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 2r2l_1_B DATA FIRST_RESID 23 DATA SEQUENCE LYSLRPEHAR ERLQDDSVET VTSIEQAKVE EKIQEVFSSY KFNHLVPRLV DATA SEQUENCE LQREKHFHYL KRGLRQLTDA YECLDASRPW LCYWILHSLE LLDEPIPQIV DATA SEQUENCE ATDVCQFLEL CQSPDGGFGG GPGQYPHLAP TYAAVNALCI IGTEEAYNVI DATA SEQUENCE NREKLLQYLY SLKQPDGSFL MHVGGEVDVR SAYCAASVAS LTNIITPDLF DATA SEQUENCE EGTAEWIARC QNWEGGIGGV PGMEAHGGYT FCGLAALVIL KKERSLNLKS DATA SEQUENCE LLQWVTSRQM RFEGGFQGRC NKLVDGCYSF WQAGLLPLLH RALHAQGDPA DATA SEQUENCE LSMSHWMFHQ QALQEYILMC CQCPAGGLLD KPGKSRDFYH TCYCLSGLSI DATA SEQUENCE AQHFGSGAML HDVVMGVPEN VLQPTHPVYN IGPDKVIQAT THFLQKPVPG DATA SEQUENCE F 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.770 176.870 -0.167 0.000 1.165 23 L CA 0.000 54.748 54.840 -0.153 0.000 0.813 23 L CB 0.000 41.911 42.059 -0.246 0.000 0.961 24 Y N 2.318 122.464 120.300 -0.256 0.000 2.151 24 Y HA -0.264 4.286 4.550 0.000 0.000 0.284 24 Y C 2.117 177.688 175.900 -0.549 0.000 1.166 24 Y CA 2.507 60.433 58.100 -0.290 0.000 1.163 24 Y CB 0.309 38.627 38.460 -0.236 0.000 0.974 24 Y HN 0.655 nan 8.280 nan 0.000 0.511 25 S N -0.246 115.027 115.700 -0.711 0.000 2.481 25 S HA -0.063 4.407 4.470 0.000 0.000 0.231 25 S C 1.323 175.211 174.600 -1.187 0.000 0.996 25 S CA 1.017 58.347 58.200 -1.449 0.000 0.942 25 S CB -0.157 62.044 63.200 -1.664 0.000 0.768 25 S HN 0.287 nan 8.310 nan 0.000 0.520 26 L N 0.814 121.627 121.223 -0.683 0.000 2.640 26 L HA 0.278 4.618 4.340 0.000 0.000 0.230 26 L C 0.767 177.483 176.870 -0.256 0.000 1.123 26 L CA 0.336 54.935 54.840 -0.403 0.000 0.900 26 L CB -0.289 41.581 42.059 -0.316 0.000 1.146 26 L HN 0.031 nan 8.230 nan 0.000 0.484 27 R N 0.574 120.905 120.500 -0.281 0.000 2.590 27 R HA 0.053 4.393 4.340 0.000 0.000 0.274 27 R C -1.294 174.952 176.300 -0.089 0.000 1.061 27 R CA -1.250 54.749 56.100 -0.168 0.000 1.081 27 R CB -0.114 30.074 30.300 -0.186 0.000 0.984 27 R HN -0.105 nan 8.270 nan 0.000 0.448 28 P HA -0.248 nan 4.420 nan 0.000 0.215 28 P C 0.769 178.069 177.300 -0.001 0.000 1.157 28 P CA 1.321 64.411 63.100 -0.016 0.000 0.874 28 P CB 0.151 31.841 31.700 -0.016 0.000 0.790 29 E N -1.222 118.965 120.200 -0.021 0.000 2.472 29 E HA -0.225 4.125 4.350 0.000 0.000 0.200 29 E C 1.695 178.280 176.600 -0.024 0.000 1.046 29 E CA 0.984 57.370 56.400 -0.022 0.000 0.871 29 E CB -1.489 28.193 29.700 -0.030 0.000 0.806 29 E HN 0.497 nan 8.360 nan 0.000 0.533 30 H N 0.833 119.825 119.070 -0.131 0.000 2.470 30 H HA 0.194 4.750 4.556 0.000 0.000 0.289 30 H C 1.662 177.036 175.328 0.077 0.000 1.033 30 H CA 1.107 57.072 56.048 -0.139 0.000 1.331 30 H CB 0.332 29.913 29.762 -0.301 0.000 1.414 30 H HN 0.270 nan 8.280 nan 0.000 0.545 31 A N 1.120 124.011 122.820 0.117 0.000 2.070 31 A HA -0.132 4.188 4.320 0.000 0.000 0.220 31 A C 2.391 179.982 177.584 0.011 0.000 1.159 31 A CA 0.795 52.910 52.037 0.130 0.000 0.656 31 A CB -0.482 18.576 19.000 0.097 0.000 0.800 31 A HN 0.368 nan 8.150 nan 0.000 0.453 32 R N -0.346 120.141 120.500 -0.023 0.000 2.285 32 R HA -0.037 4.303 4.340 0.000 0.000 0.213 32 R C 0.803 177.064 176.300 -0.064 0.000 1.068 32 R CA 0.876 56.950 56.100 -0.043 0.000 1.004 32 R CB 0.058 30.337 30.300 -0.035 0.000 0.873 32 R HN 0.446 nan 8.270 nan 0.000 0.467 33 E N 0.298 120.446 120.200 -0.087 0.000 2.479 33 E HA 0.034 4.384 4.350 0.000 0.000 0.193 33 E C 0.129 176.698 176.600 -0.052 0.000 1.049 33 E CA 0.087 56.450 56.400 -0.061 0.000 0.870 33 E CB 0.239 29.860 29.700 -0.133 0.000 0.944 33 E HN 0.081 nan 8.360 nan 0.000 0.492 34 R N 1.109 121.500 120.500 -0.181 0.000 2.756 34 R HA -0.001 4.339 4.340 0.000 0.000 0.264 34 R C 0.629 176.808 176.300 -0.202 0.000 1.026 34 R CA -0.389 55.481 56.100 -0.383 0.000 1.121 34 R CB -0.036 30.042 30.300 -0.369 0.000 0.999 34 R HN 0.066 nan 8.270 nan 0.000 0.449 35 L N 2.138 123.242 121.223 -0.198 0.000 2.514 35 L HA -0.080 4.260 4.340 0.000 0.000 0.280 35 L C -0.125 176.694 176.870 -0.086 0.000 1.223 35 L CA 1.146 55.920 54.840 -0.110 0.000 0.864 35 L CB 0.274 42.276 42.059 -0.096 0.000 1.118 35 L HN 0.438 nan 8.230 nan 0.000 0.494 36 Q N 3.199 122.965 119.800 -0.057 0.000 2.381 36 Q HA 0.197 4.537 4.340 0.000 0.000 0.263 36 Q C -0.307 175.674 176.000 -0.032 0.000 1.030 36 Q CA -0.322 55.455 55.803 -0.043 0.000 0.772 36 Q CB 1.088 29.805 28.738 -0.034 0.000 1.232 36 Q HN 0.758 nan 8.270 nan 0.000 0.476 37 D N 1.233 121.614 120.400 -0.031 0.000 2.340 37 D HA -0.089 4.551 4.640 0.000 0.000 0.220 37 D C -0.306 175.985 176.300 -0.015 0.000 1.039 37 D CA 0.007 53.994 54.000 -0.021 0.000 0.866 37 D CB 0.259 41.046 40.800 -0.022 0.000 0.913 37 D HN 0.431 nan 8.370 nan 0.000 0.523 38 D N -0.383 120.008 120.400 -0.015 0.000 2.983 38 D HA -0.239 4.401 4.640 0.000 0.000 0.225 38 D C -0.120 176.174 176.300 -0.010 0.000 1.174 38 D CA 1.139 55.132 54.000 -0.011 0.000 0.831 38 D CB -1.848 38.947 40.800 -0.007 0.000 1.104 38 D HN 0.275 nan 8.370 nan 0.000 0.421 39 S N -2.599 113.093 115.700 -0.012 0.000 3.490 39 S HA -0.211 4.259 4.470 0.000 0.000 0.301 39 S C 0.138 174.734 174.600 -0.008 0.000 1.233 39 S CA 0.866 59.059 58.200 -0.011 0.000 0.914 39 S CB -0.827 62.368 63.200 -0.009 0.000 1.047 39 S HN 0.376 nan 8.310 nan 0.000 0.602 40 V N 1.959 121.869 119.914 -0.007 0.000 2.305 40 V HA 0.280 4.400 4.120 0.000 0.000 0.275 40 V C 0.257 176.348 176.094 -0.004 0.000 1.020 40 V CA -0.574 61.724 62.300 -0.004 0.000 0.811 40 V CB 1.388 33.210 31.823 -0.002 0.000 1.031 40 V HN 0.347 nan 8.190 nan 0.000 0.439 41 E N 2.951 123.148 120.200 -0.005 0.000 2.283 41 E HA 0.603 4.953 4.350 0.000 0.000 0.278 41 E C 0.148 176.748 176.600 -0.000 0.000 1.027 41 E CA -0.260 56.137 56.400 -0.004 0.000 0.843 41 E CB 1.692 31.389 29.700 -0.006 0.000 1.062 41 E HN 0.774 nan 8.360 nan 0.000 0.401 42 T N -2.228 112.327 114.554 0.002 0.000 2.841 42 T HA 0.192 4.542 4.350 0.000 0.000 0.296 42 T C 0.961 175.665 174.700 0.007 0.000 1.166 42 T CA -0.845 61.258 62.100 0.006 0.000 1.007 42 T CB 0.968 69.842 68.868 0.010 0.000 1.253 42 T HN 0.106 nan 8.240 nan 0.000 0.511 43 V N 1.202 121.123 119.914 0.011 0.000 2.317 43 V HA -0.219 3.901 4.120 0.000 0.000 0.251 43 V C 2.911 179.014 176.094 0.014 0.000 1.065 43 V CA 2.812 65.120 62.300 0.013 0.000 1.049 43 V CB -1.474 30.360 31.823 0.018 0.000 0.651 43 V HN 1.106 nan 8.190 nan 0.000 0.450 44 T N 0.427 114.991 114.554 0.017 0.000 2.684 44 T HA -0.198 4.152 4.350 0.000 0.000 0.267 44 T C 2.111 176.816 174.700 0.009 0.000 1.036 44 T CA 2.068 64.178 62.100 0.018 0.000 1.148 44 T CB -0.385 68.496 68.868 0.022 0.000 0.863 44 T HN 0.767 nan 8.240 nan 0.000 0.436 45 S N 1.311 117.013 115.700 0.003 0.000 2.387 45 S HA 0.012 4.482 4.470 0.000 0.000 0.226 45 S C 2.120 176.714 174.600 -0.010 0.000 1.026 45 S CA 0.632 58.828 58.200 -0.007 0.000 0.972 45 S CB -0.772 62.422 63.200 -0.010 0.000 0.814 45 S HN 0.484 nan 8.310 nan 0.000 0.477 46 I N 1.892 122.459 120.570 -0.005 0.000 2.179 46 I HA -0.142 4.028 4.170 0.000 0.000 0.242 46 I C 2.792 178.907 176.117 -0.004 0.000 1.088 46 I CA 1.498 62.794 61.300 -0.007 0.000 1.357 46 I CB -0.357 37.642 38.000 -0.002 0.000 1.051 46 I HN 0.283 nan 8.210 nan 0.000 0.409 47 E N 0.244 120.446 120.200 0.003 0.000 2.152 47 E HA -0.240 4.110 4.350 0.000 0.000 0.192 47 E C 1.991 178.596 176.600 0.008 0.000 0.983 47 E CA 0.914 57.319 56.400 0.009 0.000 0.818 47 E CB -0.229 29.482 29.700 0.018 0.000 0.758 47 E HN 0.443 nan 8.360 nan 0.000 0.467 48 Q N 1.150 120.951 119.800 0.003 0.000 2.046 48 Q HA -0.026 4.314 4.340 0.000 0.000 0.200 48 Q C 2.001 177.991 176.000 -0.017 0.000 0.975 48 Q CA 1.935 57.738 55.803 -0.001 0.000 0.836 48 Q CB -0.442 28.292 28.738 -0.008 0.000 0.896 48 Q HN 0.170 nan 8.270 nan 0.000 0.428 49 A N 0.701 123.502 122.820 -0.032 0.000 1.908 49 A HA -0.230 4.090 4.320 0.000 0.000 0.218 49 A C 2.004 179.564 177.584 -0.039 0.000 1.181 49 A CA 1.830 53.835 52.037 -0.053 0.000 0.627 49 A CB -0.511 18.459 19.000 -0.049 0.000 0.818 49 A HN 0.439 nan 8.150 nan 0.000 0.445 50 K N -0.535 119.854 120.400 -0.019 0.000 2.057 50 K HA -0.084 4.236 4.320 0.000 0.000 0.207 50 K C 1.872 178.472 176.600 0.000 0.000 1.049 50 K CA 1.472 57.753 56.287 -0.009 0.000 0.931 50 K CB -0.397 32.102 32.500 -0.002 0.000 0.714 50 K HN 0.313 nan 8.250 nan 0.000 0.440 51 V N 1.784 121.705 119.914 0.011 0.000 2.358 51 V HA -0.225 3.895 4.120 0.000 0.000 0.246 51 V C 2.024 178.148 176.094 0.051 0.000 1.047 51 V CA 1.733 64.053 62.300 0.034 0.000 1.035 51 V CB -0.399 31.454 31.823 0.049 0.000 0.658 51 V HN 0.326 nan 8.190 nan 0.000 0.452 52 E N -0.230 119.987 120.200 0.029 0.000 2.077 52 E HA -0.283 4.067 4.350 0.000 0.000 0.193 52 E C 2.238 178.845 176.600 0.012 0.000 0.989 52 E CA 1.409 57.825 56.400 0.026 0.000 0.800 52 E CB -0.112 29.452 29.700 -0.225 0.000 0.746 52 E HN 0.554 nan 8.360 nan 0.000 0.452 53 E N 1.456 121.638 120.200 -0.030 0.000 2.058 53 E HA -0.216 4.134 4.350 0.000 0.000 0.194 53 E C 1.833 178.447 176.600 0.023 0.000 0.997 53 E CA 1.475 57.869 56.400 -0.010 0.000 0.801 53 E CB -0.007 29.683 29.700 -0.017 0.000 0.746 53 E HN 0.028 nan 8.360 nan 0.000 0.450 54 K N -0.422 119.987 120.400 0.016 0.000 2.155 54 K HA -0.052 4.268 4.320 0.000 0.000 0.203 54 K C 1.832 178.417 176.600 -0.026 0.000 1.052 54 K CA 0.997 57.286 56.287 0.003 0.000 0.948 54 K CB -0.001 32.499 32.500 -0.001 0.000 0.728 54 K HN 0.158 nan 8.250 nan 0.000 0.448 55 I N 1.203 121.759 120.570 -0.024 0.000 2.286 55 I HA -0.196 3.974 4.170 0.000 0.000 0.245 55 I C 2.401 178.317 176.117 -0.335 0.000 1.104 55 I CA 1.220 62.392 61.300 -0.214 0.000 1.397 55 I CB -1.112 36.807 38.000 -0.134 0.000 1.072 55 I HN 0.270 nan 8.210 nan 0.000 0.417 56 Q N 1.604 121.441 119.800 0.063 0.000 2.096 56 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 56 Q C 2.027 178.116 176.000 0.148 0.000 0.982 56 Q CA 1.780 57.728 55.803 0.242 0.000 0.850 56 Q CB -0.166 28.756 28.738 0.306 0.000 0.901 56 Q HN 0.489 nan 8.270 nan 0.000 0.422 57 E N -1.028 119.226 120.200 0.089 0.000 2.085 57 E HA -0.160 4.190 4.350 0.000 0.000 0.194 57 E C 1.947 178.586 176.600 0.065 0.000 0.994 57 E CA 1.442 57.907 56.400 0.109 0.000 0.801 57 E CB -0.002 29.738 29.700 0.066 0.000 0.743 57 E HN 0.220 nan 8.360 nan 0.000 0.453 58 V N 0.816 120.715 119.914 -0.025 0.000 2.295 58 V HA -0.245 3.875 4.120 0.000 0.000 0.246 58 V C 1.994 178.163 176.094 0.125 0.000 1.049 58 V CA 1.697 63.976 62.300 -0.034 0.000 1.024 58 V CB -0.603 31.145 31.823 -0.125 0.000 0.648 58 V HN 0.289 nan 8.190 nan 0.000 0.447 59 F N 0.432 120.433 119.950 0.085 0.000 2.095 59 F HA -0.204 4.323 4.527 0.000 0.000 0.298 59 F C 2.617 178.471 175.800 0.089 0.000 1.104 59 F CA 1.335 59.393 58.000 0.096 0.000 1.232 59 F CB -0.274 38.745 39.000 0.033 0.000 0.987 59 F HN 0.131 nan 8.300 nan 0.000 0.475 60 S N -0.275 115.534 115.700 0.181 0.000 2.522 60 S HA -0.131 4.339 4.470 0.000 0.000 0.227 60 S C 2.047 176.509 174.600 -0.229 0.000 0.986 60 S CA 0.820 58.930 58.200 -0.149 0.000 0.929 60 S CB -0.360 62.638 63.200 -0.337 0.000 0.769 60 S HN 0.461 nan 8.310 nan 0.000 0.529 61 S N 1.404 117.063 115.700 -0.068 0.000 2.400 61 S HA -0.275 4.195 4.470 0.000 0.000 0.234 61 S C 1.561 176.016 174.600 -0.243 0.000 1.049 61 S CA 1.478 59.589 58.200 -0.148 0.000 1.039 61 S CB -0.937 62.091 63.200 -0.288 0.000 0.856 61 S HN 0.602 nan 8.310 nan 