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 2z7h_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKMEAKIDEL INNDPVWSSQ NESLISKPYN HILLXXXXXX RLNLIVQINR DATA SEQUENCE VMNLPKDQLA IVSQIVELLH NSSLLIDDIE DNAPLRRGQT TSHLIFGVPS DATA SEQUENCE TINTANYMYF RAMQLVSQLT TKEPLYHNLI TIFNEELINL HRGQGLDIYW DATA SEQUENCE RDFLPEIIPT QEMYLNMVMN KTGGLFRLTL RLMEALSPSX XXGHSLVPFI DATA SEQUENCE NLLGIIYQIR DDYLNLKDFQ MXXXXGFAED ITEGKLSFPI VHALNFTKTK DATA SEQUENCE GQTEQHNEIL RILLLRTSDK DIKLKLIQIL EFDTNSLAYT KNFINQLVNM DATA SEQUENCE IKNDNENKYL PXXXXXXXXX XXXXXELLYI IDHLS 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 1.728 122.128 120.400 -0.000 0.000 2.211 5 K HA 0.117 4.438 4.320 0.001 0.000 0.203 5 K C 1.999 178.599 176.600 0.000 0.000 1.050 5 K CA 1.080 57.367 56.287 0.000 0.000 0.945 5 K CB -0.267 32.233 32.500 -0.000 0.000 0.732 5 K HN 0.252 nan 8.250 nan 0.000 0.451 6 M N 0.712 120.312 119.600 0.000 0.000 2.099 6 M HA -0.148 4.332 4.480 0.001 0.000 0.262 6 M C 1.378 177.678 176.300 0.001 0.000 1.067 6 M CA 1.865 57.165 55.300 0.001 0.000 1.124 6 M CB -0.366 32.234 32.600 0.000 0.000 1.353 6 M HN 0.238 nan 8.290 nan 0.000 0.410 7 E N 0.330 120.531 120.200 0.000 0.000 2.118 7 E HA -0.183 4.167 4.350 0.001 0.000 0.195 7 E C 1.972 178.572 176.600 0.000 0.000 0.992 7 E CA 1.384 57.784 56.400 0.000 0.000 0.804 7 E CB -0.228 29.472 29.700 -0.000 0.000 0.741 7 E HN 0.655 nan 8.360 nan 0.000 0.458 8 A N 1.763 124.584 122.820 0.000 0.000 1.873 8 A HA -0.212 4.108 4.320 0.001 0.000 0.215 8 A C 1.988 179.572 177.584 0.001 0.000 1.186 8 A CA 1.525 53.562 52.037 0.000 0.000 0.616 8 A CB -0.265 18.735 19.000 0.000 0.000 0.823 8 A HN 0.049 nan 8.150 nan 0.000 0.442 9 K N -0.448 119.952 120.400 0.001 0.000 2.097 9 K HA -0.006 4.315 4.320 0.001 0.000 0.205 9 K C 1.732 178.333 176.600 0.002 0.000 1.050 9 K CA 1.125 57.413 56.287 0.002 0.000 0.938 9 K CB -0.198 32.303 32.500 0.002 0.000 0.718 9 K HN 0.362 nan 8.250 nan 0.000 0.442 10 I N 1.615 122.186 120.570 0.002 0.000 2.252 10 I HA -0.238 3.933 4.170 0.001 0.000 0.245 10 I C 2.100 178.217 176.117 0.001 0.000 1.102 10 I CA 1.610 62.911 61.300 0.002 0.000 1.385 10 I CB -0.898 37.102 38.000 0.001 0.000 1.064 10 I HN 0.242 nan 8.210 nan 0.000 0.414 11 D N 0.774 121.175 120.400 0.001 0.000 2.117 11 D HA -0.268 4.372 4.640 0.001 0.000 0.197 11 D C 2.191 178.492 176.300 0.001 0.000 0.987 11 D CA 1.429 55.430 54.000 0.001 0.000 0.829 11 D CB 0.046 40.846 40.800 0.000 0.000 0.961 11 D HN 0.365 nan 8.370 nan 0.000 0.460 12 E N -0.728 119.473 120.200 0.002 0.000 2.077 12 E HA -0.204 4.147 4.350 0.001 0.000 0.193 12 E C 2.092 178.695 176.600 0.004 0.000 0.989 12 E CA 0.716 57.118 56.400 0.003 0.000 0.800 12 E CB -0.182 29.520 29.700 0.003 0.000 0.746 12 E HN 0.324 nan 8.360 nan 0.000 0.452 13 L N 1.682 122.908 121.223 0.005 0.000 1.976 13 L HA -0.158 4.182 4.340 0.001 0.000 0.209 13 L C 2.410 179.283 176.870 0.005 0.000 1.071 13 L CA 2.030 56.874 54.840 0.007 0.000 0.746 13 L CB -0.598 41.465 42.059 0.006 0.000 0.890 13 L HN 0.444 nan 8.230 nan 0.000 0.432 14 I N -3.107 117.464 120.570 0.002 0.000 3.176 14 I HA -0.073 4.097 4.170 0.001 0.000 0.275 14 I C 0.965 177.081 176.117 -0.001 0.000 1.298 14 I CA 1.052 62.352 61.300 -0.000 0.000 1.445 14 I CB -0.602 37.397 38.000 -0.002 0.000 1.075 14 I HN 0.309 nan 8.210 nan 0.000 0.482 15 N N 1.811 120.512 118.700 0.001 0.000 2.214 15 N HA 0.213 4.954 4.740 0.001 0.000 0.214 15 N C -0.547 174.964 175.510 0.001 0.000 1.132 15 N CA 0.064 53.114 53.050 -0.000 0.000 0.856 15 N CB 0.300 38.787 38.487 0.000 0.000 1.020 15 N HN 0.500 nan 8.380 nan 0.000 0.509 16 N N 0.452 119.154 118.700 0.003 0.000 2.321 16 N HA 0.187 4.927 4.740 0.001 0.000 0.290 16 N C -1.068 174.446 175.510 0.007 0.000 1.212 16 N CA -0.489 52.565 53.050 0.006 0.000 0.767 16 N CB 1.941 40.434 38.487 0.010 0.000 1.494 16 N HN -0.095 nan 8.380 nan 0.000 0.479 17 D N 1.186 121.592 120.400 0.010 0.000 2.378 17 D HA 0.192 4.832 4.640 0.001 0.000 0.238 17 D C -2.000 174.313 176.300 0.022 0.000 1.180 17 D CA -0.331 53.676 54.000 0.011 0.000 0.895 17 D CB -0.007 40.802 40.800 0.015 0.000 1.192 17 D HN 0.191 nan 8.370 nan 0.000 0.438 18 P HA 0.051 nan 4.420 nan 0.000 0.268 18 P C -0.568 176.784 177.300 0.086 0.000 1.205 18 P CA -0.237 62.885 63.100 0.037 0.000 0.771 18 P CB 0.564 32.269 31.700 0.008 0.000 0.858 19 V N 4.717 124.693 119.914 0.103 0.000 2.508 19 V HA 0.185 4.306 4.120 0.001 0.000 0.281 19 V C -0.245 176.002 176.094 0.256 0.000 1.041 19 V CA 0.020 62.396 62.300 0.128 0.000 1.016 19 V CB 0.111 31.977 31.823 0.073 0.000 0.984 19 V HN 0.618 nan 8.190 nan 0.000 0.478 20 W N 5.420 126.712 121.300 -0.014 0.000 3.132 20 W HA 0.513 5.174 4.660 0.000 0.000 0.337 20 W C -0.271 176.243 176.519 -0.007 0.000 1.082 20 W CA -0.692 56.643 57.345 -0.016 0.000 1.242 20 W CB 2.302 31.753 29.460 -0.015 0.000 1.354 20 W HN 0.650 nan 8.180 nan 0.000 0.461 21 S N 1.550 116.904 115.700 -0.576 0.000 2.690 21 S HA 0.300 4.770 4.470 0.001 0.000 0.291 21 S C 1.091 175.374 174.600 -0.529 0.000 1.138 21 S CA 0.063 58.012 58.200 -0.419 0.000 1.013 21 S CB 1.762 64.774 63.200 -0.313 0.000 1.053 21 S HN 0.536 nan 8.310 nan 0.000 0.539 22 S N 0.840 116.391 115.700 -0.250 0.000 2.419 22 S HA -0.187 4.283 4.470 0.001 0.000 0.233 22 S C 1.545 176.022 174.600 -0.205 0.000 1.016 22 S CA 1.024 59.127 58.200 -0.163 0.000 0.974 22 S CB -0.707 62.451 63.200 -0.070 0.000 0.786 22 S HN 0.694 nan 8.310 nan 0.000 0.492 23 Q N 2.123 121.779 119.800 -0.240 0.000 2.050 23 Q HA 0.057 4.397 4.340 0.001 0.000 0.202 23 Q C 2.148 177.970 176.000 -0.297 0.000 0.980 23 Q CA 1.650 57.327 55.803 -0.209 0.000 0.840 23 Q CB -0.573 28.055 28.738 -0.182 0.000 0.898 23 Q HN 0.560 nan 8.270 nan 0.000 0.424 24 N N 0.343 118.705 118.700 -0.563 0.000 2.069 24 N HA -0.188 4.553 4.740 0.001 0.000 0.191 24 N C 1.673 176.889 175.510 -0.491 0.000 1.031 24 N CA 1.318 53.885 53.050 -0.806 0.000 0.852 24 N CB -0.296 37.043 38.487 -1.913 0.000 1.018 24 N HN 0.252 nan 8.380 nan 0.000 0.423 25 E N 1.008 120.960 120.200 -0.412 0.000 2.085 25 E HA -0.084 4.266 4.350 0.001 0.000 0.194 25 E C 1.740 178.411 176.600 0.118 0.000 0.994 25 E CA 1.458 57.964 56.400 0.176 0.000 0.801 25 E CB -0.162 29.672 29.700 0.223 0.000 0.743 25 E HN 0.236 nan 8.360 nan 0.000 0.453 26 S N 0.097 115.797 115.700 0.001 0.000 2.368 26 S HA -0.072 4.398 4.470 0.001 0.000 0.224 26 S C 1.976 176.578 174.600 0.003 0.000 1.029 26 S CA 1.038 59.245 58.200 0.012 0.000 0.988 26 S CB -0.320 62.870 63.200 -0.016 0.000 0.838 26 S HN 0.250 nan 8.310 nan 0.000 0.462 27 L N 1.658 122.864 121.223 -0.027 0.000 2.012 27 L HA -0.093 4.247 4.340 0.001 0.000 0.210 27 L C 2.409 179.280 176.870 0.001 0.000 1.073 27 L CA 1.449 56.278 54.840 -0.020 0.000 0.748 27 L CB -0.738 41.301 42.059 -0.033 0.000 0.891 27 L HN 0.439 nan 8.230 nan 0.000 0.431 28 I N -4.052 116.553 120.570 0.058 0.000 3.291 28 I HA -0.038 4.132 4.170 0.001 0.000 0.279 28 I C 1.639 177.800 176.117 0.074 0.000 1.294 28 I CA 0.639 61.983 61.300 0.073 0.000 1.428 28 I CB -0.014 38.061 38.000 0.124 0.000 1.070 28 I HN 0.016 nan 8.210 nan 0.000 0.478 29 S N 0.904 116.650 115.700 0.078 0.000 2.575 29 S HA 0.145 4.615 4.470 0.001 0.000 0.215 29 S C 1.586 176.186 174.600 0.000 0.000 0.966 29 S CA -0.141 58.117 58.200 0.097 0.000 0.911 29 S CB -0.038 63.241 63.200 0.133 0.000 0.780 29 S HN 0.455 nan 8.310 nan 0.000 0.514 30 K N 1.854 122.155 120.400 -0.166 0.000 2.059 30 K HA -0.140 4.181 4.320 0.001 0.000 0.212 30 K C -0.981 175.224 176.600 -0.657 0.000 1.050 30 K CA 1.644 57.659 56.287 -0.453 0.000 0.927 30 K CB -1.240 30.816 32.500 -0.740 0.000 0.714 30 K HN 0.267 nan 8.250 nan 0.000 0.447 31 P HA -0.175 nan 4.420 nan 0.000 0.217 31 P C 1.042 178.378 177.300 0.060 0.000 1.150 31 P CA 1.120 64.082 63.100 -0.230 0.000 0.832 31 P CB -0.007 31.678 31.700 -0.024 0.000 0.787 32 Y N 0.581 120.860 120.300 -0.036 0.000 2.184 32 Y HA -0.116 4.434 4.550 0.001 0.000 0.290 32 Y C 1.965 177.884 175.900 0.032 0.000 1.129 32 Y CA 1.425 59.535 58.100 0.016 0.000 1.144 32 Y CB -0.763 37.704 38.460 0.011 0.000 0.995 32 Y HN -0.156 nan 8.280 nan 0.000 0.513 33 N N -0.423 118.356 118.700 0.133 0.000 2.205 33 N HA -0.245 4.496 4.740 0.001 0.000 0.186 33 N C 1.671 177.191 175.510 0.015 0.000 1.015 33 N CA 1.752 54.840 53.050 0.064 0.000 0.862 33 N CB -0.718 37.823 38.487 0.090 0.000 0.986 33 N HN 0.570 nan 8.380 nan 0.000 0.429 34 H N 0.631 119.700 119.070 -0.001 0.000 2.357 34 H HA 0.114 4.671 4.556 0.001 0.000 0.301 34 H C 2.006 177.332 175.328 -0.004 0.000 1.082 34 H CA 1.203 57.296 56.048 0.075 0.000 1.342 34 H CB -0.291 29.638 29.762 0.278 0.000 1.389 34 H HN 0.177 nan 8.280 nan 0.000 0.511 35 I N -0.026 120.460 120.570 -0.140 0.000 2.830 35 I HA -0.142 4.028 4.170 0.001 0.000 0.263 35 I C 1.448 177.400 176.117 -0.275 0.000 1.230 35 I CA 0.490 61.657 61.300 -0.222 0.000 1.480 35 I CB -0.003 37.900 38.000 -0.162 0.000 1.095 35 I HN 0.339 nan 8.210 nan 0.000 0.455 36 L N 0.454 121.493 121.223 -0.307 0.000 2.191 36 L HA -0.116 4.225 4.340 0.001 0.000 0.212 36 L C 1.296 178.085 176.870 -0.135 0.000 1.103 36 L CA 0.581 55.285 54.840 -0.226 0.000 0.769 36 L CB -0.361 41.601 42.059 -0.162 0.000 0.908 36 L HN 0.218 nan 8.230 nan 0.000 0.438 45 L N 1.800 122.992 121.223 -0.051 0.000 2.209 45 L HA 0.173 4.514 4.340 0.001 0.000 0.207 45 L C 1.697 178.540 176.870 -0.044 0.000 1.094 45 L CA 2.052 56.867 54.840 -0.042 0.000 0.790 45 L CB -0.439 41.603 42.059 -0.028 0.000 0.932 45 L HN 0.066 nan 8.230 nan 0.000 0.447 46 N N -0.432 118.234 118.700 -0.056 0.000 2.166 46 N HA -0.243 4.498 4.740 0.001 0.000 0.186 46 N C 1.830 177.297 175.510 -0.072 0.000 1.019 46 N CA 1.775 54.776 53.050 -0.081 0.000 0.856 46 N CB -0.323 38.083 38.487 -0.134 0.000 0.993 46 N HN 0.420 nan 8.380 nan 0.000 0.426 47 L N 0.356 121.551 121.223 -0.046 0.000 2.017 47 L HA 0.018 4.358 4.340 0.001 0.000 0.208 47 L C 2.020 178.890 176.870 0.001 0.000 1.073 47 L CA 1.506 56.344 54.840 -0.004 0.000 0.745 47 L CB -0.632 41.447 42.059 0.033 0.000 0.894 47 L HN 0.278 nan 8.230 nan 0.000 0.432 48 I N -1.181 119.379 120.570 -0.016 0.000 2.163 48 I HA -0.318 3.853 4.170 0.001 0.000 0.243 48 I C 2.328 178.436 176.117 -0.015 0.000 1.085 48 I CA 1.537 62.829 61.300 -0.013 0.000 1.347 48 I CB -0.261 37.724 38.000 -0.024 0.000 1.044 48 I HN 0.153 nan 8.210 nan 0.000 0.408 49 V N 0.139 120.038 119.914 -0.026 0.000 2.343 49 V HA -0.283 3.837 4.120 0.001 0.000 0.247 49 V C 