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 2zeu_1_B DATA FIRST_RESID 4 DATA SEQUENCE NKMEAKIDEL INNDPVWSSQ NESLISKPYN HILLXXXXNF RLNLIVQINR DATA SEQUENCE VMNLPKDQLA IVSQIVELLH NSSLLIDDIE DNAPLRRGQT TSHLIFGVPS DATA SEQUENCE TINTANYMYF RAMQLVSQLT TKEPLYHNLI TIFNEELINL HRGQGLDIYW DATA SEQUENCE RDFLPEIIPT QEMYLNMVMN KTGGLFRLTL RLMEALSPSX XXXHSLVPFI DATA SEQUENCE NLLGIIYQIR DDYLNLKDFQ XXXXXXFAED ITEGKLSFPI VHALNFTKTK DATA SEQUENCE GQTEQHNEIL RILLLRTSDK DIKLKLIQIL EFDTNSLAYT KNFINQLVNM DATA SEQUENCE IKNDNENKYL PXXXXXXXXX XXXXXXLLYI IDHLSEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 -0.000 0.000 1.280 4 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 4 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 5 K N 0.972 121.372 120.400 -0.000 0.000 2.057 5 K HA -0.036 4.284 4.320 0.001 0.000 0.207 5 K C 1.905 178.505 176.600 0.000 0.000 1.049 5 K CA 1.420 57.707 56.287 -0.000 0.000 0.931 5 K CB -0.031 32.469 32.500 -0.000 0.000 0.714 5 K HN 0.212 nan 8.250 nan 0.000 0.440 6 M N 1.158 120.759 119.600 0.000 0.000 2.132 6 M HA -0.176 4.305 4.480 0.001 0.000 0.263 6 M C 1.236 177.536 176.300 0.001 0.000 1.065 6 M CA 1.876 57.177 55.300 0.000 0.000 1.122 6 M CB -0.293 32.307 32.600 0.000 0.000 1.365 6 M HN 0.192 nan 8.290 nan 0.000 0.411 7 E N 0.222 120.422 120.200 0.000 0.000 2.150 7 E HA -0.088 4.263 4.350 0.001 0.000 0.193 7 E C 2.027 178.627 176.600 0.001 0.000 0.985 7 E CA 1.103 57.503 56.400 0.000 0.000 0.814 7 E CB -0.184 29.516 29.700 0.000 0.000 0.752 7 E HN 0.643 nan 8.360 nan 0.000 0.466 8 A N 1.998 124.818 122.820 0.001 0.000 1.873 8 A HA -0.202 4.119 4.320 0.001 0.000 0.215 8 A C 1.979 179.564 177.584 0.001 0.000 1.186 8 A CA 1.319 53.356 52.037 0.001 0.000 0.616 8 A CB -0.231 18.769 19.000 0.000 0.000 0.823 8 A HN 0.024 nan 8.150 nan 0.000 0.442 9 K N -0.478 119.923 120.400 0.001 0.000 2.057 9 K HA -0.087 4.234 4.320 0.001 0.000 0.207 9 K C 1.790 178.391 176.600 0.003 0.000 1.049 9 K CA 1.304 57.592 56.287 0.002 0.000 0.931 9 K CB -0.326 32.175 32.500 0.002 0.000 0.714 9 K HN 0.371 nan 8.250 nan 0.000 0.440 10 I N 2.092 122.664 120.570 0.002 0.000 2.286 10 I HA -0.263 3.907 4.170 0.001 0.000 0.248 10 I C 2.349 178.468 176.117 0.002 0.000 1.115 10 I CA 1.449 62.750 61.300 0.002 0.000 1.392 10 I CB -1.125 36.876 38.000 0.001 0.000 1.065 10 I HN 0.330 nan 8.210 nan 0.000 0.418 11 D N 0.892 121.293 120.400 0.001 0.000 2.117 11 D HA -0.266 4.375 4.640 0.001 0.000 0.197 11 D C 1.998 178.299 176.300 0.002 0.000 0.987 11 D CA 1.406 55.407 54.000 0.001 0.000 0.829 11 D CB 0.264 41.065 40.800 0.001 0.000 0.961 11 D HN 0.478 nan 8.370 nan 0.000 0.460 12 E N -0.207 119.995 120.200 0.003 0.000 2.051 12 E HA -0.191 4.160 4.350 0.001 0.000 0.192 12 E C 2.447 179.050 176.600 0.005 0.000 0.991 12 E CA 0.573 56.975 56.400 0.004 0.000 0.799 12 E CB -0.172 29.530 29.700 0.004 0.000 0.748 12 E HN 0.195 nan 8.360 nan 0.000 0.449 13 L N 1.607 122.833 121.223 0.006 0.000 1.971 13 L HA -0.196 4.145 4.340 0.001 0.000 0.215 13 L C 2.399 179.273 176.870 0.006 0.000 1.072 13 L CA 2.130 56.974 54.840 0.008 0.000 0.758 13 L CB -0.578 41.485 42.059 0.007 0.000 0.889 13 L HN 0.460 nan 8.230 nan 0.000 0.433 14 I N -3.482 117.090 120.570 0.004 0.000 3.001 14 I HA -0.115 4.055 4.170 0.001 0.000 0.268 14 I C 1.423 177.540 176.117 0.001 0.000 1.267 14 I CA 1.219 62.520 61.300 0.001 0.000 1.472 14 I CB -0.679 37.320 38.000 -0.000 0.000 1.089 14 I HN 0.319 nan 8.210 nan 0.000 0.468 15 N N 1.458 120.160 118.700 0.002 0.000 2.336 15 N HA 0.122 4.862 4.740 0.001 0.000 0.189 15 N C -0.140 175.372 175.510 0.003 0.000 1.113 15 N CA 0.131 53.182 53.050 0.001 0.000 0.858 15 N CB 0.185 38.672 38.487 0.001 0.000 0.970 15 N HN 0.463 nan 8.380 nan 0.000 0.471 16 N N 0.534 119.237 118.700 0.005 0.000 2.457 16 N HA 0.191 4.931 4.740 0.001 0.000 0.290 16 N C -0.744 174.771 175.510 0.010 0.000 1.232 16 N CA -0.402 52.653 53.050 0.008 0.000 0.852 16 N CB 1.277 39.772 38.487 0.012 0.000 1.313 16 N HN -0.094 nan 8.380 nan 0.000 0.522 17 D N 0.925 121.333 120.400 0.013 0.000 2.368 17 D HA 0.173 4.814 4.640 0.001 0.000 0.240 17 D C -1.832 174.484 176.300 0.026 0.000 1.169 17 D CA -0.441 53.568 54.000 0.014 0.000 0.906 17 D CB 0.058 40.869 40.800 0.019 0.000 1.187 17 D HN 0.282 nan 8.370 nan 0.000 0.435 18 P HA 0.005 nan 4.420 nan 0.000 0.268 18 P C -0.355 177.001 177.300 0.093 0.000 1.204 18 P CA -0.215 62.912 63.100 0.044 0.000 0.768 18 P CB 0.494 32.205 31.700 0.018 0.000 0.842 19 V N 5.102 125.079 119.914 0.105 0.000 2.521 19 V HA 0.114 4.235 4.120 0.001 0.000 0.286 19 V C 0.173 176.420 176.094 0.255 0.000 1.034 19 V CA 0.148 62.526 62.300 0.129 0.000 1.045 19 V CB 0.113 31.980 31.823 0.073 0.000 0.974 19 V HN 0.663 nan 8.190 nan 0.000 0.480 20 W N 5.549 126.841 121.300 -0.014 0.000 2.968 20 W HA 0.529 5.189 4.660 0.000 0.000 0.337 20 W C -0.213 176.300 176.519 -0.010 0.000 1.060 20 W CA -0.679 56.655 57.345 -0.017 0.000 1.240 20 W CB 2.305 31.756 29.460 -0.015 0.000 1.370 20 W HN 0.659 nan 8.180 nan 0.000 0.459 21 S N 1.789 117.160 115.700 -0.548 0.000 2.722 21 S HA 0.249 4.720 4.470 0.001 0.000 0.292 21 S C 0.923 175.236 174.600 -0.479 0.000 1.135 21 S CA -0.013 57.956 58.200 -0.384 0.000 1.003 21 S CB 1.774 64.802 63.200 -0.287 0.000 1.067 21 S HN 0.512 nan 8.310 nan 0.000 0.546 22 S N 0.447 116.009 115.700 -0.231 0.000 2.382 22 S HA -0.172 4.298 4.470 0.001 0.000 0.228 22 S C 1.654 176.140 174.600 -0.190 0.000 1.027 22 S CA 1.564 59.674 58.200 -0.151 0.000 0.991 22 S CB -0.718 62.441 63.200 -0.068 0.000 0.823 22 S HN 0.708 nan 8.310 nan 0.000 0.469 23 Q N 1.701 121.369 119.800 -0.219 0.000 2.119 23 Q HA 0.095 4.435 4.340 0.001 0.000 0.201 23 Q C 2.097 177.918 176.000 -0.299 0.000 0.972 23 Q CA 1.437 57.123 55.803 -0.196 0.000 0.847 23 Q CB -0.565 28.075 28.738 -0.162 0.000 0.903 23 Q HN 0.536 nan 8.270 nan 0.000 0.433 24 N N 0.359 118.723 118.700 -0.560 0.000 2.120 24 N HA -0.176 4.564 4.740 0.001 0.000 0.188 24 N C 1.637 176.805 175.510 -0.569 0.000 1.024 24 N CA 1.252 53.781 53.050 -0.868 0.000 0.852 24 N CB -0.241 37.059 38.487 -1.979 0.000 1.003 24 N HN 0.251 nan 8.380 nan 0.000 0.424 25 E N 0.874 120.808 120.200 -0.444 0.000 2.085 25 E HA -0.042 4.309 4.350 0.001 0.000 0.194 25 E C 1.766 178.416 176.600 0.084 0.000 0.994 25 E CA 1.214 57.689 56.400 0.125 0.000 0.801 25 E CB -0.172 29.654 29.700 0.209 0.000 0.743 25 E HN 0.183 nan 8.360 nan 0.000 0.453 26 S N 0.031 115.722 115.700 -0.015 0.000 2.368 26 S HA -0.106 4.364 4.470 0.001 0.000 0.225 26 S C 1.921 176.523 174.600 0.003 0.000 1.030 26 S CA 1.057 59.262 58.200 0.009 0.000 0.999 26 S CB -0.312 62.880 63.200 -0.013 0.000 0.844 26 S HN 0.252 nan 8.310 nan 0.000 0.459 27 L N 1.028 122.233 121.223 -0.031 0.000 2.012 27 L HA -0.122 4.219 4.340 0.001 0.000 0.210 27 L C 2.099 178.968 176.870 -0.002 0.000 1.073 27 L CA 0.935 55.766 54.840 -0.016 0.000 0.748 27 L CB -0.572 41.467 42.059 -0.032 0.000 0.891 27 L HN 0.297 nan 8.230 nan 0.000 0.431 28 I N -0.557 120.038 120.570 0.041 0.000 2.614 28 I HA -0.185 3.985 4.170 0.001 0.000 0.258 28 I C 2.368 178.505 176.117 0.034 0.000 1.189 28 I CA 1.234 62.554 61.300 0.034 0.000 1.462 28 I CB -1.056 36.963 38.000 0.032 0.000 1.092 28 I HN 0.150 nan 8.210 nan 0.000 0.442 29 S N 0.029 115.769 115.700 0.067 0.000 2.562 29 S HA 0.013 4.484 4.470 0.001 0.000 0.221 29 S C 1.790 176.396 174.600 0.009 0.000 0.975 29 S CA 0.086 58.346 58.200 0.100 0.000 0.918 29 S CB 0.078 63.367 63.200 0.147 0.000 0.772 29 S HN 0.418 nan 8.310 nan 0.000 0.531 30 K N 1.563 121.878 120.400 -0.142 0.000 2.044 30 K HA -0.124 4.196 4.320 0.001 0.000 0.210 30 K C -0.983 175.165 176.600 -0.753 0.000 1.049 30 K CA 1.543 57.602 56.287 -0.380 0.000 0.927 30 K CB -1.159 31.058 32.500 -0.471 0.000 0.713 30 K HN 0.280 nan 8.250 nan 0.000 0.443 31 P HA -0.157 nan 4.420 nan 0.000 0.220 31 P C 0.953 178.209 177.300 -0.074 0.000 1.148 31 P CA 1.011 63.761 63.100 -0.583 0.000 0.803 31 P CB 0.003 31.558 31.700 -0.242 0.000 0.782 32 Y N 0.644 120.873 120.300 -0.118 0.000 2.243 32 Y HA -0.082 4.469 4.550 0.001 0.000 0.293 32 Y C 1.892 177.801 175.900 0.014 0.000 1.124 32 Y CA 1.392 59.481 58.100 -0.018 0.000 1.159 32 Y CB -0.725 37.736 38.460 0.001 0.000 1.008 32 Y HN -0.147 nan 8.280 nan 0.000 0.527 33 N N -0.566 118.161 118.700 0.044 0.000 2.223 33 N HA -0.208 4.533 4.740 0.001 0.000 0.185 33 N C 1.672 177.167 175.510 -0.024 0.000 1.016 33 N CA 1.597 54.646 53.050 -0.002 0.000 0.863 33 N CB -0.705 37.828 38.487 0.076 0.000 0.983 33 N HN 0.556 nan 8.380 nan 0.000 0.429 34 H N 0.663 119.720 119.070 -0.023 0.000 2.387 34 H HA 0.082 4.639 4.556 0.001 0.000 0.299 34 H C 1.956 177.280 175.328 -0.006 0.000 1.090 34 H CA 1.264 57.353 56.048 0.070 0.000 1.332 34 H CB -0.210 29.724 29.762 0.285 0.000 1.386 34 H HN 0.185 nan 8.280 nan 0.000 0.516 35 I N -0.251 120.230 120.570 -0.149 0.000 3.059 35 I HA -0.116 4.054 4.170 0.001 0.000 0.270 35 I C 1.426 177.396 176.117 -0.245 0.000 1.238 35 I CA 0.375 61.551 61.300 -0.207 0.000 1.478 35 I CB 0.050 37.971 38.000 -0.131 0.000 1.097 35 I HN 0.309 nan 8.210 nan 0.000 0.455 36 L N 0.549 121.597 121.223 -0.292 0.000 2.083 36 L HA -0.139 4.201 4.340 0.001 0.000 0.209 36 L C 1.417 178.209 176.870 -0.129 0.000 1.083 36 L CA 0.641 55.352 54.840 -0.215 0.000 0.752 36 L CB -0.562 41.382 42.059 -0.192 0.000 0.899 36 L HN 0.178 nan 8.230 nan 0.000 0.433 43 F N 2.274 122.231 119.950 0.013 0.000 2.407 43 F HA 0.219 4.746 4.527 0.001 0.000 0.299 43 F C 2.254 178.058 175.800 0.006 0.000 1.097 43 F CA 0.878 58.893 58.000 0.026 0.000 1.422 43 F CB 0.203 39.219 39.000 0.028 0.000 1.067 43 F HN 0.026 nan 8.300 nan 0.000 0.539 44 R N -0.574 119.984 120.500 0.097 0.000 2.073 44 R HA -0.104 4.236 4.340 0.001 0.000 0.229 44 R C 2.080 178.379 176.300 -0.001 0.000 1.120 44 R CA 0.983 57.080 56.100 -0.006 0.000 0.967 44 R CB -0.692 29.537 30.300 -0.118 0.000 0.862 44 R HN 0.203 nan 8.270 nan 0.000 0.436 45 L N 1.668 122.886 121.223 -0.009 0.000 2.083 45 L HA -0.155 4.185 4.340 0.001 0.000 0.209 45 L C 1.762 178.633 176.870 0.002 0.000 1.083 45 L CA 1.801 56.635 54.840 -0.010 0.000 0.752 45 L CB -0.746 41.299 42.059 -0.023 0.000 0.899 45 L HN 0.092 nan 8.230 nan 0.000 0.433 46 N N -0.754 117.944 118.700 -0.003 0.000 2.069 46 N HA -0.257 4.484 4.740 0.001 0.000 0.191 46 N C 1.805 177.366 175.510 0.084 0.000 1.031 46 N CA 1.875 54.939 53.050 0.024 0.000 0.852 46 N CB -0.379 38.120 38.487 0.021 0.000 1.018 46 N HN 0.356 nan 8.380 nan 0.000 