0.000 0.465 62 Y N 2.135 122.384 120.300 -0.085 0.000 2.133 62 Y HA 0.013 4.563 4.550 0.000 0.000 0.287 62 Y C 2.759 178.562 175.900 -0.161 0.000 1.134 62 Y CA 1.373 59.418 58.100 -0.092 0.000 1.133 62 Y CB -0.610 37.805 38.460 -0.075 0.000 0.987 62 Y HN 0.242 nan 8.280 nan 0.000 0.502 63 K N 0.055 120.404 120.400 -0.086 0.000 2.020 63 K HA -0.208 4.112 4.320 0.000 0.000 0.212 63 K C 1.686 178.086 176.600 -0.332 0.000 1.050 63 K CA 2.102 58.249 56.287 -0.234 0.000 0.929 63 K CB -0.453 31.808 32.500 -0.398 0.000 0.714 63 K HN 0.183 nan 8.250 nan 0.000 0.443 64 F N 1.058 120.883 119.950 -0.207 0.000 2.451 64 F HA -0.055 4.472 4.527 0.000 0.000 0.299 64 F C 1.533 177.045 175.800 -0.479 0.000 1.101 64 F CA 1.010 58.827 58.000 -0.306 0.000 1.436 64 F CB -0.489 38.432 39.000 -0.132 0.000 1.074 64 F HN 0.239 nan 8.300 nan 0.000 0.553 65 N N -1.955 116.612 118.700 -0.222 0.000 2.254 65 N HA 0.010 4.750 4.740 0.000 0.000 0.190 65 N C -0.702 174.774 175.510 -0.056 0.000 1.107 65 N CA 0.068 53.047 53.050 -0.119 0.000 0.869 65 N CB -0.049 38.412 38.487 -0.043 0.000 0.983 65 N HN 0.242 nan 8.380 nan 0.000 0.487 66 H N 0.022 119.141 119.070 0.081 0.000 2.827 66 H HA -0.101 4.455 4.556 0.000 0.000 0.330 66 H C -1.194 174.170 175.328 0.061 0.000 1.236 66 H CA 0.304 56.391 56.048 0.066 0.000 1.165 66 H CB -1.811 27.985 29.762 0.057 0.000 1.532 66 H HN 0.193 nan 8.280 nan 0.000 0.434 67 L N -0.406 120.897 121.223 0.133 0.000 2.376 67 L HA 0.604 4.944 4.340 0.000 0.000 0.258 67 L C 0.077 177.024 176.870 0.128 0.000 1.013 67 L CA -1.567 53.348 54.840 0.126 0.000 0.822 67 L CB 2.131 44.264 42.059 0.123 0.000 1.388 67 L HN -0.026 nan 8.230 nan 0.000 0.413 68 V N 1.820 121.786 119.914 0.087 0.000 2.555 68 V HA 0.176 4.296 4.120 0.000 0.000 0.286 68 V C -1.989 174.117 176.094 0.019 0.000 1.044 68 V CA -1.262 61.057 62.300 0.032 0.000 1.026 68 V CB 0.736 32.564 31.823 0.008 0.000 0.981 68 V HN 0.590 nan 8.190 nan 0.000 0.480 69 P HA 0.166 nan 4.420 nan 0.000 0.262 69 P C -0.423 176.764 177.300 -0.188 0.000 1.182 69 P CA 0.239 63.059 63.100 -0.466 0.000 0.761 69 P CB 0.261 31.511 31.700 -0.751 0.000 0.795 70 R N 3.020 123.493 120.500 -0.045 0.000 2.472 70 R HA 0.300 4.640 4.340 0.000 0.000 0.294 70 R C -1.088 175.229 176.300 0.030 0.000 1.243 70 R CA -0.888 55.217 56.100 0.009 0.000 1.023 70 R CB 0.552 30.887 30.300 0.059 0.000 1.157 70 R HN 0.318 nan 8.270 nan 0.000 0.530 71 L N 4.229 125.441 121.223 -0.017 0.000 2.363 71 L HA 0.263 4.603 4.340 0.000 0.000 0.286 71 L C -0.519 176.362 176.870 0.018 0.000 1.106 71 L CA 0.082 54.927 54.840 0.008 0.000 0.859 71 L CB 1.245 43.292 42.059 -0.020 0.000 1.223 71 L HN 0.236 nan 8.230 nan 0.000 0.446 72 V N 4.517 124.452 119.914 0.035 0.000 2.531 72 V HA 0.358 4.478 4.120 0.000 0.000 0.301 72 V C -0.272 175.845 176.094 0.038 0.000 1.034 72 V CA -0.899 61.417 62.300 0.027 0.000 0.865 72 V CB 2.179 34.012 31.823 0.018 0.000 0.995 72 V HN 0.403 nan 8.190 nan 0.000 0.424 73 L N 5.145 126.396 121.223 0.047 0.000 2.315 73 L HA 0.367 4.707 4.340 0.000 0.000 0.283 73 L C 0.827 177.719 176.870 0.036 0.000 1.089 73 L CA 0.375 55.270 54.840 0.092 0.000 0.833 73 L CB 0.913 43.036 42.059 0.106 0.000 1.170 73 L HN 0.612 nan 8.230 nan 0.000 0.442 74 Q N 5.264 125.028 119.800 -0.061 0.000 3.151 74 Q HA 0.011 4.351 4.340 0.000 0.000 0.277 74 Q C 1.179 176.929 176.000 -0.418 0.000 1.343 74 Q CA 0.229 55.857 55.803 -0.291 0.000 0.925 74 Q CB -0.386 28.109 28.738 -0.405 0.000 1.771 74 Q HN 0.702 nan 8.270 nan 0.000 0.514 75 R N 0.710 121.162 120.500 -0.079 0.000 2.136 75 R HA -0.220 4.120 4.340 0.000 0.000 0.242 75 R C 1.618 177.959 176.300 0.068 0.000 1.131 75 R CA 1.655 57.784 56.100 0.050 0.000 0.937 75 R CB 0.097 30.419 30.300 0.035 0.000 0.863 75 R HN 0.403 nan 8.270 nan 0.000 0.435 76 E N 0.662 120.879 120.200 0.027 0.000 2.085 76 E HA -0.183 4.167 4.350 0.000 0.000 0.194 76 E C 1.893 178.584 176.600 0.151 0.000 0.994 76 E CA 1.049 57.515 56.400 0.111 0.000 0.801 76 E CB -0.155 29.576 29.700 0.052 0.000 0.743 76 E HN 0.230 nan 8.360 nan 0.000 0.453 77 K N 0.479 120.871 120.400 -0.014 0.000 2.002 77 K HA -0.126 4.194 4.320 0.000 0.000 0.209 77 K C 2.047 178.721 176.600 0.124 0.000 1.048 77 K CA 1.136 57.410 56.287 -0.020 0.000 0.930 77 K CB -0.672 31.713 32.500 -0.192 0.000 0.714 77 K HN 0.327 nan 8.250 nan 0.000 0.438 78 H N -0.423 118.753 119.070 0.176 0.000 2.387 78 H HA -0.120 4.436 4.556 0.000 0.000 0.299 78 H C 2.019 177.527 175.328 0.300 0.000 1.099 78 H CA 1.069 57.251 56.048 0.222 0.000 1.315 78 H CB -0.677 29.181 29.762 0.159 0.000 1.380 78 H HN 0.143 nan 8.280 nan 0.000 0.513 79 F N 1.752 121.845 119.950 0.238 0.000 2.075 79 F HA -0.237 4.290 4.527 0.000 0.000 0.297 79 F C 2.916 178.815 175.800 0.166 0.000 1.113 79 F CA 1.917 60.014 58.000 0.162 0.000 1.218 79 F CB -0.628 38.435 39.000 0.104 0.000 0.984 79 F HN 0.243 nan 8.300 nan 0.000 0.472 80 H N -1.100 117.966 119.070 -0.007 0.000 2.387 80 H HA -0.266 4.290 4.556 0.000 0.000 0.299 80 H C 2.191 177.505 175.328 -0.023 0.000 1.099 80 H CA 2.160 58.143 56.048 -0.109 0.000 1.315 80 H CB -0.969 28.814 29.762 0.036 0.000 1.380 80 H HN 0.463 nan 8.280 nan 0.000 0.513 81 Y N 1.285 121.602 120.300 0.028 0.000 2.114 81 Y HA -0.182 4.368 4.550 0.000 0.000 0.284 81 Y C 2.630 178.568 175.900 0.063 0.000 1.143 81 Y CA 1.672 59.809 58.100 0.062 0.000 1.135 81 Y CB -0.713 37.839 38.460 0.155 0.000 0.980 81 Y HN 0.130 nan 8.280 nan 0.000 0.499 82 L N 0.371 121.581 121.223 -0.021 0.000 1.976 82 L HA -0.243 4.097 4.340 0.000 0.000 0.209 82 L C 2.523 179.198 176.870 -0.325 0.000 1.071 82 L CA 2.058 56.813 54.840 -0.141 0.000 0.746 82 L CB -0.825 41.232 42.059 -0.004 0.000 0.890 82 L HN 0.192 nan 8.230 nan 0.000 0.432 83 K N 0.521 120.646 120.400 -0.458 0.000 2.211 83 K HA -0.228 4.092 4.320 0.000 0.000 0.204 83 K C 1.996 178.352 176.600 -0.406 0.000 1.047 83 K CA 1.540 57.532 56.287 -0.493 0.000 0.935 83 K CB -0.465 31.559 32.500 -0.793 0.000 0.728 83 K HN 0.151 nan 8.250 nan 0.000 0.452 84 R N -0.067 120.176 120.500 -0.430 0.000 2.080 84 R HA 0.072 4.412 4.340 0.000 0.000 0.222 84 R C 2.365 178.474 176.300 -0.319 0.000 1.107 84 R CA 1.146 57.032 56.100 -0.358 0.000 0.980 84 R CB -0.625 29.431 30.300 -0.407 0.000 0.879 84 R HN 0.448 nan 8.270 nan 0.000 0.439 85 G N 1.111 109.684 108.800 -0.378 0.000 2.448 85 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 85 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 85 G C 1.237 175.774 174.900 -0.606 0.000 1.127 85 G CA 0.314 45.081 45.100 -0.556 0.000 0.766 85 G HN 0.261 nan 8.290 nan 0.000 0.552 86 L N -0.024 120.906 121.223 -0.489 0.000 2.191 86 L HA 0.117 4.457 4.340 0.000 0.000 0.212 86 L C 2.585 179.257 176.870 -0.330 0.000 1.103 86 L CA 1.311 55.914 54.840 -0.395 0.000 0.769 86 L CB -0.129 41.749 42.059 -0.301 0.000 0.908 86 L HN 0.018 nan 8.230 nan 0.000 0.438 87 R N -0.344 119.979 120.500 -0.294 0.000 2.074 87 R HA 0.216 4.556 4.340 0.000 0.000 0.218 87 R C 0.408 176.571 176.300 -0.228 0.000 1.137 87 R CA 0.769 56.727 56.100 -0.236 0.000 0.998 87 R CB -0.210 29.979 30.300 -0.185 0.000 0.895 87 R HN 0.616 nan 8.270 nan 0.000 0.442 88 Q N -0.230 119.440 119.800 -0.216 0.000 2.462 88 Q HA 0.629 4.969 4.340 0.000 0.000 0.285 88 Q C -1.333 174.570 176.000 -0.162 0.000 1.035 88 Q CA -0.743 54.958 55.803 -0.170 0.000 0.799 88 Q CB 2.035 30.710 28.738 -0.106 0.000 1.452 88 Q HN -0.037 nan 8.270 nan 0.000 0.404 89 L N 0.680 121.837 121.223 -0.110 0.000 2.376 89 L HA 0.618 4.958 4.340 0.000 0.000 0.258 89 L C 0.125 177.040 176.870 0.075 0.000 1.013 89 L CA -1.016 53.794 54.840 -0.050 0.000 0.822 89 L CB 2.433 44.388 42.059 -0.174 0.000 1.388 89 L HN 0.961 nan 8.230 nan 0.000 0.413 90 T N -3.752 110.909 114.554 0.179 0.000 2.788 90 T HA 0.076 4.426 4.350 0.000 0.000 0.287 90 T C 0.711 175.534 174.700 0.205 0.000 1.007 90 T CA -0.210 61.995 62.100 0.174 0.000 1.005 90 T CB 0.664 69.641 68.868 0.183 0.000 1.012 90 T HN 0.751 nan 8.240 nan 0.000 0.530 91 D N -0.132 120.349 120.400 0.136 0.000 2.392 91 D HA -0.009 4.631 4.640 0.000 0.000 0.228 91 D C 1.850 178.218 176.300 0.112 0.000 1.003 91 D CA 0.833 54.902 54.000 0.115 0.000 0.917 91 D CB -0.722 40.122 40.800 0.073 0.000 0.890 91 D HN 0.676 nan 8.370 nan 0.000 0.532 92 A N -0.482 122.415 122.820 0.128 0.000 2.121 92 A HA -0.107 4.213 4.320 0.000 0.000 0.218 92 A C 1.142 178.674 177.584 -0.087 0.000 1.154 92 A CA 0.527 52.577 52.037 0.022 0.000 0.679 92 A CB -0.830 18.180 19.000 0.017 0.000 0.795 92 A HN 0.329 nan 8.150 nan 0.000 0.458 93 Y N -0.010 120.354 120.300 0.106 0.000 2.493 93 Y HA 0.142 4.692 4.550 0.000 0.000 0.275 93 Y C 1.768 177.729 175.900 0.102 0.000 1.183 93 Y CA 0.023 58.201 58.100 0.129 0.000 1.258 93 Y CB 0.003 38.562 38.460 0.164 0.000 1.108 93 Y HN 0.439 nan 8.280 nan 0.000 0.521 94 E N -0.470 119.817 120.200 0.144 0.000 2.267 94 E HA -0.231 4.119 4.350 0.000 0.000 0.197 94 E C 1.997 178.650 176.600 0.089 0.000 0.998 94 E CA 1.411 57.875 56.400 0.107 0.000 0.830 94 E CB -0.221 29.521 29.700 0.070 0.000 0.751 94 E HN 0.644 nan 8.360 nan 0.000 0.491 95 C N -0.781 118.557 119.300 0.064 0.000 2.491 95 C HA 0.127 4.587 4.460 0.000 0.000 0.277 95 C C 1.685 176.731 174.990 0.092 0.000 1.455 95 C CA -0.218 58.830 59.018 0.050 0.000 1.758 95 C CB -0.878 26.865 27.740 0.005 0.000 1.745 95 C HN 0.213 nan 8.230 nan 0.000 0.558 96 L N 0.724 122.043 121.223 0.162 0.000 3.066 96 L HA 0.250 4.590 4.340 0.000 0.000 0.265 96 L C 1.472 178.463 176.870 0.203 0.000 1.232 96 L CA 0.169 55.145 54.840 0.225 0.000 1.031 96 L CB -0.196 42.099 42.059 0.393 0.000 1.379 96 L HN 0.138 nan 8.230 nan 0.000 0.563 97 D N 1.175 121.666 120.400 0.151 0.000 2.350 97 D HA -0.104 4.536 4.640 0.000 0.000 0.216 97 D C 1.663 178.030 176.300 0.111 0.000 0.968 97 D CA 0.986 55.062 54.000 0.126 0.000 0.894 97 D CB 0.503 41.359 40.800 0.094 0.000 0.909 97 D HN 0.292 nan 8.370 nan 0.000 0.520 98 A N -0.916 121.965 122.820 0.102 0.000 2.500 98 A HA 0.387 4.707 4.320 0.000 0.000 0.267 98 A C 0.787 178.439 177.584 0.113 0.000 1.290 98 A CA -0.288 51.796 52.037 0.078 0.000 0.928 98 A CB 0.472 19.494 19.000 0.037 0.000 1.066 98 A HN 0.044 nan 8.150 nan 0.000 0.516 99 S N -0.709 115.092 115.700 0.168 0.000 2.941 99 S HA 0.177 4.647 4.470 0.000 0.000 0.248 99 S C 1.053 175.786 174.600 0.222 0.000 0.962 99 S CA -0.506 57.846 58.200 0.254 0.000 1.092 99 S CB 0.075 63.426 63.200 0.250 0.000 1.113 99 S HN 0.575 nan 8.310 nan 0.000 0.512 100 R N 1.769 122.384 120.500 0.192 0.000 2.120 100 R HA -0.030 4.310 4.340 0.000 0.000 0.234 100 R C -1.145 175.244 176.300 0.149 0.000 1.123 100 R CA 1.201 57.416 56.100 0.192 0.000 0.975 100 R CB -1.205 29.287 30.300 0.319 0.000 0.866 100 R HN 0.290 nan 8.270 nan 0.000 0.446 101 P HA -0.145 nan 4.420 nan 0.000 0.220 101 P C 0.350 177.509 177.300 -0.234 0.000 1.148 101 P CA 1.018 64.066 63.100 -0.087 0.000 0.803 101 P CB -0.038 31.526 31.700 -0.227 0.000 0.782 102 W N -0.740 120.380 121.300 -0.298 0.000 2.381 102 W HA -0.037 4.623 4.660 0.000 0.000 0.301 102 W C 2.103 178.083 176.519 -0.898 0.000 1.205 102 W CA 0.528 57.435 57.345 -0.731 0.000 1.285 102 W CB -0.893 27.955 29.460 -1.019 0.000 1.133 102 W HN -0.143 nan 8.180 nan 0.000 0.521 103 L N -0.989 120.104 121.223 -0.216 0.000 2.046 103 L HA -0.288 4.052 4.340 0.000 0.000 