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 2p9t_1_A DATA FIRST_RESID 4 DATA SEQUENCE AKLTLDKVDL KGKRVIMRVD FNVPMKNNQI TNNQRIKAAI PSIKHCLDNG DATA SEQUENCE AKSVVLMSHL GRPDGIPMPD KYSLEPVADE LKSLLNKDVI FLKDCVGPEV DATA SEQUENCE EQACANPDNG SIILLENLRF HVEEEGKGKD SSGKKISADP AKVEAFRASL DATA SEQUENCE SKLGDVYVND AFGTAHRAHS SMVGVNLPQK ASGFLMKKEL DYFSKALEKP DATA SEQUENCE ERPFLAILGG AKVKDKIQLI KNMLDKVNFM IIGGGMAYTF LKELKNMQIG DATA SEQUENCE ASLFDEEGAT IVKEIMEKAE KNGVKIVFPV DFVTGDKFDE NAKVGQATIE DATA SEQUENCE SGIPSGWMGL DCGPESIKIN AQIVAQAKLI VWNGPIGVFE WDAFAKGTKA DATA SEQUENCE LMDEVVKATS NGCVTIIGGG DTATCCAKWG TEDKVSHVST GGGASLELLE DATA SEQUENCE GKILPGVEAL SNM 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.599 177.584 0.026 0.000 1.274 4 A CA 0.000 52.049 52.037 0.020 0.000 0.836 4 A CB 0.000 19.012 19.000 0.020 0.000 0.831 5 K N 0.135 120.554 120.400 0.031 0.000 2.203 5 K HA 0.557 4.965 4.320 0.147 0.000 0.251 5 K C -0.448 176.175 176.600 0.037 0.000 0.944 5 K CA -0.911 55.400 56.287 0.039 0.000 0.829 5 K CB 2.119 34.649 32.500 0.051 0.000 1.125 5 K HN 0.329 nan 8.250 nan 0.000 0.430 6 L N 1.970 123.218 121.223 0.041 0.000 2.578 6 L HA 0.010 4.438 4.340 0.147 0.000 0.279 6 L C -0.351 176.545 176.870 0.044 0.000 1.227 6 L CA 1.138 56.002 54.840 0.041 0.000 0.900 6 L CB 0.025 42.112 42.059 0.046 0.000 1.144 6 L HN 0.575 nan 8.230 nan 0.000 0.496 7 T N 5.697 120.275 114.554 0.040 0.000 2.902 7 T HA 0.245 4.683 4.350 0.147 0.000 0.283 7 T C 1.432 176.168 174.700 0.060 0.000 1.009 7 T CA -0.708 61.421 62.100 0.049 0.000 1.051 7 T CB 1.466 70.353 68.868 0.032 0.000 0.999 7 T HN 0.653 nan 8.240 nan 0.000 0.474 8 L N 1.722 122.990 121.223 0.076 0.000 2.013 8 L HA -0.176 4.252 4.340 0.147 0.000 0.212 8 L C 2.389 179.292 176.870 0.055 0.000 1.073 8 L CA 2.022 56.880 54.840 0.029 0.000 0.753 8 L CB -0.373 41.627 42.059 -0.098 0.000 0.890 8 L HN 0.858 nan 8.230 nan 0.000 0.432 9 D N -1.053 119.409 120.400 0.103 0.000 2.403 9 D HA -0.194 4.534 4.640 0.147 0.000 0.227 9 D C 1.050 177.429 176.300 0.133 0.000 0.995 9 D CA 0.601 54.672 54.000 0.119 0.000 0.928 9 D CB -0.041 40.803 40.800 0.073 0.000 0.887 9 D HN 0.303 nan 8.370 nan 0.000 0.529 10 K N 0.656 121.111 120.400 0.091 0.000 2.373 10 K HA 0.212 4.620 4.320 0.147 0.000 0.202 10 K C 0.059 176.701 176.600 0.070 0.000 1.025 10 K CA -0.193 56.136 56.287 0.070 0.000 1.115 10 K CB 1.644 34.171 32.500 0.045 0.000 0.858 10 K HN 0.085 nan 8.250 nan 0.000 0.525 11 V N 1.687 121.654 119.914 0.087 0.000 2.547 11 V HA 0.146 4.354 4.120 0.147 0.000 0.299 11 V C -0.240 175.900 176.094 0.078 0.000 1.040 11 V CA -1.087 61.256 62.300 0.072 0.000 0.913 11 V CB 1.965 33.826 31.823 0.063 0.000 0.992 11 V HN 0.047 nan 8.190 nan 0.000 0.449 12 D N 3.577 124.009 120.400 0.053 0.000 2.468 12 D HA 0.249 4.977 4.640 0.147 0.000 0.218 12 D C 0.716 177.036 176.300 0.033 0.000 1.155 12 D CA -0.045 53.980 54.000 0.042 0.000 0.924 12 D CB 0.598 41.416 40.800 0.030 0.000 1.029 12 D HN 0.456 nan 8.370 nan 0.000 0.515 13 L N 2.563 123.806 121.223 0.034 0.000 2.599 13 L HA 0.106 4.534 4.340 0.147 0.000 0.230 13 L C 1.116 177.988 176.870 0.004 0.000 1.141 13 L CA 0.000 54.852 54.840 0.020 0.000 0.877 13 L CB -0.360 41.711 42.059 0.021 0.000 1.009 13 L HN 0.119 nan 8.230 nan 0.000 0.447 14 K N 1.887 122.288 120.400 0.002 0.000 2.405 14 K HA 0.029 4.437 4.320 0.147 0.000 0.273 14 K C 1.180 177.779 176.600 -0.002 0.000 1.116 14 K CA 0.746 57.030 56.287 -0.004 0.000 1.155 14 K CB -0.164 32.335 32.500 -0.001 0.000 0.858 14 K HN 0.341 nan 8.250 nan 0.000 0.477 15 G N 3.028 111.825 108.800 -0.006 0.000 2.305 15 G HA2 -0.273 3.775 3.960 0.147 0.000 0.287 15 G HA3 -0.273 3.775 3.960 0.147 0.000 0.287 15 G C -0.336 174.563 174.900 -0.002 0.000 1.036 15 G CA 0.205 45.303 45.100 -0.004 0.000 0.887 15 G HN 0.446 nan 8.290 nan 0.000 0.505 16 K N -0.095 120.304 120.400 -0.001 0.000 2.270 16 K HA 0.406 4.814 4.320 0.147 0.000 0.255 16 K C 0.628 177.228 176.600 -0.000 0.000 0.936 16 K CA -0.897 55.391 56.287 0.002 0.000 0.809 16 K CB 1.601 34.106 32.500 0.008 0.000 1.131 16 K HN 0.337 nan 8.250 nan 0.000 0.427 17 R N 0.977 121.477 120.500 0.000 0.000 2.389 17 R HA 0.254 4.682 4.340 0.147 0.000 0.295 17 R C -0.168 176.132 176.300 0.000 0.000 1.075 17 R CA -0.398 55.701 56.100 -0.002 0.000 1.005 17 R CB 0.570 30.868 30.300 -0.003 0.000 0.987 17 R HN 0.179 nan 8.270 nan 0.000 0.452 18 V N 5.364 125.274 119.914 -0.006 0.000 2.357 18 V HA 0.231 4.439 4.120 0.147 0.000 0.284 18 V C -0.304 175.779 176.094 -0.018 0.000 1.018 18 V CA -0.797 61.496 62.300 -0.013 0.000 0.841 18 V CB 1.395 33.201 31.823 -0.029 0.000 0.991 18 V HN 0.552 nan 8.190 nan 0.000 0.437 19 I N 6.458 127.028 120.570 0.000 0.000 2.307 19 I HA 0.532 4.790 4.170 0.147 0.000 0.289 19 I C -0.311 175.773 176.117 -0.055 0.000 1.021 19 I CA -0.058 61.248 61.300 0.009 0.000 1.224 19 I CB 0.839 38.883 38.000 0.074 0.000 1.376 19 I HN 0.744 nan 8.210 nan 0.000 0.470 20 M N 7.431 126.964 119.600 -0.112 0.000 2.243 20 M HA 0.509 5.077 4.480 0.147 0.000 0.324 20 M C -0.973 175.205 176.300 -0.204 0.000 1.031 20 M CA -0.783 54.384 55.300 -0.222 0.000 0.949 20 M CB 1.022 33.509 32.600 -0.188 0.000 1.615 20 M HN 0.491 nan 8.290 nan 0.000 0.430 21 R N 4.084 124.432 120.500 -0.253 0.000 2.254 21 R HA 0.631 5.059 4.340 0.147 0.000 0.318 21 R C -1.313 174.863 176.300 -0.206 0.000 1.031 21 R CA -0.114 55.896 56.100 -0.149 0.000 0.905 21 R CB 0.654 30.941 30.300 -0.022 0.000 1.050 21 R HN 0.671 nan 8.270 nan 0.000 0.456 22 V N -0.225 119.513 119.914 -0.293 0.000 3.141 22 V HA 0.518 4.726 4.120 0.147 0.000 0.312 22 V C -0.604 175.297 176.094 -0.321 0.000 1.157 22 V CA -1.119 60.956 62.300 -0.375 0.000 1.041 22 V CB 2.375 33.748 31.823 -0.751 0.000 1.071 22 V HN 0.570 nan 8.190 nan 0.000 0.441 23 D N 0.658 120.952 120.400 -0.177 0.000 2.473 23 D HA 0.414 5.142 4.640 0.147 0.000 0.226 23 D C -0.280 176.092 176.300 0.120 0.000 1.089 23 D CA -0.345 53.625 54.000 -0.050 0.000 0.883 23 D CB 0.656 41.489 40.800 0.055 0.000 1.029 23 D HN 0.611 nan 8.370 nan 0.000 0.517 24 F N 1.968 121.861 119.950 -0.094 0.000 2.647 24 F HA 0.112 4.724 4.527 0.142 0.000 0.300 24 F C 1.190 176.923 175.800 -0.112 0.000 1.106 24 F CA -0.731 57.224 58.000 -0.075 0.000 1.313 24 F CB 0.370 39.341 39.000 -0.049 0.000 1.007 24 F HN 0.181 nan 8.300 nan 0.000 0.536 25 N N 2.367 121.054 118.700 -0.022 0.000 2.744 25 N HA 0.060 4.888 4.740 0.147 0.000 0.290 25 N C -0.440 175.080 175.510 0.016 0.000 1.206 25 N CA -0.001 52.995 53.050 -0.090 0.000 1.119 25 N CB 0.044 38.373 38.487 -0.264 0.000 1.449 25 N HN 0.086 nan 8.380 nan 0.000 0.514 26 V N 1.001 120.933 119.914 0.030 0.000 2.716 26 V HA 0.699 4.907 4.120 0.147 0.000 0.304 26 V C -2.027 174.085 176.094 0.030 0.000 1.053 26 V CA -2.218 60.096 62.300 0.023 0.000 0.984 26 V CB 1.129 32.945 31.823 -0.011 0.000 1.021 26 V HN 0.357 nan 8.190 nan 0.000 0.467 27 P HA 0.211 nan 4.420 nan 0.000 0.267 27 P C -0.756 176.558 177.300 0.024 0.000 1.209 27 P CA 0.139 63.259 63.100 0.033 0.000 0.763 27 P CB 0.659 32.371 31.700 0.021 0.000 0.816 28 M N 2.682 122.305 119.600 0.038 0.000 2.762 28 M HA 0.533 5.101 4.480 0.147 0.000 0.306 28 M C 0.093 176.402 176.300 0.015 0.000 1.223 28 M CA -0.869 54.445 55.300 0.023 0.000 0.896 28 M CB 1.462 34.084 32.600 0.036 0.000 1.684 28 M HN 0.228 nan 8.290 nan 0.000 0.491 29 K N 1.219 121.619 120.400 -0.000 0.000 2.664 29 K HA 0.220 4.628 4.320 0.147 0.000 0.298 29 K C -0.732 175.859 176.600 -0.014 0.000 1.152 29 K CA 0.173 56.457 56.287 -0.005 0.000 1.038 29 K CB 0.118 32.617 32.500 -0.002 0.000 1.342 29 K HN 0.769 nan 8.250 nan 0.000 0.496 30 N N 4.515 123.201 118.700 -0.022 0.000 2.756 30 N HA -0.207 4.621 4.740 0.147 0.000 0.248 30 N C -0.701 174.792 175.510 -0.029 0.000 1.062 30 N CA 0.807 53.841 53.050 -0.026 0.000 0.696 30 N CB -0.539 37.936 38.487 -0.020 0.000 0.946 30 N HN 0.882 nan 8.380 nan 0.000 0.548 31 N N -0.774 117.907 118.700 -0.032 0.000 2.753 31 N HA -0.197 4.631 4.740 0.147 0.000 0.251 31 N C -1.084 174.406 175.510 -0.032 0.000 1.097 31 N CA 1.564 54.596 53.050 -0.031 0.000 0.786 31 N CB -0.666 37.802 38.487 -0.032 0.000 1.137 31 N HN 0.700 nan 8.380 nan 0.000 0.566 32 Q N 0.106 119.889 119.800 -0.027 0.000 2.342 32 Q HA 0.557 4.985 4.340 0.147 0.000 0.267 32 Q C 0.094 176.078 176.000 -0.027 0.000 1.038 32 Q CA -0.615 55.170 55.803 -0.030 0.000 0.832 32 Q CB 1.807 30.529 28.738 -0.026 0.000 1.323 32 Q HN 0.217 nan 8.270 nan 0.000 0.448 33 I N 1.685 122.232 120.570 -0.038 0.000 2.416 33 I HA 0.057 4.316 4.170 0.147 0.000 0.288 33 I C 1.195 177.294 176.117 -0.030 0.000 1.051 33 I CA 0.033 61.311 61.300 -0.037 0.000 1.375 33 I CB 1.040 39.004 38.000 -0.060 0.000 1.407 33 I HN 0.782 nan 8.210 nan 0.000 0.516 34 T N 0.521 115.062 114.554 -0.022 0.000 3.069 34 T HA 0.146 4.584 4.350 0.147 0.000 0.252 34 T C 0.488 175.173 174.700 -0.025 0.000 1.053 34 T CA -0.175 61.913 62.100 -0.019 0.000 0.964 34 T CB -0.131 68.731 68.868 -0.011 0.000 1.005 34 T HN 0.557 nan 8.240 nan 0.000 0.532 35 N N 1.747 120.429 118.700 -0.029 0.000 2.752 35 N HA 0.120 4.948 4.740 0.147 0.000 0.268 35 N C -0.968 174.519 175.510 -0.039 0.000 1.190 35 N CA -0.287 52.743 53.050 -0.033 0.000 0.897 35 N CB 1.244 39.712 38.487 -0.031 0.000 1.515 35 N HN 0.234 nan 8.380 nan 0.000 0.567 36 N N 2.378 121.050 118.700 -0.047 0.000 2.268 36 N HA -0.006 4.822 4.740 0.147 0.000 0.204 36 N C 1.029 176.511 175.510 -0.047 0.000 1.124 36 N CA -0.004 53.007 53.050 -0.066 0.000 0.838 36 N CB 0.249 38.687 38.487 -0.081 0.000 0.994 36 N HN 0.587 nan 8.380 nan 0.000 0.489 37 Q N 1.260 121.044 119.800 -0.026 0.000 2.062 37 Q HA -0.135 4.294 4.340 0.147 0.000 0.209 37 Q C 1.451 177.465 176.000 0.024 0.000 0.996 37 Q CA 1.702 57.500 55.803 -0.009 0.000 0.859 37 Q CB -0.017 28.711 28.738 -0.017 0.000 0.920 37 Q HN 0.452 nan 8.270 nan 0.000 0.415 38 R N -0.289 120.237 120.500 0.044 0.000 2.193 38 R HA -0.084 4.344 4.340 0.147 0.000 0.229 38 R C 2.273 178.673 176.300 0.166 0.000 1.110 38 R CA 1.017 57.187 56.100 0.117 0.000 0.988 38 R CB -0.150 30.234 30.300 0.140 0.000 0.871 38 R HN 0.381 nan 8.270 nan 0.000 0.458 39 I N 0.678 121.258 120.570 0.016 0.000 2.277 39 I HA -0.237 4.021 4.170 0.147 0.000 0.243 39 I C 1.942 178.061 176.117 0.003 0.000 1.094 39 I CA 1.300 62.518 61.300 -0.137 0.000 1.393 39 I CB -0.126 37.654 38.000 -0.365 0.000 1.078 39 I HN 0.060 nan 8.210 nan 0.000 0.417 40 K N 1.109 121.508 120.400 -0.002 0.000 2.148 40 K HA -0.070 4.338 4.320 0.147 0.000 0.204 40 K C 2.173 178.816 176.600 0.072 0.000 1.050 40 K CA 1.273 57.575 56.287 0.025 0.000 0.942 40 K CB -0.243 32.263 32.500 0.009 0.000 0.724 40 K HN 0.280 nan 8.250 nan 0.000 0.446 41 A N 1.543 124.418 122.820 0.092 0.000 2.024 41 A HA -0.102 4.306 4.320 0.147 0.000 0.220 41 A C 2.259 179.927 177.584 0.139 0.000 1.164 41 A CA 1.810 53.915 52.037 0.114 0.000 0.643 41 A CB -0.437 18.634 19.000 0.119 0.000 0.806 41 A HN 0.334 nan 8.150 nan 0.000 0.451 42 A N -0.608 122.317 122.820 0.174 0.000 2.132 42 A HA 0.251 4.659 4.320 0.147 0.000 0.213 42 A C 1.875 179.528 177.584 0.115 0.000 1.154 42 A CA 0.521 52.654 52.037 0.160 0.000 0.753 42 A CB -0.436 18.715 19.000 0.252 0.000 0.826 42 A HN 0.447 nan 8.150 nan 0.000 0.469 43 I N 0.464 121.102 120.570 0.113 0.000 2.113 43 I HA -0.251 4.007 4.170 0.147 0.000 0.242 43 I C -0.499 175.653 176.117 0.059 0.000 1.064 43 I CA 1.811 63.159 61.300 0.079 0.000 1.320 43 I CB -1.330 36.709 38.000 0.065 0.000 1.028 43 I HN 0.198 nan 8.210 nan 0.000 0.406 44 P HA -0.177 nan 4.420 nan 0.000 0.215 44 P C 1.825 179.080 177.300 -0.075 0.000 1.163 44 P CA 1.834 65.012 63.100 0.130 0.000 0.894 44 P CB 0.002 31.870 31.700 0.280 0.000 0.791 45 S N -0.983 114.584 115.700 -0.222 0.000 2.368 45 S HA -0.136 4.422 4.470 0.147 0.000 0.225 45 S C 1.908 176.356 174.600 -0.253 0.000 1.030 45 S CA 1.145 59.041 58.200 -0.507 0.000 0.999 45 S CB -1.125 61.874 63.200 -0.335 0.000 0.844 45 S HN 0.112 nan 8.310 nan 0.000 0.459 46 I N 1.307 121.815 120.570 -0.104 0.000 2.179 46 I HA -0.220 4.038 4.170 0.147 0.000 0.242 46 I C 2.428 178.528 176.117 -0.028 0.000 1.088 46 I CA 1.244 62.518 61.300 -0.043 0.000 1.357 46 I CB -0.314 37.696 38.000 0.017 0.000 1.051 46 I HN 0.220 nan 8.210 nan 0.000 0.409 47 K N -0.243 120.152 120.400 -0.008 0.000 2.057 47 K HA -0.249 4.159 4.320 0.147 0.000 0.207 47 K C 2.167 178.769 176.600 0.004 0.000 1.049 47 K CA 1.719 58.012 56.287 0.011 0.000 0.931 47 K CB -0.412 32.113 32.500 0.041 0.000 0.714 47 K HN 0.358 nan 8.250 nan 0.000 0.440 48 H N 0.479 119.485 119.070 -0.108 0.000 2.319 48 H HA -0.166 4.478 4.556 0.147 0.000 0.299 48 H C 2.063 177.332 175.328 -0.098 0.000 1.092 48 H CA 2.176 58.160 56.048 -0.107 0.000 1.302 48 H CB -0.254 29.317 29.762 -0.318 0.000 1.373 48 H HN 0.184 nan 8.280 nan 0.000 0.497 49 C N 0.192 119.486 119.300 -0.011 0.000 2.393 49 C HA -0.157 4.391 4.460 0.147 0.000 0.276 49 C C 2.939 177.888 174.990 -0.068 0.000 1.215 49 C CA 1.215 60.215 59.018 -0.031 0.000 1.743 49 C CB -1.168 26.554 27.740 -0.031 0.000 2.044 49 C HN 0.583 nan 8.230 nan 0.000 0.464 50 L N 0.466 121.657 121.223 -0.053 0.000 2.141 50 L HA -0.131 4.297 4.340 0.147 0.000 0.209 50 L C 1.957 178.790 176.870 -0.061 0.000 1.094 50 L CA 1.448 56.262 54.840 -0.044 0.000 0.763 50 L CB -0.698 41.347 42.059 -0.023 0.000 0.908 50 L HN 0.333 nan 8.230 nan 0.000 0.437 51 D N -0.407 119.940 120.400 -0.089 0.000 2.317 51 D HA -0.089 4.639 4.640 0.147 0.000 0.211 51 D C 0.944 177.164 176.300 -0.133 0.000 0.966 51 D CA 0.766 54.708 54.000 -0.096 0.000 0.876 51 D CB -0.169 40.577 40.800 -0.091 0.000 0.927 51 D HN 0.230 nan 8.370 nan 0.000 0.519 52 N N -0.619 117.969 118.700 -0.188 0.000 2.320 52 N HA 0.317 5.145 4.740 0.147 0.000 0.237 52 N C 0.789 176.247 175.510 -0.087 0.000 1.129 52 N CA 0.276 53.221 53.050 -0.174 0.000 0.854 52 N CB 1.034 39.343 38.487 -0.296 0.000 1.083 52 N HN 0.068 nan 8.380 nan 0.000 0.504 53 G N -0.549 108.213 108.800 -0.063 0.000 2.159 53 G HA2 -0.274 3.774 3.960 0.147 0.000 0.256 53 G HA3 -0.274 3.774 3.960 0.147 0.000 0.256 53 G C 0.335 175.219 174.900 -0.027 0.000 0.977 53 G CA 0.047 45.125 45.100 -0.037 0.000 0.652 53 G HN 0.599 nan 8.290 nan 0.000 0.531 54 A N 0.202 123.003 122.820 -0.032 0.000 2.520 54 A HA 0.555 4.963 4.320 0.147 0.000 0.245 54 A C 1.417 178.992 177.584 -0.015 0.000 1.072 54 A CA 1.424 53.449 52.037 -0.020 0.000 0.761 54 A CB 