0.423 47 L N 0.389 121.681 121.223 0.115 0.000 2.141 47 L HA 0.088 4.429 4.340 0.001 0.000 0.209 47 L C 1.817 178.746 176.870 0.099 0.000 1.094 47 L CA 1.313 56.236 54.840 0.139 0.000 0.763 47 L CB -0.461 41.695 42.059 0.161 0.000 0.908 47 L HN 0.337 nan 8.230 nan 0.000 0.437 48 I N -1.847 118.758 120.570 0.059 0.000 2.202 48 I HA -0.258 3.913 4.170 0.001 0.000 0.242 48 I C 2.300 178.441 176.117 0.040 0.000 1.091 48 I CA 1.145 62.470 61.300 0.042 0.000 1.368 48 I CB -0.345 37.665 38.000 0.017 0.000 1.058 48 I HN 0.060 nan 8.210 nan 0.000 0.410 49 V N 0.460 120.393 119.914 0.032 0.000 2.233 49 V HA -0.318 3.803 4.120 0.001 0.000 0.247 49 V C 2.544 178.657 176.094 0.033 0.000 1.050 49 V CA 1.748 64.062 62.300 0.023 0.000 1.010 49 V CB -0.856 30.974 31.823 0.011 0.000 0.637 49 V HN 0.429 nan 8.190 nan 0.000 0.444 50 Q N -0.304 119.526 119.800 0.051 0.000 2.062 50 Q HA -0.208 4.133 4.340 0.001 0.000 0.209 50 Q C 2.159 178.188 176.000 0.047 0.000 0.996 50 Q CA 2.043 57.880 55.803 0.057 0.000 0.859 50 Q CB -0.674 28.121 28.738 0.095 0.000 0.920 50 Q HN 0.626 nan 8.270 nan 0.000 0.415 51 I N 0.755 121.363 120.570 0.063 0.000 2.614 51 I HA -0.210 3.960 4.170 0.001 0.000 0.258 51 I C 2.008 178.142 176.117 0.028 0.000 1.189 51 I CA 0.586 61.917 61.300 0.051 0.000 1.462 51 I CB -0.421 37.630 38.000 0.084 0.000 1.092 51 I HN 0.330 nan 8.210 nan 0.000 0.442 52 N N 1.239 119.955 118.700 0.026 0.000 2.520 52 N HA -0.121 4.619 4.740 0.001 0.000 0.185 52 N C 1.778 177.293 175.510 0.008 0.000 1.068 52 N CA 0.289 53.349 53.050 0.016 0.000 0.911 52 N CB 0.175 38.671 38.487 0.015 0.000 0.961 52 N HN 0.375 nan 8.380 nan 0.000 0.446 53 R N -0.242 120.262 120.500 0.006 0.000 2.148 53 R HA -0.025 4.316 4.340 0.001 0.000 0.227 53 R C 1.911 178.208 176.300 -0.005 0.000 1.103 53 R CA 0.754 56.854 56.100 0.000 0.000 0.983 53 R CB 0.095 30.395 30.300 -0.000 0.000 0.874 53 R HN 0.114 nan 8.270 nan 0.000 0.451 54 V N 0.263 120.172 119.914 -0.010 0.000 2.599 54 V HA -0.088 4.033 4.120 0.001 0.000 0.245 54 V C 1.987 178.073 176.094 -0.013 0.000 1.046 54 V CA 1.117 63.406 62.300 -0.019 0.000 1.065 54 V CB -0.052 31.747 31.823 -0.040 0.000 0.703 54 V HN 0.199 nan 8.190 nan 0.000 0.464 55 M N -0.728 118.869 119.600 -0.005 0.000 2.357 55 M HA 0.179 4.659 4.480 0.001 0.000 0.266 55 M C 0.744 177.046 176.300 0.003 0.000 1.095 55 M CA 0.425 55.725 55.300 -0.000 0.000 1.156 55 M CB -1.077 31.527 32.600 0.007 0.000 1.365 55 M HN 0.382 nan 8.290 nan 0.000 0.447 56 N N 2.019 120.722 118.700 0.004 0.000 2.714 56 N HA -0.152 4.588 4.740 0.001 0.000 0.253 56 N C -0.856 174.657 175.510 0.006 0.000 1.024 56 N CA 0.411 53.464 53.050 0.004 0.000 0.726 56 N CB -1.788 36.700 38.487 0.002 0.000 0.908 56 N HN 0.398 nan 8.380 nan 0.000 0.542 57 L N 0.585 121.813 121.223 0.008 0.000 2.417 57 L HA 0.385 4.725 4.340 0.001 0.000 0.268 57 L C -1.256 175.619 176.870 0.008 0.000 1.158 57 L CA -1.448 53.398 54.840 0.010 0.000 0.819 57 L CB 0.036 42.103 42.059 0.013 0.000 1.112 57 L HN -0.061 nan 8.230 nan 0.000 0.458 58 P HA 0.051 nan 4.420 nan 0.000 0.271 58 P C -0.154 177.150 177.300 0.006 0.000 1.233 58 P CA -0.279 62.825 63.100 0.006 0.000 0.789 58 P CB 0.908 32.611 31.700 0.006 0.000 0.951 59 K N 0.240 120.643 120.400 0.004 0.000 2.097 59 K HA -0.133 4.187 4.320 0.001 0.000 0.206 59 K C 1.547 178.150 176.600 0.005 0.000 1.049 59 K CA 1.512 57.802 56.287 0.004 0.000 0.933 59 K CB -0.231 32.270 32.500 0.002 0.000 0.717 59 K HN 0.418 nan 8.250 nan 0.000 0.442 60 D N 0.469 120.872 120.400 0.005 0.000 2.183 60 D HA -0.141 4.500 4.640 0.001 0.000 0.203 60 D C 1.879 178.183 176.300 0.007 0.000 0.969 60 D CA 0.963 54.966 54.000 0.005 0.000 0.842 60 D CB 0.130 40.933 40.800 0.004 0.000 0.957 60 D HN 0.228 nan 8.370 nan 0.000 0.484 61 Q N -0.089 119.716 119.800 0.008 0.000 2.119 61 Q HA -0.114 4.227 4.340 0.001 0.000 0.201 61 Q C 2.182 178.190 176.000 0.013 0.000 0.972 61 Q CA 0.561 56.371 55.803 0.011 0.000 0.847 61 Q CB 0.001 28.747 28.738 0.013 0.000 0.903 61 Q HN 0.148 nan 8.270 nan 0.000 0.433 62 L N 0.305 121.535 121.223 0.011 0.000 2.093 62 L HA -0.071 4.270 4.340 0.001 0.000 0.208 62 L C 2.114 178.991 176.870 0.012 0.000 1.085 62 L CA 1.890 56.737 54.840 0.012 0.000 0.755 62 L CB -0.552 41.513 42.059 0.010 0.000 0.904 62 L HN 0.200 nan 8.230 nan 0.000 0.435 63 A N -0.319 122.507 122.820 0.010 0.000 1.933 63 A HA -0.179 4.141 4.320 0.001 0.000 0.218 63 A C 2.242 179.834 177.584 0.014 0.000 1.175 63 A CA 2.084 54.127 52.037 0.011 0.000 0.628 63 A CB -0.820 18.186 19.000 0.009 0.000 0.814 63 A HN 0.506 nan 8.150 nan 0.000 0.444 64 I N -0.671 119.906 120.570 0.013 0.000 2.252 64 I HA -0.184 3.986 4.170 0.001 0.000 0.245 64 I C 2.339 178.467 176.117 0.017 0.000 1.102 64 I CA 0.873 62.181 61.300 0.013 0.000 1.385 64 I CB -0.286 37.720 38.000 0.010 0.000 1.064 64 I HN 0.143 nan 8.210 nan 0.000 0.414 65 V N 0.056 119.981 119.914 0.019 0.000 2.287 65 V HA -0.352 3.769 4.120 0.001 0.000 0.248 65 V C 2.627 178.734 176.094 0.022 0.000 1.053 65 V CA 2.373 64.686 62.300 0.023 0.000 1.027 65 V CB -0.725 31.111 31.823 0.021 0.000 0.646 65 V HN 0.492 nan 8.190 nan 0.000 0.447 66 S N -1.060 114.650 115.700 0.017 0.000 2.383 66 S HA -0.296 4.175 4.470 0.001 0.000 0.229 66 S C 2.030 176.647 174.600 0.028 0.000 1.030 66 S CA 2.072 60.281 58.200 0.015 0.000 1.002 66 S CB -0.234 62.973 63.200 0.012 0.000 0.829 66 S HN 0.717 nan 8.310 nan 0.000 0.467 67 Q N 0.009 119.828 119.800 0.032 0.000 2.119 67 Q HA 0.026 4.366 4.340 0.001 0.000 0.201 67 Q C 2.191 178.223 176.000 0.053 0.000 0.972 67 Q CA 1.529 57.358 55.803 0.044 0.000 0.847 67 Q CB -0.211 28.546 28.738 0.031 0.000 0.903 67 Q HN 0.588 nan 8.270 nan 0.000 0.433 68 I N -0.127 120.470 120.570 0.046 0.000 2.142 68 I HA -0.280 3.891 4.170 0.001 0.000 0.240 68 I C 2.173 178.340 176.117 0.083 0.000 1.078 68 I CA 0.937 62.277 61.300 0.067 0.000 1.343 68 I CB -0.275 37.766 38.000 0.069 0.000 1.046 68 I HN 0.052 nan 8.210 nan 0.000 0.405 69 V N 0.600 120.547 119.914 0.054 0.000 2.287 69 V HA -0.273 3.847 4.120 0.001 0.000 0.248 69 V C 2.509 178.647 176.094 0.074 0.000 1.053 69 V CA 1.799 64.118 62.300 0.031 0.000 1.027 69 V CB -0.652 31.157 31.823 -0.023 0.000 0.646 69 V HN 0.407 nan 8.190 nan 0.000 0.447 70 E N -0.076 120.176 120.200 0.088 0.000 2.110 70 E HA -0.143 4.207 4.350 0.001 0.000 0.193 70 E C 2.203 178.935 176.600 0.220 0.000 0.988 70 E CA 1.071 57.558 56.400 0.145 0.000 0.804 70 E CB -0.334 29.442 29.700 0.128 0.000 0.745 70 E HN 0.532 nan 8.360 nan 0.000 0.458 71 L N 0.279 121.613 121.223 0.186 0.000 2.017 71 L HA -0.174 4.166 4.340 0.001 0.000 0.208 71 L C 2.588 179.576 176.870 0.197 0.000 1.073 71 L CA 0.957 55.904 54.840 0.178 0.000 0.745 71 L CB -0.460 41.629 42.059 0.050 0.000 0.894 71 L HN 0.105 nan 8.230 nan 0.000 0.432 72 L N -1.223 120.112 121.223 0.186 0.000 2.093 72 L HA -0.243 4.098 4.340 0.001 0.000 0.208 72 L C 2.666 179.650 176.870 0.191 0.000 1.085 72 L CA 1.224 56.188 54.840 0.206 0.000 0.755 72 L CB -0.717 41.407 42.059 0.109 0.000 0.904 72 L HN 0.344 nan 8.230 nan 0.000 0.435 73 H N 0.436 119.544 119.070 0.062 0.000 2.299 73 H HA -0.105 4.452 4.556 0.001 0.000 0.302 73 H C 2.177 177.544 175.328 0.064 0.000 1.078 73 H CA 1.798 57.861 56.048 0.024 0.000 1.323 73 H CB 0.091 29.835 29.762 -0.029 0.000 1.381 73 H HN 0.170 nan 8.280 nan 0.000 0.498 74 N N -0.013 118.721 118.700 0.057 0.000 2.120 74 N HA -0.132 4.608 4.740 0.001 0.000 0.188 74 N C 2.078 177.614 175.510 0.043 0.000 1.024 74 N CA 1.420 54.465 53.050 -0.009 0.000 0.852 74 N CB -0.445 38.083 38.487 0.068 0.000 1.003 74 N HN 0.298 nan 8.380 nan 0.000 0.424 75 S N 0.517 116.298 115.700 0.134 0.000 2.382 75 S HA -0.041 4.430 4.470 0.001 0.000 0.228 75 S C 2.177 176.770 174.600 -0.012 0.000 1.027 75 S CA 0.845 59.053 58.200 0.013 0.000 0.991 75 S CB -0.166 62.934 63.200 -0.166 0.000 0.823 75 S HN 0.305 nan 8.310 nan 0.000 0.469 76 S N 1.666 117.400 115.700 0.056 0.000 2.368 76 S HA 0.015 4.485 4.470 0.001 0.000 0.225 76 S C 1.795 176.375 174.600 -0.033 0.000 1.030 76 S CA 0.951 59.175 58.200 0.040 0.000 0.999 76 S CB -0.425 62.783 63.200 0.014 0.000 0.844 76 S HN 0.383 nan 8.310 nan 0.000 0.459 77 L N 1.020 122.176 121.223 -0.113 0.000 2.017 77 L HA -0.110 4.231 4.340 0.001 0.000 0.208 77 L C 2.282 179.144 176.870 -0.013 0.000 1.073 77 L CA 1.060 55.844 54.840 -0.093 0.000 0.745 77 L CB -0.744 41.210 42.059 -0.175 0.000 0.894 77 L HN 0.290 nan 8.230 nan 0.000 0.432 78 L N -0.254 120.972 121.223 0.005 0.000 2.013 78 L HA -0.270 4.070 4.340 0.001 0.000 0.212 78 L C 2.519 179.415 176.870 0.044 0.000 1.073 78 L CA 1.555 56.430 54.840 0.058 0.000 0.753 78 L CB -0.436 41.663 42.059 0.066 0.000 0.890 78 L HN 0.233 nan 8.230 nan 0.000 0.432 79 I N -0.286 120.291 120.570 0.010 0.000 2.233 79 I HA -0.286 3.885 4.170 0.001 0.000 0.243 79 I C 2.218 178.330 176.117 -0.008 0.000 1.093 79 I CA 1.536 62.838 61.300 0.004 0.000 1.380 79 I CB -0.308 37.710 38.000 0.030 0.000 1.067 79 I HN 0.283 nan 8.210 nan 0.000 0.413 80 D N 1.045 121.445 120.400 -0.000 0.000 2.123 80 D HA -0.251 4.389 4.640 0.001 0.000 0.196 80 D C 1.687 177.987 176.300 -0.001 0.000 0.992 80 D CA 1.524 55.524 54.000 -0.001 0.000 0.833 80 D CB 0.062 40.866 40.800 0.007 0.000 0.954 80 D HN 0.212 nan 8.370 nan 0.000 0.455 81 D N -0.385 120.027 120.400 0.021 0.000 2.178 81 D HA -0.093 4.548 4.640 0.001 0.000 0.202 81 D C 2.142 178.387 176.300 -0.092 0.000 0.974 81 D CA 0.544 54.577 54.000 0.054 0.000 0.841 81 D CB -0.108 40.793 40.800 0.168 0.000 0.953 81 D HN 0.416 nan 8.370 nan 0.000 0.478 82 I N 0.885 121.319 120.570 -0.226 0.000 2.233 82 I HA -0.185 3.986 4.170 0.001 0.000 0.243 82 I C 2.166 178.154 176.117 -0.216 0.000 1.093 82 I CA 0.956 61.983 61.300 -0.455 0.000 1.380 82 I CB -0.107 37.721 38.000 -0.286 0.000 1.067 82 I HN -0.090 nan 8.210 nan 0.000 0.413 83 E N 0.514 120.651 120.200 -0.105 0.000 2.204 83 E HA -0.213 4.138 4.350 0.001 0.000 0.195 83 E C 0.820 177.396 176.600 -0.040 0.000 0.990 83 E CA 1.036 57.404 56.400 -0.054 0.000 0.821 83 E CB 0.050 29.738 29.700 -0.021 0.000 0.750 83 E HN 0.456 nan 8.360 nan 0.000 0.477 84 D N -0.346 120.032 120.400 -0.036 0.000 2.398 84 D HA -0.009 4.631 4.640 0.001 0.000 0.210 84 D C -0.082 176.212 176.300 -0.011 0.000 1.094 84 D CA 0.007 54.001 54.000 -0.010 0.000 0.839 84 D CB 0.119 40.927 40.800 0.014 0.000 0.963 84 D HN -0.022 nan 8.370 nan 0.000 0.506 85 N N 0.699 119.376 118.700 -0.039 0.000 2.725 85 N HA -0.221 