0.208 103 L C 2.380 179.186 176.870 -0.106 0.000 1.077 103 L CA 1.111 55.935 54.840 -0.027 0.000 0.747 103 L CB -1.053 40.987 42.059 -0.030 0.000 0.896 103 L HN 0.071 nan 8.230 nan 0.000 0.432 104 C N -1.181 118.045 119.300 -0.123 0.000 2.413 104 C HA -0.249 4.211 4.460 0.000 0.000 0.277 104 C C 2.756 177.695 174.990 -0.085 0.000 1.228 104 C CA 0.841 59.790 59.018 -0.116 0.000 1.731 104 C CB -0.849 26.850 27.740 -0.068 0.000 2.042 104 C HN 0.567 nan 8.230 nan 0.000 0.468 105 Y N 0.636 120.803 120.300 -0.222 0.000 2.145 105 Y HA -0.196 4.354 4.550 0.000 0.000 0.286 105 Y C 2.316 178.235 175.900 0.031 0.000 1.145 105 Y CA 1.512 59.501 58.100 -0.185 0.000 1.148 105 Y CB -0.714 37.533 38.460 -0.354 0.000 0.981 105 Y HN 0.396 nan 8.280 nan 0.000 0.507 106 W N 0.532 121.702 121.300 -0.216 0.000 2.338 106 W HA -0.212 4.448 4.660 0.000 0.000 0.304 106 W C 2.485 178.852 176.519 -0.254 0.000 1.212 106 W CA 1.409 58.568 57.345 -0.310 0.000 1.264 106 W CB -1.278 28.213 29.460 0.051 0.000 1.142 106 W HN 0.200 nan 8.180 nan 0.000 0.512 107 I N -0.207 120.381 120.570 0.029 0.000 2.163 107 I HA -0.307 3.863 4.170 0.000 0.000 0.240 107 I C 2.488 178.548 176.117 -0.096 0.000 1.081 107 I CA 1.161 62.410 61.300 -0.084 0.000 1.353 107 I CB -0.923 36.920 38.000 -0.263 0.000 1.054 107 I HN -0.186 nan 8.210 nan 0.000 0.407 108 L N -0.027 121.134 121.223 -0.103 0.000 2.079 108 L HA -0.283 4.057 4.340 0.000 0.000 0.210 108 L C 2.747 179.587 176.870 -0.050 0.000 1.081 108 L CA 1.518 56.316 54.840 -0.069 0.000 0.752 108 L CB -0.834 41.194 42.059 -0.051 0.000 0.896 108 L HN 0.370 nan 8.230 nan 0.000 0.433 109 H N -0.498 118.428 119.070 -0.239 0.000 2.389 109 H HA -0.088 4.468 4.556 0.000 0.000 0.299 109 H C 2.368 177.585 175.328 -0.186 0.000 1.081 109 H CA 1.587 57.480 56.048 -0.259 0.000 1.345 109 H CB 0.112 29.536 29.762 -0.563 0.000 1.393 109 H HN 0.117 nan 8.280 nan 0.000 0.520 110 S N 0.014 115.552 115.700 -0.269 0.000 2.368 110 S HA -0.089 4.381 4.470 0.000 0.000 0.225 110 S C 2.308 176.830 174.600 -0.129 0.000 1.030 110 S CA 1.180 59.236 58.200 -0.239 0.000 0.999 110 S CB -0.250 62.893 63.200 -0.095 0.000 0.844 110 S HN 0.363 nan 8.310 nan 0.000 0.459 111 L N 1.302 122.492 121.223 -0.055 0.000 2.046 111 L HA -0.144 4.196 4.340 0.000 0.000 0.208 111 L C 2.746 179.607 176.870 -0.014 0.000 1.077 111 L CA 1.528 56.384 54.840 0.028 0.000 0.747 111 L CB -0.580 41.511 42.059 0.054 0.000 0.896 111 L HN 0.431 nan 8.230 nan 0.000 0.432 112 E N 0.891 121.056 120.200 -0.059 0.000 2.058 112 E HA -0.247 4.103 4.350 0.000 0.000 0.194 112 E C 2.331 178.885 176.600 -0.076 0.000 0.997 112 E CA 1.312 57.684 56.400 -0.046 0.000 0.801 112 E CB -0.117 29.580 29.700 -0.004 0.000 0.746 112 E HN 0.465 nan 8.360 nan 0.000 0.450 113 L N 0.515 121.628 121.223 -0.183 0.000 2.083 113 L HA -0.139 4.201 4.340 0.000 0.000 0.209 113 L C 2.371 179.206 176.870 -0.057 0.000 1.083 113 L CA 0.714 55.462 54.840 -0.152 0.000 0.752 113 L CB -0.174 41.717 42.059 -0.280 0.000 0.899 113 L HN 0.263 nan 8.230 nan 0.000 0.433 114 L N -0.614 120.584 121.223 -0.041 0.000 2.599 114 L HA -0.037 4.303 4.340 0.000 0.000 0.230 114 L C 0.581 177.443 176.870 -0.012 0.000 1.141 114 L CA 0.052 54.895 54.840 0.005 0.000 0.877 114 L CB -0.332 41.763 42.059 0.060 0.000 1.009 114 L HN 0.275 nan 8.230 nan 0.000 0.447 115 D N 0.530 120.919 120.400 -0.019 0.000 2.945 115 D HA -0.165 4.475 4.640 0.000 0.000 0.225 115 D C 0.101 176.373 176.300 -0.047 0.000 1.158 115 D CA 0.689 54.673 54.000 -0.026 0.000 0.805 115 D CB -0.301 40.484 40.800 -0.025 0.000 1.098 115 D HN 0.253 nan 8.370 nan 0.000 0.426 116 E N 0.932 121.113 120.200 -0.032 0.000 2.249 116 E HA 0.392 4.742 4.350 0.000 0.000 0.280 116 E C -1.761 174.847 176.600 0.013 0.000 1.016 116 E CA -1.425 54.951 56.400 -0.041 0.000 0.830 116 E CB 0.899 30.640 29.700 0.068 0.000 1.081 116 E HN 0.309 nan 8.360 nan 0.000 0.395 117 P HA 0.289 nan 4.420 nan 0.000 0.274 117 P C -0.240 177.080 177.300 0.034 0.000 1.246 117 P CA -0.324 62.783 63.100 0.010 0.000 0.795 117 P CB 0.911 32.608 31.700 -0.005 0.000 1.006 118 I N 1.661 122.236 120.570 0.008 0.000 2.371 118 I HA 0.247 4.417 4.170 0.000 0.000 0.282 118 I C -2.162 173.948 176.117 -0.012 0.000 1.031 118 I CA -2.425 58.874 61.300 -0.002 0.000 1.180 118 I CB 0.885 38.870 38.000 -0.025 0.000 1.336 118 I HN 0.089 nan 8.210 nan 0.000 0.467 119 P HA -0.015 nan 4.420 nan 0.000 0.261 119 P C 0.543 177.828 177.300 -0.026 0.000 1.173 119 P CA 0.177 63.270 63.100 -0.011 0.000 0.760 119 P CB 0.529 32.225 31.700 -0.006 0.000 0.783 120 Q N 1.792 121.575 119.800 -0.028 0.000 2.217 120 Q HA -0.228 4.112 4.340 0.000 0.000 0.209 120 Q C 1.649 177.627 176.000 -0.036 0.000 0.988 120 Q CA 1.185 56.966 55.803 -0.036 0.000 0.878 120 Q CB -0.395 28.323 28.738 -0.034 0.000 0.909 120 Q HN 0.470 nan 8.270 nan 0.000 0.424 121 I N -0.543 120.008 120.570 -0.030 0.000 2.353 121 I HA -0.176 3.994 4.170 0.000 0.000 0.248 121 I C 1.805 177.899 176.117 -0.037 0.000 1.119 121 I CA 0.954 62.235 61.300 -0.030 0.000 1.417 121 I CB 0.037 38.022 38.000 -0.026 0.000 1.078 121 I HN -0.075 nan 8.210 nan 0.000 0.421 122 V N 1.025 120.914 119.914 -0.042 0.000 2.379 122 V HA -0.169 3.951 4.120 0.000 0.000 0.245 122 V C 2.750 178.811 176.094 -0.055 0.000 1.044 122 V CA 1.509 63.776 62.300 -0.054 0.000 1.036 122 V CB -1.500 30.288 31.823 -0.059 0.000 0.664 122 V HN 0.509 nan 8.190 nan 0.000 0.453 123 A N -0.197 122.592 122.820 -0.052 0.000 1.873 123 A HA -0.317 4.003 4.320 0.000 0.000 0.218 123 A C 2.491 180.044 177.584 -0.052 0.000 1.193 123 A CA 2.840 54.842 52.037 -0.059 0.000 0.629 123 A CB -1.190 17.769 19.000 -0.068 0.000 0.826 123 A HN 0.467 nan 8.150 nan 0.000 0.447 124 T N -0.798 113.729 114.554 -0.045 0.000 2.788 124 T HA -0.160 4.190 4.350 0.000 0.000 0.268 124 T C 1.538 176.227 174.700 -0.017 0.000 1.044 124 T CA 1.895 63.974 62.100 -0.034 0.000 1.139 124 T CB -0.610 68.240 68.868 -0.030 0.000 0.867 124 T HN 0.477 nan 8.240 nan 0.000 0.454 125 D N 0.437 120.825 120.400 -0.021 0.000 2.144 125 D HA -0.045 4.595 4.640 0.000 0.000 0.200 125 D C 2.243 178.555 176.300 0.021 0.000 0.978 125 D CA 0.853 54.848 54.000 -0.008 0.000 0.833 125 D CB -0.344 40.433 40.800 -0.037 0.000 0.961 125 D HN 0.336 nan 8.370 nan 0.000 0.470 126 V N 0.832 120.745 119.914 -0.001 0.000 2.358 126 V HA -0.244 3.876 4.120 0.000 0.000 0.246 126 V C 2.749 178.879 176.094 0.061 0.000 1.047 126 V CA 1.159 63.477 62.300 0.031 0.000 1.035 126 V CB -0.556 31.251 31.823 -0.026 0.000 0.658 126 V HN 0.272 nan 8.190 nan 0.000 0.452 127 C N -0.379 118.927 119.300 0.011 0.000 2.413 127 C HA -0.226 4.234 4.460 0.000 0.000 0.276 127 C C 2.873 177.885 174.990 0.036 0.000 1.236 127 C CA 1.202 60.223 59.018 0.004 0.000 1.735 127 C CB -1.138 26.590 27.740 -0.021 0.000 2.031 127 C HN 0.600 nan 8.230 nan 0.000 0.474 128 Q N -0.745 119.083 119.800 0.047 0.000 2.084 128 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 128 Q C 2.030 178.084 176.000 0.090 0.000 0.978 128 Q CA 1.684 57.520 55.803 0.055 0.000 0.844 128 Q CB -0.353 28.415 28.738 0.050 0.000 0.898 128 Q HN 0.784 nan 8.270 nan 0.000 0.426 129 F N 1.149 121.087 119.950 -0.021 0.000 2.113 129 F HA -0.144 4.383 4.527 0.000 0.000 0.297 129 F C 1.728 177.532 175.800 0.007 0.000 1.103 129 F CA 1.162 59.151 58.000 -0.018 0.000 1.248 129 F CB -0.212 38.763 39.000 -0.042 0.000 0.999 129 F HN -0.052 nan 8.300 nan 0.000 0.475 130 L N 0.092 121.252 121.223 -0.105 0.000 2.131 130 L HA -0.211 4.129 4.340 0.000 0.000 0.210 130 L C 2.384 179.258 176.870 0.006 0.000 1.092 130 L CA 1.576 56.325 54.840 -0.151 0.000 0.759 130 L CB -0.815 41.187 42.059 -0.096 0.000 0.903 130 L HN 0.232 nan 8.230 nan 0.000 0.435 131 E N 0.213 120.420 120.200 0.010 0.000 2.118 131 E HA -0.220 4.130 4.350 0.000 0.000 0.195 131 E C 2.318 178.880 176.600 -0.063 0.000 0.992 131 E CA 1.048 57.456 56.400 0.014 0.000 0.804 131 E CB -0.072 29.633 29.700 0.009 0.000 0.741 131 E HN 0.493 nan 8.360 nan 0.000 0.458 132 L N -0.047 121.101 121.223 -0.124 0.000 2.217 132 L HA -0.157 4.183 4.340 0.000 0.000 0.211 132 L C 2.304 179.056 176.870 -0.196 0.000 1.107 132 L CA 0.449 55.200 54.840 -0.148 0.000 0.783 132 L CB -0.119 41.855 42.059 -0.141 0.000 0.919 132 L HN 0.296 nan 8.230 nan 0.000 0.442 133 C N -1.005 118.135 119.300 -0.267 0.000 2.514 133 C HA -0.045 4.415 4.460 0.000 0.000 0.271 133 C C 1.546 176.486 174.990 -0.083 0.000 1.399 133 C CA -0.378 58.528 59.018 -0.187 0.000 1.765 133 C CB -0.781 26.820 27.740 -0.233 0.000 1.893 133 C HN 0.407 nan 8.230 nan 0.000 0.531 134 Q N 1.576 121.291 119.800 -0.142 0.000 2.313 134 Q HA 0.160 4.500 4.340 0.000 0.000 0.266 134 Q C 0.121 175.919 176.000 -0.337 0.000 0.989 134 Q CA 0.180 55.694 55.803 -0.482 0.000 0.890 134 Q CB 0.619 28.949 28.738 -0.680 0.000 1.200 134 Q HN 0.426 nan 8.270 nan 0.000 0.396 135 S N 4.266 119.739 115.700 -0.378 0.000 2.565 135 S HA 0.271 4.741 4.470 0.000 0.000 0.274 135 S C -1.560 172.897 174.600 -0.239 0.000 1.309 135 S CA -1.548 56.498 58.200 -0.258 0.000 1.043 135 S CB 0.832 63.867 63.200 -0.276 0.000 0.939 135 S HN 0.640 nan 8.310 nan 0.000 0.504 136 P HA -0.059 nan 4.420 nan 0.000 0.222 136 P C 0.101 177.329 177.300 -0.120 0.000 1.147 136 P CA 0.984 64.010 63.100 -0.123 0.000 0.790 136 P CB 0.067 31.716 31.700 -0.084 0.000 0.780 137 D N -0.303 120.013 120.400 -0.140 0.000 2.339 137 D HA 0.245 4.885 4.640 0.000 0.000 0.217 137 D C 1.190 177.419 176.300 -0.118 0.000 1.050 137 D CA 0.645 54.582 54.000 -0.105 0.000 0.856 137 D CB 0.284 41.035 40.800 -0.082 0.000 0.922 137 D HN 0.198 nan 8.370 nan 0.000 0.518 138 G N -0.228 108.439 108.800 -0.222 0.000 2.650 138 G HA2 0.389 4.349 3.960 0.000 0.000 0.686 138 G HA3 0.389 4.349 3.960 0.000 0.000 0.686 138 G C 0.197 174.763 174.900 -0.557 0.000 1.205 138 G CA -0.426 44.526 45.100 -0.246 0.000 0.781 138 G HN 0.660 nan 8.290 nan 0.000 0.648 139 G N -0.852 107.664 108.800 -0.473 0.000 2.781 139 G HA2 0.349 4.309 3.960 0.000 0.000 0.683 139 G HA3 0.349 4.309 3.960 0.000 0.000 0.683 139 G C -0.463 174.082 174.900 -0.591 0.000 1.390 139 G CA 0.111 44.934 45.100 -0.463 0.000 0.850 139 G HN 1.759 nan 8.290 nan 0.000 0.557 140 F N 0.492 120.343 119.950 -0.165 0.000 2.522 140 F HA 0.705 5.232 4.527 0.000 0.000 0.324 140 F C 1.142 176.897 175.800 -0.074 0.000 1.077 140 F CA 0.192 58.111 58.000 -0.134 0.000 0.944 140 F CB 2.074 40.991 39.000 -0.138 0.000 1.175 140 F HN 0.788 nan 8.300 nan 0.000 0.468 141 G N 0.003 108.859 108.800 0.092 0.000 2.511 141 G HA2 0.432 4.392 3.960 0.000 0.000 0.316 141 G HA3 0.432 4.392 3.960 0.000 0.000 0.316 141 G C 0.840 175.783 174.900 0.072 0.000 1.210 141 G CA -0.462 44.687 45.100 0.083 0.000 0.969 141 G HN 0.914 nan 8.290 nan 0.000 0.492 142 G N -1.637 107.204 108.800 0.068 0.000 2.776 142 G HA2 0.447 4.407 3.960 0.000 0.000 0.209 142 G HA3 0.447 4.407 3.960 0.000 0.000 0.209 142 G C 0.689 175.634 174.900 0.076 0.000 1.145 142 G CA 0.959 46.105 45.100 0.077 0.000 0.791 142 G HN 1.283 nan 8.290 nan 0.000 0.530 143 G N -1.436 107.378 108.800 0.024 0.000 2.356 143 G HA2 0.451 4.411 3.960 0.000 0.000 0.294 143 G HA3 0.451 4.411 3.960 0.000 0.000 0.294 143 G C -3.420 171.447 174.900 -0.056 0.000 1.423 143 G CA -0.998 44.116 45.100 0.024 0.000 0.806 143 G HN -0.111 nan 8.290 nan 0.000 0.527 144 P HA 