 32.500 -0.677 0.000 0.716 395 K HN 0.660 nan 8.250 nan 0.000 0.455 396 E N -0.614 119.457 120.200 -0.214 0.000 2.152 396 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 396 E C 1.924 178.542 176.600 0.030 0.000 0.983 396 E CA 1.545 57.908 56.400 -0.062 0.000 0.818 396 E CB -0.015 29.662 29.700 -0.038 0.000 0.758 396 E HN 0.337 nan 8.360 nan 0.000 0.467 397 T N 0.549 115.145 114.554 0.070 0.000 2.708 397 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 397 T C 1.259 176.133 174.700 0.291 0.000 1.037 397 T CA 1.053 63.288 62.100 0.225 0.000 1.146 397 T CB -0.322 68.691 68.868 0.241 0.000 0.865 397 T HN 0.402 nan 8.240 nan 0.000 0.435 398 W N 2.085 123.422 121.300 0.063 0.000 2.355 398 W HA -0.101 4.559 4.660 -0.000 0.000 0.309 398 W C 1.834 178.504 176.519 0.251 0.000 1.206 398 W CA 1.239 58.657 57.345 0.122 0.000 1.284 398 W CB -0.345 29.135 29.460 0.033 0.000 1.145 398 W HN 0.332 nan 8.180 nan 0.000 0.502 399 E N -0.441 119.972 120.200 0.354 0.000 2.267 399 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 399 E C 2.053 178.866 176.600 0.355 0.000 0.998 399 E CA 2.141 58.872 56.400 0.552 0.000 0.830 399 E CB -0.042 29.836 29.700 0.298 0.000 0.751 399 E HN 0.145 nan 8.360 nan 0.000 0.491 400 T N -1.243 113.321 114.554 0.017 0.000 2.852 400 T HA -0.066 4.284 4.350 -0.000 0.000 0.256 400 T C 0.845 175.099 174.700 -0.743 0.000 1.038 400 T CA 0.961 62.817 62.100 -0.407 0.000 1.141 400 T CB -0.133 68.338 68.868 -0.662 0.000 0.869 400 T HN 0.347 nan 8.240 nan 0.000 0.439 401 W N 1.007 122.229 121.300 -0.130 0.000 3.058 401 W HA 0.295 4.955 4.660 -0.000 0.000 0.306 401 W C 1.992 178.208 176.519 -0.504 0.000 1.188 401 W CA -1.325 55.857 57.345 -0.272 0.000 1.651 401 W CB -0.373 29.033 29.460 -0.090 0.000 1.051 401 W HN 0.322 nan 8.180 nan 0.000 0.592 402 W N 0.570 121.470 121.300 -0.667 0.000 2.305 402 W HA -0.284 4.376 4.660 -0.000 0.000 0.308 402 W C 1.395 177.580 176.519 -0.557 0.000 1.226 402 W CA 1.997 58.725 57.345 -1.028 0.000 1.253 402 W CB -1.849 26.519 29.460 -1.820 0.000 1.146 402 W HN -0.107 nan 8.180 nan 0.000 0.507 403 T N 1.072 114.612 114.554 -1.689 0.000 3.155 403 T HA -0.106 4.244 4.350 -0.000 0.000 0.264 403 T C 1.542 175.794 174.700 -0.747 0.000 1.160 403 T CA 1.463 62.603 62.100 -1.600 0.000 1.075 403 T CB -0.202 67.676 68.868 -1.649 0.000 0.921 403 T HN 0.204 nan 8.240 nan 0.000 0.533 404 E N 0.037 119.827 120.200 -0.684 0.000 2.127 404 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 404 E C 0.517 176.705 176.600 -0.686 0.000 0.964 404 E CA 0.787 56.760 56.400 -0.712 0.000 0.832 404 E CB 0.086 29.195 29.700 -0.984 0.000 0.790 404 E HN 0.713 nan 8.360 nan 0.000 0.465 405 Y N -1.223 119.047 120.300 -0.051 0.000 2.607 405 Y HA 0.179 4.729 4.550 -0.000 0.000 0.266 405 Y C 0.464 176.360 175.900 -0.008 0.000 1.178 405 Y CA -0.751 57.322 58.100 -0.045 0.000 1.226 405 Y CB -0.161 38.270 38.460 -0.048 0.000 1.144 405 Y HN 0.028 nan 8.280 nan 0.000 0.528 406 W N 3.096 124.305 121.300 -0.151 0.000 2.335 406 W HA 0.161 4.821 4.660 -0.000 0.000 0.306 406 W C 