4.520 4.740 0.001 0.000 0.251 85 N C -0.755 174.798 175.510 0.072 0.000 1.031 85 N CA 0.666 53.716 53.050 -0.000 0.000 0.720 85 N CB -1.097 37.389 38.487 -0.002 0.000 0.930 85 N HN 0.212 nan 8.380 nan 0.000 0.543 86 A N 0.756 123.647 122.820 0.118 0.000 2.366 86 A HA 0.499 4.820 4.320 0.001 0.000 0.272 86 A C -0.788 176.864 177.584 0.114 0.000 1.135 86 A CA -0.709 51.386 52.037 0.097 0.000 0.804 86 A CB 0.744 19.794 19.000 0.083 0.000 1.064 86 A HN 0.315 nan 8.150 nan 0.000 0.499 87 P HA 0.141 nan 4.420 nan 0.000 0.239 87 P C -0.166 177.084 177.300 -0.082 0.000 1.188 87 P CA 0.630 63.693 63.100 -0.062 0.000 0.794 87 P CB 0.257 31.900 31.700 -0.095 0.000 0.937 88 L N -0.502 120.681 121.223 -0.066 0.000 2.409 88 L HA 0.624 4.964 4.340 0.001 0.000 0.262 88 L C -0.212 176.663 176.870 0.008 0.000 0.992 88 L CA -1.098 53.713 54.840 -0.048 0.000 0.817 88 L CB 2.695 44.686 42.059 -0.113 0.000 1.350 88 L HN -0.287 nan 8.230 nan 0.000 0.411 89 R N 2.039 122.559 120.500 0.034 0.000 2.569 89 R HA 0.496 4.836 4.340 0.001 0.000 0.293 89 R C -0.859 175.473 176.300 0.052 0.000 1.186 89 R CA -0.661 55.471 56.100 0.053 0.000 0.956 89 R CB 0.697 31.032 30.300 0.059 0.000 1.196 89 R HN 0.463 nan 8.270 nan 0.000 0.444 90 R N 3.556 124.097 120.500 0.069 0.000 3.261 90 R HA -0.141 4.199 4.340 0.001 0.000 0.257 90 R C 0.900 177.242 176.300 0.070 0.000 1.014 90 R CA 1.434 57.578 56.100 0.072 0.000 0.681 90 R CB -2.016 28.317 30.300 0.056 0.000 1.155 90 R HN 1.384 nan 8.270 nan 0.000 0.424 91 G N -1.659 107.196 108.800 0.091 0.000 2.302 91 G HA2 -0.383 3.577 3.960 0.001 0.000 0.263 91 G HA3 -0.383 3.577 3.960 0.001 0.000 0.263 91 G C 0.014 174.946 174.900 0.053 0.000 0.995 91 G CA 0.839 45.994 45.100 0.092 0.000 0.622 91 G HN 0.483 nan 8.290 nan 0.000 0.538 92 Q N 0.769 120.595 119.800 0.043 0.000 2.214 92 Q HA 0.493 4.834 4.340 0.001 0.000 0.251 92 Q C 0.056 176.089 176.000 0.056 0.000 0.936 92 Q CA -0.297 55.534 55.803 0.047 0.000 0.894 92 Q CB 0.964 29.724 28.738 0.037 0.000 1.252 92 Q HN 0.201 nan 8.270 nan 0.000 0.448 93 T N 2.663 117.251 114.554 0.057 0.000 2.908 93 T HA 0.064 4.414 4.350 0.001 0.000 0.301 93 T C 0.332 175.066 174.700 0.057 0.000 1.019 93 T CA 0.143 62.245 62.100 0.004 0.000 1.152 93 T CB -0.033 68.802 68.868 -0.054 0.000 0.966 93 T HN 0.595 nan 8.240 nan 0.000 0.540 94 T N 2.155 116.683 114.554 -0.044 0.000 2.932 94 T HA 0.082 4.433 4.350 0.001 0.000 0.312 94 T C 1.676 176.315 174.700 -0.102 0.000 1.071 94 T CA -0.715 61.370 62.100 -0.024 0.000 1.128 94 T CB 0.652 69.473 68.868 -0.079 0.000 0.984 94 T HN 0.413 nan 8.240 nan 0.000 0.549 95 S N 1.504 117.261 115.700 0.095 0.000 2.365 95 S HA -0.215 4.255 4.470 0.001 0.000 0.225 95 S C 1.844 176.502 174.600 0.097 0.000 1.039 95 S CA 1.983 60.266 58.200 0.137 0.000 1.033 95 S CB -0.771 62.616 63.200 0.312 0.000 0.887 95 S HN 1.080 nan 8.310 nan 0.000 0.447 96 H N 0.405 119.535 119.070 0.099 0.000 2.489 96 H HA 0.130 4.687 4.556 0.001 0.000 0.293 96 H C 1.651 176.988 175.328 0.015 0.000 1.066 96 H CA 1.128 57.221 56.048 0.075 0.000 1.305 96 H CB -0.474 29.320 29.762 0.052 0.000 1.386 96 H HN 0.323 nan 8.280 nan 0.000 0.551 97 L N -0.165 120.750 121.223 -0.514 0.000 2.395 97 L HA 0.053 4.394 4.340 0.001 0.000 0.218 97 L C 1.835 178.547 176.870 -0.262 0.000 1.130 97 L CA 0.545 55.186 54.840 -0.332 0.000 0.826 97 L CB -0.070 41.769 42.059 -0.367 0.000 0.941 97 L HN 0.376 nan 8.230 nan 0.000 0.451 98 I N -1.745 118.618 120.570 -0.346 0.000 2.729 98 I HA -0.104 4.067 4.170 0.001 0.000 0.256 98 I C 1.511 177.273 176.117 -0.591 0.000 1.115 98 I CA 0.971 61.930 61.300 -0.568 0.000 1.446 98 I CB 0.020 37.448 38.000 -0.952 0.000 1.176 98 I HN 0.034 nan 8.210 nan 0.000 0.446 99 F N 1.261 121.154 119.950 -0.096 0.000 2.727 99 F HA 0.428 4.956 4.527 0.002 0.000 0.302 99 F C 1.173 176.970 175.800 -0.004 0.000 1.097 99 F CA 0.163 58.140 58.000 -0.038 0.000 1.330 99 F CB -0.022 38.967 39.000 -0.018 0.000 1.084 99 F HN 0.100 nan 8.300 nan 0.000 0.578 100 G N 0.197 109.073 108.800 0.126 0.000 2.692 100 G HA2 -0.156 3.805 3.960 0.001 0.000 0.686 100 G HA3 -0.156 3.805 3.960 0.001 0.000 0.686 100 G C 0.341 175.335 174.900 0.156 0.000 1.243 100 G CA -0.609 44.559 45.100 0.113 0.000 0.782 100 G HN -0.096 nan 8.290 nan 0.000 0.625 101 V N 2.600 122.597 119.914 0.138 0.000 2.295 101 V HA -0.125 3.996 4.120 0.001 0.000 0.246 101 V C 0.696 176.840 176.094 0.083 0.000 1.049 101 V CA 2.926 65.294 62.300 0.113 0.000 1.024 101 V CB -1.139 30.717 31.823 0.055 0.000 0.648 101 V HN 0.666 nan 8.190 nan 0.000 0.447 102 P HA -0.145 nan 4.420 nan 0.000 0.213 102 P C 2.052 179.389 177.300 0.062 0.000 1.170 102 P CA 2.034 65.167 63.100 0.056 0.000 0.902 102 P CB -0.117 31.612 31.700 0.049 0.000 0.789 103 S N -1.431 114.317 115.700 0.080 0.000 2.402 103 S HA -0.107 4.363 4.470 0.001 0.000 0.229 103 S C 1.859 176.499 174.600 0.066 0.000 1.021 103 S CA 1.743 59.985 58.200 0.071 0.000 0.974 103 S CB -1.237 62.021 63.200 0.096 0.000 0.800 103 S HN 0.291 nan 8.310 nan 0.000 0.484 104 T N 2.372 116.987 114.554 0.101 0.000 2.812 104 T HA 0.113 4.464 4.350 0.001 0.000 0.264 104 T C 1.741 176.479 174.700 0.064 0.000 1.042 104 T CA 0.817 62.976 62.100 0.100 0.000 1.140 104 T CB -0.297 68.673 68.868 0.170 0.000 0.870 104 T HN 0.305 nan 8.240 nan 0.000 0.445 105 I N 1.875 122.477 120.570 0.054 0.000 2.179 105 I HA -0.203 3.967 4.170 0.001 0.000 0.242 105 I C 2.765 178.902 176.117 0.034 0.000 1.088 105 I CA 1.098 62.419 61.300 0.035 0.000 1.357 105 I CB -0.438 37.584 38.000 0.038 0.000 1.051 105 I HN 0.308 nan 8.210 nan 0.000 0.409 106 N N 0.631 119.356 118.700 0.042 0.000 2.084 106 N HA -0.182 4.558 4.740 0.001 0.000 0.190 106 N C 1.766 177.312 175.510 0.060 0.000 1.030 106 N CA 2.217 55.294 53.050 0.044 0.000 0.849 106 N CB -0.031 38.469 38.487 0.022 0.000 1.012 106 N HN 0.258 nan 8.380 nan 0.000 0.423 107 T N 0.885 115.469 114.554 0.051 0.000 2.746 107 T HA -0.046 4.304 4.350 0.001 0.000 0.267 107 T C 1.951 176.692 174.700 0.067 0.000 1.039 107 T CA 1.397 63.550 62.100 0.088 0.000 1.142 107 T CB -0.409 68.496 68.868 0.062 0.000 0.866 107 T HN 0.459 nan 8.240 nan 0.000 0.444 108 A N 1.859 124.673 122.820 -0.010 0.000 1.902 108 A HA -0.133 4.187 4.320 0.001 0.000 0.217 108 A C 2.157 179.505 177.584 -0.393 0.000 1.181 108 A CA 1.757 53.697 52.037 -0.163 0.000 0.623 108 A CB -0.805 18.097 19.000 -0.164 0.000 0.818 108 A HN 0.613 nan 8.150 nan 0.000 0.443 109 N N -1.867 116.709 118.700 -0.207 0.000 2.120 109 N HA -0.195 4.545 4.740 0.001 0.000 0.188 109 N C 1.768 177.389 175.510 0.184 0.000 1.024 109 N CA 1.445 54.446 53.050 -0.082 0.000 0.852 109 N CB -0.313 38.275 38.487 0.170 0.000 1.003 109 N HN 0.606 nan 8.380 nan 0.000 0.424 110 Y N 1.720 122.059 120.300 0.065 0.000 2.151 110 Y HA -0.177 4.373 4.550 0.001 0.000 0.284 110 Y C 2.108 178.049 175.900 0.068 0.000 1.166 110 Y CA 1.426 59.593 58.100 0.111 0.000 1.163 110 Y CB -0.175 38.281 38.460 -0.006 0.000 0.974 110 Y HN 0.036 nan 8.280 nan 0.000 0.511 111 M N -1.001 118.500 119.600 -0.165 0.000 2.296 111 M HA -0.211 4.270 4.480 0.001 0.000 0.265 111 M C 1.987 178.210 176.300 -0.127 0.000 1.064 111 M CA 1.182 56.285 55.300 -0.328 0.000 1.109 111 M CB -1.596 30.769 32.600 -0.391 0.000 1.396 111 M HN 0.464 nan 8.290 nan 0.000 0.430 112 Y N -0.930 119.296 120.300 -0.124 0.000 2.145 112 Y HA -0.253 4.297 4.550 0.001 0.000 0.286 112 Y C 2.219 177.990 175.900 -0.216 0.000 1.145 112 Y CA 0.861 58.846 58.100 -0.193 0.000 1.148 112 Y CB -0.440 37.780 38.460 -0.401 0.000 0.981 112 Y HN 0.055 nan 8.280 nan 0.000 0.507 113 F N -0.492 119.548 119.950 0.150 0.000 2.259 113 F HA -0.151 4.377 4.527 0.001 0.000 0.298 113 F C 2.256 177.991 175.800 -0.109 0.000 1.088 113 F CA 0.667 58.687 58.000 0.034 0.000 1.358 113 F CB -0.193 38.820 39.000 0.022 0.000 1.040 113 F HN -0.105 nan 8.300 nan 0.000 0.505 114 R N 0.457 120.893 120.500 -0.108 0.000 2.092 114 R HA -0.046 4.294 4.340 0.001 0.000 0.231 114 R C 2.409 178.640 176.300 -0.115 0.000 1.119 114 R CA 1.142 57.114 56.100 -0.214 0.000 0.970 114 R CB -1.231 28.818 30.300 -0.419 0.000 0.864 114 R HN 0.310 nan 8.270 nan 0.000 0.440 115 A N 1.419 124.205 122.820 -0.057 0.000 1.883 115 A HA -0.189 4.132 4.320 0.001 0.000 0.217 115 A C 2.272 179.776 177.584 -0.134 0.000 1.186 115 A CA 1.645 53.683 52.037 0.001 0.000 0.624 115 A CB -0.549 18.555 19.000 0.173 0.000 0.822 115 A HN 0.270 nan 8.150 nan 0.000 0.444 116 M N -1.044 118.426 119.600 -0.218 0.000 2.106 116 M HA -0.287 4.193 4.480 0.001 0.000 0.259 116 M C 2.394 178.501 176.300 -0.321 0.000 1.068 116 M CA 2.332 57.269 55.300 -0.606 0.000 1.100 116 M CB -0.239 32.192 32.600 -0.282 0.000 1.351 116 M HN 0.622 nan 8.290 nan 0.000 0.404 117 Q N 0.073 119.789 119.800 -0.139 0.000 2.170 117 Q HA -0.153 4.187 4.340 0.001 0.000 0.203 117 Q C 1.900 177.855 176.000 -0.075 0.000 0.976 117 Q CA 1.295 57.050 55.803 -0.079 0.000 0.858 117 Q CB -0.090 28.615 28.738 -0.054 0.000 0.907 117 Q HN 0.592 nan 8.270 nan 0.000 0.433 118 L N -0.660 120.509 121.223 -0.090 0.000 2.141 118 L HA -0.159 4.182 4.340 0.001 0.000 0.209 118 L C 2.223 179.063 176.870 -0.050 0.000 1.094 118 L CA 0.432 55.238 54.840 -0.057 0.000 0.763 118 L CB -0.294 41.739 42.059 -0.043 0.000 0.908 118 L HN 0.126 nan 8.230 nan 0.000 0.437 119 V N -0.346 119.501 119.914 -0.111 0.000 2.332 119 V HA -0.296 3.824 4.120 0.001 0.000 0.248 119 V C 2.490 178.635 176.094 0.084 0.000 1.055 119 V CA 2.156 64.406 62.300 -0.084 0.000 1.038 119 V CB -0.491 31.166 31.823 -0.278 0.000 0.651 119 V HN 0.484 nan 8.190 nan 0.000 0.450 120 S N -0.416 115.370 115.700 0.143 0.000 2.440 120 S HA -0.254 4.216 4.470 0.001 0.000 0.238 120 S C 1.683 176.298 174.600 0.024 0.000 1.010 120 S CA 1.206 59.532 58.200 0.209 0.000 0.972 120 S CB -0.322 62.900 63.200 0.036 0.000 0.774 120 S HN 0.729 nan 8.310 nan 0.000 0.501 121 Q N 0.110 119.919 119.800 0.015 0.000 2.360 121 Q HA 0.312 4.652 4.340 0.001 0.000 0.202 121 Q C 1.524 177.532 176.000 0.012 0.000 0.915 121 Q CA -0.047 55.752 55.803 -0.006 0.000 0.943 121 Q CB -0.130 28.600 28.738 -0.013 0.000 1.064 121 Q HN 0.490 nan 8.270 nan 0.000 0.511 122 L N -0.460 120.787 121.223 0.040 0.000 2.156 122 L HA -0.002 4.338 4.340 0.001 0.000 0.208 122 L C 1.181 178.077 176.870 0.043 0.000 1.095 122 L CA 0.838 55.702 54.840 0.040 0.000 0.770 122 L CB 0.231 42.321 42.059 0.051 0.000 0.914 122 L HN 0.060 nan 8.230 nan 0.000 0.439 123 T N -2.568 112.021 114.554 0.058 0.000 2.802 123 T HA 0.259 