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 3cfs_1_B DATA FIRST_RESID 7 DATA SEQUENCE FEDTVEERVI NEEYKIWKKN TPFLYDLVMT HALQWPSLTV QWLPEVTKPE DATA SEQUENCE GKDYALHWLV LGTHTSDEQN HLVVARVHIP NDDXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXTGKIEC EIKINHEGEV NRARYMPQNP HIIATKTPSS DVLVFDYTKH DATA SEQUENCE PAKPDPSGEC NPDLRLRGHQ KEGYGLSWNS NLSGHLLSAS DDHTVCLWDI DATA SEQUENCE NAGPKEGKIV DAKAIFTGHS AVVEDVAWHL LHESLFGSVA DDQKLMIWDT DATA SEQUENCE RSNTTSKPSH LVDAHTAEVN CLSFNPYSEF ILATGSADKT VALWDLRNLK DATA SEQUENCE LKLHTFESHK DEIFQVHWSP HNETILASSG TDRRLNVWDL SKIGEEQSAE DATA SEQUENCE DAEDGPPELL FIHGGHTAKI SDFSWNPNEP WVICSVSEDN IMQIWQMAEN DATA SEQUENCE IYND VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 F HA 0.000 nan 4.527 nan 0.000 0.279 7 F C 0.000 175.800 175.800 0.000 0.000 0.967 7 F CA 0.000 58.001 58.000 0.002 0.000 1.383 7 F CB 0.000 39.002 39.000 0.004 0.000 1.145 8 E N 2.299 122.566 120.200 0.112 0.000 2.301 8 E HA 0.264 3.860 4.350 -1.256 0.000 0.275 8 E C -0.940 175.683 176.600 0.039 0.000 1.030 8 E CA -0.573 55.879 56.400 0.088 0.000 0.852 8 E CB 1.585 31.322 29.700 0.063 0.000 1.060 8 E HN 0.049 nan 8.360 nan 0.000 0.401 9 D N 3.361 123.784 120.400 0.038 0.000 2.428 9 D HA 0.023 3.909 4.640 -1.256 0.000 0.221 9 D C 0.907 177.215 176.300 0.012 0.000 1.123 9 D CA -0.315 53.698 54.000 0.022 0.000 0.869 9 D CB 1.311 42.125 40.800 0.025 0.000 1.032 9 D HN 0.621 nan 8.370 nan 0.000 0.506 10 T N 0.137 114.693 114.554 0.004 0.000 2.881 10 T HA -0.119 3.477 4.350 -1.256 0.000 0.270 10 T C 1.894 176.595 174.700 0.002 0.000 1.068 10 T CA 0.816 62.916 62.100 0.000 0.000 1.131 10 T CB -0.100 68.765 68.868 -0.005 0.000 0.871 10 T HN 0.177 nan 8.240 nan 0.000 0.479 11 V N 1.572 121.488 119.914 0.004 0.000 2.255 11 V HA -0.086 3.281 4.120 -1.256 0.000 0.243 11 V C 2.773 178.871 176.094 0.006 0.000 1.038 11 V CA 1.955 64.257 62.300 0.005 0.000 1.008 11 V CB -0.721 31.105 31.823 0.006 0.000 0.645 11 V HN 0.527 nan 8.190 nan 0.000 0.449 12 E N -0.067 120.138 120.200 0.008 0.000 2.160 12 E HA -0.297 3.300 4.350 -1.256 0.000 0.195 12 E C 2.239 178.842 176.600 0.005 0.000 0.991 12 E CA 1.510 57.915 56.400 0.009 0.000 0.810 12 E CB -0.029 29.678 29.700 0.012 0.000 0.742 12 E HN 0.698 nan 8.360 nan 0.000 0.466 13 E N 0.276 120.478 120.200 0.004 0.000 2.110 13 E HA -0.207 3.389 4.350 -1.256 0.000 0.193 13 E C 2.147 178.746 176.600 -0.002 0.000 0.988 13 E CA 0.796 57.194 56.400 -0.002 0.000 0.804 13 E CB 0.110 29.808 29.700 -0.003 0.000 0.745 13 E HN 0.155 nan 8.360 nan 0.000 0.458 14 R N -0.109 120.393 120.500 0.003 0.000 2.075 14 R HA -0.103 3.483 4.340 -1.256 0.000 0.232 14 R C 2.437 178.745 176.300 0.013 0.000 1.126 14 R CA 1.317 57.421 56.100 0.007 0.000 0.963 14 R CB -0.148 30.156 30.300 0.006 0.000 0.858 14 R HN 0.131 nan 8.270 nan 0.000 0.435 15 V N 1.283 121.203 119.914 0.011 0.000 2.343 15 V HA -0.240 3.127 4.120 -1.256 0.000 0.247 15 V C 2.249 178.354 176.094 0.018 0.000 1.051 15 V CA 1.691 63.999 62.300 0.013 0.000 1.036 15 V CB -0.375 31.454 31.823 0.009 0.000 0.654 15 V HN 0.269 nan 8.190 nan 0.000 0.451 16 I N 0.462 121.039 120.570 0.012 0.000 2.179 16 I HA -0.217 3.199 4.170 -1.256 0.000 0.242 16 I C 2.398 178.538 176.117 0.039 0.000 1.088 16 I CA 1.499 62.806 61.300 0.012 0.000 1.357 16 I CB -0.504 37.489 38.000 -0.011 0.000 1.051 16 I HN 0.339 nan 8.210 nan 0.000 0.409 17 N N 0.555 119.272 118.700 0.027 0.000 2.166 17 N HA -0.164 3.822 4.740 -1.256 0.000 0.186 17 N C 1.761 177.340 175.510 0.116 0.000 1.019 17 N CA 1.122 54.203 53.050 0.053 0.000 0.856 17 N CB -0.242 38.254 38.487 0.015 0.000 0.993 17 N HN 0.334 nan 8.380 nan 0.000 0.426 18 E N 0.972 121.218 120.200 0.076 0.000 2.107 18 E HA -0.079 3.517 4.350 -1.256 0.000 0.191 18 E C 1.616 178.265 176.600 0.081 0.000 0.982 18 E CA 0.552 56.996 56.400 0.072 0.000 0.809 18 E CB -0.079 29.646 29.700 0.041 0.000 0.756 18 E HN 0.539 nan 8.360 nan 0.000 0.459 19 E N -0.131 120.116 120.200 0.078 0.000 2.150 19 E HA -0.170 3.427 4.350 -1.256 0.000 0.193 19 E C 1.876 178.548 176.600 0.120 0.000 0.985 19 E CA 0.566 57.008 56.400 0.071 0.000 0.814 19 E CB -0.168 29.555 29.700 0.039 0.000 0.752 19 E HN 0.247 nan 8.360 nan 0.000 0.466 20 Y N 2.017 122.334 120.300 0.029 0.000 2.200 20 Y HA -0.192 3.604 4.550 -1.256 0.000 0.290 20 Y C 1.892 177.892 175.900 0.167 0.000 1.137 20 Y CA 1.570 59.712 58.100 0.070 0.000 1.163 20 Y CB 0.130 38.587 38.460 -0.006 0.000 0.988 20 Y HN -0.186 nan 8.280 nan 0.000 0.518 21 K N 0.103 120.612 120.400 0.181 0.000 2.103 21 K HA -0.193 3.373 4.320 -1.256 0.000 0.207 21 K C 1.999 178.596 176.600 -0.004 0.000 1.048 21 K CA 2.006 58.341 56.287 0.081 0.000 0.930 21 K CB -0.299 32.262 32.500 0.102 0.000 0.716 21 K HN 0.413 nan 8.250 nan 0.000 0.444 22 I N -0.660 119.925 120.570 0.024 0.000 2.252 22 I HA -0.239 3.177 4.170 -1.256 0.000 0.245 22 I C 2.317 178.430 176.117 -0.007 0.000 1.102 22 I CA 0.983 62.286 61.300 0.006 0.000 1.385 22 I CB -0.279 37.732 38.000 0.018 0.000 1.064 22 I HN 0.344 nan 8.210 nan 0.000 0.414 23 W N 2.532 123.717 121.300 -0.191 0.000 2.338 23 W HA -0.260 3.648 4.660 -1.253 0.000 0.304 23 W C 2.556 178.927 176.519 -0.246 0.000 1.212 23 W CA 1.781 58.994 57.345 -0.220 0.000 1.264 23 W CB -0.108 29.173 29.460 -0.299 0.000 1.142 23 W HN -0.096 nan 8.180 nan 0.000 0.512 24 K N 0.928 121.128 120.400 -0.335 0.000 2.032 24 K HA -0.254 3.312 4.320 -1.256 0.000 0.209 24 K C 2.101 178.451 176.600 -0.417 0.000 1.048 24 K CA 2.286 58.252 56.287 -0.535 0.000 0.927 24 K CB -0.399 31.903 32.500 -0.330 0.000 0.712 24 K HN 0.311 nan 8.250 nan 0.000 0.441 25 K N -0.758 119.504 120.400 -0.230 0.000 2.432 25 K HA -0.038 3.529 4.320 -1.256 0.000 0.196 25 K C 0.986 177.541 176.600 -0.075 0.000 1.038 25 K CA 1.295 57.504 56.287 -0.131 0.000 0.986 25 K CB -0.076 32.391 32.500 -0.055 0.000 0.782 25 K HN 0.208 nan 8.250 nan 0.000 0.485 26 N N 1.149 119.774 118.700 -0.125 0.000 2.412 26 N HA -0.060 3.926 4.740 -1.256 0.000 0.184 26 N C 1.160 176.670 175.510 0.000 0.000 1.101 26 N CA 0.778 53.857 53.050 0.049 0.000 0.881 26 N CB 0.216 38.669 38.487 -0.058 0.000 0.969 26 N HN 0.375 nan 8.380 nan 0.000 0.459 27 T N -0.453 113.928 114.554 -0.290 0.000 2.759 27 T HA -0.050 3.547 4.350 -1.256 0.000 0.269 27 T C -1.005 173.694 174.700 -0.002 0.000 1.042 27 T CA 0.739 62.701 62.100 -0.229 0.000 1.140 27 T CB -1.359 67.141 68.868 -0.613 0.000 0.864 27 T HN 0.090 nan 8.240 nan 0.000 0.455 28 P HA 0.052 nan 4.420 nan 0.000 0.220 28 P C 0.891 178.082 177.300 -0.181 0.000 1.148 28 P CA 0.691 63.690 63.100 -0.169 0.000 0.803 28 P CB -0.294 31.224 31.700 -0.303 0.000 0.782 29 F N -1.158 118.762 119.950 -0.050 0.000 2.163 29 F HA -0.035 3.737 4.527 -1.257 0.000 0.297 29 F C 2.111 177.886 175.800 -0.042 0.000 1.094 29 F CA 1.277 59.247 58.000 -0.051 0.000 1.290 29 F CB -0.844 38.118 39.000 -0.064 0.000 1.017 29 F HN -0.195 nan 8.300 nan 0.000 0.483 30 L N -2.680 118.643 121.223 0.167 0.000 2.556 30 L HA 0.111 3.697 4.340 -1.256 0.000 0.226 30 L C -0.721 176.033 176.870 -0.192 0.000 1.089 30 L CA 0.103 54.956 54.840 0.020 0.000 0.864 30 L CB -0.001 42.048 42.059 -0.017 0.000 1.067 30 L HN -0.020 nan 8.230 nan 0.000 0.477 31 Y N -1.007 119.348 120.300 0.091 0.000 2.425 31 Y HA 0.230 4.026 4.550 -1.257 0.000 0.344 31 Y C 0.555 176.482 175.900 0.044 0.000 0.969 31 Y CA -0.939 57.220 58.100 0.099 0.000 1.052 31 Y CB 1.489 40.030 38.460 0.135 0.000 1.215 31 Y HN -0.178 nan 8.280 nan 0.000 0.451 32 D N 1.371 121.887 120.400 0.193 0.000 2.249 32 D HA 0.044 3.930 4.640 -1.256 0.000 0.205 32 D C -0.520 175.870 176.300 0.150 0.000 0.962 32 D CA 1.150 55.223 54.000 0.122 0.000 0.860 32 D CB 0.532 41.385 40.800 0.088 0.000 0.955 32 D HN 0.281 nan 8.370 nan 0.000 0.505 33 L N 0.023 121.386 121.223 0.235 0.000 2.526 33 L HA 0.380 3.966 4.340 -1.256 0.000 0.263 33 L C -1.832 175.187 176.870 0.249 0.000 0.943 33 L CA -0.641 54.318 54.840 0.198 0.000 0.859 33 L CB 2.388 44.546 42.059 0.166 0.000 1.313 33 L HN -0.307 nan 8.230 nan 0.000 0.406 34 V N 5.550 125.549 119.914 0.141 0.000 2.532 34 V HA 0.555 3.922 4.120 -1.256 0.000 0.294 34 V C -0.458 175.704 176.094 0.114 0.000 1.036 34 V CA -0.465 61.899 62.300 0.107 0.000 0.876 34 V CB 1.548 33.317 31.823 -0.091 0.000 1.012 34 V HN 0.783 nan 8.190 nan 0.000 0.432 35 M N 4.064 123.761 119.600 0.161 0.000 2.321 35 M HA 0.653 4.380 4.480 -1.256 0.000 0.315 35 M C -0.301 176.094 176.300 0.159 0.000 1.052 35 M CA -0.422 54.958 55.300 0.133 0.000 0.936 35 M CB 2.420 35.088 32.600 0.114 0.000 1.639 35 M HN 0.707 nan 8.290 nan 0.000 0.433 36 T N -0.933 113.707 114.554 0.142 0.000 2.824 36 T HA 0.614 4.210 4.350 -1.256 0.000 0.282 36 T C -1.366 173.430 174.700 0.160 0.000 0.993 36 T CA -0.582 61.605 62.100 0.145 0.000 0.967 36 T CB 1.493 70.437 68.868 0.128 0.000 0.960 36 T HN 0.813 nan 8.240 nan 0.000 0.441 37 H N 1.934 121.027 119.070 0.038 0.000 2.667 37 H HA 0.679 4.480 4.556 -1.258 0.000 0.353 37 H C -0.779 174.552 175.328 0.006 0.000 1.072 37 H CA -0.214 55.840 56.048 0.010 0.000 1.214 37 H CB 1.694 31.453 29.762 -0.005 0.000 1.600 37 H HN 1.061 nan 8.280 nan 0.000 0.527 38 A N 6.057 128.545 122.820 -0.553 0.000 2.260 38 A HA 0.500 4.066 4.320 -1.256 0.000 0.308 38 A C -0.698 176.563 177.584 -0.539 0.000 1.254 38 A CA -0.633 51.164 52.037 -0.400 0.000 0.874 38 A CB -0.105 18.734 19.000 -0.269 0.000 1.153 38 A HN 0.669 nan 8.150 nan 0.000 0.527 39 L N 1.667 122.746 121.223 -0.241 0.000 2.421 39 L HA 0.292 3.878 4.340 -1.256 0.000 0.263 39 L C 1.855 178.617 176.870 -0.180 0.000 1.122 39 L CA -0.480 54.283 54.840 -0.129 0.000 0.804 39 L CB 0.699 42.773 42.059 0.026 0.000 1.150 39 L HN 0.964 nan 8.230 nan 0.000 0.457 40 Q N 0.908 120.566 119.800 -0.236 0.000 2.124 40 Q HA -0.097 3.489 4.340 -1.256 0.000 0.202 40 Q C -0.566 175.039 176.000 -0.659 0.000 0.977 40 Q CA 1.594 57.091 55.803 -0.511 0.000 0.850 40 Q CB 0.223 28.585 28.738 -0.626 0.000 0.901 40 Q HN 0.590 nan 8.270 nan 0.000 0.429 41 W N 0.421 121.717 121.300 -0.006 0.000 2.761 41 W HA 0.427 4.339 4.660 -1.248 0.000 0.340 41 W C -2.198 174.325 176.519 0.007 0.000 1.072 41 W CA -2.753 54.589 57.345 -0.006 0.000 1.215 41 W CB 1.040 30.505 29.460 0.009 0.000 1.420 41 W HN -0.032 nan 8.180 nan 0.000 0.519 42 P HA 0.044 nan 4.420 nan 0.000 0.272 42 P C -0.492 176.917 177.300 0.182 0.000 1.223 42 P CA 0.000 63.208 63.100 0.179 0.000 0.784 42 P CB 1.614 33.409 31.700 0.159 0.000 0.923 43 S N 1.360 117.131 115.700 0.117 0.000 2.475 43 S HA 0.348 4.065 4.470 -1.256 0.000 0.298 43 S C 1.022 175.651 174.600 0.048 0.000 1.119 43 S CA -0.775 57.473 58.200 0.081 0.000 1.085 43 S CB 0.006 63.240 63.200 0.058 0.000 1.028 43 S HN 0.313 nan 8.310 nan 0.000 0.489 44 L N 3.326 124.561 121.223 0.020 0.000 2.592 44 L HA 0.272 3.858 4.340 -1.256 0.000 0.227 44 L C 0.994 177.880 176.870 0.027 0.000 1.127 44 L CA 0.179 55.019 54.840 0.001 0.000 0.884 44 L CB 0.340 42.380 42.059 -0.032 0.000 1.065 44 L HN 0.592 nan 8.230 nan 0.000 0.457 45 T N 0.278 114.847 114.554 0.025 0.000 2.933 45 T HA 0.613 4.210 4.350 -1.256 0.000 0.305 45 T C -1.192 173.520 174.700 0.019 0.000 1.092 45 T CA -0.492 61.628 62.100 0.034 0.000 1.008 45 T CB 1.612 70.499 68.868 0.032 0.000 1.102 45 T HN -0.128 nan 8.240 nan 0.000 0.469 46 V N 2.325 122.249 119.914 0.017 0.000 2.888 46 V HA 0.821 4.187 4.120 -1.256 0.000 0.309 46 V C -1.100 174.986 176.094 -0.013 0.000 1.114 46 V CA -0.873 61.410 62.300 -0.028 0.000 0.940 46 V CB 1.803 33.585 31.823 -0.069 0.000 1.021 46 V HN 0.980 nan 8.190 nan 0.000 0.426 47 Q N 1.928 121.721 119.800 -0.012 0.000 2.313 47 Q HA 0.396 3.982 4.340 -1.256 0.000 0.260 47 Q C -2.031 174.048 176.000 0.132 0.000 0.972 47 Q CA -0.507 55.356 55.803 0.100 0.000 0.886 47 Q CB 2.057 30.919 28.738 0.206 0.000 1.373 47 Q HN 0.838 nan 8.270 nan 0.000 0.416 48 W N 3.287 124.696 121.300 0.181 0.000 2.210 48 W HA 0.174 4.083 4.660 -1.252 0.000 0.330 48 W C 0.142 176.782 176.519 0.201 0.000 1.334 48 W CA -0.329 57.131 57.345 0.193 0.000 1.227 48 W CB 0.319 29.890 29.460 0.184 0.000 1.178 48 W HN 0.423 nan 8.180 nan 0.000 0.560 49 L N 6.690 128.126 121.223 0.355 0.000 2.452 49 L HA 0.097 3.683 4.340 -1.256 0.000 0.267 49 L C -0.726 176.201 176.870 0.096 0.000 1.188 49 L CA -2.339 52.521 54.840 0.034 0.000 0.821 49 L CB 0.255 42.355 42.059 0.068 0.000 1.102 49 L HN 0.294 nan 8.230 nan 0.000 0.470 50 P HA -0.067 nan 4.420 nan 0.000 0.226 50 P C -0.225 177.106 177.300 0.053 0.000 1.153 50 P CA 0.532 63.631 63.100 -0.002 0.000 0.777 50 P CB 0.372 32.025 31.700 -0.078 0.000 0.794 51 E N -0.185 120.053 120.200 0.063 0.000 2.331 51 E HA 0.372 3.968 4.350 -1.256 0.000 0.272 51 E C -0.448 176.310 176.600 0.264 0.000 1.036 51 E CA -0.366 56.094 56.400 0.099 0.000 0.864 51 E CB 1.252 30.909 29.700 -0.070 0.000 1.035 51 E HN -0.176 nan 8.360 nan 0.000 0.408 52 V N 2.078 122.084 119.914 0.154 0.000 3.012 52 V HA 0.692 4.058 4.120 -1.256 0.000 0.307 52 V C -1.329 174.795 176.094 0.050 0.000 1.166 52 V CA -0.241 62.059 62.300 0.000 0.000 0.974 52 V CB 2.483 34.144 31.823 -0.271 0.000 1.040 52 V HN 0.710 nan 8.190 nan 0.000 0.428 53 T N 5.041 119.605 114.554 0.017 0.000 2.956 53 T HA 0.506 4.102 4.350 -1.256 0.000 0.312 53 T C -1.469 173.215 174.700 -0.027 0.000 1.151 53 T CA -0.638 61.481 62.100 0.032 0.000 1.024 