2.471 178.546 176.094 -0.032 0.000 1.051 49 V CA 1.582 63.865 62.300 -0.029 0.000 1.036 49 V CB -0.725 31.076 31.823 -0.036 0.000 0.654 49 V HN 0.430 nan 8.190 nan 0.000 0.451 50 Q N -0.196 119.581 119.800 -0.038 0.000 2.061 50 Q HA -0.120 4.221 4.340 0.001 0.000 0.204 50 Q C 2.222 178.204 176.000 -0.030 0.000 0.984 50 Q CA 1.857 57.637 55.803 -0.040 0.000 0.846 50 Q CB -0.565 28.149 28.738 -0.040 0.000 0.902 50 Q HN 0.616 nan 8.270 nan 0.000 0.421 51 I N 1.016 121.579 120.570 -0.010 0.000 2.335 51 I HA -0.275 3.896 4.170 0.001 0.000 0.251 51 I C 2.185 178.290 176.117 -0.020 0.000 1.129 51 I CA 0.964 62.259 61.300 -0.008 0.000 1.402 51 I CB -0.382 37.635 38.000 0.027 0.000 1.069 51 I HN 0.319 nan 8.210 nan 0.000 0.424 52 N N 1.088 119.777 118.700 -0.017 0.000 2.453 52 N HA -0.138 4.602 4.740 0.001 0.000 0.183 52 N C 1.863 177.357 175.510 -0.025 0.000 1.041 52 N CA 0.452 53.491 53.050 -0.018 0.000 0.900 52 N CB 0.134 38.613 38.487 -0.014 0.000 0.961 52 N HN 0.355 nan 8.380 nan 0.000 0.443 53 R N -0.104 120.377 120.500 -0.032 0.000 2.152 53 R HA -0.053 4.288 4.340 0.001 0.000 0.232 53 R C 1.861 178.136 176.300 -0.042 0.000 1.117 53 R CA 0.829 56.908 56.100 -0.035 0.000 0.981 53 R CB 0.105 30.382 30.300 -0.039 0.000 0.870 53 R HN 0.137 nan 8.270 nan 0.000 0.451 54 V N -0.170 119.714 119.914 -0.050 0.000 2.949 54 V HA -0.050 4.070 4.120 0.001 0.000 0.245 54 V C 1.936 178.002 176.094 -0.046 0.000 1.086 54 V CA 0.884 63.148 62.300 -0.061 0.000 1.097 54 V CB -0.010 31.760 31.823 -0.089 0.000 0.762 54 V HN 0.183 nan 8.190 nan 0.000 0.470 55 M N -0.405 119.175 119.600 -0.034 0.000 2.334 55 M HA 0.154 4.634 4.480 0.001 0.000 0.266 55 M C 0.755 177.045 176.300 -0.016 0.000 1.082 55 M CA 0.498 55.785 55.300 -0.022 0.000 1.141 55 M CB -1.050 31.543 32.600 -0.012 0.000 1.380 55 M HN 0.414 nan 8.290 nan 0.000 0.440 56 N N 1.710 120.400 118.700 -0.016 0.000 2.738 56 N HA -0.154 4.586 4.740 0.001 0.000 0.249 56 N C -0.881 174.625 175.510 -0.007 0.000 1.047 56 N CA 0.415 53.458 53.050 -0.012 0.000 0.707 56 N CB -1.728 36.752 38.487 -0.013 0.000 0.937 56 N HN 0.376 nan 8.380 nan 0.000 0.545 57 L N 0.810 122.030 121.223 -0.005 0.000 2.375 57 L HA 0.445 4.785 4.340 0.001 0.000 0.271 57 L C -1.380 175.490 176.870 -0.001 0.000 1.107 57 L CA -1.475 53.365 54.840 -0.000 0.000 0.806 57 L CB 0.424 42.484 42.059 0.002 0.000 1.146 57 L HN -0.090 nan 8.230 nan 0.000 0.447 58 P HA 0.100 nan 4.420 nan 0.000 0.271 58 P C -0.108 177.193 177.300 0.002 0.000 1.216 58 P CA -0.460 62.641 63.100 0.001 0.000 0.776 58 P CB 0.781 32.483 31.700 0.003 0.000 0.881 59 K N 2.456 122.857 120.400 0.000 0.000 2.189 59 K HA -0.238 4.083 4.320 0.001 0.000 0.207 59 K C 1.201 177.803 176.600 0.003 0.000 1.046 59 K CA 2.524 58.812 56.287 0.001 0.000 0.928 59 K CB -0.750 31.750 32.500 0.000 0.000 0.720 59 K HN 0.624 nan 8.250 nan 0.000 0.458 60 D N 0.167 120.570 120.400 0.004 0.000 2.194 60 D HA -0.145 4.496 4.640 0.001 0.000 0.204 60 D C 2.027 178.331 176.300 0.008 0.000 0.964 60 D CA 0.551 54.554 54.000 0.006 0.000 0.846 60 D CB -0.144 40.660 40.800 0.006 0.000 0.962 60 D HN 0.183 nan 8.370 nan 0.000 0.490 61 Q N -0.608 119.197 119.800 0.008 0.000 2.123 61 Q HA -0.024 4.316 4.340 0.001 0.000 0.199 61 Q C 2.033 178.039 176.000 0.010 0.000 0.966 61 Q CA 0.484 56.293 55.803 0.011 0.000 0.845 61 Q CB -0.032 28.714 28.738 0.012 0.000 0.907 61 Q HN 0.328 nan 8.270 nan 0.000 0.439 62 L N 0.375 121.602 121.223 0.007 0.000 2.083 62 L HA -0.108 4.232 4.340 0.001 0.000 0.209 62 L C 2.101 178.974 176.870 0.005 0.000 1.083 62 L CA 1.842 56.684 54.840 0.004 0.000 0.752 62 L CB -0.484 41.575 42.059 0.000 0.000 0.899 62 L HN 0.121 nan 8.230 nan 0.000 0.433 63 A N -0.286 122.537 122.820 0.006 0.000 1.933 63 A HA -0.177 4.143 4.320 0.001 0.000 0.218 63 A C 2.246 179.836 177.584 0.011 0.000 1.175 63 A CA 2.073 54.114 52.037 0.007 0.000 0.628 63 A CB -0.810 18.195 19.000 0.008 0.000 0.814 63 A HN 0.513 nan 8.150 nan 0.000 0.444 64 I N -0.619 119.958 120.570 0.012 0.000 2.353 64 I HA -0.160 4.011 4.170 0.001 0.000 0.248 64 I C 2.275 178.403 176.117 0.018 0.000 1.119 64 I CA 0.785 62.094 61.300 0.015 0.000 1.417 64 I CB -0.292 37.716 38.000 0.015 0.000 1.078 64 I HN 0.135 nan 8.210 nan 0.000 0.421 65 V N 0.079 120.003 119.914 0.016 0.000 2.343 65 V HA -0.302 3.818 4.120 0.001 0.000 0.247 65 V C 2.625 178.728 176.094 0.014 0.000 1.051 65 V CA 2.238 64.549 62.300 0.018 0.000 1.036 65 V CB -0.565 31.265 31.823 0.012 0.000 0.654 65 V HN 0.436 nan 8.190 nan 0.000 0.451 66 S N -0.955 114.750 115.700 0.007 0.000 2.368 66 S HA -0.281 4.189 4.470 0.001 0.000 0.225 66 S C 2.050 176.660 174.600 0.017 0.000 1.030 66 S CA 1.991 60.192 58.200 0.002 0.000 0.999 66 S CB -0.198 63.002 63.200 -0.001 0.000 0.844 66 S HN 0.699 nan 8.310 nan 0.000 0.459 67 Q N 0.082 119.896 119.800 0.024 0.000 2.084 67 Q HA -0.027 4.314 4.340 0.001 0.000 0.202 67 Q C 2.191 178.219 176.000 0.046 0.000 0.978 67 Q CA 1.711 57.535 55.803 0.036 0.000 0.844 67 Q CB -0.265 28.488 28.738 0.026 0.000 0.898 67 Q HN 0.595 nan 8.270 nan 0.000 0.426 68 I N -0.209 120.388 120.570 0.046 0.000 2.179 68 I HA -0.273 3.898 4.170 0.001 0.000 0.242 68 I C 2.183 178.349 176.117 0.081 0.000 1.088 68 I CA 0.897 62.243 61.300 0.076 0.000 1.357 68 I CB -0.292 37.765 38.000 0.096 0.000 1.051 68 I HN 0.043 nan 8.210 nan 0.000 0.409 69 V N 0.466 120.407 119.914 0.044 0.000 2.343 69 V HA -0.234 3.886 4.120 0.001 0.000 0.247 69 V C 2.541 178.665 176.094 0.049 0.000 1.051 69 V CA 1.681 63.988 62.300 0.011 0.000 1.036 69 V CB -0.600 31.197 31.823 -0.044 0.000 0.654 69 V HN 0.383 nan 8.190 nan 0.000 0.451 70 E N 0.045 120.283 120.200 0.064 0.000 2.058 70 E HA -0.194 4.157 4.350 0.001 0.000 0.194 70 E C 2.213 178.935 176.600 0.204 0.000 0.997 70 E CA 1.289 57.762 56.400 0.122 0.000 0.801 70 E CB -0.414 29.354 29.700 0.113 0.000 0.746 70 E HN 0.503 nan 8.360 nan 0.000 0.450 71 L N 0.327 121.653 121.223 0.172 0.000 2.017 71 L HA -0.185 4.156 4.340 0.001 0.000 0.208 71 L C 2.597 179.587 176.870 0.200 0.000 1.073 71 L CA 0.853 55.798 54.840 0.175 0.000 0.745 71 L CB -0.355 41.727 42.059 0.037 0.000 0.894 71 L HN 0.125 nan 8.230 nan 0.000 0.432 72 L N -1.282 120.038 121.223 0.161 0.000 2.046 72 L HA -0.273 4.068 4.340 0.001 0.000 0.208 72 L C 2.659 179.621 176.870 0.154 0.000 1.077 72 L CA 1.353 56.283 54.840 0.150 0.000 0.747 72 L CB -0.747 41.316 42.059 0.006 0.000 0.896 72 L HN 0.351 nan 8.230 nan 0.000 0.432 73 H N 0.622 119.708 119.070 0.026 0.000 2.293 73 H HA -0.147 4.409 4.556 0.001 0.000 0.300 73 H C 2.168 177.523 175.328 0.045 0.000 1.082 73 H CA 2.071 58.112 56.048 -0.012 0.000 1.308 73 H CB 0.024 29.750 29.762 -0.060 0.000 1.375 73 H HN 0.201 nan 8.280 nan 0.000 0.495 74 N N -0.096 118.629 118.700 0.042 0.000 2.120 74 N HA -0.121 4.619 4.740 0.001 0.000 0.188 74 N C 2.088 177.629 175.510 0.052 0.000 1.024 74 N CA 1.376 54.405 53.050 -0.034 0.000 0.852 74 N CB -0.379 38.098 38.487 -0.016 0.000 1.003 74 N HN 0.309 nan 8.380 nan 0.000 0.424 75 S N 0.624 116.437 115.700 0.189 0.000 2.382 75 S HA -0.036 4.434 4.470 0.001 0.000 0.228 75 S C 2.185 176.837 174.600 0.087 0.000 1.027 75 S CA 0.776 59.044 58.200 0.113 0.000 0.991 75 S CB -0.167 63.035 63.200 0.003 0.000 0.823 75 S HN 0.296 nan 8.310 nan 0.000 0.469 76 S N 1.683 117.472 115.700 0.149 0.000 2.370 76 S HA -0.000 4.470 4.470 0.001 0.000 0.226 76 S C 1.770 176.363 174.600 -0.012 0.000 1.033 76 S CA 0.989 59.240 58.200 0.086 0.000 1.011 76 S CB -0.407 62.788 63.200 -0.009 0.000 0.852 76 S HN 0.388 nan 8.310 nan 0.000 0.457 77 L N 0.817 121.987 121.223 -0.088 0.000 2.072 77 L HA -0.046 4.294 4.340 0.001 0.000 0.205 77 L C 2.240 179.111 176.870 0.001 0.000 1.079 77 L CA 0.881 55.672 54.840 -0.082 0.000 0.752 77 L CB -0.630 41.324 42.059 -0.175 0.000 0.906 77 L HN 0.282 nan 8.230 nan 0.000 0.436 78 L N -0.388 120.847 121.223 0.021 0.000 2.042 78 L HA -0.261 4.080 4.340 0.001 0.000 0.210 78 L C 2.583 179.494 176.870 0.068 0.000 1.076 78 L CA 1.147 56.032 54.840 0.074 0.000 0.749 78 L CB -0.393 41.716 42.059 0.083 0.000 0.893 78 L HN 0.257 nan 8.230 nan 0.000 0.432 79 I N -0.216 120.376 120.570 0.038 0.000 2.286 79 I HA -0.266 3.905 4.170 0.001 0.000 0.245 79 I C 2.208 178.331 176.117 0.010 0.000 1.104 79 I CA 1.549 62.866 61.300 0.028 0.000 1.397 79 I CB -1.017 37.020 38.000 0.063 0.000 1.072 79 I HN 0.313 nan 8.210 nan 0.000 0.417 80 D N 1.250 121.657 120.400 0.011 0.000 2.116 80 D HA -0.242 4.399 4.640 0.001 0.000 0.193 80 D C 1.645 177.953 176.300 0.012 0.000 0.998 80 D CA 1.575 55.577 54.000 0.003 0.000 0.836 80 D CB 0.125 40.926 40.800 0.001 0.000 0.951 80 D HN 0.200 nan 8.370 nan 0.000 0.449 81 D N -0.472 119.955 120.400 0.045 0.000 2.219 81 D HA -0.085 4.556 4.640 0.001 0.000 0.205 81 D C 2.176 178.444 176.300 -0.053 0.000 0.970 81 D CA 0.479 54.534 54.000 0.092 0.000 0.851 81 D CB -0.073 40.857 40.800 0.216 0.000 0.943 81 D HN 0.412 nan 8.370 nan 0.000 0.488 82 I N 0.985 121.447 120.570 -0.180 0.000 2.233 82 I HA -0.195 3.975 4.170 0.001 0.000 0.243 82 I C 2.167 178.150 176.117 -0.223 0.000 1.093 82 I CA 0.981 62.011 61.300 -0.451 0.000 1.380 82 I CB -0.120 37.726 38.000 -0.256 0.000 1.067 82 I HN -0.100 nan 8.210 nan 0.000 0.413 83 E N 0.607 120.746 120.200 -0.101 0.000 2.204 83 E HA -0.222 4.129 4.350 0.001 0.000 0.195 83 E C 0.912 177.488 176.600 -0.041 0.000 0.990 83 E CA 1.141 57.509 56.400 -0.054 0.000 0.821 83 E CB -0.027 29.659 29.700 -0.023 0.000 0.750 83 E HN 0.458 nan 8.360 nan 0.000 0.477 84 D N -0.234 120.149 120.400 -0.029 0.000 2.349 84 D HA -0.003 4.638 4.640 0.001 0.000 0.214 84 D C -0.073 176.233 176.300 0.009 0.000 1.063 84 D CA 0.051 54.051 54.000 0.001 0.000 0.847 84 D CB -0.188 40.630 40.800 0.029 0.000 0.933 84 D HN 0.137 nan 8.370 nan 0.000 0.513 85 N N 0.001 118.685 118.700 -0.027 0.000 2.721 85 N HA -0.235 4.506 4.740 0.001 0.000 0.249 85 N C -0.536 175.047 175.510 0.122 0.000 1.072 85 N CA 0.043 53.105 53.050 0.019 0.000 0.710 85 N CB -0.500 37.995 38.487 0.013 0.000 0.993 85 N HN 0.171 nan 8.380 nan 0.000 0.547 86 A N 0.763 123.689 122.820 0.177 0.000 2.366 86 A HA 0.376 4.696 4.320 0.001 0.000 0.272 86 A C -0.940 176.764 177.584 0.201 0.000 1.135 86 A CA -0.999 51.150 52.037 0.186 0.000 0.804 86 A CB 0.611 19.714 19.000 0.171 0.000 1.064 86 A HN 0.301 nan 8.150 nan 0.000 0.499 87 P HA 0.139 nan 4.420 nan 0.000 0.239 87 P C -0.138 177.168 177.300 0.010 0.000 1.188 87 P CA 0.641 63.754 63.100 0.021 0.000 0.794 87 P CB 