4.609 4.350 0.001 0.000 0.311 123 T C 0.363 175.066 174.700 0.005 0.000 1.405 123 T CA 0.019 62.144 62.100 0.042 0.000 1.016 123 T CB 1.635 70.547 68.868 0.073 0.000 1.352 123 T HN 0.105 nan 8.240 nan 0.000 0.498 124 T N -0.541 114.004 114.554 -0.015 0.000 3.044 124 T HA 0.359 4.709 4.350 0.001 0.000 0.260 124 T C 0.230 174.912 174.700 -0.030 0.000 1.019 124 T CA -0.279 61.786 62.100 -0.060 0.000 0.921 124 T CB -0.080 68.754 68.868 -0.057 0.000 1.053 124 T HN 0.486 nan 8.240 nan 0.000 0.533 125 K N 2.621 123.031 120.400 0.017 0.000 2.363 125 K HA 0.166 4.487 4.320 0.001 0.000 0.289 125 K C 0.692 177.339 176.600 0.078 0.000 1.063 125 K CA -0.317 55.993 56.287 0.038 0.000 0.967 125 K CB 0.904 33.432 32.500 0.046 0.000 0.987 125 K HN 0.162 nan 8.250 nan 0.000 0.473 126 E N 2.664 122.901 120.200 0.061 0.000 2.114 126 E HA -0.184 4.167 4.350 0.001 0.000 0.199 126 E C -0.929 175.777 176.600 0.177 0.000 1.008 126 E CA 1.680 58.144 56.400 0.107 0.000 0.810 126 E CB -1.042 28.697 29.700 0.066 0.000 0.739 126 E HN 0.526 nan 8.360 nan 0.000 0.456 127 P HA -0.122 nan 4.420 nan 0.000 0.213 127 P C 1.822 179.205 177.300 0.137 0.000 1.170 127 P CA 0.666 63.839 63.100 0.122 0.000 0.893 127 P CB -0.145 31.598 31.700 0.071 0.000 0.784 128 L N -1.422 119.869 121.223 0.113 0.000 2.079 128 L HA -0.189 4.151 4.340 0.001 0.000 0.210 128 L C 2.395 179.348 176.870 0.139 0.000 1.081 128 L CA 1.751 56.651 54.840 0.100 0.000 0.752 128 L CB -1.552 40.556 42.059 0.080 0.000 0.896 128 L HN -0.078 nan 8.230 nan 0.000 0.433 129 Y N -0.362 119.965 120.300 0.044 0.000 2.181 129 Y HA -0.322 4.228 4.550 0.001 0.000 0.288 129 Y C 2.719 178.659 175.900 0.067 0.000 1.146 129 Y CA 2.236 60.353 58.100 0.028 0.000 1.164 129 Y CB -0.696 37.764 38.460 -0.001 0.000 0.982 129 Y HN 0.506 nan 8.280 nan 0.000 0.515 130 H N -0.388 118.674 119.070 -0.013 0.000 2.387 130 H HA -0.167 4.389 4.556 0.001 0.000 0.299 130 H C 1.828 177.073 175.328 -0.138 0.000 1.099 130 H CA 1.353 57.329 56.048 -0.119 0.000 1.315 130 H CB 0.094 29.859 29.762 0.005 0.000 1.380 130 H HN 0.367 nan 8.280 nan 0.000 0.513 131 N N 0.423 119.173 118.700 0.083 0.000 2.142 131 N HA -0.128 4.613 4.740 0.001 0.000 0.186 131 N C 2.072 177.577 175.510 -0.008 0.000 1.023 131 N CA 1.002 54.066 53.050 0.024 0.000 0.852 131 N CB -0.265 38.233 38.487 0.018 0.000 0.998 131 N HN 0.389 nan 8.380 nan 0.000 0.424 132 L N 0.710 121.903 121.223 -0.051 0.000 2.046 132 L HA -0.106 4.234 4.340 0.001 0.000 0.208 132 L C 2.084 178.898 176.870 -0.092 0.000 1.077 132 L CA 0.742 55.546 54.840 -0.061 0.000 0.747 132 L CB -0.393 41.627 42.059 -0.064 0.000 0.896 132 L HN 0.105 nan 8.230 nan 0.000 0.432 133 I N -0.180 120.239 120.570 -0.252 0.000 2.315 133 I HA -0.215 3.955 4.170 0.001 0.000 0.248 133 I C 2.537 178.661 176.117 0.012 0.000 1.117 133 I CA 1.584 62.757 61.300 -0.212 0.000 1.404 133 I CB -1.329 36.409 38.000 -0.437 0.000 1.071 133 I HN 0.271 nan 8.210 nan 0.000 0.419 134 T N 1.429 116.004 114.554 0.034 0.000 2.746 134 T HA -0.085 4.265 4.350 0.001 0.000 0.267 134 T C 2.085 176.813 174.700 0.047 0.000 1.039 134 T CA 1.143 63.281 62.100 0.063 0.000 1.142 134 T CB -0.169 68.733 68.868 0.057 0.000 0.866 134 T HN 0.203 nan 8.240 nan 0.000 0.444 135 I N 0.302 120.899 120.570 0.045 0.000 2.142 135 I HA -0.143 4.027 4.170 0.001 0.000 0.240 135 I C 2.102 178.251 176.117 0.052 0.000 1.078 135 I CA 1.382 62.706 61.300 0.040 0.000 1.343 135 I CB -0.376 37.649 38.000 0.041 0.000 1.046 135 I HN 0.161 nan 8.210 nan 0.000 0.405 136 F N 2.000 121.910 119.950 -0.067 0.000 2.065 136 F HA -0.333 4.194 4.527 0.001 0.000 0.298 136 F C 2.423 178.170 175.800 -0.089 0.000 1.112 136 F CA 2.115 60.066 58.000 -0.081 0.000 1.212 136 F CB -0.490 38.453 39.000 -0.095 0.000 0.975 136 F HN 0.066 nan 8.300 nan 0.000 0.476 137 N N 0.690 119.440 118.700 0.083 0.000 2.043 137 N HA -0.207 4.533 4.740 0.001 0.000 0.193 137 N C 1.828 177.273 175.510 -0.107 0.000 1.037 137 N CA 2.046 55.080 53.050 -0.027 0.000 0.851 137 N CB -0.404 38.119 38.487 0.060 0.000 1.027 137 N HN 0.521 nan 8.380 nan 0.000 0.422 138 E N -0.033 120.132 120.200 -0.059 0.000 2.085 138 E HA -0.153 4.198 4.350 0.001 0.000 0.194 138 E C 1.588 178.133 176.600 -0.092 0.000 0.994 138 E CA 0.921 57.285 56.400 -0.060 0.000 0.801 138 E CB 0.007 29.689 29.700 -0.030 0.000 0.743 138 E HN 0.383 nan 8.360 nan 0.000 0.453 139 E N 0.421 120.549 120.200 -0.120 0.000 2.216 139 E HA -0.083 4.267 4.350 0.001 0.000 0.192 139 E C 2.186 178.674 176.600 -0.188 0.000 0.988 139 E CA 0.409 56.730 56.400 -0.131 0.000 0.834 139 E CB -0.028 29.604 29.700 -0.113 0.000 0.772 139 E HN 0.289 nan 8.360 nan 0.000 0.479 140 L N 0.383 121.426 121.223 -0.301 0.000 2.056 140 L HA -0.093 4.248 4.340 0.001 0.000 0.207 140 L C 2.433 179.241 176.870 -0.104 0.000 1.078 140 L CA 0.668 55.320 54.840 -0.314 0.000 0.749 140 L CB -0.204 41.504 42.059 -0.585 0.000 0.901 140 L HN 0.071 nan 8.230 nan 0.000 0.433 141 I N -0.051 120.437 120.570 -0.136 0.000 2.208 141 I HA -0.329 3.841 4.170 0.001 0.000 0.245 141 I C 2.128 178.225 176.117 -0.035 0.000 1.097 141 I CA 1.155 62.409 61.300 -0.077 0.000 1.363 141 I CB -0.294 37.657 38.000 -0.082 0.000 1.051 141 I HN 0.374 nan 8.210 nan 0.000 0.413 142 N N 0.611 119.276 118.700 -0.058 0.000 2.120 142 N HA -0.180 4.561 4.740 0.001 0.000 0.188 142 N C 1.790 177.261 175.510 -0.064 0.000 1.024 142 N CA 1.127 54.144 53.050 -0.054 0.000 0.852 142 N CB -0.562 37.893 38.487 -0.053 0.000 1.003 142 N HN 0.244 nan 8.380 nan 0.000 0.424 143 L N 0.868 122.039 121.223 -0.086 0.000 2.042 143 L HA -0.151 4.189 4.340 0.001 0.000 0.210 143 L C 1.792 178.545 176.870 -0.195 0.000 1.076 143 L CA 1.929 56.682 54.840 -0.146 0.000 0.749 143 L CB -0.798 41.135 42.059 -0.209 0.000 0.893 143 L HN 0.151 nan 8.230 nan 0.000 0.432 144 H N -0.731 118.262 119.070 -0.129 0.000 2.428 144 H HA 0.024 4.581 4.556 0.001 0.000 0.296 144 H C 2.344 177.616 175.328 -0.094 0.000 1.062 144 H CA 1.573 57.559 56.048 -0.103 0.000 1.350 144 H CB -0.006 29.690 29.762 -0.109 0.000 1.403 144 H HN 0.295 nan 8.280 nan 0.000 0.533 145 R N -0.380 120.121 120.500 0.003 0.000 2.073 145 R HA -0.080 4.260 4.340 0.001 0.000 0.234 145 R C 2.568 178.800 176.300 -0.114 0.000 1.134 145 R CA 1.188 57.254 56.100 -0.056 0.000 0.952 145 R CB -0.507 29.755 30.300 -0.063 0.000 0.850 145 R HN 0.385 nan 8.270 nan 0.000 0.433 146 G N 0.534 109.264 108.800 -0.117 0.000 2.421 146 G HA2 -0.339 3.621 3.960 0.001 0.000 0.216 146 G HA3 -0.339 3.621 3.960 0.001 0.000 0.216 146 G C 1.387 176.186 174.900 -0.169 0.000 1.171 146 G CA 0.753 45.761 45.100 -0.153 0.000 0.775 146 G HN 0.263 nan 8.290 nan 0.000 0.543 147 Q N 0.665 120.383 119.800 -0.138 0.000 2.119 147 Q HA 0.090 4.430 4.340 0.001 0.000 0.201 147 Q C 2.514 178.455 176.000 -0.099 0.000 0.972 147 Q CA 2.014 57.747 55.803 -0.116 0.000 0.847 147 Q CB -0.908 27.747 28.738 -0.139 0.000 0.903 147 Q HN 0.296 nan 8.270 nan 0.000 0.433 148 G N 0.518 109.267 108.800 -0.085 0.000 2.422 148 G HA2 -0.229 3.732 3.960 0.001 0.000 0.218 148 G HA3 -0.229 3.732 3.960 0.001 0.000 0.218 148 G C 1.297 176.133 174.900 -0.107 0.000 1.146 148 G CA 0.912 45.984 45.100 -0.047 0.000 0.769 148 G HN 0.404 nan 8.290 nan 0.000 0.547 149 L N 0.713 121.774 121.223 -0.271 0.000 2.072 149 L HA 0.092 4.433 4.340 0.001 0.000 0.205 149 L C 2.180 178.630 176.870 -0.700 0.000 1.079 149 L CA 2.062 56.553 54.840 -0.581 0.000 0.752 149 L CB -0.515 41.078 42.059 -0.777 0.000 0.906 149 L HN 0.157 nan 8.230 nan 0.000 0.436 150 D N -0.488 119.660 120.400 -0.419 0.000 2.097 150 D HA -0.202 4.438 4.640 0.001 0.000 0.195 150 D C 2.227 178.542 176.300 0.025 0.000 0.989 150 D CA 1.608 55.520 54.000 -0.147 0.000 0.827 150 D CB -0.069 40.700 40.800 -0.051 0.000 0.966 150 D HN 0.441 nan 8.370 nan 0.000 0.456 151 I N -0.515 120.059 120.570 0.006 0.000 2.252 151 I HA -0.253 3.918 4.170 0.001 0.000 0.245 151 I C 2.093 178.292 176.117 0.137 0.000 1.102 151 I CA 0.775 62.116 61.300 0.068 0.000 1.385 151 I CB -0.319 37.710 38.000 0.048 0.000 1.064 151 I HN 0.103 nan 8.210 nan 0.000 0.414 152 Y N 0.955 121.266 120.300 0.017 0.000 2.097 152 Y HA -0.308 4.242 4.550 0.001 0.000 0.282 152 Y C 2.348 178.447 175.900 0.331 0.000 1.152 152 Y CA 1.794 59.987 58.100 0.155 0.000 1.136 152 Y CB -0.205 38.205 38.460 -0.082 0.000 0.975 152 Y HN 0.103 nan 8.280 nan 0.000 0.498 153 W N 0.824 122.360 121.300 0.394 0.000 2.335 153 W HA -0.202 4.458 4.660 0.000 0.000 0.311 153 W C 2.747 179.360 176.519 0.158 0.000 1.213 153 W CA 1.739 59.256 57.345 0.287 0.000 1.274 153 W CB -1.253 28.328 29.460 0.203 0.000 1.148 153 W HN 0.167 nan 8.180 nan 0.000 0.498 154 R N 0.522 121.235 120.500 0.354 0.000 2.073 154 R HA -0.154 4.187 4.340 0.001 0.000 0.234 154 R C 1.533 177.883 176.300 0.083 0.000 1.134 154 R CA 2.114 58.324 56.100 0.184 0.000 0.952 154 R CB -0.487 29.896 30.300 0.138 0.000 0.850 154 R HN -0.065 nan 8.270 nan 0.000 0.433 155 D N -0.698 119.724 120.400 0.036 0.000 2.317 155 D HA -0.076 4.564 4.640 0.001 0.000 0.211 155 D C 1.000 177.103 176.300 -0.328 0.000 0.966 155 D CA 0.886 54.805 54.000 -0.136 0.000 0.876 155 D CB 0.065 40.759 40.800 -0.176 0.000 0.927 155 D HN 0.250 nan 8.370 nan 0.000 0.519 156 F N 0.032 119.864 119.950 -0.198 0.000 2.695 156 F HA 0.185 4.713 4.527 0.001 0.000 0.303 156 F C 0.763 176.542 175.800 -0.034 0.000 1.091 156 F CA -0.651 57.236 58.000 -0.189 0.000 1.300 156 F CB 0.260 39.019 39.000 -0.402 0.000 1.071 156 F HN -0.156 nan 8.300 nan 0.000 0.578 157 L N 3.668 124.966 121.223 0.126 0.000 2.559 157 L HA 0.045 4.386 4.340 0.001 0.000 0.282 157 L C -1.623 175.273 176.870 0.044 0.000 1.232 157 L CA -0.792 54.105 54.840 0.096 0.000 0.885 157 L CB 0.188 42.284 42.059 0.061 0.000 1.131 157 L HN -0.139 nan 8.230 nan 0.000 0.498 158 P HA 0.058 nan 4.420 nan 0.000 0.236 158 P C 0.386 177.745 177.300 0.098 0.000 1.749 158 P CA -0.088 63.048 63.100 0.061 0.000 0.994 158 P CB 0.293 32.013 31.700 0.033 0.000 1.599 159 E N 0.670 120.964 120.200 0.157 0.000 2.077 159 E HA -0.069 4.282 4.350 0.001 0.000 0.193 159 E C 0.109 176.803 176.600 0.158 0.000 0.989 159 E CA 0.908 57.417 56.400 0.183 0.000 0.800 159 E CB 0.077 29.951 29.700 0.290 0.000 0.746 159 E HN 0.311 nan 8.360 nan 0.000 0.452 160 I N 1.182 121.861 120.570 0.180 0.000 2.498 160 I HA 0.326 4.496 4.170 0.001 0.000 0.290 160 I C -0.682 175.406 176.117 -0.048 0.000 1.032 160 I CA -0.660 60.696 61.300 0.092 0.000 1.073 160 I CB 2.205 40.322 38.000 0.194 0.000 1.251 160 