53 T CB 1.520 70.460 68.868 0.121 0.000 1.140 53 T HN 0.737 nan 8.240 nan 0.000 0.473 54 K N 4.694 125.074 120.400 -0.033 0.000 2.354 54 K HA 0.404 3.970 4.320 -1.256 0.000 0.257 54 K C -2.520 174.026 176.600 -0.090 0.000 1.062 54 K CA -1.709 54.538 56.287 -0.068 0.000 0.971 54 K CB 1.127 33.596 32.500 -0.051 0.000 1.305 54 K HN 0.394 nan 8.250 nan 0.000 0.449 55 P HA -0.026 nan 4.420 nan 0.000 0.271 55 P C -0.440 176.771 177.300 -0.148 0.000 1.216 55 P CA -0.326 62.696 63.100 -0.130 0.000 0.771 55 P CB 0.548 32.144 31.700 -0.173 0.000 0.864 56 E N 2.044 122.191 120.200 -0.088 0.000 2.480 56 E HA 0.200 3.796 4.350 -1.256 0.000 0.258 56 E C 0.979 177.525 176.600 -0.091 0.000 0.984 56 E CA 0.704 57.059 56.400 -0.076 0.000 0.930 56 E CB -0.528 29.146 29.700 -0.043 0.000 0.936 56 E HN 0.773 nan 8.360 nan 0.000 0.466 57 G N 3.723 112.468 108.800 -0.092 0.000 2.143 57 G HA2 -0.221 2.985 3.960 -1.256 0.000 0.249 57 G HA3 -0.221 2.985 3.960 -1.256 0.000 0.249 57 G C -0.184 174.639 174.900 -0.129 0.000 0.981 57 G CA 0.272 45.321 45.100 -0.084 0.000 0.665 57 G HN 0.444 nan 8.290 nan 0.000 0.528 58 K N 0.304 120.568 120.400 -0.227 0.000 2.221 58 K HA 0.523 4.089 4.320 -1.256 0.000 0.243 58 K C 0.131 176.531 176.600 -0.333 0.000 0.968 58 K CA -0.252 55.795 56.287 -0.399 0.000 0.846 58 K CB 1.486 33.466 32.500 -0.867 0.000 1.141 58 K HN 0.181 nan 8.250 nan 0.000 0.434 59 D N -0.658 119.580 120.400 -0.271 0.000 2.424 59 D HA 0.064 3.950 4.640 -1.256 0.000 0.220 59 D C -0.038 176.268 176.300 0.010 0.000 1.150 59 D CA -0.093 53.859 54.000 -0.079 0.000 0.831 59 D CB -0.433 40.384 40.800 0.028 0.000 0.981 59 D HN 0.430 nan 8.370 nan 0.000 0.500 60 Y N -1.672 118.616 120.300 -0.020 0.000 2.609 60 Y HA 0.818 4.615 4.550 -1.256 0.000 0.342 60 Y C -1.043 174.825 175.900 -0.053 0.000 1.058 60 Y CA -2.336 55.751 58.100 -0.022 0.000 1.055 60 Y CB 0.957 39.402 38.460 -0.025 0.000 1.292 60 Y HN -0.025 nan 8.280 nan 0.000 0.476 61 A N 1.914 124.874 122.820 0.233 0.000 2.325 61 A HA 0.719 4.285 4.320 -1.256 0.000 0.333 61 A C -1.640 176.041 177.584 0.161 0.000 1.155 61 A CA -0.727 51.394 52.037 0.140 0.000 0.814 61 A CB 0.992 20.087 19.000 0.157 0.000 1.206 61 A HN 0.642 nan 8.150 nan 0.000 0.482 62 L N 3.155 124.342 121.223 -0.059 0.000 2.276 62 L HA 0.417 4.003 4.340 -1.256 0.000 0.286 62 L C 0.162 176.707 176.870 -0.542 0.000 1.061 62 L CA 0.511 55.161 54.840 -0.316 0.000 0.807 62 L CB 0.274 42.086 42.059 -0.412 0.000 1.177 62 L HN 0.720 nan 8.230 nan 0.000 0.429 63 H N 2.943 121.731 119.070 -0.470 0.000 2.834 63 H HA 0.443 4.245 4.556 -1.257 0.000 0.369 63 H C -1.269 173.866 175.328 -0.322 0.000 1.174 63 H CA -0.655 55.316 56.048 -0.129 0.000 1.165 63 H CB 2.217 32.141 29.762 0.270 0.000 1.820 63 H HN 0.460 nan 8.280 nan 0.000 0.558 64 W N 1.586 123.113 121.300 0.378 0.000 2.883 64 W HA 0.311 4.215 4.660 -1.260 0.000 0.335 64 W C -1.221 175.371 176.519 0.122 0.000 1.083 64 W CA -0.534 56.917 57.345 0.177 0.000 1.233 64 W CB 2.402 31.910 29.460 0.081 0.000 1.412 64 W HN 0.140 nan 8.180 nan 0.000 0.490 65 L N 2.880 124.183 121.223 0.133 0.000 2.346 65 L HA 0.474 4.060 4.340 -1.256 0.000 0.276 65 L C -0.144 176.731 176.870 0.007 0.000 1.006 65 L CA -1.114 53.676 54.840 -0.082 0.000 0.817 65 L CB 1.567 43.437 42.059 -0.316 0.000 1.272 65 L HN 0.010 nan 8.230 nan 0.000 0.421 66 V N 5.015 124.946 119.914 0.027 0.000 2.385 66 V HA 0.434 3.800 4.120 -1.256 0.000 0.269 66 V C 0.421 176.517 176.094 0.004 0.000 1.043 66 V CA -0.309 62.020 62.300 0.048 0.000 0.906 66 V CB 1.354 33.259 31.823 0.137 0.000 0.995 66 V HN 0.521 nan 8.190 nan 0.000 0.467 67 L N 3.616 124.832 121.223 -0.012 0.000 2.271 67 L HA 0.980 4.566 4.340 -1.256 0.000 0.265 67 L C 0.684 177.540 176.870 -0.023 0.000 1.013 67 L CA -0.444 54.386 54.840 -0.017 0.000 0.820 67 L CB 2.229 44.280 42.059 -0.014 0.000 1.352 67 L HN 0.734 nan 8.230 nan 0.000 0.443 68 G N -0.923 107.865 108.800 -0.019 0.000 3.015 68 G HA2 0.668 3.874 3.960 -1.256 0.000 0.281 68 G HA3 0.668 3.874 3.960 -1.256 0.000 0.281 68 G C -1.528 173.377 174.900 0.008 0.000 1.386 68 G CA -0.276 44.791 45.100 -0.055 0.000 0.959 68 G HN 0.369 nan 8.290 nan 0.000 0.522 69 T N -0.754 113.794 114.554 -0.011 0.000 2.893 69 T HA 0.521 4.118 4.350 -1.256 0.000 0.291 69 T C -1.494 173.238 174.700 0.053 0.000 1.028 69 T CA -0.262 61.877 62.100 0.066 0.000 0.995 69 T CB 1.484 70.395 68.868 0.072 0.000 1.051 69 T HN 0.583 nan 8.240 nan 0.000 0.470 70 H N 1.588 120.621 119.070 -0.061 0.000 2.854 70 H HA 0.517 4.342 4.556 -1.217 0.000 0.275 70 H C -1.136 174.040 175.328 -0.253 0.000 1.198 70 H CA -0.426 55.551 56.048 -0.119 0.000 1.489 70 H CB 0.077 29.811 29.762 -0.047 0.000 1.519 70 H HN 0.497 nan 8.280 nan 0.000 0.503 71 T N 2.355 116.639 114.554 -0.450 0.000 2.848 71 T HA 0.207 3.803 4.350 -1.256 0.000 0.285 71 T C 1.056 175.499 174.700 -0.428 0.000 0.995 71 T CA -0.295 61.359 62.100 -0.744 0.000 0.970 71 T CB 1.626 69.736 68.868 -1.264 0.000 0.976 71 T HN 0.525 nan 8.240 nan 0.000 0.441 72 S N 0.941 116.417 115.700 -0.372 0.000 2.478 72 S HA 0.013 3.729 4.470 -1.256 0.000 0.222 72 S C 0.796 175.295 174.600 -0.167 0.000 1.008 72 S CA 0.445 58.526 58.200 -0.198 0.000 0.928 72 S CB -0.008 63.105 63.200 -0.146 0.000 0.781 72 S HN 0.553 nan 8.310 nan 0.000 0.518 73 D N 1.347 121.618 120.400 -0.215 0.000 2.431 73 D HA 0.272 4.158 4.640 -1.256 0.000 0.235 73 D C 0.889 177.104 176.300 -0.141 0.000 0.980 73 D CA 0.689 54.607 54.000 -0.137 0.000 0.912 73 D CB 0.244 40.993 40.800 -0.084 0.000 1.056 73 D HN 0.596 nan 8.370 nan 0.000 0.494 74 E N 0.030 120.088 120.200 -0.237 0.000 2.469 74 E HA 0.324 3.920 4.350 -1.256 0.000 0.246 74 E C -0.434 176.045 176.600 -0.201 0.000 0.969 74 E CA -0.832 55.468 56.400 -0.168 0.000 0.881 74 E CB 0.729 30.376 29.700 -0.089 0.000 1.320 74 E HN -0.249 nan 8.360 nan 0.000 0.421 75 Q N 1.651 121.376 119.800 -0.125 0.000 2.297 75 Q HA 0.082 3.668 4.340 -1.256 0.000 0.267 75 Q C -0.899 174.926 176.000 -0.292 0.000 1.006 75 Q CA 0.256 55.952 55.803 -0.178 0.000 0.896 75 Q CB 0.320 28.990 28.738 -0.113 0.000 1.186 75 Q HN 0.269 nan 8.270 nan 0.000 0.392 76 N N 2.998 121.506 118.700 -0.320 0.000 2.495 76 N HA 0.325 4.311 4.740 -1.256 0.000 0.280 76 N C -0.975 174.279 175.510 -0.426 0.000 1.168 76 N CA -0.317 52.572 53.050 -0.269 0.000 0.978 76 N CB 0.812 39.235 38.487 -0.107 0.000 1.191 76 N HN 0.617 nan 8.380 nan 0.000 0.497 77 H N -0.357 118.705 119.070 -0.014 0.000 2.894 77 H HA 0.334 4.137 4.556 -1.255 0.000 0.367 77 H C -0.853 174.396 175.328 -0.132 0.000 1.144 77 H CA -0.758 55.268 56.048 -0.036 0.000 1.180 77 H CB 1.940 31.697 29.762 -0.007 0.000 1.758 77 H HN 0.252 nan 8.280 nan 0.000 0.541 78 L N 3.415 124.594 121.223 -0.074 0.000 2.265 78 L HA 0.475 4.061 4.340 -1.256 0.000 0.288 78 L C -0.907 175.904 176.870 -0.098 0.000 1.058 78 L CA -0.389 54.343 54.840 -0.180 0.000 0.809 78 L CB 0.622 42.467 42.059 -0.357 0.000 1.179 78 L HN 0.493 nan 8.230 nan 0.000 0.429 79 V N 6.568 126.443 119.914 -0.064 0.000 2.540 79 V HA 0.653 4.019 4.120 -1.256 0.000 0.302 79 V C -1.056 175.006 176.094 -0.054 0.000 1.035 79 V CA -0.479 61.789 62.300 -0.053 0.000 0.873 79 V CB 2.166 33.977 31.823 -0.021 0.000 0.992 79 V HN 0.509 nan 8.190 nan 0.000 0.428 80 V N 6.868 126.733 119.914 -0.081 0.000 2.347 80 V HA 0.794 4.160 4.120 -1.256 0.000 0.280 80 V C 0.625 176.722 176.094 0.005 0.000 1.021 80 V CA 0.102 62.367 62.300 -0.059 0.000 0.847 80 V CB 1.105 32.807 31.823 -0.203 0.000 0.990 80 V HN 1.210 nan 8.190 nan 0.000 0.444 81 A N 5.445 128.284 122.820 0.032 0.000 2.305 81 A HA 0.770 4.336 4.320 -1.256 0.000 0.322 81 A C -0.043 177.558 177.584 0.027 0.000 1.187 81 A CA -0.715 51.324 52.037 0.004 0.000 0.825 81 A CB 0.749 19.709 19.000 -0.067 0.000 1.164 81 A HN 0.830 nan 8.150 nan 0.000 0.498 82 R N 1.570 122.045 120.500 -0.043 0.000 2.312 82 R HA 0.572 4.158 4.340 -1.256 0.000 0.311 82 R C -0.897 175.267 176.300 -0.226 0.000 1.004 82 R CA -0.280 55.654 56.100 -0.278 0.000 0.902 82 R CB 0.966 31.187 30.300 -0.132 0.000 1.073 82 R HN 0.773 nan 8.270 nan 0.000 0.457 83 V N 0.707 120.476 119.914 -0.241 0.000 2.735 83 V HA 0.465 3.832 4.120 -1.256 0.000 0.310 83 V C -0.708 175.421 176.094 0.057 0.000 1.061 83 V CA -0.878 61.374 62.300 -0.079 0.000 0.913 83 V CB 1.824 33.627 31.823 -0.033 0.000 1.005 83 V HN 0.848 nan 8.190 nan 0.000 0.428 84 H N 4.214 123.161 119.070 -0.206 0.000 2.604 84 H HA 0.554 4.356 4.556 -1.257 0.000 0.306 84 H C -0.730 174.574 175.328 -0.039 0.000 1.075 84 H CA -0.605 55.315 56.048 -0.213 0.000 1.357 84 H CB 1.884 31.313 29.762 -0.555 0.000 1.426 84 H HN 0.578 nan 8.280 nan 0.000 0.470 85 I N 6.069 126.753 120.570 0.190 0.000 2.359 85 I HA 0.178 3.594 4.170 -1.256 0.000 0.284 85 I C -2.299 173.922 176.117 0.174 0.000 1.018 85 I CA -2.250 59.133 61.300 0.139 0.000 1.173 85 I CB 1.451 39.472 38.000 0.036 0.000 1.326 85 I HN 0.304 nan 8.210 nan 0.000 0.462 86 P HA -0.001 nan 4.420 nan 0.000 0.264 86 P C -0.561 176.808 177.300 0.116 0.000 1.183 86 P CA 0.297 63.487 63.100 0.151 0.000 0.763 86 P CB 0.283 32.049 31.700 0.109 0.000 0.807 87 N N 1.671 120.434 118.700 0.105 0.000 2.415 87 N HA -0.016 3.970 4.740 -1.256 0.000 0.248 87 N C 0.160 175.704 175.510 0.055 0.000 1.271 87 N CA -0.184 52.907 53.050 0.068 0.000 0.913 87 N CB 0.097 38.609 38.487 0.042 0.000 1.129 87 N HN 0.397 nan 8.380 nan 0.000 0.444 88 D N 0.045 120.471 120.400 0.044 0.000 2.355 88 D HA -0.015 3.871 4.640 -1.256 0.000 0.253 88 D C -0.442 175.874 176.300 0.027 0.000 1.187 88 D CA 0.820 54.842 54.000 0.036 0.000 0.900 88 D CB -0.170 40.650 40.800 0.033 0.000 0.915 88 D HN 0.416 nan 8.370 nan 0.000 0.516 112 G N 1.508 110.304 108.800 -0.008 0.000 2.796 112 G HA2 0.240 3.446 3.960 -1.256 0.000 0.571 112 G HA3 0.240 3.446 3.960 -1.256 0.000 0.571 112 G C -0.869 173.933 174.900 -0.163 0.000 1.370 112 G CA -0.226 44.846 45.100 -0.047 0.000 0.856 112 G HN 1.205 nan 8.290 nan 0.000 0.538 113 K N -1.009 119.227 120.400 -0.274 0.000 2.589 113 K HA 0.582 4.148 4.320 -1.256 0.000 0.265 113 K C -1.524 174.813 176.600 -0.437 0.000 0.935 113 K CA -0.821 55.197 56.287 -0.448 0.000 0.850 113 K CB 1.663 33.674 32.500 -0.815 0.000 1.372 113 K HN 1.116 nan 8.250 nan 0.000 0.420 114 I N 3.039 123.369 120.570 -0.401 0.000 2.498 114 I HA 0.434 3.850 4.170 -1.256 0.000 0.290 114 I C -1.265 174.672 176.117 -0.299 0.000 1.032 114 I CA -0.259 60.821 61.300 -0.367 0.000 1.073 114 I CB 1.500 39.203 38.000 -0.495 0.000 1.251 114 I HN 0.714 nan 8.210 nan 0.000 0.426 115 E N 5.658 125.736 120.200 -0.204 0.000 2.392 115 E HA 0.290 3.886 4.350 -1.256 0.000 0.269 115 E C -1.600 174.956 176.600 -0.073 0.000 0.924 115 E CA -0.870 55.455 56.400 -0.125 0.000 0.784 115 E CB 2.465 32.112 29.700 -0.089 0.000 1.292 115 E HN 0.556 nan 8.360 nan 0.000 0.447 116 C N 2.005 121.277 119.300 -0.047 0.000 2.349 116 C HA 0.148 3.855 4.460 -1.256 0.000 0.348 116 C C 1.592 176.582 174.990 -0.000 0.000 1.223 116 C CA 0.109 59.109 59.018 -0.031 0.000 1.746 116 C CB -0.646 27.067 27.740 -0.046 0.000 2.360 116 C HN 0.885 nan 8.230 nan 0.000 0.533 117 E N 4.133 124.350 120.200 0.029 0.000 2.016 117 E HA 0.124 3.720 4.350 -1.256 0.000 0.190 117 E C 0.339 176.920 176.600 -0.031 0.000 0.985 117 E CA 1.227 57.658 56.400 0.051 0.000 0.802 117 E CB 0.182 29.957 29.700 0.125 0.000 0.762 117 E HN 0.802 nan 8.360 nan 0.000 0.448 118 I N -0.538 119.981 120.570 -0.086 0.000 2.913 118 I HA 0.324 3.740 4.170 -1.256 0.000 0.302 118 I C -1.630 174.430 176.117 -0.094 0.000 1.246 118 I CA -0.966 60.278 61.300 -0.093 0.000 1.010 118 I CB 1.802 39.723 38.000 -0.132 0.000 1.259 118 I HN -0.159 nan 8.210 nan 0.000 0.434 119 K N 7.237 127.589 120.400 -0.079 0.000 2.507 119 K HA 0.630 4.196 4.320 -1.256 0.000 0.252 119 K C -1.795 174.782 176.600 -0.038 0.000 0.943 119 K CA -0.533 55.693 56.287 -0.102 0.000 0.808 119 K CB 1.645 34.022 32.500 -0.205 0.000 1.142 119 K HN 0.494 nan 8.250 nan 0.000 0.426 120 I N 3.226 123.789 120.570 -0.012 0.000 2.465 120 I HA 0.226 3.642 4.170 -1.256 0.000 0.291 120 I C -0.316 175.840 176.117 0.065 0.000 1.014 120 I CA -1.191 60.085 61.300 -0.040 0.000 1.093 120 I CB 1.808 39.611 38.000 -0.328 0.000 1.267 120 I HN 0.508 nan 8.210 nan 0.000 0.431 121 N N 4.221 122.991 118.700 0.117 0.000 2.359 121 N HA -0.015 3.972 4.740 -1.256 0.000 0.261 121 N C -0.691 174.805 175.510 -0.024 0.000 1.267 121 N CA 0.574 53.638 53.050 0.025 0.000 0.864 121 N CB 0.110 38.627 38.487 0.050 0.000 1.063 121 N HN 0.537 nan 8.380 nan 0.000 0.474 122 H N 0.435 119.394 119.070 -0.185 0.000 2.689 122 H HA 0.193 3.984 4.556 -1.275 0.000 0.346 122 H C -0.835 174.440 175.328 -0.088 0.000 1.037 122 H CA -0.640 55.342 56.048 -0.111 0.000 1.234 122 H CB 0.898 30.568 29.762 -0.154 0.000 1.572 122 H HN 0.230 nan 8.280 nan 0.000 0.524 123 E N 3.499 123.516 120.200 -0.306 0.000 2.265 123 E HA 0.298 3.894 4.350 -1.256 0.000 0.272 123 E C 0.687 177.230 176.600 -0.094 0.000 1.067 123 E CA 1.087 57.380 56.400 -0.179 0.000 0.900 123 E CB 0.489 30.090 29.700 -0.165 0.000 1.017 123 E HN 1.021 nan 8.360 nan 0.000 0.431 124 G N 3.778 112.573 108.800 -0.008 0.000 2.888 124 G HA2 -0.238 2.968 3.960 -1.256 0.000 0.441 124 G HA3 -0.238 2.968 3.960 -1.256 0.000 0.441 124 G C -0.083 174.902 174.900 0.141 0.000 1.461 124 G CA -0.179 