0.341 19.328 19.000 -0.021 0.000 1.004 54 A HN 0.693 nan 8.150 nan 0.000 0.499 55 K N 1.345 121.739 120.400 -0.010 0.000 2.097 55 K HA -0.070 4.338 4.320 0.147 0.000 0.205 55 K C 0.464 177.060 176.600 -0.007 0.000 1.050 55 K CA 1.600 57.883 56.287 -0.008 0.000 0.938 55 K CB -0.112 32.385 32.500 -0.005 0.000 0.718 55 K HN 0.962 nan 8.250 nan 0.000 0.442 56 S N -1.823 113.873 115.700 -0.007 0.000 2.611 56 S HA 0.442 5.000 4.470 0.147 0.000 0.268 56 S C -1.209 173.386 174.600 -0.008 0.000 1.156 56 S CA -1.145 57.052 58.200 -0.005 0.000 0.817 56 S CB 2.231 65.429 63.200 -0.004 0.000 1.122 56 S HN -0.145 nan 8.310 nan 0.000 0.466 57 V N 1.497 121.408 119.914 -0.005 0.000 2.498 57 V HA 0.440 4.648 4.120 0.147 0.000 0.283 57 V C -0.798 175.293 176.094 -0.004 0.000 1.015 57 V CA -0.583 61.710 62.300 -0.011 0.000 0.867 57 V CB 1.405 33.221 31.823 -0.011 0.000 1.025 57 V HN 0.830 nan 8.190 nan 0.000 0.441 58 V N 6.586 126.492 119.914 -0.013 0.000 2.406 58 V HA 0.448 4.656 4.120 0.147 0.000 0.272 58 V C 0.013 176.092 176.094 -0.024 0.000 1.043 58 V CA -0.256 62.037 62.300 -0.011 0.000 0.915 58 V CB 1.444 33.255 31.823 -0.020 0.000 0.988 58 V HN 0.619 nan 8.190 nan 0.000 0.466 59 L N 6.737 127.956 121.223 -0.006 0.000 2.317 59 L HA 0.753 5.181 4.340 0.147 0.000 0.281 59 L C -0.150 176.695 176.870 -0.041 0.000 1.024 59 L CA -0.398 54.416 54.840 -0.042 0.000 0.810 59 L CB 1.571 43.643 42.059 0.021 0.000 1.240 59 L HN 0.705 nan 8.230 nan 0.000 0.427 60 M N 1.672 121.212 119.600 -0.100 0.000 2.378 60 M HA 0.794 5.362 4.480 0.147 0.000 0.289 60 M C -0.975 175.269 176.300 -0.093 0.000 1.136 60 M CA -0.333 54.932 55.300 -0.058 0.000 0.917 60 M CB 2.316 34.897 32.600 -0.030 0.000 1.669 60 M HN 0.468 nan 8.290 nan 0.000 0.461 61 S N 0.555 116.234 115.700 -0.034 0.000 2.643 61 S HA 0.642 5.200 4.470 0.147 0.000 0.270 61 S C -1.678 172.951 174.600 0.048 0.000 1.166 61 S CA -0.726 57.454 58.200 -0.034 0.000 0.815 61 S CB 1.589 64.706 63.200 -0.139 0.000 1.139 61 S HN 1.046 nan 8.310 nan 0.000 0.472 62 H N 0.873 119.960 119.070 0.030 0.000 2.676 62 H HA 0.866 5.505 4.556 0.138 0.000 0.352 62 H C -1.423 173.928 175.328 0.038 0.000 1.193 62 H CA -0.960 55.096 56.048 0.014 0.000 1.243 62 H CB 1.342 31.115 29.762 0.019 0.000 1.751 62 H HN 0.499 nan 8.280 nan 0.000 0.567 63 L N 0.908 122.168 121.223 0.063 0.000 2.528 63 L HA 0.466 4.894 4.340 0.147 0.000 0.267 63 L C 0.430 177.354 176.870 0.089 0.000 0.961 63 L CA 1.114 55.986 54.840 0.052 0.000 0.866 63 L CB 1.288 43.407 42.059 0.101 0.000 1.248 63 L HN 1.260 nan 8.230 nan 0.000 0.404 64 G N 4.371 113.241 108.800 0.115 0.000 2.601 64 G HA2 -0.247 3.801 3.960 0.147 0.000 0.261 64 G HA3 -0.247 3.801 3.960 0.147 0.000 0.261 64 G C -0.240 174.588 174.900 -0.120 0.000 1.289 64 G CA 0.138 45.231 45.100 -0.010 0.000 0.920 64 G HN 0.769 nan 8.290 nan 0.000 0.571 65 R N 0.467 120.772 120.500 -0.325 0.000 2.564 65 R HA 0.368 4.796 4.340 0.147 0.000 0.282 65 R C -2.101 174.015 176.300 -0.306 0.000 1.573 65 R CA -1.354 54.613 56.100 -0.222 0.000 1.588 65 R CB 1.832 32.078 30.300 -0.091 0.000 1.154 65 R HN 0.259 nan 8.270 nan 0.000 0.606 66 P HA -0.064 nan 4.420 nan 0.000 0.234 66 P C -0.597 176.662 177.300 -0.068 0.000 1.167 66 P CA 0.507 63.510 63.100 -0.161 0.000 0.763 66 P CB 0.282 32.030 31.700 0.081 0.000 0.835 67 D N -1.649 118.703 120.400 -0.081 0.000 2.751 67 D HA -0.158 4.570 4.640 0.147 0.000 0.233 67 D C 1.120 177.378 176.300 -0.070 0.000 1.149 67 D CA 1.661 55.617 54.000 -0.073 0.000 0.682 67 D CB -1.856 38.911 40.800 -0.054 0.000 1.068 67 D HN 0.382 nan 8.370 nan 0.000 0.429 68 G N -0.597 108.168 108.800 -0.059 0.000 2.147 68 G HA2 -0.302 3.746 3.960 0.147 0.000 0.244 68 G HA3 -0.302 3.746 3.960 0.147 0.000 0.244 68 G C 0.264 175.111 174.900 -0.088 0.000 1.005 68 G CA 0.295 45.354 45.100 -0.069 0.000 0.713 68 G HN 0.552 nan 8.290 nan 0.000 0.515 69 I N 0.375 120.889 120.570 -0.094 0.000 2.447 69 I HA 0.283 4.542 4.170 0.147 0.000 0.287 69 I C -2.411 173.491 176.117 -0.358 0.000 1.023 69 I CA -2.623 58.576 61.300 -0.169 0.000 1.083 69 I CB 2.606 40.531 38.000 -0.125 0.000 1.245 69 I HN -0.204 nan 8.210 nan 0.000 0.434 70 P HA 0.128 nan 4.420 nan 0.000 0.260 70 P C -0.529 176.236 177.300 -0.891 0.000 1.207 70 P CA 0.475 63.009 63.100 -0.943 0.000 0.780 70 P CB 0.151 31.602 31.700 -0.415 0.000 0.789 71 M N 6.332 125.107 119.600 -1.374 0.000 3.062 71 M HA 0.204 4.772 4.480 0.147 0.000 0.270 71 M C -1.576 174.656 176.300 -0.113 0.000 1.270 71 M CA -1.462 53.574 55.300 -0.440 0.000 0.702 71 M CB 1.725 34.319 32.600 -0.010 0.000 1.398 71 M HN 0.174 nan 8.290 nan 0.000 0.490 72 P HA -0.172 nan 4.420 nan 0.000 0.219 72 P C 0.393 177.802 177.300 0.183 0.000 1.146 72 P CA 1.362 64.654 63.100 0.319 0.000 0.808 72 P CB 0.229 32.096 31.700 0.278 0.000 0.779 73 D N 0.416 120.855 120.400 0.065 0.000 2.310 73 D HA -0.093 4.635 4.640 0.147 0.000 0.212 73 D C 1.614 177.901 176.300 -0.022 0.000 0.965 73 D CA 1.160 55.171 54.000 0.019 0.000 0.879 73 D CB 0.080 40.871 40.800 -0.015 0.000 0.921 73 D HN 0.503 nan 8.370 nan 0.000 0.510 74 K N -1.975 118.394 120.400 -0.052 0.000 2.585 74 K HA 0.088 4.496 4.320 0.147 0.000 0.210 74 K C 0.217 176.625 176.600 -0.320 0.000 1.294 74 K CA -0.206 55.942 56.287 -0.233 0.000 1.025 74 K CB 0.315 32.569 32.500 -0.409 0.000 1.076 74 K HN 0.038 nan 8.250 nan 0.000 0.613 75 Y N 1.421 121.855 120.300 0.223 0.000 2.768 75 Y HA 0.263 4.831 4.550 0.030 0.000 0.249 75 Y C 0.275 176.376 175.900 0.336 0.000 1.146 75 Y CA -0.872 57.406 58.100 0.297 0.000 1.171 75 Y CB 1.648 40.356 38.460 0.414 0.000 1.249 75 Y HN 0.022 nan 8.280 nan 0.000 0.567 76 S N 0.456 116.397 115.700 0.401 0.000 2.592 76 S HA 0.245 4.803 4.470 0.147 0.000 0.271 76 S C 0.797 175.480 174.600 0.138 0.000 1.326 76 S CA -0.326 58.055 58.200 0.303 0.000 1.024 76 S CB 0.719 64.091 63.200 0.287 0.000 0.921 76 S HN 0.517 nan 8.310 nan 0.000 0.527 77 L N 3.188 124.497 121.223 0.144 0.000 2.592 77 L HA 0.207 4.636 4.340 0.147 0.000 0.227 77 L C 2.248 178.870 176.870 -0.414 0.000 1.127 77 L CA 0.167 55.023 54.840 0.027 0.000 0.884 77 L CB -0.260 41.938 42.059 0.232 0.000 1.065 77 L HN 0.822 nan 8.230 nan 0.000 0.457 78 E N 1.247 120.971 120.200 -0.793 0.000 2.097 78 E HA -0.229 4.209 4.350 0.147 0.000 0.196 78 E C -0.693 175.574 176.600 -0.555 0.000 1.000 78 E CA 1.338 57.001 56.400 -1.228 0.000 0.804 78 E CB -0.331 28.949 29.700 -0.699 0.000 0.740 78 E HN 0.337 nan 8.360 nan 0.000 0.454 79 P HA -0.122 nan 4.420 nan 0.000 0.220 79 P C 1.257 178.440 177.300 -0.195 0.000 1.148 79 P CA 0.891 63.877 63.100 -0.191 0.000 0.803 79 P CB 0.138 31.768 31.700 -0.116 0.000 0.782 80 V N -0.080 119.705 119.914 -0.216 0.000 2.453 80 V HA -0.169 4.039 4.120 0.147 0.000 0.247 80 V C 2.425 178.382 176.094 -0.229 0.000 1.048 80 V CA 1.976 64.141 62.300 -0.226 0.000 1.049 80 V CB -1.680 30.034 31.823 -0.183 0.000 0.672 80 V HN 0.087 nan 8.190 nan 0.000 0.457 81 A N 0.178 122.859 122.820 -0.231 0.000 1.902 81 A HA -0.243 4.165 4.320 0.147 0.000 0.217 81 A C 1.989 179.499 177.584 -0.124 0.000 1.181 81 A CA 2.021 53.973 52.037 -0.141 0.000 0.623 81 A CB -0.545 18.344 19.000 -0.185 0.000 0.818 81 A HN 0.548 nan 8.150 nan 0.000 0.443 82 D N -0.690 119.616 120.400 -0.157 0.000 2.117 82 D HA -0.123 4.605 4.640 0.147 0.000 0.198 82 D C 1.922 178.163 176.300 -0.099 0.000 0.982 82 D CA 1.579 55.515 54.000 -0.108 0.000 0.828 82 D CB -0.304 40.432 40.800 -0.107 0.000 0.967 82 D HN 0.525 nan 8.370 nan 0.000 0.464 83 E N 0.934 121.058 120.200 -0.128 0.000 2.072 83 E HA -0.133 4.305 4.350 0.147 0.000 0.191 83 E C 1.972 178.496 176.600 -0.128 0.000 0.985 83 E CA 0.419 56.744 56.400 -0.125 0.000 0.801 83 E CB -0.417 29.192 29.700 -0.151 0.000 0.750 83 E HN 0.158 nan 8.360 nan 0.000 0.452 84 L N 1.025 122.151 121.223 -0.161 0.000 2.083 84 L HA -0.074 4.354 4.340 0.147 0.000 0.209 84 L C 2.220 179.053 176.870 -0.063 0.000 1.083 84 L CA 2.033 56.792 54.840 -0.135 0.000 0.752 84 L CB -0.597 41.372 42.059 -0.150 0.000 0.899 84 L HN 0.121 nan 8.230 nan 0.000 0.433 85 K N -0.733 119.637 120.400 -0.051 0.000 2.057 85 K HA -0.167 4.242 4.320 0.147 0.000 0.207 85 K C 2.156 178.740 176.600 -0.026 0.000 1.049 85 K CA 1.623 57.895 56.287 -0.025 0.000 0.931 85 K CB -0.182 32.306 32.500 -0.021 0.000 0.714 85 K HN 0.596 nan 8.250 nan 0.000 0.440 86 S N 0.825 116.503 115.700 -0.037 0.000 2.387 86 S HA -0.095 4.463 4.470 0.147 0.000 0.226 86 S C 2.066 176.649 174.600 -0.027 0.000 1.026 86 S CA 0.826 59.007 58.200 -0.031 0.000 0.972 86 S CB -0.529 62.649 63.200 -0.037 0.000 0.814 86 S HN 0.321 nan 8.310 nan 0.000 0.477 87 L N -0.248 120.954 121.223 -0.037 0.000 2.141 87 L HA 0.064 4.492 4.340 0.147 0.000 0.209 87 L C 1.986 178.848 176.870 -0.013 0.000 1.094 87 L CA 0.697 55.520 54.840 -0.028 0.000 0.763 87 L CB -0.364 41.670 42.059 -0.042 0.000 0.908 87 L HN 0.299 nan 8.230 nan 0.000 0.437 88 L N -0.978 120.239 121.223 -0.011 0.000 2.554 88 L HA 0.132 4.560 4.340 0.147 0.000 0.225 88 L C 0.651 177.522 176.870 0.002 0.000 1.104 88 L CA 0.320 55.161 54.840 0.001 0.000 0.866 88 L CB -0.418 41.646 42.059 0.008 0.000 1.047 88 L HN 0.219 nan 8.230 nan 0.000 0.468 89 N N 0.663 119.362 118.700 -0.003 0.000 2.727 89 N HA -0.230 4.598 4.740 0.147 0.000 0.249 89 N C 0.064 175.575 175.510 0.002 0.000 1.048 89 N CA 0.807 53.856 53.050 -0.001 0.000 0.714 89 N CB -0.719 37.768 38.487 0.000 0.000 0.959 89 N HN 0.274 nan 8.380 nan 0.000 0.544 90 K N 1.012 121.414 120.400 0.004 0.000 2.535 90 K HA 0.198 4.606 4.320 0.147 0.000 0.251 90 K C -1.133 175.475 176.600 0.012 0.000 0.942 90 K CA -0.516 55.776 56.287 0.008 0.000 0.798 90 K CB 1.645 34.151 32.500 0.011 0.000 1.267 90 K HN -0.092 nan 8.250 nan 0.000 0.434 91 D N 1.750 122.158 120.400 0.014 0.000 2.472 91 D HA 0.050 4.778 4.640 0.147 0.000 0.237 91 D C -0.371 175.948 176.300 0.031 0.000 1.141 91 D CA 0.419 54.431 54.000 0.021 0.000 0.875 91 D CB 1.060 41.873 40.800 0.021 0.000 1.192 91 D HN 0.089 nan 8.370 nan 0.000 0.450 92 V N 4.062 124.002 119.914 0.043 0.000 2.483 92 V HA 0.254 4.462 4.120 0.147 0.000 0.297 92 V C 0.370 176.521 176.094 0.095 0.000 1.027 92 V CA -0.734 61.606 62.300 0.067 0.000 0.855 92 V CB 1.594 33.458 31.823 0.069 0.000 0.995 92 V HN 0.331 nan 8.190 nan 0.000 0.424 93 I N 5.568 126.194 120.570 0.094 0.000 2.363 93 I HA 0.218 4.476 4.170 0.147 0.000 0.292 93 I C -0.363 175.848 176.117 0.157 0.000 1.075 93 I CA 0.083 61.444 61.300 0.101 0.000 1.333 93 I CB 0.182 38.215 38.000 0.055 0.000 1.415 93 I HN 0.499 nan 8.210 nan 0.000 0.502 94 F N 8.187 128.152 119.950 0.025 0.000 2.411 94 F HA 0.468 5.081 4.527 0.143 0.000 0.355 94 F C -0.435 175.385 175.800 0.033 0.000 1.117 94 F CA -0.610 57.409 58.000 0.031 0.000 1.139 94 F CB 0.544 39.562 39.000 0.031 0.000 1.120 94 F HN 0.212 nan 8.300 nan 0.000 0.493 95 L N 7.232 128.111 121.223 -0.572 0.000 2.312 95 L HA 0.300 4.728 4.340 0.147 0.000 0.281 95 L C 1.170 177.595 176.870 -0.743 0.000 1.070 95 L CA -0.963 53.600 54.840 -0.461 0.000 0.805 95 L CB 1.251 43.158 42.059 -0.254 0.000 1.174 95 L HN 0.530 nan 8.230 nan 0.000 0.434 96 K N 0.933 121.108 120.400 -0.373 0.000 2.574 96 K HA 0.007 4.415 4.320 0.147 0.000 0.193 96 K C -0.058 176.485 176.600 -0.096 0.000 1.035 96 K CA 0.563 56.725 56.287 -0.208 0.000 0.982 96 K CB -0.334 32.155 32.500 -0.018 0.000 0.795 96 K HN 0.554 nan 8.250 nan 0.000 0.491 97 D N -2.044 118.283 120.400 -0.121 0.000 2.759 97 D HA 0.129 4.857 4.640 0.147 0.000 0.321 97 D C -0.162 176.115 176.300 -0.039 0.000 1.267 97 D CA -0.522 53.489 54.000 0.019 0.000 0.933 97 D CB 1.008 41.869 40.800 0.101 0.000 1.431 97 D HN 0.008 nan 8.370 nan 0.000 0.504 98 C N 0.037 119.350 119.300 0.022 0.000 3.491 98 C HA 0.700 5.248 4.460 0.147 0.000 0.298 98 C C 0.304 175.209 174.990 -0.141 0.000 1.424 98 C CA 0.144 59.122 59.018 -0.066 0.000 1.772 98 C CB -0.990 26.730 27.740 -0.032 0.000 2.447 98 C HN 0.379 nan 8.230 nan 0.000 0.670 99 V N -2.125 117.729 119.914 -0.101 0.000 3.206 99 V HA 1.024 5.232 4.120 0.147 0.000 0.305 99 V C -0.093 175.983 176.094 -0.029 0.000 1.257 99 V CA 0.093 62.321 62.300 -0.121 0.000 1.057 99 V CB 0.836 32.555 31.823 -0.174 0.000 1.075 99 V HN 1.868 nan 8.190 nan 0.000 0.443 100 G N 1.257 110.042 108.800 -0.024 0.000 2.570 100 G HA2 0.079 4.127 3.960 0.147 0.000 0.686 100 G HA3 0.079 4.127 3.960 0.147 0.000 0.686 100 G C -2.343 172.551 174.900 -0.010 0.000 1.257 100 G CA -0.061 45.042 45.100 0.004 0.000 0.846 100 G HN 0.772 nan 8.290 nan 0.000 0.627 101 P HA -0.047 nan 4.420 nan 0.000 0.216 101 P C 1.598 178.892 177.300 -0.009 0.000 1.150 101 P CA 1.824 64.921 63.100 -0.006 0.000 0.843 101 P CB 0.150 31.851 31.700 0.001 0.000 0.787 102 E N -0.835 119.361 120.200 -0.006 0.000 2.051 102 E HA -0.116 4.322 4.350 0.147 0.000 0.192 102 E C 2.036 178.623 176.600 -0.022 0.000 0.991 102 E CA 0.943 57.337 56.400 -0.010 0.000 0.799 102 E CB -1.314 28.383 29.700 -0.005 0.000 0.748 102 E HN 0.032 nan 8.360 nan 0.000 0.449 103 V N 0.972 120.868 119.914 -0.030 0.000 2.307 103 V HA -0.240 3.969 4.120 0.147 0.000 0.245 103 V C 2.344 178.411 176.094 -0.045 0.000 1.045 103 V CA 1.928 64.200 62.300 -0.047 0.000 1.024 103 V CB -0.516 31.269 31.823 -0.062 0.000 0.651 103 V HN 0.229 nan 8.190 nan 0.000 0.449 104 E N 0.745 120.920 120.200 -0.042 0.000 2.070 104 E HA -0.298 4.140 4.350 0.147 0.000 0.197 104 E C 2.144 178.727 176.600 -0.028 0.000 1.004 104 E CA 2.090 58.467 56.400 -0.039 0.000 0.805 104 E CB -0.452 29.227 29.700 -0.035 0.000 0.744 104 E HN 0.564 nan 8.360 nan 0.000 0.451 105 Q N 0.121 119.908 119.800 -0.022 0.000 2.079 105 Q HA 0.037 4.465 4.340 0.147 0.000 0.200 105 Q C 2.016 178.007 176.000 -0.016 0.000 0.974 105 Q CA 2.248 58.041 55.803 -0.016 0.000 0.840 105 Q CB -0.824 27.907 28.738 -0.011 0.000 0.898 105 Q HN 0.325 nan 8.270 nan 0.000 0.430 106 A N -0.989 121.820 122.820 -0.019 0.000 2.019 106 A HA -0.140 4.268 4.320 0.147 0.000 0.219 106 A C 2.122 179.696 177.584 -0.017 0.000 1.164 106 A CA 1.502 53.528 52.037 -0.017 0.000 0.644 106 A CB -0.611 18.375 19.000 -0.023 0.000 0.805 106 A HN 0.578 nan 8.150 nan 0.000 0.449 107 C N -1.734 117.552 119.300 -0.023 0.000 2.912 107 C HA 0.488 5.036 4.460 0.147 0.000 0.274 107 C C 2.939 177.918 174.990 -0.019 0.000 1.248 107 C CA -0.421 58.584 59.018 -0.022 0.000 1.694 107 C CB -0.861 26.861 27.740 -0.031 0.000 2.024 107 C HN 0.708 nan 8.230 nan 0.000 0.605 108 A N 1.839 124.648 