0.272 31.964 31.700 -0.013 0.000 0.937 88 L N -0.692 120.580 121.223 0.082 0.000 2.409 88 L HA 0.616 4.956 4.340 0.001 0.000 0.262 88 L C -0.256 176.702 176.870 0.148 0.000 0.992 88 L CA -1.080 53.819 54.840 0.098 0.000 0.817 88 L CB 2.732 44.849 42.059 0.096 0.000 1.350 88 L HN -0.319 nan 8.230 nan 0.000 0.411 89 R N 2.588 123.162 120.500 0.123 0.000 2.518 89 R HA 0.472 4.813 4.340 0.001 0.000 0.296 89 R C -1.102 175.254 176.300 0.093 0.000 1.080 89 R CA -0.612 55.555 56.100 0.112 0.000 0.922 89 R CB 0.630 30.984 30.300 0.091 0.000 1.184 89 R HN 0.457 nan 8.270 nan 0.000 0.445 90 R N 3.567 124.131 120.500 0.107 0.000 3.152 90 R HA -0.153 4.188 4.340 0.001 0.000 0.252 90 R C 0.651 177.005 176.300 0.091 0.000 0.930 90 R CA 1.098 57.252 56.100 0.091 0.000 0.642 90 R CB -2.299 28.036 30.300 0.059 0.000 1.205 90 R HN 1.327 nan 8.270 nan 0.000 0.452 91 G N -0.668 108.212 108.800 0.133 0.000 2.205 91 G HA2 -0.409 3.551 3.960 0.001 0.000 0.269 91 G HA3 -0.409 3.551 3.960 0.001 0.000 0.269 91 G C 0.173 175.112 174.900 0.064 0.000 0.977 91 G CA 1.276 46.440 45.100 0.106 0.000 0.652 91 G HN 0.634 nan 8.290 nan 0.000 0.539 92 Q N -0.202 119.637 119.800 0.064 0.000 2.399 92 Q HA 0.611 4.952 4.340 0.001 0.000 0.276 92 Q C 0.043 176.091 176.000 0.080 0.000 1.098 92 Q CA -0.397 55.442 55.803 0.059 0.000 0.827 92 Q CB 1.215 29.977 28.738 0.040 0.000 1.386 92 Q HN 0.166 nan 8.270 nan 0.000 0.443 93 T N 2.444 117.044 114.554 0.078 0.000 2.908 93 T HA 0.037 4.387 4.350 0.001 0.000 0.301 93 T C -0.232 174.518 174.700 0.082 0.000 1.019 93 T CA 0.256 62.372 62.100 0.026 0.000 1.152 93 T CB 0.377 69.211 68.868 -0.057 0.000 0.966 93 T HN 0.553 nan 8.240 nan 0.000 0.540 94 T N 3.687 118.219 114.554 -0.037 0.000 2.940 94 T HA 0.027 4.378 4.350 0.001 0.000 0.309 94 T C 1.694 176.306 174.700 -0.147 0.000 1.056 94 T CA -0.349 61.719 62.100 -0.052 0.000 1.137 94 T CB 0.680 69.448 68.868 -0.166 0.000 0.976 94 T HN 0.605 nan 8.240 nan 0.000 0.547 95 S N 1.713 117.452 115.700 0.065 0.000 2.383 95 S HA -0.192 4.278 4.470 0.001 0.000 0.229 95 S C 1.886 176.524 174.600 0.063 0.000 1.030 95 S CA 1.832 60.097 58.200 0.109 0.000 1.002 95 S CB -0.457 62.950 63.200 0.344 0.000 0.829 95 S HN 0.984 nan 8.310 nan 0.000 0.467 96 H N 0.502 119.624 119.070 0.086 0.000 2.457 96 H HA 0.149 4.706 4.556 0.001 0.000 0.294 96 H C 1.627 176.954 175.328 -0.001 0.000 1.064 96 H CA 1.014 57.101 56.048 0.065 0.000 1.330 96 H CB -0.472 29.323 29.762 0.055 0.000 1.395 96 H HN 0.312 nan 8.280 nan 0.000 0.541 97 L N -0.224 120.720 121.223 -0.464 0.000 2.418 97 L HA 0.075 4.415 4.340 0.001 0.000 0.218 97 L C 1.900 178.597 176.870 -0.289 0.000 1.125 97 L CA 0.450 55.104 54.840 -0.310 0.000 0.835 97 L CB -0.057 41.790 42.059 -0.353 0.000 0.953 97 L HN 0.349 nan 8.230 nan 0.000 0.454 98 I N -1.357 118.962 120.570 -0.419 0.000 2.499 98 I HA -0.120 4.050 4.170 0.001 0.000 0.243 98 I C 1.569 177.273 176.117 -0.687 0.000 1.085 98 I CA 1.145 62.035 61.300 -0.683 0.000 1.422 98 I CB -0.002 37.283 38.000 -1.192 0.000 1.165 98 I HN 0.056 nan 8.210 nan 0.000 0.440 99 F N 1.123 121.021 119.950 -0.087 0.000 2.727 99 F HA 0.430 4.958 4.527 0.001 0.000 0.302 99 F C 1.110 176.912 175.800 0.003 0.000 1.097 99 F CA 0.169 58.150 58.000 -0.031 0.000 1.330 99 F CB -0.116 38.877 39.000 -0.012 0.000 1.084 99 F HN 0.117 nan 8.300 nan 0.000 0.578 100 G N 0.213 109.085 108.800 0.121 0.000 2.675 100 G HA2 -0.148 3.813 3.960 0.001 0.000 0.686 100 G HA3 -0.148 3.813 3.960 0.001 0.000 0.686 100 G C 0.312 175.308 174.900 0.161 0.000 1.215 100 G CA -0.626 44.545 45.100 0.119 0.000 0.777 100 G HN -0.104 nan 8.290 nan 0.000 0.638 101 V N 2.471 122.469 119.914 0.139 0.000 2.332 101 V HA -0.132 3.989 4.120 0.001 0.000 0.248 101 V C 0.688 176.835 176.094 0.088 0.000 1.055 101 V CA 2.977 65.344 62.300 0.113 0.000 1.038 101 V CB -1.130 30.727 31.823 0.057 0.000 0.651 101 V HN 0.673 nan 8.190 nan 0.000 0.450 102 P HA -0.117 nan 4.420 nan 0.000 0.213 102 P C 2.044 179.385 177.300 0.068 0.000 1.170 102 P CA 1.875 65.012 63.100 0.062 0.000 0.898 102 P CB -0.130 31.602 31.700 0.054 0.000 0.787 103 S N -1.307 114.444 115.700 0.086 0.000 2.399 103 S HA -0.114 4.356 4.470 0.001 0.000 0.231 103 S C 1.879 176.531 174.600 0.086 0.000 1.022 103 S CA 1.716 59.965 58.200 0.080 0.000 0.983 103 S CB -1.285 61.973 63.200 0.097 0.000 0.803 103 S HN 0.284 nan 8.310 nan 0.000 0.480 104 T N 2.356 116.983 114.554 0.122 0.000 2.812 104 T HA 0.094 4.445 4.350 0.001 0.000 0.264 104 T C 1.725 176.474 174.700 0.081 0.000 1.042 104 T CA 0.859 63.036 62.100 0.128 0.000 1.140 104 T CB -0.291 68.695 68.868 0.197 0.000 0.870 104 T HN 0.314 nan 8.240 nan 0.000 0.445 105 I N 1.563 122.173 120.570 0.066 0.000 2.142 105 I HA -0.197 3.974 4.170 0.001 0.000 0.240 105 I C 2.576 178.711 176.117 0.030 0.000 1.078 105 I CA 1.310 62.634 61.300 0.039 0.000 1.343 105 I CB -0.421 37.604 38.000 0.043 0.000 1.046 105 I HN 0.228 nan 8.210 nan 0.000 0.405 106 N N 0.408 119.133 118.700 0.042 0.000 2.069 106 N HA -0.187 4.553 4.740 0.001 0.000 0.191 106 N C 1.727 177.272 175.510 0.059 0.000 1.031 106 N CA 2.225 55.299 53.050 0.040 0.000 0.852 106 N CB -0.085 38.414 38.487 0.020 0.000 1.018 106 N HN 0.183 nan 8.380 nan 0.000 0.423 107 T N -0.335 114.259 114.554 0.067 0.000 2.746 107 T HA -0.053 4.298 4.350 0.001 0.000 0.267 107 T C 1.837 176.581 174.700 0.073 0.000 1.039 107 T CA 1.271 63.441 62.100 0.117 0.000 1.142 107 T CB -0.598 68.332 68.868 0.104 0.000 0.866 107 T HN 0.441 nan 8.240 nan 0.000 0.444 108 A N 2.069 124.885 122.820 -0.007 0.000 1.877 108 A HA -0.153 4.167 4.320 0.001 0.000 0.216 108 A C 2.145 179.457 177.584 -0.454 0.000 1.186 108 A CA 1.859 53.795 52.037 -0.167 0.000 0.620 108 A CB -0.887 18.020 19.000 -0.156 0.000 0.822 108 A HN 0.620 nan 8.150 nan 0.000 0.443 109 N N -1.827 116.694 118.700 -0.299 0.000 2.120 109 N HA -0.204 4.537 4.740 0.001 0.000 0.188 109 N C 1.765 177.318 175.510 0.072 0.000 1.024 109 N CA 1.449 54.354 53.050 -0.243 0.000 0.852 109 N CB -0.319 38.214 38.487 0.077 0.000 1.003 109 N HN 0.597 nan 8.380 nan 0.000 0.424 110 Y N 1.815 122.120 120.300 0.009 0.000 2.151 110 Y HA -0.171 4.380 4.550 0.001 0.000 0.284 110 Y C 2.095 178.019 175.900 0.041 0.000 1.166 110 Y CA 1.397 59.547 58.100 0.084 0.000 1.163 110 Y CB -0.242 38.213 38.460 -0.009 0.000 0.974 110 Y HN 0.037 nan 8.280 nan 0.000 0.511 111 M N -1.026 118.469 119.600 -0.175 0.000 2.296 111 M HA -0.222 4.258 4.480 0.001 0.000 0.265 111 M C 2.046 178.277 176.300 -0.116 0.000 1.064 111 M CA 1.183 56.290 55.300 -0.322 0.000 1.109 111 M CB -1.630 30.748 32.600 -0.371 0.000 1.396 111 M HN 0.456 nan 8.290 nan 0.000 0.430 112 Y N -0.838 119.380 120.300 -0.138 0.000 2.145 112 Y HA -0.254 4.297 4.550 0.001 0.000 0.286 112 Y C 2.217 177.972 175.900 -0.243 0.000 1.145 112 Y CA 0.859 58.824 58.100 -0.225 0.000 1.148 112 Y CB -0.506 37.680 38.460 -0.456 0.000 0.981 112 Y HN 0.062 nan 8.280 nan 0.000 0.507 113 F N -0.481 119.576 119.950 0.179 0.000 2.407 113 F HA -0.127 4.401 4.527 0.001 0.000 0.299 113 F C 2.204 177.966 175.800 -0.063 0.000 1.097 113 F CA 0.571 58.612 58.000 0.069 0.000 1.422 113 F CB -0.158 38.887 39.000 0.075 0.000 1.067 113 F HN -0.088 nan 8.300 nan 0.000 0.539 114 R N 0.373 120.842 120.500 -0.052 0.000 2.090 114 R HA 0.011 4.352 4.340 0.001 0.000 0.228 114 R C 2.393 178.641 176.300 -0.086 0.000 1.110 114 R CA 1.099 57.099 56.100 -0.166 0.000 0.973 114 R CB -1.116 28.950 30.300 -0.390 0.000 0.869 114 R HN 0.299 nan 8.270 nan 0.000 0.440 115 A N 1.499 124.303 122.820 -0.025 0.000 1.902 115 A HA -0.157 4.164 4.320 0.001 0.000 0.217 115 A C 2.249 179.789 177.584 -0.073 0.000 1.181 115 A CA 1.455 53.518 52.037 0.044 0.000 0.623 115 A CB -0.477 18.652 19.000 0.214 0.000 0.818 115 A HN 0.272 nan 8.150 nan 0.000 0.443 116 M N -0.835 118.651 119.600 -0.189 0.000 2.080 116 M HA -0.273 4.207 4.480 0.001 0.000 0.260 116 M C 2.394 178.504 176.300 -0.317 0.000 1.068 116 M CA 2.408 57.312 55.300 -0.660 0.000 1.109 116 M CB -0.282 32.067 32.600 -0.418 0.000 1.342 116 M HN 0.612 nan 8.290 nan 0.000 0.405 117 Q N 0.332 120.058 119.800 -0.123 0.000 2.152 117 Q HA -0.198 4.142 4.340 0.001 0.000 0.206 117 Q C 1.896 177.867 176.000 -0.050 0.000 0.985 117 Q CA 1.720 57.488 55.803 -0.057 0.000 0.863 117 Q CB -0.255 28.465 28.738 -0.030 0.000 0.904 117 Q HN 0.640 nan 8.270 nan 0.000 0.422 118 L N -0.316 120.869 121.223 -0.063 0.000 2.265 118 L HA -0.159 4.182 4.340 0.001 0.000 0.215 118 L C 2.219 179.078 176.870 -0.019 0.000 1.117 118 L CA 0.381 55.201 54.840 -0.033 0.000 0.782 118 L CB -0.295 41.750 42.059 -0.023 0.000 0.914 118 L HN 0.167 nan 8.230 nan 0.000 0.441 119 V N -0.133 119.743 119.914 -0.064 0.000 2.392 119 V HA -0.303 3.817 4.120 0.001 0.000 0.249 119 V C 2.668 178.837 176.094 0.125 0.000 1.059 119 V CA 2.051 64.331 62.300 -0.034 0.000 1.051 119 V CB -0.753 30.954 31.823 -0.192 0.000 0.658 119 V HN 0.673 nan 8.190 nan 0.000 0.455 120 S N -0.287 115.538 115.700 0.208 0.000 2.442 120 S HA -0.259 4.211 4.470 0.001 0.000 0.236 120 S C 1.731 176.372 174.600 0.068 0.000 1.007 120 S CA 1.355 59.676 58.200 0.202 0.000 0.965 120 S CB -0.503 62.710 63.200 0.021 0.000 0.773 120 S HN 0.724 nan 8.310 nan 0.000 0.504 121 Q N 0.040 119.867 119.800 0.045 0.000 2.444 121 Q HA 0.289 4.630 4.340 0.001 0.000 0.206 121 Q C 1.467 177.486 176.000 0.032 0.000 0.948 121 Q CA 0.212 56.029 55.803 0.023 0.000 0.946 121 Q CB -0.142 28.603 28.738 0.012 0.000 1.027 121 Q HN 0.616 nan 8.270 nan 0.000 0.513 122 L N -0.869 120.387 121.223 0.055 0.000 2.354 122 L HA 0.097 4.437 4.340 0.001 0.000 0.212 122 L C 0.417 177.319 176.870 0.054 0.000 1.091 122 L CA 0.674 55.544 54.840 0.049 0.000 0.828 122 L CB 0.566 42.655 42.059 0.050 0.000 0.973 122 L HN 0.029 nan 8.230 nan 0.000 0.461 123 T N -2.797 111.801 114.554 0.073 0.000 2.802 123 T HA 0.227 4.578 4.350 0.001 0.000 0.311 123 T C 0.443 175.167 174.700 0.040 0.000 1.405 123 T CA -0.184 61.953 62.100 0.063 0.000 1.016 123 T CB 1.976 70.898 68.868 0.090 0.000 1.352 123 T HN -0.010 nan 8.240 nan 0.000 0.498 124 T N -2.302 112.263 114.554 0.018 0.000 2.985 124 T HA 0.266 4.617 4.350 0.001 0.000 0.254 124 T C 0.531 175.228 174.700 -0.005 0.000 1.021 124 T CA -0.201 61.891 62.100 -0.014 0.000 0.957 124 T CB 0.050 68.909 68.868 -0.015 0.000 1.047 124 T HN 0.464 nan 8.240 nan 0.000 0.511 125 K N 2.270 122.687 120.400 0.028 0.000 2.310 125 K HA 0.128 4.449 4.320 0.001 0.000 0.290 125 K C 1.071 177.717 176.600 0.076 