44.941 45.100 0.034 0.000 0.897 124 G HN 0.615 nan 8.290 nan 0.000 0.547 125 E N -0.831 119.408 120.200 0.066 0.000 2.404 125 E HA 0.313 3.909 4.350 -1.256 0.000 0.261 125 E C 0.203 176.780 176.600 -0.039 0.000 1.074 125 E CA -0.365 56.050 56.400 0.026 0.000 0.917 125 E CB 1.118 30.858 29.700 0.066 0.000 0.965 125 E HN 0.720 nan 8.360 nan 0.000 0.433 126 V N 3.712 123.508 119.914 -0.197 0.000 2.339 126 V HA -0.033 3.333 4.120 -1.256 0.000 0.261 126 V C 1.103 177.092 176.094 -0.175 0.000 1.058 126 V CA -0.496 61.633 62.300 -0.286 0.000 0.897 126 V CB -0.036 31.537 31.823 -0.418 0.000 1.052 126 V HN 0.545 nan 8.190 nan 0.000 0.480 127 N N 3.368 121.947 118.700 -0.202 0.000 2.069 127 N HA -0.082 3.904 4.740 -1.256 0.000 0.191 127 N C 0.908 176.359 175.510 -0.097 0.000 1.031 127 N CA 1.217 54.077 53.050 -0.318 0.000 0.852 127 N CB -0.008 38.031 38.487 -0.745 0.000 1.018 127 N HN 0.693 nan 8.380 nan 0.000 0.423 128 R N -0.980 119.480 120.500 -0.067 0.000 2.629 128 R HA 0.624 4.210 4.340 -1.256 0.000 0.266 128 R C -2.124 174.201 176.300 0.040 0.000 1.051 128 R CA -0.571 55.548 56.100 0.031 0.000 0.895 128 R CB 1.506 31.856 30.300 0.083 0.000 1.246 128 R HN 0.037 nan 8.270 nan 0.000 0.459 129 A N 3.120 125.986 122.820 0.076 0.000 2.398 129 A HA 0.800 4.367 4.320 -1.256 0.000 0.301 129 A C -1.435 176.260 177.584 0.185 0.000 1.041 129 A CA -0.736 51.378 52.037 0.128 0.000 0.711 129 A CB 1.707 20.762 19.000 0.093 0.000 1.240 129 A HN 0.523 nan 8.150 nan 0.000 0.420 130 R N 0.839 121.502 120.500 0.272 0.000 2.575 130 R HA 0.501 4.087 4.340 -1.256 0.000 0.293 130 R C -1.092 175.479 176.300 0.452 0.000 0.983 130 R CA -0.771 55.524 56.100 0.324 0.000 0.887 130 R CB 0.960 31.457 30.300 0.329 0.000 1.184 130 R HN 0.797 nan 8.270 nan 0.000 0.445 131 Y N 0.738 121.192 120.300 0.256 0.000 2.304 131 Y HA 0.478 4.275 4.550 -1.255 0.000 0.327 131 Y C 0.323 176.045 175.900 -0.298 0.000 1.209 131 Y CA -0.952 57.177 58.100 0.050 0.000 1.299 131 Y CB 0.788 39.278 38.460 0.049 0.000 1.249 131 Y HN 0.482 nan 8.280 nan 0.000 0.519 132 M N 5.834 125.070 119.600 -0.608 0.000 2.188 132 M HA 0.189 3.915 4.480 -1.256 0.000 0.354 132 M C -1.874 174.252 176.300 -0.291 0.000 1.342 132 M CA -1.921 52.726 55.300 -1.087 0.000 1.117 132 M CB 1.374 33.164 32.600 -1.349 0.000 1.670 132 M HN 0.573 nan 8.290 nan 0.000 0.466 133 P HA -0.165 nan 4.420 nan 0.000 0.215 133 P C 0.455 177.743 177.300 -0.020 0.000 1.153 133 P CA 1.556 64.671 63.100 0.026 0.000 0.853 133 P CB 0.186 31.868 31.700 -0.031 0.000 0.788 134 Q N -1.421 118.305 119.800 -0.123 0.000 2.230 134 Q HA -0.007 3.580 4.340 -1.256 0.000 0.202 134 Q C 0.756 176.649 176.000 -0.178 0.000 0.963 134 Q CA 0.875 56.601 55.803 -0.128 0.000 0.866 134 Q CB -0.300 28.362 28.738 -0.127 0.000 0.931 134 Q HN 0.296 nan 8.270 nan 0.000 0.452 135 N N -0.575 117.971 118.700 -0.256 0.000 2.685 135 N HA 0.153 4.139 4.740 -1.256 0.000 0.252 135 N C -2.513 172.750 175.510 -0.412 0.000 1.261 135 N CA -1.439 51.377 53.050 -0.391 0.000 0.768 135 N CB 1.112 39.332 38.487 -0.445 0.000 1.304 135 N HN -0.191 nan 8.380 nan 0.000 0.536 136 P HA -0.133 nan 4.420 nan 0.000 0.223 136 P C 0.461 177.683 177.300 -0.130 0.000 1.144 136 P CA 1.236 64.223 63.100 -0.187 0.000 0.783 136 P CB -0.084 31.436 31.700 -0.301 0.000 0.771 137 H N -2.539 116.396 119.070 -0.225 0.000 2.533 137 H HA 0.264 4.065 4.556 -1.258 0.000 0.271 137 H C 0.343 175.478 175.328 -0.322 0.000 1.000 137 H CA -0.511 55.217 56.048 -0.534 0.000 1.149 137 H CB -1.137 27.970 29.762 -1.092 0.000 1.375 137 H HN 0.081 nan 8.280 nan 0.000 0.582 138 I N 1.818 122.311 120.570 -0.128 0.000 2.339 138 I HA 0.297 3.713 4.170 -1.256 0.000 0.290 138 I C -0.599 175.562 176.117 0.073 0.000 0.994 138 I CA -0.619 60.669 61.300 -0.021 0.000 1.191 138 I CB 1.388 39.280 38.000 -0.180 0.000 1.343 138 I HN 0.132 nan 8.210 nan 0.000 0.458 139 I N 5.724 126.462 120.570 0.279 0.000 2.466 139 I HA 0.514 3.930 4.170 -1.256 0.000 0.289 139 I C 0.082 176.498 176.117 0.499 0.000 1.026 139 I CA -0.518 61.023 61.300 0.402 0.000 1.078 139 I CB 2.012 40.241 38.000 0.380 0.000 1.249 139 I HN 0.566 nan 8.210 nan 0.000 0.429 140 A N 4.127 127.301 122.820 0.590 0.000 2.306 140 A HA 0.837 4.403 4.320 -1.256 0.000 0.314 140 A C -0.009 177.739 177.584 0.273 0.000 1.164 140 A CA -0.348 51.914 52.037 0.374 0.000 0.822 140 A CB 0.846 19.952 19.000 0.177 0.000 1.130 140 A HN 0.719 nan 8.150 nan 0.000 0.496 141 T N -0.093 114.595 114.554 0.224 0.000 2.900 141 T HA 0.642 4.238 4.350 -1.256 0.000 0.295 141 T C -0.803 173.962 174.700 0.108 0.000 1.044 141 T CA -1.022 61.200 62.100 0.203 0.000 0.995 141 T CB 1.432 70.521 68.868 0.369 0.000 1.072 141 T HN 0.458 nan 8.240 nan 0.000 0.473 142 K N 2.396 122.821 120.400 0.041 0.000 2.156 142 K HA 0.627 4.193 4.320 -1.256 0.000 0.271 142 K C -0.224 176.363 176.600 -0.021 0.000 0.995 142 K CA -0.536 55.733 56.287 -0.030 0.000 0.890 142 K CB 1.918 34.348 32.500 -0.117 0.000 1.073 142 K HN 0.849 nan 8.250 nan 0.000 0.454 143 T N 1.926 116.467 114.554 -0.021 0.000 2.930 143 T HA 0.281 3.877 4.350 -1.256 0.000 0.290 143 T C -1.872 172.784 174.700 -0.073 0.000 1.052 143 T CA -1.622 60.489 62.100 0.018 0.000 1.017 143 T CB 1.666 70.547 68.868 0.022 0.000 1.137 143 T HN 0.250 nan 8.240 nan 0.000 0.511 144 P HA -0.064 nan 4.420 nan 0.000 0.226 144 P C 0.630 177.900 177.300 -0.051 0.000 1.146 144 P CA 0.719 63.777 63.100 -0.071 0.000 0.773 144 P CB -0.010 31.666 31.700 -0.040 0.000 0.772 145 S N -0.821 114.854 115.700 -0.042 0.000 2.745 145 S HA 0.326 4.042 4.470 -1.256 0.000 0.292 145 S C 1.486 176.076 174.600 -0.017 0.000 1.127 145 S CA 0.096 58.279 58.200 -0.028 0.000 1.007 145 S CB 0.839 64.021 63.200 -0.030 0.000 1.165 145 S HN 0.069 nan 8.310 nan 0.000 0.544 146 S N -0.670 115.036 115.700 0.009 0.000 2.446 146 S HA 0.106 3.822 4.470 -1.256 0.000 0.225 146 S C -0.060 174.587 174.600 0.078 0.000 1.016 146 S CA 0.094 58.330 58.200 0.060 0.000 0.943 146 S CB -0.705 62.545 63.200 0.083 0.000 0.786 146 S HN 0.683 nan 8.310 nan 0.000 0.508 147 D N 2.494 122.900 120.400 0.010 0.000 2.383 147 D HA 0.304 4.190 4.640 -1.256 0.000 0.252 147 D C -0.278 175.972 176.300 -0.083 0.000 1.166 147 D CA 0.015 53.987 54.000 -0.045 0.000 0.879 147 D CB 1.579 42.331 40.800 -0.079 0.000 1.164 147 D HN 0.231 nan 8.370 nan 0.000 0.462 148 V N 3.979 123.791 119.914 -0.172 0.000 2.439 148 V HA 0.443 3.809 4.120 -1.256 0.000 0.282 148 V C -0.535 175.391 176.094 -0.281 0.000 1.039 148 V CA -0.537 61.636 62.300 -0.211 0.000 0.913 148 V CB 0.549 32.212 31.823 -0.267 0.000 0.983 148 V HN 0.369 nan 8.190 nan 0.000 0.460 149 L N 5.989 127.113 121.223 -0.165 0.000 2.344 149 L HA 0.729 4.315 4.340 -1.256 0.000 0.272 149 L C -0.594 176.136 176.870 -0.233 0.000 1.035 149 L CA -0.937 53.751 54.840 -0.253 0.000 0.807 149 L CB 1.936 43.855 42.059 -0.234 0.000 1.237 149 L HN 0.454 nan 8.230 nan 0.000 0.442 150 V N 1.615 121.292 119.914 -0.396 0.000 2.531 150 V HA 0.475 3.842 4.120 -1.256 0.000 0.301 150 V C -0.863 175.008 176.094 -0.373 0.000 1.034 150 V CA -0.436 61.758 62.300 -0.177 0.000 0.865 150 V CB 1.736 33.538 31.823 -0.035 0.000 0.995 150 V HN 0.389 nan 8.190 nan 0.000 0.424 151 F N 2.158 122.199 119.950 0.152 0.000 2.520 151 F HA 0.521 4.286 4.527 -1.271 0.000 0.322 151 F C 0.002 175.903 175.800 0.168 0.000 1.103 151 F CA -0.655 57.436 58.000 0.152 0.000 0.926 151 F CB 1.884 40.928 39.000 0.073 0.000 1.154 151 F HN 0.411 nan 8.300 nan 0.000 0.453 152 D N 2.556 123.175 120.400 0.365 0.000 2.454 152 D HA 0.071 3.957 4.640 -1.256 0.000 0.225 152 D C 0.442 176.904 176.300 0.271 0.000 1.081 152 D CA -0.512 53.627 54.000 0.232 0.000 0.864 152 D CB 0.530 41.415 40.800 0.141 0.000 1.040 152 D HN 0.609 nan 8.370 nan 0.000 0.517 153 Y N 1.510 121.942 120.300 0.220 0.000 2.639 153 Y HA -0.051 3.743 4.550 -1.260 0.000 0.297 153 Y C 1.764 177.714 175.900 0.084 0.000 1.151 153 Y CA 0.996 59.188 58.100 0.153 0.000 1.335 153 Y CB -0.311 38.189 38.460 0.067 0.000 0.994 153 Y HN 0.251 nan 8.280 nan 0.000 0.548 154 T N -2.412 112.079 114.554 -0.105 0.000 3.113 154 T HA 0.096 3.692 4.350 -1.256 0.000 0.256 154 T C 0.931 175.612 174.700 -0.033 0.000 1.131 154 T CA 0.239 62.261 62.100 -0.130 0.000 1.074 154 T CB -0.170 68.411 68.868 -0.479 0.000 0.944 154 T HN 0.438 nan 8.240 nan 0.000 0.516 155 K N 0.815 121.242 120.400 0.046 0.000 2.593 155 K HA 0.233 3.799 4.320 -1.256 0.000 0.208 155 K C -0.366 176.146 176.600 -0.147 0.000 1.051 155 K CA -0.354 55.912 56.287 -0.036 0.000 1.111 155 K CB 0.377 32.836 32.500 -0.068 0.000 0.849 155 K HN 0.527 nan 8.250 nan 0.000 0.479 156 H N 0.608 119.727 119.070 0.081 0.000 2.821 156 H HA 0.274 4.078 4.556 -1.253 0.000 0.373 156 H C -2.411 172.959 175.328 0.070 0.000 1.165 156 H CA -1.924 54.179 56.048 0.093 0.000 1.154 156 H CB 1.942 31.783 29.762 0.131 0.000 1.765 156 H HN -0.001 nan 8.280 nan 0.000 0.549 157 P HA 0.041 nan 4.420 nan 0.000 0.269 157 P C 0.482 177.840 177.300 0.097 0.000 1.209 157 P CA -0.102 63.059 63.100 0.102 0.000 0.776 157 P CB 0.755 32.507 31.700 0.088 0.000 0.876 158 A N 2.909 125.768 122.820 0.065 0.000 1.978 158 A HA -0.151 3.415 4.320 -1.256 0.000 0.220 158 A C 1.124 178.727 177.584 0.032 0.000 1.170 158 A CA 1.403 53.468 52.037 0.047 0.000 0.636 158 A CB -0.506 18.515 19.000 0.036 0.000 0.810 158 A HN 0.651 nan 8.150 nan 0.000 0.448 159 K N 0.491 120.912 120.400 0.035 0.000 2.345 159 K HA 0.439 4.005 4.320 -1.256 0.000 0.255 159 K C -3.141 173.485 176.600 0.044 0.000 0.934 159 K CA -2.326 53.975 56.287 0.023 0.000 0.801 159 K CB 2.017 34.528 32.500 0.017 0.000 1.137 159 K HN -0.014 nan 8.250 nan 0.000 0.424 160 P HA 0.029 nan 4.420 nan 0.000 0.275 160 P C -0.902 176.454 177.300 0.092 0.000 1.228 160 P CA -0.209 62.945 63.100 0.090 0.000 0.786 160 P CB 0.722 32.496 31.700 0.124 0.000 0.927 161 D N 3.299 123.759 120.400 0.099 0.000 2.401 161 D HA 0.035 3.921 4.640 -1.256 0.000 0.254 161 D C -1.388 174.967 176.300 0.091 0.000 1.192 161 D CA -1.588 52.461 54.000 0.081 0.000 0.885 161 D CB 0.701 41.544 40.800 0.072 0.000 1.147 161 D HN 0.120 nan 8.370 nan 0.000 0.478 162 P HA -0.137 nan 4.420 nan 0.000 0.226 162 P C 1.270 178.610 177.300 0.067 0.000 1.146 162 P CA 0.841 63.990 63.100 0.082 0.000 0.773 162 P CB 0.107 31.844 31.700 0.062 0.000 0.772 163 S N -1.620 114.113 115.700 0.056 0.000 2.447 163 S HA 0.046 3.762 4.470 -1.256 0.000 0.233 163 S C 1.863 176.484 174.600 0.035 0.000 1.006 163 S CA 0.902 59.126 58.200 0.041 0.000 0.957 163 S CB -1.482 61.739 63.200 0.035 0.000 0.773 163 S HN 0.289 nan 8.310 nan 0.000 0.507 164 G N 0.634 109.462 108.800 0.046 0.000 2.159 164 G HA2 -0.267 2.939 3.960 -1.256 0.000 0.256 164 G HA3 -0.267 2.939 3.960 -1.256 0.000 0.256 164 G C -0.269 174.638 174.900 0.011 0.000 0.977 164 G CA 0.177 45.289 45.100 0.020 0.000 0.652 164 G HN 0.616 nan 8.290 nan 0.000 0.531 165 E N 0.102 120.321 120.200 0.031 0.000 2.351 165 E HA 0.355 3.951 4.350 -1.256 0.000 0.266 165 E C 0.706 177.340 176.600 0.057 0.000 1.031 165 E CA 0.003 56.422 56.400 0.032 0.000 0.911 165 E CB 0.656 30.377 29.700 0.035 0.000 0.986 165 E HN 0.389 nan 8.360 nan 0.000 0.446 166 C N 4.984 124.310 119.300 0.043 0.000 2.373 166 C HA 0.276 3.982 4.460 -1.256 0.000 0.354 166 C C -0.304 174.758 174.990 0.119 0.000 1.249 166 C CA -0.666 58.403 59.018 0.085 0.000 1.784 166 C CB -1.266 26.486 27.740 0.020 0.000 2.408 166 C HN 0.724 nan 8.230 nan 0.000 0.542 167 N N 6.951 125.786 118.700 0.224 0.000 2.904 167 N HA 0.311 4.297 4.740 -1.256 0.000 0.257 167 N C -2.663 173.005 175.510 0.264 0.000 1.363 167 N CA -0.829 52.336 53.050 0.191 0.000 0.856 167 N CB 1.144 39.724 38.487 0.155 0.000 1.166 167 N HN 0.621 nan 8.380 nan 0.000 0.499 168 P HA 0.079 nan 4.420 nan 0.000 0.269 168 P C -0.347 176.864 177.300 -0.148 0.000 1.215 168 P CA 0.020 62.926 63.100 -0.322 0.000 0.780 168 P CB 1.440 32.814 31.700 -0.544 0.000 0.898 169 D N 0.214 120.527 120.400 -0.146 0.000 2.183 169 D HA 0.025 3.911 4.640 -1.256 0.000 0.203 169 D C 0.127 176.363 176.300 -0.107 0.000 0.969 169 D CA 1.373 55.338 54.000 -0.058 0.000 0.842 169 D CB -0.047 40.764 40.800 0.017 0.000 0.957 169 D HN 0.110 nan 8.370 nan 0.000 0.484 170 L N 0.022 121.134 121.223 -0.184 0.000 2.422 170 L HA 0.420 4.006 4.340 -1.256 0.000 0.264 170 L C -0.947 175.774 176.870 -0.248 0.000 0.984 170 L CA -0.721 54.013 54.840 -0.177 0.000 0.819 170 L CB 2.204 44.178 42.059 -0.141 0.000 1.330 170 L HN -0.225 nan 8.230 nan 0.000 0.410 171 R N 4.207 124.579 120.500 -0.215 0.000 2.343 171 R HA 0.662 4.248 4.340 -1.256 0.000 0.320 171 R C -1.258 174.869 176.300 -0.289 0.000 0.956 171 R CA -0.741 55.216 56.100 -0.238 0.000 0.836 171 R CB 1.426 31.628 30.300 -0.164 0.000 1.151 171 R HN 0.448 nan 8.270 nan 0.000 0.450 172 L N 4.221 125.170 121.223 -0.458 0.000 2.257 172 L HA 0.456 4.042 4.340 -1.256 0.000 0.290 172 L C 0.448 177.098 176.870 -0.367 0.000 1.044 172 L CA -0.691 53.691 54.840 -0.763 0.000 0.810 172 L CB 0.697 41.699 42.059 -1.761 0.000 1.193 172 L HN 0.355 nan 8.230 nan 0.000 0.425 173 R N 1.916 122.430 120.500 0.023 0.000 2.486 173 R HA 0.633 4.219 4.340 -1.256 0.000 0.286 173 R C 0.682 177.222 176.300 0.400 0.000 0.999 173 R CA 0.159 56.367 56.100 0.180 0.000 0.993 173 R CB 1.835 32.191 30.300 0.094 0.000 1.084 173 R HN 0.902 nan 