122.820 -0.018 0.000 1.884 108 A HA -0.224 4.184 4.320 0.147 0.000 0.219 108 A C 1.248 178.826 177.584 -0.011 0.000 1.197 108 A CA 2.583 54.610 52.037 -0.016 0.000 0.637 108 A CB -0.386 18.605 19.000 -0.014 0.000 0.827 108 A HN 0.616 nan 8.150 nan 0.000 0.450 109 N N -1.316 117.378 118.700 -0.009 0.000 2.732 109 N HA 0.316 5.144 4.740 0.147 0.000 0.230 109 N C -3.211 172.296 175.510 -0.005 0.000 1.487 109 N CA -1.114 51.932 53.050 -0.007 0.000 0.765 109 N CB 0.441 38.925 38.487 -0.006 0.000 1.384 109 N HN 0.042 nan 8.380 nan 0.000 0.530 110 P HA 0.149 nan 4.420 nan 0.000 0.271 110 P C -0.545 176.755 177.300 -0.001 0.000 1.233 110 P CA -0.006 63.093 63.100 -0.002 0.000 0.789 110 P CB 0.573 32.272 31.700 -0.002 0.000 0.951 111 D N 1.047 121.448 120.400 0.001 0.000 2.399 111 D HA 0.016 4.744 4.640 0.147 0.000 0.241 111 D C 0.252 176.552 176.300 0.000 0.000 1.133 111 D CA 0.243 54.243 54.000 0.001 0.000 0.890 111 D CB 0.200 41.001 40.800 0.003 0.000 1.201 111 D HN 0.271 nan 8.370 nan 0.000 0.432 112 N N 0.578 119.277 118.700 -0.001 0.000 2.292 112 N HA 0.043 4.871 4.740 0.147 0.000 0.258 112 N C 1.309 176.817 175.510 -0.002 0.000 1.261 112 N CA 0.991 54.039 53.050 -0.003 0.000 0.845 112 N CB 0.813 39.298 38.487 -0.004 0.000 1.064 112 N HN 0.707 nan 8.380 nan 0.000 0.471 113 G N 1.007 109.805 108.800 -0.004 0.000 2.157 113 G HA2 -0.276 3.772 3.960 0.147 0.000 0.248 113 G HA3 -0.276 3.772 3.960 0.147 0.000 0.248 113 G C 0.019 174.921 174.900 0.003 0.000 0.979 113 G CA 0.070 45.169 45.100 -0.002 0.000 0.650 113 G HN 0.555 nan 8.290 nan 0.000 0.529 114 S N 0.182 115.884 115.700 0.004 0.000 2.531 114 S HA 0.526 5.084 4.470 0.147 0.000 0.279 114 S C 0.520 175.128 174.600 0.014 0.000 1.305 114 S CA 0.149 58.355 58.200 0.010 0.000 1.058 114 S CB 0.741 63.946 63.200 0.008 0.000 0.899 114 S HN 0.372 nan 8.310 nan 0.000 0.493 115 I N 4.596 125.181 120.570 0.024 0.000 2.355 115 I HA 0.420 4.678 4.170 0.147 0.000 0.288 115 I C -0.564 175.582 176.117 0.049 0.000 0.999 115 I CA -0.251 61.070 61.300 0.035 0.000 1.163 115 I CB 0.939 38.965 38.000 0.043 0.000 1.316 115 I HN 0.437 nan 8.210 nan 0.000 0.454 116 I N 6.935 127.533 120.570 0.046 0.000 2.433 116 I HA 0.364 4.622 4.170 0.147 0.000 0.292 116 I C -0.952 175.211 176.117 0.077 0.000 1.001 116 I CA -0.844 60.487 61.300 0.052 0.000 1.119 116 I CB 2.254 40.264 38.000 0.017 0.000 1.289 116 I HN 0.328 nan 8.210 nan 0.000 0.438 117 L N 7.565 128.863 121.223 0.126 0.000 2.319 117 L HA 0.547 4.975 4.340 0.147 0.000 0.281 117 L C -0.700 176.226 176.870 0.094 0.000 1.005 117 L CA -0.165 54.789 54.840 0.190 0.000 0.828 117 L CB 1.092 43.362 42.059 0.352 0.000 1.227 117 L HN 0.447 nan 8.230 nan 0.000 0.415 118 L N 2.261 123.496 121.223 0.020 0.000 2.475 118 L HA 0.390 4.818 4.340 0.147 0.000 0.253 118 L C 0.462 177.280 176.870 -0.087 0.000 1.198 118 L CA -0.563 54.218 54.840 -0.098 0.000 0.814 118 L CB 0.664 42.683 42.059 -0.066 0.000 1.134 118 L HN 0.611 nan 8.230 nan 0.000 0.478 119 E N 1.004 121.085 120.200 -0.198 0.000 2.345 119 E HA 0.011 4.449 4.350 0.147 0.000 0.259 119 E C -0.079 176.444 176.600 -0.129 0.000 1.117 119 E CA -0.497 55.828 56.400 -0.124 0.000 0.913 119 E CB 0.490 30.101 29.700 -0.148 0.000 1.057 119 E HN 0.380 nan 8.360 nan 0.000 0.432 120 N N 2.588 121.089 118.700 -0.331 0.000 2.142 120 N HA -0.147 4.681 4.740 0.147 0.000 0.282 120 N C 0.621 175.988 175.510 -0.238 0.000 1.342 120 N CA 0.446 53.226 53.050 -0.449 0.000 0.831 120 N CB 0.199 38.012 38.487 -1.123 0.000 1.083 120 N HN 0.558 nan 8.380 nan 0.000 0.492 121 L N 3.828 125.059 121.223 0.013 0.000 2.201 121 L HA -0.083 4.345 4.340 0.147 0.000 0.212 121 L C 1.988 178.977 176.870 0.199 0.000 1.105 121 L CA 0.984 55.935 54.840 0.184 0.000 0.775 121 L CB -0.100 42.087 42.059 0.212 0.000 0.913 121 L HN 0.461 nan 8.230 nan 0.000 0.440 122 R N -0.976 119.593 120.500 0.115 0.000 2.319 122 R HA -0.004 4.424 4.340 0.147 0.000 0.204 122 R C 1.191 177.640 176.300 0.248 0.000 0.954 122 R CA 0.057 56.216 56.100 0.099 0.000 1.066 122 R CB 0.008 30.325 30.300 0.028 0.000 0.991 122 R HN 0.180 nan 8.270 nan 0.000 0.486 123 F N -0.231 119.748 119.950 0.049 0.000 2.748 123 F HA 0.060 4.667 4.527 0.134 0.000 0.299 123 F C 0.283 175.929 175.800 -0.256 0.000 1.154 123 F CA 0.160 58.123 58.000 -0.062 0.000 1.446 123 F CB -0.282 38.705 39.000 -0.022 0.000 1.112 123 F HN -0.010 nan 8.300 nan 0.000 0.584 124 H N -2.054 117.068 119.070 0.087 0.000 2.505 124 H HA 0.270 4.915 4.556 0.148 0.000 0.338 124 H C 0.884 176.062 175.328 -0.249 0.000 1.057 124 H CA -0.419 55.562 56.048 -0.112 0.000 1.202 124 H CB 2.305 31.927 29.762 -0.233 0.000 1.466 124 H HN -0.199 nan 8.280 nan 0.000 0.499 125 V N 2.959 122.793 119.914 -0.134 0.000 2.594 125 V HA -0.219 3.989 4.120 0.147 0.000 0.253 125 V C 1.210 177.146 176.094 -0.264 0.000 1.069 125 V CA 1.997 64.196 62.300 -0.170 0.000 1.082 125 V CB -0.156 31.593 31.823 -0.122 0.000 0.680 125 V HN 0.762 nan 8.190 nan 0.000 0.469 126 E N 0.151 120.106 120.200 -0.408 0.000 2.204 126 E HA -0.227 4.211 4.350 0.147 0.000 0.195 126 E C 1.945 178.218 176.600 -0.545 0.000 0.990 126 E CA 1.309 57.391 56.400 -0.531 0.000 0.821 126 E CB -0.219 29.033 29.700 -0.746 0.000 0.750 126 E HN 0.795 nan 8.360 nan 0.000 0.477 127 E N 1.423 121.256 120.200 -0.612 0.000 2.007 127 E HA -0.202 4.236 4.350 0.147 0.000 0.194 127 E C 1.477 177.908 176.600 -0.282 0.000 0.999 127 E CA 1.732 57.986 56.400 -0.243 0.000 0.811 127 E CB -0.080 29.552 29.700 -0.114 0.000 0.762 127 E HN 0.336 nan 8.360 nan 0.000 0.450 128 E N -1.408 118.523 120.200 -0.449 0.000 2.299 128 E HA 0.100 4.538 4.350 0.147 0.000 0.193 128 E C 1.034 177.484 176.600 -0.250 0.000 0.998 128 E CA 0.472 56.489 56.400 -0.637 0.000 0.851 128 E CB 0.190 29.518 29.700 -0.619 0.000 0.795 128 E HN 0.512 nan 8.360 nan 0.000 0.492 129 G N 1.770 110.454 108.800 -0.193 0.000 2.195 129 G HA2 -0.288 3.760 3.960 0.147 0.000 0.246 129 G HA3 -0.288 3.760 3.960 0.147 0.000 0.246 129 G C 0.170 175.010 174.900 -0.100 0.000 0.984 129 G CA 0.762 45.794 45.100 -0.113 0.000 0.633 129 G HN 0.326 nan 8.290 nan 0.000 0.525 130 K N -1.860 118.468 120.400 -0.121 0.000 2.672 130 K HA 0.863 5.271 4.320 0.147 0.000 0.295 130 K C 0.183 176.722 176.600 -0.101 0.000 1.042 130 K CA 0.089 56.321 56.287 -0.092 0.000 0.869 130 K CB 0.784 33.245 32.500 -0.064 0.000 1.541 130 K HN 1.637 nan 8.250 nan 0.000 0.396 131 G N -0.261 108.493 108.800 -0.077 0.000 2.435 131 G HA2 0.442 4.490 3.960 0.147 0.000 0.228 131 G HA3 0.442 4.490 3.960 0.147 0.000 0.228 131 G C -1.718 173.151 174.900 -0.053 0.000 1.198 131 G CA -0.924 44.133 45.100 -0.072 0.000 0.948 131 G HN 0.514 nan 8.290 nan 0.000 0.487 132 K N 0.547 120.917 120.400 -0.050 0.000 2.502 132 K HA 0.485 4.893 4.320 0.147 0.000 0.257 132 K C -1.123 175.453 176.600 -0.041 0.000 0.938 132 K CA -0.741 55.523 56.287 -0.038 0.000 0.819 132 K CB 2.516 34.998 32.500 -0.029 0.000 1.333 132 K HN 0.736 nan 8.250 nan 0.000 0.434 133 D N -0.312 120.067 120.400 -0.035 0.000 2.453 133 D HA 0.015 4.743 4.640 0.147 0.000 0.282 133 D C 1.049 177.330 176.300 -0.033 0.000 1.222 133 D CA -0.397 53.580 54.000 -0.037 0.000 1.079 133 D CB 0.141 40.922 40.800 -0.032 0.000 1.128 133 D HN 0.361 nan 8.370 nan 0.000 0.568 134 S N -1.230 114.450 115.700 -0.032 0.000 2.423 134 S HA -0.160 4.398 4.470 0.147 0.000 0.231 134 S C 1.748 176.336 174.600 -0.020 0.000 1.014 134 S CA 0.901 59.084 58.200 -0.028 0.000 0.965 134 S CB -0.977 62.205 63.200 -0.030 0.000 0.785 134 S HN 0.547 nan 8.310 nan 0.000 0.495 135 S N 0.330 116.019 115.700 -0.019 0.000 2.558 135 S HA 0.465 5.023 4.470 0.147 0.000 0.217 135 S C 1.548 176.141 174.600 -0.012 0.000 0.975 135 S CA 0.347 58.539 58.200 -0.014 0.000 0.912 135 S CB -0.379 62.812 63.200 -0.013 0.000 0.776 135 S HN 1.421 nan 8.310 nan 0.000 0.526 136 G N 0.317 109.109 108.800 -0.013 0.000 2.141 136 G HA2 -0.200 3.848 3.960 0.147 0.000 0.231 136 G HA3 -0.200 3.848 3.960 0.147 0.000 0.231 136 G C -0.224 174.669 174.900 -0.013 0.000 0.984 136 G CA -0.181 44.913 45.100 -0.011 0.000 0.660 136 G HN 0.481 nan 8.290 nan 0.000 0.525 137 K N 1.219 121.610 120.400 -0.016 0.000 2.234 137 K HA 0.536 4.944 4.320 0.147 0.000 0.282 137 K C 0.628 177.215 176.600 -0.021 0.000 1.039 137 K CA -0.290 55.987 56.287 -0.016 0.000 0.928 137 K CB 0.846 33.336 32.500 -0.016 0.000 1.039 137 K HN 0.297 nan 8.250 nan 0.000 0.470 138 K N 3.435 123.823 120.400 -0.020 0.000 2.412 138 K HA 0.220 4.628 4.320 0.147 0.000 0.281 138 K C 0.270 176.855 176.600 -0.026 0.000 1.027 138 K CA 0.024 56.297 56.287 -0.024 0.000 0.989 138 K CB 0.124 32.612 32.500 -0.021 0.000 0.935 138 K HN 0.590 nan 8.250 nan 0.000 0.475 139 I N -1.938 118.612 120.570 -0.033 0.000 2.892 139 I HA 0.457 4.715 4.170 0.147 0.000 0.306 139 I C -0.564 175.529 176.117 -0.040 0.000 1.078 139 I CA -0.902 60.377 61.300 -0.034 0.000 1.032 139 I CB 2.239 40.217 38.000 -0.037 0.000 1.229 139 I HN 0.319 nan 8.210 nan 0.000 0.435 140 S N 2.695 118.373 115.700 -0.037 0.000 2.454 140 S HA 0.774 5.332 4.470 0.147 0.000 0.306 140 S C -0.033 174.541 174.600 -0.044 0.000 1.100 140 S CA -0.406 57.770 58.200 -0.040 0.000 1.087 140 S CB 1.242 64.424 63.200 -0.030 0.000 1.019 140 S HN 0.965 nan 8.310 nan 0.000 0.480 141 A N 3.541 126.328 122.820 -0.056 0.000 2.483 141 A HA 0.222 4.630 4.320 0.147 0.000 0.238 141 A C 0.364 177.923 177.584 -0.041 0.000 1.070 141 A CA -0.270 51.730 52.037 -0.061 0.000 0.770 141 A CB 0.047 18.994 19.000 -0.089 0.000 1.008 141 A HN 0.906 nan 8.150 nan 0.000 0.497 142 D N 2.453 122.832 120.400 -0.034 0.000 2.351 142 D HA 0.153 4.881 4.640 0.147 0.000 0.251 142 D C -1.645 174.646 176.300 -0.015 0.000 1.137 142 D CA -1.425 52.563 54.000 -0.020 0.000 0.879 142 D CB 1.084 41.876 40.800 -0.013 0.000 1.181 142 D HN 0.127 nan 8.370 nan 0.000 0.448 143 P HA -0.198 nan 4.420 nan 0.000 0.216 143 P C 1.047 178.349 177.300 0.003 0.000 1.157 143 P CA 2.029 65.126 63.100 -0.004 0.000 0.880 143 P CB 0.126 31.824 31.700 -0.004 0.000 0.791 144 A N -0.356 122.467 122.820 0.004 0.000 1.902 144 A HA -0.228 4.180 4.320 0.147 0.000 0.217 144 A C 2.074 179.671 177.584 0.021 0.000 1.181 144 A CA 1.753 53.796 52.037 0.011 0.000 0.623 144 A CB -0.962 18.043 19.000 0.008 0.000 0.818 144 A HN 0.074 nan 8.150 nan 0.000 0.443 145 K N -0.157 120.253 120.400 0.018 0.000 2.057 145 K HA -0.073 4.335 4.320 0.147 0.000 0.207 145 K C 2.019 178.651 176.600 0.053 0.000 1.049 145 K CA 1.356 57.662 56.287 0.031 0.000 0.931 145 K CB -1.038 31.467 32.500 0.009 0.000 0.714 145 K HN 0.371 nan 8.250 nan 0.000 0.440 146 V N 2.208 122.138 119.914 0.027 0.000 2.255 146 V HA -0.219 3.989 4.120 0.147 0.000 0.247 146 V C 2.436 178.590 176.094 0.099 0.000 1.051 146 V CA 1.750 64.078 62.300 0.047 0.000 1.018 146 V CB -0.382 31.449 31.823 0.013 0.000 0.641 146 V HN 0.281 nan 8.190 nan 0.000 0.445 147 E N 0.200 120.434 120.200 0.056 0.000 2.085 147 E HA -0.214 4.224 4.350 0.147 0.000 0.194 147 E C 2.349 178.979 176.600 0.049 0.000 0.994 147 E CA 1.636 58.061 56.400 0.043 0.000 0.801 147 E CB -0.479 29.233 29.700 0.020 0.000 0.743 147 E HN 0.583 nan 8.360 nan 0.000 0.453 148 A N 0.390 123.247 122.820 0.062 0.000 1.930 148 A HA -0.156 4.252 4.320 0.147 0.000 0.217 148 A C 2.064 179.696 177.584 0.080 0.000 1.175 148 A CA 1.057 53.127 52.037 0.055 0.000 0.627 148 A CB -0.716 18.318 19.000 0.056 0.000 0.815 148 A HN 0.282 nan 8.150 nan 0.000 0.443 149 F N 0.804 120.727 119.950 -0.045 0.000 2.102 149 F HA -0.142 4.474 4.527 0.149 0.000 0.298 149 F C 2.386 178.146 175.800 -0.068 0.000 1.105 149 F CA 1.852 59.810 58.000 -0.069 0.000 1.239 149 F CB -0.200 38.761 39.000 -0.065 0.000 0.991 149 F HN 0.116 nan 8.300 nan 0.000 0.474 150 R N 0.047 120.576 120.500 0.050 0.000 2.092 150 R HA -0.067 4.361 4.340 0.147 0.000 0.231 150 R C 2.425 178.652 176.300 -0.123 0.000 1.119 150 R CA 1.112 57.169 56.100 -0.072 0.000 0.970 150 R CB -0.838 29.465 30.300 0.006 0.000 0.864 150 R HN 0.369 nan 8.270 nan 0.000 0.440 151 A N 0.406 123.181 122.820 -0.075 0.000 1.969 151 A HA -0.166 4.242 4.320 0.147 0.000 0.218 151 A C 2.186 179.707 177.584 -0.104 0.000 1.169 151 A CA 1.735 53.727 52.037 -0.075 0.000 0.635 151 A CB -0.470 18.505 19.000 -0.041 0.000 0.810 151 A HN 0.292 nan 8.150 nan 0.000 0.445 152 S N -0.398 115.218 115.700 -0.140 0.000 2.355 152 S HA -0.066 4.492 4.470 0.147 0.000 0.222 152 S C 1.926 176.401 174.600 -0.209 0.000 1.031 152 S CA 1.319 59.419 58.200 -0.166 0.000 0.993 152 S CB -0.465 62.619 63.200 -0.193 0.000 0.859 152 S HN 0.500 nan 8.310 nan 0.000 0.453 153 L N 1.141 122.178 121.223 -0.310 0.000 2.083 153 L HA -0.058 4.370 4.340 0.147 0.000 0.209 153 L C 2.660 179.438 176.870 -0.154 0.000 1.083 153 L CA 1.210 55.886 54.840 -0.273 0.000 0.752 153 L CB -0.644 41.203 42.059 -0.353 0.000 0.899 153 L HN 0.298 nan 8.230 nan 0.000 0.433 154 S N -0.106 115.510 115.700 -0.140 0.000 2.399 154 S HA -0.161 4.397 4.470 0.147 0.000 0.231 154 S C 1.817 176.379 174.600 -0.064 0.000 1.022 154 S CA 1.199 59.342 58.200 -0.096 0.000 0.983 154 S CB -0.138 63.001 63.200 -0.101 0.000 0.803 154 S HN 0.404 nan 8.310 nan 0.000 0.480 155 K N 1.038 121.395 120.400 -0.071 0.000 2.432 155 K HA 0.168 4.576 4.320 0.147 0.000 0.196 155 K C 1.297 177.870 176.600 -0.045 0.000 1.038 155 K CA 0.431 56.687 56.287 -0.052 0.000 0.986 155 K CB -0.166 32.301 32.500 -0.054 0.000 0.782 155 K HN 0.342 nan 8.250 nan 0.000 0.485 156 L N 0.033 121.224 121.223 -0.054 0.000 2.552 156 L HA 0.062 4.490 4.340 0.147 0.000 0.227 156 L C 1.002 177.859 176.870 -0.022 0.000 1.146 156 L CA -0.043 54.771 54.840 -0.043 0.000 0.858 156 L CB -0.221 41.803 42.059 -0.059 0.000 0.969 156 L HN 0.120 nan 8.230 nan 0.000 0.451 157 G N -1.530 107.264 108.800 -0.010 0.000 2.692 157 G HA2 0.309 4.357 3.960 0.147 0.000 0.291 157 G HA3 0.309 4.357 3.960 0.147 0.000 0.291 157 G C -0.704 174.203 174.900 0.011 0.000 1.423 157 G CA -0.377 44.726 45.100 0.006 0.000 0.843 157 G HN -0.167 nan 8.290 nan 0.000 0.486 158 D N -0.964 119.444 120.400 0.014 0.000 2.355 158 D HA 0.087 4.815 4.640 0.147 0.000 0.206 158 D C 1.089 177.407 176.300 0.030 0.000 1.010 158 D CA 1.008 55.017 54.000 0.014 0.000 0.875 158 D CB 1.223 42.028 40.800 0.009 0.000 0.966 158 D HN 0.449 nan 8.370 nan 0.000 0.512 159 V N -1.344 118.596 119.914 0.043 0.000 2.760 159 V HA 0.489 4.697 4.120 0.147 0.000 0.309 159 V C -1.221 174.939 176.094 0.110 0.000 1.077 159 V