0.000 1.077 125 K CA -0.220 56.091 56.287 0.040 0.000 0.922 125 K CB 0.529 33.054 32.500 0.042 0.000 1.057 125 K HN -0.085 nan 8.250 nan 0.000 0.479 126 E N 3.897 124.133 120.200 0.060 0.000 2.130 126 E HA -0.171 4.179 4.350 0.001 0.000 0.196 126 E C -1.060 175.637 176.600 0.161 0.000 0.998 126 E CA 1.460 57.922 56.400 0.104 0.000 0.806 126 E CB -0.901 28.833 29.700 0.056 0.000 0.738 126 E HN 0.648 nan 8.360 nan 0.000 0.459 127 P HA -0.106 nan 4.420 nan 0.000 0.216 127 P C 1.723 179.094 177.300 0.119 0.000 1.153 127 P CA 0.618 63.770 63.100 0.086 0.000 0.844 127 P CB -0.017 31.708 31.700 0.042 0.000 0.787 128 L N -1.477 119.813 121.223 0.111 0.000 2.027 128 L HA -0.159 4.181 4.340 0.001 0.000 0.206 128 L C 2.348 179.291 176.870 0.121 0.000 1.074 128 L CA 1.755 56.654 54.840 0.098 0.000 0.745 128 L CB -1.663 40.445 42.059 0.082 0.000 0.898 128 L HN -0.087 nan 8.230 nan 0.000 0.433 129 Y N -0.314 120.014 120.300 0.047 0.000 2.069 129 Y HA -0.376 4.174 4.550 0.001 0.000 0.278 129 Y C 2.906 178.832 175.900 0.043 0.000 1.175 129 Y CA 2.451 60.569 58.100 0.030 0.000 1.134 129 Y CB -0.690 37.782 38.460 0.021 0.000 0.965 129 Y HN 0.446 nan 8.280 nan 0.000 0.498 130 H N 0.298 119.386 119.070 0.029 0.000 2.319 130 H HA -0.171 4.386 4.556 0.001 0.000 0.299 130 H C 1.695 176.960 175.328 -0.105 0.000 1.092 130 H CA 2.047 58.067 56.048 -0.047 0.000 1.302 130 H CB -0.180 29.609 29.762 0.044 0.000 1.373 130 H HN 0.415 nan 8.280 nan 0.000 0.497 131 N N 0.761 119.527 118.700 0.108 0.000 2.120 131 N HA -0.109 4.631 4.740 0.001 0.000 0.188 131 N C 2.453 177.938 175.510 -0.042 0.000 1.024 131 N CA 0.805 53.891 53.050 0.059 0.000 0.852 131 N CB -0.556 37.970 38.487 0.065 0.000 1.003 131 N HN 0.368 nan 8.380 nan 0.000 0.424 132 L N 0.529 121.693 121.223 -0.098 0.000 2.046 132 L HA -0.112 4.229 4.340 0.001 0.000 0.208 132 L C 2.080 178.845 176.870 -0.174 0.000 1.077 132 L CA 0.778 55.546 54.840 -0.120 0.000 0.747 132 L CB -0.389 41.585 42.059 -0.142 0.000 0.896 132 L HN 0.113 nan 8.230 nan 0.000 0.432 133 I N -0.128 120.220 120.570 -0.369 0.000 2.226 133 I HA -0.238 3.932 4.170 0.001 0.000 0.245 133 I C 2.569 178.604 176.117 -0.137 0.000 1.100 133 I CA 1.676 62.766 61.300 -0.350 0.000 1.374 133 I CB -1.271 36.400 38.000 -0.548 0.000 1.057 133 I HN 0.275 nan 8.210 nan 0.000 0.413 134 T N 1.521 115.975 114.554 -0.167 0.000 2.759 134 T HA -0.132 4.219 4.350 0.001 0.000 0.269 134 T C 2.060 176.752 174.700 -0.014 0.000 1.042 134 T CA 1.235 63.286 62.100 -0.082 0.000 1.140 134 T CB -0.191 68.645 68.868 -0.054 0.000 0.864 134 T HN 0.218 nan 8.240 nan 0.000 0.455 135 I N 0.121 120.689 120.570 -0.002 0.000 2.142 135 I HA -0.136 4.034 4.170 0.001 0.000 0.240 135 I C 2.114 178.245 176.117 0.024 0.000 1.078 135 I CA 1.441 62.748 61.300 0.012 0.000 1.343 135 I CB -0.414 37.596 38.000 0.017 0.000 1.046 135 I HN 0.182 nan 8.210 nan 0.000 0.405 136 F N 2.096 121.982 119.950 -0.107 0.000 2.065 136 F HA -0.339 4.188 4.527 0.001 0.000 0.298 136 F C 2.457 178.186 175.800 -0.119 0.000 1.112 136 F CA 2.124 60.055 58.000 -0.115 0.000 1.212 136 F CB -0.385 38.536 39.000 -0.132 0.000 0.975 136 F HN 0.083 nan 8.300 nan 0.000 0.476 137 N N 0.705 119.517 118.700 0.186 0.000 2.084 137 N HA -0.201 4.539 4.740 0.001 0.000 0.190 137 N C 1.767 177.243 175.510 -0.057 0.000 1.030 137 N CA 1.971 55.059 53.050 0.065 0.000 0.849 137 N CB -0.353 38.168 38.487 0.057 0.000 1.012 137 N HN 0.523 nan 8.380 nan 0.000 0.423 138 E N -0.050 120.124 120.200 -0.044 0.000 2.051 138 E HA -0.148 4.202 4.350 0.001 0.000 0.192 138 E C 1.553 178.103 176.600 -0.083 0.000 0.991 138 E CA 0.955 57.325 56.400 -0.051 0.000 0.799 138 E CB 0.010 29.694 29.700 -0.028 0.000 0.748 138 E HN 0.360 nan 8.360 nan 0.000 0.449 139 E N 0.394 120.523 120.200 -0.119 0.000 2.216 139 E HA -0.082 4.268 4.350 0.001 0.000 0.192 139 E C 2.140 178.625 176.600 -0.192 0.000 0.988 139 E CA 0.429 56.745 56.400 -0.139 0.000 0.834 139 E CB -0.015 29.601 29.700 -0.141 0.000 0.772 139 E HN 0.277 nan 8.360 nan 0.000 0.479 140 L N 0.162 121.217 121.223 -0.280 0.000 2.109 140 L HA -0.074 4.267 4.340 0.001 0.000 0.207 140 L C 2.351 179.175 176.870 -0.076 0.000 1.086 140 L CA 0.588 55.260 54.840 -0.280 0.000 0.760 140 L CB -0.168 41.590 42.059 -0.502 0.000 0.910 140 L HN 0.065 nan 8.230 nan 0.000 0.437 141 I N -0.197 120.312 120.570 -0.102 0.000 2.179 141 I HA -0.302 3.869 4.170 0.001 0.000 0.242 141 I C 2.166 178.270 176.117 -0.021 0.000 1.088 141 I CA 1.085 62.352 61.300 -0.055 0.000 1.357 141 I CB -0.296 37.669 38.000 -0.057 0.000 1.051 141 I HN 0.332 nan 8.210 nan 0.000 0.409 142 N N 0.642 119.313 118.700 -0.048 0.000 2.104 142 N HA -0.210 4.531 4.740 0.001 0.000 0.190 142 N C 1.798 177.269 175.510 -0.065 0.000 1.024 142 N CA 1.265 54.286 53.050 -0.049 0.000 0.853 142 N CB -0.663 37.793 38.487 -0.051 0.000 1.008 142 N HN 0.220 nan 8.380 nan 0.000 0.424 143 L N 1.481 122.650 121.223 -0.091 0.000 2.013 143 L HA -0.182 4.158 4.340 0.001 0.000 0.212 143 L C 2.048 178.792 176.870 -0.210 0.000 1.073 143 L CA 1.879 56.622 54.840 -0.161 0.000 0.753 143 L CB -0.898 41.019 42.059 -0.236 0.000 0.890 143 L HN 0.315 nan 8.230 nan 0.000 0.432 144 H N -0.576 118.412 119.070 -0.136 0.000 2.457 144 H HA -0.062 4.495 4.556 0.001 0.000 0.294 144 H C 2.356 177.626 175.328 -0.096 0.000 1.064 144 H CA 1.365 57.349 56.048 -0.105 0.000 1.330 144 H CB 0.103 29.805 29.762 -0.100 0.000 1.395 144 H HN 0.431 nan 8.280 nan 0.000 0.541 145 R N 0.070 120.565 120.500 -0.009 0.000 2.066 145 R HA -0.077 4.263 4.340 0.001 0.000 0.232 145 R C 2.733 178.963 176.300 -0.116 0.000 1.131 145 R CA 1.070 57.138 56.100 -0.053 0.000 0.955 145 R CB -0.387 29.885 30.300 -0.048 0.000 0.851 145 R HN 0.257 nan 8.270 nan 0.000 0.432 146 G N 0.369 109.091 108.800 -0.129 0.000 2.402 146 G HA2 -0.323 3.638 3.960 0.001 0.000 0.216 146 G HA3 -0.323 3.638 3.960 0.001 0.000 0.216 146 G C 1.356 176.127 174.900 -0.216 0.000 1.162 146 G CA 0.589 45.580 45.100 -0.182 0.000 0.777 146 G HN 0.246 nan 8.290 nan 0.000 0.539 147 Q N 0.664 120.360 119.800 -0.174 0.000 2.096 147 Q HA 0.014 4.355 4.340 0.001 0.000 0.204 147 Q C 2.543 178.457 176.000 -0.143 0.000 0.982 147 Q CA 2.196 57.904 55.803 -0.158 0.000 0.850 147 Q CB -0.954 27.674 28.738 -0.183 0.000 0.901 147 Q HN 0.316 nan 8.270 nan 0.000 0.422 148 G N 0.428 109.155 108.800 -0.121 0.000 2.446 148 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 148 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 148 G C 1.379 176.182 174.900 -0.162 0.000 1.168 148 G CA 0.952 46.003 45.100 -0.083 0.000 0.771 148 G HN 0.378 nan 8.290 nan 0.000 0.551 149 L N 0.049 121.066 121.223 -0.343 0.000 2.017 149 L HA -0.085 4.256 4.340 0.001 0.000 0.208 149 L C 2.626 178.913 176.870 -0.972 0.000 1.073 149 L CA 1.493 55.894 54.840 -0.732 0.000 0.745 149 L CB -0.411 41.088 42.059 -0.933 0.000 0.894 149 L HN 0.174 nan 8.230 nan 0.000 0.432 150 D N 0.375 120.385 120.400 -0.649 0.000 2.116 150 D HA -0.208 4.432 4.640 0.001 0.000 0.193 150 D C 2.164 178.419 176.300 -0.075 0.000 0.998 150 D CA 1.430 55.244 54.000 -0.310 0.000 0.836 150 D CB -0.032 40.677 40.800 -0.152 0.000 0.951 150 D HN 0.232 nan 8.370 nan 0.000 0.449 151 I N -0.618 119.913 120.570 -0.065 0.000 2.179 151 I HA -0.280 3.890 4.170 0.001 0.000 0.242 151 I C 2.130 178.309 176.117 0.103 0.000 1.088 151 I CA 0.945 62.259 61.300 0.023 0.000 1.357 151 I CB -0.348 37.667 38.000 0.025 0.000 1.051 151 I HN 0.106 nan 8.210 nan 0.000 0.409 152 Y N 0.920 121.236 120.300 0.027 0.000 2.145 152 Y HA -0.292 4.258 4.550 0.001 0.000 0.286 152 Y C 2.307 178.426 175.900 0.365 0.000 1.145 152 Y CA 1.725 59.958 58.100 0.222 0.000 1.148 152 Y CB -0.256 38.244 38.460 0.067 0.000 0.981 152 Y HN 0.117 nan 8.280 nan 0.000 0.507 153 W N 0.665 122.145 121.300 0.300 0.000 2.338 153 W HA -0.208 4.453 4.660 0.000 0.000 0.304 153 W C 2.729 179.294 176.519 0.077 0.000 1.212 153 W CA 1.710 59.175 57.345 0.200 0.000 1.264 153 W CB -1.281 28.277 29.460 0.163 0.000 1.142 153 W HN 0.143 nan 8.180 nan 0.000 0.512 154 R N 0.533 121.200 120.500 0.278 0.000 2.066 154 R HA -0.134 4.207 4.340 0.001 0.000 0.232 154 R C 1.423 177.703 176.300 -0.033 0.000 1.131 154 R CA 1.986 58.153 56.100 0.113 0.000 0.955 154 R CB -0.490 29.861 30.300 0.085 0.000 0.851 154 R HN -0.067 nan 8.270 nan 0.000 0.432 155 D N -0.647 119.677 120.400 -0.127 0.000 2.347 155 D HA -0.069 4.572 4.640 0.001 0.000 0.215 155 D C 0.507 176.320 176.300 -0.812 0.000 0.976 155 D CA 0.856 54.608 54.000 -0.413 0.000 0.884 155 D CB 0.138 40.664 40.800 -0.458 0.000 0.915 155 D HN 0.250 nan 8.370 nan 0.000 0.526 156 F N -0.094 119.710 119.950 -0.242 0.000 2.683 156 F HA 0.234 4.761 4.527 0.001 0.000 0.306 156 F C 0.506 176.252 175.800 -0.091 0.000 1.102 156 F CA -0.799 57.053 58.000 -0.246 0.000 1.244 156 F CB 0.185 38.836 39.000 -0.582 0.000 1.029 156 F HN -0.186 nan 8.300 nan 0.000 0.545 157 L N 4.182 125.415 121.223 0.016 0.000 2.514 157 L HA 0.118 4.458 4.340 0.001 0.000 0.280 157 L C -1.371 175.510 176.870 0.019 0.000 1.223 157 L CA -0.801 54.063 54.840 0.041 0.000 0.864 157 L CB 0.255 42.321 42.059 0.011 0.000 1.118 157 L HN -0.114 nan 8.230 nan 0.000 0.494 158 P HA 0.023 nan 4.420 nan 0.000 0.249 158 P C 0.597 177.947 177.300 0.083 0.000 1.544 158 P CA -0.003 63.125 63.100 0.046 0.000 0.932 158 P CB 0.243 31.966 31.700 0.038 0.000 1.524 159 E N 0.718 120.997 120.200 0.131 0.000 2.070 159 E HA -0.121 4.229 4.350 0.001 0.000 0.197 159 E C 0.162 176.853 176.600 0.152 0.000 1.004 159 E CA 1.006 57.507 56.400 0.168 0.000 0.805 159 E CB -0.009 29.849 29.700 0.263 0.000 0.744 159 E HN 0.317 nan 8.360 nan 0.000 0.451 160 I N 1.670 122.340 120.570 0.167 0.000 2.466 160 I HA 0.228 4.398 4.170 0.001 0.000 0.289 160 I C -0.702 175.368 176.117 -0.078 0.000 1.026 160 I CA -0.806 60.535 61.300 0.069 0.000 1.078 160 I CB 2.064 40.156 38.000 0.152 0.000 1.249 160 I HN 0.005 nan 8.210 nan 0.000 0.429 161 I N 7.879 128.376 120.570 -0.122 0.000 2.330 161 I HA 0.313 4.484 4.170 0.001 0.000 0.286 161 I C -2.056 173.876 176.117 -0.309 0.000 1.025 161 I CA -2.103 59.093 61.300 -0.174 0.000 1.197 161 I CB 0.611 38.571 38.000 -0.067 0.000 1.358 161 I HN 0.246 nan 8.210 nan 0.000 0.467 162 P HA 0.188 nan 4.420 nan 0.000 0.275 162 P C 0.048 177.141 177.300 -0.346 0.000 1.228 162 P CA -0.007 62.696 63.100 -0.662 0.000 0.786 162 P CB 0.775 31.651 31.700 -1.373 0.000 0.927 163 T N -1.865 112.551 114.554 -0.231 0.000 2.862 163 T HA 0.125 4.476 4.350 0.001 0.000 