8.270 nan 0.000 0.487 174 G N 0.809 109.737 108.800 0.214 0.000 3.617 174 G HA2 -0.114 3.092 3.960 -1.256 0.000 0.217 174 G HA3 -0.114 3.092 3.960 -1.256 0.000 0.217 174 G C -0.189 174.679 174.900 -0.053 0.000 0.967 174 G CA -0.495 44.614 45.100 0.015 0.000 0.878 174 G HN 0.608 nan 8.290 nan 0.000 0.439 175 H N 0.402 119.565 119.070 0.156 0.000 2.488 175 H HA 0.561 4.379 4.556 -1.231 0.000 0.347 175 H C 0.913 176.273 175.328 0.052 0.000 1.174 175 H CA -0.397 55.706 56.048 0.091 0.000 1.307 175 H CB 1.453 31.287 29.762 0.119 0.000 1.517 175 H HN -0.010 nan 8.280 nan 0.000 0.554 176 Q N 0.708 120.622 119.800 0.189 0.000 2.378 176 Q HA 0.195 3.782 4.340 -1.256 0.000 0.229 176 Q C -0.117 175.919 176.000 0.060 0.000 0.882 176 Q CA 0.681 56.538 55.803 0.089 0.000 0.936 176 Q CB 1.084 29.852 28.738 0.051 0.000 1.092 176 Q HN 0.536 nan 8.270 nan 0.000 0.535 177 K N 1.035 121.467 120.400 0.053 0.000 2.378 177 K HA 0.287 3.853 4.320 -1.256 0.000 0.244 177 K C -0.306 176.271 176.600 -0.037 0.000 1.039 177 K CA -0.620 55.671 56.287 0.007 0.000 0.863 177 K CB 1.939 34.443 32.500 0.006 0.000 1.326 177 K HN 0.011 nan 8.250 nan 0.000 0.460 178 E N -0.322 119.848 120.200 -0.050 0.000 2.397 178 E HA 0.501 4.098 4.350 -1.256 0.000 0.254 178 E C 0.111 176.633 176.600 -0.131 0.000 1.231 178 E CA -0.796 55.545 56.400 -0.097 0.000 0.954 178 E CB 0.699 30.336 29.700 -0.105 0.000 1.024 178 E HN 0.636 nan 8.360 nan 0.000 0.481 179 G N -0.838 107.853 108.800 -0.182 0.000 2.650 179 G HA2 0.354 3.560 3.960 -1.256 0.000 0.310 179 G HA3 0.354 3.560 3.960 -1.256 0.000 0.310 179 G C -1.132 173.637 174.900 -0.218 0.000 1.270 179 G CA -0.535 44.497 45.100 -0.115 0.000 0.810 179 G HN 0.574 nan 8.290 nan 0.000 0.493 180 Y N -0.120 120.150 120.300 -0.050 0.000 2.820 180 Y HA 0.366 4.885 4.550 -0.051 0.000 0.261 180 Y C 2.129 178.021 175.900 -0.013 0.000 1.123 180 Y CA 0.264 58.346 58.100 -0.029 0.000 1.217 180 Y CB 0.129 38.574 38.460 -0.025 0.000 1.432 180 Y HN 0.732 nan 8.280 nan 0.000 0.461 181 G N 2.579 111.467 108.800 0.147 0.000 2.178 181 G HA2 0.274 3.480 3.960 -1.256 0.000 0.244 181 G HA3 0.274 3.480 3.960 -1.256 0.000 0.244 181 G C -0.705 174.221 174.900 0.043 0.000 1.213 181 G CA 0.323 45.470 45.100 0.078 0.000 0.912 181 G HN 0.181 nan 8.290 nan 0.000 0.474 182 L N 1.429 122.676 121.223 0.040 0.000 2.445 182 L HA 0.654 4.240 4.340 -1.256 0.000 0.262 182 L C -0.384 176.491 176.870 0.009 0.000 0.974 182 L CA -0.760 54.077 54.840 -0.004 0.000 0.822 182 L CB 2.628 44.688 42.059 0.000 0.000 1.339 182 L HN 0.626 nan 8.230 nan 0.000 0.409 183 S N 1.817 117.493 115.700 -0.040 0.000 2.626 183 S HA 0.457 4.173 4.470 -1.256 0.000 0.275 183 S C -1.865 172.877 174.600 0.236 0.000 1.175 183 S CA -0.503 57.768 58.200 0.119 0.000 0.982 183 S CB 0.746 64.029 63.200 0.139 0.000 1.093 183 S HN 0.437 nan 8.310 nan 0.000 0.472 184 W N 3.458 124.926 121.300 0.279 0.000 2.316 184 W HA 0.437 4.349 4.660 -1.247 0.000 0.321 184 W C 0.789 177.341 176.519 0.056 0.000 1.203 184 W CA -0.406 57.056 57.345 0.195 0.000 1.214 184 W CB 0.573 30.057 29.460 0.039 0.000 1.169 184 W HN 0.572 nan 8.180 nan 0.000 0.561 185 N N 1.618 120.248 118.700 -0.116 0.000 2.420 185 N HA -0.045 3.941 4.740 -1.256 0.000 0.262 185 N C 0.915 176.279 175.510 -0.243 0.000 1.144 185 N CA 0.257 52.863 53.050 -0.739 0.000 0.952 185 N CB 1.124 38.820 38.487 -1.318 0.000 1.081 185 N HN 0.472 nan 8.380 nan 0.000 0.480 186 S N 2.437 118.044 115.700 -0.156 0.000 2.603 186 S HA 0.122 3.838 4.470 -1.256 0.000 0.220 186 S C 0.593 175.122 174.600 -0.118 0.000 0.967 186 S CA 0.073 58.221 58.200 -0.087 0.000 0.920 186 S CB 0.083 63.260 63.200 -0.039 0.000 0.773 186 S HN 0.553 nan 8.310 nan 0.000 0.529 187 N N 0.254 118.845 118.700 -0.182 0.000 2.166 187 N HA 0.268 4.254 4.740 -1.256 0.000 0.213 187 N C -1.026 174.360 175.510 -0.206 0.000 1.222 187 N CA 0.020 52.969 53.050 -0.168 0.000 0.900 187 N CB 0.984 39.381 38.487 -0.149 0.000 1.055 187 N HN 0.298 nan 8.380 nan 0.000 0.515 188 L N 1.339 122.398 121.223 -0.274 0.000 2.492 188 L HA 0.311 3.897 4.340 -1.256 0.000 0.258 188 L C -0.303 176.490 176.870 -0.129 0.000 1.028 188 L CA -0.447 54.214 54.840 -0.297 0.000 0.900 188 L CB 1.359 43.071 42.059 -0.578 0.000 1.191 188 L HN -0.206 nan 8.230 nan 0.000 0.459 189 S N 2.734 118.412 115.700 -0.036 0.000 2.544 189 S HA 0.429 4.145 4.470 -1.256 0.000 0.290 189 S C 1.348 176.060 174.600 0.188 0.000 1.276 189 S CA 1.109 59.331 58.200 0.037 0.000 1.075 189 S CB 0.008 63.201 63.200 -0.012 0.000 0.849 189 S HN 1.372 nan 8.310 nan 0.000 0.494 190 G N 3.903 112.856 108.800 0.255 0.000 2.175 190 G HA2 -0.200 3.006 3.960 -1.256 0.000 0.244 190 G HA3 -0.200 3.006 3.960 -1.256 0.000 0.244 190 G C -0.195 174.952 174.900 0.411 0.000 0.982 190 G CA 0.198 45.519 45.100 0.368 0.000 0.641 190 G HN 0.808 nan 8.290 nan 0.000 0.527 191 H N -0.486 118.728 119.070 0.239 0.000 2.668 191 H HA 0.671 4.473 4.556 -1.257 0.000 0.303 191 H C 0.008 175.500 175.328 0.273 0.000 1.074 191 H CA -0.160 56.003 56.048 0.191 0.000 1.406 191 H CB 1.482 31.239 29.762 -0.009 0.000 1.442 191 H HN 0.362 nan 8.280 nan 0.000 0.482 192 L N 4.420 125.819 121.223 0.293 0.000 2.386 192 L HA 0.479 4.065 4.340 -1.256 0.000 0.271 192 L C -1.582 175.397 176.870 0.182 0.000 0.993 192 L CA -0.453 54.431 54.840 0.073 0.000 0.819 192 L CB 1.282 43.051 42.059 -0.483 0.000 1.294 192 L HN 0.550 nan 8.230 nan 0.000 0.414 193 L N 3.202 124.451 121.223 0.042 0.000 2.331 193 L HA 0.785 4.371 4.340 -1.256 0.000 0.275 193 L C -0.228 176.592 176.870 -0.083 0.000 1.022 193 L CA -0.513 54.191 54.840 -0.228 0.000 0.812 193 L CB 1.984 43.591 42.059 -0.753 0.000 1.257 193 L HN 0.704 nan 8.230 nan 0.000 0.435 194 S N 1.181 116.876 115.700 -0.009 0.000 2.540 194 S HA 0.843 4.559 4.470 -1.256 0.000 0.275 194 S C -1.224 173.462 174.600 0.142 0.000 1.123 194 S CA -0.436 57.866 58.200 0.170 0.000 0.907 194 S CB 1.819 65.346 63.200 0.545 0.000 1.081 194 S HN 0.710 nan 8.310 nan 0.000 0.476 195 A N 2.329 125.176 122.820 0.045 0.000 2.337 195 A HA 0.890 4.456 4.320 -1.256 0.000 0.329 195 A C -0.138 177.347 177.584 -0.165 0.000 1.146 195 A CA -0.605 51.419 52.037 -0.022 0.000 0.800 195 A CB 1.641 20.632 19.000 -0.016 0.000 1.220 195 A HN 0.973 nan 8.150 nan 0.000 0.472 196 S N -0.172 115.395 115.700 -0.222 0.000 2.627 196 S HA 0.463 4.179 4.470 -1.256 0.000 0.283 196 S C -0.398 174.158 174.600 -0.074 0.000 1.127 196 S CA -0.530 57.486 58.200 -0.305 0.000 0.863 196 S CB 1.355 64.108 63.200 -0.745 0.000 1.121 196 S HN 0.561 nan 8.310 nan 0.000 0.479 197 D N 1.418 121.802 120.400 -0.027 0.000 2.371 197 D HA 0.002 3.888 4.640 -1.256 0.000 0.221 197 D C 0.936 177.343 176.300 0.178 0.000 0.986 197 D CA 0.737 54.779 54.000 0.070 0.000 0.899 197 D CB -0.116 40.720 40.800 0.061 0.000 0.902 197 D HN 0.709 nan 8.370 nan 0.000 0.530 198 D N -1.180 119.293 120.400 0.122 0.000 2.328 198 D HA -0.098 3.788 4.640 -1.256 0.000 0.226 198 D C 0.065 176.516 176.300 0.252 0.000 1.066 198 D CA 0.072 54.146 54.000 0.124 0.000 0.861 198 D CB -0.103 40.740 40.800 0.072 0.000 0.912 198 D HN 0.053 nan 8.370 nan 0.000 0.521 199 H N -1.709 117.388 119.070 0.045 0.000 3.628 199 H HA -0.126 3.673 4.556 -1.263 0.000 0.173 199 H C -0.050 175.352 175.328 0.124 0.000 0.941 199 H CA 0.641 56.739 56.048 0.083 0.000 1.224 199 H CB -2.452 27.364 29.762 0.091 0.000 0.992 199 H HN 0.508 nan 8.280 nan 0.000 0.383 200 T N -2.337 112.353 114.554 0.227 0.000 2.912 200 T HA 0.740 4.336 4.350 -1.256 0.000 0.288 200 T C 0.018 174.838 174.700 0.200 0.000 1.030 200 T CA -0.608 61.614 62.100 0.203 0.000 1.020 200 T CB 2.854 71.826 68.868 0.174 0.000 1.056 200 T HN 0.051 nan 8.240 nan 0.000 0.480 201 V N 1.494 121.485 119.914 0.128 0.000 2.398 201 V HA 0.427 3.793 4.120 -1.256 0.000 0.286 201 V C 0.149 176.228 176.094 -0.025 0.000 1.026 201 V CA -0.774 61.550 62.300 0.041 0.000 0.868 201 V CB 1.014 32.733 31.823 -0.173 0.000 0.982 201 V HN 1.167 nan 8.190 nan 0.000 0.443 202 C N 5.605 124.784 119.300 -0.201 0.000 2.365 202 C HA 0.653 4.359 4.460 -1.256 0.000 0.349 202 C C -0.036 174.506 174.990 -0.747 0.000 1.191 202 C CA -0.705 57.898 59.018 -0.692 0.000 2.114 202 C CB 1.055 27.948 27.740 -1.412 0.000 2.367 202 C HN 0.819 nan 8.230 nan 0.000 0.530 203 L N 3.206 123.957 121.223 -0.787 0.000 2.381 203 L HA 0.593 4.179 4.340 -1.256 0.000 0.274 203 L C -1.348 175.166 176.870 -0.593 0.000 0.988 203 L CA -0.203 54.368 54.840 -0.448 0.000 0.824 203 L CB 0.927 42.964 42.059 -0.037 0.000 1.263 203 L HN 0.694 nan 8.230 nan 0.000 0.410 204 W N 2.854 124.112 121.300 -0.070 0.000 2.761 204 W HA 0.295 4.193 4.660 -1.270 0.000 0.340 204 W C -0.803 175.604 176.519 -0.188 0.000 1.072 204 W CA -0.645 56.632 57.345 -0.114 0.000 1.215 204 W CB 2.136 31.521 29.460 -0.124 0.000 1.420 204 W HN 0.412 nan 8.180 nan 0.000 0.519 205 D N 2.489 122.876 120.400 -0.023 0.000 2.461 205 D HA 0.199 4.085 4.640 -1.256 0.000 0.240 205 D C 0.857 177.141 176.300 -0.027 0.000 1.094 205 D CA -0.424 53.418 54.000 -0.263 0.000 0.868 205 D CB 0.622 41.161 40.800 -0.434 0.000 1.062 205 D HN 0.352 nan 8.370 nan 0.000 0.530 206 I N 0.811 121.411 120.570 0.050 0.000 3.176 206 I HA 0.041 3.457 4.170 -1.256 0.000 0.275 206 I C 0.650 176.800 176.117 0.054 0.000 1.298 206 I CA 0.350 61.694 61.300 0.074 0.000 1.445 206 I CB -0.028 38.055 38.000 0.138 0.000 1.075 206 I HN 0.017 nan 8.210 nan 0.000 0.482 207 N N 1.929 120.658 118.700 0.049 0.000 2.446 207 N HA 0.185 4.171 4.740 -1.256 0.000 0.179 207 N C 1.076 176.605 175.510 0.030 0.000 1.054 207 N CA 0.857 53.933 53.050 0.043 0.000 0.905 207 N CB 0.117 38.638 38.487 0.057 0.000 0.973 207 N HN 0.603 nan 8.380 nan 0.000 0.448 208 A N -0.232 122.603 122.820 0.024 0.000 2.710 208 A HA 0.712 4.278 4.320 -1.256 0.000 0.253 208 A C 1.006 178.602 177.584 0.020 0.000 1.658 208 A CA 0.339 52.390 52.037 0.022 0.000 0.851 208 A CB -0.549 18.463 19.000 0.020 0.000 1.658 208 A HN 0.367 nan 8.150 nan 0.000 0.585 209 G N -1.694 107.118 108.800 0.019 0.000 2.627 209 G HA2 0.164 3.370 3.960 -1.256 0.000 0.214 209 G HA3 0.164 3.370 3.960 -1.256 0.000 0.214 209 G C -2.475 172.430 174.900 0.008 0.000 1.331 209 G CA -0.167 44.942 45.100 0.015 0.000 0.891 209 G HN 1.091 nan 8.290 nan 0.000 0.539 210 P HA 0.525 nan 4.420 nan 0.000 0.301 210 P C 0.744 178.043 177.300 -0.002 0.000 1.309 210 P CA -0.616 62.484 63.100 0.000 0.000 0.782 210 P CB 1.000 32.699 31.700 -0.002 0.000 1.282 211 K N -0.204 120.194 120.400 -0.003 0.000 1.985 211 K HA -0.061 3.505 4.320 -1.256 0.000 0.210 211 K C 0.154 176.749 176.600 -0.008 0.000 1.047 211 K CA 1.480 57.764 56.287 -0.005 0.000 0.932 211 K CB 0.017 32.514 32.500 -0.004 0.000 0.716 211 K HN 0.548 nan 8.250 nan 0.000 0.439 212 E N -1.239 118.955 120.200 -0.009 0.000 2.675 212 E HA 0.283 3.879 4.350 -1.256 0.000 0.236 212 E C -0.216 176.375 176.600 -0.014 0.000 1.059 212 E CA -0.165 56.227 56.400 -0.013 0.000 0.775 212 E CB 1.481 31.173 29.700 -0.012 0.000 1.356 212 E HN 0.441 nan 8.360 nan 0.000 0.403 213 G N 2.096 110.886 108.800 -0.018 0.000 3.246 213 G HA2 -0.173 3.033 3.960 -1.256 0.000 0.218 213 G HA3 -0.173 3.033 3.960 -1.256 0.000 0.218 213 G C 1.009 175.892 174.900 -0.028 0.000 0.978 213 G CA -0.454 44.635 45.100 -0.019 0.000 0.825 213 G HN 0.189 nan 8.290 nan 0.000 0.546 214 K N 0.363 120.742 120.400 -0.036 0.000 2.243 214 K HA 0.426 3.992 4.320 -1.256 0.000 0.201 214 K C 0.906 177.465 176.600 -0.067 0.000 1.051 214 K CA 0.529 56.784 56.287 -0.053 0.000 0.970 214 K CB 0.082 32.551 32.500 -0.052 0.000 0.755 214 K HN 0.496 nan 8.250 nan 0.000 0.465 215 I N 0.897 121.436 120.570 -0.051 0.000 2.377 215 I HA 0.212 3.629 4.170 -1.256 0.000 0.293 215 I C -0.837 175.260 176.117 -0.033 0.000 0.987 215 I CA -1.127 60.141 61.300 -0.053 0.000 1.185 215 I CB 1.883 39.861 38.000 -0.037 0.000 1.341 215 I HN -0.290 nan 8.210 nan 0.000 0.455 216 V N 5.564 125.455 119.914 -0.039 0.000 2.588 216 V HA 0.499 3.865 4.120 -1.256 0.000 0.304 216 V C -0.840 175.328 176.094 0.124 0.000 1.042 216 V CA -0.430 61.885 62.300 0.025 0.000 0.877 216 V CB 2.077 33.912 31.823 0.021 0.000 0.996 216 V HN 0.608 nan 8.190 nan 0.000 0.425 217 D N 4.222 124.714 120.400 0.153 0.000 2.312 217 D HA 0.539 4.425 4.640 -1.256 0.000 0.248 217 D C 0.346 176.774 176.300 0.215 0.000 1.086 217 D CA 0.236 54.350 54.000 0.189 0.000 0.948 217 D CB 2.032 42.872 40.800 0.066 0.000 1.162 217 D HN 1.000 nan 8.370 nan 0.000 0.446 218 A N 1.431 124.267 122.820 0.027 0.000 2.522 218 A HA -0.029 3.537 4.320 -1.256 0.000 0.256 218 A C 1.423 178.821 177.584 -0.309 0.000 1.086 218 A CA 0.059 51.796 52.037 -0.500 0.000 0.763 218 A CB 0.168 18.757 19.000 -0.685 0.000 1.024 218 A HN 0.616 nan 8.150 nan 0.000 0.502 219 K N 1.879 122.101 120.400 -0.297 0.000 2.097 219 K HA 0.067 3.633 4.320 -1.256 0.000 0.206 219 K C 0.540 177.013 176.600 -0.212 0.000 1.049 219 K CA 1.595 57.781 56.287 -0.168 0.000 0.933 219 K CB -0.071 32.373 32.500 -0.093 0.000 0.717 219 K HN 0.909 nan 8.250 nan 0.000 0.442 220 A N 0.480 123.109 122.820 -0.318 0.000 2.549 220 A HA 0.605 4.171 4.320 -1.256 0.000 0.297 220 A C -1.363 175.888 177.584 -0.554 0.000 1.061 220 A CA -0.823 50.954 52.037 -0.434 0.000 0.690 220 A CB 1.278 19.998 19.000 -0.466 0.000 1.287 220 A HN 0.185 nan 8.150 nan 0.000 0.402 221 I N 1.657 121.859 