I HN -0.032 nan 8.210 nan 0.000 0.426 161 I N 7.665 128.161 120.570 -0.122 0.000 2.382 161 I HA 0.333 4.503 4.170 0.001 0.000 0.285 161 I C -2.103 173.814 176.117 -0.333 0.000 1.007 161 I CA -1.766 59.415 61.300 -0.198 0.000 1.142 161 I CB 1.770 39.726 38.000 -0.074 0.000 1.289 161 I HN 0.293 nan 8.210 nan 0.000 0.453 162 P HA 0.165 nan 4.420 nan 0.000 0.274 162 P C -0.289 176.797 177.300 -0.357 0.000 1.237 162 P CA -0.176 62.532 63.100 -0.654 0.000 0.793 162 P CB 0.733 31.631 31.700 -1.337 0.000 0.977 163 T N -2.559 111.851 114.554 -0.241 0.000 2.912 163 T HA 0.144 4.495 4.350 0.001 0.000 0.280 163 T C 1.290 175.914 174.700 -0.127 0.000 0.989 163 T CA -0.524 61.480 62.100 -0.160 0.000 0.995 163 T CB 1.006 69.821 68.868 -0.089 0.000 1.077 163 T HN 0.487 nan 8.240 nan 0.000 0.531 164 Q N -0.028 119.688 119.800 -0.139 0.000 2.152 164 Q HA -0.239 4.102 4.340 0.001 0.000 0.206 164 Q C 2.106 178.158 176.000 0.087 0.000 0.985 164 Q CA 2.136 57.865 55.803 -0.123 0.000 0.863 164 Q CB -0.142 28.509 28.738 -0.145 0.000 0.904 164 Q HN 0.921 nan 8.270 nan 0.000 0.422 165 E N -0.298 119.950 120.200 0.080 0.000 2.072 165 E HA -0.199 4.152 4.350 0.001 0.000 0.191 165 E C 1.969 178.665 176.600 0.160 0.000 0.985 165 E CA 1.152 57.630 56.400 0.131 0.000 0.801 165 E CB -0.070 29.686 29.700 0.093 0.000 0.750 165 E HN 0.440 nan 8.360 nan 0.000 0.452 166 M N -0.264 119.415 119.600 0.131 0.000 2.132 166 M HA -0.135 4.345 4.480 0.001 0.000 0.263 166 M C 2.203 178.734 176.300 0.386 0.000 1.065 166 M CA 1.462 56.892 55.300 0.217 0.000 1.122 166 M CB -0.374 32.304 32.600 0.129 0.000 1.365 166 M HN 0.249 nan 8.290 nan 0.000 0.411 167 Y N 1.204 121.603 120.300 0.165 0.000 2.224 167 Y HA -0.214 4.336 4.550 0.001 0.000 0.289 167 Y C 1.821 177.881 175.900 0.266 0.000 1.146 167 Y CA 1.590 59.857 58.100 0.278 0.000 1.182 167 Y CB -0.146 38.376 38.460 0.103 0.000 0.983 167 Y HN 0.085 nan 8.280 nan 0.000 0.524 168 L N 0.249 121.708 121.223 0.394 0.000 2.093 168 L HA -0.215 4.125 4.340 0.001 0.000 0.208 168 L C 2.044 178.986 176.870 0.120 0.000 1.085 168 L CA 1.093 56.096 54.840 0.273 0.000 0.755 168 L CB -0.599 41.650 42.059 0.317 0.000 0.904 168 L HN 0.280 nan 8.230 nan 0.000 0.435 169 N N -0.268 118.511 118.700 0.132 0.000 2.188 169 N HA -0.174 4.567 4.740 0.001 0.000 0.184 169 N C 1.838 177.361 175.510 0.021 0.000 1.018 169 N CA 1.061 54.158 53.050 0.077 0.000 0.858 169 N CB -0.218 38.324 38.487 0.090 0.000 0.989 169 N HN 0.259 nan 8.380 nan 0.000 0.426 170 M N 0.966 120.581 119.600 0.025 0.000 2.086 170 M HA -0.089 4.392 4.480 0.001 0.000 0.261 170 M C 1.624 177.843 176.300 -0.135 0.000 1.067 170 M CA 1.252 56.494 55.300 -0.097 0.000 1.116 170 M CB -0.412 32.111 32.600 -0.128 0.000 1.348 170 M HN -0.126 nan 8.290 nan 0.000 0.407 171 V N 0.925 120.726 119.914 -0.188 0.000 2.407 171 V HA -0.311 3.810 4.120 0.001 0.000 0.248 171 V C 2.715 178.780 176.094 -0.049 0.000 1.055 171 V CA 1.449 63.659 62.300 -0.150 0.000 1.049 171 V CB -0.716 30.991 31.823 -0.193 0.000 0.662 171 V HN 0.485 nan 8.190 nan 0.000 0.455 172 M N -0.317 119.266 119.600 -0.028 0.000 2.149 172 M HA -0.162 4.319 4.480 0.001 0.000 0.261 172 M C 2.055 178.345 176.300 -0.016 0.000 1.064 172 M CA 1.639 56.932 55.300 -0.011 0.000 1.102 172 M CB -1.159 31.442 32.600 0.003 0.000 1.369 172 M HN 0.489 nan 8.290 nan 0.000 0.408 173 N N -0.017 118.662 118.700 -0.035 0.000 2.132 173 N HA -0.123 4.617 4.740 0.001 0.000 0.187 173 N C 1.744 177.224 175.510 -0.049 0.000 1.038 173 N CA 1.011 54.034 53.050 -0.046 0.000 0.846 173 N CB -0.210 38.236 38.487 -0.068 0.000 1.012 173 N HN 0.368 nan 8.380 nan 0.000 0.429 174 K N 0.677 121.040 120.400 -0.063 0.000 1.985 174 K HA -0.077 4.243 4.320 0.001 0.000 0.210 174 K C 1.683 178.281 176.600 -0.002 0.000 1.047 174 K CA 1.695 57.948 56.287 -0.057 0.000 0.932 174 K CB -0.058 32.398 32.500 -0.072 0.000 0.716 174 K HN 0.059 nan 8.250 nan 0.000 0.439 175 T N -0.558 114.025 114.554 0.048 0.000 2.976 175 T HA 0.042 4.392 4.350 0.001 0.000 0.257 175 T C 1.737 176.567 174.700 0.218 0.000 1.051 175 T CA 0.793 62.986 62.100 0.156 0.000 1.141 175 T CB -0.057 68.937 68.868 0.211 0.000 0.881 175 T HN 0.493 nan 8.240 nan 0.000 0.461 176 G N 1.278 110.148 108.800 0.117 0.000 2.422 176 G HA2 -0.034 3.927 3.960 0.001 0.000 0.218 176 G HA3 -0.034 3.927 3.960 0.001 0.000 0.218 176 G C 1.717 176.687 174.900 0.117 0.000 1.146 176 G CA 0.923 46.095 45.100 0.119 0.000 0.769 176 G HN 0.536 nan 8.290 nan 0.000 0.547 177 G N 0.993 109.817 108.800 0.040 0.000 2.574 177 G HA2 -0.289 3.672 3.960 0.001 0.000 0.220 177 G HA3 -0.289 3.672 3.960 0.001 0.000 0.220 177 G C 1.714 176.598 174.900 -0.027 0.000 1.173 177 G CA 0.902 45.994 45.100 -0.014 0.000 0.772 177 G HN 0.395 nan 8.290 nan 0.000 0.585 178 L N -1.001 120.192 121.223 -0.050 0.000 2.156 178 L HA 0.081 4.422 4.340 0.001 0.000 0.208 178 L C 2.766 179.538 176.870 -0.165 0.000 1.095 178 L CA 0.770 55.530 54.840 -0.134 0.000 0.770 178 L CB -0.247 41.689 42.059 -0.206 0.000 0.914 178 L HN 0.210 nan 8.230 nan 0.000 0.439 179 F N 0.190 120.093 119.950 -0.079 0.000 2.051 179 F HA -0.196 4.331 4.527 0.001 0.000 0.296 179 F C 2.774 178.548 175.800 -0.042 0.000 1.122 179 F CA 1.453 59.409 58.000 -0.074 0.000 1.201 179 F CB -0.422 38.522 39.000 -0.094 0.000 0.978 179 F HN -0.078 nan 8.300 nan 0.000 0.472 180 R N -0.244 120.349 120.500 0.154 0.000 2.120 180 R HA -0.175 4.166 4.340 0.001 0.000 0.234 180 R C 2.094 178.417 176.300 0.039 0.000 1.123 180 R CA 1.162 57.310 56.100 0.079 0.000 0.975 180 R CB -0.797 29.532 30.300 0.049 0.000 0.866 180 R HN 0.230 nan 8.270 nan 0.000 0.446 181 L N 0.783 122.010 121.223 0.007 0.000 1.994 181 L HA -0.148 4.192 4.340 0.001 0.000 0.208 181 L C 1.866 178.745 176.870 0.015 0.000 1.071 181 L CA 2.040 56.876 54.840 -0.008 0.000 0.745 181 L CB -1.069 40.958 42.059 -0.052 0.000 0.892 181 L HN 0.043 nan 8.230 nan 0.000 0.431 182 T N 0.551 115.105 114.554 0.000 0.000 2.708 182 T HA -0.146 4.204 4.350 0.001 0.000 0.266 182 T C 1.877 176.597 174.700 0.033 0.000 1.037 182 T CA 1.496 63.600 62.100 0.007 0.000 1.146 182 T CB -0.385 68.464 68.868 -0.031 0.000 0.865 182 T HN 0.246 nan 8.240 nan 0.000 0.435 183 L N 1.355 122.609 121.223 0.052 0.000 2.056 183 L HA 0.034 4.375 4.340 0.001 0.000 0.207 183 L C 2.348 179.248 176.870 0.049 0.000 1.078 183 L CA 1.723 56.603 54.840 0.067 0.000 0.749 183 L CB -0.760 41.359 42.059 0.101 0.000 0.901 183 L HN 0.220 nan 8.230 nan 0.000 0.433 184 R N -0.689 119.837 120.500 0.043 0.000 2.092 184 R HA -0.119 4.221 4.340 0.001 0.000 0.231 184 R C 2.314 178.633 176.300 0.032 0.000 1.119 184 R CA 0.967 57.087 56.100 0.034 0.000 0.970 184 R CB -0.223 30.094 30.300 0.029 0.000 0.864 184 R HN 0.355 nan 8.270 nan 0.000 0.440 185 L N 0.247 121.492 121.223 0.036 0.000 2.017 185 L HA -0.195 4.146 4.340 0.001 0.000 0.208 185 L C 2.553 179.442 176.870 0.031 0.000 1.073 185 L CA 1.490 56.351 54.840 0.036 0.000 0.745 185 L CB -0.319 41.766 42.059 0.044 0.000 0.894 185 L HN 0.246 nan 8.230 nan 0.000 0.432 186 M N -0.860 118.758 119.600 0.031 0.000 2.117 186 M HA -0.227 4.254 4.480 0.001 0.000 0.262 186 M C 2.099 178.412 176.300 0.022 0.000 1.065 186 M CA 1.714 57.030 55.300 0.027 0.000 1.114 186 M CB -0.374 32.244 32.600 0.030 0.000 1.361 186 M HN 0.221 nan 8.290 nan 0.000 0.408 187 E N 0.113 120.326 120.200 0.022 0.000 2.150 187 E HA -0.115 4.236 4.350 0.001 0.000 0.193 187 E C 2.000 178.610 176.600 0.015 0.000 0.985 187 E CA 1.092 57.500 56.400 0.014 0.000 0.814 187 E CB -0.052 29.655 29.700 0.013 0.000 0.752 187 E HN 0.501 nan 8.360 nan 0.000 0.466 188 A N 0.682 123.514 122.820 0.020 0.000 2.067 188 A HA -0.022 4.298 4.320 0.001 0.000 0.217 188 A C 2.010 179.608 177.584 0.022 0.000 1.156 188 A CA 0.578 52.627 52.037 0.020 0.000 0.683 188 A CB -0.158 18.855 19.000 0.022 0.000 0.808 188 A HN 0.115 nan 8.150 nan 0.000 0.455 189 L N -0.661 120.576 121.223 0.023 0.000 2.446 189 L HA 0.077 4.417 4.340 0.001 0.000 0.219 189 L C 1.254 178.134 176.870 0.018 0.000 1.116 189 L CA -0.033 54.821 54.840 0.023 0.000 0.844 189 L CB -0.122 41.951 42.059 0.025 0.000 0.970 189 L HN 0.284 nan 8.230 nan 0.000 0.457 190 S N 1.725 117.434 115.700 0.014 0.000 2.596 190 S HA 0.020 4.491 4.470 0.001 0.000 0.298 190 S C -1.173 173.433 174.600 0.010 0.000 1.255 190 S CA -0.952 57.255 58.200 0.010 0.000 1.083 190 S CB 0.502 63.705 63.200 0.006 0.000 0.837 190 S HN 0.118 nan 8.310 nan 0.000 0.499 191 P HA 0.137 nan 4.420 nan 0.000 0.253 191 P C -0.279 177.025 177.300 0.007 0.000 1.260 191 P CA -0.089 63.016 63.100 0.008 0.000 0.800 191 P CB 0.160 31.864 31.700 0.008 0.000 1.162 198 S N 1.080 116.766 115.700 -0.024 0.000 2.566 198 S HA 0.118 4.588 4.470 0.001 0.000 0.280 198 S C 1.164 175.713 174.600 -0.086 0.000 1.343 198 S CA -0.451 57.715 58.200 -0.057 0.000 1.036 198 S CB 0.112 63.328 63.200 0.027 0.000 0.866 198 S HN 0.519 nan 8.310 nan 0.000 0.526 199 L N 4.773 125.966 121.223 -0.049 0.000 2.628 199 L HA 0.116 4.457 4.340 0.001 0.000 0.229 199 L C 1.767 178.740 176.870 0.172 0.000 1.137 199 L CA -0.104 54.772 54.840 0.060 0.000 0.909 199 L CB -0.151 41.936 42.059 0.048 0.000 1.137 199 L HN 0.548 nan 8.230 nan 0.000 0.470 200 V N 1.161 121.142 119.914 0.112 0.000 2.287 200 V HA -0.183 3.937 4.120 0.001 0.000 0.248 200 V C -0.087 176.064 176.094 0.096 0.000 1.053 200 V CA 2.101 64.459 62.300 0.097 0.000 1.027 200 V CB -1.168 30.696 31.823 0.068 0.000 0.646 200 V HN 0.353 nan 8.190 nan 0.000 0.447 201 P HA -0.211 nan 4.420 nan 0.000 0.215 201 P C 1.746 179.084 177.300 0.064 0.000 1.157 201 P CA 1.612 64.777 63.100 0.108 0.000 0.874 201 P CB -0.159 31.670 31.700 0.215 0.000 0.790 202 F N -0.154 119.817 119.950 0.036 0.000 2.095 202 F HA -0.181 4.346 4.527 0.001 0.000 0.298 202 F C 1.968 177.735 175.800 -0.055 0.000 1.104 202 F CA 1.297 59.294 58.000 -0.004 0.000 1.232 202 F CB -0.910 38.139 39.000 0.081 0.000 0.987 202 F HN -0.233 nan 8.300 nan 0.000 0.475 203 I N 0.917 121.429 120.570 -0.098 0.000 2.493 203 I HA -0.252 3.918 4.170 0.001 0.000 0.254 203 I C 1.953 177.889 176.117 -0.302 0.000 1.160 203 I CA 1.427 62.602 61.300 -0.208 0.000 1.445 203 I CB -0.916 37.136 38.000 0.085 0.000 1.086 203 I HN 0.215 nan 8.210 nan 0.000 0.433 204 N N -0.430 118.153 118.700 -0.196 0.000 2.142 204 N HA -0.192 4.548 4.740 0.001 0.000 0.186 204 N C 1.730 177.075 175.510 -0.275 0.000 1.023 204 N CA 0.979 53.920 53.050 -0.181 0.000 0.852 204 N CB -0.129 38.303 38.487 -0.091 0.000 0.998 204 N HN 