0.276 163 T C 1.299 175.948 174.700 -0.085 0.000 0.974 163 T CA -0.463 61.552 62.100 -0.142 0.000 0.966 163 T CB 0.811 69.632 68.868 -0.078 0.000 1.072 163 T HN 0.476 nan 8.240 nan 0.000 0.538 164 Q N -0.124 119.628 119.800 -0.081 0.000 2.096 164 Q HA -0.212 4.128 4.340 0.001 0.000 0.204 164 Q C 2.160 178.254 176.000 0.157 0.000 0.982 164 Q CA 1.995 57.785 55.803 -0.022 0.000 0.850 164 Q CB -0.162 28.546 28.738 -0.051 0.000 0.901 164 Q HN 0.914 nan 8.270 nan 0.000 0.422 165 E N -0.105 120.165 120.200 0.116 0.000 2.058 165 E HA -0.229 4.121 4.350 0.001 0.000 0.194 165 E C 2.043 178.747 176.600 0.173 0.000 0.997 165 E CA 1.512 58.000 56.400 0.148 0.000 0.801 165 E CB -0.095 29.665 29.700 0.100 0.000 0.746 165 E HN 0.413 nan 8.360 nan 0.000 0.450 166 M N -0.365 119.315 119.600 0.134 0.000 2.080 166 M HA -0.191 4.289 4.480 0.001 0.000 0.260 166 M C 2.275 178.795 176.300 0.367 0.000 1.068 166 M CA 1.707 57.124 55.300 0.194 0.000 1.109 166 M CB -0.506 32.111 32.600 0.030 0.000 1.342 166 M HN 0.269 nan 8.290 nan 0.000 0.405 167 Y N 1.348 121.761 120.300 0.188 0.000 2.097 167 Y HA -0.257 4.293 4.550 0.001 0.000 0.282 167 Y C 1.942 178.021 175.900 0.297 0.000 1.152 167 Y CA 1.816 60.106 58.100 0.316 0.000 1.136 167 Y CB -0.323 38.245 38.460 0.181 0.000 0.975 167 Y HN 0.071 nan 8.280 nan 0.000 0.498 168 L N 0.268 121.733 121.223 0.404 0.000 2.046 168 L HA -0.271 4.069 4.340 0.001 0.000 0.208 168 L C 2.188 179.137 176.870 0.132 0.000 1.077 168 L CA 1.401 56.410 54.840 0.283 0.000 0.747 168 L CB -0.698 41.559 42.059 0.330 0.000 0.896 168 L HN 0.305 nan 8.230 nan 0.000 0.432 169 N N -0.302 118.488 118.700 0.150 0.000 2.166 169 N HA -0.197 4.544 4.740 0.001 0.000 0.186 169 N C 1.836 177.377 175.510 0.051 0.000 1.019 169 N CA 1.205 54.316 53.050 0.102 0.000 0.856 169 N CB -0.270 38.291 38.487 0.122 0.000 0.993 169 N HN 0.279 nan 8.380 nan 0.000 0.426 170 M N 0.889 120.525 119.600 0.060 0.000 2.117 170 M HA -0.073 4.408 4.480 0.001 0.000 0.262 170 M C 1.552 177.773 176.300 -0.131 0.000 1.065 170 M CA 1.187 56.442 55.300 -0.075 0.000 1.114 170 M CB -0.343 32.177 32.600 -0.134 0.000 1.361 170 M HN -0.127 nan 8.290 nan 0.000 0.408 171 V N 0.672 120.486 119.914 -0.167 0.000 2.515 171 V HA -0.270 3.850 4.120 0.001 0.000 0.250 171 V C 2.663 178.732 176.094 -0.041 0.000 1.058 171 V CA 1.186 63.405 62.300 -0.135 0.000 1.064 171 V CB -0.679 31.040 31.823 -0.173 0.000 0.675 171 V HN 0.456 nan 8.190 nan 0.000 0.461 172 M N -0.194 119.394 119.600 -0.019 0.000 2.202 172 M HA -0.148 4.332 4.480 0.001 0.000 0.262 172 M C 1.921 178.215 176.300 -0.011 0.000 1.063 172 M CA 1.582 56.882 55.300 -0.002 0.000 1.097 172 M CB -1.207 31.402 32.600 0.014 0.000 1.382 172 M HN 0.413 nan 8.290 nan 0.000 0.413 173 N N -0.232 118.449 118.700 -0.032 0.000 2.322 173 N HA -0.060 4.680 4.740 0.001 0.000 0.186 173 N C 1.606 177.081 175.510 -0.059 0.000 1.037 173 N CA 0.897 53.919 53.050 -0.045 0.000 0.869 173 N CB -0.226 38.225 38.487 -0.060 0.000 1.036 173 N HN 0.297 nan 8.380 nan 0.000 0.439 174 K N 0.191 120.544 120.400 -0.078 0.000 2.032 174 K HA -0.075 4.245 4.320 0.001 0.000 0.209 174 K C 1.259 177.835 176.600 -0.039 0.000 1.048 174 K CA 1.704 57.940 56.287 -0.085 0.000 0.927 174 K CB 0.043 32.484 32.500 -0.098 0.000 0.712 174 K HN 0.128 nan 8.250 nan 0.000 0.441 175 T N -1.198 113.365 114.554 0.015 0.000 3.046 175 T HA 0.073 4.424 4.350 0.001 0.000 0.242 175 T C 1.695 176.503 174.700 0.181 0.000 1.018 175 T CA 0.561 62.722 62.100 0.100 0.000 1.131 175 T CB 0.094 69.068 68.868 0.177 0.000 0.904 175 T HN 0.421 nan 8.240 nan 0.000 0.459 176 G N 1.174 110.045 108.800 0.117 0.000 2.470 176 G HA2 -0.028 3.933 3.960 0.001 0.000 0.220 176 G HA3 -0.028 3.933 3.960 0.001 0.000 0.220 176 G C 1.604 176.564 174.900 0.101 0.000 1.121 176 G CA 0.945 46.121 45.100 0.126 0.000 0.766 176 G HN 0.539 nan 8.290 nan 0.000 0.553 177 G N 0.911 109.725 108.800 0.023 0.000 2.459 177 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 177 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 177 G C 1.685 176.540 174.900 -0.074 0.000 1.183 177 G CA 0.679 45.754 45.100 -0.041 0.000 0.776 177 G HN 0.402 nan 8.290 nan 0.000 0.552 178 L N -0.882 120.267 121.223 -0.123 0.000 2.217 178 L HA 0.094 4.435 4.340 0.001 0.000 0.211 178 L C 2.710 179.439 176.870 -0.236 0.000 1.107 178 L CA 0.560 55.267 54.840 -0.221 0.000 0.783 178 L CB -0.214 41.658 42.059 -0.312 0.000 0.919 178 L HN 0.177 nan 8.230 nan 0.000 0.442 179 F N 0.017 119.901 119.950 -0.109 0.000 2.113 179 F HA -0.158 4.370 4.527 0.001 0.000 0.297 179 F C 2.731 178.497 175.800 -0.056 0.000 1.103 179 F CA 1.306 59.250 58.000 -0.093 0.000 1.248 179 F CB -0.337 38.599 39.000 -0.106 0.000 0.999 179 F HN -0.085 nan 8.300 nan 0.000 0.475 180 R N -0.346 120.231 120.500 0.130 0.000 2.092 180 R HA -0.131 4.209 4.340 0.001 0.000 0.231 180 R C 2.107 178.420 176.300 0.022 0.000 1.119 180 R CA 1.012 57.154 56.100 0.070 0.000 0.970 180 R CB -0.775 29.551 30.300 0.043 0.000 0.864 180 R HN 0.214 nan 8.270 nan 0.000 0.440 181 L N 1.021 122.229 121.223 -0.025 0.000 1.989 181 L HA -0.178 4.163 4.340 0.001 0.000 0.211 181 L C 1.823 178.678 176.870 -0.025 0.000 1.071 181 L CA 2.075 56.884 54.840 -0.052 0.000 0.749 181 L CB -1.205 40.780 42.059 -0.124 0.000 0.890 181 L HN 0.063 nan 8.230 nan 0.000 0.431 182 T N 0.340 114.871 114.554 -0.038 0.000 2.607 182 T HA -0.243 4.107 4.350 0.001 0.000 0.267 182 T C 1.864 176.572 174.700 0.014 0.000 1.049 182 T CA 2.081 64.167 62.100 -0.023 0.000 1.162 182 T CB -0.601 68.236 68.868 -0.053 0.000 0.863 182 T HN 0.369 nan 8.240 nan 0.000 0.424 183 L N 1.193 122.441 121.223 0.042 0.000 2.017 183 L HA -0.059 4.281 4.340 0.001 0.000 0.208 183 L C 2.507 179.403 176.870 0.044 0.000 1.073 183 L CA 1.745 56.621 54.840 0.060 0.000 0.745 183 L CB -0.455 41.664 42.059 0.100 0.000 0.894 183 L HN 0.110 nan 8.230 nan 0.000 0.432 184 R N -0.783 119.740 120.500 0.038 0.000 2.081 184 R HA -0.133 4.207 4.340 0.001 0.000 0.235 184 R C 2.309 178.624 176.300 0.025 0.000 1.131 184 R CA 1.643 57.762 56.100 0.031 0.000 0.960 184 R CB -0.623 29.692 30.300 0.025 0.000 0.856 184 R HN 0.390 nan 8.270 nan 0.000 0.436 185 L N 0.326 121.562 121.223 0.022 0.000 2.012 185 L HA -0.234 4.106 4.340 0.001 0.000 0.210 185 L C 2.614 179.496 176.870 0.020 0.000 1.073 185 L CA 1.583 56.436 54.840 0.023 0.000 0.748 185 L CB -0.374 41.702 42.059 0.027 0.000 0.891 185 L HN 0.270 nan 8.230 nan 0.000 0.431 186 M N -0.790 118.822 119.600 0.019 0.000 2.067 186 M HA -0.232 4.248 4.480 0.001 0.000 0.260 186 M C 2.154 178.463 176.300 0.014 0.000 1.069 186 M CA 1.771 57.080 55.300 0.016 0.000 1.117 186 M CB -0.462 32.147 32.600 0.015 0.000 1.334 186 M HN 0.196 nan 8.290 nan 0.000 0.407 187 E N 0.306 120.516 120.200 0.018 0.000 2.118 187 E HA -0.190 4.161 4.350 0.001 0.000 0.195 187 E C 2.032 178.642 176.600 0.016 0.000 0.992 187 E CA 1.325 57.734 56.400 0.016 0.000 0.804 187 E CB -0.180 29.534 29.700 0.023 0.000 0.741 187 E HN 0.527 nan 8.360 nan 0.000 0.458 188 A N 0.782 123.614 122.820 0.019 0.000 2.015 188 A HA -0.082 4.239 4.320 0.001 0.000 0.219 188 A C 2.063 179.659 177.584 0.019 0.000 1.163 188 A CA 0.800 52.849 52.037 0.020 0.000 0.646 188 A CB -0.278 18.734 19.000 0.021 0.000 0.806 188 A HN 0.128 nan 8.150 nan 0.000 0.448 189 L N -0.436 120.797 121.223 0.017 0.000 2.446 189 L HA 0.059 4.399 4.340 0.001 0.000 0.219 189 L C 1.347 178.225 176.870 0.012 0.000 1.116 189 L CA 0.047 54.897 54.840 0.017 0.000 0.844 189 L CB -0.190 41.879 42.059 0.017 0.000 0.970 189 L HN 0.327 nan 8.230 nan 0.000 0.457 190 S N 1.720 117.425 115.700 0.009 0.000 2.575 190 S HA 0.029 4.500 4.470 0.001 0.000 0.295 190 S C -1.130 173.472 174.600 0.004 0.000 1.267 190 S CA -0.904 57.297 58.200 0.003 0.000 1.074 190 S CB 0.516 63.715 63.200 -0.001 0.000 0.829 190 S HN 0.124 nan 8.310 nan 0.000 0.497 191 P HA 0.188 nan 4.420 nan 0.000 0.267 191 P C 0.214 177.513 177.300 -0.002 0.000 1.289 191 P CA -0.166 62.935 63.100 0.002 0.000 0.866 191 P CB 0.361 32.063 31.700 0.002 0.000 1.309 197 H N 0.504 119.569 119.070 -0.009 0.000 2.671 197 H HA 0.574 5.130 4.556 0.001 0.000 0.372 197 H C 0.335 175.671 175.328 0.014 0.000 1.227 197 H CA 0.648 56.698 56.048 0.003 0.000 1.426 197 H CB 0.831 30.594 29.762 0.002 0.000 1.480 197 H HN 0.409 nan 8.280 nan 0.000 0.611 198 S N 0.402 116.204 115.700 0.170 0.000 2.560 198 S HA 0.038 4.509 4.470 0.001 0.000 0.284 198 S C 1.299 176.014 174.600 0.191 0.000 1.327 198 S CA -0.733 57.540 58.200 0.122 0.000 1.055 198 S CB -0.104 63.169 63.200 0.123 0.000 0.868 198 S HN 0.580 nan 8.310 nan 0.000 0.506 199 L N 5.254 126.545 121.223 0.113 0.000 2.653 199 L HA 0.118 4.458 4.340 0.001 0.000 0.231 199 L C 1.761 178.771 176.870 0.234 0.000 1.153 199 L CA -0.122 54.822 54.840 0.174 0.000 0.933 199 L CB -0.262 41.849 42.059 0.088 0.000 1.175 199 L HN 0.529 nan 8.230 nan 0.000 0.473 200 V N 1.227 121.245 119.914 0.174 0.000 2.287 200 V HA -0.190 3.930 4.120 0.001 0.000 0.248 200 V C -0.030 176.143 176.094 0.132 0.000 1.053 200 V CA 2.174 64.555 62.300 0.135 0.000 1.027 200 V CB -1.171 30.711 31.823 0.099 0.000 0.646 200 V HN 0.377 nan 8.190 nan 0.000 0.447 201 P HA -0.206 nan 4.420 nan 0.000 0.215 201 P C 1.744 179.092 177.300 0.081 0.000 1.157 201 P CA 1.588 64.769 63.100 0.136 0.000 0.868 201 P CB -0.154 31.692 31.700 0.243 0.000 0.788 202 F N -0.304 119.676 119.950 0.050 0.000 2.134 202 F HA -0.169 4.359 4.527 0.001 0.000 0.299 202 F C 1.927 177.681 175.800 -0.077 0.000 1.097 202 F CA 1.242 59.232 58.000 -0.017 0.000 1.264 202 F CB -0.736 38.308 39.000 0.074 0.000 1.001 202 F HN -0.234 nan 8.300 nan 0.000 0.479 203 I N 1.009 121.575 120.570 -0.006 0.000 2.439 203 I HA -0.240 3.930 4.170 0.001 0.000 0.251 203 I C 1.976 177.929 176.117 -0.274 0.000 1.139 203 I CA 1.399 62.610 61.300 -0.148 0.000 1.438 203 I CB -0.987 37.077 38.000 0.106 0.000 1.085 203 I HN 0.204 nan 8.210 nan 0.000 0.427 204 N N -0.336 118.268 118.700 -0.159 0.000 2.120 204 N HA -0.210 4.530 4.740 0.001 0.000 0.188 204 N C 1.776 177.135 175.510 -0.252 0.000 1.024 204 N CA 1.071 54.031 53.050 -0.151 0.000 0.852 204 N CB -0.144 38.299 38.487 -0.073 0.000 1.003 204 N HN 0.201 nan 8.380 nan 0.000 0.424 205 L N 1.009 122.035 121.223 -0.327 0.000 2.046 205 L HA -0.054 4.287 4.340 0.001 0.000 0.208 205 L C 1.940 178.542 176.870 -0.448 0.000 1.077 205 L CA 1.248 55.863 54.840 -0.375 0.000 0.747 205 L CB -0.689 41.093 42.059 -0.462 0.000 0.896 205 L HN 0.151 nan 