120.570 -0.613 0.000 2.468 221 I HA 0.349 3.765 4.170 -1.256 0.000 0.285 221 I C -1.444 174.371 176.117 -0.504 0.000 1.039 221 I CA -0.152 60.872 61.300 -0.460 0.000 1.074 221 I CB 1.450 39.270 38.000 -0.300 0.000 1.228 221 I HN 0.560 nan 8.210 nan 0.000 0.436 222 F N 3.617 123.389 119.950 -0.298 0.000 2.410 222 F HA 0.301 4.072 4.527 -1.260 0.000 0.349 222 F C 1.279 176.956 175.800 -0.206 0.000 1.117 222 F CA -0.520 57.239 58.000 -0.401 0.000 1.104 222 F CB 1.490 39.929 39.000 -0.935 0.000 1.122 222 F HN 0.426 nan 8.300 nan 0.000 0.483 223 T N -1.860 112.752 114.554 0.097 0.000 3.296 223 T HA 0.223 3.819 4.350 -1.256 0.000 0.285 223 T C 1.503 176.357 174.700 0.258 0.000 1.014 223 T CA 0.029 62.228 62.100 0.166 0.000 0.920 223 T CB 0.254 69.181 68.868 0.099 0.000 1.143 223 T HN 0.694 nan 8.240 nan 0.000 0.522 224 G N 0.825 109.888 108.800 0.438 0.000 2.422 224 G HA2 -0.016 3.190 3.960 -1.256 0.000 0.218 224 G HA3 -0.016 3.190 3.960 -1.256 0.000 0.218 224 G C 0.404 175.364 174.900 0.099 0.000 1.140 224 G CA 0.241 45.552 45.100 0.352 0.000 0.775 224 G HN 0.644 nan 8.290 nan 0.000 0.545 225 H N -0.585 118.645 119.070 0.267 0.000 2.551 225 H HA 0.384 4.190 4.556 -1.250 0.000 0.358 225 H C 1.037 176.426 175.328 0.103 0.000 1.151 225 H CA 0.411 56.544 56.048 0.142 0.000 1.374 225 H CB 1.526 31.351 29.762 0.106 0.000 1.473 225 H HN 0.169 nan 8.280 nan 0.000 0.574 226 S N 0.337 116.140 115.700 0.172 0.000 2.593 226 S HA 0.601 4.318 4.470 -1.256 0.000 0.236 226 S C 0.335 174.879 174.600 -0.093 0.000 0.991 226 S CA -0.036 58.241 58.200 0.128 0.000 0.963 226 S CB 0.422 63.686 63.200 0.106 0.000 0.865 226 S HN 0.700 nan 8.310 nan 0.000 0.488 227 A N 0.444 123.025 122.820 -0.397 0.000 2.567 227 A HA 0.729 4.295 4.320 -1.256 0.000 0.289 227 A C -0.622 176.507 177.584 -0.759 0.000 1.177 227 A CA -0.743 50.846 52.037 -0.747 0.000 0.694 227 A CB 0.458 19.305 19.000 -0.255 0.000 1.292 227 A HN 0.344 nan 8.150 nan 0.000 0.425 228 V N 1.052 120.692 119.914 -0.457 0.000 2.583 228 V HA 0.124 3.491 4.120 -1.256 0.000 0.302 228 V C 0.637 176.627 176.094 -0.173 0.000 1.033 228 V CA 0.730 62.929 62.300 -0.168 0.000 1.194 228 V CB 0.597 32.394 31.823 -0.043 0.000 0.879 228 V HN 0.981 nan 8.190 nan 0.000 0.482 229 V N 6.322 126.152 119.914 -0.140 0.000 2.432 229 V HA 0.310 3.676 4.120 -1.256 0.000 0.271 229 V C 1.112 177.146 176.094 -0.100 0.000 1.046 229 V CA -0.055 62.126 62.300 -0.200 0.000 0.945 229 V CB 1.321 33.032 31.823 -0.187 0.000 0.992 229 V HN 0.948 nan 8.190 nan 0.000 0.471 230 E N 3.969 124.108 120.200 -0.102 0.000 2.190 230 E HA 0.159 3.755 4.350 -1.256 0.000 0.191 230 E C -0.077 176.524 176.600 0.002 0.000 0.978 230 E CA 0.505 56.886 56.400 -0.032 0.000 0.839 230 E CB 0.503 30.173 29.700 -0.051 0.000 0.787 230 E HN 0.861 nan 8.360 nan 0.000 0.473 231 D N -0.831 119.559 120.400 -0.017 0.000 2.609 231 D HA 0.355 4.241 4.640 -1.256 0.000 0.239 231 D C -1.718 174.595 176.300 0.022 0.000 1.229 231 D CA -0.626 53.383 54.000 0.015 0.000 0.808 231 D CB 2.559 43.368 40.800 0.015 0.000 1.448 231 D HN -0.168 nan 8.370 nan 0.000 0.433 232 V N 0.335 120.267 119.914 0.029 0.000 3.012 232 V HA 0.933 4.299 4.120 -1.256 0.000 0.307 232 V C -1.774 174.349 176.094 0.047 0.000 1.166 232 V CA -0.187 62.127 62.300 0.023 0.000 0.974 232 V CB 1.787 33.538 31.823 -0.119 0.000 1.040 232 V HN 0.854 nan 8.190 nan 0.000 0.428 233 A N 4.658 127.554 122.820 0.127 0.000 2.491 233 A HA 0.668 4.235 4.320 -1.256 0.000 0.293 233 A C -1.484 176.301 177.584 0.335 0.000 1.047 233 A CA -0.564 51.627 52.037 0.257 0.000 0.735 233 A CB 0.720 19.971 19.000 0.418 0.000 1.281 233 A HN 0.900 nan 8.150 nan 0.000 0.398 234 W N 2.238 123.676 121.300 0.230 0.000 2.158 234 W HA 0.253 4.160 4.660 -1.256 0.000 0.339 234 W C 1.207 177.646 176.519 -0.134 0.000 1.294 234 W CA 0.690 58.119 57.345 0.140 0.000 1.231 234 W CB 0.391 29.902 29.460 0.085 0.000 1.143 234 W HN 0.683 nan 8.180 nan 0.000 0.571 235 H N 2.973 121.960 119.070 -0.137 0.000 2.871 235 H HA 0.007 3.809 4.556 -1.257 0.000 0.355 235 H C 0.877 176.061 175.328 -0.240 0.000 1.092 235 H CA 0.704 56.362 56.048 -0.650 0.000 1.420 235 H CB 0.932 30.470 29.762 -0.373 0.000 1.400 235 H HN 0.483 nan 8.280 nan 0.000 0.604 236 L N 4.870 125.775 121.223 -0.529 0.000 2.599 236 L HA -0.003 3.583 4.340 -1.256 0.000 0.230 236 L C 1.812 178.638 176.870 -0.074 0.000 1.141 236 L CA 0.409 55.124 54.840 -0.208 0.000 0.877 236 L CB 0.213 42.137 42.059 -0.225 0.000 1.009 236 L HN 0.558 nan 8.230 nan 0.000 0.447 237 L N -2.471 118.841 121.223 0.148 0.000 2.746 237 L HA 0.197 3.783 4.340 -1.256 0.000 0.230 237 L C 0.565 177.504 176.870 0.115 0.000 1.034 237 L CA -0.182 54.733 54.840 0.125 0.000 0.922 237 L CB 0.721 42.840 42.059 0.100 0.000 1.496 237 L HN 0.107 nan 8.230 nan 0.000 0.498 238 H N 0.906 120.032 119.070 0.094 0.000 2.604 238 H HA 0.072 3.874 4.556 -1.257 0.000 0.306 238 H C 0.777 176.112 175.328 0.010 0.000 1.075 238 H CA -0.253 55.753 56.048 -0.070 0.000 1.357 238 H CB 1.019 30.620 29.762 -0.268 0.000 1.426 238 H HN 0.180 nan 8.280 nan 0.000 0.470 239 E N 2.355 122.633 120.200 0.130 0.000 2.418 239 E HA -0.081 3.515 4.350 -1.256 0.000 0.197 239 E C 0.571 177.299 176.600 0.212 0.000 1.026 239 E CA 0.583 57.008 56.400 0.041 0.000 0.862 239 E CB 0.259 29.884 29.700 -0.125 0.000 0.799 239 E HN 0.414 nan 8.360 nan 0.000 0.518 240 S N 0.253 116.237 115.700 0.473 0.000 2.505 240 S HA 0.236 3.953 4.470 -1.256 0.000 0.216 240 S C 0.822 175.639 174.600 0.363 0.000 1.018 240 S CA -0.333 58.113 58.200 0.410 0.000 0.911 240 S CB 0.398 63.787 63.200 0.314 0.000 0.818 240 S HN 0.126 nan 8.310 nan 0.000 0.497 241 L N 2.892 124.257 121.223 0.237 0.000 2.312 241 L HA 0.575 4.161 4.340 -1.256 0.000 0.281 241 L C -0.588 176.489 176.870 0.345 0.000 1.070 241 L CA -0.659 54.246 54.840 0.109 0.000 0.805 241 L CB 0.934 42.906 42.059 -0.145 0.000 1.174 241 L HN 0.307 nan 8.230 nan 0.000 0.434 242 F N 0.497 120.506 119.950 0.099 0.000 2.662 242 F HA 0.879 4.654 4.527 -1.253 0.000 0.312 242 F C -0.294 175.630 175.800 0.206 0.000 1.113 242 F CA -0.852 57.173 58.000 0.042 0.000 0.951 242 F CB 1.533 40.265 39.000 -0.448 0.000 1.344 242 F HN 0.364 nan 8.300 nan 0.000 0.462 243 G N 0.485 109.592 108.800 0.512 0.000 2.448 243 G HA2 0.618 3.824 3.960 -1.256 0.000 0.324 243 G HA3 0.618 3.824 3.960 -1.256 0.000 0.324 243 G C -1.647 173.500 174.900 0.412 0.000 1.203 243 G CA -0.681 44.645 45.100 0.376 0.000 0.954 243 G HN 1.104 nan 8.290 nan 0.000 0.480 244 S N -1.097 114.834 115.700 0.385 0.000 2.632 244 S HA 0.828 4.545 4.470 -1.256 0.000 0.289 244 S C -1.303 173.450 174.600 0.255 0.000 1.115 244 S CA -0.924 57.500 58.200 0.372 0.000 0.889 244 S CB 2.327 65.892 63.200 0.608 0.000 1.116 244 S HN 0.901 nan 8.310 nan 0.000 0.486 245 V N 0.545 120.486 119.914 0.046 0.000 2.711 245 V HA 0.841 4.208 4.120 -1.256 0.000 0.304 245 V C -0.354 175.597 176.094 -0.239 0.000 1.097 245 V CA 0.143 62.412 62.300 -0.051 0.000 0.906 245 V CB 1.495 33.306 31.823 -0.020 0.000 1.015 245 V HN 1.485 nan 8.190 nan 0.000 0.427 246 A N 3.265 125.927 122.820 -0.264 0.000 2.552 246 A HA 0.740 4.306 4.320 -1.256 0.000 0.288 246 A C 0.025 177.522 177.584 -0.146 0.000 1.193 246 A CA -0.370 51.484 52.037 -0.306 0.000 0.713 246 A CB 1.328 19.979 19.000 -0.581 0.000 1.305 246 A HN 0.641 nan 8.150 nan 0.000 0.424 247 D N 0.394 120.713 120.400 -0.135 0.000 2.371 247 D HA -0.017 3.869 4.640 -1.256 0.000 0.221 247 D C 0.577 176.847 176.300 -0.051 0.000 0.986 247 D CA 1.354 55.303 54.000 -0.086 0.000 0.899 247 D CB 0.002 40.753 40.800 -0.081 0.000 0.902 247 D HN 0.611 nan 8.370 nan 0.000 0.530 248 D N -0.122 120.258 120.400 -0.034 0.000 2.336 248 D HA -0.089 3.797 4.640 -1.256 0.000 0.229 248 D C 0.346 176.667 176.300 0.035 0.000 1.061 248 D CA 0.128 54.138 54.000 0.016 0.000 0.875 248 D CB -0.267 40.569 40.800 0.060 0.000 0.904 248 D HN 0.075 nan 8.370 nan 0.000 0.525 249 Q N -1.693 118.122 119.800 0.025 0.000 2.424 249 Q HA -0.146 3.440 4.340 -1.256 0.000 0.234 249 Q C -0.571 175.471 176.000 0.069 0.000 0.748 249 Q CA 0.867 56.701 55.803 0.051 0.000 1.286 249 Q CB -1.063 27.708 28.738 0.054 0.000 1.494 249 Q HN 0.298 nan 8.270 nan 0.000 0.683 250 K N 0.820 121.265 120.400 0.074 0.000 2.156 250 K HA 0.594 4.160 4.320 -1.256 0.000 0.254 250 K C -0.393 176.250 176.600 0.071 0.000 0.950 250 K CA -0.964 55.360 56.287 0.062 0.000 0.849 250 K CB 1.695 34.244 32.500 0.081 0.000 1.100 250 K HN 0.092 nan 8.250 nan 0.000 0.434 251 L N 2.490 123.678 121.223 -0.058 0.000 2.296 251 L HA 0.487 4.073 4.340 -1.256 0.000 0.286 251 L C -0.828 175.970 176.870 -0.119 0.000 1.023 251 L CA -0.049 54.731 54.840 -0.100 0.000 0.812 251 L CB 0.916 42.766 42.059 -0.350 0.000 1.223 251 L HN 0.560 nan 8.230 nan 0.000 0.421 252 M N 5.895 125.480 119.600 -0.026 0.000 2.393 252 M HA 0.492 4.218 4.480 -1.256 0.000 0.316 252 M C -1.177 174.962 176.300 -0.268 0.000 1.087 252 M CA -0.664 54.492 55.300 -0.239 0.000 0.937 252 M CB 2.157 34.548 32.600 -0.347 0.000 1.668 252 M HN 0.374 nan 8.290 nan 0.000 0.438 253 I N 2.135 122.452 120.570 -0.421 0.000 2.362 253 I HA 0.383 3.799 4.170 -1.256 0.000 0.289 253 I C -1.155 174.625 176.117 -0.561 0.000 0.994 253 I CA -0.447 60.674 61.300 -0.298 0.000 1.158 253 I CB 0.881 38.843 38.000 -0.063 0.000 1.315 253 I HN 0.733 nan 8.210 nan 0.000 0.451 254 W N 4.192 125.121 121.300 -0.618 0.000 2.639 254 W HA 0.450 4.358 4.660 -1.252 0.000 0.347 254 W C -0.009 176.205 176.519 -0.508 0.000 1.067 254 W CA -0.395 56.508 57.345 -0.736 0.000 1.218 254 W CB 1.177 29.713 29.460 -1.539 0.000 1.393 254 W HN 0.301 nan 8.180 nan 0.000 0.557 255 D N 0.514 120.921 120.400 0.011 0.000 2.492 255 D HA 0.138 4.024 4.640 -1.256 0.000 0.248 255 D C 0.977 177.423 176.300 0.242 0.000 1.101 255 D CA -0.223 53.821 54.000 0.074 0.000 0.840 255 D CB 1.789 42.599 40.800 0.017 0.000 1.209 255 D HN 0.487 nan 8.370 nan 0.000 0.524 256 T N 1.075 115.823 114.554 0.323 0.000 3.085 256 T HA -0.021 3.575 4.350 -1.256 0.000 0.263 256 T C 1.470 176.340 174.700 0.283 0.000 1.127 256 T CA 0.397 62.749 62.100 0.420 0.000 1.103 256 T CB 0.135 69.309 68.868 0.510 0.000 0.921 256 T HN 0.281 nan 8.240 nan 0.000 0.510 257 R N 2.296 122.921 120.500 0.207 0.000 2.073 257 R HA 0.068 3.654 4.340 -1.256 0.000 0.229 257 R C 1.642 178.015 176.300 0.120 0.000 1.120 257 R CA 0.911 57.099 56.100 0.146 0.000 0.967 257 R CB -0.892 29.479 30.300 0.118 0.000 0.862 257 R HN 0.630 nan 8.270 nan 0.000 0.436 258 S N 1.797 117.572 115.700 0.124 0.000 2.568 258 S HA 0.073 3.790 4.470 -1.256 0.000 0.282 258 S C 0.624 175.280 174.600 0.093 0.000 1.338 258 S CA -0.548 57.708 58.200 0.094 0.000 1.045 258 S CB 0.751 64.002 63.200 0.086 0.000 0.873 258 S HN 0.114 nan 8.310 nan 0.000 0.516 259 N N 0.740 119.474 118.700 0.057 0.000 2.434 259 N HA 0.090 4.076 4.740 -1.256 0.000 0.196 259 N C 0.019 175.546 175.510 0.029 0.000 1.183 259 N CA 0.274 53.345 53.050 0.035 0.000 0.849 259 N CB 0.218 38.717 38.487 0.020 0.000 0.992 259 N HN 0.758 nan 8.380 nan 0.000 0.460 260 T N -0.851 113.739 114.554 0.061 0.000 2.855 260 T HA 0.369 3.965 4.350 -1.256 0.000 0.281 260 T C 0.888 175.671 174.700 0.137 0.000 1.007 260 T CA -0.514 61.629 62.100 0.072 0.000 1.009 260 T CB 1.084 69.994 68.868 0.070 0.000 0.983 260 T HN 0.187 nan 8.240 nan 0.000 0.455 261 T N -0.379 114.225 114.554 0.084 0.000 3.043 261 T HA 0.173 3.769 4.350 -1.256 0.000 0.272 261 T C 1.491 176.345 174.700 0.257 0.000 0.990 261 T CA 0.320 62.461 62.100 0.069 0.000 0.897 261 T CB -0.072 68.549 68.868 -0.410 0.000 1.111 261 T HN 0.533 nan 8.240 nan 0.000 0.529 262 S N 0.471 116.315 115.700 0.239 0.000 2.502 262 S HA 0.364 4.081 4.470 -1.256 0.000 0.215 262 S C 0.510 175.247 174.600 0.228 0.000 1.009 262 S CA -0.424 57.909 58.200 0.223 0.000 0.908 262 S CB 0.046 63.304 63.200 0.097 0.000 0.801 262 S HN 0.193 nan 8.310 nan 0.000 0.505 263 K N 2.749 123.257 120.400 0.180 0.000 2.507 263 K HA 0.469 4.036 4.320 -1.256 0.000 0.252 263 K C -3.139 173.281 176.600 -0.300 0.000 0.943 263 K CA -1.871 54.371 56.287 -0.075 0.000 0.808 263 K CB 2.372 34.827 32.500 -0.075 0.000 1.142 263 K HN 0.159 nan 8.250 nan 0.000 0.426 264 P HA 0.176 nan 4.420 nan 0.000 0.274 264 P C 0.392 177.318 177.300 -0.624 0.000 1.256 264 P CA -0.279 62.093 63.100 -1.213 0.000 0.795 264 P CB 0.912 31.548 31.700 -1.774 0.000 1.038 265 S N -0.858 114.524 115.700 -0.530 0.000 2.383 265 S HA -0.063 3.654 4.470 -1.256 0.000 0.227 265 S C 0.656 174.827 174.600 -0.715 0.000 1.026 265 S CA 1.082 58.990 58.200 -0.487 0.000 0.981 265 S CB -0.505 62.488 63.200 -0.345 0.000 0.818 265 S HN 0.543 nan 8.310 nan 0.000 0.472 266 H N -0.858 117.999 119.070 -0.355 0.000 2.679 266 H HA 0.469 4.270 4.556 -1.257 0.000 0.360 266 H C -1.203 173.913 175.328 -0.353 0.000 1.105 266 H CA -0.524 55.351 56.048 -0.290 0.000 1.196 266 H CB 1.583 31.212 29.762 -0.220 0.000 1.636 266 H HN 0.096 nan 8.280 nan 0.000 0.531 267 L N 3.710 124.828 121.223 -0.174 0.000 2.319 267 L HA 0.411 3.997 4.340 -1.256 0.000 0.281 267 L C -1.113 175.662 176.870 -0.157 0.000 1.005 267 L CA -0.810 53.906 54.840 -0.206 0.000 0.828 267 L CB 0.914 42.852 42.059 -0.201 0.000 1.227 267 L HN 0.289 nan 8.230 nan 0.000 0.415 268 V N 3.017 122.811 119.914 -0.200 0.000 2.448 268 V HA 0.272 3.638 4.120 -1.256 