0.205 nan 8.380 nan 0.000 0.424 205 L N 1.215 122.237 121.223 -0.335 0.000 2.093 205 L HA -0.001 4.339 4.340 0.001 0.000 0.208 205 L C 1.742 178.351 176.870 -0.435 0.000 1.085 205 L CA 1.237 55.862 54.840 -0.358 0.000 0.755 205 L CB -0.413 41.398 42.059 -0.415 0.000 0.904 205 L HN 0.219 nan 8.230 nan 0.000 0.435 206 L N -0.978 119.868 121.223 -0.628 0.000 2.046 206 L HA -0.126 4.214 4.340 0.001 0.000 0.208 206 L C 2.470 178.920 176.870 -0.701 0.000 1.077 206 L CA 1.287 55.737 54.840 -0.649 0.000 0.747 206 L CB -1.256 40.339 42.059 -0.773 0.000 0.896 206 L HN 0.453 nan 8.230 nan 0.000 0.432 207 G N 0.408 108.644 108.800 -0.940 0.000 2.476 207 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 207 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 207 G C 1.541 176.286 174.900 -0.257 0.000 1.164 207 G CA 0.973 45.560 45.100 -0.855 0.000 0.768 207 G HN 0.306 nan 8.290 nan 0.000 0.560 208 I N 0.444 120.896 120.570 -0.196 0.000 2.226 208 I HA -0.130 4.040 4.170 0.001 0.000 0.245 208 I C 2.674 178.760 176.117 -0.051 0.000 1.100 208 I CA 0.783 62.050 61.300 -0.055 0.000 1.374 208 I CB -0.196 37.786 38.000 -0.030 0.000 1.057 208 I HN 0.154 nan 8.210 nan 0.000 0.413 209 I N -0.349 120.145 120.570 -0.127 0.000 2.226 209 I HA -0.339 3.831 4.170 0.001 0.000 0.245 209 I C 2.611 178.673 176.117 -0.092 0.000 1.100 209 I CA 1.513 62.738 61.300 -0.125 0.000 1.374 209 I CB -0.479 37.425 38.000 -0.159 0.000 1.057 209 I HN 0.207 nan 8.210 nan 0.000 0.413 210 Y N 1.642 121.844 120.300 -0.163 0.000 2.114 210 Y HA -0.381 4.169 4.550 0.001 0.000 0.282 210 Y C 2.683 178.590 175.900 0.012 0.000 1.165 210 Y CA 2.246 60.307 58.100 -0.065 0.000 1.148 210 Y CB -0.296 38.141 38.460 -0.038 0.000 0.972 210 Y HN 0.128 nan 8.280 nan 0.000 0.504 211 Q N 0.432 120.246 119.800 0.024 0.000 2.123 211 Q HA -0.081 4.259 4.340 0.001 0.000 0.199 211 Q C 2.070 178.078 176.000 0.013 0.000 0.966 211 Q CA 2.062 57.880 55.803 0.026 0.000 0.845 211 Q CB -0.441 28.405 28.738 0.179 0.000 0.907 211 Q HN 0.693 nan 8.270 nan 0.000 0.439 212 I N -0.198 120.371 120.570 -0.002 0.000 2.252 212 I HA -0.244 3.926 4.170 0.001 0.000 0.245 212 I C 2.534 178.598 176.117 -0.089 0.000 1.102 212 I CA 1.285 62.532 61.300 -0.087 0.000 1.385 212 I CB -0.313 37.484 38.000 -0.339 0.000 1.064 212 I HN 0.195 nan 8.210 nan 0.000 0.414 213 R N 1.044 121.466 120.500 -0.131 0.000 2.092 213 R HA -0.227 4.113 4.340 0.001 0.000 0.231 213 R C 1.933 178.194 176.300 -0.066 0.000 1.119 213 R CA 2.110 58.163 56.100 -0.077 0.000 0.970 213 R CB -0.242 29.979 30.300 -0.132 0.000 0.864 213 R HN 0.293 nan 8.270 nan 0.000 0.440 214 D N 0.278 120.551 120.400 -0.213 0.000 2.092 214 D HA -0.183 4.457 4.640 0.001 0.000 0.193 214 D C 1.253 177.532 176.300 -0.034 0.000 0.994 214 D CA 1.835 55.721 54.000 -0.190 0.000 0.828 214 D CB -0.111 40.496 40.800 -0.321 0.000 0.963 214 D HN 0.220 nan 8.370 nan 0.000 0.450 215 D N -1.024 119.393 120.400 0.029 0.000 2.123 215 D HA -0.192 4.448 4.640 0.001 0.000 0.196 215 D C 1.725 178.074 176.300 0.081 0.000 0.992 215 D CA 0.822 54.877 54.000 0.091 0.000 0.833 215 D CB -0.598 40.307 40.800 0.175 0.000 0.954 215 D HN 0.363 nan 8.370 nan 0.000 0.455 216 Y N 1.367 121.647 120.300 -0.033 0.000 2.114 216 Y HA -0.158 4.393 4.550 0.001 0.000 0.284 216 Y C 2.161 178.042 175.900 -0.033 0.000 1.143 216 Y CA 1.422 59.500 58.100 -0.037 0.000 1.135 216 Y CB -0.491 37.923 38.460 -0.076 0.000 0.980 216 Y HN -0.082 nan 8.280 nan 0.000 0.499 217 L N 0.463 121.633 121.223 -0.089 0.000 2.131 217 L HA -0.254 4.086 4.340 0.001 0.000 0.210 217 L C 2.496 179.289 176.870 -0.128 0.000 1.092 217 L CA 1.502 56.248 54.840 -0.157 0.000 0.759 217 L CB -0.798 41.234 42.059 -0.045 0.000 0.903 217 L HN 0.419 nan 8.230 nan 0.000 0.435 218 N N 0.694 119.352 118.700 -0.071 0.000 2.137 218 N HA -0.198 4.542 4.740 0.001 0.000 0.190 218 N C 1.846 177.326 175.510 -0.049 0.000 1.017 218 N CA 1.340 54.370 53.050 -0.033 0.000 0.859 218 N CB 0.112 38.594 38.487 -0.008 0.000 1.002 218 N HN 0.360 nan 8.380 nan 0.000 0.428 219 L N -0.026 121.134 121.223 -0.105 0.000 2.202 219 L HA 0.010 4.351 4.340 0.001 0.000 0.205 219 L C 2.366 179.174 176.870 -0.103 0.000 1.083 219 L CA 0.473 55.262 54.840 -0.085 0.000 0.790 219 L CB -0.196 41.799 42.059 -0.107 0.000 0.942 219 L HN -0.022 nan 8.230 nan 0.000 0.452 220 K N 0.574 120.803 120.400 -0.284 0.000 2.103 220 K HA -0.123 4.198 4.320 0.001 0.000 0.204 220 K C 1.565 178.071 176.600 -0.156 0.000 1.052 220 K CA 1.271 57.373 56.287 -0.308 0.000 0.945 220 K CB -0.174 31.962 32.500 -0.607 0.000 0.722 220 K HN 0.117 nan 8.250 nan 0.000 0.443 221 D N -0.619 119.714 120.400 -0.110 0.000 2.178 221 D HA -0.145 4.496 4.640 0.001 0.000 0.201 221 D C 1.571 177.848 176.300 -0.038 0.000 0.980 221 D CA 0.769 54.726 54.000 -0.071 0.000 0.842 221 D CB -0.207 40.561 40.800 -0.054 0.000 0.948 221 D HN 0.166 nan 8.370 nan 0.000 0.472 222 F N 1.299 121.161 119.950 -0.147 0.000 2.113 222 F HA -0.020 4.507 4.527 -0.000 0.000 0.297 222 F C 1.370 177.100 175.800 -0.117 0.000 1.103 222 F CA 0.899 58.819 58.000 -0.133 0.000 1.248 222 F CB -0.192 38.753 39.000 -0.091 0.000 0.999 222 F HN -0.151 nan 8.300 nan 0.000 0.475 231 A N 0.959 123.715 122.820 -0.107 0.000 2.791 231 A HA -0.257 4.063 4.320 0.001 0.000 0.292 231 A C 1.466 178.941 177.584 -0.182 0.000 1.487 231 A CA 1.079 52.944 52.037 -0.287 0.000 0.760 231 A CB -1.768 16.741 19.000 -0.819 0.000 1.031 231 A HN 0.399 nan 8.150 nan 0.000 0.503 232 E N -0.053 120.127 120.200 -0.033 0.000 2.209 232 E HA -0.189 4.162 4.350 0.001 0.000 0.196 232 E C 1.260 177.841 176.600 -0.031 0.000 0.993 232 E CA 1.397 57.781 56.400 -0.026 0.000 0.819 232 E CB -0.115 29.591 29.700 0.009 0.000 0.745 232 E HN 0.797 nan 8.360 nan 0.000 0.477 233 D N 0.179 120.565 120.400 -0.023 0.000 2.182 233 D HA -0.130 4.510 4.640 0.001 0.000 0.201 233 D C 1.974 178.260 176.300 -0.023 0.000 0.986 233 D CA 0.613 54.611 54.000 -0.004 0.000 0.847 233 D CB -0.158 40.650 40.800 0.013 0.000 0.942 233 D HN 0.282 nan 8.370 nan 0.000 0.467 234 I N 0.420 120.949 120.570 -0.068 0.000 2.202 234 I HA -0.215 3.956 4.170 0.001 0.000 0.242 234 I C 2.197 178.279 176.117 -0.058 0.000 1.091 234 I CA 1.017 62.274 61.300 -0.072 0.000 1.368 234 I CB -0.388 37.538 38.000 -0.122 0.000 1.058 234 I HN -0.050 nan 8.210 nan 0.000 0.410 235 T N 0.208 114.721 114.554 -0.067 0.000 2.759 235 T HA -0.195 4.155 4.350 0.001 0.000 0.269 235 T C 1.658 176.341 174.700 -0.029 0.000 1.042 235 T CA 1.350 63.421 62.100 -0.049 0.000 1.140 235 T CB -0.277 68.560 68.868 -0.051 0.000 0.864 235 T HN 0.408 nan 8.240 nan 0.000 0.455 236 E N 0.095 120.283 120.200 -0.019 0.000 2.347 236 E HA 0.159 4.510 4.350 0.001 0.000 0.196 236 E C 1.559 178.162 176.600 0.005 0.000 1.008 236 E CA 0.273 56.671 56.400 -0.003 0.000 0.852 236 E CB -0.091 29.615 29.700 0.011 0.000 0.783 236 E HN 0.533 nan 8.360 nan 0.000 0.505 237 G N 2.516 111.317 108.800 0.001 0.000 2.160 237 G HA2 -0.360 3.601 3.960 0.001 0.000 0.251 237 G HA3 -0.360 3.601 3.960 0.001 0.000 0.251 237 G C 0.165 175.089 174.900 0.040 0.000 1.008 237 G CA 0.512 45.617 45.100 0.009 0.000 0.724 237 G HN 0.230 nan 8.290 nan 0.000 0.514 238 K N 0.188 120.620 120.400 0.053 0.000 2.448 238 K HA 0.304 4.625 4.320 0.001 0.000 0.278 238 K C 0.899 177.570 176.600 0.117 0.000 1.009 238 K CA -0.610 55.737 56.287 0.100 0.000 0.995 238 K CB 0.074 32.633 32.500 0.098 0.000 0.917 238 K HN 0.006 nan 8.250 nan 0.000 0.481 239 L N 5.333 126.668 121.223 0.186 0.000 2.391 239 L HA 0.049 4.389 4.340 0.001 0.000 0.249 239 L C 0.344 177.356 176.870 0.237 0.000 1.308 239 L CA 0.448 55.390 54.840 0.170 0.000 1.209 239 L CB -1.272 40.914 42.059 0.212 0.000 1.401 239 L HN 0.715 nan 8.230 nan 0.000 0.416 240 S N -0.326 115.471 115.700 0.161 0.000 2.600 240 S HA 0.100 4.570 4.470 0.001 0.000 0.265 240 S C 1.246 175.860 174.600 0.024 0.000 1.325 240 S CA -0.431 57.886 58.200 0.196 0.000 1.002 240 S CB 0.752 64.030 63.200 0.130 0.000 0.921 240 S HN 0.400 nan 8.310 nan 0.000 0.554 241 F N 2.417 122.208 119.950 -0.265 0.000 2.120 241 F HA 0.046 4.573 4.527 0.000 0.000 0.300 241 F C -1.108 174.529 175.800 -0.272 0.000 1.095 241 F CA 1.500 59.129 58.000 -0.618 0.000 1.249 241 F CB -1.232 37.418 39.000 -0.584 0.000 0.995 241 F HN 0.483 nan 8.300 nan 0.000 0.480 242 P HA -0.144 nan 4.420 nan 0.000 0.219 242 P C 1.927 179.206 177.300 -0.036 0.000 1.150 242 P CA 1.222 64.366 63.100 0.074 0.000 0.814 242 P CB -0.031 31.739 31.700 0.117 0.000 0.787 243 I N -1.113 119.423 120.570 -0.057 0.000 2.315 243 I HA -0.132 4.038 4.170 0.001 0.000 0.248 243 I C 2.199 178.230 176.117 -0.142 0.000 1.117 243 I CA 1.334 62.589 61.300 -0.076 0.000 1.404 243 I CB -1.279 36.695 38.000 -0.044 0.000 1.071 243 I HN -0.131 nan 8.210 nan 0.000 0.419 244 V N 0.815 120.596 119.914 -0.223 0.000 2.295 244 V HA -0.299 3.822 4.120 0.001 0.000 0.246 244 V C 2.624 178.523 176.094 -0.327 0.000 1.049 244 V CA 2.002 64.123 62.300 -0.298 0.000 1.024 244 V CB -0.972 30.593 31.823 -0.430 0.000 0.648 244 V HN 0.495 nan 8.190 nan 0.000 0.447 245 H N 0.788 119.564 119.070 -0.491 0.000 2.293 245 H HA -0.178 4.378 4.556 0.001 0.000 0.300 245 H C 2.275 177.442 175.328 -0.269 0.000 1.082 245 H CA 2.171 57.930 56.048 -0.482 0.000 1.308 245 H CB -0.080 29.323 29.762 -0.599 0.000 1.375 245 H HN 0.367 nan 8.280 nan 0.000 0.495 246 A N 1.343 124.063 122.820 -0.166 0.000 1.908 246 A HA -0.140 4.181 4.320 0.001 0.000 0.218 246 A C 2.933 180.461 177.584 -0.092 0.000 1.181 246 A CA 1.609 53.569 52.037 -0.129 0.000 0.627 246 A CB -0.945 18.021 19.000 -0.056 0.000 0.818 246 A HN 0.450 nan 8.150 nan 0.000 0.445 247 L N -0.368 120.788 121.223 -0.113 0.000 2.056 247 L HA -0.178 4.162 4.340 0.001 0.000 0.207 247 L C 2.299 179.190 176.870 0.035 0.000 1.078 247 L CA 1.269 56.080 54.840 -0.049 0.000 0.749 247 L CB -0.563 41.422 42.059 -0.124 0.000 0.901 247 L HN 0.415 nan 8.230 nan 0.000 0.433 248 N N -0.395 118.241 118.700 -0.108 0.000 2.331 248 N HA -0.178 4.562 4.740 0.001 0.000 0.180 248 N C 1.796 177.220 175.510 -0.143 0.000 1.019 248 N CA 1.150 54.121 53.050 -0.132 0.000 0.881 248 N CB -0.145 38.222 38.487 -0.200 0.000 0.972 248 N HN 0.242 nan 8.380 nan 0.000 0.435 249 F N 2.490 122.213 119.950 -0.378 0.000 2.113 249 F HA -0.200 4.327 4.527 0.001 0.000 0.297 249 F C 2.662 178.358 175.800 -0.174 0.000 1.103 249 F CA 1.839 59.628 58.000 -0.351 0.000 1.248 249 F CB -0.593 38.113 39.000 -0.489 0.000 0.999 249 F HN 0.027 nan 8.300 nan 