8.230 nan 0.000 0.432 206 L N -0.144 120.690 121.223 -0.647 0.000 2.042 206 L HA -0.091 4.250 4.340 0.001 0.000 0.210 206 L C 2.357 178.808 176.870 -0.698 0.000 1.076 206 L CA 2.146 56.565 54.840 -0.702 0.000 0.749 206 L CB -1.382 40.149 42.059 -0.879 0.000 0.893 206 L HN 0.355 nan 8.230 nan 0.000 0.432 207 G N -0.755 107.548 108.800 -0.828 0.000 2.418 207 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 207 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 207 G C 1.638 176.440 174.900 -0.164 0.000 1.158 207 G CA 1.082 45.789 45.100 -0.656 0.000 0.771 207 G HN 0.456 nan 8.290 nan 0.000 0.545 208 I N 0.404 120.883 120.570 -0.151 0.000 2.202 208 I HA -0.104 4.067 4.170 0.001 0.000 0.242 208 I C 2.647 178.742 176.117 -0.037 0.000 1.091 208 I CA 0.768 62.048 61.300 -0.034 0.000 1.368 208 I CB -0.161 37.820 38.000 -0.032 0.000 1.058 208 I HN 0.123 nan 8.210 nan 0.000 0.410 209 I N -0.262 120.235 120.570 -0.121 0.000 2.226 209 I HA -0.353 3.818 4.170 0.001 0.000 0.245 209 I C 2.613 178.693 176.117 -0.061 0.000 1.100 209 I CA 1.605 62.835 61.300 -0.117 0.000 1.374 209 I CB -0.409 37.491 38.000 -0.166 0.000 1.057 209 I HN 0.252 nan 8.210 nan 0.000 0.413 210 Y N 1.556 121.770 120.300 -0.144 0.000 2.128 210 Y HA -0.376 4.174 4.550 0.001 0.000 0.284 210 Y C 2.680 178.601 175.900 0.036 0.000 1.154 210 Y CA 2.151 60.228 58.100 -0.038 0.000 1.149 210 Y CB -0.207 38.254 38.460 0.002 0.000 0.976 210 Y HN 0.122 nan 8.280 nan 0.000 0.505 211 Q N 0.602 120.527 119.800 0.208 0.000 2.083 211 Q HA -0.105 4.236 4.340 0.001 0.000 0.198 211 Q C 2.061 178.122 176.000 0.102 0.000 0.969 211 Q CA 2.183 58.097 55.803 0.184 0.000 0.838 211 Q CB -0.446 28.443 28.738 0.251 0.000 0.900 211 Q HN 0.695 nan 8.270 nan 0.000 0.436 212 I N -0.197 120.406 120.570 0.056 0.000 2.315 212 I HA -0.232 3.939 4.170 0.001 0.000 0.248 212 I C 2.561 178.658 176.117 -0.034 0.000 1.117 212 I CA 1.114 62.396 61.300 -0.031 0.000 1.404 212 I CB -0.330 37.488 38.000 -0.302 0.000 1.071 212 I HN 0.211 nan 8.210 nan 0.000 0.419 213 R N 1.022 121.471 120.500 -0.084 0.000 2.075 213 R HA -0.232 4.109 4.340 0.001 0.000 0.232 213 R C 2.007 178.285 176.300 -0.036 0.000 1.126 213 R CA 2.182 58.250 56.100 -0.053 0.000 0.963 213 R CB -0.268 29.962 30.300 -0.116 0.000 0.858 213 R HN 0.276 nan 8.270 nan 0.000 0.435 214 D N 0.515 120.815 120.400 -0.166 0.000 2.092 214 D HA -0.192 4.449 4.640 0.001 0.000 0.193 214 D C 1.254 177.539 176.300 -0.026 0.000 0.994 214 D CA 1.884 55.786 54.000 -0.164 0.000 0.828 214 D CB -0.242 40.402 40.800 -0.260 0.000 0.963 214 D HN 0.196 nan 8.370 nan 0.000 0.450 215 D N -1.101 119.329 120.400 0.049 0.000 2.104 215 D HA -0.193 4.447 4.640 0.001 0.000 0.194 215 D C 1.797 178.146 176.300 0.082 0.000 0.994 215 D CA 0.940 54.997 54.000 0.095 0.000 0.830 215 D CB -0.690 40.219 40.800 0.182 0.000 0.959 215 D HN 0.354 nan 8.370 nan 0.000 0.452 216 Y N 1.374 121.660 120.300 -0.023 0.000 2.070 216 Y HA -0.163 4.387 4.550 0.001 0.000 0.280 216 Y C 2.185 178.059 175.900 -0.044 0.000 1.148 216 Y CA 1.461 59.543 58.100 -0.031 0.000 1.125 216 Y CB -0.526 37.905 38.460 -0.049 0.000 0.975 216 Y HN -0.077 nan 8.280 nan 0.000 0.492 217 L N 0.606 121.791 121.223 -0.064 0.000 2.191 217 L HA -0.261 4.080 4.340 0.001 0.000 0.212 217 L C 2.445 179.213 176.870 -0.170 0.000 1.103 217 L CA 1.447 56.194 54.840 -0.155 0.000 0.769 217 L CB -0.781 41.254 42.059 -0.041 0.000 0.908 217 L HN 0.436 nan 8.230 nan 0.000 0.438 218 N N 0.796 119.415 118.700 -0.136 0.000 2.223 218 N HA -0.164 4.576 4.740 0.001 0.000 0.185 218 N C 1.774 177.191 175.510 -0.155 0.000 1.016 218 N CA 1.301 54.261 53.050 -0.151 0.000 0.863 218 N CB 0.182 38.598 38.487 -0.119 0.000 0.983 218 N HN 0.375 nan 8.380 nan 0.000 0.429 219 L N -0.153 120.967 121.223 -0.171 0.000 2.316 219 L HA 0.071 4.412 4.340 0.001 0.000 0.207 219 L C 2.376 179.166 176.870 -0.133 0.000 1.070 219 L CA 0.320 55.077 54.840 -0.138 0.000 0.820 219 L CB -0.292 41.681 42.059 -0.142 0.000 0.992 219 L HN -0.065 nan 8.230 nan 0.000 0.466 220 K N 0.834 121.044 120.400 -0.316 0.000 2.057 220 K HA -0.152 4.169 4.320 0.001 0.000 0.206 220 K C 1.630 178.139 176.600 -0.153 0.000 1.050 220 K CA 1.478 57.566 56.287 -0.330 0.000 0.935 220 K CB -0.203 31.897 32.500 -0.666 0.000 0.715 220 K HN 0.154 nan 8.250 nan 0.000 0.439 221 D N -0.578 119.751 120.400 -0.117 0.000 2.178 221 D HA -0.158 4.482 4.640 0.001 0.000 0.201 221 D C 1.678 177.988 176.300 0.017 0.000 0.980 221 D CA 0.823 54.793 54.000 -0.049 0.000 0.842 221 D CB -0.213 40.557 40.800 -0.049 0.000 0.948 221 D HN 0.161 nan 8.370 nan 0.000 0.472 222 F N 1.506 121.390 119.950 -0.110 0.000 2.060 222 F HA -0.133 4.394 4.527 0.001 0.000 0.295 222 F C 2.533 178.302 175.800 -0.051 0.000 1.120 222 F CA 1.416 59.378 58.000 -0.063 0.000 1.205 222 F CB -0.331 38.633 39.000 -0.060 0.000 0.986 222 F HN -0.146 nan 8.300 nan 0.000 0.470 223 Q N 0.319 120.174 119.800 0.092 0.000 2.112 223 Q HA -0.189 4.151 4.340 0.001 0.000 0.206 223 Q C 0.983 176.939 176.000 -0.074 0.000 0.987 223 Q CA 1.195 56.995 55.803 -0.007 0.000 0.858 223 Q CB -0.092 28.640 28.738 -0.010 0.000 0.905 223 Q HN 0.382 nan 8.270 nan 0.000 0.420 230 F N 1.193 121.274 119.950 0.219 0.000 2.647 230 F HA 0.581 5.108 4.527 0.001 0.000 0.300 230 F C 1.480 177.052 175.800 -0.379 0.000 1.106 230 F CA -0.343 57.775 58.000 0.197 0.000 1.313 230 F CB 0.614 39.684 39.000 0.117 0.000 1.007 230 F HN 1.143 nan 8.300 nan 0.000 0.536 231 A N 1.192 123.758 122.820 -0.423 0.000 2.640 231 A HA -0.366 3.955 4.320 0.001 0.000 0.300 231 A C 1.428 178.828 177.584 -0.306 0.000 1.499 231 A CA 1.136 52.882 52.037 -0.485 0.000 0.759 231 A CB -2.315 16.148 19.000 -0.894 0.000 1.048 231 A HN 0.625 nan 8.150 nan 0.000 0.450 232 E N 0.267 120.361 120.200 -0.178 0.000 2.268 232 E HA -0.112 4.238 4.350 0.001 0.000 0.195 232 E C 1.230 177.808 176.600 -0.037 0.000 0.995 232 E CA 1.478 57.874 56.400 -0.006 0.000 0.836 232 E CB -0.065 29.731 29.700 0.160 0.000 0.763 232 E HN 0.667 nan 8.360 nan 0.000 0.491 233 D N -0.164 120.191 120.400 -0.074 0.000 2.218 233 D HA -0.135 4.505 4.640 0.001 0.000 0.204 233 D C 1.750 178.025 176.300 -0.042 0.000 0.976 233 D CA 0.840 54.819 54.000 -0.036 0.000 0.853 233 D CB -0.057 40.726 40.800 -0.028 0.000 0.939 233 D HN 0.353 nan 8.370 nan 0.000 0.481 234 I N 0.531 121.050 120.570 -0.086 0.000 2.233 234 I HA -0.213 3.958 4.170 0.001 0.000 0.243 234 I C 2.182 178.264 176.117 -0.058 0.000 1.093 234 I CA 0.976 62.227 61.300 -0.082 0.000 1.380 234 I CB -0.286 37.636 38.000 -0.130 0.000 1.067 234 I HN -0.050 nan 8.210 nan 0.000 0.413 235 T N 0.226 114.746 114.554 -0.056 0.000 2.803 235 T HA -0.196 4.154 4.350 0.001 0.000 0.269 235 T C 1.666 176.358 174.700 -0.014 0.000 1.052 235 T CA 1.399 63.483 62.100 -0.027 0.000 1.136 235 T CB -0.244 68.623 68.868 -0.002 0.000 0.864 235 T HN 0.428 nan 8.240 nan 0.000 0.467 236 E N -0.098 120.098 120.200 -0.007 0.000 2.230 236 E HA 0.192 4.543 4.350 0.001 0.000 0.192 236 E C 1.682 178.280 176.600 -0.004 0.000 0.987 236 E CA 0.385 56.786 56.400 0.002 0.000 0.841 236 E CB 0.027 29.738 29.700 0.017 0.000 0.783 236 E HN 0.519 nan 8.360 nan 0.000 0.481 237 G N 2.431 111.226 108.800 -0.008 0.000 2.157 237 G HA2 -0.335 3.625 3.960 0.001 0.000 0.248 237 G HA3 -0.335 3.625 3.960 0.001 0.000 0.248 237 G C 0.255 175.170 174.900 0.024 0.000 0.979 237 G CA 0.345 45.441 45.100 -0.006 0.000 0.650 237 G HN 0.234 nan 8.290 nan 0.000 0.529 238 K N 0.637 121.062 120.400 0.042 0.000 2.489 238 K HA 0.216 4.537 4.320 0.001 0.000 0.278 238 K C 0.542 177.210 176.600 0.113 0.000 1.000 238 K CA -0.460 55.881 56.287 0.090 0.000 1.012 238 K CB 0.039 32.593 32.500 0.090 0.000 0.903 238 K HN 0.027 nan 8.250 nan 0.000 0.485 239 L N 5.425 126.764 121.223 0.194 0.000 2.399 239 L HA 0.049 4.389 4.340 0.001 0.000 0.257 239 L C 0.530 177.569 176.870 0.282 0.000 1.236 239 L CA 0.392 55.355 54.840 0.205 0.000 1.144 239 L CB -1.042 41.192 42.059 0.293 0.000 1.379 239 L HN 0.721 nan 8.230 nan 0.000 0.414 240 S N -0.072 115.734 115.700 0.176 0.000 2.608 240 S HA 0.133 4.603 4.470 0.001 0.000 0.261 240 S C 1.231 175.816 174.600 -0.025 0.000 1.314 240 S CA -0.418 57.901 58.200 0.198 0.000 0.992 240 S CB 0.783 64.054 63.200 0.119 0.000 0.935 240 S HN 0.375 nan 8.310 nan 0.000 0.564 241 F N 2.421 122.174 119.950 -0.328 0.000 2.095 241 F HA 0.077 4.604 4.527 0.001 0.000 0.298 241 F C -1.109 174.508 175.800 -0.305 0.000 1.104 241 F CA 1.412 59.003 58.000 -0.682 0.000 1.232 241 F CB -1.424 37.215 39.000 -0.602 0.000 0.987 241 F HN 0.470 nan 8.300 nan 0.000 0.475 242 P HA -0.174 nan 4.420 nan 0.000 0.217 242 P C 2.065 179.294 177.300 -0.118 0.000 1.150 242 P CA 1.455 64.527 63.100 -0.048 0.000 0.832 242 P CB -0.062 31.666 31.700 0.046 0.000 0.787 243 I N -1.081 119.426 120.570 -0.105 0.000 2.252 243 I HA -0.147 4.023 4.170 0.001 0.000 0.245 243 I C 2.217 178.238 176.117 -0.160 0.000 1.102 243 I CA 1.440 62.679 61.300 -0.102 0.000 1.385 243 I CB -1.234 36.731 38.000 -0.059 0.000 1.064 243 I HN -0.135 nan 8.210 nan 0.000 0.414 244 V N 0.802 120.575 119.914 -0.235 0.000 2.332 244 V HA -0.309 3.812 4.120 0.001 0.000 0.248 244 V C 2.632 178.518 176.094 -0.347 0.000 1.055 244 V CA 2.053 64.177 62.300 -0.293 0.000 1.038 244 V CB -1.015 30.580 31.823 -0.381 0.000 0.651 244 V HN 0.499 nan 8.190 nan 0.000 0.450 245 H N 0.719 119.459 119.070 -0.549 0.000 2.321 245 H HA -0.155 4.401 4.556 0.001 0.000 0.300 245 H C 2.263 177.406 175.328 -0.308 0.000 1.087 245 H CA 2.098 57.815 56.048 -0.552 0.000 1.319 245 H CB -0.050 29.273 29.762 -0.733 0.000 1.379 245 H HN 0.376 nan 8.280 nan 0.000 0.501 246 A N 1.334 124.080 122.820 -0.123 0.000 1.908 246 A HA -0.116 4.205 4.320 0.001 0.000 0.218 246 A C 2.920 180.480 177.584 -0.039 0.000 1.181 246 A CA 1.435 53.440 52.037 -0.054 0.000 0.627 246 A CB -0.902 18.080 19.000 -0.031 0.000 0.818 246 A HN 0.444 nan 8.150 nan 0.000 0.445 247 L N -0.376 120.789 121.223 -0.096 0.000 2.093 247 L HA -0.162 4.178 4.340 0.001 0.000 0.208 247 L C 2.308 179.190 176.870 0.020 0.000 1.085 247 L CA 1.137 55.947 54.840 -0.050 0.000 0.755 247 L CB -0.502 41.475 42.059 -0.136 0.000 0.904 247 L HN 0.449 nan 8.230 nan 0.000 0.435 248 N N -0.394 118.236 118.700 -0.116 0.000 2.216 248 N HA -0.167 4.574 4.740 0.001 0.000 0.183 248 N C 1.826 177.251 175.510 -0.142 0.000 1.017 248 N CA 1.120 54.086 53.050 -0.140 0.000 0.861 248 N CB -0.108 38.251 38.487 -0.213 0.000 0.986 248 N HN 0.216 nan 8.380 nan 0.000 0.428 