0.000 0.295 268 V C -0.750 175.236 176.094 -0.181 0.000 1.025 268 V CA -0.706 61.448 62.300 -0.243 0.000 0.859 268 V CB 1.859 33.382 31.823 -0.500 0.000 0.988 268 V HN 0.630 nan 8.190 nan 0.000 0.431 269 D N 3.884 124.226 120.400 -0.098 0.000 2.470 269 D HA 0.421 4.307 4.640 -1.256 0.000 0.226 269 D C 0.971 177.277 176.300 0.010 0.000 1.196 269 D CA 0.237 54.221 54.000 -0.028 0.000 0.979 269 D CB 1.357 42.159 40.800 0.004 0.000 1.059 269 D HN 0.672 nan 8.370 nan 0.000 0.515 270 A N 2.554 125.366 122.820 -0.013 0.000 1.935 270 A HA 0.037 3.603 4.320 -1.256 0.000 0.214 270 A C 0.416 177.975 177.584 -0.041 0.000 1.178 270 A CA 1.151 53.231 52.037 0.071 0.000 0.640 270 A CB -0.003 19.004 19.000 0.011 0.000 0.825 270 A HN 0.563 nan 8.150 nan 0.000 0.447 271 H N -3.655 115.494 119.070 0.132 0.000 2.966 271 H HA 0.399 4.203 4.556 -1.254 0.000 0.330 271 H C 0.501 175.855 175.328 0.043 0.000 1.292 271 H CA 0.125 56.225 56.048 0.087 0.000 1.127 271 H CB 1.264 31.062 29.762 0.059 0.000 1.863 271 H HN 0.039 nan 8.280 nan 0.000 0.543 272 T N -1.754 112.905 114.554 0.175 0.000 3.145 272 T HA 0.718 4.314 4.350 -1.256 0.000 0.255 272 T C 0.396 175.133 174.700 0.062 0.000 1.039 272 T CA 0.300 62.452 62.100 0.087 0.000 0.928 272 T CB -0.105 68.798 68.868 0.058 0.000 1.029 272 T HN 0.616 nan 8.240 nan 0.000 0.554 273 A N 1.360 124.220 122.820 0.067 0.000 2.568 273 A HA 0.621 4.187 4.320 -1.256 0.000 0.291 273 A C -0.987 176.583 177.584 -0.023 0.000 1.159 273 A CA -1.118 50.922 52.037 0.005 0.000 0.679 273 A CB 0.677 19.660 19.000 -0.028 0.000 1.285 273 A HN 0.327 nan 8.150 nan 0.000 0.428 274 E N 0.747 120.908 120.200 -0.064 0.000 2.502 274 E HA 0.211 3.807 4.350 -1.256 0.000 0.261 274 E C -0.551 175.955 176.600 -0.155 0.000 0.974 274 E CA 0.078 56.422 56.400 -0.093 0.000 0.936 274 E CB 0.006 29.643 29.700 -0.104 0.000 0.926 274 E HN 0.380 nan 8.360 nan 0.000 0.459 275 V N 3.393 123.232 119.914 -0.125 0.000 2.407 275 V HA 0.079 3.445 4.120 -1.256 0.000 0.278 275 V C 0.878 176.873 176.094 -0.164 0.000 1.037 275 V CA -0.733 61.471 62.300 -0.161 0.000 0.900 275 V CB 0.995 32.796 31.823 -0.036 0.000 0.983 275 V HN 0.600 nan 8.190 nan 0.000 0.459 276 N N 2.206 120.777 118.700 -0.214 0.000 2.368 276 N HA 0.137 4.123 4.740 -1.256 0.000 0.178 276 N C 0.206 175.659 175.510 -0.095 0.000 1.076 276 N CA 0.643 53.585 53.050 -0.180 0.000 0.889 276 N CB 0.779 39.055 38.487 -0.352 0.000 1.040 276 N HN 0.839 nan 8.380 nan 0.000 0.463 277 C N -0.098 119.144 119.300 -0.096 0.000 3.288 277 C HA 0.853 4.559 4.460 -1.256 0.000 0.318 277 C C -0.823 174.143 174.990 -0.040 0.000 1.356 277 C CA -1.554 57.428 59.018 -0.060 0.000 1.359 277 C CB 0.853 28.547 27.740 -0.076 0.000 1.688 277 C HN 0.226 nan 8.230 nan 0.000 0.467 278 L N -0.375 120.830 121.223 -0.031 0.000 2.465 278 L HA 0.958 4.544 4.340 -1.256 0.000 0.257 278 L C -0.800 176.059 176.870 -0.017 0.000 0.988 278 L CA -0.231 54.592 54.840 -0.029 0.000 0.827 278 L CB 1.917 43.943 42.059 -0.055 0.000 1.397 278 L HN 0.997 nan 8.230 nan 0.000 0.410 279 S N 1.167 116.871 115.700 0.006 0.000 2.649 279 S HA 0.660 4.376 4.470 -1.256 0.000 0.274 279 S C -1.269 173.529 174.600 0.330 0.000 1.176 279 S CA -0.408 57.904 58.200 0.187 0.000 0.988 279 S CB 0.740 64.049 63.200 0.182 0.000 1.071 279 S HN 0.512 nan 8.310 nan 0.000 0.478 280 F N 3.770 123.920 119.950 0.334 0.000 2.399 280 F HA 0.370 4.141 4.527 -1.260 0.000 0.342 280 F C 1.271 177.029 175.800 -0.070 0.000 1.106 280 F CA -0.407 57.681 58.000 0.147 0.000 1.196 280 F CB 0.705 39.686 39.000 -0.031 0.000 1.163 280 F HN 0.537 nan 8.300 nan 0.000 0.547 281 N N 5.097 123.593 118.700 -0.339 0.000 2.475 281 N HA 0.056 4.043 4.740 -1.256 0.000 0.267 281 N C -1.763 173.529 175.510 -0.364 0.000 1.169 281 N CA -1.229 51.300 53.050 -0.868 0.000 0.947 281 N CB 1.278 39.112 38.487 -1.087 0.000 1.061 281 N HN 0.242 nan 8.380 nan 0.000 0.466 282 P HA -0.016 nan 4.420 nan 0.000 0.241 282 P C 0.121 177.121 177.300 -0.499 0.000 1.191 282 P CA 0.947 63.833 63.100 -0.356 0.000 0.771 282 P CB 0.058 31.520 31.700 -0.396 0.000 0.929 283 Y N -1.277 118.891 120.300 -0.220 0.000 2.498 283 Y HA 0.265 4.062 4.550 -1.256 0.000 0.259 283 Y C 1.259 177.068 175.900 -0.151 0.000 1.086 283 Y CA 0.053 58.054 58.100 -0.165 0.000 1.287 283 Y CB 0.522 38.891 38.460 -0.152 0.000 1.146 283 Y HN -0.155 nan 8.280 nan 0.000 0.523 284 S N 0.501 116.165 115.700 -0.061 0.000 2.640 284 S HA 0.216 3.932 4.470 -1.256 0.000 0.320 284 S C 0.110 174.644 174.600 -0.110 0.000 1.097 284 S CA -0.644 57.523 58.200 -0.055 0.000 1.092 284 S CB 0.575 63.767 63.200 -0.013 0.000 0.988 284 S HN 0.296 nan 8.310 nan 0.000 0.470 285 E N 3.469 123.543 120.200 -0.211 0.000 2.515 285 E HA 0.044 3.640 4.350 -1.256 0.000 0.201 285 E C 0.207 176.723 176.600 -0.140 0.000 1.071 285 E CA 0.916 57.171 56.400 -0.242 0.000 0.880 285 E CB -0.144 29.362 29.700 -0.323 0.000 0.828 285 E HN 0.778 nan 8.360 nan 0.000 0.540 286 F N 0.126 120.181 119.950 0.175 0.000 2.727 286 F HA 0.281 4.054 4.527 -1.256 0.000 0.302 286 F C 1.051 176.961 175.800 0.183 0.000 1.107 286 F CA -0.782 57.329 58.000 0.185 0.000 1.277 286 F CB 0.607 39.674 39.000 0.112 0.000 1.079 286 F HN -0.038 nan 8.300 nan 0.000 0.594 287 I N 0.100 120.833 120.570 0.272 0.000 2.498 287 I HA 0.597 4.014 4.170 -1.256 0.000 0.301 287 I C -1.279 174.963 176.117 0.207 0.000 0.984 287 I CA -0.612 60.818 61.300 0.216 0.000 1.204 287 I CB 2.399 40.472 38.000 0.121 0.000 1.362 287 I HN -0.084 nan 8.210 nan 0.000 0.471 288 L N 5.790 127.193 121.223 0.300 0.000 2.434 288 L HA 0.848 4.434 4.340 -1.256 0.000 0.260 288 L C -0.955 176.202 176.870 0.478 0.000 0.983 288 L CA -0.697 54.293 54.840 0.251 0.000 0.820 288 L CB 2.098 44.183 42.059 0.044 0.000 1.361 288 L HN 0.939 nan 8.230 nan 0.000 0.410 289 A N 1.787 124.885 122.820 0.464 0.000 2.355 289 A HA 0.862 4.428 4.320 -1.256 0.000 0.324 289 A C -0.822 176.899 177.584 0.228 0.000 1.117 289 A CA -0.404 51.831 52.037 0.331 0.000 0.785 289 A CB 1.923 20.940 19.000 0.028 0.000 1.254 289 A HN 0.600 nan 8.150 nan 0.000 0.453 290 T N 0.351 115.073 114.554 0.281 0.000 2.912 290 T HA 0.677 4.274 4.350 -1.256 0.000 0.299 290 T C -0.119 174.688 174.700 0.179 0.000 1.052 290 T CA -0.025 62.242 62.100 0.278 0.000 0.996 290 T CB 1.767 70.961 68.868 0.544 0.000 1.070 290 T HN 1.238 nan 8.240 nan 0.000 0.465 291 G N 0.918 109.714 108.800 -0.007 0.000 2.513 291 G HA2 0.640 3.846 3.960 -1.256 0.000 0.317 291 G HA3 0.640 3.846 3.960 -1.256 0.000 0.317 291 G C -0.981 173.709 174.900 -0.350 0.000 1.277 291 G CA -0.456 44.553 45.100 -0.151 0.000 0.955 291 G HN 0.711 nan 8.290 nan 0.000 0.484 292 S N 0.058 115.472 115.700 -0.476 0.000 2.661 292 S HA 0.655 4.371 4.470 -1.256 0.000 0.285 292 S C 1.186 175.552 174.600 -0.390 0.000 1.138 292 S CA 0.318 58.183 58.200 -0.558 0.000 0.855 292 S CB 1.629 64.221 63.200 -1.014 0.000 1.136 292 S HN 1.370 nan 8.310 nan 0.000 0.484 293 A N 1.026 123.646 122.820 -0.334 0.000 2.167 293 A HA 0.073 3.639 4.320 -1.256 0.000 0.214 293 A C 1.147 178.646 177.584 -0.142 0.000 1.151 293 A CA 1.425 53.309 52.037 -0.255 0.000 0.735 293 A CB -0.774 18.097 19.000 -0.215 0.000 0.802 293 A HN 0.880 nan 8.150 nan 0.000 0.467 294 D N -1.054 119.277 120.400 -0.116 0.000 2.338 294 D HA -0.015 3.871 4.640 -1.256 0.000 0.239 294 D C 0.522 176.817 176.300 -0.009 0.000 1.095 294 D CA 0.288 54.270 54.000 -0.029 0.000 0.888 294 D CB -0.466 40.356 40.800 0.037 0.000 0.899 294 D HN 0.429 nan 8.370 nan 0.000 0.525 295 K N -1.449 118.924 120.400 -0.045 0.000 3.446 295 K HA -0.150 3.416 4.320 -1.256 0.000 0.312 295 K C -0.152 176.492 176.600 0.074 0.000 1.329 295 K CA 1.233 57.530 56.287 0.017 0.000 0.935 295 K CB -2.436 30.100 32.500 0.060 0.000 1.281 295 K HN 0.585 nan 8.250 nan 0.000 0.457 296 T N -2.709 111.869 114.554 0.039 0.000 2.924 296 T HA 0.663 4.259 4.350 -1.256 0.000 0.291 296 T C 0.003 174.754 174.700 0.086 0.000 1.045 296 T CA -0.874 61.277 62.100 0.085 0.000 1.015 296 T CB 2.533 71.459 68.868 0.096 0.000 1.103 296 T HN -0.064 nan 8.240 nan 0.000 0.496 297 V N 1.620 121.588 119.914 0.089 0.000 2.435 297 V HA 0.760 4.126 4.120 -1.256 0.000 0.290 297 V C 0.416 176.608 176.094 0.164 0.000 1.030 297 V CA -0.841 61.524 62.300 0.107 0.000 0.881 297 V CB 1.095 32.879 31.823 -0.065 0.000 0.983 297 V HN 1.295 nan 8.190 nan 0.000 0.445 298 A N 5.380 128.313 122.820 0.189 0.000 2.330 298 A HA 0.807 4.373 4.320 -1.256 0.000 0.327 298 A C -0.790 176.691 177.584 -0.171 0.000 1.155 298 A CA -0.576 51.387 52.037 -0.124 0.000 0.803 298 A CB 0.894 19.718 19.000 -0.294 0.000 1.208 298 A HN 0.800 nan 8.150 nan 0.000 0.477 299 L N 1.607 122.645 121.223 -0.308 0.000 2.307 299 L HA 0.497 4.083 4.340 -1.256 0.000 0.282 299 L C -1.122 175.477 176.870 -0.450 0.000 1.051 299 L CA -0.220 54.554 54.840 -0.111 0.000 0.804 299 L CB 1.135 43.257 42.059 0.106 0.000 1.197 299 L HN 0.863 nan 8.230 nan 0.000 0.431 300 W N 2.276 123.658 121.300 0.137 0.000 2.936 300 W HA 0.349 4.254 4.660 -1.257 0.000 0.338 300 W C -0.560 176.016 176.519 0.096 0.000 1.121 300 W CA -0.555 56.835 57.345 0.075 0.000 1.209 300 W CB 1.558 31.041 29.460 0.039 0.000 1.420 300 W HN 0.263 nan 8.180 nan 0.000 0.516 301 D N 2.106 122.700 120.400 0.323 0.000 2.408 301 D HA 0.256 4.142 4.640 -1.256 0.000 0.243 301 D C 0.542 176.949 176.300 0.179 0.000 1.075 301 D CA -0.322 53.812 54.000 0.223 0.000 0.832 301 D CB 1.919 42.794 40.800 0.124 0.000 1.162 301 D HN 0.435 nan 8.370 nan 0.000 0.515 302 L N 3.174 124.525 121.223 0.214 0.000 2.265 302 L HA -0.117 3.469 4.340 -1.256 0.000 0.215 302 L C 2.030 178.898 176.870 -0.004 0.000 1.117 302 L CA 0.900 55.816 54.840 0.127 0.000 0.782 302 L CB -0.009 42.222 42.059 0.287 0.000 0.914 302 L HN 0.242 nan 8.230 nan 0.000 0.441 303 R N -0.433 120.051 120.500 -0.026 0.000 2.235 303 R HA 0.003 3.590 4.340 -1.256 0.000 0.213 303 R C 0.561 176.811 176.300 -0.084 0.000 1.059 303 R CA 0.546 56.573 56.100 -0.121 0.000 0.997 303 R CB -0.161 29.968 30.300 -0.285 0.000 0.884 303 R HN 0.309 nan 8.270 nan 0.000 0.462 304 N N -0.225 118.445 118.700 -0.049 0.000 2.747 304 N HA 0.097 4.083 4.740 -1.256 0.000 0.262 304 N C -0.497 175.031 175.510 0.029 0.000 1.261 304 N CA -0.127 52.911 53.050 -0.020 0.000 0.809 304 N CB 0.734 39.213 38.487 -0.012 0.000 1.450 304 N HN -0.033 nan 8.380 nan 0.000 0.560 305 L N 2.194 123.417 121.223 -0.001 0.000 2.592 305 L HA 0.182 3.768 4.340 -1.256 0.000 0.227 305 L C 1.958 178.903 176.870 0.124 0.000 1.127 305 L CA 0.066 54.941 54.840 0.060 0.000 0.884 305 L CB -0.004 41.984 42.059 -0.118 0.000 1.065 305 L HN 0.380 nan 8.230 nan 0.000 0.457 306 K N 0.670 121.121 120.400 0.084 0.000 2.288 306 K HA 0.104 3.670 4.320 -1.256 0.000 0.201 306 K C 0.531 177.200 176.600 0.115 0.000 1.048 306 K CA 0.735 57.073 56.287 0.085 0.000 0.956 306 K CB 0.059 32.585 32.500 0.043 0.000 0.746 306 K HN 0.296 nan 8.250 nan 0.000 0.461 307 L N 2.060 123.356 121.223 0.120 0.000 2.295 307 L HA 0.290 3.877 4.340 -1.256 0.000 0.281 307 L C 0.140 177.032 176.870 0.037 0.000 1.018 307 L CA -0.634 54.243 54.840 0.062 0.000 0.841 307 L CB 1.386 43.457 42.059 0.020 0.000 1.218 307 L HN -0.123 nan 8.230 nan 0.000 0.424 308 K N 2.254 122.591 120.400 -0.106 0.000 2.419 308 K HA 0.033 3.599 4.320 -1.256 0.000 0.282 308 K C 0.839 177.215 176.600 -0.373 0.000 1.056 308 K CA -0.447 55.499 56.287 -0.569 0.000 1.035 308 K CB 0.810 32.847 32.500 -0.772 0.000 0.921 308 K HN 0.465 nan 8.250 nan 0.000 0.472 309 L N 3.511 124.534 121.223 -0.335 0.000 2.017 309 L HA -0.083 3.503 4.340 -1.256 0.000 0.208 309 L C 0.760 177.548 176.870 -0.136 0.000 1.073 309 L CA 1.742 56.487 54.840 -0.159 0.000 0.745 309 L CB -0.731 41.287 42.059 -0.067 0.000 0.894 309 L HN 0.809 nan 8.230 nan 0.000 0.432 310 H N -3.141 115.695 119.070 -0.390 0.000 3.037 310 H HA 0.426 4.228 4.556 -1.257 0.000 0.336 310 H C -1.314 173.698 175.328 -0.526 0.000 1.323 310 H CA -0.854 54.927 56.048 -0.445 0.000 1.159 310 H CB 1.165 30.622 29.762 -0.508 0.000 1.882 310 H HN -0.210 nan 8.280 nan 0.000 0.535 311 T N 3.849 117.625 114.554 -1.295 0.000 2.847 311 T HA 0.357 3.953 4.350 -1.256 0.000 0.291 311 T C -1.045 173.030 174.700 -1.042 0.000 0.998 311 T CA -0.470 61.107 62.100 -0.872 0.000 0.967 311 T CB -0.047 68.517 68.868 -0.506 0.000 0.954 311 T HN 0.275 nan 8.240 nan 0.000 0.441 312 F N 2.561 122.195 119.950 -0.527 0.000 2.404 312 F HA 0.393 4.166 4.527 -1.256 0.000 0.358 312 F C 1.084 176.668 175.800 -0.360 0.000 1.120 312 F CA -0.695 56.938 58.000 -0.611 0.000 1.144 312 F CB 0.769 38.993 39.000 -1.293 0.000 1.133 312 F HN 0.424 nan 8.300 nan 0.000 0.495 313 E N 1.423 121.646 120.200 0.038 0.000 2.199 313 E HA 0.542 4.139 4.350 -1.256 0.000 0.269 313 E C 0.073 176.900 176.600 0.380 0.000 0.899 313 E CA -0.465 56.039 56.400 0.174 0.000 0.772 313 E CB 2.095 31.841 29.700 0.077 0.000 1.155 313 E HN 0.605 nan 8.360 nan 0.000 0.408 314 S N 1.556 117.460 115.700 0.341 0.000 1.409 314 S HA -0.076 3.640 4.470 -1.256 0.000 0.128 314 S C -0.544 174.133 174.600 0.127 0.000 0.536 314 S CA -0.213 58.126 58.200 0.231 0.000 1.628 314 S CB -0.548 62.799 63.200 0.245 0.000 0.870 314 S HN 0.656 nan 8.310 nan 0.000 0.292 315 H N 2.442 121.652 119.070 0.233 0.000 2.928 315 H HA 0.299 4.104 4.556 -1.253 0.000 0.338 315 H C 1.011 176.394 