0.284 nan 4.420 nan 0.000 0.260 144 P C 1.075 178.356 177.300 -0.032 0.000 1.185 144 P CA 2.159 65.218 63.100 -0.068 0.000 0.763 144 P CB 0.783 32.481 31.700 -0.003 0.000 0.776 145 G N 2.094 110.872 108.800 -0.038 0.000 2.179 145 G HA2 -0.264 3.696 3.960 0.000 0.000 0.260 145 G HA3 -0.264 3.696 3.960 0.000 0.000 0.260 145 G C 0.140 175.025 174.900 -0.025 0.000 0.977 145 G CA -0.259 44.831 45.100 -0.018 0.000 0.641 145 G HN 0.559 nan 8.290 nan 0.000 0.533 146 Q N -0.450 119.328 119.800 -0.036 0.000 2.306 146 Q HA 0.510 4.850 4.340 0.000 0.000 0.241 146 Q C 0.113 176.148 176.000 0.058 0.000 0.948 146 Q CA -0.607 55.153 55.803 -0.072 0.000 0.886 146 Q CB 0.867 29.576 28.738 -0.048 0.000 1.227 146 Q HN 0.510 nan 8.270 nan 0.000 0.457 147 Y N 1.786 122.075 120.300 -0.018 0.000 2.457 147 Y HA 0.060 4.610 4.550 0.000 0.000 0.341 147 Y C -1.532 174.363 175.900 -0.009 0.000 1.240 147 Y CA -2.001 56.086 58.100 -0.022 0.000 1.437 147 Y CB 0.088 38.544 38.460 -0.007 0.000 1.328 147 Y HN 0.432 nan 8.280 nan 0.000 0.588 148 P HA -0.020 nan 4.420 nan 0.000 0.272 148 P C -1.036 176.419 177.300 0.259 0.000 1.223 148 P CA 0.538 63.636 63.100 -0.003 0.000 0.784 148 P CB 1.169 32.581 31.700 -0.481 0.000 0.923 149 H N 1.658 120.858 119.070 0.217 0.000 3.038 149 H HA 0.186 4.742 4.556 0.000 0.000 0.362 149 H C 0.675 176.221 175.328 0.364 0.000 1.167 149 H CA -0.572 55.682 56.048 0.343 0.000 1.197 149 H CB 1.612 31.522 29.762 0.246 0.000 1.840 149 H HN 0.221 nan 8.280 nan 0.000 0.540 150 L N 2.682 124.140 121.223 0.393 0.000 2.131 150 L HA -0.159 4.181 4.340 0.000 0.000 0.210 150 L C 2.457 179.598 176.870 0.451 0.000 1.092 150 L CA 1.542 56.605 54.840 0.372 0.000 0.759 150 L CB -0.389 41.780 42.059 0.183 0.000 0.903 150 L HN 0.689 nan 8.230 nan 0.000 0.435 151 A N 0.844 124.093 122.820 0.715 0.000 1.841 151 A HA -0.105 4.215 4.320 0.000 0.000 0.214 151 A C -0.143 177.677 177.584 0.394 0.000 1.195 151 A CA 1.603 54.068 52.037 0.713 0.000 0.611 151 A CB -1.860 17.642 19.000 0.837 0.000 0.835 151 A HN 0.289 nan 8.150 nan 0.000 0.443 152 P HA -0.087 nan 4.420 nan 0.000 0.222 152 P C 1.239 178.453 177.300 -0.143 0.000 1.147 152 P CA 1.581 64.626 63.100 -0.091 0.000 0.790 152 P CB -0.348 31.403 31.700 0.084 0.000 0.780 153 T N -0.628 113.990 114.554 0.107 0.000 2.708 153 T HA -0.193 4.157 4.350 0.000 0.000 0.266 153 T C 1.711 176.363 174.700 -0.080 0.000 1.037 153 T CA 1.300 63.497 62.100 0.160 0.000 1.146 153 T CB -1.127 67.930 68.868 0.314 0.000 0.865 153 T HN 0.108 nan 8.240 nan 0.000 0.435 154 Y N 2.108 122.293 120.300 -0.192 0.000 2.181 154 Y HA -0.047 4.503 4.550 0.000 0.000 0.288 154 Y C 2.460 178.002 175.900 -0.596 0.000 1.146 154 Y CA 1.034 58.947 58.100 -0.312 0.000 1.164 154 Y CB -0.652 37.692 38.460 -0.194 0.000 0.982 154 Y HN 0.163 nan 8.280 nan 0.000 0.515 155 A N 0.748 122.988 122.820 -0.966 0.000 1.898 155 A HA -0.040 4.280 4.320 0.000 0.000 0.216 155 A C 2.430 179.504 177.584 -0.850 0.000 1.181 155 A CA 1.686 52.967 52.037 -1.260 0.000 0.620 155 A CB -1.490 16.515 19.000 -1.659 0.000 0.819 155 A HN 0.644 nan 8.150 nan 0.000 0.442 156 A N -0.447 121.907 122.820 -0.776 0.000 1.877 156 A HA -0.034 4.286 4.320 0.000 0.000 0.216 156 A C 2.224 179.357 177.584 -0.751 0.000 1.186 156 A CA 1.886 53.404 52.037 -0.865 0.000 0.620 156 A CB -0.999 17.050 19.000 -1.584 0.000 0.822 156 A HN 0.401 nan 8.150 nan 0.000 0.443 157 V N 0.682 120.191 119.914 -0.676 0.000 2.343 157 V HA -0.239 3.881 4.120 0.000 0.000 0.247 157 V C 2.346 178.205 176.094 -0.392 0.000 1.051 157 V CA 2.219 64.261 62.300 -0.430 0.000 1.036 157 V CB -1.041 30.596 31.823 -0.309 0.000 0.654 157 V HN 0.552 nan 8.190 nan 0.000 0.451 158 N N 0.275 118.628 118.700 -0.580 0.000 2.188 158 N HA -0.087 4.653 4.740 0.000 0.000 0.184 158 N C 1.835 177.198 175.510 -0.246 0.000 1.018 158 N CA 1.557 54.297 53.050 -0.517 0.000 0.858 158 N CB -0.459 37.419 38.487 -1.016 0.000 0.989 158 N HN 0.467 nan 8.380 nan 0.000 0.426 159 A N 0.781 123.453 122.820 -0.247 0.000 1.858 159 A HA -0.071 4.249 4.320 0.000 0.000 0.216 159 A C 2.290 179.803 177.584 -0.117 0.000 1.190 159 A CA 1.016 52.989 52.037 -0.106 0.000 0.617 159 A CB -0.888 18.023 19.000 -0.150 0.000 0.827 159 A HN 0.266 nan 8.150 nan 0.000 0.443 160 L N -0.742 120.382 121.223 -0.165 0.000 2.079 160 L HA -0.274 4.066 4.340 0.000 0.000 0.210 160 L C 2.642 179.472 176.870 -0.067 0.000 1.081 160 L CA 1.286 56.057 54.840 -0.114 0.000 0.752 160 L CB -0.654 41.354 42.059 -0.085 0.000 0.896 160 L HN 0.507 nan 8.230 nan 0.000 0.433 161 C N -0.439 118.849 119.300 -0.020 0.000 2.450 161 C HA -0.055 4.405 4.460 0.000 0.000 0.279 161 C C 2.696 177.694 174.990 0.014 0.000 1.335 161 C CA 0.113 59.175 59.018 0.074 0.000 1.749 161 C CB -0.530 27.231 27.740 0.035 0.000 1.963 161 C HN 0.430 nan 8.230 nan 0.000 0.501 162 I N 0.768 121.331 120.570 -0.012 0.000 2.226 162 I HA -0.194 3.976 4.170 0.000 0.000 0.245 162 I C 2.286 178.382 176.117 -0.036 0.000 1.100 162 I CA 1.674 62.979 61.300 0.008 0.000 1.374 162 I CB -0.327 37.696 38.000 0.039 0.000 1.057 162 I HN 0.308 nan 8.210 nan 0.000 0.413 163 I N 0.593 121.114 120.570 -0.081 0.000 2.252 163 I HA -0.180 3.990 4.170 0.000 0.000 0.245 163 I C 1.872 177.873 176.117 -0.193 0.000 1.102 163 I CA 1.233 62.459 61.300 -0.124 0.000 1.385 163 I CB -0.843 37.072 38.000 -0.142 0.000 1.064 163 I HN 0.457 nan 8.210 nan 0.000 0.414 164 G N 1.913 110.539 108.800 -0.289 0.000 2.233 164 G HA2 -0.293 3.667 3.960 0.000 0.000 0.270 164 G HA3 -0.293 3.667 3.960 0.000 0.000 0.270 164 G C 0.431 174.902 174.900 -0.714 0.000 1.011 164 G CA 0.698 45.512 45.100 -0.477 0.000 0.762 164 G HN 0.530 nan 8.290 nan 0.000 0.511 165 T N -3.416 110.736 114.554 -0.669 0.000 2.927 165 T HA 0.643 4.993 4.350 0.000 0.000 0.281 165 T C 1.251 175.557 174.700 -0.655 0.000 0.998 165 T CA 0.057 61.861 62.100 -0.494 0.000 1.019 165 T CB 1.671 70.375 68.868 -0.274 0.000 1.061 165 T HN -0.013 nan 8.240 nan 0.000 0.518 166 E N 0.568 120.566 120.200 -0.337 0.000 2.118 166 E HA -0.195 4.155 4.350 0.000 0.000 0.195 166 E C 1.841 178.351 176.600 -0.151 0.000 0.992 166 E CA 1.536 57.822 56.400 -0.189 0.000 0.804 166 E CB -0.255 29.416 29.700 -0.049 0.000 0.741 166 E HN 0.959 nan 8.360 nan 0.000 0.458 167 E N 0.755 120.866 120.200 -0.149 0.000 2.077 167 E HA -0.167 4.183 4.350 0.000 0.000 0.193 167 E C 2.017 178.559 176.600 -0.097 0.000 0.989 167 E CA 1.093 57.440 56.400 -0.089 0.000 0.800 167 E CB -0.026 29.626 29.700 -0.079 0.000 0.746 167 E HN 0.160 nan 8.360 nan 0.000 0.452 168 A N 0.643 123.339 122.820 -0.206 0.000 1.851 168 A HA -0.195 4.125 4.320 0.000 0.000 0.216 168 A C 2.052 179.609 177.584 -0.045 0.000 1.195 168 A CA 1.667 53.595 52.037 -0.182 0.000 0.622 168 A CB -1.318 17.484 19.000 -0.331 0.000 0.831 168 A HN 0.533 nan 8.150 nan 0.000 0.444 169 Y N 0.259 120.510 120.300 -0.082 0.000 2.151 169 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 169 Y C 2.463 178.437 175.900 0.123 0.000 1.166 169 Y CA 0.922 59.007 58.100 -0.024 0.000 1.163 169 Y CB -0.299 37.810 38.460 -0.585 0.000 0.974 169 Y HN 0.326 nan 8.280 nan 0.000 0.511 170 N N -0.062 118.753 118.700 0.193 0.000 2.453 170 N HA -0.121 4.619 4.740 0.000 0.000 0.183 170 N C 1.793 177.393 175.510 0.150 0.000 1.041 170 N CA 0.752 53.904 53.050 0.170 0.000 0.900 170 N CB -0.358 38.188 38.487 0.099 0.000 0.961 170 N HN 0.181 nan 8.380 nan 0.000 0.443 171 V N 1.755 121.753 119.914 0.139 0.000 2.332 171 V HA -0.149 3.971 4.120 0.000 0.000 0.248 171 V C 1.186 177.382 176.094 0.169 0.000 1.055 171 V CA 0.866 63.246 62.300 0.133 0.000 1.038 171 V CB -0.288 31.617 31.823 0.137 0.000 0.651 171 V HN 0.216 nan 8.190 nan 0.000 0.450 172 I N 2.208 122.921 120.570 0.238 0.000 2.581 172 I HA -0.012 4.158 4.170 0.000 0.000 0.285 172 I C 0.632 176.823 176.117 0.124 0.000 1.129 172 I CA 0.299 61.731 61.300 0.220 0.000 1.397 172 I CB -0.237 37.897 38.000 0.224 0.000 1.399 172 I HN 0.193 nan 8.210 nan 0.000 0.537 173 N N 7.427 126.143 118.700 0.026 0.000 2.448 173 N HA 0.098 4.838 4.740 0.000 0.000 0.250 173 N C 1.044 176.570 175.510 0.028 0.000 1.136 173 N CA 0.048 53.107 53.050 0.015 0.000 0.953 173 N CB 0.500 38.961 38.487 -0.044 0.000 1.251 173 N HN 0.491 nan 8.380 nan 0.000 0.502 174 R N 2.036 122.571 120.500 0.059 0.000 2.091 174 R HA -0.156 4.184 4.340 0.000 0.000 0.238 174 R C 0.949 177.290 176.300 0.068 0.000 1.136 174 R CA 1.551 57.676 56.100 0.041 0.000 0.959 174 R CB 0.152 30.481 30.300 0.048 0.000 0.856 174 R HN 0.475 nan 8.270 nan 0.000 0.437 175 E N 0.703 120.962 120.200 0.098 0.000 2.051 175 E HA -0.149 4.201 4.350 0.000 0.000 0.192 175 E C 1.827 178.580 176.600 0.255 0.000 0.991 175 E CA 1.161 57.673 56.400 0.188 0.000 0.799 175 E CB -0.011 29.797 29.700 0.179 0.000 0.748 175 E HN 0.074 nan 8.360 nan 0.000 0.449 176 K N 0.199 120.679 120.400 0.134 0.000 2.155 176 K HA -0.033 4.287 4.320 0.000 0.000 0.203 176 K C 2.068 178.750 176.600 0.137 0.000 1.052 176 K CA 0.385 56.733 56.287 0.102 0.000 0.948 176 K CB -0.415 32.085 32.500 0.000 0.000 0.728 176 K HN 0.134 nan 8.250 nan 0.000 0.448 177 L N 1.247 122.534 121.223 0.106 0.000 2.046 177 L HA -0.124 4.216 4.340 0.000 0.000 0.208 177 L C 2.105 179.094 176.870 0.198 0.000 1.077 177 L CA 1.323 56.242 54.840 0.132 0.000 0.747 177 L CB -0.751 41.349 42.059 0.068 0.000 0.896 177 L HN 0.047 nan 8.230 nan 0.000 0.432 178 L N -0.485 120.857 121.223 0.199 0.000 2.017 178 L HA -0.235 4.105 4.340 0.000 0.000 0.208 178 L C 2.538 179.706 176.870 0.497 0.000 1.073 178 L CA 1.842 56.825 54.840 0.237 0.000 0.745 178 L CB -0.858 41.276 42.059 0.125 0.000 0.894 178 L HN 0.447 nan 8.230 nan 0.000 0.432 179 Q N -1.961 118.204 119.800 0.607 0.000 2.096 179 Q HA -0.290 4.050 4.340 0.000 0.000 0.204 179 Q C 2.206 178.379 176.000 0.289 0.000 0.982 179 Q CA 2.230 58.263 55.803 0.383 0.000 0.850 179 Q CB -0.393 28.399 28.738 0.090 0.000 0.901 179 Q HN 0.621 nan 8.270 nan 0.000 0.422 180 Y N 0.936 121.310 120.300 0.123 0.000 2.145 180 Y HA -0.222 4.328 4.550 0.000 0.000 0.286 180 Y C 1.792 177.750 175.900 0.097 0.000 1.145 180 Y CA 1.396 59.539 58.100 0.073 0.000 1.148 180 Y CB -0.355 38.126 38.460 0.035 0.000 0.981 180 Y HN 0.053 nan 8.280 nan 0.000 0.507 181 L N -1.431 119.795 121.223 0.004 0.000 2.042 181 L HA -0.305 4.035 4.340 0.000 0.000 0.210 181 L C 2.267 179.116 176.870 -0.035 0.000 1.076 181 L CA 1.803 56.593 54.840 -0.083 0.000 0.749 181 L CB -0.974 41.025 42.059 -0.100 0.000 0.893 181 L HN 0.246 nan 8.230 nan 0.000 0.432 182 Y N 0.325 120.630 120.300 0.009 0.000 2.224 182 Y HA -0.275 4.275 4.550 0.000 0.000 0.289 182 Y C 3.058 178.894 175.900 -0.107 0.000 1.146 182 Y CA 1.519 59.596 58.100 -0.037 0.000 1.182 182 Y CB -0.181 38.303 38.460 0.040 0.000 0.983 182 Y HN 0.309 nan 8.280 nan 0.000 0.524 183 S N -0.459 115.269 115.700 0.045 0.000 2.474 183 S HA -0.100 4.370 4.470 0.000 0.000 0.235 183 S C 1.472 175.998 174.600 -0.124 0.000 0.997 183 S CA 0.942 59.117 58.200 -0.042 0.000 0.949 183 S CB -0.583 62.603 63.200 -0.025 0.000 0.766 183 S HN 0.497 nan 8.310 nan 0.000 0.517 184 L N -0.390 120.729 121.223 -0.174 0.000 2.556 184 L HA 0.359 4.699 4.340 0.000 0.000 0.226 184 L C 0.864 177.592 176.870 -0.237 0.000 1.089 184 L CA -0.248 54.487 54.840 -0.175 0.000 0.864 184 L CB -0.143 41.815 42.059 -0.168 0.000 1.067 184 L HN 