0.009 176.451 176.519 -0.129 0.000 1.216 406 W CA 0.114 57.396 57.345 -0.106 0.000 1.237 406 W CB 1.252 30.618 29.460 -0.156 0.000 1.243 406 W HN 0.247 nan 8.180 nan 0.000 0.493 407 Q N 3.601 123.071 119.800 -0.551 0.000 2.471 407 Q HA 0.117 4.457 4.340 -0.000 0.000 0.241 407 Q C 1.090 176.772 176.000 -0.529 0.000 0.886 407 Q CA 0.171 55.738 55.803 -0.393 0.000 0.953 407 Q CB -0.175 28.381 28.738 -0.304 0.000 1.108 407 Q HN 0.528 nan 8.270 nan 0.000 0.575 408 A N 1.631 123.857 122.820 -0.990 0.000 2.567 408 A HA 0.089 4.409 4.320 -0.000 0.000 0.236 408 A C 1.157 178.392 177.584 -0.582 0.000 1.088 408 A CA 1.147 52.497 52.037 -1.146 0.000 0.776 408 A CB 0.096 17.775 19.000 -2.202 0.000 1.033 408 A HN 0.379 nan 8.150 nan 0.000 0.513 409 T N -2.024 112.147 114.554 -0.638 0.000 3.054 409 T HA 0.254 4.604 4.350 -0.000 0.000 0.255 409 T C 0.327 175.058 174.700 0.051 0.000 1.035 409 T CA 0.022 62.018 62.100 -0.173 0.000 0.941 409 T CB -0.290 68.505 68.868 -0.120 0.000 1.026 409 T HN 0.736 nan 8.240 nan 0.000 0.533 410 W N 0.590 122.084 121.300 0.322 0.000 2.762 410 W HA 0.793 5.453 4.660 -0.000 0.000 0.355 410 W C -1.299 175.473 176.519 0.422 0.000 1.124 410 W CA -1.826 55.705 57.345 0.310 0.000 1.141 410 W CB 0.819 30.455 29.460 0.293 0.000 1.432 410 W HN -0.144 nan 8.180 nan 0.000 0.586 411 I N 2.654 123.643 120.570 0.700 0.000 2.534 411 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 411 I C -1.997 174.240 176.117 0.199 0.000 1.077 411 I CA -2.164 59.383 61.300 0.411 0.000 1.051 411 I CB 2.265 40.208 38.000 -0.096 0.000 1.234 411 I HN -0.018 nan 8.210 nan 0.000 0.425 412 P HA 0.312 nan 4.420 nan 0.000 0.302 412 P C -0.767 176.347 177.300 -0.309 0.000 1.307 412 P CA -0.375 62.768 63.100 0.071 0.000 0.754 412 P CB 1.000 32.933 31.700 0.389 0.000 1.298 413 E N -1.011 119.069 120.200 -0.200 0.000 2.242 413 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 413 E C -0.914 175.580 176.600 -0.178 0.000 1.002 413 E CA 0.054 56.248 56.400 -0.342 0.000 0.841 413 E CB 0.412 30.006 29.700 -0.177 0.000 1.109 413 E HN 0.373 nan 8.360 nan 0.000 0.394 414 W N 1.116 122.323 121.300 -0.155 0.000 2.988 414 W HA 0.666 5.326 4.660 -0.000 0.000 0.355 414 W C -1.178 175.056 176.519 -0.476 0.000 1.233 414 W CA -1.026 56.128 57.345 -0.318 0.000 1.176 414 W CB 0.257 29.406 29.460 -0.517 0.000 1.477 414 W HN 0.555 nan 8.180 nan 0.000 0.582 415 E N 0.027 120.015 120.200 -0.354 0.000 2.416 415 E HA 0.663 5.012 4.350 -0.000 0.000 0.280 415 E C -2.106 174.038 176.600 -0.761 0.000 1.055 415 E CA -0.959 55.145 56.400 -0.492 0.000 0.825 415 E CB 2.054 31.669 29.700 -0.142 0.000 1.312 415 E HN 0.293 nan 8.360 nan 0.000 0.452 416 F N 0.928 120.893 119.950 0.024 0.000 2.458 416 F HA 0.511 5.038 4.527 -0.000 0.000 0.336 416 F C 0.372 176.192 175.800 0.034 0.000 1.114 416 F CA -0.837 57.161 58.000 -0.003 0.000 0.987 416 F CB 1.928 40.925 39.000 -0.005 0.000 1.130 416 F HN 0.466 nan 8.300 nan 0.000 0.458 417 V N -0.267 119.760 119.914 0.188 0.000 3.302 417 V HA 0.605 4.725 4.120 -0.000 0.000 0.316 417 V C -0.647 