249 F N 2.748 122.472 119.950 -0.378 0.000 2.075 249 F HA -0.221 4.307 4.527 0.001 0.000 0.297 249 F C 2.692 178.396 175.800 -0.161 0.000 1.113 249 F CA 1.994 59.792 58.000 -0.338 0.000 1.218 249 F CB -0.765 37.967 39.000 -0.448 0.000 0.984 249 F HN 0.018 nan 8.300 nan 0.000 0.472 250 T N -1.343 113.265 114.554 0.090 0.000 2.684 250 T HA -0.277 4.073 4.350 0.001 0.000 0.267 250 T C 1.948 176.578 174.700 -0.117 0.000 1.036 250 T CA 1.659 63.772 62.100 0.022 0.000 1.148 250 T CB -0.605 68.377 68.868 0.190 0.000 0.863 250 T HN 0.201 nan 8.240 nan 0.000 0.436 251 K N 1.296 121.634 120.400 -0.103 0.000 2.009 251 K HA -0.077 4.244 4.320 0.001 0.000 0.210 251 K C 2.472 178.937 176.600 -0.225 0.000 1.049 251 K CA 2.168 58.306 56.287 -0.248 0.000 0.929 251 K CB -1.224 31.141 32.500 -0.224 0.000 0.714 251 K HN 0.396 nan 8.250 nan 0.000 0.440 252 T N 0.960 115.376 114.554 -0.229 0.000 2.720 252 T HA -0.067 4.284 4.350 0.001 0.000 0.268 252 T C 1.240 175.771 174.700 -0.282 0.000 1.037 252 T CA 1.370 63.327 62.100 -0.238 0.000 1.144 252 T CB -0.090 68.634 68.868 -0.241 0.000 0.864 252 T HN 0.128 nan 8.240 nan 0.000 0.444 253 K N 0.413 120.564 120.400 -0.414 0.000 2.444 253 K HA 0.255 4.575 4.320 0.001 0.000 0.193 253 K C 1.421 177.872 176.600 -0.249 0.000 1.024 253 K CA 0.361 56.405 56.287 -0.406 0.000 1.077 253 K CB -0.208 31.870 32.500 -0.703 0.000 0.833 253 K HN 0.457 nan 8.250 nan 0.000 0.517 254 G N 1.957 110.632 108.800 -0.208 0.000 2.160 254 G HA2 -0.306 3.655 3.960 0.001 0.000 0.251 254 G HA3 -0.306 3.655 3.960 0.001 0.000 0.251 254 G C -0.178 174.658 174.900 -0.108 0.000 1.008 254 G CA 0.006 45.019 45.100 -0.146 0.000 0.724 254 G HN 0.439 nan 8.290 nan 0.000 0.514 255 Q N 0.491 120.230 119.800 -0.101 0.000 2.844 255 Q HA 0.316 4.657 4.340 0.001 0.000 0.235 255 Q C 1.665 177.665 176.000 0.000 0.000 1.336 255 Q CA 0.273 56.060 55.803 -0.028 0.000 1.026 255 Q CB 0.163 28.915 28.738 0.024 0.000 1.513 255 Q HN 0.399 nan 8.270 nan 0.000 0.577 256 T N 0.750 115.290 114.554 -0.023 0.000 2.684 256 T HA -0.227 4.124 4.350 0.001 0.000 0.267 256 T C 1.606 176.333 174.700 0.045 0.000 1.036 256 T CA 1.685 63.778 62.100 -0.012 0.000 1.148 256 T CB 0.095 68.945 68.868 -0.030 0.000 0.863 256 T HN 0.488 nan 8.240 nan 0.000 0.436 257 E N 0.978 121.200 120.200 0.037 0.000 2.072 257 E HA -0.128 4.222 4.350 0.001 0.000 0.191 257 E C 2.278 178.915 176.600 0.061 0.000 0.985 257 E CA 1.235 57.661 56.400 0.044 0.000 0.801 257 E CB -0.175 29.543 29.700 0.030 0.000 0.750 257 E HN 0.442 nan 8.360 nan 0.000 0.452 258 Q N -1.182 118.661 119.800 0.071 0.000 2.124 258 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 258 Q C 1.963 178.016 176.000 0.089 0.000 0.977 258 Q CA 1.757 57.607 55.803 0.078 0.000 0.850 258 Q CB -0.388 28.407 28.738 0.095 0.000 0.901 258 Q HN 0.519 nan 8.270 nan 0.000 0.429 259 H N 0.398 119.471 119.070 0.005 0.000 2.321 259 H HA -0.051 4.505 4.556 0.001 0.000 0.300 259 H C 1.402 176.724 175.328 -0.011 0.000 1.087 259 H CA 2.052 58.094 56.048 -0.009 0.000 1.319 259 H CB -0.003 29.744 29.762 -0.026 0.000 1.379 259 H HN 0.314 nan 8.280 nan 0.000 0.501 260 N N -0.681 118.099 118.700 0.135 0.000 2.244 260 N HA -0.154 4.587 4.740 0.001 0.000 0.183 260 N C 1.730 177.237 175.510 -0.005 0.000 1.016 260 N CA 0.870 53.956 53.050 0.059 0.000 0.866 260 N CB 0.024 38.559 38.487 0.080 0.000 0.980 260 N HN 0.408 nan 8.380 nan 0.000 0.430 261 E N 1.490 121.694 120.200 0.006 0.000 2.107 261 E HA -0.047 4.303 4.350 0.001 0.000 0.191 261 E C 1.706 178.288 176.600 -0.029 0.000 0.982 261 E CA 0.799 57.197 56.400 -0.004 0.000 0.809 261 E CB -0.070 29.638 29.700 0.013 0.000 0.756 261 E HN 0.328 nan 8.360 nan 0.000 0.459 262 I N 0.213 120.750 120.570 -0.054 0.000 2.179 262 I HA -0.274 3.896 4.170 0.001 0.000 0.242 262 I C 2.244 178.300 176.117 -0.102 0.000 1.088 262 I CA 0.937 62.188 61.300 -0.080 0.000 1.357 262 I CB -0.305 37.628 38.000 -0.112 0.000 1.051 262 I HN 0.165 nan 8.210 nan 0.000 0.409 263 L N 0.190 121.326 121.223 -0.145 0.000 2.042 263 L HA -0.234 4.107 4.340 0.001 0.000 0.210 263 L C 2.799 179.630 176.870 -0.066 0.000 1.076 263 L CA 1.390 56.158 54.840 -0.120 0.000 0.749 263 L CB -0.658 41.324 42.059 -0.129 0.000 0.893 263 L HN 0.231 nan 8.230 nan 0.000 0.432 264 R N 0.637 121.109 120.500 -0.047 0.000 2.091 264 R HA -0.172 4.168 4.340 0.001 0.000 0.238 264 R C 2.309 178.591 176.300 -0.029 0.000 1.136 264 R CA 1.588 57.670 56.100 -0.029 0.000 0.959 264 R CB -0.225 30.066 30.300 -0.016 0.000 0.856 264 R HN 0.305 nan 8.270 nan 0.000 0.437 265 I N 0.779 121.330 120.570 -0.031 0.000 2.202 265 I HA -0.300 3.870 4.170 0.001 0.000 0.242 265 I C 2.206 178.302 176.117 -0.035 0.000 1.091 265 I CA 1.077 62.360 61.300 -0.028 0.000 1.368 265 I CB -0.224 37.762 38.000 -0.024 0.000 1.058 265 I HN 0.216 nan 8.210 nan 0.000 0.410 266 L N 0.267 121.465 121.223 -0.043 0.000 2.013 266 L HA -0.249 4.092 4.340 0.001 0.000 0.212 266 L C 2.440 179.286 176.870 -0.039 0.000 1.073 266 L CA 1.492 56.307 54.840 -0.041 0.000 0.753 266 L CB -0.642 41.391 42.059 -0.044 0.000 0.890 266 L HN 0.288 nan 8.230 nan 0.000 0.432 267 L N -0.571 120.627 121.223 -0.041 0.000 2.456 267 L HA -0.153 4.188 4.340 0.001 0.000 0.224 267 L C 2.281 179.128 176.870 -0.038 0.000 1.148 267 L CA 0.503 55.317 54.840 -0.043 0.000 0.825 267 L CB -0.298 41.736 42.059 -0.042 0.000 0.937 267 L HN 0.304 nan 8.230 nan 0.000 0.450 268 L N -0.817 120.388 121.223 -0.031 0.000 2.291 268 L HA -0.016 4.324 4.340 0.001 0.000 0.214 268 L C 0.654 177.509 176.870 -0.026 0.000 1.120 268 L CA -0.061 54.764 54.840 -0.025 0.000 0.799 268 L CB -0.192 41.855 42.059 -0.019 0.000 0.925 268 L HN 0.223 nan 8.230 nan 0.000 0.446 269 R N 0.613 121.096 120.500 -0.029 0.000 3.264 269 R HA -0.156 4.184 4.340 0.001 0.000 0.251 269 R C 0.211 176.500 176.300 -0.019 0.000 0.971 269 R CA 0.704 56.789 56.100 -0.025 0.000 0.658 269 R CB -2.994 27.291 30.300 -0.027 0.000 1.095 269 R HN 0.240 nan 8.270 nan 0.000 0.443 270 T N -1.388 113.154 114.554 -0.020 0.000 2.909 270 T HA 0.409 4.759 4.350 0.001 0.000 0.286 270 T C 0.947 175.639 174.700 -0.014 0.000 1.002 270 T CA -0.086 62.005 62.100 -0.014 0.000 1.074 270 T CB 0.953 69.814 68.868 -0.012 0.000 0.984 270 T HN 0.261 nan 8.240 nan 0.000 0.495 271 S N 2.580 118.278 115.700 -0.003 0.000 2.578 271 S HA 0.152 4.623 4.470 0.001 0.000 0.231 271 S C 0.218 174.832 174.600 0.024 0.000 0.994 271 S CA -0.502 57.701 58.200 0.005 0.000 0.956 271 S CB 0.039 63.242 63.200 0.006 0.000 0.870 271 S HN 0.813 nan 8.310 nan 0.000 0.494 272 D N 2.941 123.354 120.400 0.022 0.000 2.401 272 D HA 0.005 4.645 4.640 0.001 0.000 0.254 272 D C 1.248 177.595 176.300 0.079 0.000 1.192 272 D CA 0.151 54.177 54.000 0.044 0.000 0.885 272 D CB 0.887 41.706 40.800 0.032 0.000 1.147 272 D HN 0.311 nan 8.370 nan 0.000 0.478 273 K N 3.650 124.132 120.400 0.136 0.000 2.057 273 K HA -0.171 4.149 4.320 0.001 0.000 0.207 273 K C 0.744 177.486 176.600 0.238 0.000 1.049 273 K CA 1.034 57.483 56.287 0.271 0.000 0.931 273 K CB 0.068 32.731 32.500 0.271 0.000 0.714 273 K HN 0.369 nan 8.250 nan 0.000 0.440 274 D N 1.186 121.667 120.400 0.136 0.000 2.149 274 D HA -0.051 4.590 4.640 0.001 0.000 0.201 274 D C 2.170 178.526 176.300 0.093 0.000 0.972 274 D CA 1.051 55.115 54.000 0.107 0.000 0.835 274 D CB -0.028 40.812 40.800 0.067 0.000 0.966 274 D HN 0.299 nan 8.370 nan 0.000 0.476 275 I N 1.287 121.898 120.570 0.070 0.000 2.202 275 I HA -0.228 3.942 4.170 0.001 0.000 0.242 275 I C 2.425 178.565 176.117 0.039 0.000 1.091 275 I CA 1.039 62.365 61.300 0.043 0.000 1.368 275 I CB -0.070 37.944 38.000 0.023 0.000 1.058 275 I HN -0.112 nan 8.210 nan 0.000 0.410 276 K N 0.279 120.698 120.400 0.032 0.000 2.057 276 K HA -0.210 4.110 4.320 0.001 0.000 0.207 276 K C 2.080 178.717 176.600 0.062 0.000 1.049 276 K CA 1.273 57.541 56.287 -0.031 0.000 0.931 276 K CB -0.317 32.057 32.500 -0.209 0.000 0.714 276 K HN 0.139 nan 8.250 nan 0.000 0.440 277 L N 2.059 123.403 121.223 0.202 0.000 2.141 277 L HA -0.141 4.200 4.340 0.001 0.000 0.209 277 L C 2.313 179.261 176.870 0.130 0.000 1.094 277 L CA 1.670 56.649 54.840 0.233 0.000 0.763 277 L CB -0.370 41.832 42.059 0.239 0.000 0.908 277 L HN 0.061 nan 8.230 nan 0.000 0.437 278 K N -0.789 119.669 120.400 0.097 0.000 2.026 278 K HA -0.226 4.095 4.320 0.001 0.000 0.208 278 K C 2.142 178.781 176.600 0.066 0.000 1.048 278 K CA 1.846 58.180 56.287 0.078 0.000 0.929 278 K CB -0.359 32.175 32.500 0.057 0.000 0.713 278 K HN 0.288 nan 8.250 nan 0.000 0.439 279 L N 1.715 122.963 121.223 0.042 0.000 2.017 279 L HA -0.116 4.225 4.340 0.001 0.000 0.208 279 L C 2.043 178.922 176.870 0.015 0.000 1.073 279 L CA 1.548 56.399 54.840 0.017 0.000 0.745 279 L CB -0.331 41.722 42.059 -0.010 0.000 0.894 279 L HN 0.269 nan 8.230 nan 0.000 0.432 280 I N -0.612 119.972 120.570 0.022 0.000 2.226 280 I HA -0.285 3.885 4.170 0.001 0.000 0.245 280 I C 2.328 178.445 176.117 -0.001 0.000 1.100 280 I CA 0.992 62.296 61.300 0.007 0.000 1.374 280 I CB -0.368 37.660 38.000 0.048 0.000 1.057 280 I HN 0.393 nan 8.210 nan 0.000 0.413 281 Q N 0.149 119.985 119.800 0.060 0.000 2.297 281 Q HA -0.049 4.291 4.340 0.001 0.000 0.204 281 Q C 2.265 178.347 176.000 0.137 0.000 0.962 281 Q CA 1.199 57.070 55.803 0.114 0.000 0.879 281 Q CB -0.068 28.835 28.738 0.277 0.000 0.947 281 Q HN 0.587 nan 8.270 nan 0.000 0.462 282 I N 0.405 121.029 120.570 0.090 0.000 2.202 282 I HA -0.256 3.915 4.170 0.001 0.000 0.242 282 I C 2.094 178.224 176.117 0.021 0.000 1.091 282 I CA 0.884 62.233 61.300 0.082 0.000 1.368 282 I CB -0.186 37.848 38.000 0.055 0.000 1.058 282 I HN 0.141 nan 8.210 nan 0.000 0.410 283 L N 0.111 121.319 121.223 -0.024 0.000 2.131 283 L HA -0.200 4.141 4.340 0.001 0.000 0.210 283 L C 2.468 179.256 176.870 -0.136 0.000 1.092 283 L CA 1.143 55.941 54.840 -0.071 0.000 0.759 283 L CB -0.618 41.403 42.059 -0.064 0.000 0.903 283 L HN 0.277 nan 8.230 nan 0.000 0.435 284 E N 0.619 120.694 120.200 -0.209 0.000 2.028 284 E HA -0.139 4.211 4.350 0.001 0.000 0.190 284 E C 1.844 178.136 176.600 -0.514 0.000 0.984 284 E CA 1.675 57.809 56.400 -0.443 0.000 0.800 284 E CB -0.099 29.162 29.700 -0.731 0.000 0.758 284 E HN 0.414 nan 8.360 nan 0.000 0.448 285 F N -0.448 119.496 119.950 -0.010 0.000 2.622 285 F HA 0.213 4.740 4.527 0.001 0.000 0.288 285 F C 2.094 177.894 175.800 0.001 0.000 1.120 285 F CA 0.480 58.479 58.000 -0.002 0.000 1.423 285 F CB 0.275 39.281 39.000 0.009 0.000 1.127 285 F HN 0.092 