175.328 0.091 0.000 1.047 315 H CA 0.978 57.116 56.048 0.150 0.000 1.435 315 H CB 0.779 30.639 29.762 0.163 0.000 1.428 315 H HN 0.237 nan 8.280 nan 0.000 0.590 316 K N 1.509 122.030 120.400 0.203 0.000 2.404 316 K HA 0.057 3.623 4.320 -1.256 0.000 0.194 316 K C -0.105 176.556 176.600 0.100 0.000 1.023 316 K CA 0.291 56.648 56.287 0.117 0.000 1.094 316 K CB 0.635 33.181 32.500 0.077 0.000 0.841 316 K HN 0.545 nan 8.250 nan 0.000 0.523 317 D N -0.011 120.459 120.400 0.117 0.000 2.838 317 D HA 0.095 3.981 4.640 -1.256 0.000 0.334 317 D C -1.188 175.115 176.300 0.006 0.000 1.315 317 D CA -0.626 53.411 54.000 0.063 0.000 0.917 317 D CB 1.080 41.924 40.800 0.073 0.000 1.435 317 D HN -0.139 nan 8.370 nan 0.000 0.517 318 E N 0.573 120.753 120.200 -0.034 0.000 2.529 318 E HA 0.088 3.684 4.350 -1.256 0.000 0.259 318 E C -0.184 176.262 176.600 -0.258 0.000 0.966 318 E CA 0.501 56.783 56.400 -0.196 0.000 0.937 318 E CB 0.514 30.068 29.700 -0.244 0.000 0.923 318 E HN 0.211 nan 8.360 nan 0.000 0.468 319 I N 3.908 124.247 120.570 -0.386 0.000 2.342 319 I HA 0.058 3.474 4.170 -1.256 0.000 0.291 319 I C 0.395 176.247 176.117 -0.441 0.000 1.010 319 I CA -0.027 61.056 61.300 -0.361 0.000 1.308 319 I CB 0.548 38.353 38.000 -0.325 0.000 1.400 319 I HN 0.589 nan 8.210 nan 0.000 0.488 320 F N 2.756 122.635 119.950 -0.119 0.000 2.680 320 F HA 0.212 3.987 4.527 -1.252 0.000 0.290 320 F C 0.794 176.548 175.800 -0.078 0.000 1.114 320 F CA -0.142 57.795 58.000 -0.106 0.000 1.333 320 F CB 0.577 39.509 39.000 -0.113 0.000 1.091 320 F HN 0.366 nan 8.300 nan 0.000 0.606 321 Q N 0.704 120.589 119.800 0.143 0.000 2.331 321 Q HA 0.603 4.189 4.340 -1.256 0.000 0.272 321 Q C -1.675 174.396 176.000 0.117 0.000 1.062 321 Q CA -0.590 55.264 55.803 0.084 0.000 0.806 321 Q CB 2.536 31.372 28.738 0.164 0.000 1.312 321 Q HN -0.085 nan 8.270 nan 0.000 0.431 322 V N 5.086 124.923 119.914 -0.129 0.000 2.686 322 V HA 0.666 4.032 4.120 -1.256 0.000 0.306 322 V C -1.863 174.039 176.094 -0.320 0.000 1.065 322 V CA -0.295 61.973 62.300 -0.054 0.000 0.894 322 V CB 2.005 33.772 31.823 -0.093 0.000 1.004 322 V HN 0.921 nan 8.190 nan 0.000 0.424 323 H N 4.108 123.345 119.070 0.279 0.000 2.856 323 H HA 0.308 4.108 4.556 -1.261 0.000 0.355 323 H C -1.250 174.288 175.328 0.349 0.000 1.079 323 H CA -0.442 55.784 56.048 0.296 0.000 1.240 323 H CB 1.334 31.284 29.762 0.313 0.000 1.701 323 H HN 0.734 nan 8.280 nan 0.000 0.527 324 W N 1.409 122.903 121.300 0.322 0.000 2.170 324 W HA 0.184 4.089 4.660 -1.257 0.000 0.336 324 W C 1.141 177.445 176.519 -0.359 0.000 1.283 324 W CA -0.021 57.364 57.345 0.068 0.000 1.224 324 W CB 0.599 30.085 29.460 0.044 0.000 1.132 324 W HN 0.390 nan 8.180 nan 0.000 0.571 325 S N 3.597 118.988 115.700 -0.514 0.000 2.549 325 S HA 0.090 3.807 4.470 -1.256 0.000 0.283 325 S C -1.023 173.268 174.600 -0.516 0.000 1.320 325 S CA -1.101 56.353 58.200 -1.242 0.000 1.058 325 S CB 0.650 63.089 63.200 -1.268 0.000 0.882 325 S HN 0.318 nan 8.310 nan 0.000 0.498 326 P HA 0.127 nan 4.420 nan 0.000 0.249 326 P C -0.086 176.954 177.300 -0.432 0.000 1.229 326 P CA 0.724 63.575 63.100 -0.415 0.000 0.788 326 P CB -0.040 31.376 31.700 -0.472 0.000 1.072 327 H N -1.683 117.297 119.070 -0.150 0.000 2.927 327 H HA 0.257 4.060 4.556 -1.256 0.000 0.255 327 H C 0.098 175.300 175.328 -0.211 0.000 0.974 327 H CA -0.033 55.947 56.048 -0.114 0.000 1.199 327 H CB 0.290 29.901 29.762 -0.252 0.000 1.447 327 H HN 0.080 nan 8.280 nan 0.000 0.467 328 N N 1.092 119.648 118.700 -0.239 0.000 2.448 328 N HA 0.060 4.046 4.740 -1.256 0.000 0.279 328 N C 0.182 175.541 175.510 -0.252 0.000 1.025 328 N CA -0.318 52.548 53.050 -0.307 0.000 0.898 328 N CB 1.879 40.181 38.487 -0.308 0.000 1.303 328 N HN 0.334 nan 8.380 nan 0.000 0.495 329 E N 0.098 120.047 120.200 -0.418 0.000 2.268 329 E HA -0.177 3.419 4.350 -1.256 0.000 0.195 329 E C 0.780 177.377 176.600 -0.005 0.000 0.995 329 E CA 1.242 57.497 56.400 -0.242 0.000 0.836 329 E CB -0.190 29.270 29.700 -0.401 0.000 0.763 329 E HN 0.616 nan 8.360 nan 0.000 0.491 330 T N -1.014 113.565 114.554 0.040 0.000 3.086 330 T HA 0.227 3.823 4.350 -1.256 0.000 0.250 330 T C 0.623 175.492 174.700 0.282 0.000 1.074 330 T CA -0.408 61.806 62.100 0.190 0.000 0.988 330 T CB 0.006 68.959 68.868 0.141 0.000 0.988 330 T HN -0.045 nan 8.240 nan 0.000 0.530 331 I N 2.049 122.744 120.570 0.209 0.000 2.336 331 I HA 0.524 3.940 4.170 -1.256 0.000 0.292 331 I C -0.280 175.960 176.117 0.205 0.000 0.991 331 I CA -1.567 59.829 61.300 0.160 0.000 1.227 331 I CB 1.387 39.318 38.000 -0.115 0.000 1.366 331 I HN 0.292 nan 8.210 nan 0.000 0.466 332 L N 5.034 126.376 121.223 0.198 0.000 2.388 332 L HA 0.840 4.426 4.340 -1.256 0.000 0.264 332 L C -0.841 176.254 176.870 0.374 0.000 0.998 332 L CA -0.521 54.332 54.840 0.023 0.000 0.817 332 L CB 2.350 44.088 42.059 -0.536 0.000 1.338 332 L HN 0.729 nan 8.230 nan 0.000 0.414 333 A N 2.034 125.153 122.820 0.498 0.000 2.435 333 A HA 0.873 4.439 4.320 -1.256 0.000 0.304 333 A C -0.934 176.946 177.584 0.492 0.000 1.064 333 A CA -0.346 51.999 52.037 0.514 0.000 0.727 333 A CB 1.992 21.266 19.000 0.457 0.000 1.284 333 A HN 0.678 nan 8.150 nan 0.000 0.415 334 S N 0.233 116.174 115.700 0.402 0.000 2.588 334 S HA 0.921 4.638 4.470 -1.256 0.000 0.275 334 S C -0.448 174.351 174.600 0.332 0.000 1.130 334 S CA 0.075 58.531 58.200 0.426 0.000 0.855 334 S CB 1.549 65.043 63.200 0.490 0.000 1.116 334 S HN 2.228 nan 8.310 nan 0.000 0.472 335 S N 0.003 115.846 115.700 0.237 0.000 2.656 335 S HA 1.018 4.735 4.470 -1.256 0.000 0.273 335 S C 0.015 174.658 174.600 0.071 0.000 1.168 335 S CA -0.245 58.065 58.200 0.183 0.000 0.817 335 S CB 0.983 64.314 63.200 0.219 0.000 1.146 335 S HN 2.205 nan 8.310 nan 0.000 0.475 336 G N 0.141 109.005 108.800 0.107 0.000 2.552 336 G HA2 0.324 3.531 3.960 -1.256 0.000 0.137 336 G HA3 0.324 3.531 3.960 -1.256 0.000 0.137 336 G C 0.231 175.223 174.900 0.154 0.000 1.135 336 G CA 0.280 45.488 45.100 0.179 0.000 1.047 336 G HN 0.908 nan 8.290 nan 0.000 0.501 337 T N 1.633 116.301 114.554 0.191 0.000 2.995 337 T HA 0.039 3.635 4.350 -1.256 0.000 0.269 337 T C 1.545 176.295 174.700 0.085 0.000 1.091 337 T CA 1.775 63.955 62.100 0.132 0.000 1.128 337 T CB -0.258 68.715 68.868 0.175 0.000 0.891 337 T HN 0.616 nan 8.240 nan 0.000 0.492 338 D N 1.373 121.835 120.400 0.102 0.000 2.324 338 D HA -0.038 3.848 4.640 -1.256 0.000 0.235 338 D C 0.736 177.072 176.300 0.060 0.000 1.095 338 D CA -0.141 53.912 54.000 0.089 0.000 0.871 338 D CB -0.492 40.386 40.800 0.129 0.000 0.906 338 D HN 0.325 nan 8.370 nan 0.000 0.522 339 R N -1.230 119.299 120.500 0.049 0.000 4.000 339 R HA -0.161 3.425 4.340 -1.256 0.000 0.362 339 R C -0.221 176.090 176.300 0.018 0.000 1.183 339 R CA 0.812 56.923 56.100 0.017 0.000 1.011 339 R CB -1.494 28.801 30.300 -0.008 0.000 1.501 339 R HN 0.216 nan 8.270 nan 0.000 0.553 340 R N 0.746 121.286 120.500 0.066 0.000 2.732 340 R HA 0.539 4.125 4.340 -1.256 0.000 0.278 340 R C -0.384 176.009 176.300 0.155 0.000 0.976 340 R CA -0.984 55.150 56.100 0.056 0.000 0.963 340 R CB 1.418 31.732 30.300 0.022 0.000 1.150 340 R HN 0.091 nan 8.270 nan 0.000 0.478 341 L N 2.027 123.335 121.223 0.141 0.000 2.349 341 L HA 0.433 4.019 4.340 -1.256 0.000 0.278 341 L C -0.819 176.108 176.870 0.095 0.000 0.996 341 L CA -0.325 54.610 54.840 0.158 0.000 0.825 341 L CB 1.245 43.419 42.059 0.192 0.000 1.243 341 L HN 0.553 nan 8.230 nan 0.000 0.412 342 N N 3.679 122.400 118.700 0.034 0.000 2.421 342 N HA 0.482 4.468 4.740 -1.256 0.000 0.285 342 N C -1.240 174.128 175.510 -0.237 0.000 1.027 342 N CA -0.764 52.135 53.050 -0.252 0.000 0.918 342 N CB 2.409 40.511 38.487 -0.641 0.000 1.152 342 N HN 0.218 nan 8.380 nan 0.000 0.485 343 V N 2.169 121.970 119.914 -0.187 0.000 2.398 343 V HA 0.402 3.768 4.120 -1.256 0.000 0.286 343 V C -0.786 175.214 176.094 -0.156 0.000 1.026 343 V CA -0.674 61.647 62.300 0.035 0.000 0.868 343 V CB 0.399 32.453 31.823 0.386 0.000 0.982 343 V HN 0.625 nan 8.190 nan 0.000 0.443 344 W N 1.860 123.260 121.300 0.166 0.000 2.627 344 W HA 0.616 4.521 4.660 -1.260 0.000 0.339 344 W C -0.298 176.325 176.519 0.174 0.000 1.058 344 W CA -0.566 56.842 57.345 0.105 0.000 1.223 344 W CB 1.161 30.504 29.460 -0.195 0.000 1.389 344 W HN 0.397 nan 8.180 nan 0.000 0.541 345 D N 2.449 123.122 120.400 0.455 0.000 2.462 345 D HA 0.236 4.122 4.640 -1.256 0.000 0.245 345 D C 0.779 177.291 176.300 0.355 0.000 1.122 345 D CA -0.265 53.954 54.000 0.365 0.000 0.864 345 D CB 1.260 42.248 40.800 0.314 0.000 1.098 345 D HN 0.385 nan 8.370 nan 0.000 0.541 346 L N 2.205 123.633 121.223 0.343 0.000 2.191 346 L HA -0.144 3.442 4.340 -1.256 0.000 0.212 346 L C 2.088 179.059 176.870 0.169 0.000 1.103 346 L CA 1.064 56.083 54.840 0.297 0.000 0.769 346 L CB -0.642 41.607 42.059 0.317 0.000 0.908 346 L HN 0.366 nan 8.230 nan 0.000 0.438 347 S N -0.842 114.957 115.700 0.165 0.000 2.603 347 S HA -0.070 3.646 4.470 -1.256 0.000 0.229 347 S C 1.413 176.075 174.600 0.103 0.000 0.972 347 S CA 0.434 58.702 58.200 0.114 0.000 0.935 347 S CB -0.157 63.110 63.200 0.111 0.000 0.769 347 S HN 0.466 nan 8.310 nan 0.000 0.536 348 K N 0.352 120.828 120.400 0.126 0.000 2.413 348 K HA 0.384 3.950 4.320 -1.256 0.000 0.204 348 K C -0.331 176.323 176.600 0.089 0.000 1.041 348 K CA -0.242 56.114 56.287 0.114 0.000 1.082 348 K CB 0.405 32.995 32.500 0.150 0.000 0.871 348 K HN 0.414 nan 8.250 nan 0.000 0.535 349 I N 1.279 121.873 120.570 0.040 0.000 2.618 349 I HA -0.073 3.343 4.170 -1.256 0.000 0.284 349 I C 1.346 177.456 176.117 -0.011 0.000 1.146 349 I CA 0.909 62.185 61.300 -0.040 0.000 1.425 349 I CB 0.531 38.374 38.000 -0.263 0.000 1.383 349 I HN 0.484 nan 8.210 nan 0.000 0.562 350 G N 4.147 112.956 108.800 0.016 0.000 2.205 350 G HA2 -0.309 2.897 3.960 -1.256 0.000 0.261 350 G HA3 -0.309 2.897 3.960 -1.256 0.000 0.261 350 G C 0.324 175.242 174.900 0.030 0.000 0.980 350 G CA 0.234 45.346 45.100 0.020 0.000 0.632 350 G HN 0.745 nan 8.290 nan 0.000 0.533 351 E N 1.780 122.004 120.200 0.040 0.000 2.376 351 E HA 0.335 3.931 4.350 -1.256 0.000 0.266 351 E C 0.911 177.537 176.600 0.043 0.000 1.009 351 E CA 0.067 56.493 56.400 0.043 0.000 0.902 351 E CB 0.146 29.879 29.700 0.055 0.000 0.972 351 E HN 0.626 nan 8.360 nan 0.000 0.439 352 E N 4.219 124.440 120.200 0.034 0.000 2.376 352 E HA 0.006 3.602 4.350 -1.256 0.000 0.266 352 E C -0.678 175.941 176.600 0.033 0.000 1.009 352 E CA -0.083 56.335 56.400 0.031 0.000 0.902 352 E CB 0.599 30.313 29.700 0.023 0.000 0.972 352 E HN 0.461 nan 8.360 nan 0.000 0.439 353 Q N 2.086 121.906 119.800 0.033 0.000 2.351 353 Q HA 0.376 3.963 4.340 -1.256 0.000 0.273 353 Q C -0.393 175.621 176.000 0.022 0.000 1.077 353 Q CA -1.134 54.688 55.803 0.031 0.000 0.843 353 Q CB 1.630 30.391 28.738 0.037 0.000 1.367 353 Q HN 0.746 nan 8.270 nan 0.000 0.449 354 S N 0.005 115.715 115.700 0.017 0.000 2.589 354 S HA 0.294 4.010 4.470 -1.256 0.000 0.265 354 S C 0.959 175.566 174.600 0.012 0.000 1.342 354 S CA -0.100 58.107 58.200 0.012 0.000 1.005 354 S CB 0.927 64.132 63.200 0.008 0.000 0.909 354 S HN 0.773 nan 8.310 nan 0.000 0.555 355 A N 0.245 123.070 122.820 0.009 0.000 2.019 355 A HA -0.082 3.484 4.320 -1.256 0.000 0.219 355 A C 2.135 179.723 177.584 0.006 0.000 1.164 355 A CA 1.574 53.616 52.037 0.008 0.000 0.644 355 A CB -0.985 18.018 19.000 0.006 0.000 0.805 355 A HN 0.997 nan 8.150 nan 0.000 0.449 356 E N -0.252 119.949 120.200 0.003 0.000 2.072 356 E HA -0.195 3.401 4.350 -1.256 0.000 0.190 356 E C 1.005 177.604 176.600 -0.001 0.000 0.982 356 E CA 1.196 57.595 56.400 -0.002 0.000 0.803 356 E CB -0.080 29.616 29.700 -0.006 0.000 0.755 356 E HN 0.510 nan 8.360 nan 0.000 0.453 357 D N 0.058 120.460 120.400 0.004 0.000 2.224 357 D HA -0.063 3.824 4.640 -1.256 0.000 0.205 357 D C 1.648 177.958 176.300 0.017 0.000 0.965 357 D CA 0.948 54.953 54.000 0.008 0.000 0.852 357 D CB -0.040 40.769 40.800 0.014 0.000 0.947 357 D HN 0.245 nan 8.370 nan 0.000 0.494 358 A N 0.867 123.700 122.820 0.021 0.000 2.067 358 A HA -0.145 3.421 4.320 -1.256 0.000 0.219 358 A C 1.968 179.567 177.584 0.025 0.000 1.158 358 A CA 0.919 52.974 52.037 0.029 0.000 0.661 358 A CB -0.295 18.721 19.000 0.027 0.000 0.801 358 A HN 0.164 nan 8.150 nan 0.000 0.452 359 E N -0.027 120.182 120.200 0.014 0.000 2.152 359 E HA -0.143 3.453 4.350 -1.256 0.000 0.192 359 E C 0.805 177.408 176.600 0.006 0.000 0.983 359 E CA 1.008 57.413 56.400 0.009 0.000 0.818 359 E CB -0.105 29.595 29.700 0.001 0.000 0.758 359 E HN 0.556 nan 8.360 nan 0.000 0.467 360 D N -0.229 120.172 120.400 0.001 0.000 2.277 360 D HA 0.055 3.941 4.640 -1.256 0.000 0.208 360 D C 0.967 177.270 176.300 0.004 0.000 0.962 360 D CA 0.884 54.877 54.000 -0.011 0.000 0.865 360 D CB 0.777 41.561 40.800 -0.025 0.000 0.939 360 D HN 0.203 nan 8.370 nan 0.000 0.510 361 G N 0.414 109.234 108.800 0.034 0.000 2.369 361 G HA2 0.053 3.259 3.960 -1.256 0.000 0.295 361 G HA3 0.053 3.259 3.960 -1.256 0.000 0.295 361 G C -2.989 171.974 174.900 0.106 0.000 1.298 361 G CA -0.999 44.146 45.100 0.075 0.000 0.940 361 G HN -0.203 nan 8.290 nan 0.000 0.536 362 P HA 0.281 nan 4.420 nan 0.000 0.274 362 P C -1.933 175.486 177.300 0.198 0.000 1.237 362 P CA -1.078 62.134 63.100 0.187 0.000 0.793 362 P CB 1.198 33.051 31.700 0.255 0.000 0.977 363 P HA -0.146 