175.534 176.094 0.146 0.000 1.111 417 V CA -0.747 61.641 62.300 0.146 0.000 1.029 417 V CB 1.908 33.804 31.823 0.122 0.000 1.170 417 V HN 0.794 nan 8.190 nan 0.000 0.452 418 N N 0.605 119.379 118.700 0.122 0.000 2.640 418 N HA 0.347 5.087 4.740 -0.000 0.000 0.262 418 N C -1.318 174.250 175.510 0.098 0.000 1.174 418 N CA 0.112 53.226 53.050 0.108 0.000 0.791 418 N CB 1.338 39.883 38.487 0.097 0.000 1.279 418 N HN 1.050 nan 8.380 nan 0.000 0.535 419 T N 1.787 116.399 114.554 0.097 0.000 0.957 419 T HA -0.080 4.270 4.350 -0.000 0.000 0.730 419 T C -2.615 172.139 174.700 0.090 0.000 0.983 419 T CA -0.415 61.736 62.100 0.085 0.000 3.858 419 T CB -0.459 68.453 68.868 0.072 0.000 2.186 419 T HN 0.425 nan 8.240 nan 0.000 0.390 420 P HA 0.334 nan 4.420 nan 0.000 0.293 420 P C -1.403 175.930 177.300 0.055 0.000 1.313 420 P CA -1.545 61.608 63.100 0.088 0.000 0.787 420 P CB 1.228 32.985 31.700 0.094 0.000 0.910 421 P HA -0.082 nan 4.420 nan 0.000 0.199 421 P C 1.064 178.337 177.300 -0.045 0.000 1.118 421 P CA 1.223 64.348 63.100 0.041 0.000 0.913 421 P CB 0.316 32.079 31.700 0.105 0.000 0.738 422 L N -1.097 120.029 121.223 -0.161 0.000 2.693 422 L HA 0.097 4.437 4.340 -0.000 0.000 0.235 422 L C 2.190 178.698 176.870 -0.604 0.000 1.127 422 L CA -0.098 54.508 54.840 -0.391 0.000 0.914 422 L CB 0.058 41.754 42.059 -0.606 0.000 1.193 422 L HN -0.225 nan 8.230 nan 0.000 0.502 423 V N 0.283 119.937 119.914 -0.432 0.000 2.867 423 V HA -0.258 3.862 4.120 -0.000 0.000 0.260 423 V C 2.384 178.469 176.094 -0.014 0.000 1.099 423 V CA 1.748 63.859 62.300 -0.315 0.000 1.122 423 V CB -0.591 31.260 31.823 0.047 0.000 0.708 423 V HN 0.481 nan 8.190 nan 0.000 0.490 424 K N -0.217 120.173 120.400 -0.016 0.000 2.214 424 K HA 0.060 4.380 4.320 -0.000 0.000 0.201 424 K C 1.939 178.554 176.600 0.024 0.000 1.049 424 K CA 0.314 56.640 56.287 0.064 0.000 0.978 424 K CB 0.005 32.532 32.500 0.045 0.000 0.842 424 K HN 0.314 nan 8.250 nan 0.000 0.474 425 L N 1.340 122.542 121.223 -0.034 0.000 2.456 425 L HA -0.077 4.263 4.340 -0.000 0.000 0.224 425 L C 1.543 178.432 176.870 0.031 0.000 1.148 425 L CA 1.239 56.068 54.840 -0.020 0.000 0.825 425 L CB -0.371 41.660 42.059 -0.047 0.000 0.937 425 L HN 0.412 nan 8.230 nan 0.000 0.450 426 W N -1.092 120.012 121.300 -0.327 0.000 2.519 426 W HA -0.185 4.475 4.660 -0.000 0.000 0.313 426 W C 1.294 177.647 176.519 -0.277 0.000 1.156 426 W CA 0.381 57.475 57.345 -0.419 0.000 1.394 426 W CB -0.317 28.637 29.460 -0.844 0.000 1.154 426 W HN 0.040 nan 8.180 nan 0.000 0.498 427 Y N 2.671 122.858 120.300 -0.189 0.000 2.542 427 Y HA -0.073 4.477 4.550 -0.000 0.000 0.326 427 Y C 1.513 177.306 175.900 -0.178 0.000 1.218 427 Y CA 0.177 58.099 58.100 -0.296 0.000 1.277 427 Y CB -0.673 37.696 38.460 -0.151 0.000 1.064 427 Y HN 0.123 nan 8.280 nan 0.000 0.499 428 Q N 0.000 119.784 119.800 -0.027 0.000 2.315 428 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 428 Q CA 0.000 55.792 55.803 -0.017 0.000 1.022 428 Q CB 0.000 28.730 28.738 -0.014 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481