0.000 0.475 250 T N -1.433 113.218 114.554 0.162 0.000 2.788 250 T HA -0.242 4.108 4.350 0.001 0.000 0.268 250 T C 2.003 176.666 174.700 -0.062 0.000 1.044 250 T CA 1.526 63.688 62.100 0.104 0.000 1.139 250 T CB -0.635 68.362 68.868 0.216 0.000 0.867 250 T HN 0.415 nan 8.240 nan 0.000 0.454 251 K N 1.168 121.513 120.400 -0.092 0.000 2.002 251 K HA -0.139 4.182 4.320 0.001 0.000 0.209 251 K C 2.369 178.838 176.600 -0.219 0.000 1.048 251 K CA 1.913 58.044 56.287 -0.261 0.000 0.930 251 K CB -0.780 31.554 32.500 -0.276 0.000 0.714 251 K HN 0.327 nan 8.250 nan 0.000 0.438 252 T N 1.395 115.815 114.554 -0.223 0.000 2.684 252 T HA -0.077 4.274 4.350 0.001 0.000 0.267 252 T C 1.384 175.927 174.700 -0.262 0.000 1.036 252 T CA 1.317 63.276 62.100 -0.236 0.000 1.148 252 T CB -0.074 68.635 68.868 -0.266 0.000 0.863 252 T HN 0.176 nan 8.240 nan 0.000 0.436 253 K N 0.933 121.117 120.400 -0.360 0.000 2.569 253 K HA 0.172 4.492 4.320 0.001 0.000 0.193 253 K C 1.429 177.914 176.600 -0.192 0.000 1.026 253 K CA 0.260 56.347 56.287 -0.333 0.000 1.093 253 K CB -0.631 31.553 32.500 -0.526 0.000 0.849 253 K HN 0.514 nan 8.250 nan 0.000 0.509 254 G N 2.161 110.860 108.800 -0.168 0.000 2.296 254 G HA2 -0.321 3.640 3.960 0.001 0.000 0.282 254 G HA3 -0.321 3.640 3.960 0.001 0.000 0.282 254 G C -0.070 174.780 174.900 -0.083 0.000 1.014 254 G CA 0.286 45.313 45.100 -0.122 0.000 0.812 254 G HN 0.492 nan 8.290 nan 0.000 0.508 255 Q N 0.120 119.881 119.800 -0.066 0.000 3.181 255 Q HA 0.293 4.634 4.340 0.001 0.000 0.293 255 Q C 1.761 177.777 176.000 0.026 0.000 1.406 255 Q CA 0.216 56.017 55.803 -0.003 0.000 1.026 255 Q CB 0.137 28.901 28.738 0.044 0.000 1.630 255 Q HN 0.399 nan 8.270 nan 0.000 0.553 256 T N 0.970 115.523 114.554 -0.001 0.000 2.624 256 T HA -0.253 4.097 4.350 0.001 0.000 0.268 256 T C 1.377 176.117 174.700 0.066 0.000 1.041 256 T CA 1.714 63.824 62.100 0.016 0.000 1.159 256 T CB 0.046 68.907 68.868 -0.011 0.000 0.863 256 T HN 0.553 nan 8.240 nan 0.000 0.434 257 E N 0.115 120.343 120.200 0.047 0.000 2.153 257 E HA -0.155 4.195 4.350 0.001 0.000 0.194 257 E C 2.471 179.107 176.600 0.060 0.000 0.988 257 E CA 0.761 57.190 56.400 0.048 0.000 0.811 257 E CB -0.070 29.649 29.700 0.032 0.000 0.746 257 E HN 0.258 nan 8.360 nan 0.000 0.466 258 Q N -0.380 119.466 119.800 0.075 0.000 2.083 258 Q HA -0.152 4.188 4.340 0.001 0.000 0.198 258 Q C 1.789 177.839 176.000 0.082 0.000 0.969 258 Q CA 1.580 57.429 55.803 0.077 0.000 0.838 258 Q CB -0.273 28.523 28.738 0.096 0.000 0.900 258 Q HN 0.396 nan 8.270 nan 0.000 0.436 259 H N 0.038 119.113 119.070 0.009 0.000 2.290 259 H HA -0.085 4.471 4.556 0.001 0.000 0.298 259 H C 1.382 176.705 175.328 -0.008 0.000 1.087 259 H CA 2.171 58.215 56.048 -0.006 0.000 1.291 259 H CB 0.039 29.790 29.762 -0.019 0.000 1.369 259 H HN 0.254 nan 8.280 nan 0.000 0.492 260 N N 0.186 118.937 118.700 0.085 0.000 2.244 260 N HA -0.129 4.611 4.740 0.001 0.000 0.183 260 N C 1.872 177.367 175.510 -0.024 0.000 1.016 260 N CA 1.192 54.253 53.050 0.019 0.000 0.866 260 N CB -0.289 38.234 38.487 0.060 0.000 0.980 260 N HN 0.488 nan 8.380 nan 0.000 0.430 261 E N 1.209 121.404 120.200 -0.008 0.000 2.072 261 E HA -0.003 4.348 4.350 0.001 0.000 0.191 261 E C 1.890 178.469 176.600 -0.035 0.000 0.985 261 E CA 0.753 57.147 56.400 -0.010 0.000 0.801 261 E CB -0.311 29.395 29.700 0.010 0.000 0.750 261 E HN 0.339 nan 8.360 nan 0.000 0.452 262 I N 0.207 120.740 120.570 -0.062 0.000 2.163 262 I HA -0.299 3.872 4.170 0.001 0.000 0.243 262 I C 2.357 178.413 176.117 -0.102 0.000 1.085 262 I CA 1.023 62.272 61.300 -0.085 0.000 1.347 262 I CB -0.323 37.604 38.000 -0.121 0.000 1.044 262 I HN 0.151 nan 8.210 nan 0.000 0.408 263 L N 0.156 121.291 121.223 -0.147 0.000 2.042 263 L HA -0.233 4.108 4.340 0.001 0.000 0.210 263 L C 2.780 179.612 176.870 -0.064 0.000 1.076 263 L CA 1.547 56.316 54.840 -0.118 0.000 0.749 263 L CB -0.645 41.334 42.059 -0.133 0.000 0.893 263 L HN 0.204 nan 8.230 nan 0.000 0.432 264 R N -0.094 120.377 120.500 -0.048 0.000 2.096 264 R HA -0.118 4.223 4.340 0.001 0.000 0.235 264 R C 2.241 178.526 176.300 -0.026 0.000 1.127 264 R CA 1.239 57.322 56.100 -0.028 0.000 0.968 264 R CB -0.313 29.977 30.300 -0.017 0.000 0.861 264 R HN 0.357 nan 8.270 nan 0.000 0.440 265 I N 0.583 121.136 120.570 -0.029 0.000 2.286 265 I HA -0.234 3.937 4.170 0.001 0.000 0.245 265 I C 2.101 178.201 176.117 -0.030 0.000 1.104 265 I CA 1.034 62.320 61.300 -0.024 0.000 1.397 265 I CB -0.121 37.867 38.000 -0.020 0.000 1.072 265 I HN 0.114 nan 8.210 nan 0.000 0.417 266 L N 0.205 121.407 121.223 -0.036 0.000 2.046 266 L HA -0.224 4.117 4.340 0.001 0.000 0.208 266 L C 2.417 179.271 176.870 -0.027 0.000 1.077 266 L CA 1.371 56.192 54.840 -0.032 0.000 0.747 266 L CB -0.502 41.537 42.059 -0.034 0.000 0.896 266 L HN 0.268 nan 8.230 nan 0.000 0.432 267 L N -0.647 120.559 121.223 -0.029 0.000 2.362 267 L HA -0.177 4.163 4.340 0.001 0.000 0.219 267 L C 2.309 179.163 176.870 -0.026 0.000 1.134 267 L CA 0.645 55.469 54.840 -0.028 0.000 0.807 267 L CB -0.321 41.721 42.059 -0.027 0.000 0.927 267 L HN 0.303 nan 8.230 nan 0.000 0.447 268 L N -0.585 120.624 121.223 -0.024 0.000 2.376 268 L HA -0.053 4.288 4.340 0.001 0.000 0.219 268 L C 0.641 177.498 176.870 -0.022 0.000 1.133 268 L CA 0.005 54.833 54.840 -0.020 0.000 0.816 268 L CB -0.178 41.871 42.059 -0.016 0.000 0.933 268 L HN 0.254 nan 8.230 nan 0.000 0.449 269 R N 0.606 121.091 120.500 -0.025 0.000 3.251 269 R HA -0.162 4.178 4.340 0.001 0.000 0.249 269 R C 0.214 176.499 176.300 -0.025 0.000 0.949 269 R CA 0.700 56.785 56.100 -0.026 0.000 0.645 269 R CB -3.005 27.280 30.300 -0.026 0.000 1.065 269 R HN 0.208 nan 8.270 nan 0.000 0.452 270 T N -1.526 113.012 114.554 -0.027 0.000 2.909 270 T HA 0.412 4.762 4.350 0.001 0.000 0.286 270 T C 0.984 175.667 174.700 -0.028 0.000 1.002 270 T CA -0.076 62.011 62.100 -0.022 0.000 1.074 270 T CB 1.001 69.860 68.868 -0.015 0.000 0.984 270 T HN 0.258 nan 8.240 nan 0.000 0.495 271 S N 2.389 118.080 115.700 -0.015 0.000 2.539 271 S HA 0.145 4.615 4.470 0.001 0.000 0.221 271 S C 0.193 174.804 174.600 0.019 0.000 0.987 271 S CA -0.449 57.746 58.200 -0.010 0.000 0.929 271 S CB 0.100 63.296 63.200 -0.007 0.000 0.832 271 S HN 0.810 nan 8.310 nan 0.000 0.492 272 D N 2.770 123.182 120.400 0.020 0.000 2.346 272 D HA 0.040 4.681 4.640 0.001 0.000 0.260 272 D C 1.100 177.448 176.300 0.079 0.000 1.252 272 D CA 0.185 54.213 54.000 0.046 0.000 0.895 272 D CB 0.702 41.522 40.800 0.034 0.000 1.097 272 D HN 0.095 nan 8.370 nan 0.000 0.489 273 K N 3.495 123.975 120.400 0.133 0.000 2.074 273 K HA -0.218 4.103 4.320 0.001 0.000 0.209 273 K C 0.670 177.403 176.600 0.222 0.000 1.048 273 K CA 1.544 57.981 56.287 0.249 0.000 0.926 273 K CB 0.202 32.843 32.500 0.235 0.000 0.713 273 K HN 0.408 nan 8.250 nan 0.000 0.444 274 D N 0.580 121.057 120.400 0.128 0.000 2.144 274 D HA -0.130 4.510 4.640 0.001 0.000 0.199 274 D C 1.941 178.296 176.300 0.092 0.000 0.984 274 D CA 1.099 55.159 54.000 0.100 0.000 0.834 274 D CB -0.126 40.712 40.800 0.063 0.000 0.955 274 D HN 0.360 nan 8.370 nan 0.000 0.465 275 I N 0.484 121.097 120.570 0.072 0.000 2.353 275 I HA -0.191 3.980 4.170 0.001 0.000 0.248 275 I C 2.155 178.303 176.117 0.051 0.000 1.119 275 I CA 0.861 62.190 61.300 0.049 0.000 1.417 275 I CB -0.072 37.944 38.000 0.026 0.000 1.078 275 I HN -0.111 nan 8.210 nan 0.000 0.421 276 K N 1.015 121.448 120.400 0.056 0.000 2.057 276 K HA -0.109 4.211 4.320 0.001 0.000 0.207 276 K C 2.074 178.756 176.600 0.136 0.000 1.049 276 K CA 1.277 57.572 56.287 0.013 0.000 0.931 276 K CB -0.189 32.206 32.500 -0.176 0.000 0.714 276 K HN 0.221 nan 8.250 nan 0.000 0.440 277 L N 1.014 122.400 121.223 0.270 0.000 2.079 277 L HA -0.225 4.116 4.340 0.001 0.000 0.210 277 L C 2.516 179.463 176.870 0.130 0.000 1.081 277 L CA 1.275 56.260 54.840 0.240 0.000 0.752 277 L CB -0.375 41.783 42.059 0.165 0.000 0.896 277 L HN 0.179 nan 8.230 nan 0.000 0.433 278 K N 0.305 120.765 120.400 0.100 0.000 2.063 278 K HA -0.241 4.079 4.320 0.001 0.000 0.208 278 K C 2.127 178.765 176.600 0.064 0.000 1.048 278 K CA 1.406 57.740 56.287 0.078 0.000 0.928 278 K CB -0.112 32.423 32.500 0.058 0.000 0.713 278 K HN 0.083 nan 8.250 nan 0.000 0.442 279 L N 1.325 122.575 121.223 0.045 0.000 2.056 279 L HA -0.067 4.274 4.340 0.001 0.000 0.207 279 L C 1.852 178.734 176.870 0.020 0.000 1.078 279 L CA 1.515 56.367 54.840 0.021 0.000 0.749 279 L CB -0.290 41.767 42.059 -0.004 0.000 0.901 279 L HN 0.243 nan 8.230 nan 0.000 0.433 280 I N -0.270 120.323 120.570 0.037 0.000 2.286 280 I HA -0.323 3.848 4.170 0.001 0.000 0.248 280 I C 2.631 178.737 176.117 -0.019 0.000 1.115 280 I CA 1.579 62.888 61.300 0.016 0.000 1.392 280 I CB -0.327 37.712 38.000 0.066 0.000 1.065 280 I HN 0.525 nan 8.210 nan 0.000 0.418 281 Q N 1.240 121.058 119.800 0.031 0.000 2.167 281 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 281 Q C 2.179 178.242 176.000 0.104 0.000 0.970 281 Q CA 1.589 57.431 55.803 0.065 0.000 0.855 281 Q CB -0.341 28.536 28.738 0.232 0.000 0.911 281 Q HN 0.502 nan 8.270 nan 0.000 0.438 282 I N 0.237 120.853 120.570 0.077 0.000 2.226 282 I HA -0.247 3.923 4.170 0.001 0.000 0.245 282 I C 1.809 177.933 176.117 0.010 0.000 1.100 282 I CA 0.804 62.144 61.300 0.066 0.000 1.374 282 I CB -0.107 37.916 38.000 0.039 0.000 1.057 282 I HN 0.263 nan 8.210 nan 0.000 0.413 283 L N 0.273 121.479 121.223 -0.028 0.000 2.217 283 L HA -0.156 4.184 4.340 0.001 0.000 0.211 283 L C 2.348 179.152 176.870 -0.110 0.000 1.107 283 L CA 1.547 56.350 54.840 -0.061 0.000 0.783 283 L CB -0.663 41.370 42.059 -0.043 0.000 0.919 283 L HN 0.139 nan 8.230 nan 0.000 0.442 284 E N -0.792 119.300 120.200 -0.181 0.000 2.033 284 E HA -0.080 4.271 4.350 0.001 0.000 0.189 284 E C 2.076 178.484 176.600 -0.320 0.000 0.979 284 E CA 1.420 57.622 56.400 -0.329 0.000 0.802 284 E CB -0.185 29.176 29.700 -0.566 0.000 0.763 284 E HN 0.423 nan 8.360 nan 0.000 0.449 285 F N -0.204 119.735 119.950 -0.018 0.000 2.387 285 F HA 0.065 4.592 4.527 0.000 0.000 0.294 285 F C 2.147 177.936 175.800 -0.018 0.000 1.093 285 F CA 0.770 58.763 58.000 -0.012 0.000 1.420 285 F CB 0.253 39.252 39.000 -0.000 0.000 1.086 285 F HN 0.091 nan 8.300 nan 0.000 0.531 286 D N -0.261 120.219 120.400 0.132 0.000 2.369 286 D HA -0.082 4.559 4.640 0.001 0.000 0.231 286 D C 2.056 178.300 176.300 -0.094 0.000 0.967 286 D CA 1.874 55.920 54.000 0.077 0.000 0.905 286 D CB 0.014 40.874 40.800 0.099 0.000 1.044 286 D HN 0.250 