CA -1.255 61.085 62.300 0.066 0.000 0.910 159 V CB 1.900 33.748 31.823 0.042 0.000 1.008 159 V HN -0.046 nan 8.190 nan 0.000 0.424 160 Y N 3.562 123.853 120.300 -0.015 0.000 2.330 160 Y HA 0.807 5.444 4.550 0.145 0.000 0.336 160 Y C -0.629 175.262 175.900 -0.015 0.000 1.036 160 Y CA -0.701 57.387 58.100 -0.020 0.000 1.125 160 Y CB 1.879 40.327 38.460 -0.020 0.000 1.194 160 Y HN 0.667 nan 8.280 nan 0.000 0.469 161 V N 6.495 126.038 119.914 -0.617 0.000 2.531 161 V HA 0.311 4.519 4.120 0.147 0.000 0.301 161 V C -0.946 174.669 176.094 -0.798 0.000 1.034 161 V CA -1.075 60.905 62.300 -0.533 0.000 0.865 161 V CB 1.738 33.395 31.823 -0.277 0.000 0.995 161 V HN 0.786 nan 8.190 nan 0.000 0.424 162 N N 2.767 121.143 118.700 -0.540 0.000 2.511 162 N HA 0.332 5.160 4.740 0.147 0.000 0.249 162 N C -0.418 175.016 175.510 -0.126 0.000 0.971 162 N CA -0.170 52.675 53.050 -0.343 0.000 0.938 162 N CB 1.811 40.226 38.487 -0.121 0.000 1.131 162 N HN 0.701 nan 8.380 nan 0.000 0.505 163 D N 1.672 122.006 120.400 -0.110 0.000 2.479 163 D HA 0.266 4.994 4.640 0.147 0.000 0.218 163 D C -0.026 176.298 176.300 0.040 0.000 1.177 163 D CA -0.062 53.928 54.000 -0.017 0.000 0.830 163 D CB 0.382 41.153 40.800 -0.048 0.000 1.014 163 D HN 0.541 nan 8.370 nan 0.000 0.503 164 A N 0.673 123.505 122.820 0.019 0.000 3.063 164 A HA 0.136 4.544 4.320 0.147 0.000 0.263 164 A C 0.967 178.623 177.584 0.121 0.000 1.736 164 A CA -0.433 51.635 52.037 0.051 0.000 1.408 164 A CB -1.249 17.759 19.000 0.013 0.000 1.108 164 A HN 0.304 nan 8.150 nan 0.000 0.621 165 F N 1.703 121.688 119.950 0.058 0.000 2.171 165 F HA -0.057 4.560 4.527 0.149 0.000 0.300 165 F C 1.998 177.854 175.800 0.093 0.000 1.090 165 F CA 2.043 60.090 58.000 0.078 0.000 1.293 165 F CB -0.326 38.732 39.000 0.098 0.000 1.013 165 F HN 0.419 nan 8.300 nan 0.000 0.486 166 G N -1.359 107.476 108.800 0.058 0.000 2.501 166 G HA2 -0.192 3.856 3.960 0.147 0.000 0.220 166 G HA3 -0.192 3.856 3.960 0.147 0.000 0.220 166 G C 1.291 176.231 174.900 0.066 0.000 1.114 166 G CA 1.416 46.519 45.100 0.004 0.000 0.757 166 G HN 0.435 nan 8.290 nan 0.000 0.559 167 T N 0.133 114.727 114.554 0.066 0.000 3.040 167 T HA 0.435 4.873 4.350 0.147 0.000 0.266 167 T C 2.420 177.097 174.700 -0.039 0.000 1.005 167 T CA 0.423 62.555 62.100 0.054 0.000 0.906 167 T CB 0.556 69.487 68.868 0.104 0.000 1.082 167 T HN 0.293 nan 8.240 nan 0.000 0.531 168 A N 2.367 125.167 122.820 -0.033 0.000 2.104 168 A HA -0.252 4.156 4.320 0.147 0.000 0.223 168 A C 1.796 179.356 177.584 -0.040 0.000 1.164 168 A CA 2.131 54.132 52.037 -0.059 0.000 0.659 168 A CB -0.950 17.971 19.000 -0.131 0.000 0.808 168 A HN 0.909 nan 8.150 nan 0.000 0.465 169 H N -2.693 116.243 119.070 -0.223 0.000 2.548 169 H HA 0.254 4.897 4.556 0.145 0.000 0.268 169 H C 0.345 175.551 175.328 -0.203 0.000 0.975 169 H CA -0.098 55.836 56.048 -0.189 0.000 1.195 169 H CB 0.084 29.733 29.762 -0.189 0.000 1.397 169 H HN 0.118 nan 8.280 nan 0.000 0.572 170 R N 1.662 121.822 120.500 -0.566 0.000 2.202 170 R HA 0.367 4.795 4.340 0.147 0.000 0.334 170 R C -0.291 175.704 176.300 -0.509 0.000 1.036 170 R CA -0.203 55.452 56.100 -0.741 0.000 0.878 170 R CB 0.970 30.593 30.300 -1.128 0.000 1.067 170 R HN 0.411 nan 8.270 nan 0.000 0.457 171 A N 4.969 127.573 122.820 -0.360 0.000 3.135 171 A HA 0.124 4.532 4.320 0.147 0.000 0.253 171 A C -0.211 177.352 177.584 -0.035 0.000 1.638 171 A CA -0.314 51.635 52.037 -0.146 0.000 1.295 171 A CB -0.591 18.365 19.000 -0.072 0.000 1.106 171 A HN 0.515 nan 8.150 nan 0.000 0.648 172 H N -0.394 118.644 119.070 -0.053 0.000 2.509 172 H HA 0.272 4.915 4.556 0.146 0.000 0.359 172 H C 1.501 176.839 175.328 0.016 0.000 1.253 172 H CA -0.514 55.514 56.048 -0.032 0.000 1.373 172 H CB 0.822 30.553 29.762 -0.053 0.000 1.555 172 H HN 0.347 nan 8.280 nan 0.000 0.586 173 S N 0.737 116.551 115.700 0.190 0.000 2.372 173 S HA -0.216 4.342 4.470 0.147 0.000 0.227 173 S C 2.084 176.767 174.600 0.139 0.000 1.044 173 S CA 1.997 60.302 58.200 0.175 0.000 1.050 173 S CB -0.321 63.069 63.200 0.317 0.000 0.901 173 S HN 0.779 nan 8.310 nan 0.000 0.447 174 S N 0.299 116.108 115.700 0.183 0.000 2.515 174 S HA 0.108 4.666 4.470 0.147 0.000 0.231 174 S C 1.535 176.231 174.600 0.161 0.000 0.987 174 S CA 0.560 58.842 58.200 0.136 0.000 0.936 174 S CB -0.197 63.095 63.200 0.154 0.000 0.766 174 S HN 0.258 nan 8.310 nan 0.000 0.528 175 M N 1.153 120.836 119.600 0.139 0.000 2.534 175 M HA 0.276 4.844 4.480 0.147 0.000 0.263 175 M C 1.707 178.056 176.300 0.082 0.000 1.152 175 M CA 0.727 56.105 55.300 0.130 0.000 1.145 175 M CB 0.134 32.768 32.600 0.057 0.000 1.333 175 M HN 0.488 nan 8.290 nan 0.000 0.477 176 V N -4.914 115.012 119.914 0.021 0.000 3.392 176 V HA 0.512 4.720 4.120 0.147 0.000 0.294 176 V C 1.194 177.245 176.094 -0.072 0.000 1.561 176 V CA 0.563 62.848 62.300 -0.026 0.000 1.056 176 V CB -0.267 31.551 31.823 -0.008 0.000 0.882 176 V HN 0.249 nan 8.190 nan 0.000 0.440 177 G N 0.618 109.373 108.800 -0.075 0.000 3.126 177 G HA2 0.313 4.361 3.960 0.147 0.000 0.224 177 G HA3 0.313 4.361 3.960 0.147 0.000 0.224 177 G C 0.346 175.146 174.900 -0.166 0.000 1.142 177 G CA 0.298 45.348 45.100 -0.084 0.000 0.759 177 G HN 0.375 nan 8.290 nan 0.000 0.550 178 V N 1.826 121.547 119.914 -0.323 0.000 2.439 178 V HA 0.117 4.325 4.120 0.147 0.000 0.271 178 V C -0.018 175.869 176.094 -0.344 0.000 1.040 178 V CA -0.539 61.508 62.300 -0.422 0.000 1.002 178 V CB 0.904 32.210 31.823 -0.861 0.000 1.000 178 V HN 0.296 nan 8.190 nan 0.000 0.477 179 N N 6.485 125.064 118.700 -0.202 0.000 2.801 179 N HA 0.441 5.269 4.740 0.147 0.000 0.235 179 N C -1.015 174.437 175.510 -0.096 0.000 1.069 179 N CA -0.080 52.890 53.050 -0.133 0.000 0.946 179 N CB 0.106 38.540 38.487 -0.089 0.000 1.212 179 N HN 0.651 nan 8.380 nan 0.000 0.509 180 L N 2.939 124.110 121.223 -0.087 0.000 2.333 180 L HA 0.545 4.973 4.340 0.147 0.000 0.263 180 L C -1.346 175.518 176.870 -0.009 0.000 1.014 180 L CA -2.201 52.621 54.840 -0.030 0.000 0.820 180 L CB 2.196 44.261 42.059 0.009 0.000 1.352 180 L HN 0.243 nan 8.230 nan 0.000 0.421 181 P HA -0.119 nan 4.420 nan 0.000 0.216 181 P C -0.518 176.797 177.300 0.026 0.000 1.150 181 P CA 1.295 64.401 63.100 0.010 0.000 0.837 181 P CB 0.274 31.980 31.700 0.011 0.000 0.786 182 Q N -0.331 119.496 119.800 0.044 0.000 2.333 182 Q HA 0.392 4.820 4.340 0.147 0.000 0.268 182 Q C -0.576 175.492 176.000 0.113 0.000 1.007 182 Q CA -0.478 55.363 55.803 0.063 0.000 0.810 182 Q CB 2.029 30.800 28.738 0.055 0.000 1.264 182 Q HN -0.002 nan 8.270 nan 0.000 0.452 183 K N 1.653 122.131 120.400 0.130 0.000 2.572 183 K HA 0.632 5.040 4.320 0.147 0.000 0.244 183 K C -1.211 175.488 176.600 0.165 0.000 0.965 183 K CA -0.311 56.126 56.287 0.249 0.000 0.943 183 K CB 1.673 34.307 32.500 0.224 0.000 1.154 183 K HN 0.577 nan 8.250 nan 0.000 0.447 184 A N 1.425 124.308 122.820 0.105 0.000 2.330 184 A HA 0.632 5.040 4.320 0.147 0.000 0.329 184 A C -0.113 177.478 177.584 0.012 0.000 1.135 184 A CA -0.720 51.348 52.037 0.051 0.000 0.817 184 A CB 1.051 20.072 19.000 0.034 0.000 1.269 184 A HN 0.623 nan 8.150 nan 0.000 0.469 185 S N 0.665 116.385 115.700 0.034 0.000 2.584 185 S HA 0.605 5.163 4.470 0.147 0.000 0.273 185 S C 0.586 175.205 174.600 0.031 0.000 1.311 185 S CA -0.017 58.203 58.200 0.034 0.000 1.034 185 S CB 1.031 64.271 63.200 0.067 0.000 0.939 185 S HN 1.430 nan 8.310 nan 0.000 0.513 186 G N 0.519 109.329 108.800 0.016 0.000 2.563 186 G HA2 0.438 4.486 3.960 0.147 0.000 0.283 186 G HA3 0.438 4.486 3.960 0.147 0.000 0.283 186 G C 0.379 175.397 174.900 0.197 0.000 1.309 186 G CA -1.025 44.084 45.100 0.015 0.000 1.022 186 G HN 0.764 nan 8.290 nan 0.000 0.501 187 F N -1.056 118.861 119.950 -0.054 0.000 2.146 187 F HA -0.070 4.545 4.527 0.146 0.000 0.298 187 F C 2.543 178.337 175.800 -0.010 0.000 1.096 187 F CA 0.261 58.233 58.000 -0.046 0.000 1.275 187 F CB 0.023 38.995 39.000 -0.045 0.000 1.008 187 F HN 0.252 nan 8.300 nan 0.000 0.480 188 L N 0.347 121.698 121.223 0.213 0.000 2.046 188 L HA -0.228 4.200 4.340 0.147 0.000 0.208 188 L C 2.338 179.267 176.870 0.098 0.000 1.077 188 L CA 1.596 56.522 54.840 0.143 0.000 0.747 188 L CB -0.779 41.367 42.059 0.146 0.000 0.896 188 L HN 0.127 nan 8.230 nan 0.000 0.432 189 M N 0.176 119.856 119.600 0.133 0.000 2.080 189 M HA -0.258 4.310 4.480 0.147 0.000 0.260 189 M C 2.130 178.484 176.300 0.091 0.000 1.068 189 M CA 2.468 57.865 55.300 0.162 0.000 1.109 189 M CB -0.385 32.313 32.600 0.164 0.000 1.342 189 M HN 0.414 nan 8.290 nan 0.000 0.405 190 K N -0.914 119.527 120.400 0.070 0.000 2.155 190 K HA -0.132 4.276 4.320 0.147 0.000 0.203 190 K C 2.136 178.718 176.600 -0.030 0.000 1.052 190 K CA 1.508 57.810 56.287 0.025 0.000 0.948 190 K CB -0.530 31.977 32.500 0.012 0.000 0.728 190 K HN 0.360 nan 8.250 nan 0.000 0.448 191 K N 1.094 121.476 120.400 -0.031 0.000 2.057 191 K HA -0.124 4.284 4.320 0.147 0.000 0.206 191 K C 1.916 178.475 176.600 -0.068 0.000 1.050 191 K CA 1.341 57.595 56.287 -0.055 0.000 0.935 191 K CB 0.132 32.641 32.500 0.015 0.000 0.715 191 K HN 0.160 nan 8.250 nan 0.000 0.439 192 E N 0.861 120.976 120.200 -0.141 0.000 2.031 192 E HA -0.187 4.251 4.350 0.147 0.000 0.193 192 E C 2.167 178.746 176.600 -0.036 0.000 0.994 192 E CA 1.125 57.341 56.400 -0.306 0.000 0.800 192 E CB -0.208 28.753 29.700 -1.231 0.000 0.752 192 E HN 0.354 nan 8.360 nan 0.000 0.447 193 L N 1.342 122.559 121.223 -0.010 0.000 2.012 193 L HA -0.226 4.202 4.340 0.147 0.000 0.210 193 L C 2.165 179.102 176.870 0.112 0.000 1.073 193 L CA 1.268 56.194 54.840 0.144 0.000 0.748 193 L CB -0.491 41.641 42.059 0.121 0.000 0.891 193 L HN 0.020 nan 8.230 nan 0.000 0.431 194 D N -0.881 119.510 120.400 -0.015 0.000 2.149 194 D HA -0.211 4.517 4.640 0.147 0.000 0.198 194 D C 2.033 178.225 176.300 -0.180 0.000 0.990 194 D CA 1.373 55.304 54.000 -0.114 0.000 0.839 194 D CB -0.238 40.435 40.800 -0.212 0.000 0.948 194 D HN 0.316 nan 8.370 nan 0.000 0.460 195 Y N -0.246 119.917 120.300 -0.228 0.000 2.114 195 Y HA -0.196 4.442 4.550 0.147 0.000 0.284 195 Y C 2.238 177.952 175.900 -0.310 0.000 1.143 195 Y CA 1.169 59.043 58.100 -0.378 0.000 1.135 195 Y CB -0.414 37.609 38.460 -0.729 0.000 0.980 195 Y HN -0.072 nan 8.280 nan 0.000 0.499 196 F N -1.283 118.732 119.950 0.109 0.000 2.365 196 F HA -0.187 4.428 4.527 0.148 0.000 0.300 196 F C 2.411 178.253 175.800 0.069 0.000 1.090 196 F CA 1.112 59.180 58.000 0.112 0.000 1.408 196 F CB -0.638 38.446 39.000 0.141 0.000 1.060 196 F HN -0.102 nan 8.300 nan 0.000 0.534 197 S N 0.241 116.045 115.700 0.174 0.000 2.338 197 S HA -0.167 4.391 4.470 0.147 0.000 0.218 197 S C 1.969 176.587 174.600 0.030 0.000 1.032 197 S CA 1.177 59.432 58.200 0.092 0.000 0.999 197 S CB -0.236 62.991 63.200 0.045 0.000 0.905 197 S HN 0.299 nan 8.310 nan 0.000 0.439 198 K N 1.429 121.805 120.400 -0.039 0.000 2.103 198 K HA -0.039 4.369 4.320 0.147 0.000 0.207 198 K C 2.252 178.799 176.600 -0.088 0.000 1.048 198 K CA 1.231 57.468 56.287 -0.083 0.000 0.930 198 K CB -0.300 32.108 32.500 -0.153 0.000 0.716 198 K HN 0.335 nan 8.250 nan 0.000 0.444 199 A N 0.857 123.631 122.820 -0.076 0.000 1.969 199 A HA -0.063 4.345 4.320 0.147 0.000 0.218 199 A C 1.925 179.505 177.584 -0.006 0.000 1.169 199 A CA 1.121 53.080 52.037 -0.130 0.000 0.635 199 A CB -0.297 18.666 19.000 -0.061 0.000 0.810 199 A HN 0.172 nan 8.150 nan 0.000 0.445 200 L N -1.604 119.681 121.223 0.103 0.000 2.529 200 L HA 0.084 4.512 4.340 0.147 0.000 0.223 200 L C 1.991 178.925 176.870 0.107 0.000 1.113 200 L CA 0.528 55.467 54.840 0.166 0.000 0.861 200 L CB -0.002 42.165 42.059 0.181 0.000 1.012 200 L HN 0.436 nan 8.230 nan 0.000 0.461 201 E N -0.392 119.838 120.200 0.050 0.000 2.354 201 E HA 0.052 4.490 4.350 0.147 0.000 0.203 201 E C 0.775 177.378 176.600 0.006 0.000 0.841 201 E CA 0.059 56.478 56.400 0.032 0.000 1.046 201 E CB 0.694 30.406 29.700 0.020 0.000 1.040 201 E HN 0.005 nan 8.360 nan 0.000 0.504 202 K N 2.196 122.578 120.400 -0.030 0.000 2.877 202 K HA 0.223 4.631 4.320 0.147 0.000 0.176 202 K C -2.729 173.809 176.600 -0.103 0.000 1.075 202 K CA -1.825 54.432 56.287 -0.051 0.000 0.939 202 K CB 1.031 33.499 32.500 -0.053 0.000 1.237 202 K HN -0.032 nan 8.250 nan 0.000 0.607 203 P HA 0.095 nan 4.420 nan 0.000 0.277 203 P C -0.650 176.518 177.300 -0.219 0.000 1.240 203 P CA -0.235 62.677 63.100 -0.313 0.000 0.798 203 P CB 1.083 32.470 31.700 -0.521 0.000 0.979 204 E N 2.656 122.703 120.200 -0.255 0.000 2.374 204 E HA 0.306 4.744 4.350 0.147 0.000 0.260 204 E C 0.188 176.750 176.600 -0.064 0.000 1.101 204 E CA -0.190 56.134 56.400 -0.127 0.000 0.907 204 E CB 1.000 30.633 29.700 -0.112 0.000 1.014 204 E HN 0.445 nan 8.360 nan 0.000 0.427 205 R N 0.847 121.354 120.500 0.012 0.000 2.725 205 R HA 0.397 4.825 4.340 0.147 0.000 0.277 205 R C -2.549 173.802 176.300 0.084 0.000 0.987 205 R CA -2.009 54.145 56.100 0.091 0.000 0.901 205 R CB 1.709 32.068 30.300 0.099 0.000 1.207 205 R HN 0.269 nan 8.270 nan 0.000 0.463 206 P HA -0.045 nan 4.420 nan 0.000 0.266 206 P C -1.195 176.279 177.300 0.289 0.000 1.195 206 P CA 0.237 63.481 63.100 0.241 0.000 0.768 206 P CB 0.406 32.276 31.700 0.283 0.000 0.838 207 F N 4.322 124.360 119.950 0.147 0.000 2.361 207 F HA 0.444 5.059 4.527 0.146 0.000 0.364 207 F C -0.779 175.108 175.800 0.144 0.000 1.117 207 F CA -1.403 56.660 58.000 0.104 0.000 1.071 207 F CB 0.656 39.698 39.000 0.069 0.000 1.188 207 F HN 0.108 nan 8.300 nan 0.000 0.464 208 L N 6.983 128.466 121.223 0.434 0.000 2.307 208 L HA 0.773 5.201 4.340 0.147 0.000 0.284 208 L C -1.139 175.754 176.870 0.038 0.000 1.023 208 L CA -0.251 54.672 54.840 0.138 0.000 0.810 208 L CB 1.441 43.537 42.059 0.062 0.000 1.231 208 L HN 0.577 nan 8.230 nan 0.000 0.423 209 A N 6.390 129.144 122.820 -0.110 0.000 2.318 209 A HA 0.747 5.155 4.320 0.147 0.000 0.317 209 A C -0.792 176.756 177.584 -0.059 0.000 1.159 209 A CA -0.450 51.541 52.037 -0.078 0.000 0.799 209 A CB 0.496 19.387 19.000 -0.181 0.000 1.194 209 A HN 0.700 nan 8.150 nan 0.000 0.479 210 I N 3.531 124.094 120.570 -0.012 0.000 2.328 210 I HA 0.307 4.565 4.170 0.147 0.000 0.287 210 I C -0.876 175.298 176.117 0.096 0.000 1.012 210 I CA -0.119 61.137 61.300 -0.074 0.000 1.195 210 I CB 1.090 38.870 38.000 -0.367 0.000 1.350 210 I HN 0.472 nan 8.210 nan 0.000 0.464 211 L N 6.285 127.536 121.223 0.047 0.000 2.325 211 L HA 0.751 5.179 4.340 0.147 0.000 0.281 211 L C 0.226 177.162 176.870 