nan 4.420 nan 0.000 0.222 363 P C 1.053 178.475 177.300 0.202 0.000 1.147 363 P CA 1.440 64.628 63.100 0.148 0.000 0.790 363 P CB -0.047 31.721 31.700 0.113 0.000 0.780 364 E N -0.216 120.163 120.200 0.298 0.000 2.489 364 E HA -0.033 3.563 4.350 -1.256 0.000 0.193 364 E C 0.586 177.486 176.600 0.500 0.000 1.057 364 E CA -0.209 56.436 56.400 0.408 0.000 0.866 364 E CB -0.643 29.357 29.700 0.499 0.000 0.916 364 E HN 0.201 nan 8.360 nan 0.000 0.500 365 L N 1.991 123.436 121.223 0.370 0.000 2.385 365 L HA 0.109 3.696 4.340 -1.256 0.000 0.281 365 L C 0.846 177.742 176.870 0.044 0.000 1.106 365 L CA -0.087 54.793 54.840 0.067 0.000 0.856 365 L CB 0.641 42.661 42.059 -0.065 0.000 1.186 365 L HN 0.066 nan 8.230 nan 0.000 0.453 366 L N 4.879 126.133 121.223 0.052 0.000 2.145 366 L HA 0.252 3.839 4.340 -1.256 0.000 0.201 366 L C -0.300 176.684 176.870 0.189 0.000 1.075 366 L CA 0.385 55.322 54.840 0.160 0.000 0.773 366 L CB 0.336 42.555 42.059 0.267 0.000 0.936 366 L HN 0.617 nan 8.230 nan 0.000 0.451 367 F N -0.321 119.585 119.950 -0.073 0.000 2.635 367 F HA 0.450 4.222 4.527 -1.258 0.000 0.314 367 F C -1.154 174.577 175.800 -0.114 0.000 1.119 367 F CA -0.857 57.113 58.000 -0.050 0.000 1.000 367 F CB 1.384 40.423 39.000 0.065 0.000 1.278 367 F HN -0.282 nan 8.300 nan 0.000 0.446 368 I N 4.995 125.145 120.570 -0.700 0.000 2.389 368 I HA 0.211 3.627 4.170 -1.256 0.000 0.288 368 I C -1.092 174.643 176.117 -0.636 0.000 0.999 368 I CA -0.843 60.158 61.300 -0.498 0.000 1.129 368 I CB 1.662 39.439 38.000 -0.372 0.000 1.288 368 I HN 0.587 nan 8.210 nan 0.000 0.444 369 H N 5.219 124.094 119.070 -0.324 0.000 2.640 369 H HA 0.426 4.227 4.556 -1.258 0.000 0.297 369 H C 0.595 175.760 175.328 -0.271 0.000 1.073 369 H CA -0.578 55.323 56.048 -0.244 0.000 1.305 369 H CB 1.310 30.858 29.762 -0.358 0.000 1.404 369 H HN 0.673 nan 8.280 nan 0.000 0.459 370 G N 2.766 111.150 108.800 -0.692 0.000 3.805 370 G HA2 0.123 3.330 3.960 -1.256 0.000 0.290 370 G HA3 0.123 3.330 3.960 -1.256 0.000 0.290 370 G C 1.227 175.225 174.900 -1.503 0.000 1.077 370 G CA 0.071 44.699 45.100 -0.786 0.000 0.852 370 G HN 0.765 nan 8.290 nan 0.000 0.531 371 G N -0.387 107.125 108.800 -2.145 0.000 2.712 371 G HA2 0.037 3.243 3.960 -1.256 0.000 0.212 371 G HA3 0.037 3.243 3.960 -1.256 0.000 0.212 371 G C 0.528 174.738 174.900 -1.150 0.000 1.142 371 G CA -0.057 43.613 45.100 -2.383 0.000 0.789 371 G HN 0.437 nan 8.290 nan 0.000 0.535 372 H N -0.122 118.558 119.070 -0.650 0.000 2.481 372 H HA 0.284 4.090 4.556 -1.252 0.000 0.339 372 H C 0.763 175.945 175.328 -0.243 0.000 1.131 372 H CA 0.769 56.636 56.048 -0.302 0.000 1.301 372 H CB 1.781 31.448 29.762 -0.157 0.000 1.476 372 H HN 0.127 nan 8.280 nan 0.000 0.529 373 T N -0.934 113.585 114.554 -0.059 0.000 3.085 373 T HA 0.599 4.196 4.350 -1.256 0.000 0.264 373 T C 0.490 175.161 174.700 -0.048 0.000 1.019 373 T CA -0.136 61.905 62.100 -0.098 0.000 0.910 373 T CB 0.275 69.018 68.868 -0.208 0.000 1.059 373 T HN 0.618 nan 8.240 nan 0.000 0.542 374 A N 0.924 123.736 122.820 -0.015 0.000 2.568 374 A HA 0.696 4.263 4.320 -1.256 0.000 0.291 374 A C -0.871 176.692 177.584 -0.036 0.000 1.159 374 A CA -1.152 50.871 52.037 -0.022 0.000 0.679 374 A CB 1.007 19.993 19.000 -0.023 0.000 1.285 374 A HN 0.271 nan 8.150 nan 0.000 0.428 375 K N 0.740 121.114 120.400 -0.043 0.000 2.484 375 K HA 0.185 3.751 4.320 -1.256 0.000 0.280 375 K C -0.805 175.732 176.600 -0.106 0.000 1.013 375 K CA 0.245 56.498 56.287 -0.056 0.000 1.029 375 K CB -0.084 32.376 32.500 -0.067 0.000 0.902 375 K HN 0.454 nan 8.250 nan 0.000 0.481 376 I N 4.398 124.907 120.570 -0.101 0.000 2.396 376 I HA -0.054 3.362 4.170 -1.256 0.000 0.289 376 I C 1.039 177.121 176.117 -0.059 0.000 1.056 376 I CA -0.037 61.181 61.300 -0.136 0.000 1.365 376 I CB 1.480 39.440 38.000 -0.066 0.000 1.407 376 I HN 0.732 nan 8.210 nan 0.000 0.509 377 S N 3.247 118.905 115.700 -0.070 0.000 2.425 377 S HA 0.023 3.739 4.470 -1.256 0.000 0.225 377 S C 0.237 174.841 174.600 0.006 0.000 1.024 377 S CA 0.476 58.632 58.200 -0.073 0.000 0.951 377 S CB -0.024 63.136 63.200 -0.067 0.000 0.796 377 S HN 0.759 nan 8.310 nan 0.000 0.498 378 D N -1.180 119.271 120.400 0.085 0.000 2.683 378 D HA 0.476 4.362 4.640 -1.256 0.000 0.246 378 D C -1.710 174.747 176.300 0.261 0.000 1.238 378 D CA -0.700 53.385 54.000 0.143 0.000 0.759 378 D CB 1.260 42.106 40.800 0.077 0.000 1.349 378 D HN 0.090 nan 8.370 nan 0.000 0.426 379 F N -0.451 119.583 119.950 0.141 0.000 2.685 379 F HA 0.832 4.607 4.527 -1.253 0.000 0.315 379 F C -1.320 174.524 175.800 0.073 0.000 1.126 379 F CA -0.799 57.264 58.000 0.106 0.000 0.950 379 F CB 1.856 40.926 39.000 0.117 0.000 1.360 379 F HN 0.152 nan 8.300 nan 0.000 0.469 380 S N 0.775 116.563 115.700 0.146 0.000 2.603 380 S HA 0.427 4.144 4.470 -1.256 0.000 0.274 380 S C -2.076 172.742 174.600 0.362 0.000 1.168 380 S CA -0.560 57.701 58.200 0.101 0.000 0.963 380 S CB 0.489 63.788 63.200 0.165 0.000 1.078 380 S HN 0.679 nan 8.310 nan 0.000 0.477 381 W N 4.083 125.515 121.300 0.221 0.000 2.303 381 W HA 0.283 4.188 4.660 -1.258 0.000 0.318 381 W C 1.103 177.585 176.519 -0.061 0.000 1.362 381 W CA -0.106 57.303 57.345 0.106 0.000 1.234 381 W CB 0.388 29.876 29.460 0.047 0.000 1.248 381 W HN 0.611 nan 8.180 nan 0.000 0.546 382 N N 5.872 124.439 118.700 -0.222 0.000 2.434 382 N HA -0.035 3.952 4.740 -1.256 0.000 0.268 382 N C -1.178 174.235 175.510 -0.162 0.000 1.256 382 N CA -0.614 51.948 53.050 -0.814 0.000 0.914 382 N CB 1.177 39.021 38.487 -1.072 0.000 1.088 382 N HN 0.186 nan 8.380 nan 0.000 0.478 383 P HA 0.006 nan 4.420 nan 0.000 0.233 383 P C -0.111 177.281 177.300 0.153 0.000 1.167 383 P CA 1.071 64.190 63.100 0.031 0.000 0.770 383 P CB 0.485 32.229 31.700 0.074 0.000 0.837 384 N N -1.143 117.632 118.700 0.125 0.000 2.397 384 N HA 0.046 4.032 4.740 -1.256 0.000 0.190 384 N C 0.267 175.822 175.510 0.074 0.000 1.099 384 N CA 0.093 53.230 53.050 0.146 0.000 0.876 384 N CB 0.397 38.963 38.487 0.132 0.000 1.143 384 N HN -0.068 nan 8.380 nan 0.000 0.468 385 E N 1.602 121.796 120.200 -0.011 0.000 2.141 385 E HA 0.294 3.890 4.350 -1.256 0.000 0.259 385 E C -2.617 173.890 176.600 -0.155 0.000 0.883 385 E CA -2.088 54.253 56.400 -0.098 0.000 0.744 385 E CB 1.583 31.211 29.700 -0.120 0.000 1.150 385 E HN 0.028 nan 8.360 nan 0.000 0.420 386 P HA -0.100 nan 4.420 nan 0.000 0.262 386 P C -0.401 176.922 177.300 0.038 0.000 1.182 386 P CA 0.535 63.392 63.100 -0.406 0.000 0.761 386 P CB 0.111 31.560 31.700 -0.418 0.000 0.795 387 W N -0.371 120.960 121.300 0.050 0.000 1.440 387 W HA -0.212 3.694 4.660 -1.256 0.000 0.242 387 W C -0.230 176.270 176.519 -0.031 0.000 0.991 387 W CA -0.071 57.327 57.345 0.089 0.000 0.407 387 W CB -2.003 27.394 29.460 -0.105 0.000 1.999 387 W HN 0.071 nan 8.180 nan 0.000 1.219 388 V N 2.810 122.771 119.914 0.077 0.000 2.530 388 V HA 0.394 3.761 4.120 -1.256 0.000 0.282 388 V C 0.607 176.543 176.094 -0.265 0.000 1.048 388 V CA 0.036 62.255 62.300 -0.136 0.000 0.997 388 V CB 1.023 32.721 31.823 -0.209 0.000 0.987 388 V HN 0.015 nan 8.190 nan 0.000 0.477 389 I N 3.955 124.206 120.570 -0.532 0.000 2.689 389 I HA 0.440 3.856 4.170 -1.256 0.000 0.299 389 I C -0.651 175.342 176.117 -0.206 0.000 1.059 389 I CA -0.393 60.579 61.300 -0.547 0.000 1.055 389 I CB 2.171 39.403 38.000 -1.280 0.000 1.243 389 I HN 0.634 nan 8.210 nan 0.000 0.425 390 C N 4.901 124.339 119.300 0.230 0.000 2.319 390 C HA 0.767 4.474 4.460 -1.256 0.000 0.323 390 C C 0.091 175.210 174.990 0.215 0.000 1.277 390 C CA -0.242 58.880 59.018 0.173 0.000 1.517 390 C CB -0.026 27.652 27.740 -0.105 0.000 2.206 390 C HN 0.810 nan 8.230 nan 0.000 0.486 391 S N 5.141 121.053 115.700 0.353 0.000 2.526 391 S HA 0.817 4.533 4.470 -1.256 0.000 0.293 391 S C -0.693 174.111 174.600 0.340 0.000 1.092 391 S CA -0.603 57.850 58.200 0.422 0.000 0.980 391 S CB 1.319 64.891 63.200 0.621 0.000 1.048 391 S HN 1.536 nan 8.310 nan 0.000 0.483 392 V N -0.053 119.948 119.914 0.145 0.000 2.680 392 V HA 0.961 4.327 4.120 -1.256 0.000 0.309 392 V C -0.078 175.952 176.094 -0.107 0.000 1.052 392 V CA -0.606 61.739 62.300 0.074 0.000 0.908 392 V CB 1.070 32.933 31.823 0.067 0.000 1.001 392 V HN 1.181 nan 8.190 nan 0.000 0.431 393 S N 1.645 117.287 115.700 -0.096 0.000 2.726 393 S HA 0.538 4.254 4.470 -1.256 0.000 0.308 393 S C 0.368 174.948 174.600 -0.032 0.000 1.115 393 S CA -0.592 57.519 58.200 -0.148 0.000 0.965 393 S CB 1.840 64.950 63.200 -0.150 0.000 1.145 393 S HN 0.775 nan 8.310 nan 0.000 0.532 394 E N 0.426 120.603 120.200 -0.038 0.000 2.418 394 E HA -0.062 3.534 4.350 -1.256 0.000 0.197 394 E C -0.127 176.479 176.600 0.011 0.000 1.026 394 E CA 0.837 57.233 56.400 -0.006 0.000 0.862 394 E CB -0.129 29.552 29.700 -0.031 0.000 0.799 394 E HN 0.742 nan 8.360 nan 0.000 0.518 395 D N -0.551 119.853 120.400 0.006 0.000 2.722 395 D HA 0.048 3.934 4.640 -1.256 0.000 0.239 395 D C -0.257 176.046 176.300 0.005 0.000 1.249 395 D CA -0.477 53.525 54.000 0.003 0.000 0.830 395 D CB -0.068 40.722 40.800 -0.016 0.000 1.025 395 D HN -0.109 nan 8.370 nan 0.000 0.486 396 N N -0.856 117.861 118.700 0.029 0.000 2.980 396 N HA -0.139 3.847 4.740 -1.256 0.000 0.219 396 N C -0.634 174.888 175.510 0.020 0.000 0.883 396 N CA 0.614 53.677 53.050 0.021 0.000 1.018 396 N CB -1.026 37.444 38.487 -0.028 0.000 1.041 396 N HN 0.360 nan 8.380 nan 0.000 0.592 397 I N 1.798 122.401 120.570 0.055 0.000 2.441 397 I HA 0.259 3.675 4.170 -1.256 0.000 0.287 397 I C 0.914 177.145 176.117 0.190 0.000 1.049 397 I CA -0.148 61.211 61.300 0.098 0.000 1.381 397 I CB 0.375 38.446 38.000 0.118 0.000 1.409 397 I HN 0.169 nan 8.210 nan 0.000 0.523 398 M N 5.606 125.314 119.600 0.180 0.000 2.253 398 M HA 0.597 4.323 4.480 -1.256 0.000 0.314 398 M C -0.997 175.442 176.300 0.231 0.000 1.019 398 M CA -0.615 54.820 55.300 0.225 0.000 0.932 398 M CB 2.154 34.842 32.600 0.146 0.000 1.606 398 M HN 0.416 nan 8.290 nan 0.000 0.430 399 Q N 3.246 123.229 119.800 0.305 0.000 2.316 399 Q HA 0.668 4.254 4.340 -1.256 0.000 0.264 399 Q C -1.451 174.778 176.000 0.381 0.000 0.987 399 Q CA -0.535 55.451 55.803 0.305 0.000 0.852 399 Q CB 2.961 31.846 28.738 0.244 0.000 1.287 399 Q HN 0.813 nan 8.270 nan 0.000 0.448 400 I N 4.446 125.204 120.570 0.312 0.000 2.330 400 I HA 0.484 3.900 4.170 -1.256 0.000 0.289 400 I C -0.717 175.602 176.117 0.337 0.000 1.001 400 I CA -0.597 60.871 61.300 0.279 0.000 1.193 400 I CB 0.479 38.622 38.000 0.239 0.000 1.345 400 I HN 0.529 nan 8.210 nan 0.000 0.461 401 W N 5.793 127.172 121.300 0.131 0.000 3.118 401 W HA 0.627 4.531 4.660 -1.260 0.000 0.328 401 W C -1.914 174.699 176.519 0.158 0.000 1.239 401 W CA -0.925 56.503 57.345 0.139 0.000 1.176 401 W CB 1.606 31.140 29.460 0.123 0.000 1.433 401 W HN 0.474 nan 8.180 nan 0.000 0.562 402 Q N 3.458 123.550 119.800 0.486 0.000 2.263 402 Q HA 0.341 3.928 4.340 -1.256 0.000 0.262 402 Q C -0.405 175.807 176.000 0.354 0.000 0.984 402 Q CA -0.606 55.371 55.803 0.291 0.000 0.813 402 Q CB 2.537 31.389 28.738 0.190 0.000 1.299 402 Q HN 0.604 nan 8.270 nan 0.000 0.428 403 M N 1.874 121.563 119.600 0.149 0.000 2.232 403 M HA 0.573 4.299 4.480 -1.256 0.000 0.321 403 M C -0.172 176.055 176.300 -0.121 0.000 1.101 403 M CA -0.036 55.117 55.300 -0.245 0.000 1.181 403 M CB 0.757 32.862 32.600 -0.826 0.000 1.432 403 M HN 0.615 nan 8.290 nan 0.000 0.457 404 A N 1.943 124.653 122.820 -0.184 0.000 2.498 404 A HA 0.051 3.618 4.320 -1.256 0.000 0.239 404 A C 0.984 178.325 177.584 -0.405 0.000 1.068 404 A CA 0.021 51.954 52.037 -0.172 0.000 0.766 404 A CB -0.059 18.870 19.000 -0.119 0.000 1.003 404 A HN 1.091 nan 8.150 nan 0.000 0.497 405 E N 1.783 121.701 120.200 -0.471 0.000 2.160 405 E HA -0.215 3.381 4.350 -1.256 0.000 0.195 405 E C 1.044 177.118 176.600 -0.878 0.000 0.991 405 E CA 1.409 57.235 56.400 -0.956 0.000 0.810 405 E CB -0.051 29.372 29.700 -0.461 0.000 0.742 405 E HN 0.772 nan 8.360 nan 0.000 0.466 406 N N 0.390 118.818 118.700 -0.455 0.000 2.348 406 N HA -0.163 3.823 4.740 -1.256 0.000 0.185 406 N C 1.705 177.041 175.510 -0.289 0.000 1.019 406 N CA 0.977 53.849 53.050 -0.297 0.000 0.880 406 N CB -0.090 38.302 38.487 -0.159 0.000 0.965 406 N HN 0.354 nan 8.380 nan 0.000 0.437 407 I N -0.314 120.042 120.570 -0.356 0.000 2.480 407 I HA -0.195 3.221 4.170 -1.256 0.000 0.251 407 I C 1.739 177.760 176.117 -0.160 0.000 1.124 407 I CA 0.774 61.961 61.300 -0.188 0.000 1.444 407 I CB -0.098 37.853 38.000 -0.081 0.000 1.098 407 I HN 0.134 nan 8.210 nan 0.000 0.428 408 Y N -1.649 118.497 120.300 -0.256 0.000 2.481 408 Y HA 0.332 4.128 4.550 -1.256 0.000 0.258 408 Y C 0.893 176.726 175.900 -0.112 0.000 1.103 408 Y CA -0.709 57.255 58.100 -0.227 0.000 1.287 408 Y CB -0.743 37.369 38.460 -0.581 0.000 1.108 408 Y HN -0.086 nan 8.280 nan 0.000 0.529 409 N N 2.984 121.480 118.700 -0.339 0.000 2.968 409 N HA 0.112 4.098 4.740 -1.256 0.000 0.271 409 N C -1.564 173.903 175.510 -0.072 0.000 1.174 409 N CA -0.181 52.787 53.050 -0.138 0.000 1.096 409 N CB -0.346 37.994 38.487 -0.244 0.000 1.403 409 N HN 0.606 nan 8.380 nan 0.000 0.522 410 D N 0.000 120.403 120.400 0.005 0.000 6.856 410 D HA 0.000 3.886 4.640 -1.256 0.000 0.175 410 D CA 0.000 54.006 54.000 0.010 0.000 0.868 410 D CB 0.000 40.815 40.800 0.025 0.000 0.688 410 D HN 0.000 nan 8.370 nan 0.000 0.683