nan 8.370 nan 0.000 0.487 287 T N -2.562 111.832 114.554 -0.266 0.000 3.014 287 T HA 0.090 4.440 4.350 0.001 0.000 0.250 287 T C 0.964 175.331 174.700 -0.555 0.000 1.060 287 T CA 0.483 62.105 62.100 -0.797 0.000 1.040 287 T CB -0.260 68.300 68.868 -0.512 0.000 0.971 287 T HN 0.276 nan 8.240 nan 0.000 0.497 288 N N 0.355 118.906 118.700 -0.248 0.000 2.725 288 N HA -0.233 4.507 4.740 0.001 0.000 0.249 288 N C 0.588 176.023 175.510 -0.125 0.000 1.103 288 N CA 0.382 53.346 53.050 -0.144 0.000 0.707 288 N CB -1.036 37.392 38.487 -0.098 0.000 1.043 288 N HN 0.425 nan 8.380 nan 0.000 0.553 289 S N -0.092 115.538 115.700 -0.117 0.000 2.382 289 S HA -0.064 4.406 4.470 0.001 0.000 0.228 289 S C 1.861 176.455 174.600 -0.009 0.000 1.027 289 S CA 0.833 58.963 58.200 -0.117 0.000 0.991 289 S CB 0.099 63.325 63.200 0.043 0.000 0.823 289 S HN 0.360 nan 8.310 nan 0.000 0.469 290 L N 0.881 122.124 121.223 0.033 0.000 2.056 290 L HA -0.059 4.281 4.340 0.001 0.000 0.207 290 L C 2.788 179.772 176.870 0.189 0.000 1.078 290 L CA 1.157 56.095 54.840 0.163 0.000 0.749 290 L CB -0.714 41.391 42.059 0.078 0.000 0.901 290 L HN 0.313 nan 8.230 nan 0.000 0.433 291 A N -0.599 122.262 122.820 0.068 0.000 1.930 291 A HA -0.272 4.048 4.320 0.001 0.000 0.217 291 A C 2.201 179.787 177.584 0.003 0.000 1.175 291 A CA 1.325 53.379 52.037 0.029 0.000 0.627 291 A CB -0.832 18.172 19.000 0.007 0.000 0.815 291 A HN 0.483 nan 8.150 nan 0.000 0.443 292 Y N 1.248 121.466 120.300 -0.136 0.000 2.224 292 Y HA -0.171 4.380 4.550 0.001 0.000 0.289 292 Y C 2.494 178.354 175.900 -0.067 0.000 1.146 292 Y CA 2.233 60.234 58.100 -0.166 0.000 1.182 292 Y CB -0.456 37.703 38.460 -0.501 0.000 0.983 292 Y HN 0.301 nan 8.280 nan 0.000 0.524 293 T N 0.456 115.050 114.554 0.067 0.000 2.812 293 T HA -0.158 4.193 4.350 0.001 0.000 0.264 293 T C 1.836 176.338 174.700 -0.329 0.000 1.042 293 T CA 1.522 63.615 62.100 -0.013 0.000 1.140 293 T CB -0.244 68.727 68.868 0.170 0.000 0.870 293 T HN 0.296 nan 8.240 nan 0.000 0.445 294 K N 1.523 121.646 120.400 -0.461 0.000 2.044 294 K HA -0.187 4.133 4.320 0.001 0.000 0.210 294 K C 2.318 178.704 176.600 -0.356 0.000 1.049 294 K CA 1.530 57.447 56.287 -0.617 0.000 0.927 294 K CB -0.225 32.033 32.500 -0.403 0.000 0.713 294 K HN 0.257 nan 8.250 nan 0.000 0.443 295 N N -0.155 118.391 118.700 -0.257 0.000 2.188 295 N HA -0.176 4.564 4.740 0.001 0.000 0.184 295 N C 1.862 177.225 175.510 -0.245 0.000 1.018 295 N CA 0.997 53.914 53.050 -0.222 0.000 0.858 295 N CB -0.127 38.245 38.487 -0.191 0.000 0.989 295 N HN 0.220 nan 8.380 nan 0.000 0.426 296 F N 1.703 121.388 119.950 -0.441 0.000 2.134 296 F HA -0.016 4.512 4.527 0.001 0.000 0.299 296 F C 2.233 177.820 175.800 -0.355 0.000 1.097 296 F CA 1.049 58.801 58.000 -0.413 0.000 1.264 296 F CB -0.147 38.576 39.000 -0.462 0.000 1.001 296 F HN -0.024 nan 8.300 nan 0.000 0.479 297 I N 0.293 120.742 120.570 -0.203 0.000 2.142 297 I HA -0.366 3.805 4.170 0.001 0.000 0.240 297 I C 2.058 178.025 176.117 -0.248 0.000 1.078 297 I CA 1.944 63.097 61.300 -0.245 0.000 1.343 297 I CB -0.834 36.983 38.000 -0.305 0.000 1.046 297 I HN 0.181 nan 8.210 nan 0.000 0.405 298 N N 0.224 118.779 118.700 -0.242 0.000 2.094 298 N HA -0.265 4.475 4.740 0.001 0.000 0.191 298 N C 1.872 177.266 175.510 -0.193 0.000 1.023 298 N CA 1.284 54.218 53.050 -0.193 0.000 0.857 298 N CB -0.105 38.279 38.487 -0.172 0.000 1.013 298 N HN 0.467 nan 8.380 nan 0.000 0.426 299 Q N 0.525 120.175 119.800 -0.250 0.000 2.119 299 Q HA -0.070 4.271 4.340 0.001 0.000 0.201 299 Q C 2.208 178.053 176.000 -0.258 0.000 0.972 299 Q CA 0.811 56.460 55.803 -0.256 0.000 0.847 299 Q CB -0.044 28.488 28.738 -0.343 0.000 0.903 299 Q HN 0.441 nan 8.270 nan 0.000 0.433 300 L N -0.002 121.027 121.223 -0.323 0.000 2.012 300 L HA -0.198 4.142 4.340 0.001 0.000 0.210 300 L C 2.373 179.135 176.870 -0.179 0.000 1.073 300 L CA 0.929 55.605 54.840 -0.272 0.000 0.748 300 L CB -0.561 41.338 42.059 -0.266 0.000 0.891 300 L HN 0.109 nan 8.230 nan 0.000 0.431 301 V N 0.148 119.967 119.914 -0.158 0.000 2.407 301 V HA -0.268 3.853 4.120 0.001 0.000 0.248 301 V C 2.142 178.203 176.094 -0.055 0.000 1.055 301 V CA 1.732 63.972 62.300 -0.099 0.000 1.049 301 V CB -0.712 31.053 31.823 -0.096 0.000 0.662 301 V HN 0.505 nan 8.190 nan 0.000 0.455 302 N N -0.242 118.416 118.700 -0.071 0.000 2.309 302 N HA -0.063 4.678 4.740 0.001 0.000 0.182 302 N C 1.681 177.194 175.510 0.004 0.000 1.018 302 N CA 1.124 54.153 53.050 -0.035 0.000 0.876 302 N CB -0.322 38.134 38.487 -0.053 0.000 0.972 302 N HN 0.449 nan 8.380 nan 0.000 0.434 303 M N -0.156 119.440 119.600 -0.006 0.000 2.539 303 M HA -0.024 4.456 4.480 0.001 0.000 0.261 303 M C 1.348 177.768 176.300 0.201 0.000 1.069 303 M CA 0.993 56.342 55.300 0.082 0.000 1.081 303 M CB 0.033 32.637 32.600 0.006 0.000 1.412 303 M HN 0.114 nan 8.290 nan 0.000 0.482 304 I N -1.239 119.411 120.570 0.134 0.000 3.136 304 I HA -0.110 4.060 4.170 0.001 0.000 0.262 304 I C 2.033 178.235 176.117 0.142 0.000 1.132 304 I CA 0.340 61.768 61.300 0.213 0.000 1.450 304 I CB -0.168 37.958 38.000 0.210 0.000 1.315 304 I HN 0.064 nan 8.210 nan 0.000 0.460 305 K N 1.239 121.690 120.400 0.085 0.000 2.074 305 K HA -0.146 4.174 4.320 0.001 0.000 0.209 305 K C 0.666 177.293 176.600 0.045 0.000 1.048 305 K CA 1.394 57.715 56.287 0.056 0.000 0.926 305 K CB -0.174 32.342 32.500 0.027 0.000 0.713 305 K HN 0.271 nan 8.250 nan 0.000 0.444 306 N N 1.623 120.350 118.700 0.044 0.000 2.378 306 N HA -0.025 4.715 4.740 0.001 0.000 0.243 306 N C -0.852 174.675 175.510 0.029 0.000 1.137 306 N CA 0.274 53.341 53.050 0.027 0.000 0.862 306 N CB 0.441 38.937 38.487 0.015 0.000 1.116 306 N HN 0.125 nan 8.380 nan 0.000 0.499 307 D N 0.251 120.678 120.400 0.045 0.000 2.557 307 D HA 0.203 4.843 4.640 0.001 0.000 0.236 307 D C 0.794 177.084 176.300 -0.018 0.000 1.154 307 D CA -0.309 53.697 54.000 0.011 0.000 0.985 307 D CB 0.064 40.905 40.800 0.068 0.000 1.010 307 D HN -0.027 nan 8.370 nan 0.000 0.516 308 N N 1.698 120.381 118.700 -0.029 0.000 2.109 308 N HA -0.109 4.632 4.740 0.001 0.000 0.188 308 N C 0.630 176.109 175.510 -0.052 0.000 1.034 308 N CA 0.759 53.790 53.050 -0.031 0.000 0.846 308 N CB 0.089 38.560 38.487 -0.026 0.000 1.010 308 N HN 0.572 nan 8.380 nan 0.000 0.425 309 E N 1.653 121.809 120.200 -0.074 0.000 2.461 309 E HA 0.014 4.365 4.350 0.001 0.000 0.196 309 E C -0.462 176.060 176.600 -0.130 0.000 1.129 309 E CA -0.175 56.168 56.400 -0.094 0.000 0.902 309 E CB -0.467 29.172 29.700 -0.102 0.000 0.963 309 E HN 0.189 nan 8.360 nan 0.000 0.503 310 N N 1.738 120.369 118.700 -0.115 0.000 2.669 310 N HA -0.230 4.511 4.740 0.001 0.000 0.266 310 N C 0.625 176.000 175.510 -0.225 0.000 1.024 310 N CA 0.913 53.890 53.050 -0.121 0.000 0.766 310 N CB -0.557 37.884 38.487 -0.077 0.000 0.898 310 N HN 0.418 nan 8.380 nan 0.000 0.548 311 K N -0.423 119.781 120.400 -0.326 0.000 2.076 311 K HA -0.067 4.253 4.320 0.001 0.000 0.204 311 K C 1.236 177.650 176.600 -0.309 0.000 1.051 311 K CA 1.013 57.020 56.287 -0.466 0.000 0.949 311 K CB 0.106 32.183 32.500 -0.705 0.000 0.726 311 K HN 0.451 nan 8.250 nan 0.000 0.443 312 Y N 0.662 121.016 120.300 0.090 0.000 2.353 312 Y HA 0.175 4.725 4.550 0.001 0.000 0.294 312 Y C 0.987 176.978 175.900 0.152 0.000 1.135 312 Y CA -0.798 57.424 58.100 0.204 0.000 1.176 312 Y CB 0.111 38.728 38.460 0.262 0.000 1.124 312 Y HN -0.162 nan 8.280 nan 0.000 0.537 313 L N 2.806 124.125 121.223 0.161 0.000 2.473 313 L HA 0.084 4.425 4.340 0.001 0.000 0.265 313 L C -1.981 174.909 176.870 0.033 0.000 1.243 313 L CA -1.802 52.972 54.840 -0.109 0.000 0.822 313 L CB -0.093 41.925 42.059 -0.069 0.000 1.101 313 L HN -0.044 nan 8.230 nan 0.000 0.507 331 L N -0.362 120.971 121.223 0.183 0.000 2.013 331 L HA -0.276 4.065 4.340 0.001 0.000 0.212 331 L C 2.573 179.561 176.870 0.196 0.000 1.073 331 L CA 2.305 57.239 54.840 0.156 0.000 0.753 331 L CB -0.264 41.874 42.059 0.132 0.000 0.890 331 L HN 0.516 nan 8.230 nan 0.000 0.432 332 Y N 0.694 121.080 120.300 0.143 0.000 2.128 332 Y HA -0.318 4.233 4.550 0.001 0.000 0.284 332 Y C 2.266 178.336 175.900 0.284 0.000 1.154 332 Y CA 2.202 60.437 58.100 0.225 0.000 1.149 332 Y CB -0.353 38.232 38.460 0.208 0.000 0.976 332 Y HN 0.198 nan 8.280 nan 0.000 0.505 333 I N 0.004 120.722 120.570 0.247 0.000 2.091 333 I HA -0.384 3.787 4.170 0.001 0.000 0.239 333 I C 2.420 178.582 176.117 0.076 0.000 1.061 333 I CA 2.014 63.420 61.300 0.176 0.000 1.317 333 I CB -0.634 37.519 38.000 0.254 0.000 1.031 333 I HN 0.233 nan 8.210 nan 0.000 0.401 334 I N 0.754 121.375 120.570 0.085 0.000 2.315 334 I HA -0.321 3.849 4.170 0.001 0.000 0.251 334 I C 1.736 177.815 176.117 -0.063 0.000 1.125 334 I CA 1.393 62.705 61.300 0.021 0.000 1.392 334 I CB -0.518 37.504 38.000 0.036 0.000 1.065 334 I HN 0.318 nan 8.210 nan 0.000 0.424 335 D N -0.819 119.513 120.400 -0.114 0.000 2.323 335 D HA -0.064 4.576 4.640 0.001 0.000 0.209 335 D C 1.327 177.320 176.300 -0.511 0.000 0.973 335 D CA 1.015 54.854 54.000 -0.270 0.000 0.874 335 D CB -0.017 40.625 40.800 -0.262 0.000 0.930 335 D HN 0.460 nan 8.370 nan 0.000 0.521 336 H N -0.054 118.844 119.070 -0.288 0.000 2.512 336 H HA 0.128 4.685 4.556 0.001 0.000 0.276 336 H C 1.460 176.587 175.328 -0.334 0.000 1.126 336 H CA -0.265 55.518 56.048 -0.441 0.000 1.060 336 H CB 0.794 30.111 29.762 -0.742 0.000 1.646 336 H HN 0.015 nan 8.280 nan 0.000 0.571 337 L N 1.556 122.737 121.223 -0.071 0.000 2.201 337 L HA -0.123 4.217 4.340 0.001 0.000 0.212 337 L C 2.351 179.316 176.870 0.158 0.000 1.105 337 L CA 1.378 56.268 54.840 0.083 0.000 0.775 337 L CB -0.277 41.840 42.059 0.096 0.000 0.913 337 L HN 0.189 nan 8.230 nan 0.000 0.440 338 S N -0.758 114.939 115.700 -0.005 0.000 2.595 338 S HA -0.108 4.363 4.470 0.001 0.000 0.235 338 S C 1.183 175.805 174.600 0.037 0.000 0.974 338 S CA 0.822 59.013 58.200 -0.014 0.000 0.942 338 S CB -0.556 62.594 63.200 -0.084 0.000 0.766 338 S HN 0.739 nan 8.310 nan 0.000 0.536 339 E N 0.332 120.510 120.200 -0.037 0.000 2.624 339 E HA 0.324 4.674 4.350 0.001 0.000 0.210 339 E C 0.329 176.960 176.600 0.053 0.000 0.997 339 E CA -0.491 55.874 56.400 -0.059 0.000 0.999 339 E CB -0.062 29.447 29.700 -0.318 0.000 1.040 339 E HN 0.430 nan 8.360 nan 0.000 0.469 340 L N 0.000 121.304 121.223 0.135 0.000 2.949 340 L HA 0.000 4.340 4.340 0.001 0.000 0.249 340 L CA 0.000 54.864 54.840 0.040 0.000 0.813 340 L CB 0.000 42.030 42.059 -0.049 0.000 0.961 340 L HN 0.000 nan 8.230 nan 0.000 0.502