0.096 nan 8.230 nan 0.000 0.477 185 K N 1.791 121.972 120.400 -0.365 0.000 2.451 185 K HA 0.056 4.376 4.320 0.000 0.000 0.280 185 K C -0.206 176.105 176.600 -0.482 0.000 1.020 185 K CA 0.463 56.289 56.287 -0.767 0.000 1.008 185 K CB 0.429 32.526 32.500 -0.672 0.000 0.917 185 K HN -0.078 nan 8.250 nan 0.000 0.478 186 Q N 4.576 124.055 119.800 -0.535 0.000 2.248 186 Q HA 0.286 4.626 4.340 0.000 0.000 0.263 186 Q C -1.818 174.017 176.000 -0.276 0.000 1.007 186 Q CA -2.226 53.375 55.803 -0.336 0.000 0.877 186 Q CB 0.877 29.419 28.738 -0.327 0.000 1.315 186 Q HN 0.425 nan 8.270 nan 0.000 0.454 187 P HA -0.155 nan 4.420 nan 0.000 0.218 187 P C 0.423 177.671 177.300 -0.088 0.000 1.149 187 P CA 1.346 64.378 63.100 -0.113 0.000 0.817 187 P CB 0.243 31.897 31.700 -0.076 0.000 0.785 188 D N -1.918 118.428 120.400 -0.091 0.000 2.363 188 D HA 0.060 4.700 4.640 0.000 0.000 0.226 188 D C 1.447 177.743 176.300 -0.007 0.000 1.020 188 D CA 0.788 54.783 54.000 -0.010 0.000 0.892 188 D CB -0.817 40.018 40.800 0.059 0.000 0.900 188 D HN 0.249 nan 8.370 nan 0.000 0.531 189 G N -0.282 108.433 108.800 -0.141 0.000 2.232 189 G HA2 -0.269 3.691 3.960 0.000 0.000 0.226 189 G HA3 -0.269 3.691 3.960 0.000 0.000 0.226 189 G C 0.521 175.242 174.900 -0.298 0.000 0.996 189 G CA 0.303 45.332 45.100 -0.119 0.000 0.626 189 G HN 0.794 nan 8.290 nan 0.000 0.509 190 S N -0.280 115.034 115.700 -0.644 0.000 2.661 190 S HA 0.819 5.289 4.470 0.000 0.000 0.265 190 S C -0.349 173.891 174.600 -0.599 0.000 1.225 190 S CA -0.364 57.298 58.200 -0.896 0.000 0.986 190 S CB 1.406 63.628 63.200 -1.631 0.000 1.008 190 S HN 0.576 nan 8.310 nan 0.000 0.565 191 F N -0.531 119.142 119.950 -0.462 0.000 2.565 191 F HA 0.519 5.046 4.527 0.000 0.000 0.313 191 F C -0.142 175.492 175.800 -0.276 0.000 1.091 191 F CA -0.987 56.834 58.000 -0.297 0.000 0.915 191 F CB 1.500 40.379 39.000 -0.201 0.000 1.208 191 F HN 0.442 nan 8.300 nan 0.000 0.453 192 L N 3.440 124.619 121.223 -0.073 0.000 2.453 192 L HA 0.191 4.531 4.340 0.000 0.000 0.261 192 L C 1.301 178.104 176.870 -0.112 0.000 1.179 192 L CA -0.619 54.140 54.840 -0.136 0.000 0.813 192 L CB 0.543 42.492 42.059 -0.184 0.000 1.110 192 L HN 0.672 nan 8.230 nan 0.000 0.466 193 M N 0.423 119.924 119.600 -0.166 0.000 2.319 193 M HA 0.000 4.480 4.480 0.000 0.000 0.265 193 M C 0.196 176.339 176.300 -0.261 0.000 1.068 193 M CA 1.157 56.348 55.300 -0.181 0.000 1.118 193 M CB -1.015 31.503 32.600 -0.137 0.000 1.395 193 M HN 0.796 nan 8.290 nan 0.000 0.435 194 H N -4.890 114.061 119.070 -0.200 0.000 2.987 194 H HA 0.429 4.985 4.556 0.000 0.000 0.316 194 H C -0.964 174.356 175.328 -0.014 0.000 1.380 194 H CA -1.179 54.826 56.048 -0.071 0.000 1.160 194 H CB 0.310 30.039 29.762 -0.056 0.000 1.865 194 H HN -0.251 nan 8.280 nan 0.000 0.521 195 V N 1.744 121.778 119.914 0.201 0.000 2.584 195 V HA 0.239 4.359 4.120 0.000 0.000 0.303 195 V C 1.695 177.861 176.094 0.120 0.000 1.035 195 V CA 1.832 64.195 62.300 0.105 0.000 1.172 195 V CB 0.133 32.028 31.823 0.119 0.000 0.896 195 V HN 1.480 nan 8.190 nan 0.000 0.486 196 G N 3.443 112.235 108.800 -0.014 0.000 2.168 196 G HA2 -0.169 3.791 3.960 0.000 0.000 0.257 196 G HA3 -0.169 3.791 3.960 0.000 0.000 0.257 196 G C 0.506 175.348 174.900 -0.098 0.000 0.997 196 G CA 0.351 45.450 45.100 -0.001 0.000 0.708 196 G HN 1.352 nan 8.290 nan 0.000 0.520 197 G N -0.720 107.811 108.800 -0.448 0.000 2.702 197 G HA2 0.707 4.667 3.960 0.000 0.000 0.254 197 G HA3 0.707 4.667 3.960 0.000 0.000 0.254 197 G C 0.129 174.844 174.900 -0.308 0.000 1.380 197 G CA 0.235 44.906 45.100 -0.714 0.000 1.042 197 G HN 0.613 nan 8.290 nan 0.000 0.557 198 E N -0.975 119.098 120.200 -0.211 0.000 2.254 198 E HA 0.546 4.896 4.350 0.000 0.000 0.261 198 E C -1.015 175.538 176.600 -0.079 0.000 1.051 198 E CA -0.764 55.587 56.400 -0.081 0.000 0.902 198 E CB 1.507 31.213 29.700 0.009 0.000 1.168 198 E HN 0.145 nan 8.360 nan 0.000 0.423 199 V N 1.265 121.153 119.914 -0.044 0.000 2.555 199 V HA 0.494 4.614 4.120 0.000 0.000 0.302 199 V C -0.789 175.325 176.094 0.033 0.000 1.038 199 V CA -0.347 61.919 62.300 -0.057 0.000 0.887 199 V CB 1.287 33.035 31.823 -0.126 0.000 0.991 199 V HN 0.963 nan 8.190 nan 0.000 0.434 200 D N 2.012 122.450 120.400 0.063 0.000 2.710 200 D HA 0.225 4.865 4.640 0.000 0.000 0.276 200 D C 0.268 176.734 176.300 0.277 0.000 1.267 200 D CA -0.653 53.459 54.000 0.188 0.000 0.772 200 D CB 1.422 42.260 40.800 0.062 0.000 1.299 200 D HN 0.070 nan 8.370 nan 0.000 0.421 201 V N 0.486 120.618 119.914 0.364 0.000 2.453 201 V HA -0.264 3.856 4.120 0.000 0.000 0.252 201 V C 2.361 178.655 176.094 0.334 0.000 1.068 201 V CA 2.135 64.686 62.300 0.418 0.000 1.070 201 V CB -0.925 31.063 31.823 0.275 0.000 0.664 201 V HN 0.546 nan 8.190 nan 0.000 0.461 202 R N 0.919 121.629 120.500 0.349 0.000 2.105 202 R HA -0.169 4.171 4.340 0.000 0.000 0.239 202 R C 2.607 179.051 176.300 0.240 0.000 1.135 202 R CA 1.742 58.022 56.100 0.301 0.000 0.967 202 R CB -0.593 29.874 30.300 0.278 0.000 0.861 202 R HN 0.741 nan 8.270 nan 0.000 0.442 203 S N 0.549 116.355 115.700 0.177 0.000 2.402 203 S HA -0.057 4.413 4.470 0.000 0.000 0.229 203 S C 2.221 176.809 174.600 -0.021 0.000 1.021 203 S CA 0.853 59.101 58.200 0.080 0.000 0.974 203 S CB -0.074 63.160 63.200 0.058 0.000 0.800 203 S HN 0.358 nan 8.310 nan 0.000 0.484 204 A N 0.770 123.632 122.820 0.069 0.000 1.898 204 A HA 0.015 4.335 4.320 0.000 0.000 0.216 204 A C 2.074 179.666 177.584 0.013 0.000 1.181 204 A CA 1.439 53.503 52.037 0.045 0.000 0.620 204 A CB -1.179 17.960 19.000 0.232 0.000 0.819 204 A HN 0.684 nan 8.150 nan 0.000 0.442 205 Y N 0.132 120.423 120.300 -0.015 0.000 2.163 205 Y HA -0.228 4.322 4.550 0.000 0.000 0.288 205 Y C 2.511 178.392 175.900 -0.032 0.000 1.136 205 Y CA 1.300 59.380 58.100 -0.034 0.000 1.147 205 Y CB -0.926 37.542 38.460 0.013 0.000 0.987 205 Y HN 0.356 nan 8.280 nan 0.000 0.509 206 C N 0.639 119.817 119.300 -0.204 0.000 2.413 206 C HA -0.165 4.295 4.460 0.000 0.000 0.276 206 C C 3.079 177.986 174.990 -0.138 0.000 1.248 206 C CA 1.340 60.232 59.018 -0.211 0.000 1.742 206 C CB -1.798 25.951 27.740 0.014 0.000 2.017 206 C HN 0.748 nan 8.230 nan 0.000 0.481 207 A N 0.423 123.125 122.820 -0.197 0.000 1.855 207 A HA 0.100 4.420 4.320 0.000 0.000 0.215 207 A C 2.385 179.967 177.584 -0.004 0.000 1.191 207 A CA 2.033 53.945 52.037 -0.208 0.000 0.613 207 A CB -1.061 17.512 19.000 -0.710 0.000 0.829 207 A HN 0.572 nan 8.150 nan 0.000 0.442 208 A N -0.798 121.947 122.820 -0.124 0.000 1.972 208 A HA -0.103 4.217 4.320 0.000 0.000 0.219 208 A C 2.464 179.975 177.584 -0.123 0.000 1.169 208 A CA 2.236 54.087 52.037 -0.310 0.000 0.635 208 A CB -0.855 17.835 19.000 -0.518 0.000 0.810 208 A HN 0.581 nan 8.150 nan 0.000 0.446 209 S N -0.356 115.258 115.700 -0.142 0.000 2.345 209 S HA -0.141 4.329 4.470 0.000 0.000 0.220 209 S C 2.077 176.730 174.600 0.088 0.000 1.031 209 S CA 2.099 60.319 58.200 0.033 0.000 0.996 209 S CB -0.785 62.358 63.200 -0.095 0.000 0.882 209 S HN 0.972 nan 8.310 nan 0.000 0.445 210 V N 0.491 120.411 119.914 0.009 0.000 2.453 210 V HA 0.185 4.305 4.120 0.000 0.000 0.247 210 V C 2.545 178.605 176.094 -0.057 0.000 1.048 210 V CA 1.553 63.826 62.300 -0.045 0.000 1.049 210 V CB -1.640 30.172 31.823 -0.020 0.000 0.672 210 V HN 0.506 nan 8.190 nan 0.000 0.457 211 A N 1.739 124.566 122.820 0.013 0.000 1.930 211 A HA -0.128 4.192 4.320 0.000 0.000 0.217 211 A C 2.568 180.163 177.584 0.019 0.000 1.175 211 A CA 2.480 54.541 52.037 0.041 0.000 0.627 211 A CB -0.930 18.196 19.000 0.210 0.000 0.815 211 A HN 0.898 nan 8.150 nan 0.000 0.443 212 S N -0.043 115.680 115.700 0.037 0.000 2.377 212 S HA -0.009 4.461 4.470 0.000 0.000 0.223 212 S C 1.888 176.467 174.600 -0.036 0.000 1.030 212 S CA 1.187 59.410 58.200 0.039 0.000 0.970 212 S CB -0.727 62.542 63.200 0.115 0.000 0.830 212 S HN 0.413 nan 8.310 nan 0.000 0.473 213 L N 1.992 123.147 121.223 -0.113 0.000 2.083 213 L HA -0.057 4.283 4.340 0.000 0.000 0.209 213 L C 2.868 179.555 176.870 -0.304 0.000 1.083 213 L CA 1.632 56.330 54.840 -0.237 0.000 0.752 213 L CB -0.989 40.876 42.059 -0.325 0.000 0.899 213 L HN 0.619 nan 8.230 nan 0.000 0.433 214 T N -4.443 109.837 114.554 -0.457 0.000 3.107 214 T HA 0.060 4.410 4.350 0.000 0.000 0.249 214 T C 0.813 175.312 174.700 -0.334 0.000 1.096 214 T CA 0.098 61.682 62.100 -0.859 0.000 1.012 214 T CB -0.319 68.076 68.868 -0.789 0.000 0.977 214 T HN 0.328 nan 8.240 nan 0.000 0.527 215 N N 1.294 119.915 118.700 -0.130 0.000 2.696 215 N HA -0.171 4.569 4.740 0.000 0.000 0.256 215 N C 0.215 175.701 175.510 -0.039 0.000 1.031 215 N CA 0.923 53.955 53.050 -0.031 0.000 0.730 215 N CB -1.866 36.641 38.487 0.033 0.000 0.894 215 N HN 0.908 nan 8.380 nan 0.000 0.544 216 I N -2.660 117.880 120.570 -0.050 0.000 3.947 216 I HA 0.375 4.545 4.170 0.000 0.000 0.327 216 I C 0.009 176.100 176.117 -0.043 0.000 1.519 216 I CA -0.644 60.621 61.300 -0.059 0.000 1.122 216 I CB 0.135 38.092 38.000 -0.071 0.000 1.146 216 I HN 0.032 nan 8.210 nan 0.000 0.442 217 I N 3.758 124.335 120.570 0.012 0.000 2.436 217 I HA 0.116 4.286 4.170 0.000 0.000 0.289 217 I C 0.951 177.082 176.117 0.023 0.000 1.083 217 I CA 0.133 61.468 61.300 0.059 0.000 1.372 217 I CB 0.936 39.031 38.000 0.159 0.000 1.408 217 I HN 0.356 nan 8.210 nan 0.000 0.516 218 T N 3.150 117.698 114.554 -0.009 0.000 2.881 218 T HA 0.336 4.686 4.350 0.000 0.000 0.278 218 T C -1.692 173.037 174.700 0.048 0.000 0.982 218 T CA -1.760 60.349 62.100 0.015 0.000 0.989 218 T CB 1.357 70.257 68.868 0.053 0.000 1.058 218 T HN 0.281 nan 8.240 nan 0.000 0.529 219 P HA -0.083 nan 4.420 nan 0.000 0.216 219 P C 0.971 178.314 177.300 0.072 0.000 1.150 219 P CA 1.192 64.329 63.100 0.061 0.000 0.843 219 P CB 0.024 31.753 31.700 0.048 0.000 0.787 220 D N -1.859 118.586 120.400 0.075 0.000 2.398 220 D HA -0.003 4.637 4.640 0.000 0.000 0.210 220 D C 1.654 177.959 176.300 0.010 0.000 1.094 220 D CA -0.167 53.874 54.000 0.069 0.000 0.839 220 D CB -0.794 40.059 40.800 0.089 0.000 0.963 220 D HN -0.001 nan 8.370 nan 0.000 0.506 221 L N 0.137 121.302 121.223 -0.097 0.000 2.013 221 L HA -0.032 4.308 4.340 0.000 0.000 0.212 221 L C 0.989 177.565 176.870 -0.490 0.000 1.073 221 L CA 1.721 56.284 54.840 -0.461 0.000 0.753 221 L CB -0.695 40.968 42.059 -0.659 0.000 0.890 221 L HN -0.029 nan 8.230 nan 0.000 0.432 222 F N -0.657 119.323 119.950 0.050 0.000 2.837 222 F HA 0.284 4.811 4.527 0.000 0.000 0.298 222 F C 0.683 176.522 175.800 0.065 0.000 1.161 222 F CA -0.725 57.340 58.000 0.108 0.000 1.353 222 F CB -0.173 38.894 39.000 0.111 0.000 0.951 222 F HN -0.025 nan 8.300 nan 0.000 0.508 223 E N 0.552 120.819 120.200 0.112 0.000 2.366 223 E HA 0.339 4.689 4.350 0.000 0.000 0.266 223 E C 1.202 177.848 176.600 0.077 0.000 1.015 223 E CA 0.910 57.362 56.400 0.086 0.000 0.906 223 E CB 0.489 30.214 29.700 0.041 0.000 0.979 223 E HN 0.498 nan 8.360 nan 0.000 0.443 224 G N 3.256 112.117 108.800 0.102 0.000 2.205 224 G HA2 -0.363 3.597 3.960 0.000 0.000 0.261 224 G HA3 -0.363 3.597 3.960 0.000 0.000 0.261 224 G C 1.257 176.263 174.900 0.177 0.000 0.980 224 G CA 0.765 45.931 45.100 0.109 0.000 0.632 224 G HN 0.597 nan 8.290 nan 0.000 0.533 225 T N 0.928 115.615 114.554 0.222 0.000 2.777 225 T HA 0.168 4.518 4.350 0.000 0.000 0.266 225 T C 2.792 177.664 174.700 0.287 