0.109 0.000 1.004 211 L CA -0.497 54.402 54.840 0.099 0.000 0.823 211 L CB 1.863 43.948 42.059 0.043 0.000 1.236 211 L HN 0.642 nan 8.230 nan 0.000 0.415 212 G N 1.201 110.103 108.800 0.171 0.000 2.591 212 G HA2 0.815 4.863 3.960 0.147 0.000 0.306 212 G HA3 0.815 4.863 3.960 0.147 0.000 0.306 212 G C -0.866 174.125 174.900 0.152 0.000 1.334 212 G CA -0.586 44.617 45.100 0.173 0.000 0.981 212 G HN 0.824 nan 8.290 nan 0.000 0.491 213 G N -1.220 107.669 108.800 0.148 0.000 2.387 213 G HA2 0.623 4.671 3.960 0.147 0.000 0.294 213 G HA3 0.623 4.671 3.960 0.147 0.000 0.294 213 G C 0.437 175.415 174.900 0.130 0.000 1.509 213 G CA 0.252 45.428 45.100 0.127 0.000 0.806 213 G HN 1.330 nan 8.290 nan 0.000 0.546 214 A N -0.161 122.719 122.820 0.099 0.000 1.872 214 A HA 0.317 4.725 4.320 0.147 0.000 0.214 214 A C 1.207 178.836 177.584 0.074 0.000 1.187 214 A CA 1.273 53.359 52.037 0.081 0.000 0.614 214 A CB -0.194 18.824 19.000 0.030 0.000 0.826 214 A HN 0.531 nan 8.150 nan 0.000 0.442 215 K N -0.841 119.592 120.400 0.055 0.000 2.156 215 K HA 0.506 4.914 4.320 0.147 0.000 0.254 215 K C 0.400 177.038 176.600 0.063 0.000 0.950 215 K CA -0.491 55.816 56.287 0.033 0.000 0.849 215 K CB 2.228 34.728 32.500 -0.001 0.000 1.100 215 K HN -0.050 nan 8.250 nan 0.000 0.434 216 V N 1.666 121.608 119.914 0.047 0.000 2.725 216 V HA -0.131 4.077 4.120 0.147 0.000 0.247 216 V C 2.091 178.210 176.094 0.042 0.000 1.058 216 V CA 1.192 63.550 62.300 0.096 0.000 1.080 216 V CB -0.311 31.547 31.823 0.058 0.000 0.713 216 V HN 0.715 nan 8.190 nan 0.000 0.465 217 K N 2.532 122.924 120.400 -0.013 0.000 2.044 217 K HA -0.245 4.163 4.320 0.147 0.000 0.210 217 K C 1.468 178.072 176.600 0.006 0.000 1.049 217 K CA 2.429 58.705 56.287 -0.019 0.000 0.927 217 K CB -0.671 31.805 32.500 -0.040 0.000 0.713 217 K HN 0.694 nan 8.250 nan 0.000 0.443 218 D N -0.833 119.575 120.400 0.015 0.000 2.363 218 D HA -0.057 4.671 4.640 0.147 0.000 0.226 218 D C 0.568 176.889 176.300 0.034 0.000 1.020 218 D CA 0.710 54.722 54.000 0.021 0.000 0.892 218 D CB 0.134 40.946 40.800 0.019 0.000 0.900 218 D HN 0.209 nan 8.370 nan 0.000 0.531 219 K N -0.301 120.130 120.400 0.052 0.000 2.536 219 K HA 0.292 4.700 4.320 0.147 0.000 0.203 219 K C 1.042 177.685 176.600 0.073 0.000 1.063 219 K CA -0.195 56.130 56.287 0.065 0.000 1.063 219 K CB 0.591 33.142 32.500 0.086 0.000 0.843 219 K HN 0.122 nan 8.250 nan 0.000 0.521 220 I N 1.236 121.841 120.570 0.059 0.000 2.142 220 I HA -0.319 3.939 4.170 0.147 0.000 0.240 220 I C 2.136 178.282 176.117 0.049 0.000 1.078 220 I CA 1.624 62.960 61.300 0.059 0.000 1.343 220 I CB 0.015 38.035 38.000 0.034 0.000 1.046 220 I HN 0.184 nan 8.210 nan 0.000 0.405 221 Q N 0.038 119.859 119.800 0.035 0.000 2.124 221 Q HA -0.215 4.213 4.340 0.147 0.000 0.202 221 Q C 2.128 178.149 176.000 0.034 0.000 0.977 221 Q CA 1.360 57.181 55.803 0.030 0.000 0.850 221 Q CB -0.239 28.512 28.738 0.022 0.000 0.901 221 Q HN 0.386 nan 8.270 nan 0.000 0.429 222 L N 0.479 121.725 121.223 0.038 0.000 1.976 222 L HA -0.164 4.264 4.340 0.147 0.000 0.209 222 L C 1.881 178.775 176.870 0.040 0.000 1.071 222 L CA 1.730 56.595 54.840 0.041 0.000 0.746 222 L CB -0.536 41.550 42.059 0.046 0.000 0.890 222 L HN 0.219 nan 8.230 nan 0.000 0.432 223 I N -0.064 120.534 120.570 0.047 0.000 2.127 223 I HA -0.321 3.937 4.170 0.147 0.000 0.241 223 I C 2.664 178.797 176.117 0.026 0.000 1.075 223 I CA 1.741 63.064 61.300 0.039 0.000 1.334 223 I CB -0.657 37.392 38.000 0.081 0.000 1.040 223 I HN 0.386 nan 8.210 nan 0.000 0.405 224 K N 1.424 121.846 120.400 0.038 0.000 2.020 224 K HA -0.290 4.118 4.320 0.147 0.000 0.212 224 K C 1.822 178.433 176.600 0.019 0.000 1.050 224 K CA 2.438 58.743 56.287 0.029 0.000 0.929 224 K CB -0.607 31.913 32.500 0.032 0.000 0.714 224 K HN 0.230 nan 8.250 nan 0.000 0.443 225 N N -0.003 118.711 118.700 0.024 0.000 2.120 225 N HA -0.086 4.743 4.740 0.147 0.000 0.188 225 N C 1.863 177.385 175.510 0.020 0.000 1.024 225 N CA 1.525 54.592 53.050 0.028 0.000 0.852 225 N CB -0.053 38.458 38.487 0.040 0.000 1.003 225 N HN 0.186 nan 8.380 nan 0.000 0.424 226 M N -0.104 119.498 119.600 0.003 0.000 2.175 226 M HA -0.056 4.512 4.480 0.147 0.000 0.264 226 M C 1.719 177.965 176.300 -0.091 0.000 1.063 226 M CA 0.912 56.183 55.300 -0.047 0.000 1.119 226 M CB -0.858 31.704 32.600 -0.065 0.000 1.377 226 M HN 0.235 nan 8.290 nan 0.000 0.415 227 L N -0.230 120.958 121.223 -0.060 0.000 2.456 227 L HA -0.166 4.262 4.340 0.147 0.000 0.224 227 L C 1.343 178.184 176.870 -0.049 0.000 1.148 227 L CA 0.507 55.307 54.840 -0.067 0.000 0.825 227 L CB -0.517 41.520 42.059 -0.038 0.000 0.937 227 L HN 0.248 nan 8.230 nan 0.000 0.450 228 D N -0.224 120.162 120.400 -0.023 0.000 2.340 228 D HA -0.028 4.700 4.640 0.147 0.000 0.220 228 D C 1.511 177.820 176.300 0.016 0.000 1.039 228 D CA 0.644 54.644 54.000 -0.000 0.000 0.866 228 D CB 0.601 41.412 40.800 0.017 0.000 0.913 228 D HN 0.243 nan 8.370 nan 0.000 0.523 229 K N -0.640 119.763 120.400 0.005 0.000 2.550 229 K HA 0.089 4.497 4.320 0.147 0.000 0.205 229 K C 0.579 177.209 176.600 0.050 0.000 1.429 229 K CA -0.001 56.334 56.287 0.080 0.000 0.997 229 K CB 1.009 33.629 32.500 0.199 0.000 1.328 229 K HN -0.045 nan 8.250 nan 0.000 0.546 230 V N 0.003 119.782 119.914 -0.226 0.000 3.264 230 V HA 0.252 4.460 4.120 0.147 0.000 0.304 230 V C 0.125 176.117 176.094 -0.170 0.000 1.086 230 V CA -0.201 61.851 62.300 -0.412 0.000 1.090 230 V CB 1.338 32.745 31.823 -0.693 0.000 1.112 230 V HN 0.204 nan 8.190 nan 0.000 0.472 231 N N 0.040 118.680 118.700 -0.100 0.000 2.348 231 N HA 0.391 5.219 4.740 0.147 0.000 0.183 231 N C -0.763 174.416 175.510 -0.551 0.000 1.094 231 N CA 0.207 53.123 53.050 -0.224 0.000 0.885 231 N CB 0.401 38.856 38.487 -0.054 0.000 1.065 231 N HN 0.644 nan 8.380 nan 0.000 0.472 232 F N 0.200 120.076 119.950 -0.124 0.000 2.613 232 F HA 0.539 5.153 4.527 0.146 0.000 0.310 232 F C -0.719 174.964 175.800 -0.194 0.000 1.085 232 F CA -0.927 56.989 58.000 -0.139 0.000 0.945 232 F CB 2.010 40.947 39.000 -0.106 0.000 1.298 232 F HN -0.279 nan 8.300 nan 0.000 0.455 233 M N 3.921 123.506 119.600 -0.026 0.000 2.255 233 M HA 0.537 5.105 4.480 0.147 0.000 0.275 233 M C -2.259 173.920 176.300 -0.202 0.000 1.050 233 M CA -0.164 55.055 55.300 -0.135 0.000 0.978 233 M CB 1.599 34.087 32.600 -0.186 0.000 1.761 233 M HN 0.587 nan 8.290 nan 0.000 0.479 234 I N 5.701 126.157 120.570 -0.191 0.000 2.336 234 I HA 0.435 4.693 4.170 0.147 0.000 0.292 234 I C -0.672 175.311 176.117 -0.224 0.000 0.991 234 I CA -0.642 60.519 61.300 -0.232 0.000 1.227 234 I CB 1.623 39.505 38.000 -0.198 0.000 1.366 234 I HN 0.645 nan 8.210 nan 0.000 0.466 235 I N 5.652 126.047 120.570 -0.291 0.000 2.355 235 I HA 0.499 4.758 4.170 0.147 0.000 0.288 235 I C 0.492 176.585 176.117 -0.040 0.000 0.999 235 I CA -0.132 61.054 61.300 -0.190 0.000 1.163 235 I CB 1.573 39.365 38.000 -0.346 0.000 1.316 235 I HN 0.658 nan 8.210 nan 0.000 0.454 236 G N 3.114 111.932 108.800 0.030 0.000 3.140 236 G HA2 0.791 4.839 3.960 0.147 0.000 0.271 236 G HA3 0.791 4.839 3.960 0.147 0.000 0.271 236 G C -0.157 174.826 174.900 0.137 0.000 1.370 236 G CA -0.362 44.791 45.100 0.089 0.000 1.014 236 G HN 0.942 nan 8.290 nan 0.000 0.541 237 G N -1.399 107.511 108.800 0.185 0.000 2.642 237 G HA2 0.258 4.306 3.960 0.147 0.000 0.231 237 G HA3 0.258 4.306 3.960 0.147 0.000 0.231 237 G C 1.266 176.321 174.900 0.259 0.000 1.338 237 G CA 0.534 45.769 45.100 0.226 0.000 0.883 237 G HN 1.863 nan 8.290 nan 0.000 0.570 238 G N -0.776 108.190 108.800 0.277 0.000 2.443 238 G HA2 0.039 4.087 3.960 0.147 0.000 0.219 238 G HA3 0.039 4.087 3.960 0.147 0.000 0.219 238 G C 1.959 177.056 174.900 0.330 0.000 1.131 238 G CA 1.747 47.065 45.100 0.363 0.000 0.775 238 G HN 0.694 nan 8.290 nan 0.000 0.547 239 M N 0.942 120.683 119.600 0.236 0.000 2.144 239 M HA -0.116 4.452 4.480 0.147 0.000 0.260 239 M C 3.056 179.558 176.300 0.337 0.000 1.067 239 M CA 1.416 56.883 55.300 0.278 0.000 1.095 239 M CB -0.374 32.394 32.600 0.281 0.000 1.365 239 M HN 0.323 nan 8.290 nan 0.000 0.406 240 A N 0.074 122.994 122.820 0.166 0.000 1.927 240 A HA -0.229 4.179 4.320 0.147 0.000 0.220 240 A C 1.815 179.364 177.584 -0.058 0.000 1.185 240 A CA 1.844 53.902 52.037 0.035 0.000 0.639 240 A CB -1.319 17.597 19.000 -0.139 0.000 0.820 240 A HN 0.573 nan 8.150 nan 0.000 0.451 241 Y N 0.157 120.549 120.300 0.153 0.000 2.274 241 Y HA -0.147 4.490 4.550 0.146 0.000 0.290 241 Y C 2.906 178.914 175.900 0.180 0.000 1.145 241 Y CA 1.510 59.665 58.100 0.091 0.000 1.203 241 Y CB -0.889 37.594 38.460 0.039 0.000 0.984 241 Y HN 0.255 nan 8.280 nan 0.000 0.533 242 T N -0.049 114.699 114.554 0.323 0.000 2.812 242 T HA -0.124 4.314 4.350 0.147 0.000 0.264 242 T C 1.492 176.253 174.700 0.101 0.000 1.042 242 T CA 1.277 63.511 62.100 0.224 0.000 1.140 242 T CB -0.475 68.344 68.868 -0.082 0.000 0.870 242 T HN 0.153 nan 8.240 nan 0.000 0.445 243 F N 1.162 121.079 119.950 -0.055 0.000 2.113 243 F HA 0.107 4.721 4.527 0.146 0.000 0.297 243 F C 2.137 177.756 175.800 -0.302 0.000 1.103 243 F CA 0.794 58.654 58.000 -0.233 0.000 1.248 243 F CB -0.624 38.049 39.000 -0.545 0.000 0.999 243 F HN 0.057 nan 8.300 nan 0.000 0.475 244 L N -0.281 120.873 121.223 -0.114 0.000 2.083 244 L HA -0.214 4.214 4.340 0.147 0.000 0.209 244 L C 2.618 179.484 176.870 -0.007 0.000 1.083 244 L CA 1.187 55.967 54.840 -0.101 0.000 0.752 244 L CB -0.637 41.401 42.059 -0.036 0.000 0.899 244 L HN 0.067 nan 8.230 nan 0.000 0.433 245 K N 0.584 121.014 120.400 0.049 0.000 2.025 245 K HA -0.221 4.187 4.320 0.147 0.000 0.207 245 K C 2.022 178.633 176.600 0.019 0.000 1.049 245 K CA 1.641 57.942 56.287 0.024 0.000 0.933 245 K CB 0.095 32.607 32.500 0.020 0.000 0.714 245 K HN 0.105 nan 8.250 nan 0.000 0.438 246 E N 0.630 120.867 120.200 0.061 0.000 2.106 246 E HA -0.054 4.384 4.350 0.147 0.000 0.192 246 E C 2.071 178.672 176.600 0.002 0.000 0.984 246 E CA 1.020 57.439 56.400 0.031 0.000 0.806 246 E CB -0.004 29.699 29.700 0.005 0.000 0.750 246 E HN 0.293 nan 8.360 nan 0.000 0.458 247 L N -0.335 120.881 121.223 -0.011 0.000 2.168 247 L HA 0.045 4.473 4.340 0.147 0.000 0.203 247 L C 1.852 178.726 176.870 0.007 0.000 1.078 247 L CA 0.774 55.615 54.840 0.001 0.000 0.780 247 L CB -0.101 41.956 42.059 -0.004 0.000 0.939 247 L HN -0.062 nan 8.230 nan 0.000 0.451 248 K N -0.246 120.152 120.400 -0.002 0.000 2.358 248 K HA 0.100 4.508 4.320 0.147 0.000 0.197 248 K C 0.137 176.744 176.600 0.012 0.000 1.025 248 K CA -0.051 56.244 56.287 0.014 0.000 1.104 248 K CB 0.036 32.551 32.500 0.025 0.000 0.855 248 K HN 0.108 nan 8.250 nan 0.000 0.531 249 N N 1.623 120.323 118.700 0.001 0.000 2.740 249 N HA -0.198 4.630 4.740 0.147 0.000 0.248 249 N C -0.404 175.101 175.510 -0.008 0.000 1.062 249 N CA 0.293 53.336 53.050 -0.012 0.000 0.704 249 N CB -1.257 37.224 38.487 -0.009 0.000 0.968 249 N HN 0.341 nan 8.380 nan 0.000 0.547 250 M N 0.302 119.904 119.600 0.005 0.000 2.242 250 M HA 0.132 4.700 4.480 0.147 0.000 0.344 250 M C -0.159 176.136 176.300 -0.009 0.000 1.140 250 M CA -0.081 55.233 55.300 0.023 0.000 1.160 250 M CB 0.584 33.221 32.600 0.062 0.000 1.491 250 M HN 0.142 nan 8.290 nan 0.000 0.459 251 Q N 4.205 124.003 119.800 -0.004 0.000 2.389 251 Q HA 0.220 4.648 4.340 0.147 0.000 0.244 251 Q C 0.503 176.485 176.000 -0.029 0.000 1.056 251 Q CA 0.148 55.934 55.803 -0.029 0.000 0.908 251 Q CB -0.008 28.719 28.738 -0.018 0.000 1.273 251 Q HN 0.715 nan 8.270 nan 0.000 0.471 252 I N -1.278 119.261 120.570 -0.053 0.000 3.684 252 I HA 0.313 4.571 4.170 0.147 0.000 0.304 252 I C 1.014 177.078 176.117 -0.089 0.000 1.278 252 I CA 0.207 61.468 61.300 -0.065 0.000 1.272 252 I CB -0.355 37.632 38.000 -0.022 0.000 1.029 252 I HN 0.580 nan 8.210 nan 0.000 0.458 253 G N 2.395 111.162 108.800 -0.054 0.000 2.622 253 G HA2 -0.430 3.619 3.960 0.147 0.000 0.307 253 G HA3 -0.430 3.619 3.960 0.147 0.000 0.307 253 G C 0.807 175.685 174.900 -0.036 0.000 1.226 253 G CA 0.760 45.849 45.100 -0.019 0.000 0.997 253 G HN 0.841 nan 8.290 nan 0.000 0.551 254 A N -0.009 122.801 122.820 -0.017 0.000 2.370 254 A HA 0.635 5.043 4.320 0.147 0.000 0.238 254 A C 1.259 178.787 177.584 -0.093 0.000 1.289 254 A CA 1.393 53.406 52.037 -0.040 0.000 0.885 254 A CB -0.266 18.723 19.000 -0.018 0.000 0.961 254 A HN 1.347 nan 8.150 nan 0.000 0.499 255 S N 0.559 116.165 115.700 -0.157 0.000 2.537 255 S HA 0.279 4.837 4.470 0.147 0.000 0.286 255 S C 0.346 174.868 174.600 -0.132 0.000 1.299 255 S CA -0.287 57.745 58.200 -0.280 0.000 1.067 255 S CB 0.327 63.186 63.200 -0.569 0.000 0.864 255 S HN 0.475 nan 8.310 nan 0.000 0.494 256 L N 3.422 124.569 121.223 -0.127 0.000 2.559 256 L HA 0.089 4.517 4.340 0.147 0.000 0.282 256 L C -0.134 176.804 176.870 0.113 0.000 1.232 256 L CA 0.375 55.196 54.840 -0.033 0.000 0.885 256 L CB -0.014 41.992 42.059 -0.088 0.000 1.131 256 L HN 0.570 nan 8.230 nan 0.000 0.498 257 F N 3.086 123.010 119.950 -0.043 0.000 2.520 257 F HA 0.283 4.899 4.527 0.147 0.000 0.322 257 F C -0.077 175.713 175.800 -0.016 0.000 1.103 257 F CA -1.132 56.859 58.000 -0.015 0.000 0.926 257 F CB 1.420 40.406 39.000 -0.023 0.000 1.154 257 F HN 0.320 nan 8.300 nan 0.000 0.453 258 D N 4.707 124.701 120.400 -0.676 0.000 2.499 258 D HA 0.091 4.819 4.640 0.147 0.000 0.225 258 D C 0.968 176.774 176.300 -0.824 0.000 1.124 258 D CA 0.163 53.841 54.000 -0.538 0.000 0.938 258 D CB 0.535 41.139 40.800 -0.327 0.000 1.014 258 D HN 0.853 nan 8.370 nan 0.000 0.517 259 E N 2.240 122.089 120.200 -0.586 0.000 2.097 259 E HA -0.240 4.198 4.350 0.147 0.000 0.196 259 E C 1.282 177.741 176.600 -0.236 0.000 1.000 259 E CA 1.168 57.362 56.400 -0.344 0.000 0.804 259 E CB 0.309 29.992 29.700 -0.027 0.000 0.740 259 E HN 0.569 nan 8.360 nan 0.000 0.454 260 E N -1.097 118.990 120.200 -0.188 0.000 2.112 260 E HA -0.090 4.348 4.350 0.147 0.000 0.190 260 E C 1.972 178.479 176.600 -0.156 0.000 0.979 260 E CA 0.804 57.126 56.400 -0.129 0.000 0.814 260 E CB -0.106 29.541 29.700 -0.089 0.000 0.762 260 E HN 0.370 nan 8.360 nan 0.000 0.460 261 G N 0.620 109.294 108.800 -0.209 0.000 2.422 261 G HA2 -0.200 3.848 3.960 0.147 0.000 0.218 261 G HA3 -0.200 3.848 3.960 0.147 0.000 0.218 261 G C 1.593 176.326 174.900 -0.278 0.000 1.140 261 G CA 0.667 45.644 45.100 -0.205 0.000 0.775 261 G HN 0.353 nan 8.290 nan 0.000 0.545 262 A N 0.428 123.035 122.820 -0.354 0.000 2.019 262 A HA 0.011 4.419 4.320 0.147 0.000 0.219 262 A C 