nan 8.300 nan 0.000 0.588 286 D N 0.023 120.520 120.400 0.162 0.000 2.259 286 D HA -0.085 4.556 4.640 0.001 0.000 0.216 286 D C 1.863 178.196 176.300 0.056 0.000 0.961 286 D CA 1.849 55.929 54.000 0.134 0.000 0.878 286 D CB 0.299 41.182 40.800 0.139 0.000 1.009 286 D HN 0.320 nan 8.370 nan 0.000 0.490 287 T N -2.691 111.797 114.554 -0.109 0.000 2.985 287 T HA 0.082 4.432 4.350 0.001 0.000 0.254 287 T C 0.651 175.004 174.700 -0.580 0.000 1.021 287 T CA -0.128 61.656 62.100 -0.528 0.000 0.957 287 T CB 0.181 68.877 68.868 -0.286 0.000 1.047 287 T HN 0.011 nan 8.240 nan 0.000 0.511 288 N N 1.307 119.842 118.700 -0.276 0.000 2.721 288 N HA -0.157 4.584 4.740 0.001 0.000 0.249 288 N C 0.759 176.124 175.510 -0.241 0.000 1.072 288 N CA 0.874 53.796 53.050 -0.212 0.000 0.710 288 N CB -1.753 36.638 38.487 -0.159 0.000 0.993 288 N HN 0.451 nan 8.380 nan 0.000 0.547 289 S N 0.029 115.586 115.700 -0.239 0.000 2.406 289 S HA 0.067 4.537 4.470 0.001 0.000 0.228 289 S C 2.103 176.636 174.600 -0.112 0.000 1.020 289 S CA 0.528 58.553 58.200 -0.293 0.000 0.965 289 S CB 0.215 63.352 63.200 -0.105 0.000 0.798 289 S HN 0.373 nan 8.310 nan 0.000 0.488 290 L N 1.134 122.328 121.223 -0.048 0.000 1.994 290 L HA -0.137 4.203 4.340 0.001 0.000 0.208 290 L C 2.845 179.784 176.870 0.116 0.000 1.071 290 L CA 1.395 56.287 54.840 0.087 0.000 0.745 290 L CB -0.797 41.268 42.059 0.009 0.000 0.892 290 L HN 0.319 nan 8.230 nan 0.000 0.431 291 A N -0.806 122.020 122.820 0.010 0.000 1.933 291 A HA -0.284 4.037 4.320 0.001 0.000 0.218 291 A C 2.207 179.774 177.584 -0.029 0.000 1.175 291 A CA 1.496 53.528 52.037 -0.009 0.000 0.628 291 A CB -0.934 18.049 19.000 -0.028 0.000 0.814 291 A HN 0.484 nan 8.150 nan 0.000 0.444 292 Y N 1.254 121.450 120.300 -0.174 0.000 2.128 292 Y HA -0.237 4.314 4.550 0.001 0.000 0.284 292 Y C 2.646 178.517 175.900 -0.049 0.000 1.154 292 Y CA 2.514 60.501 58.100 -0.189 0.000 1.149 292 Y CB -0.579 37.536 38.460 -0.575 0.000 0.976 292 Y HN 0.313 nan 8.280 nan 0.000 0.505 293 T N 0.404 115.020 114.554 0.103 0.000 2.777 293 T HA -0.186 4.164 4.350 0.001 0.000 0.266 293 T C 1.833 176.386 174.700 -0.246 0.000 1.040 293 T CA 1.638 63.794 62.100 0.093 0.000 1.141 293 T CB -0.283 68.745 68.868 0.266 0.000 0.868 293 T HN 0.306 nan 8.240 nan 0.000 0.444 294 K N 1.461 121.645 120.400 -0.360 0.000 2.032 294 K HA -0.154 4.167 4.320 0.001 0.000 0.209 294 K C 2.308 178.721 176.600 -0.311 0.000 1.048 294 K CA 1.575 57.541 56.287 -0.535 0.000 0.927 294 K CB -0.260 32.045 32.500 -0.325 0.000 0.712 294 K HN 0.295 nan 8.250 nan 0.000 0.441 295 N N -0.464 118.104 118.700 -0.221 0.000 2.120 295 N HA -0.192 4.548 4.740 0.001 0.000 0.188 295 N C 1.896 177.278 175.510 -0.214 0.000 1.024 295 N CA 1.122 54.053 53.050 -0.198 0.000 0.852 295 N CB -0.124 38.252 38.487 -0.184 0.000 1.003 295 N HN 0.211 nan 8.380 nan 0.000 0.424 296 F N 1.756 121.456 119.950 -0.416 0.000 2.126 296 F HA -0.102 4.425 4.527 0.001 0.000 0.299 296 F C 2.201 177.792 175.800 -0.348 0.000 1.096 296 F CA 1.152 58.914 58.000 -0.398 0.000 1.255 296 F CB -0.089 38.654 39.000 -0.429 0.000 0.997 296 F HN 0.025 nan 8.300 nan 0.000 0.479 297 I N 0.142 120.603 120.570 -0.182 0.000 2.142 297 I HA -0.373 3.797 4.170 0.001 0.000 0.240 297 I C 2.017 177.993 176.117 -0.234 0.000 1.078 297 I CA 1.974 63.134 61.300 -0.233 0.000 1.343 297 I CB -0.835 36.984 38.000 -0.302 0.000 1.046 297 I HN 0.189 nan 8.210 nan 0.000 0.405 298 N N 0.302 118.868 118.700 -0.223 0.000 2.060 298 N HA -0.286 4.454 4.740 0.001 0.000 0.195 298 N C 1.877 177.273 175.510 -0.190 0.000 1.028 298 N CA 1.428 54.369 53.050 -0.182 0.000 0.861 298 N CB -0.181 38.211 38.487 -0.159 0.000 1.029 298 N HN 0.434 nan 8.380 nan 0.000 0.428 299 Q N 0.709 120.362 119.800 -0.246 0.000 2.030 299 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 299 Q C 2.292 178.130 176.000 -0.270 0.000 0.986 299 Q CA 1.245 56.887 55.803 -0.268 0.000 0.843 299 Q CB -0.217 28.293 28.738 -0.381 0.000 0.904 299 Q HN 0.413 nan 8.270 nan 0.000 0.420 300 L N -0.161 120.856 121.223 -0.343 0.000 2.079 300 L HA -0.203 4.138 4.340 0.001 0.000 0.210 300 L C 2.353 179.101 176.870 -0.203 0.000 1.081 300 L CA 0.759 55.424 54.840 -0.292 0.000 0.752 300 L CB -0.453 41.426 42.059 -0.299 0.000 0.896 300 L HN 0.110 nan 8.230 nan 0.000 0.433 301 V N -0.116 119.693 119.914 -0.175 0.000 2.515 301 V HA -0.213 3.907 4.120 0.001 0.000 0.250 301 V C 2.057 178.105 176.094 -0.076 0.000 1.058 301 V CA 1.561 63.790 62.300 -0.119 0.000 1.064 301 V CB -0.581 31.175 31.823 -0.110 0.000 0.675 301 V HN 0.480 nan 8.190 nan 0.000 0.461 302 N N -0.385 118.263 118.700 -0.087 0.000 2.396 302 N HA -0.005 4.736 4.740 0.001 0.000 0.180 302 N C 1.685 177.181 175.510 -0.022 0.000 1.028 302 N CA 0.978 53.998 53.050 -0.051 0.000 0.893 302 N CB -0.257 38.192 38.487 -0.063 0.000 0.967 302 N HN 0.422 nan 8.380 nan 0.000 0.440 303 M N -0.293 119.281 119.600 -0.043 0.000 2.358 303 M HA -0.027 4.454 4.480 0.001 0.000 0.264 303 M C 1.401 177.764 176.300 0.105 0.000 1.064 303 M CA 1.099 56.408 55.300 0.014 0.000 1.093 303 M CB 0.022 32.584 32.600 -0.063 0.000 1.401 303 M HN 0.104 nan 8.290 nan 0.000 0.440 304 I N -0.929 119.679 120.570 0.064 0.000 2.729 304 I HA -0.142 4.029 4.170 0.001 0.000 0.256 304 I C 1.994 178.186 176.117 0.125 0.000 1.115 304 I CA 0.592 61.984 61.300 0.154 0.000 1.446 304 I CB -0.227 37.858 38.000 0.143 0.000 1.176 304 I HN 0.090 nan 8.210 nan 0.000 0.446 305 K N 1.055 121.496 120.400 0.069 0.000 2.360 305 K HA -0.102 4.218 4.320 0.001 0.000 0.201 305 K C 1.026 177.652 176.600 0.044 0.000 1.046 305 K CA 0.942 57.260 56.287 0.051 0.000 0.940 305 K CB -0.105 32.408 32.500 0.023 0.000 0.748 305 K HN 0.305 nan 8.250 nan 0.000 0.465 306 N N 1.393 120.123 118.700 0.049 0.000 2.236 306 N HA -0.044 4.696 4.740 0.001 0.000 0.196 306 N C -0.574 174.963 175.510 0.046 0.000 1.114 306 N CA 0.454 53.526 53.050 0.038 0.000 0.859 306 N CB 0.399 38.899 38.487 0.022 0.000 0.982 306 N HN 0.317 nan 8.380 nan 0.000 0.493 307 D N -0.443 120.003 120.400 0.077 0.000 2.619 307 D HA 0.136 4.776 4.640 0.001 0.000 0.224 307 D C 0.438 176.749 176.300 0.019 0.000 1.133 307 D CA -0.383 53.643 54.000 0.042 0.000 1.017 307 D CB -0.210 40.622 40.800 0.053 0.000 1.077 307 D HN -0.180 nan 8.370 nan 0.000 0.503 308 N N 1.308 120.013 118.700 0.008 0.000 2.348 308 N HA -0.208 4.533 4.740 0.001 0.000 0.185 308 N C 1.152 176.658 175.510 -0.007 0.000 1.019 308 N CA 1.159 54.211 53.050 0.003 0.000 0.880 308 N CB -0.123 38.364 38.487 -0.000 0.000 0.965 308 N HN 0.749 nan 8.380 nan 0.000 0.437 309 E N -0.118 120.070 120.200 -0.021 0.000 2.476 309 E HA 0.040 4.390 4.350 0.001 0.000 0.191 309 E C -0.418 176.167 176.600 -0.025 0.000 1.064 309 E CA -0.104 56.279 56.400 -0.029 0.000 0.866 309 E CB -0.171 29.500 29.700 -0.048 0.000 0.952 309 E HN 0.077 nan 8.360 nan 0.000 0.492 310 N N 1.599 120.292 118.700 -0.012 0.000 2.738 310 N HA -0.211 4.529 4.740 0.001 0.000 0.249 310 N C 0.383 175.901 175.510 0.012 0.000 1.047 310 N CA 1.138 54.199 53.050 0.018 0.000 0.707 310 N CB -0.930 37.572 38.487 0.026 0.000 0.937 310 N HN 0.456 nan 8.380 nan 0.000 0.545 311 K N -0.790 119.524 120.400 -0.143 0.000 2.362 311 K HA -0.076 4.244 4.320 0.001 0.000 0.200 311 K C 0.920 177.235 176.600 -0.474 0.000 1.046 311 K CA 1.227 57.278 56.287 -0.393 0.000 0.952 311 K CB 0.140 32.280 32.500 -0.599 0.000 0.753 311 K HN 0.483 nan 8.250 nan 0.000 0.466 312 Y N -0.867 119.508 120.300 0.126 0.000 2.784 312 Y HA 0.143 4.694 4.550 0.001 0.000 0.267 312 Y C 0.652 176.654 175.900 0.170 0.000 1.117 312 Y CA -1.095 57.138 58.100 0.222 0.000 1.231 312 Y CB 0.417 39.022 38.460 0.242 0.000 1.441 312 Y HN -0.196 nan 8.280 nan 0.000 0.469 313 L N 3.088 124.412 121.223 0.169 0.000 2.461 313 L HA 0.092 4.433 4.340 0.001 0.000 0.259 313 L C -1.835 174.947 176.870 -0.147 0.000 1.248 313 L CA -1.074 53.674 54.840 -0.153 0.000 0.823 313 L CB -0.797 41.208 42.059 -0.091 0.000 1.111 313 L HN -0.009 nan 8.230 nan 0.000 0.516 330 L N 0.939 122.201 121.223 0.065 0.000 2.375 330 L HA 0.136 4.476 4.340 0.001 0.000 0.215 330 L C 2.012 178.983 176.870 0.168 0.000 1.108 330 L CA 0.484 55.384 54.840 0.101 0.000 0.830 330 L CB -0.024 42.073 42.059 0.063 0.000 0.959 330 L HN 0.309 nan 8.230 nan 0.000 0.457 331 L N -1.734 119.583 121.223 0.158 0.000 2.127 331 L HA -0.175 4.165 4.340 0.001 0.000 0.203 331 L C 2.645 179.653 176.870 0.230 0.000 1.080 331 L CA 0.774 55.711 54.840 0.162 0.000 0.768 331 L CB -0.978 41.152 42.059 0.118 0.000 0.924 331 L HN 0.170 nan 8.230 nan 0.000 0.444 332 Y N 1.996 122.352 120.300 0.093 0.000 2.062 332 Y HA -0.331 4.219 4.550 0.001 0.000 0.276 332 Y C 2.391 178.399 175.900 0.180 0.000 1.189 332 Y CA 1.428 59.609 58.100 0.135 0.000 1.130 332 Y CB -0.811 37.720 38.460 0.117 0.000 0.959 332 Y HN 0.019 nan 8.280 nan 0.000 0.499 333 I N 0.089 120.882 120.570 0.372 0.000 2.118 333 I HA -0.391 3.779 4.170 0.001 0.000 0.241 333 I C 2.519 178.784 176.117 0.248 0.000 1.070 333 I CA 2.207 63.650 61.300 0.237 0.000 1.327 333 I CB -0.621 37.444 38.000 0.108 0.000 1.034 333 I HN 0.222 nan 8.210 nan 0.000 0.405 334 I N 0.748 121.428 120.570 0.182 0.000 2.399 334 I HA -0.307 3.863 4.170 0.001 0.000 0.254 334 I C 1.623 177.784 176.117 0.074 0.000 1.146 334 I CA 1.334 62.695 61.300 0.101 0.000 1.412 334 I CB -0.558 37.482 38.000 0.067 0.000 1.076 334 I HN 0.327 nan 8.210 nan 0.000 0.432 335 D N -0.950 119.506 120.400 0.092 0.000 2.333 335 D HA -0.049 4.591 4.640 0.001 0.000 0.208 335 D C 1.467 177.685 176.300 -0.137 0.000 0.984 335 D CA 0.875 54.849 54.000 -0.042 0.000 0.873 335 D CB -0.035 40.707 40.800 -0.096 0.000 0.935 335 D HN 0.484 nan 8.370 nan 0.000 0.521 336 H N 0.098 119.261 119.070 0.156 0.000 2.592 336 H HA 0.142 4.698 4.556 0.001 0.000 0.279 336 H C 1.716 177.143 175.328 0.164 0.000 1.089 336 H CA -0.319 55.828 56.048 0.164 0.000 1.150 336 H CB 0.837 30.760 29.762 0.268 0.000 1.575 336 H HN 0.001 nan 8.280 nan 0.000 0.547 337 L N 0.937 122.296 121.223 0.227 0.000 2.103 337 L HA -0.188 4.153 4.340 0.001 0.000 0.215 337 L C 1.147 178.196 176.870 0.298 0.000 1.080 337 L CA 1.168 56.165 54.840 0.262 0.000 0.764 337 L CB -0.458 41.710 42.059 0.182 0.000 0.890 337 L HN 0.041 nan 8.230 nan 0.000 0.435 338 S N 0.000 115.787 115.700 0.146 0.000 2.498 338 S HA 0.000 4.470 4.470 0.001 0.000 0.327 338 S CA 0.000 58.254 58.200 0.089 0.000 1.107 338 S CB 0.000 63.222 63.200 0.036 0.000 0.593 338 S HN 0.000 nan 8.310 nan 0.000 0.517