0.000 1.040 225 T CA 2.352 64.641 62.100 0.315 0.000 1.141 225 T CB -0.423 68.732 68.868 0.478 0.000 0.868 225 T HN 1.182 nan 8.240 nan 0.000 0.444 226 A N 1.636 124.571 122.820 0.191 0.000 1.902 226 A HA -0.141 4.179 4.320 0.000 0.000 0.217 226 A C 2.221 179.872 177.584 0.112 0.000 1.181 226 A CA 1.675 53.785 52.037 0.122 0.000 0.623 226 A CB -0.511 18.535 19.000 0.075 0.000 0.818 226 A HN 0.408 nan 8.150 nan 0.000 0.443 227 E N -1.413 118.861 120.200 0.123 0.000 2.106 227 E HA -0.173 4.177 4.350 0.000 0.000 0.192 227 E C 1.546 178.202 176.600 0.093 0.000 0.984 227 E CA 1.133 57.585 56.400 0.087 0.000 0.806 227 E CB -0.403 29.347 29.700 0.084 0.000 0.750 227 E HN 0.847 nan 8.360 nan 0.000 0.458 228 W N 0.916 122.226 121.300 0.018 0.000 2.381 228 W HA -0.072 4.588 4.660 0.000 0.000 0.301 228 W C 1.702 178.222 176.519 0.000 0.000 1.205 228 W CA 1.360 58.711 57.345 0.010 0.000 1.285 228 W CB -0.155 29.321 29.460 0.026 0.000 1.133 228 W HN -0.025 nan 8.180 nan 0.000 0.521 229 I N 0.669 121.329 120.570 0.151 0.000 2.226 229 I HA -0.312 3.858 4.170 0.000 0.000 0.245 229 I C 2.587 178.585 176.117 -0.198 0.000 1.100 229 I CA 1.430 62.713 61.300 -0.029 0.000 1.374 229 I CB -1.074 36.999 38.000 0.122 0.000 1.057 229 I HN 0.080 nan 8.210 nan 0.000 0.413 230 A N 0.807 123.554 122.820 -0.123 0.000 1.933 230 A HA -0.205 4.115 4.320 0.000 0.000 0.218 230 A C 2.336 179.799 177.584 -0.201 0.000 1.175 230 A CA 1.411 53.368 52.037 -0.133 0.000 0.628 230 A CB -0.584 18.373 19.000 -0.072 0.000 0.814 230 A HN 0.337 nan 8.150 nan 0.000 0.444 231 R N -1.191 119.145 120.500 -0.274 0.000 2.241 231 R HA -0.095 4.245 4.340 0.000 0.000 0.224 231 R C 1.544 177.618 176.300 -0.378 0.000 1.101 231 R CA 1.164 57.079 56.100 -0.309 0.000 0.995 231 R CB -0.553 29.524 30.300 -0.371 0.000 0.870 231 R HN 0.606 nan 8.270 nan 0.000 0.463 232 C N 0.190 119.209 119.300 -0.468 0.000 2.618 232 C HA 0.044 4.504 4.460 0.000 0.000 0.264 232 C C 1.177 175.976 174.990 -0.319 0.000 1.334 232 C CA -0.410 58.345 59.018 -0.440 0.000 1.731 232 C CB -0.826 26.599 27.740 -0.524 0.000 1.852 232 C HN 0.433 nan 8.230 nan 0.000 0.566 233 Q N 2.718 122.354 119.800 -0.272 0.000 2.288 233 Q HA 0.203 4.543 4.340 0.000 0.000 0.258 233 Q C 0.022 175.880 176.000 -0.236 0.000 0.957 233 Q CA 0.104 55.749 55.803 -0.264 0.000 0.919 233 Q CB 0.607 29.220 28.738 -0.209 0.000 1.185 233 Q HN 0.681 nan 8.270 nan 0.000 0.408 234 N N 3.465 121.986 118.700 -0.299 0.000 2.813 234 N HA 0.138 4.878 4.740 0.000 0.000 0.320 234 N C 0.873 176.243 175.510 -0.233 0.000 1.315 234 N CA -0.630 52.278 53.050 -0.236 0.000 0.871 234 N CB -0.369 37.939 38.487 -0.298 0.000 1.241 234 N HN 0.856 nan 8.380 nan 0.000 0.602 235 W N -0.526 120.720 121.300 -0.090 0.000 2.359 235 W HA -0.066 4.594 4.660 0.000 0.000 0.275 235 W C 0.432 176.929 176.519 -0.037 0.000 1.217 235 W CA 0.892 58.205 57.345 -0.053 0.000 1.196 235 W CB -0.934 28.507 29.460 -0.032 0.000 1.129 235 W HN 0.580 nan 8.180 nan 0.000 0.566 236 E N 0.172 119.867 120.200 -0.842 0.000 2.285 236 E HA 0.123 4.473 4.350 0.000 0.000 0.194 236 E C 2.133 178.548 176.600 -0.308 0.000 0.997 236 E CA 0.939 56.934 56.400 -0.675 0.000 0.845 236 E CB -0.335 28.796 29.700 -0.947 0.000 0.782 236 E HN 0.434 nan 8.360 nan 0.000 0.491 237 G N 0.665 109.240 108.800 -0.376 0.000 2.284 237 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 237 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 237 G C 0.574 175.186 174.900 -0.481 0.000 1.009 237 G CA -0.219 44.738 45.100 -0.239 0.000 0.625 237 G HN 0.523 nan 8.290 nan 0.000 0.501 238 G N -0.417 107.706 108.800 -1.128 0.000 2.525 238 G HA2 0.645 4.605 3.960 0.000 0.000 0.287 238 G HA3 0.645 4.605 3.960 0.000 0.000 0.287 238 G C -0.298 174.082 174.900 -0.866 0.000 1.350 238 G CA -0.570 43.609 45.100 -1.535 0.000 1.039 238 G HN 0.669 nan 8.290 nan 0.000 0.513 239 I N 0.128 120.274 120.570 -0.706 0.000 2.465 239 I HA 0.460 4.630 4.170 0.000 0.000 0.291 239 I C 0.765 176.724 176.117 -0.264 0.000 1.014 239 I CA -0.697 60.368 61.300 -0.391 0.000 1.093 239 I CB 2.132 39.985 38.000 -0.246 0.000 1.267 239 I HN 0.583 nan 8.210 nan 0.000 0.431 240 G N 2.692 111.336 108.800 -0.260 0.000 2.488 240 G HA2 0.426 4.386 3.960 0.000 0.000 0.318 240 G HA3 0.426 4.386 3.960 0.000 0.000 0.318 240 G C 0.906 175.561 174.900 -0.407 0.000 1.188 240 G CA -0.141 44.827 45.100 -0.221 0.000 0.944 240 G HN 0.790 nan 8.290 nan 0.000 0.495 241 G N -1.222 107.114 108.800 -0.774 0.000 2.440 241 G HA2 0.176 4.136 3.960 0.000 0.000 0.218 241 G HA3 0.176 4.136 3.960 0.000 0.000 0.218 241 G C 0.703 175.325 174.900 -0.463 0.000 1.154 241 G CA 1.941 46.266 45.100 -1.292 0.000 0.767 241 G HN 1.474 nan 8.290 nan 0.000 0.552 242 V N -4.547 115.189 119.914 -0.297 0.000 3.130 242 V HA 0.672 4.792 4.120 0.000 0.000 0.310 242 V C -2.996 172.953 176.094 -0.241 0.000 1.158 242 V CA -3.075 59.134 62.300 -0.153 0.000 1.029 242 V CB 1.762 33.594 31.823 0.015 0.000 1.057 242 V HN -0.111 nan 8.190 nan 0.000 0.436 243 P HA 0.366 nan 4.420 nan 0.000 0.262 243 P C 0.948 178.171 177.300 -0.129 0.000 1.182 243 P CA 2.014 64.964 63.100 -0.250 0.000 0.761 243 P CB 0.651 32.197 31.700 -0.257 0.000 0.795 244 G N 1.923 110.662 108.800 -0.102 0.000 2.279 244 G HA2 -0.198 3.762 3.960 0.000 0.000 0.223 244 G HA3 -0.198 3.762 3.960 0.000 0.000 0.223 244 G C 0.211 175.103 174.900 -0.012 0.000 1.015 244 G CA -0.450 44.631 45.100 -0.032 0.000 0.621 244 G HN 0.389 nan 8.290 nan 0.000 0.506 245 M N 1.487 121.050 119.600 -0.062 0.000 2.228 245 M HA 0.380 4.860 4.480 0.000 0.000 0.326 245 M C 0.757 177.028 176.300 -0.050 0.000 1.122 245 M CA -0.694 54.579 55.300 -0.045 0.000 1.161 245 M CB 0.698 33.243 32.600 -0.092 0.000 1.437 245 M HN 0.432 nan 8.290 nan 0.000 0.465 246 E N 1.147 121.351 120.200 0.006 0.000 2.442 246 E HA 0.260 4.610 4.350 0.000 0.000 0.262 246 E C -0.651 175.912 176.600 -0.061 0.000 1.004 246 E CA -0.377 56.020 56.400 -0.005 0.000 0.928 246 E CB 0.742 30.494 29.700 0.086 0.000 0.937 246 E HN 0.691 nan 8.360 nan 0.000 0.446 247 A N 4.864 127.559 122.820 -0.210 0.000 2.477 247 A HA 0.092 4.412 4.320 0.000 0.000 0.246 247 A C -0.475 177.119 177.584 0.017 0.000 1.078 247 A CA 0.085 51.917 52.037 -0.341 0.000 0.770 247 A CB 0.319 18.780 19.000 -0.899 0.000 1.011 247 A HN 0.719 nan 8.150 nan 0.000 0.494 248 H N 1.502 120.557 119.070 -0.026 0.000 2.865 248 H HA 0.377 4.933 4.556 0.000 0.000 0.362 248 H C 1.213 176.644 175.328 0.170 0.000 1.114 248 H CA 0.151 56.291 56.048 0.153 0.000 1.208 248 H CB 1.784 31.634 29.762 0.148 0.000 1.727 248 H HN 0.682 nan 8.280 nan 0.000 0.534 249 G N 2.424 111.251 108.800 0.045 0.000 2.469 249 G HA2 -0.293 3.667 3.960 0.000 0.000 0.219 249 G HA3 -0.293 3.667 3.960 0.000 0.000 0.219 249 G C 1.505 176.517 174.900 0.187 0.000 1.150 249 G CA 0.917 46.105 45.100 0.147 0.000 0.763 249 G HN 0.673 nan 8.290 nan 0.000 0.561 250 G N -0.111 108.792 108.800 0.171 0.000 2.421 250 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 250 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 250 G C 1.622 176.353 174.900 -0.282 0.000 1.171 250 G CA 0.909 45.783 45.100 -0.377 0.000 0.775 250 G HN 0.525 nan 8.290 nan 0.000 0.543 251 Y N 0.900 121.193 120.300 -0.012 0.000 2.314 251 Y HA -0.052 4.498 4.550 0.000 0.000 0.293 251 Y C 3.299 179.174 175.900 -0.043 0.000 1.129 251 Y CA 1.171 59.248 58.100 -0.038 0.000 1.201 251 Y CB -0.112 38.320 38.460 -0.047 0.000 0.999 251 Y HN 0.125 nan 8.280 nan 0.000 0.541 252 T N 0.302 114.923 114.554 0.111 0.000 2.812 252 T HA -0.195 4.155 4.350 0.000 0.000 0.264 252 T C 1.550 176.255 174.700 0.009 0.000 1.042 252 T CA 1.261 63.363 62.100 0.003 0.000 1.140 252 T CB -0.613 68.245 68.868 -0.017 0.000 0.870 252 T HN 0.339 nan 8.240 nan 0.000 0.445 253 F N 1.601 121.542 119.950 -0.015 0.000 2.075 253 F HA -0.170 4.357 4.527 0.000 0.000 0.297 253 F C 2.421 178.128 175.800 -0.156 0.000 1.113 253 F CA 0.831 58.802 58.000 -0.048 0.000 1.218 253 F CB -0.784 38.277 39.000 0.101 0.000 0.984 253 F HN 0.140 nan 8.300 nan 0.000 0.472 254 C N 0.914 120.153 119.300 -0.103 0.000 2.413 254 C HA -0.119 4.341 4.460 0.000 0.000 0.276 254 C C 3.088 177.980 174.990 -0.163 0.000 1.248 254 C CA 1.250 60.109 59.018 -0.264 0.000 1.742 254 C CB -1.982 25.776 27.740 0.030 0.000 2.017 254 C HN 0.757 nan 8.230 nan 0.000 0.481 255 G N 0.085 108.838 108.800 -0.078 0.000 2.433 255 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 255 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 255 G C 1.493 176.322 174.900 -0.119 0.000 1.186 255 G CA 0.961 46.032 45.100 -0.049 0.000 0.779 255 G HN 0.437 nan 8.290 nan 0.000 0.543 256 L N 1.421 122.526 121.223 -0.197 0.000 2.046 256 L HA 0.186 4.526 4.340 0.000 0.000 0.208 256 L C 3.067 179.781 176.870 -0.261 0.000 1.077 256 L CA 2.107 56.825 54.840 -0.204 0.000 0.747 256 L CB -0.775 41.163 42.059 -0.202 0.000 0.896 256 L HN 0.247 nan 8.230 nan 0.000 0.432 257 A N -0.538 121.999 122.820 -0.471 0.000 1.902 257 A HA -0.110 4.210 4.320 0.000 0.000 0.217 257 A C 2.443 179.947 177.584 -0.133 0.000 1.181 257 A CA 1.801 53.581 52.037 -0.427 0.000 0.623 257 A CB -1.124 17.360 19.000 -0.859 0.000 0.818 257 A HN 0.562 nan 8.150 nan 0.000 0.443 258 A N -0.361 122.433 122.820 -0.042 0.000 1.930 258 A HA -0.003 4.317 4.320 0.000 0.000 0.217 258 A C 2.142 179.675 177.584 -0.085 0.000 1.175 258 A CA 1.406 53.442 52.037 -0.002 0.000 0.627 258 A CB -0.543 18.489 19.000 0.053 0.000 0.815 258 A HN 0.469 nan 8.150 nan 0.000 0.443 259 L N -0.598 120.581 121.223 -0.073 0.000 2.141 259 L HA -0.131 4.209 4.340 0.000 0.000 0.209 259 L C 2.458 179.291 176.870 -0.062 0.000 1.094 259 L CA 0.767 55.570 54.840 -0.061 0.000 0.763 259 L CB -0.422 41.608 42.059 -0.049 0.000 0.908 259 L HN 0.245 nan 8.230 nan 0.000 0.437 260 V N 0.143 120.012 119.914 -0.074 0.000 2.427 260 V HA -0.273 3.847 4.120 0.000 0.000 0.248 260 V C 2.293 178.364 176.094 -0.039 0.000 1.051 260 V CA 1.625 63.896 62.300 -0.048 0.000 1.048 260 V CB -0.200 31.589 31.823 -0.056 0.000 0.666 260 V HN 0.318 nan 8.190 nan 0.000 0.456 261 I N -0.359 120.167 120.570 -0.073 0.000 2.226 261 I HA -0.229 3.941 4.170 0.000 0.000 0.245 261 I C 2.001 178.068 176.117 -0.083 0.000 1.100 261 I CA 1.612 62.868 61.300 -0.074 0.000 1.374 261 I CB -0.188 37.734 38.000 -0.130 0.000 1.057 261 I HN 0.258 nan 8.210 nan 0.000 0.413 262 L N 0.306 121.457 121.223 -0.121 0.000 2.599 262 L HA 0.020 4.360 4.340 0.000 0.000 0.230 262 L C 0.568 177.419 176.870 -0.031 0.000 1.141 262 L CA 0.269 55.048 54.840 -0.102 0.000 0.877 262 L CB -0.357 41.622 42.059 -0.134 0.000 1.009 262 L HN 0.222 nan 8.230 nan 0.000 0.447 263 K N -0.138 120.250 120.400 -0.020 0.000 3.129 263 K HA -0.170 4.150 4.320 0.000 0.000 0.273 263 K C 0.105 176.708 176.600 0.006 0.000 1.123 263 K CA 0.346 56.635 56.287 0.003 0.000 0.800 263 K CB -0.973 31.538 32.500 0.018 0.000 1.238 263 K HN 0.122 nan 8.250 nan 0.000 0.492 264 K N 0.418 120.816 120.400 -0.004 0.000 2.618 264 K HA 0.063 4.383 4.320 0.000 0.000 0.207 264 K C 0.460 177.058 176.600 -0.004 0.000 1.058 264 K CA 0.121 56.410 56.287 0.003 0.000 1.086 264 K CB 0.875 33.382 32.500 0.010 0.000 0.827 264 K HN 0.200 nan 8.250 nan 0.000 0.481 265 E N 0.364 120.559 120.200 -0.008 0.000 2.209 265 E HA -0.177 4.173 4.350 0.000 0.000 0.196 265 E C 1.500 