2.448 179.922 177.584 -0.183 0.000 1.164 262 A CA 2.216 54.066 52.037 -0.313 0.000 0.644 262 A CB -0.698 18.142 19.000 -0.266 0.000 0.805 262 A HN 0.271 nan 8.150 nan 0.000 0.449 263 T N 0.083 114.553 114.554 -0.139 0.000 2.915 263 T HA 0.015 4.453 4.350 0.147 0.000 0.269 263 T C 1.400 176.052 174.700 -0.080 0.000 1.071 263 T CA 1.281 63.332 62.100 -0.081 0.000 1.132 263 T CB -0.283 68.549 68.868 -0.059 0.000 0.878 263 T HN 0.515 nan 8.240 nan 0.000 0.479 264 I N 0.524 121.030 120.570 -0.107 0.000 3.883 264 I HA 0.083 4.341 4.170 0.147 0.000 0.326 264 I C 1.865 177.927 176.117 -0.092 0.000 1.283 264 I CA 0.044 61.299 61.300 -0.076 0.000 1.161 264 I CB 0.027 37.995 38.000 -0.053 0.000 1.012 264 I HN 0.035 nan 8.210 nan 0.000 0.421 265 V N 1.349 121.149 119.914 -0.190 0.000 2.407 265 V HA -0.259 3.949 4.120 0.147 0.000 0.248 265 V C 2.579 178.646 176.094 -0.046 0.000 1.055 265 V CA 1.670 63.817 62.300 -0.254 0.000 1.049 265 V CB -0.575 30.976 31.823 -0.453 0.000 0.662 265 V HN 0.392 nan 8.190 nan 0.000 0.455 266 K N 0.809 121.187 120.400 -0.035 0.000 1.978 266 K HA -0.232 4.176 4.320 0.147 0.000 0.214 266 K C 2.099 178.719 176.600 0.033 0.000 1.049 266 K CA 2.168 58.460 56.287 0.010 0.000 0.939 266 K CB -0.741 31.758 32.500 -0.000 0.000 0.721 266 K HN 0.821 nan 8.250 nan 0.000 0.441 267 E N 0.712 120.925 120.200 0.022 0.000 2.204 267 E HA -0.136 4.302 4.350 0.147 0.000 0.195 267 E C 2.179 178.811 176.600 0.052 0.000 0.990 267 E CA 0.829 57.247 56.400 0.030 0.000 0.821 267 E CB -0.406 29.305 29.700 0.018 0.000 0.750 267 E HN 0.273 nan 8.360 nan 0.000 0.477 268 I N 0.692 121.309 120.570 0.078 0.000 2.202 268 I HA -0.239 4.019 4.170 0.147 0.000 0.242 268 I C 2.424 178.624 176.117 0.137 0.000 1.091 268 I CA 1.000 62.377 61.300 0.130 0.000 1.368 268 I CB -0.192 37.948 38.000 0.233 0.000 1.058 268 I HN 0.167 nan 8.210 nan 0.000 0.410 269 M N -0.023 119.674 119.600 0.163 0.000 2.279 269 M HA -0.163 4.405 4.480 0.147 0.000 0.264 269 M C 2.019 178.367 176.300 0.081 0.000 1.062 269 M CA 1.554 56.944 55.300 0.149 0.000 1.099 269 M CB -1.226 31.479 32.600 0.174 0.000 1.394 269 M HN 0.270 nan 8.290 nan 0.000 0.426 270 E N 0.108 120.345 120.200 0.063 0.000 2.047 270 E HA -0.187 4.251 4.350 0.147 0.000 0.191 270 E C 2.086 178.702 176.600 0.027 0.000 0.987 270 E CA 1.014 57.437 56.400 0.038 0.000 0.799 270 E CB -0.116 29.602 29.700 0.030 0.000 0.752 270 E HN 0.453 nan 8.360 nan 0.000 0.449 271 K N 0.886 121.303 120.400 0.029 0.000 2.097 271 K HA -0.129 4.279 4.320 0.147 0.000 0.206 271 K C 2.106 178.707 176.600 0.001 0.000 1.049 271 K CA 1.099 57.395 56.287 0.015 0.000 0.933 271 K CB -0.073 32.439 32.500 0.020 0.000 0.717 271 K HN 0.080 nan 8.250 nan 0.000 0.442 272 A N 1.387 124.210 122.820 0.006 0.000 1.902 272 A HA -0.211 4.197 4.320 0.147 0.000 0.217 272 A C 2.101 179.664 177.584 -0.034 0.000 1.181 272 A CA 1.695 53.717 52.037 -0.024 0.000 0.623 272 A CB -0.578 18.411 19.000 -0.017 0.000 0.818 272 A HN 0.484 nan 8.150 nan 0.000 0.443 273 E N 0.266 120.460 120.200 -0.011 0.000 2.051 273 E HA -0.203 4.235 4.350 0.147 0.000 0.192 273 E C 1.906 178.494 176.600 -0.020 0.000 0.991 273 E CA 1.452 57.843 56.400 -0.015 0.000 0.799 273 E CB -0.160 29.543 29.700 0.005 0.000 0.748 273 E HN 0.645 nan 8.360 nan 0.000 0.449 274 K N 0.099 120.492 120.400 -0.012 0.000 2.147 274 K HA -0.115 4.293 4.320 0.147 0.000 0.205 274 K C 1.482 178.070 176.600 -0.021 0.000 1.049 274 K CA 1.393 57.673 56.287 -0.012 0.000 0.936 274 K CB -0.110 32.388 32.500 -0.004 0.000 0.722 274 K HN 0.047 nan 8.250 nan 0.000 0.446 275 N N -0.627 118.055 118.700 -0.031 0.000 2.270 275 N HA 0.065 4.893 4.740 0.147 0.000 0.198 275 N C 0.141 175.611 175.510 -0.067 0.000 1.117 275 N CA 0.488 53.513 53.050 -0.042 0.000 0.845 275 N CB 1.253 39.715 38.487 -0.043 0.000 0.980 275 N HN 0.254 nan 8.380 nan 0.000 0.486 276 G N 0.186 108.942 108.800 -0.073 0.000 2.249 276 G HA2 -0.253 3.795 3.960 0.147 0.000 0.273 276 G HA3 -0.253 3.795 3.960 0.147 0.000 0.273 276 G C -0.302 174.494 174.900 -0.174 0.000 1.036 276 G CA 0.138 45.175 45.100 -0.105 0.000 0.824 276 G HN 0.172 nan 8.290 nan 0.000 0.504 277 V N 0.531 120.345 119.914 -0.166 0.000 2.364 277 V HA 0.367 4.575 4.120 0.147 0.000 0.272 277 V C 0.803 176.756 176.094 -0.235 0.000 1.036 277 V CA -0.564 61.596 62.300 -0.235 0.000 0.880 277 V CB 1.645 33.361 31.823 -0.179 0.000 0.991 277 V HN 0.409 nan 8.190 nan 0.000 0.460 278 K N 6.099 126.290 120.400 -0.348 0.000 2.285 278 K HA 0.446 4.855 4.320 0.147 0.000 0.286 278 K C -0.645 175.850 176.600 -0.174 0.000 1.072 278 K CA -0.368 55.780 56.287 -0.231 0.000 0.913 278 K CB 0.413 32.775 32.500 -0.230 0.000 1.067 278 K HN 0.621 nan 8.250 nan 0.000 0.479 279 I N 4.707 125.164 120.570 -0.188 0.000 2.365 279 I HA 0.155 4.413 4.170 0.147 0.000 0.291 279 I C -0.414 175.460 176.117 -0.405 0.000 1.004 279 I CA -1.068 60.026 61.300 -0.343 0.000 1.311 279 I CB 1.731 39.459 38.000 -0.454 0.000 1.401 279 I HN 0.265 nan 8.210 nan 0.000 0.491 280 V N 7.211 126.854 119.914 -0.452 0.000 2.357 280 V HA 0.407 4.615 4.120 0.147 0.000 0.284 280 V C -0.309 175.513 176.094 -0.454 0.000 1.018 280 V CA -0.434 61.668 62.300 -0.329 0.000 0.841 280 V CB 0.955 32.683 31.823 -0.158 0.000 0.991 280 V HN 0.411 nan 8.190 nan 0.000 0.437 281 F N 5.472 125.383 119.950 -0.064 0.000 2.497 281 F HA 0.652 5.267 4.527 0.146 0.000 0.331 281 F C -1.712 174.058 175.800 -0.050 0.000 1.060 281 F CA -2.397 55.564 58.000 -0.065 0.000 0.989 281 F CB 1.418 40.398 39.000 -0.033 0.000 1.245 281 F HN 0.309 nan 8.300 nan 0.000 0.486 282 P HA 0.069 nan 4.420 nan 0.000 0.272 282 P C 0.250 177.496 177.300 -0.089 0.000 1.230 282 P CA -0.123 62.979 63.100 0.003 0.000 0.788 282 P CB 1.567 33.282 31.700 0.026 0.000 0.949 283 V N -2.500 117.268 119.914 -0.244 0.000 3.621 283 V HA 0.204 4.412 4.120 0.147 0.000 0.263 283 V C 0.228 176.013 176.094 -0.515 0.000 1.272 283 V CA 0.551 62.706 62.300 -0.240 0.000 1.080 283 V CB -0.466 31.286 31.823 -0.118 0.000 0.816 283 V HN 0.589 nan 8.190 nan 0.000 0.451 284 D N -0.258 119.634 120.400 -0.847 0.000 2.596 284 D HA 0.651 5.379 4.640 0.147 0.000 0.262 284 D C -0.963 174.590 176.300 -1.245 0.000 1.210 284 D CA -0.601 52.825 54.000 -0.955 0.000 0.873 284 D CB 1.714 42.327 40.800 -0.311 0.000 1.408 284 D HN 0.123 nan 8.370 nan 0.000 0.441 285 F N -1.934 118.104 119.950 0.147 0.000 2.741 285 F HA 0.587 5.202 4.527 0.147 0.000 0.313 285 F C -0.809 175.127 175.800 0.227 0.000 1.153 285 F CA -1.356 56.769 58.000 0.209 0.000 0.931 285 F CB 1.260 40.438 39.000 0.297 0.000 1.335 285 F HN 0.160 nan 8.300 nan 0.000 0.460 286 V N 1.171 121.391 119.914 0.511 0.000 2.398 286 V HA 0.650 4.858 4.120 0.147 0.000 0.286 286 V C -0.086 176.348 176.094 0.567 0.000 1.026 286 V CA -0.495 62.091 62.300 0.477 0.000 0.868 286 V CB 1.400 33.509 31.823 0.477 0.000 0.982 286 V HN 0.953 nan 8.190 nan 0.000 0.443 287 T N 1.739 116.610 114.554 0.530 0.000 2.952 287 T HA 0.855 5.293 4.350 0.147 0.000 0.286 287 T C 0.035 175.129 174.700 0.656 0.000 1.024 287 T CA -0.511 61.895 62.100 0.509 0.000 1.029 287 T CB 2.027 71.189 68.868 0.490 0.000 1.094 287 T HN 0.923 nan 8.240 nan 0.000 0.515 288 G N 0.040 109.084 108.800 0.406 0.000 2.571 288 G HA2 0.491 4.539 3.960 0.147 0.000 0.304 288 G HA3 0.491 4.539 3.960 0.147 0.000 0.304 288 G C 0.042 174.832 174.900 -0.183 0.000 1.314 288 G CA -0.779 44.457 45.100 0.227 0.000 0.975 288 G HN 0.784 nan 8.290 nan 0.000 0.485 289 D N -0.506 119.437 120.400 -0.762 0.000 2.328 289 D HA 0.068 4.796 4.640 0.147 0.000 0.226 289 D C 0.449 176.379 176.300 -0.618 0.000 1.066 289 D CA 0.136 53.292 54.000 -1.407 0.000 0.861 289 D CB 0.027 39.793 40.800 -1.723 0.000 0.912 289 D HN 0.665 nan 8.370 nan 0.000 0.521 290 K N -1.961 118.248 120.400 -0.319 0.000 2.685 290 K HA 0.216 4.624 4.320 0.147 0.000 0.290 290 K C -1.595 175.001 176.600 -0.008 0.000 1.018 290 K CA -0.982 55.221 56.287 -0.141 0.000 0.860 290 K CB -0.045 32.366 32.500 -0.148 0.000 1.498 290 K HN -0.167 nan 8.250 nan 0.000 0.390 291 F N 2.357 122.265 119.950 -0.070 0.000 2.652 291 F HA 0.371 4.983 4.527 0.142 0.000 0.352 291 F C -0.968 174.862 175.800 0.050 0.000 1.259 291 F CA 0.043 58.071 58.000 0.047 0.000 1.249 291 F CB -0.390 38.651 39.000 0.068 0.000 1.628 291 F HN 0.716 nan 8.300 nan 0.000 0.654 292 D N 1.561 121.706 120.400 -0.426 0.000 2.736 292 D HA 0.101 4.829 4.640 0.147 0.000 0.223 292 D C 0.644 176.161 176.300 -1.306 0.000 1.231 292 D CA -0.416 53.069 54.000 -0.857 0.000 0.818 292 D CB 1.247 41.790 40.800 -0.429 0.000 1.587 292 D HN 0.348 nan 8.370 nan 0.000 0.463 293 E N 1.353 120.391 120.200 -1.937 0.000 2.118 293 E HA -0.190 4.248 4.350 0.147 0.000 0.195 293 E C 0.225 176.473 176.600 -0.586 0.000 0.992 293 E CA 1.035 56.462 56.400 -1.620 0.000 0.804 293 E CB 0.095 28.913 29.700 -1.469 0.000 0.741 293 E HN 0.311 nan 8.360 nan 0.000 0.458 294 N N 0.478 118.912 118.700 -0.443 0.000 2.320 294 N HA 0.169 4.997 4.740 0.147 0.000 0.237 294 N C -0.704 174.710 175.510 -0.160 0.000 1.129 294 N CA 0.329 53.239 53.050 -0.232 0.000 0.854 294 N CB 0.887 39.259 38.487 -0.192 0.000 1.083 294 N HN 0.140 nan 8.380 nan 0.000 0.504 295 A N 0.770 123.508 122.820 -0.137 0.000 2.366 295 A HA 0.170 4.578 4.320 0.147 0.000 0.249 295 A C 0.701 178.276 177.584 -0.015 0.000 1.084 295 A CA -0.200 51.784 52.037 -0.088 0.000 0.794 295 A CB 0.687 19.650 19.000 -0.062 0.000 1.034 295 A HN -0.001 nan 8.150 nan 0.000 0.491 296 K N 0.708 121.060 120.400 -0.081 0.000 2.451 296 K HA 0.223 4.631 4.320 0.147 0.000 0.280 296 K C -0.495 176.213 176.600 0.181 0.000 1.020 296 K CA 0.106 56.402 56.287 0.015 0.000 1.008 296 K CB 0.660 33.139 32.500 -0.034 0.000 0.917 296 K HN 0.373 nan 8.250 nan 0.000 0.478 297 V N 2.242 122.311 119.914 0.258 0.000 2.439 297 V HA 0.531 4.739 4.120 0.147 0.000 0.282 297 V C 0.913 177.261 176.094 0.423 0.000 1.039 297 V CA -0.435 62.068 62.300 0.339 0.000 0.913 297 V CB 1.442 33.338 31.823 0.121 0.000 0.983 297 V HN 0.954 nan 8.190 nan 0.000 0.460 298 G N 3.582 112.679 108.800 0.495 0.000 3.086 298 G HA2 0.759 4.807 3.960 0.147 0.000 0.282 298 G HA3 0.759 4.807 3.960 0.147 0.000 0.282 298 G C -1.382 173.644 174.900 0.209 0.000 1.343 298 G CA -0.510 44.745 45.100 0.257 0.000 0.895 298 G HN 0.674 nan 8.290 nan 0.000 0.557 299 Q N -1.642 118.216 119.800 0.097 0.000 2.501 299 Q HA 0.762 5.190 4.340 0.147 0.000 0.288 299 Q C -1.312 174.759 176.000 0.118 0.000 1.051 299 Q CA -1.107 54.780 55.803 0.140 0.000 0.788 299 Q CB 2.226 31.022 28.738 0.098 0.000 1.469 299 Q HN 1.730 nan 8.270 nan 0.000 0.416 300 A N 0.462 123.407 122.820 0.208 0.000 2.583 300 A HA 0.719 5.127 4.320 0.147 0.000 0.292 300 A C -0.909 176.858 177.584 0.304 0.000 1.045 300 A CA -0.026 52.151 52.037 0.234 0.000 0.672 300 A CB 1.447 20.605 19.000 0.262 0.000 1.283 300 A HN 1.002 nan 8.150 nan 0.000 0.419 301 T N -1.281 113.417 114.554 0.239 0.000 2.910 301 T HA 0.650 5.088 4.350 0.147 0.000 0.287 301 T C 1.121 176.009 174.700 0.313 0.000 1.050 301 T CA -0.312 61.889 62.100 0.169 0.000 1.011 301 T CB 0.769 69.670 68.868 0.055 0.000 1.195 301 T HN 0.489 nan 8.240 nan 0.000 0.540 302 I N 0.485 121.200 120.570 0.243 0.000 2.163 302 I HA -0.172 4.086 4.170 0.147 0.000 0.243 302 I C 2.515 178.723 176.117 0.152 0.000 1.085 302 I CA 1.564 63.019 61.300 0.259 0.000 1.347 302 I CB -0.371 37.733 38.000 0.173 0.000 1.044 302 I HN 0.696 nan 8.210 nan 0.000 0.408 303 E N 0.721 120.980 120.200 0.099 0.000 2.051 303 E HA -0.193 4.245 4.350 0.147 0.000 0.192 303 E C 2.326 178.962 176.600 0.059 0.000 0.991 303 E CA 1.773 58.211 56.400 0.064 0.000 0.799 303 E CB -0.382 29.343 29.700 0.042 0.000 0.748 303 E HN 0.511 nan 8.360 nan 0.000 0.449 304 S N -0.441 115.300 115.700 0.068 0.000 2.423 304 S HA 0.080 4.638 4.470 0.147 0.000 0.231 304 S C 1.305 175.935 174.600 0.050 0.000 1.014 304 S CA 0.530 58.759 58.200 0.049 0.000 0.965 304 S CB -0.671 62.555 63.200 0.043 0.000 0.785 304 S HN 0.433 nan 8.310 nan 0.000 0.495 305 G N 0.715 109.570 108.800 0.092 0.000 2.855 305 G HA2 -0.158 3.890 3.960 0.147 0.000 0.352 305 G HA3 -0.158 3.890 3.960 0.147 0.000 0.352 305 G C -0.648 174.283 174.900 0.051 0.000 1.415 305 G CA -0.264 44.877 45.100 0.069 0.000 0.871 305 G HN 0.653 nan 8.290 nan 0.000 0.543 306 I N 1.746 122.324 120.570 0.014 0.000 2.378 306 I HA 0.322 4.580 4.170 0.147 0.000 0.291 306 I C -1.920 174.192 176.117 -0.009 0.000 0.992 306 I CA -2.039 59.262 61.300 0.002 0.000 1.154 306 I CB 2.123 40.118 38.000 -0.009 0.000 1.315 306 I HN 0.250 nan 8.210 nan 0.000 0.448 307 P HA -0.027 nan 4.420 nan 0.000 0.267 307 P C -0.419 176.948 177.300 0.112 0.000 1.201 307 P CA -0.146 62.911 63.100 -0.072 0.000 0.775 307 P CB 0.319 31.802 31.700 -0.361 0.000 0.854 308 S N 1.102 116.869 115.700 0.113 0.000 2.549 308 S HA 0.359 4.917 4.470 0.147 0.000 0.286 308 S C 1.375 176.129 174.600 0.256 0.000 1.314 308 S CA 0.203 58.485 58.200 0.136 0.000 1.062 308 S CB -0.223 63.024 63.200 0.079 0.000 0.865 308 S HN 1.010 nan 8.310 nan 0.000 0.498 309 G N 1.503 110.402 108.800 0.166 0.000 2.225 309 G HA2 -0.231 3.817 3.960 0.147 0.000 0.254 309 G HA3 -0.231 3.817 3.960 0.147 0.000 0.254 309 G C -0.305 174.612 174.900 0.028 0.000 0.988 309 G CA 0.009 45.167 45.100 0.096 0.000 0.625 309 G HN 0.693 nan 8.290 nan 0.000 0.527 310 W N 1.021 122.311 121.300 -0.017 0.000 2.578 310 W HA 0.832 5.581 4.660 0.148 0.000 0.353 310 W C 0.669 177.149 176.519 -0.064 0.000 1.088 310 W CA -0.651 56.685 57.345 -0.014 0.000 1.235 310 W CB 0.967 30.432 29.460 0.009 0.000 1.362 310 W HN 0.334 nan 8.180 nan 0.000 0.592 311 M N 1.164 120.842 119.600 0.130 0.000 2.484 311 M HA 0.755 5.323 4.480 0.147 0.000 0.289 311 M C -0.187 176.051 176.300 -0.103 0.000 1.206 311 M CA -0.931 54.324 55.300 -0.075 0.000 0.892 311 M CB 1.815 34.339 32.600 -0.127 0.000 1.712 311 M HN 0.503 nan 8.290 nan 0.000 0.462 312 G N 2.220 110.802 108.800 -0.364 0.000 2.364 312 G HA2 0.546 4.594 3.960 0.147 0.000 0.267 312 G HA3 0.546 4.594 3.960 0.147 0.000 0.267 312 G C -0.083 174.770 174.900 -0.078 0.000 1.233 312 G CA -0.660 44.346 45.100 -0.156 0.000 0.885 312 G HN 0.833 nan 8.290 nan 0.000 0.490 313 L N 1.081 122.359 121.223 0.091 0.000 2.920 313 L HA 0.359 4.787 4.340 0.147 0.000 0.257 313 L C 0.046 177.090 176.870 0.290 0.000 1.150 313 L CA 0.061 54.905 54.840 0.007 0.000 0.959 313 L CB 0.640 42.296 42.059 -0.672 0.000 1.321 313 L HN 0.472 nan 8.230 nan 