178.095 176.600 -0.009 0.000 0.993 265 E CA 0.995 57.386 56.400 -0.014 0.000 0.819 265 E CB -0.106 29.587 29.700 -0.012 0.000 0.745 265 E HN 0.013 nan 8.360 nan 0.000 0.477 266 R N 0.413 120.913 120.500 0.000 0.000 2.200 266 R HA 0.021 4.361 4.340 0.000 0.000 0.234 266 R C 2.022 178.319 176.300 -0.004 0.000 1.127 266 R CA 1.034 57.135 56.100 0.001 0.000 0.989 266 R CB -0.675 29.629 30.300 0.006 0.000 0.869 266 R HN 0.079 nan 8.270 nan 0.000 0.459 267 S N -0.070 115.627 115.700 -0.006 0.000 2.500 267 S HA -0.012 4.458 4.470 0.000 0.000 0.239 267 S C 0.586 175.172 174.600 -0.025 0.000 0.989 267 S CA 0.649 58.843 58.200 -0.010 0.000 0.951 267 S CB -0.116 63.082 63.200 -0.004 0.000 0.759 267 S HN 0.147 nan 8.310 nan 0.000 0.523 268 L N 1.383 122.588 121.223 -0.029 0.000 2.334 268 L HA 0.420 4.760 4.340 0.000 0.000 0.270 268 L C 0.345 177.197 176.870 -0.030 0.000 1.018 268 L CA -0.877 53.937 54.840 -0.043 0.000 0.811 268 L CB 0.557 42.583 42.059 -0.055 0.000 1.271 268 L HN -0.046 nan 8.230 nan 0.000 0.443 269 N N 1.835 120.514 118.700 -0.035 0.000 2.448 269 N HA 0.142 4.882 4.740 0.000 0.000 0.250 269 N C 0.644 176.147 175.510 -0.011 0.000 1.136 269 N CA 0.077 53.116 53.050 -0.018 0.000 0.953 269 N CB 0.698 39.174 38.487 -0.019 0.000 1.251 269 N HN 0.592 nan 8.380 nan 0.000 0.502 270 L N 2.243 123.467 121.223 0.001 0.000 2.201 270 L HA -0.111 4.229 4.340 0.000 0.000 0.212 270 L C 2.024 178.915 176.870 0.035 0.000 1.105 270 L CA 0.786 55.635 54.840 0.015 0.000 0.775 270 L CB -0.165 41.905 42.059 0.019 0.000 0.913 270 L HN 0.349 nan 8.230 nan 0.000 0.440 271 K N 0.122 120.543 120.400 0.034 0.000 2.103 271 K HA -0.049 4.271 4.320 0.000 0.000 0.204 271 K C 2.361 178.997 176.600 0.060 0.000 1.052 271 K CA 1.558 57.874 56.287 0.048 0.000 0.945 271 K CB -0.403 32.121 32.500 0.040 0.000 0.722 271 K HN 0.378 nan 8.250 nan 0.000 0.443 272 S N 1.245 116.972 115.700 0.046 0.000 2.428 272 S HA -0.046 4.424 4.470 0.000 0.000 0.230 272 S C 2.088 176.738 174.600 0.084 0.000 1.014 272 S CA 0.513 58.746 58.200 0.056 0.000 0.957 272 S CB -0.447 62.767 63.200 0.023 0.000 0.784 272 S HN 0.219 nan 8.310 nan 0.000 0.499 273 L N 0.285 121.544 121.223 0.059 0.000 2.072 273 L HA 0.070 4.410 4.340 0.000 0.000 0.205 273 L C 2.467 179.448 176.870 0.186 0.000 1.079 273 L CA 1.191 56.086 54.840 0.092 0.000 0.752 273 L CB -0.341 41.732 42.059 0.023 0.000 0.906 273 L HN 0.388 nan 8.230 nan 0.000 0.436 274 L N -0.136 121.167 121.223 0.133 0.000 2.046 274 L HA -0.275 4.065 4.340 0.000 0.000 0.208 274 L C 2.454 179.414 176.870 0.150 0.000 1.077 274 L CA 1.877 56.801 54.840 0.142 0.000 0.747 274 L CB -0.627 41.501 42.059 0.116 0.000 0.896 274 L HN 0.355 nan 8.230 nan 0.000 0.432 275 Q N -1.842 118.042 119.800 0.140 0.000 2.119 275 Q HA -0.247 4.093 4.340 0.000 0.000 0.201 275 Q C 2.039 178.121 176.000 0.137 0.000 0.972 275 Q CA 1.794 57.670 55.803 0.122 0.000 0.847 275 Q CB -0.396 28.405 28.738 0.105 0.000 0.903 275 Q HN 0.700 nan 8.270 nan 0.000 0.433 276 W N -0.228 121.071 121.300 -0.003 0.000 2.378 276 W HA -0.199 4.461 4.660 0.000 0.000 0.313 276 W C 1.944 178.461 176.519 -0.004 0.000 1.197 276 W CA 1.540 58.867 57.345 -0.030 0.000 1.304 276 W CB -0.578 28.836 29.460 -0.077 0.000 1.148 276 W HN 0.011 nan 8.180 nan 0.000 0.494 277 V N 1.311 121.290 119.914 0.108 0.000 2.427 277 V HA -0.264 3.856 4.120 0.000 0.000 0.248 277 V C 2.438 178.511 176.094 -0.035 0.000 1.051 277 V CA 3.140 65.370 62.300 -0.118 0.000 1.048 277 V CB -1.108 30.792 31.823 0.128 0.000 0.666 277 V HN 0.464 nan 8.190 nan 0.000 0.456 278 T N -3.032 111.558 114.554 0.060 0.000 2.915 278 T HA -0.128 4.222 4.350 0.000 0.000 0.269 278 T C 1.863 176.548 174.700 -0.026 0.000 1.071 278 T CA 1.664 63.827 62.100 0.106 0.000 1.132 278 T CB -0.506 68.439 68.868 0.128 0.000 0.878 278 T HN 0.455 nan 8.240 nan 0.000 0.479 279 S N 0.949 116.579 115.700 -0.117 0.000 2.481 279 S HA 0.097 4.567 4.470 0.000 0.000 0.231 279 S C 1.982 176.419 174.600 -0.272 0.000 0.996 279 S CA 0.086 58.183 58.200 -0.172 0.000 0.942 279 S CB -0.182 62.917 63.200 -0.167 0.000 0.768 279 S HN 0.365 nan 8.310 nan 0.000 0.520 280 R N 1.364 121.655 120.500 -0.349 0.000 2.276 280 R HA 0.150 4.490 4.340 0.000 0.000 0.203 280 R C 0.920 177.011 176.300 -0.349 0.000 1.017 280 R CA 0.147 56.036 56.100 -0.351 0.000 1.010 280 R CB -0.414 29.629 30.300 -0.428 0.000 0.900 280 R HN 0.521 nan 8.270 nan 0.000 0.469 281 Q N 1.024 120.458 119.800 -0.610 0.000 2.286 281 Q HA 0.134 4.474 4.340 0.000 0.000 0.257 281 Q C -0.531 175.186 176.000 -0.472 0.000 0.941 281 Q CA -0.276 54.886 55.803 -1.068 0.000 0.912 281 Q CB 0.756 28.750 28.738 -1.240 0.000 1.192 281 Q HN -0.134 nan 8.270 nan 0.000 0.410 282 M N 4.745 124.119 119.600 -0.376 0.000 2.194 282 M HA 0.082 4.562 4.480 0.000 0.000 0.347 282 M C 1.144 177.393 176.300 -0.085 0.000 1.439 282 M CA 0.444 55.639 55.300 -0.174 0.000 1.131 282 M CB 0.290 32.813 32.600 -0.128 0.000 1.733 282 M HN 0.689 nan 8.290 nan 0.000 0.467 283 R N 1.506 121.988 120.500 -0.029 0.000 2.117 283 R HA -0.203 4.137 4.340 0.000 0.000 0.243 283 R C 1.455 177.808 176.300 0.087 0.000 1.143 283 R CA 1.730 57.847 56.100 0.030 0.000 0.968 283 R CB -0.561 29.752 30.300 0.023 0.000 0.863 283 R HN 0.533 nan 8.270 nan 0.000 0.444 284 F N 1.896 121.833 119.950 -0.021 0.000 2.164 284 F HA 0.107 4.634 4.527 0.000 0.000 0.287 284 F C 1.787 177.760 175.800 0.289 0.000 1.086 284 F CA 1.090 59.108 58.000 0.031 0.000 1.249 284 F CB 0.082 39.073 39.000 -0.014 0.000 1.059 284 F HN -0.123 nan 8.300 nan 0.000 0.490 285 E N 0.254 120.514 120.200 0.100 0.000 2.150 285 E HA 0.098 4.448 4.350 0.000 0.000 0.193 285 E C 1.926 178.562 176.600 0.060 0.000 0.985 285 E CA 1.163 57.587 56.400 0.040 0.000 0.814 285 E CB -0.754 28.892 29.700 -0.089 0.000 0.752 285 E HN 0.566 nan 8.360 nan 0.000 0.466 286 G N -0.445 108.337 108.800 -0.030 0.000 2.241 286 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 286 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 286 G C 0.680 175.515 174.900 -0.108 0.000 0.998 286 G CA 0.088 45.178 45.100 -0.018 0.000 0.621 286 G HN 0.669 nan 8.290 nan 0.000 0.519 287 G N -0.736 107.855 108.800 -0.349 0.000 2.532 287 G HA2 0.630 4.590 3.960 0.000 0.000 0.291 287 G HA3 0.630 4.590 3.960 0.000 0.000 0.291 287 G C -0.579 174.163 174.900 -0.263 0.000 1.349 287 G CA -0.828 44.075 45.100 -0.328 0.000 1.038 287 G HN 0.274 nan 8.290 nan 0.000 0.518 288 F N -0.441 119.443 119.950 -0.110 0.000 2.492 288 F HA 0.405 4.932 4.527 0.000 0.000 0.327 288 F C 0.735 176.532 175.800 -0.006 0.000 1.079 288 F CA -0.639 57.313 58.000 -0.080 0.000 0.967 288 F CB 2.151 41.108 39.000 -0.072 0.000 1.169 288 F HN 0.519 nan 8.300 nan 0.000 0.472 289 Q N 0.655 120.482 119.800 0.047 0.000 2.193 289 Q HA 0.587 4.927 4.340 0.000 0.000 0.246 289 Q C 0.500 176.244 176.000 -0.428 0.000 0.959 289 Q CA -0.584 55.191 55.803 -0.047 0.000 0.904 289 Q CB 1.651 30.326 28.738 -0.105 0.000 1.238 289 Q HN 0.822 nan 8.270 nan 0.000 0.469 290 G N 1.034 109.384 108.800 -0.751 0.000 2.551 290 G HA2 0.049 4.009 3.960 0.000 0.000 0.216 290 G HA3 0.049 4.009 3.960 0.000 0.000 0.216 290 G C 0.100 174.482 174.900 -0.863 0.000 1.137 290 G CA 0.002 44.238 45.100 -1.440 0.000 0.798 290 G HN 0.661 nan 8.290 nan 0.000 0.536 291 R N -2.070 118.177 120.500 -0.422 0.000 2.692 291 R HA 0.423 4.763 4.340 0.000 0.000 0.269 291 R C -1.223 175.018 176.300 -0.098 0.000 1.030 291 R CA -0.952 55.058 56.100 -0.149 0.000 0.882 291 R CB 0.155 30.444 30.300 -0.019 0.000 1.250 291 R HN -0.037 nan 8.270 nan 0.000 0.465 292 C N 2.388 121.676 119.300 -0.021 0.000 2.538 292 C HA 0.040 4.500 4.460 0.000 0.000 0.408 292 C C 0.738 175.732 174.990 0.007 0.000 1.421 292 C CA 1.124 60.126 59.018 -0.027 0.000 1.642 292 C CB -1.337 26.427 27.740 0.039 0.000 2.553 292 C HN 0.984 nan 8.230 nan 0.000 0.604 293 N N 2.348 121.042 118.700 -0.011 0.000 2.782 293 N HA -0.141 4.599 4.740 0.000 0.000 0.251 293 N C -0.370 175.150 175.510 0.016 0.000 1.101 293 N CA 1.457 54.512 53.050 0.010 0.000 0.764 293 N CB -0.777 37.731 38.487 0.035 0.000 1.122 293 N HN 0.814 nan 8.380 nan 0.000 0.561 294 K N -0.264 120.138 120.400 0.004 0.000 2.307 294 K HA 0.589 4.909 4.320 0.000 0.000 0.239 294 K C 0.518 177.135 176.600 0.028 0.000 1.083 294 K CA -0.854 55.450 56.287 0.029 0.000 0.913 294 K CB 0.914 33.448 32.500 0.056 0.000 1.322 294 K HN -0.090 nan 8.250 nan 0.000 0.514 295 L N 1.228 122.490 121.223 0.064 0.000 2.418 295 L HA 0.258 4.598 4.340 0.000 0.000 0.265 295 L C 0.501 177.435 176.870 0.107 0.000 1.143 295 L CA -0.776 54.108 54.840 0.074 0.000 0.809 295 L CB 0.885 42.994 42.059 0.084 0.000 1.124 295 L HN 0.275 nan 8.230 nan 0.000 0.456 296 V N 1.503 121.456 119.914 0.064 0.000 2.963 296 V HA 0.119 4.239 4.120 0.000 0.000 0.306 296 V C -0.448 175.740 176.094 0.157 0.000 1.077 296 V CA 0.454 62.782 62.300 0.046 0.000 1.124 296 V CB 1.364 33.096 31.823 -0.152 0.000 0.987 296 V HN 0.907 nan 8.190 nan 0.000 0.487 297 D N 2.853 123.394 120.400 0.236 0.000 2.804 297 D HA 0.323 4.963 4.640 0.000 0.000 0.209 297 D C 0.710 177.163 176.300 0.255 0.000 1.314 297 D CA 0.195 54.334 54.000 0.230 0.000 0.894 297 D CB 1.601 42.482 40.800 0.135 0.000 1.615 297 D HN 0.619 nan 8.370 nan 0.000 0.571 298 G N 1.859 110.866 108.800 0.345 0.000 2.507 298 G HA2 -0.301 3.659 3.960 0.000 0.000 0.221 298 G HA3 -0.301 3.659 3.960 0.000 0.000 0.221 298 G C 1.763 176.789 174.900 0.209 0.000 1.119 298 G CA 1.401 46.712 45.100 0.351 0.000 0.751 298 G HN 0.756 nan 8.290 nan 0.000 0.574 299 C N -1.474 117.908 119.300 0.135 0.000 2.432 299 C HA 0.146 4.606 4.460 0.000 0.000 0.282 299 C C 2.325 177.286 174.990 -0.048 0.000 1.388 299 C CA 0.204 59.185 59.018 -0.061 0.000 1.777 299 C CB -1.589 26.044 27.740 -0.179 0.000 1.882 299 C HN 0.477 nan 8.230 nan 0.000 0.520 300 Y N 1.843 122.275 120.300 0.219 0.000 2.616 300 Y HA -0.035 4.515 4.550 0.000 0.000 0.296 300 Y C 2.708 178.573 175.900 -0.057 0.000 1.154 300 Y CA 0.535 58.724 58.100 0.148 0.000 1.325 300 Y CB -0.246 38.306 38.460 0.154 0.000 1.007 300 Y HN 0.326 nan 8.280 nan 0.000 0.542 301 S N -0.023 115.751 115.700 0.123 0.000 2.442 301 S HA -0.175 4.295 4.470 0.000 0.000 0.236 301 S C 1.443 175.973 174.600 -0.116 0.000 1.007 301 S CA 1.213 59.435 58.200 0.037 0.000 0.965 301 S CB -0.283 63.010 63.200 0.155 0.000 0.773 301 S HN 0.551 nan 8.310 nan 0.000 0.504 302 F N 0.076 119.872 119.950 -0.257 0.000 2.390 302 F HA 0.224 4.751 4.527 0.000 0.000 0.281 302 F C 1.535 177.087 175.800 -0.413 0.000 1.016 302 F CA -0.075 57.696 58.000 -0.381 0.000 1.286 302 F CB -0.689 38.024 39.000 -0.478 0.000 1.134 302 F HN 0.135 nan 8.300 nan 0.000 0.597 303 W N 1.120 122.242 121.300 -0.297 0.000 2.321 303 W HA -0.242 4.418 4.660 0.000 0.000 0.306 303 W C 2.408 178.749 176.519 -0.297 0.000 1.217 303 W CA 1.153 58.295 57.345 -0.338 0.000 1.257 303 W CB -0.498 28.972 29.460 0.017 0.000 1.145 303 W HN 0.102 nan 8.180 nan 0.000 0.509 304 Q N -0.223 119.478 119.800 -0.165 0.000 2.063 304 Q HA 0.024 4.364 4.340 0.000 0.000 0.194 304 Q C 2.474 177.997 176.000 -0.795 0.000 0.974 304 Q CA 1.520 57.050 55.803 -0.454 0.000 0.827 304 Q CB -1.389 26.946 28.738 -0.672 0.000 0.902 304 Q HN 0.269 nan 8.270 nan 0.000 0.462 305 A N 0.982 123.060 122.820 -1.236 0.000 1.978 305 A HA -0.099 4.221 