0.000 0.555 314 D N -1.044 119.633 120.400 0.462 0.000 2.653 314 D HA 0.214 4.942 4.640 0.147 0.000 0.258 314 D C -0.896 175.685 176.300 0.467 0.000 1.252 314 D CA -0.491 53.787 54.000 0.464 0.000 0.777 314 D CB 1.646 42.746 40.800 0.500 0.000 1.339 314 D HN 0.036 nan 8.370 nan 0.000 0.422 315 C N 0.677 120.180 119.300 0.339 0.000 2.500 315 C HA 1.006 5.554 4.460 0.147 0.000 0.367 315 C C 1.237 176.324 174.990 0.161 0.000 1.283 315 C CA 0.043 59.202 59.018 0.234 0.000 2.456 315 C CB 0.185 27.992 27.740 0.112 0.000 2.457 315 C HN 0.512 nan 8.230 nan 0.000 0.632 316 G N 0.733 109.551 108.800 0.030 0.000 2.531 316 G HA2 0.575 4.623 3.960 0.147 0.000 0.281 316 G HA3 0.575 4.623 3.960 0.147 0.000 0.281 316 G C -1.374 173.524 174.900 -0.003 0.000 1.382 316 G CA -0.435 44.681 45.100 0.027 0.000 1.045 316 G HN 0.611 nan 8.290 nan 0.000 0.533 317 P HA -0.069 nan 4.420 nan 0.000 0.216 317 P C 1.127 178.406 177.300 -0.035 0.000 1.153 317 P CA 1.092 64.183 63.100 -0.015 0.000 0.848 317 P CB 0.297 31.992 31.700 -0.008 0.000 0.787 318 E N 0.128 120.297 120.200 -0.052 0.000 2.150 318 E HA -0.060 4.378 4.350 0.147 0.000 0.193 318 E C 2.271 178.829 176.600 -0.070 0.000 0.985 318 E CA 0.884 57.249 56.400 -0.059 0.000 0.814 318 E CB -0.738 28.922 29.700 -0.067 0.000 0.752 318 E HN 0.269 nan 8.360 nan 0.000 0.466 319 S N 1.017 116.664 115.700 -0.088 0.000 2.368 319 S HA -0.064 4.494 4.470 0.147 0.000 0.224 319 S C 2.147 176.710 174.600 -0.062 0.000 1.029 319 S CA 0.638 58.788 58.200 -0.084 0.000 0.988 319 S CB -0.168 62.972 63.200 -0.099 0.000 0.838 319 S HN 0.199 nan 8.310 nan 0.000 0.462 320 I N 1.485 122.027 120.570 -0.047 0.000 2.179 320 I HA -0.246 4.012 4.170 0.147 0.000 0.242 320 I C 2.385 178.466 176.117 -0.060 0.000 1.088 320 I CA 1.280 62.552 61.300 -0.046 0.000 1.357 320 I CB -0.283 37.699 38.000 -0.030 0.000 1.051 320 I HN 0.230 nan 8.210 nan 0.000 0.409 321 K N 0.746 121.114 120.400 -0.054 0.000 2.063 321 K HA -0.158 4.250 4.320 0.147 0.000 0.208 321 K C 2.053 178.614 176.600 -0.064 0.000 1.048 321 K CA 1.487 57.741 56.287 -0.055 0.000 0.928 321 K CB -0.218 32.254 32.500 -0.046 0.000 0.713 321 K HN 0.298 nan 8.250 nan 0.000 0.442 322 I N 1.637 122.169 120.570 -0.065 0.000 2.226 322 I HA -0.278 3.980 4.170 0.147 0.000 0.245 322 I C 1.734 177.795 176.117 -0.092 0.000 1.100 322 I CA 0.946 62.205 61.300 -0.069 0.000 1.374 322 I CB -0.347 37.618 38.000 -0.059 0.000 1.057 322 I HN 0.182 nan 8.210 nan 0.000 0.413 323 N N 1.232 119.872 118.700 -0.101 0.000 2.244 323 N HA -0.108 4.720 4.740 0.147 0.000 0.183 323 N C 1.909 177.332 175.510 -0.145 0.000 1.016 323 N CA 1.500 54.470 53.050 -0.133 0.000 0.866 323 N CB -0.355 38.049 38.487 -0.140 0.000 0.980 323 N HN 0.354 nan 8.380 nan 0.000 0.430 324 A N 1.178 123.926 122.820 -0.118 0.000 1.933 324 A HA -0.168 4.240 4.320 0.147 0.000 0.218 324 A C 2.173 179.685 177.584 -0.119 0.000 1.175 324 A CA 1.224 53.193 52.037 -0.113 0.000 0.628 324 A CB -0.483 18.465 19.000 -0.087 0.000 0.814 324 A HN 0.332 nan 8.150 nan 0.000 0.444 325 Q N -0.774 118.957 119.800 -0.115 0.000 2.046 325 Q HA -0.059 4.370 4.340 0.147 0.000 0.200 325 Q C 2.113 178.004 176.000 -0.181 0.000 0.975 325 Q CA 1.559 57.290 55.803 -0.121 0.000 0.836 325 Q CB -0.296 28.385 28.738 -0.096 0.000 0.896 325 Q HN 0.800 nan 8.270 nan 0.000 0.428 326 I N -0.195 120.246 120.570 -0.216 0.000 2.353 326 I HA -0.197 4.061 4.170 0.147 0.000 0.248 326 I C 1.838 177.746 176.117 -0.348 0.000 1.119 326 I CA 0.690 61.779 61.300 -0.352 0.000 1.417 326 I CB 0.147 37.965 38.000 -0.304 0.000 1.078 326 I HN -0.001 nan 8.210 nan 0.000 0.421 327 V N 1.655 121.424 119.914 -0.243 0.000 2.343 327 V HA -0.261 3.947 4.120 0.147 0.000 0.247 327 V C 2.793 178.787 176.094 -0.167 0.000 1.051 327 V CA 1.830 64.009 62.300 -0.201 0.000 1.036 327 V CB -1.117 30.596 31.823 -0.183 0.000 0.654 327 V HN 0.594 nan 8.190 nan 0.000 0.451 328 A N 0.490 123.217 122.820 -0.155 0.000 2.019 328 A HA -0.229 4.179 4.320 0.147 0.000 0.219 328 A C 2.040 179.549 177.584 -0.125 0.000 1.164 328 A CA 1.595 53.561 52.037 -0.119 0.000 0.644 328 A CB -0.408 18.532 19.000 -0.101 0.000 0.805 328 A HN 0.778 nan 8.150 nan 0.000 0.449 329 Q N -0.765 118.923 119.800 -0.186 0.000 2.228 329 Q HA 0.587 5.015 4.340 0.147 0.000 0.211 329 Q C 0.214 176.113 176.000 -0.169 0.000 0.890 329 Q CA 0.204 55.900 55.803 -0.178 0.000 0.953 329 Q CB -0.169 28.432 28.738 -0.229 0.000 1.053 329 Q HN 0.439 nan 8.270 nan 0.000 0.471 330 A N 0.852 123.591 122.820 -0.135 0.000 2.337 330 A HA 0.507 4.915 4.320 0.147 0.000 0.331 330 A C 0.072 177.645 177.584 -0.018 0.000 1.137 330 A CA -0.774 51.227 52.037 -0.060 0.000 0.807 330 A CB 1.441 20.408 19.000 -0.054 0.000 1.250 330 A HN 0.242 nan 8.150 nan 0.000 0.468 331 K N -0.506 119.903 120.400 0.016 0.000 2.412 331 K HA 0.262 4.670 4.320 0.147 0.000 0.202 331 K C -0.950 175.642 176.600 -0.013 0.000 1.102 331 K CA 0.155 56.441 56.287 -0.002 0.000 1.027 331 K CB 0.636 33.133 32.500 -0.005 0.000 0.931 331 K HN 0.463 nan 8.250 nan 0.000 0.557 332 L N 1.125 122.356 121.223 0.013 0.000 2.464 332 L HA 0.522 4.950 4.340 0.147 0.000 0.266 332 L C -1.814 175.140 176.870 0.141 0.000 0.965 332 L CA -0.615 54.210 54.840 -0.026 0.000 0.833 332 L CB 1.687 43.573 42.059 -0.288 0.000 1.296 332 L HN -0.061 nan 8.230 nan 0.000 0.405 333 I N 5.177 125.828 120.570 0.133 0.000 2.569 333 I HA 0.524 4.782 4.170 0.147 0.000 0.290 333 I C -1.110 175.148 176.117 0.235 0.000 1.088 333 I CA -0.926 60.495 61.300 0.201 0.000 1.047 333 I CB 2.349 40.409 38.000 0.099 0.000 1.237 333 I HN 0.245 nan 8.210 nan 0.000 0.421 334 V N 5.114 125.217 119.914 0.315 0.000 2.376 334 V HA 0.313 4.521 4.120 0.147 0.000 0.287 334 V C -1.178 175.099 176.094 0.306 0.000 1.015 334 V CA -0.403 62.078 62.300 0.302 0.000 0.834 334 V CB 1.747 33.794 31.823 0.374 0.000 1.001 334 V HN 0.612 nan 8.190 nan 0.000 0.428 335 W N 6.399 127.750 121.300 0.085 0.000 2.361 335 W HA 0.525 5.275 4.660 0.150 0.000 0.314 335 W C -0.419 176.136 176.519 0.061 0.000 1.041 335 W CA -1.211 56.168 57.345 0.056 0.000 1.241 335 W CB 1.165 30.644 29.460 0.032 0.000 1.279 335 W HN 0.533 nan 8.180 nan 0.000 0.436 336 N N 4.319 123.302 118.700 0.472 0.000 2.609 336 N HA 0.452 5.280 4.740 0.147 0.000 0.268 336 N C -0.687 174.943 175.510 0.199 0.000 1.106 336 N CA 0.313 53.481 53.050 0.197 0.000 0.823 336 N CB 1.153 39.743 38.487 0.172 0.000 1.263 336 N HN 0.717 nan 8.380 nan 0.000 0.533 337 G N 3.103 111.936 108.800 0.055 0.000 3.367 337 G HA2 -0.128 3.920 3.960 0.147 0.000 0.686 337 G HA3 -0.128 3.920 3.960 0.147 0.000 0.686 337 G C -3.239 171.824 174.900 0.272 0.000 1.146 337 G CA -1.074 44.094 45.100 0.113 0.000 0.913 337 G HN 0.345 nan 8.290 nan 0.000 0.554 338 P HA 0.258 nan 4.420 nan 0.000 0.270 338 P C 1.176 178.693 177.300 0.361 0.000 1.227 338 P CA -0.558 62.717 63.100 0.291 0.000 0.788 338 P CB 0.559 32.343 31.700 0.141 0.000 0.926 339 I N -0.779 120.017 120.570 0.378 0.000 3.603 339 I HA 0.227 4.485 4.170 0.147 0.000 0.297 339 I C 1.268 177.561 176.117 0.293 0.000 1.269 339 I CA 0.964 62.432 61.300 0.281 0.000 1.361 339 I CB -1.254 36.875 38.000 0.214 0.000 1.063 339 I HN 0.413 nan 8.210 nan 0.000 0.448 340 G N 0.063 109.072 108.800 0.347 0.000 2.663 340 G HA2 0.437 4.485 3.960 0.147 0.000 0.299 340 G HA3 0.437 4.485 3.960 0.147 0.000 0.299 340 G C -1.165 173.941 174.900 0.344 0.000 1.372 340 G CA -0.392 44.916 45.100 0.346 0.000 0.781 340 G HN -0.263 nan 8.290 nan 0.000 0.491 341 V N 2.457 122.517 119.914 0.243 0.000 2.242 341 V HA 0.111 4.319 4.120 0.147 0.000 0.242 341 V C 1.440 177.576 176.094 0.070 0.000 1.240 341 V CA 0.244 62.541 62.300 -0.004 0.000 1.211 341 V CB -1.517 30.160 31.823 -0.244 0.000 1.338 341 V HN 0.621 nan 8.190 nan 0.000 0.499 342 F N 1.788 121.807 119.950 0.115 0.000 2.269 342 F HA -0.106 4.508 4.527 0.145 0.000 0.301 342 F C 1.719 177.604 175.800 0.140 0.000 1.082 342 F CA 1.054 59.175 58.000 0.203 0.000 1.360 342 F CB -0.464 38.655 39.000 0.198 0.000 1.041 342 F HN 0.389 nan 8.300 nan 0.000 0.512 343 E N -0.212 119.442 120.200 -0.910 0.000 2.204 343 E HA -0.132 4.306 4.350 0.147 0.000 0.195 343 E C -0.145 176.486 176.600 0.051 0.000 0.990 343 E CA 0.902 56.974 56.400 -0.547 0.000 0.821 343 E CB -0.314 28.939 29.700 -0.746 0.000 0.750 343 E HN 0.421 nan 8.360 nan 0.000 0.477 344 W N 1.583 122.875 121.300 -0.013 0.000 2.329 344 W HA 0.246 4.992 4.660 0.144 0.000 0.312 344 W C 0.286 176.877 176.519 0.119 0.000 1.054 344 W CA -1.783 55.611 57.345 0.082 0.000 1.245 344 W CB 0.753 30.326 29.460 0.188 0.000 1.255 344 W HN -0.083 nan 8.180 nan 0.000 0.436 345 D N 2.395 122.959 120.400 0.273 0.000 2.157 345 D HA -0.243 4.485 4.640 0.147 0.000 0.191 345 D C 2.123 178.452 176.300 0.049 0.000 1.004 345 D CA 2.481 56.580 54.000 0.164 0.000 0.854 345 D CB -0.474 40.384 40.800 0.097 0.000 0.936 345 D HN 0.400 nan 8.370 nan 0.000 0.446 346 A N -0.502 122.241 122.820 -0.128 0.000 2.070 346 A HA -0.100 4.308 4.320 0.147 0.000 0.220 346 A C 1.139 178.347 177.584 -0.627 0.000 1.159 346 A CA 0.862 52.607 52.037 -0.486 0.000 0.656 346 A CB -0.507 17.984 19.000 -0.848 0.000 0.800 346 A HN 0.284 nan 8.150 nan 0.000 0.453 347 F N -2.218 117.885 119.950 0.255 0.000 2.835 347 F HA 0.520 5.134 4.527 0.146 0.000 0.342 347 F C 1.368 177.328 175.800 0.267 0.000 1.202 347 F CA 0.244 58.401 58.000 0.262 0.000 1.240 347 F CB 0.422 39.600 39.000 0.296 0.000 1.005 347 F HN 0.142 nan 8.300 nan 0.000 0.507 348 A N -0.456 122.567 122.820 0.340 0.000 2.288 348 A HA 0.155 4.563 4.320 0.147 0.000 0.216 348 A C 2.135 179.880 177.584 0.268 0.000 1.199 348 A CA 0.031 52.301 52.037 0.390 0.000 0.891 348 A CB 0.079 19.349 19.000 0.451 0.000 0.923 348 A HN -0.018 nan 8.150 nan 0.000 0.500 349 K N 0.415 120.917 120.400 0.170 0.000 2.044 349 K HA -0.159 4.249 4.320 0.147 0.000 0.210 349 K C 2.052 178.699 176.600 0.079 0.000 1.049 349 K CA 1.597 57.930 56.287 0.077 0.000 0.927 349 K CB -0.968 31.569 32.500 0.062 0.000 0.713 349 K HN 0.421 nan 8.250 nan 0.000 0.443 350 G N 0.873 109.762 108.800 0.149 0.000 2.446 350 G HA2 -0.261 3.787 3.960 0.147 0.000 0.217 350 G HA3 -0.261 3.787 3.960 0.147 0.000 0.217 350 G C 1.580 176.568 174.900 0.146 0.000 1.168 350 G CA 1.564 46.747 45.100 0.137 0.000 0.771 350 G HN 0.291 nan 8.290 nan 0.000 0.551 351 T N 0.368 115.074 114.554 0.254 0.000 2.904 351 T HA 0.006 4.444 4.350 0.147 0.000 0.267 351 T C 2.319 177.157 174.700 0.230 0.000 1.059 351 T CA 1.200 63.520 62.100 0.367 0.000 1.137 351 T CB -0.073 69.128 68.868 0.556 0.000 0.879 351 T HN 0.274 nan 8.240 nan 0.000 0.467 352 K N 1.079 121.441 120.400 -0.062 0.000 2.026 352 K HA 0.015 4.423 4.320 0.147 0.000 0.208 352 K C 2.686 179.128 176.600 -0.264 0.000 1.048 352 K CA 1.205 57.162 56.287 -0.551 0.000 0.929 352 K CB -0.283 31.859 32.500 -0.597 0.000 0.713 352 K HN 0.266 nan 8.250 nan 0.000 0.439 353 A N 1.493 124.237 122.820 -0.126 0.000 1.858 353 A HA -0.185 4.223 4.320 0.147 0.000 0.216 353 A C 2.086 179.625 177.584 -0.075 0.000 1.190 353 A CA 1.272 53.254 52.037 -0.092 0.000 0.617 353 A CB -0.690 18.274 19.000 -0.061 0.000 0.827 353 A HN 0.241 nan 8.150 nan 0.000 0.443 354 L N -1.056 120.130 121.223 -0.062 0.000 2.043 354 L HA -0.209 4.219 4.340 0.147 0.000 0.212 354 L C 2.461 179.277 176.870 -0.091 0.000 1.075 354 L CA 2.838 57.582 54.840 -0.160 0.000 0.752 354 L CB -0.623 41.270 42.059 -0.278 0.000 0.891 354 L HN 0.502 nan 8.230 nan 0.000 0.432 355 M N -0.522 119.168 119.600 0.149 0.000 2.117 355 M HA -0.197 4.371 4.480 0.147 0.000 0.262 355 M C 1.711 178.080 176.300 0.115 0.000 1.065 355 M CA 1.860 57.350 55.300 0.318 0.000 1.114 355 M CB -0.673 32.141 32.600 0.357 0.000 1.361 355 M HN 0.274 nan 8.290 nan 0.000 0.408 356 D N 0.043 120.443 120.400 0.001 0.000 2.123 356 D HA -0.161 4.567 4.640 0.147 0.000 0.196 356 D C 1.978 178.266 176.300 -0.020 0.000 0.992 356 D CA 1.338 55.323 54.000 -0.025 0.000 0.833 356 D CB -0.339 40.421 40.800 -0.067 0.000 0.954 356 D HN 0.439 nan 8.370 nan 0.000 0.455 357 E N 0.262 120.436 120.200 -0.044 0.000 2.106 357 E HA -0.067 4.371 4.350 0.147 0.000 0.192 357 E C 2.397 178.969 176.600 -0.046 0.000 0.984 357 E CA 0.261 56.624 56.400 -0.062 0.000 0.806 357 E CB -0.252 29.387 29.700 -0.102 0.000 0.750 357 E HN 0.185 nan 8.360 nan 0.000 0.458 358 V N 1.037 120.937 119.914 -0.024 0.000 2.515 358 V HA -0.169 4.039 4.120 0.147 0.000 0.250 358 V C 2.504 178.629 176.094 0.051 0.000 1.058 358 V CA 0.989 63.302 62.300 0.022 0.000 1.064 358 V CB -0.351 31.546 31.823 0.123 0.000 0.675 358 V HN 0.052 nan 8.190 nan 0.000 0.461 359 V N -0.031 119.919 119.914 0.060 0.000 2.358 359 V HA -0.229 3.979 4.120 0.147 0.000 0.246 359 V C 2.431 178.538 176.094 0.021 0.000 1.047 359 V CA 1.841 64.170 62.300 0.049 0.000 1.035 359 V CB -0.662 31.191 31.823 0.050 0.000 0.658 359 V HN 0.544 nan 8.190 nan 0.000 0.452 360 K N 0.402 120.804 120.400 0.004 0.000 2.155 360 K HA -0.031 4.377 4.320 0.147 0.000 0.203 360 K C 2.306 178.899 176.600 -0.012 0.000 1.052 360 K CA 1.302 57.584 56.287 -0.008 0.000 0.948 360 K CB -0.366 32.121 32.500 -0.021 0.000 0.728 360 K HN 0.457 nan 8.250 nan 0.000 0.448 361 A N 1.417 124.228 122.820 -0.015 0.000 1.933 361 A HA -0.149 4.259 4.320 0.147 0.000 0.218 361 A C 2.240 179.821 177.584 -0.006 0.000 1.175 361 A CA 1.982 54.008 52.037 -0.019 0.000 0.628 361 A CB -0.927 18.057 19.000 -0.027 0.000 0.814 361 A HN 0.241 nan 8.150 nan 0.000 0.444 362 T N 0.135 114.693 114.554 0.008 0.000 2.746 362 T HA -0.101 4.337 4.350 0.147 0.000 0.267 362 T C 2.156 176.860 174.700 0.007 0.000 1.039 362 T CA 1.647 63.755 62.100 0.013 0.000 1.142 362 T CB -0.334 68.548 68.868 0.024 0.000 0.866 362 T HN 0.478 nan 8.240 nan 0.000 0.444 363 S N 2.336 118.039 115.700 0.004 0.000 2.419 363 S HA -0.115 4.443 4.470 0.147 0.000 0.233 363 S C 1.820 176.417 174.600 -0.004 0.000 1.016 363 S CA 1.254 59.455 58.200 0.001 0.000 0.974 363 S CB -0.405 62.795 63.200 -0.000 0.000 0.786 363 S HN 0.803 nan 8.310 nan 0.000 0.492 364 N N 0.201 118.897 118.700 -0.008 0.000 2.336 364 N HA 0.236 5.064 4.740 0.147 0.000 0.189 364 N C 0.862 176.365 175.510 -0.011 0.000 1.113 364 N CA 0.801 53.844 53.050 -0.012 0.000 0.858 364 N CB 0.134 38.610 38.487 -0.018 0.000 0.970 364 N HN 0.281 nan 8.380 nan 0.000 0.471 365 G N -1.264 107.531 108.800 -0.008 0.000 2.168 365 G HA2 -0.227 3.821 3.960 0.147 0.000 0.197 365 G HA3 -0.227 3.821 3.960 0.147 0.000 0.197 365 G C -0.096 174.799 174.900 -0.009 0.000 0.997 365 G CA -0.186 44.909 45.100 -0.008 0.000 0.658 365 G HN 0.536 nan 8.290 nan 0.000 0.513 366 C N 1.322 120.618 119.300 -0.007 0.000 2.536 366 C HA 0.633 5.181 4.460 0.147 0.000 0.396 366 C C 1.176 176.168 174.990 0.004 0.000 1.279 366 C CA -0.256 58.758 59.018 -0.006 0.000 2.148 366 C CB 0.478 28.214 27.740 -0.006 0.000 2.584 366 C HN 0.545 nan 8.230 nan 0.000 0.579 367 V N 6.129 126.043 119.914 -0.001 0.000 2.385 367 V HA 0.379 4.587 4.120 0.147 0.000 0.269 367 V C 0.603 176.711 176.094 0.024 0.000 1.043 367 V CA -0.004 62.304 62.300 0.012 0.000 0.906 367 V CB 1.099 32.918 31.823 -0.006 0.000 0.995 367 V HN 1.006 nan 8.190 nan 0.000 0.467 368 T N 3.444 118.018 114.554 0.034 0.000 2.791 368 T HA 0.754 5.192 4.350 0.147 0.000 0.288 368 T C -0.732 173.980 174.700 0.019 0.000 0.999 368 T CA -0.451 61.680 62.100 0.052 0.000 0.952 368 T CB 0.848 69.759 68.868 0.071 0.000 0.938 368 T HN 0.330 nan 8.240 nan 0.000 0.444 369 I N 3.826 124.413 120.570 0.028 0.000 2.355 369 I HA 0.418 4.676 4.170 0.147 0.000 0.288 369 I C -0.733 175.407 176.117 0.038 0.000 0.999 369 I CA -1.100 60.169 61.300 -0.051 0.000 1.163 369 I CB 1.407 39.321 38.000 -0.143 0.000 1.316 369 I HN 0.497 nan 8.210 nan 0.000 0.454 370 I N 5.054 125.604 120.570 -0.034 0.000 2.359 370 I HA 0.352 4.610 4.170 0.147 0.000 0.294 370 I C 0.896 177.006 176.117 -0.012 0.000 0.987 370 I CA -0.069 61.209 61.300 -0.038 0.000 1.225 370 I CB 1.558 39.462 38.000 -0.160 0.000 1.366 370 I HN 0.581 nan 8.210 nan 0.000 0.466 371 G N 4.497 113.319 108.800 0.036 0.000 2.354 371 G HA2 0.358 4.406 3.960 0.147 0.000 0.266 371 G HA3 0.358 4.406 3.960 0.147 0.000 0.266 371 G C 0.679 175.573 174.900 -0.009 0.000 1.242 371 G CA -0.528 44.637 45.100 0.107 0.000 0.923 371 G HN 0.932 nan 8.290 nan 0.000 0.476 372 G N 1.506 110.335 108.800 0.049 0.000 2.686 372 G HA2 0.451 4.499 3.960 0.147 0.000 0.280 372 G HA3 0.451 4.499 3.960 0.147 0.000 0.280 372 G C 0.704 175.582 174.900 -0.037 0.000 0.666 372 G CA 0.498 45.594 45.100 -0.006 0.000 2.114 372 G HN 0.972 nan 8.290 nan 0.000 0.553 373 G N 0.539 109.283 108.800 -0.095 0.000 3.198 373 G HA2 0.305 4.353 3.960 0.147 0.000 0.166 373 G HA3 0.305 4.353 3.960 0.147 0.000 0.166 373 G C 0.461 175.277 174.900 -0.141 0.000 1.134 373 G CA 0.006 45.056 45.100 -0.084 0.000 0.941 373 G HN 0.110 nan 8.290 nan 0.000 0.639 374 D N 0.501 120.817 120.400 -0.140 0.000 2.182 374 D HA -0.058 4.670 4.640 0.147 0.000 0.201 374 D C 2.577 178.568 176.300 -0.516 0.000 0.986 374 D CA 1.828 55.689 54.000 -0.231 0.000 0.847 374 D CB -0.279 40.456 40.800 -0.109 0.000 0.942 374 D HN 0.287 nan 8.370 nan 0.000 0.467 375 T N 0.327 114.586 114.554 -0.491 0.000 2.821 375 T HA -0.067 4.372 4.350 0.147 0.000 0.267 375 T C 2.027 176.388 174.700 -0.565 0.000 1.046 375 T CA 1.271 62.941 62.100 -0.717 0.000 1.139 375 T CB -0.156 68.194 68.868 -0.862 0.000 0.871 375 T HN 0.187 nan 8.240 nan 0.000 0.454 376 A N 1.495 124.091 122.820 -0.374 0.000 1.930 376 A HA -0.065 4.343 4.320 0.147 0.000 0.217 376 A C 2.552 179.971 177.584 -0.275 0.000 1.175 376 A CA 1.740 53.612 52.037 -0.275 0.000 0.627 376 A CB -1.184 17.710 19.000 -0.176 0.000 0.815 376 A HN 0.446 nan 8.150 nan 0.000 0.443 377 T N -0.475 113.905 114.554 -0.291 0.000 2.708 377 T HA -0.205 4.233 4.350 0.147 0.000 0.266 377 T C 1.919 176.371 174.700 -0.414 0.000 1.037 377 T CA 1.677 63.619 62.100 -0.263 0.000 1.146 377 T CB -0.723 68.042 68.868 -0.171 0.000 0.865 377 T HN 0.588 nan 8.240 nan 0.000 0.435 378 C N 1.082 119.992 119.300 -0.649 0.000 2.413 378 C HA -0.100 4.448 4.460 0.147 0.000 0.276 378 C C 3.111 177.755 174.990 -0.577 0.000 1.248 378 C CA -0.007 58.459 59.018 -0.920 0.000 1.742 378 C CB -1.492 25.691 27.740 -0.928 0.000 2.017 378 C HN 0.674 nan 8.230 nan 0.000 0.481 379 C N 1.048 120.154 119.300 -0.324 0.000 2.413 379 C HA -0.081 4.467 4.460 0.147 0.000 0.276 379 C C 3.120 178.047 174.990 -0.105 0.000 1.248 379 C CA 1.305 60.246 59.018 -0.129 0.000 1.742 379 C CB -1.573 26.081 27.740 -0.143 0.000 2.017 379 C HN 0.722 nan 8.230 nan 0.000 0.481 380 A N 0.239 122.960 122.820 -0.165 0.000 1.929 380 A HA -0.163 4.245 4.320 0.147 0.000 0.216 380 A C 2.238 179.744 177.584 -0.129 0.000 1.176 380 A CA 1.740 53.707 52.037 -0.117 0.000 0.628 380 A CB -0.548 18.384 19.000 -0.114 0.000 0.816 380 A HN 0.672 nan 8.150 nan 0.000 0.444 381 K N -1.183 119.056 120.400 -0.268 0.000 2.032 381 K HA -0.169 4.239 4.320 0.147 0.000 0.209 381 K C 0.996 177.485 176.600 -0.185 0.000 1.048 381 K CA 1.631 57.714 56.287 -0.340 0.000 0.927 381 K CB -0.201 31.875 32.500 -0.708 0.000 0.712 381 K HN 0.677 nan 8.250 nan 0.000 0.441 382 W N 0.647 121.954 121.300 0.012 0.000 3.330 382 W HA 0.317 5.067 4.660 0.152 0.000 0.348 382 W C 0.551 177.076 176.519 0.009 0.000 1.205 382 W CA 0.283 57.639 57.345 0.019 0.000 1.841 382 W CB -0.592 28.886 29.460 0.029 0.000 1.084 382 W HN 0.418 nan 8.180 nan 0.000 0.665 383 G N 1.901 110.790 108.800 0.148 0.000 2.338 383 G HA2 -0.329 3.719 3.960 0.147 0.000 0.296 383 G HA3 -0.329 3.719 3.960 0.147 0.000 0.296 383 G C 0.651 175.605 174.900 0.090 0.000 1.040 383 G CA 1.086 46.240 45.100 0.090 0.000 1.004 383 G HN 0.264 nan 8.290 nan 0.000 0.509 384 T N -3.707 110.904 114.554 0.094 0.000 3.129 384 T HA 0.366 4.804 4.350 0.147 0.000 0.267 384 T C 1.364 176.083 174.700 0.033 0.000 1.018 384 T CA 0.675 62.824 62.100 0.082 0.000 0.903 384 T CB 0.387 69.335 68.868 0.132 0.000 1.067 384 T HN 0.429 nan 8.240 nan 0.000 0.549 385 E N 1.698 121.900 120.200 0.003 0.000 2.160 385 E HA -0.138 4.300 4.350 0.147 0.000 0.195 385 E C 0.965 177.553 176.600 -0.021 0.000 0.991 385 E CA 1.218 57.600 56.400 -0.030 0.000 0.810 385 E CB 0.001 29.678 29.700 -0.040 0.000 0.742 385 E HN 0.501 nan 8.360 nan 0.000 0.466 386 D N -0.488 119.912 120.400 0.000 0.000 2.340 386 D HA 0.048 4.776 4.640 0.147 0.000 0.217 386 D C 0.655 176.963 176.300 0.014 0.000 1.081 386 D CA 0.327 54.330 54.000 0.005 0.000 0.842 386 D CB 0.428 41.235 40.800 0.010 0.000 0.934 386 D HN 0.051 nan 8.370 nan 0.000 0.511 387 K N 0.072 120.484 120.400 0.020 0.000 2.358 387 K HA 0.120 4.528 4.320 0.147 0.000 0.200 387 K C 0.520 177.138 176.600 0.030 0.000 1.030 387 K CA 0.010 56.314 56.287 0.028 0.000 1.097 387 K CB 1.546 34.071 32.500 0.041 0.000 0.862 387 K HN -0.012 nan 8.250 nan 0.000 0.534 388 V N -3.345 116.580 119.914 0.019 0.000 2.960 388 V HA 0.351 4.559 4.120 0.147 0.000 0.315 388 V C 1.029 177.120 176.094 -0.005 0.000 1.087 388 V CA -0.803 61.508 62.300 0.018 0.000 0.982 388 V CB 1.978 33.815 31.823 0.022 0.000 1.039 388 V HN -0.088 nan 8.190 nan 0.000 0.437 389 S N 0.578 116.277 115.700 -0.001 0.000 2.353 389 S HA -0.109 4.449 4.470 0.147 0.000 0.222 389 S C 0.520 175.078 174.600 -0.070 0.000 1.035 389 S CA 2.265 60.466 58.200 0.001 0.000 1.025 389 S CB -0.443 62.779 63.200 0.037 0.000 0.902 389 S HN 1.082 nan 8.310 nan 0.000 0.440 390 H N -0.802 118.073 119.070 -0.326 0.000 2.966 390 H HA 0.532 5.177 4.556 0.147 0.000 0.347 390 H C -1.753 173.382 175.328 -0.322 0.000 1.048 390 H CA -0.562 55.173 56.048 -0.521 0.000 1.295 390 H CB 1.201 30.186 29.762 -1.296 0.000 1.744 390 H HN -0.085 nan 8.280 nan 0.000 0.513 391 V N 4.704 124.168 119.914 -0.749 0.000 2.304 391 V HA 0.260 4.468 4.120 0.147 0.000 0.278 391 V C 0.481 176.169 176.094 -0.677 0.000 1.018 391 V CA -0.553 61.429 62.300 -0.530 0.000 0.814 391 V CB 0.880 32.533 31.823 -0.285 0.000 1.021 391 V HN 0.889 nan 8.190 nan 0.000 0.440 392 S N 3.363 118.744 115.700 -0.532 0.000 2.573 392 S HA 0.066 4.624 4.470 0.147 0.000 0.277 392 S C 1.488 176.086 174.600 -0.004 0.000 1.346 392 S CA 0.435 58.534 58.200 -0.168 0.000 1.034 392 S CB 0.974 64.360 63.200 0.311 0.000 0.879 392 S HN 0.985 nan 8.310 nan 0.000 0.528 393 T N 0.786 115.432 114.554 0.154 0.000 3.086 393 T HA 0.353 4.791 4.350 0.147 0.000 0.250 393 T C 0.572 175.400 174.700 0.214 0.000 1.074 393 T CA 0.172 62.371 62.100 0.166 0.000 0.988 393 T CB 0.082 69.066 68.868 0.194 0.000 0.988 393 T HN 0.709 nan 8.240 nan 0.000 0.530 394 G N -0.404 108.582 108.800 0.311 0.000 2.805 394 G HA2 0.545 4.593 3.960 0.147 0.000 0.283 394 G HA3 0.545 4.593 3.960 0.147 0.000 0.283 394 G C 0.703 175.600 174.900 -0.005 0.000 1.508 394 G CA -0.255 44.898 45.100 0.089 0.000 1.042 394 G HN 0.202 nan 8.290 nan 0.000 0.543 395 G N 1.725 110.495 108.800 -0.050 0.000 2.394 395 G HA2 0.086 4.134 3.960 0.147 0.000 0.214 395 G HA3 0.086 4.134 3.960 0.147 0.000 0.214 395 G C 1.710 176.494 174.900 -0.192 0.000 1.176 395 G CA 1.429 46.483 45.100 -0.077 0.000 0.786 395 G HN 0.885 nan 8.290 nan 0.000 0.533 396 G N 1.041 109.653 108.800 -0.313 0.000 2.408 396 G HA2 0.079 4.127 3.960 0.147 0.000 0.217 396 G HA3 0.079 4.127 3.960 0.147 0.000 0.217 396 G C 2.027 176.456 174.900 -0.786 0.000 1.150 396 G CA 1.533 46.308 45.100 -0.541 0.000 0.776 396 G HN 0.619 nan 8.290 nan 0.000 0.542 397 A N 1.475 123.754 122.820 -0.902 0.000 1.877 397 A HA -0.037 4.371 4.320 0.147 0.000 0.216 397 A C 2.776 180.061 177.584 -0.499 0.000 1.186 397 A CA 2.654 54.227 52.037 -0.772 0.000 0.620 397 A CB -0.903 17.419 19.000 -1.131 0.000 0.822 397 A HN 0.743 nan 8.150 nan 0.000 0.443 398 S N -0.345 115.116 115.700 -0.400 0.000 2.383 398 S HA -0.157 4.401 4.470 0.147 0.000 0.229 398 S C 1.770 176.193 174.600 -0.296 0.000 1.030 398 S CA 1.550 59.461 58.200 -0.482 0.000 1.002 398 S CB -0.629 62.364 63.200 -0.345 0.000 0.829 398 S HN 0.226 nan 8.310 nan 0.000 0.467 399 L N 2.105 123.208 121.223 -0.200 0.000 2.012 399 L HA -0.057 4.371 4.340 0.147 0.000 0.210 399 L C 2.828 179.640 176.870 -0.097 0.000 1.073 399 L CA 1.814 56.589 54.840 -0.109 0.000 0.748 399 L CB -0.865 41.132 42.059 -0.105 0.000 0.891 399 L HN 0.285 nan 8.230 nan 0.000 0.431 400 E N -0.590 119.524 120.200 -0.142 0.000 2.051 400 E HA -0.197 4.241 4.350 0.147 0.000 0.192 400 E C 2.358 178.921 176.600 -0.061 0.000 0.991 400 E CA 1.171 57.517 56.400 -0.090 0.000 0.799 400 E CB -0.402 29.239 29.700 -0.099 0.000 0.748 400 E HN 0.456 nan 8.360 nan 0.000 0.449 401 L N 0.486 121.649 121.223 -0.099 0.000 2.017 401 L HA -0.169 4.259 4.340 0.147 0.000 0.208 401 L C 2.552 179.435 176.870 0.022 0.000 1.073 401 L CA 0.937 55.750 54.840 -0.045 0.000 0.745 401 L CB -0.479 41.510 42.059 -0.116 0.000 0.894 401 L HN 0.102 nan 8.230 nan 0.000 0.432 402 L N -0.596 120.639 121.223 0.020 0.000 2.549 402 L HA -0.146 4.282 4.340 0.147 0.000 0.229 402 L C 2.126 179.040 176.870 0.073 0.000 1.158 402 L CA 0.664 55.568 54.840 0.107 0.000 0.842 402 L CB -0.278 41.865 42.059 0.140 0.000 0.952 402 L HN 0.322 nan 8.230 nan 0.000 0.452 403 E N -0.334 119.888 120.200 0.037 0.000 2.415 403 E HA 0.058 4.496 4.350 0.147 0.000 0.197 403 E C 1.308 177.928 176.600 0.035 0.000 1.007 403 E CA 0.508 56.927 56.400 0.031 0.000 0.890 403 E CB 0.453 30.161 29.700 0.013 0.000 0.891 403 E HN 0.388 nan 8.360 nan 0.000 0.496 404 G N 1.622 110.445 108.800 0.039 0.000 2.144 404 G HA2 -0.230 3.818 3.960 0.147 0.000 0.218 404 G HA3 -0.230 3.818 3.960 0.147 0.000 0.218 404 G C -0.063 174.855 174.900 0.029 0.000 0.988 404 G CA 0.057 45.182 45.100 0.041 0.000 0.659 404 G HN 0.106 nan 8.290 nan 0.000 0.522 405 K N 0.347 120.758 120.400 0.018 0.000 2.095 405 K HA 0.716 5.124 4.320 0.147 0.000 0.252 405 K C 1.061 177.668 176.600 0.012 0.000 0.977 405 K CA -0.621 55.673 56.287 0.011 0.000 0.900 405 K CB 1.503 34.004 32.500 0.001 0.000 1.060 405 K HN 0.476 nan 8.250 nan 0.000 0.449 406 I N -1.016 119.562 120.570 0.013 0.000 2.677 406 I HA 0.347 4.605 4.170 0.147 0.000 0.305 406 I C -0.667 175.456 176.117 0.009 0.000 0.988 406 I CA -0.970 60.341 61.300 0.018 0.000 1.260 406 I CB 0.677 38.690 38.000 0.021 0.000 1.410 406 I HN 0.315 nan 8.210 nan 0.000 0.523 407 L N 4.880 126.111 121.223 0.014 0.000 2.272 407 L HA 0.351 4.779 4.340 0.147 0.000 0.289 407 L C -1.698 175.176 176.870 0.007 0.000 1.032 407 L CA -1.449 53.393 54.840 0.004 0.000 0.810 407 L CB 1.267 43.326 42.059 0.001 0.000 1.205 407 L HN 0.415 nan 8.230 nan 0.000 0.422 408 P HA -0.167 nan 4.420 nan 0.000 0.216 408 P C 1.498 178.799 177.300 0.002 0.000 1.150 408 P CA 1.185 64.276 63.100 -0.015 0.000 0.843 408 P CB 0.272 31.943 31.700 -0.047 0.000 0.787 409 G N -0.887 107.913 108.800 0.000 0.000 2.470 409 G HA2 -0.174 3.874 3.960 0.147 0.000 0.220 409 G HA3 -0.174 3.874 3.960 0.147 0.000 0.220 409 G C 1.472 176.415 174.900 0.072 0.000 1.121 409 G CA 0.527 45.649 45.100 0.037 0.000 0.766 409 G HN 0.194 nan 8.290 nan 0.000 0.553 410 V N 0.371 120.322 119.914 0.062 0.000 2.426 410 V HA -0.023 4.185 4.120 0.147 0.000 0.242 410 V C 2.567 178.700 176.094 0.064 0.000 1.036 410 V CA 1.293 63.640 62.300 0.078 0.000 1.044 410 V CB -0.163 31.709 31.823 0.083 0.000 0.688 410 V HN 0.247 nan 8.190 nan 0.000 0.462 411 E N 0.926 121.154 120.200 0.046 0.000 2.267 411 E HA -0.173 4.265 4.350 0.147 0.000 0.197 411 E C 2.172 178.793 176.600 0.034 0.000 0.998 411 E CA 1.371 57.792 56.400 0.035 0.000 0.830 411 E CB -0.341 29.373 29.700 0.023 0.000 0.751 411 E HN 0.574 nan 8.360 nan 0.000 0.491 412 A N 0.643 123.487 122.820 0.039 0.000 2.119 412 A HA -0.016 4.392 4.320 0.147 0.000 0.216 412 A C 1.116 178.731 177.584 0.050 0.000 1.152 412 A CA 0.101 52.157 52.037 0.031 0.000 0.708 412 A CB -0.036 18.979 19.000 0.025 0.000 0.805 412 A HN 0.042 nan 8.150 nan 0.000 0.460 413 L N 0.236 121.508 121.223 0.082 0.000 2.472 413 L HA 0.240 4.668 4.340 0.147 0.000 0.260 413 L C 0.818 177.728 176.870 0.067 0.000 1.209 413 L CA 0.111 55.013 54.840 0.102 0.000 0.817 413 L CB 0.615 42.739 42.059 0.107 0.000 1.106 413 L HN 0.130 nan 8.230 nan 0.000 0.479 414 S N 0.948 116.690 115.700 0.071 0.000 2.576 414 S HA 0.226 4.784 4.470 0.147 0.000 0.276 414 S C 0.068 174.693 174.600 0.042 0.000 1.339 414 S CA -0.530 57.699 58.200 0.049 0.000 1.039 414 S CB 0.107 63.337 63.200 0.050 0.000 0.902 414 S HN 0.576 nan 8.310 nan 0.000 0.516 415 N N 0.871 119.590 118.700 0.032 0.000 2.445 415 N HA 0.306 5.134 4.740 0.147 0.000 0.264 415 N C 0.289 175.815 175.510 0.026 0.000 1.227 415 N CA -0.317 52.750 53.050 0.028 0.000 0.963 415 N CB 0.304 38.804 38.487 0.022 0.000 1.188 415 N HN 0.549 nan 8.380 nan 0.000 0.491 416 M N 0.000 119.613 119.600 0.022 0.000 2.572 416 M HA 0.000 4.568 4.480 0.147 0.000 0.227 416 M CA 0.000 55.312 55.300 0.020 0.000 0.988 416 M CB 0.000 32.609 32.600 0.015 0.000 1.302 416 M HN 0.000 nan 8.290 nan 0.000 0.411