4.320 0.000 0.000 0.220 305 A C 2.209 179.364 177.584 -0.715 0.000 1.170 305 A CA 1.769 53.060 52.037 -1.243 0.000 0.636 305 A CB -1.036 17.185 19.000 -1.298 0.000 0.810 305 A HN 0.456 nan 8.150 nan 0.000 0.448 306 G N -0.537 107.866 108.800 -0.662 0.000 2.498 306 G HA2 -0.082 3.878 3.960 0.000 0.000 0.219 306 G HA3 -0.082 3.878 3.960 0.000 0.000 0.219 306 G C 1.400 176.129 174.900 -0.284 0.000 1.119 306 G CA 0.829 45.583 45.100 -0.578 0.000 0.766 306 G HN 0.468 nan 8.290 nan 0.000 0.552 307 L N -0.035 121.055 121.223 -0.221 0.000 2.217 307 L HA 0.022 4.362 4.340 0.000 0.000 0.211 307 L C 2.600 179.411 176.870 -0.099 0.000 1.107 307 L CA -0.005 54.771 54.840 -0.107 0.000 0.783 307 L CB -0.211 41.827 42.059 -0.036 0.000 0.919 307 L HN 0.113 nan 8.230 nan 0.000 0.442 308 L N 0.102 121.251 121.223 -0.123 0.000 2.017 308 L HA -0.122 4.218 4.340 0.000 0.000 0.208 308 L C 0.084 176.900 176.870 -0.091 0.000 1.073 308 L CA 2.226 57.079 54.840 0.021 0.000 0.745 308 L CB -2.568 39.642 42.059 0.252 0.000 0.894 308 L HN 0.158 nan 8.230 nan 0.000 0.432 309 P HA -0.124 nan 4.420 nan 0.000 0.216 309 P C 2.272 179.471 177.300 -0.168 0.000 1.153 309 P CA 1.076 63.740 63.100 -0.725 0.000 0.848 309 P CB 0.084 31.194 31.700 -0.983 0.000 0.787 310 L N -1.569 119.569 121.223 -0.141 0.000 2.046 310 L HA -0.175 4.165 4.340 0.000 0.000 0.208 310 L C 2.443 179.321 176.870 0.012 0.000 1.077 310 L CA 1.389 56.190 54.840 -0.065 0.000 0.747 310 L CB -0.953 41.035 42.059 -0.119 0.000 0.896 310 L HN -0.018 nan 8.230 nan 0.000 0.432 311 L N -1.250 119.998 121.223 0.041 0.000 2.093 311 L HA -0.231 4.109 4.340 0.000 0.000 0.208 311 L C 2.598 179.564 176.870 0.160 0.000 1.085 311 L CA 1.023 55.917 54.840 0.090 0.000 0.755 311 L CB -0.511 41.611 42.059 0.104 0.000 0.904 311 L HN 0.284 nan 8.230 nan 0.000 0.435 312 H N 0.071 119.237 119.070 0.159 0.000 2.321 312 H HA -0.211 4.345 4.556 0.000 0.000 0.300 312 H C 2.467 177.924 175.328 0.214 0.000 1.087 312 H CA 2.021 58.227 56.048 0.263 0.000 1.319 312 H CB 0.143 30.192 29.762 0.478 0.000 1.379 312 H HN 0.095 nan 8.280 nan 0.000 0.501 313 R N 0.127 120.792 120.500 0.275 0.000 2.073 313 R HA -0.116 4.224 4.340 0.000 0.000 0.234 313 R C 2.347 178.734 176.300 0.144 0.000 1.134 313 R CA 1.327 57.531 56.100 0.174 0.000 0.952 313 R CB -0.444 29.918 30.300 0.102 0.000 0.850 313 R HN 0.373 nan 8.270 nan 0.000 0.433 314 A N 1.336 124.217 122.820 0.101 0.000 1.877 314 A HA -0.111 4.209 4.320 0.000 0.000 0.216 314 A C 2.268 179.894 177.584 0.070 0.000 1.186 314 A CA 1.319 53.399 52.037 0.072 0.000 0.620 314 A CB -0.594 18.430 19.000 0.042 0.000 0.822 314 A HN 0.371 nan 8.150 nan 0.000 0.443 315 L N -1.302 119.958 121.223 0.063 0.000 2.093 315 L HA -0.190 4.150 4.340 0.000 0.000 0.208 315 L C 2.727 179.616 176.870 0.031 0.000 1.085 315 L CA 1.502 56.361 54.840 0.031 0.000 0.755 315 L CB -0.676 41.389 42.059 0.010 0.000 0.904 315 L HN 0.622 nan 8.230 nan 0.000 0.435 316 H N 0.526 119.570 119.070 -0.044 0.000 2.423 316 H HA -0.115 4.441 4.556 0.000 0.000 0.297 316 H C 2.051 177.385 175.328 0.010 0.000 1.075 316 H CA 1.458 57.490 56.048 -0.026 0.000 1.342 316 H CB 0.379 30.144 29.762 0.004 0.000 1.395 316 H HN 0.313 nan 8.280 nan 0.000 0.530 317 A N 0.893 123.804 122.820 0.152 0.000 1.972 317 A HA -0.145 4.175 4.320 0.000 0.000 0.219 317 A C 2.186 179.776 177.584 0.010 0.000 1.169 317 A CA 1.298 53.393 52.037 0.097 0.000 0.635 317 A CB -0.367 18.693 19.000 0.100 0.000 0.810 317 A HN 0.594 nan 8.150 nan 0.000 0.446 318 Q N -1.086 118.713 119.800 -0.003 0.000 2.415 318 Q HA 0.277 4.617 4.340 0.000 0.000 0.206 318 Q C 0.882 176.852 176.000 -0.050 0.000 0.946 318 Q CA 0.227 56.020 55.803 -0.017 0.000 0.951 318 Q CB -0.030 28.706 28.738 -0.004 0.000 1.026 318 Q HN 0.816 nan 8.270 nan 0.000 0.510 319 G N 2.224 110.959 108.800 -0.108 0.000 2.221 319 G HA2 -0.255 3.705 3.960 0.000 0.000 0.265 319 G HA3 -0.255 3.705 3.960 0.000 0.000 0.265 319 G C -0.374 174.459 174.900 -0.112 0.000 1.041 319 G CA 0.233 45.244 45.100 -0.148 0.000 0.807 319 G HN 0.409 nan 8.290 nan 0.000 0.502 320 D N 0.512 120.855 120.400 -0.094 0.000 2.434 320 D HA 0.220 4.860 4.640 0.000 0.000 0.252 320 D C 0.224 176.490 176.300 -0.056 0.000 1.185 320 D CA -1.032 52.935 54.000 -0.054 0.000 0.886 320 D CB 1.164 41.943 40.800 -0.036 0.000 1.148 320 D HN 0.264 nan 8.370 nan 0.000 0.483 321 P HA 0.053 nan 4.420 nan 0.000 0.230 321 P C 0.663 177.966 177.300 0.004 0.000 1.168 321 P CA 0.181 63.271 63.100 -0.017 0.000 0.793 321 P CB 0.373 32.064 31.700 -0.015 0.000 0.851 322 A N -0.095 122.729 122.820 0.007 0.000 2.238 322 A HA 0.161 4.481 4.320 0.000 0.000 0.208 322 A C 1.246 178.852 177.584 0.036 0.000 1.177 322 A CA -0.149 51.899 52.037 0.019 0.000 0.804 322 A CB -0.966 18.045 19.000 0.018 0.000 0.823 322 A HN 0.140 nan 8.150 nan 0.000 0.482 323 L N 0.723 121.967 121.223 0.035 0.000 2.483 323 L HA 0.073 4.413 4.340 0.000 0.000 0.276 323 L C 1.228 178.187 176.870 0.148 0.000 1.213 323 L CA -0.244 54.637 54.840 0.068 0.000 0.843 323 L CB 0.613 42.632 42.059 -0.067 0.000 1.107 323 L HN 0.314 nan 8.230 nan 0.000 0.487 324 S N 2.522 118.347 115.700 0.208 0.000 2.589 324 S HA 0.229 4.699 4.470 0.000 0.000 0.265 324 S C 0.570 175.232 174.600 0.103 0.000 1.342 324 S CA -0.214 58.031 58.200 0.076 0.000 1.005 324 S CB 0.554 63.723 63.200 -0.053 0.000 0.909 324 S HN 0.626 nan 8.310 nan 0.000 0.555 325 M N 2.364 121.910 119.600 -0.090 0.000 2.502 325 M HA 0.166 4.646 4.480 0.000 0.000 0.351 325 M C 0.663 176.785 176.300 -0.297 0.000 1.118 325 M CA -0.194 55.101 55.300 -0.008 0.000 0.952 325 M CB 0.581 33.196 32.600 0.026 0.000 1.424 325 M HN 0.782 nan 8.290 nan 0.000 0.529 326 S N -2.356 112.755 115.700 -0.982 0.000 2.590 326 S HA 0.232 4.702 4.470 0.000 0.000 0.281 326 S C 0.168 173.557 174.600 -2.017 0.000 1.068 326 S CA -0.358 57.056 58.200 -1.310 0.000 1.193 326 S CB 0.491 63.026 63.200 -1.109 0.000 1.040 326 S HN 0.449 nan 8.310 nan 0.000 0.544 327 H N -0.905 117.239 119.070 -1.544 0.000 2.865 327 H HA 0.602 5.158 4.556 0.000 0.000 0.372 327 H C -1.289 173.569 175.328 -0.784 0.000 1.173 327 H CA -0.850 54.546 56.048 -1.087 0.000 1.147 327 H CB 0.854 30.287 29.762 -0.549 0.000 1.805 327 H HN 0.297 nan 8.280 nan 0.000 0.553 328 W N 1.379 122.611 121.300 -0.114 0.000 2.129 328 W HA 0.215 4.875 4.660 0.000 0.000 0.349 328 W C 0.539 177.062 176.519 0.006 0.000 1.279 328 W CA -0.684 56.693 57.345 0.054 0.000 1.306 328 W CB 0.543 30.070 29.460 0.112 0.000 1.140 328 W HN 0.326 nan 8.180 nan 0.000 0.613 329 M N 3.510 123.398 119.600 0.480 0.000 3.709 329 M HA 0.161 4.641 4.480 0.000 0.000 0.202 329 M C -1.208 175.331 176.300 0.399 0.000 1.360 329 M CA 0.219 55.714 55.300 0.325 0.000 1.600 329 M CB -0.951 31.833 32.600 0.308 0.000 1.061 329 M HN 0.312 nan 8.290 nan 0.000 0.575 330 F N -3.395 116.688 119.950 0.222 0.000 2.693 330 F HA 0.355 4.882 4.527 0.000 0.000 0.309 330 F C -0.902 174.985 175.800 0.146 0.000 1.129 330 F CA -1.472 56.660 58.000 0.220 0.000 0.948 330 F CB 0.848 40.084 39.000 0.394 0.000 1.315 330 F HN -0.001 nan 8.300 nan 0.000 0.447 331 H N 2.450 121.625 119.070 0.174 0.000 3.291 331 H HA 0.202 4.758 4.556 0.000 0.000 0.256 331 H C 0.963 176.269 175.328 -0.038 0.000 1.315 331 H CA 0.475 56.471 56.048 -0.085 0.000 1.521 331 H CB 0.777 30.442 29.762 -0.163 0.000 1.621 331 H HN 0.743 nan 8.280 nan 0.000 0.498 332 Q N 2.589 122.211 119.800 -0.298 0.000 2.096 332 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 332 Q C 2.100 178.171 176.000 0.119 0.000 0.982 332 Q CA 1.746 57.472 55.803 -0.128 0.000 0.850 332 Q CB 0.090 28.682 28.738 -0.243 0.000 0.901 332 Q HN 0.773 nan 8.270 nan 0.000 0.422 333 Q N 0.223 120.076 119.800 0.088 0.000 2.046 333 Q HA -0.173 4.167 4.340 0.000 0.000 0.200 333 Q C 2.061 178.134 176.000 0.122 0.000 0.975 333 Q CA 1.338 57.205 55.803 0.106 0.000 0.836 333 Q CB -0.174 28.596 28.738 0.053 0.000 0.896 333 Q HN 0.364 nan 8.270 nan 0.000 0.428 334 A N 0.907 123.788 122.820 0.102 0.000 1.908 334 A HA -0.195 4.125 4.320 0.000 0.000 0.218 334 A C 2.011 179.674 177.584 0.133 0.000 1.181 334 A CA 1.444 53.429 52.037 -0.086 0.000 0.627 334 A CB -0.816 17.936 19.000 -0.415 0.000 0.818 334 A HN 0.500 nan 8.150 nan 0.000 0.445 335 L N -0.124 121.255 121.223 0.260 0.000 2.017 335 L HA -0.199 4.141 4.340 0.000 0.000 0.208 335 L C 2.498 179.552 176.870 0.306 0.000 1.073 335 L CA 2.340 57.391 54.840 0.353 0.000 0.745 335 L CB -0.782 41.596 42.059 0.533 0.000 0.894 335 L HN 0.515 nan 8.230 nan 0.000 0.432 336 Q N -0.759 119.185 119.800 0.239 0.000 2.170 336 Q HA -0.227 4.113 4.340 0.000 0.000 0.203 336 Q C 2.074 178.152 176.000 0.129 0.000 0.976 336 Q CA 1.847 57.749 55.803 0.164 0.000 0.858 336 Q CB -0.133 28.672 28.738 0.112 0.000 0.907 336 Q HN 0.646 nan 8.270 nan 0.000 0.433 337 E N -0.226 120.048 120.200 0.122 0.000 2.072 337 E HA -0.200 4.150 4.350 0.000 0.000 0.191 337 E C 1.689 178.399 176.600 0.185 0.000 0.985 337 E CA 0.896 57.350 56.400 0.091 0.000 0.801 337 E CB -0.123 29.575 29.700 -0.002 0.000 0.750 337 E HN 0.337 nan 8.360 nan 0.000 0.452 338 Y N 1.508 121.895 120.300 0.146 0.000 2.145 338 Y HA -0.212 4.338 4.550 0.000 0.000 0.286 338 Y C 1.912 177.893 175.900 0.135 0.000 1.145 338 Y CA 1.444 59.652 58.100 0.181 0.000 1.148 338 Y CB -0.215 38.339 38.460 0.158 0.000 0.981 338 Y HN -0.061 nan 8.280 nan 0.000 0.507 339 I N -0.390 120.197 120.570 0.027 0.000 2.179 339 I HA -0.332 3.838 4.170 0.000 0.000 0.242 339 I C 2.348 178.425 176.117 -0.067 0.000 1.088 339 I CA 1.440 62.700 61.300 -0.066 0.000 1.357 339 I CB -0.486 37.560 38.000 0.077 0.000 1.051 339 I HN 0.239 nan 8.210 nan 0.000 0.409 340 L N -0.421 120.808 121.223 0.010 0.000 2.056 340 L HA -0.178 4.162 4.340 0.000 0.000 0.207 340 L C 2.537 179.428 176.870 0.034 0.000 1.078 340 L CA 1.419 56.277 54.840 0.030 0.000 0.749 340 L CB -0.311 41.776 42.059 0.047 0.000 0.901 340 L HN 0.274 nan 8.230 nan 0.000 0.433 341 M N -1.908 117.723 119.600 0.052 0.000 2.357 341 M HA -0.084 4.396 4.480 0.000 0.000 0.266 341 M C 2.024 178.321 176.300 -0.004 0.000 1.095 341 M CA 0.961 56.324 55.300 0.105 0.000 1.156 341 M CB 0.020 32.777 32.600 0.262 0.000 1.365 341 M HN 0.334 nan 8.290 nan 0.000 0.447 342 C N -1.477 117.732 119.300 -0.152 0.000 2.791 342 C HA 0.125 4.585 4.460 0.000 0.000 0.288 342 C C 2.062 176.865 174.990 -0.313 0.000 1.271 342 C CA -0.411 58.438 59.018 -0.281 0.000 1.726 342 C CB -0.478 26.980 27.740 -0.469 0.000 2.145 342 C HN 0.573 nan 8.230 nan 0.000 0.572 343 C N 1.015 120.121 119.300 -0.323 0.000 2.855 343 C HA 0.186 4.646 4.460 0.000 0.000 0.279 343 C C 0.669 175.584 174.990 -0.126 0.000 1.270 343 C CA -0.180 58.700 59.018 -0.230 0.000 1.702 343 C CB -1.831 25.770 27.740 -0.231 0.000 1.949 343 C HN 0.618 nan 8.230 nan 0.000 0.618 344 Q N 0.174 119.929 119.800 -0.076 0.000 2.256 344 Q HA 0.355 4.695 4.340 0.000 0.000 0.257 344 Q C -0.477 175.511 176.000 -0.021 0.000 0.936 344 Q CA -0.137 55.667 55.803 0.002 0.000 0.903 344 Q CB 1.749 30.543 28.738 0.094 0.000 1.263 344 Q HN 0.428 nan 8.270 nan 0.000 0.440 345 C N 4.423 123.710 119.300 -0.022 0.000 2.415 345 C HA 0.297 4.757 4.460 0.000 0.000 0.369 345 C C -1.279 173.681 174.990 -0.051 0.000 1.279 345 C CA -1.870 57.105 59.018 -0.071 0.000 1.886 345 C CB 0.014 27.666 27.740 -0.145 0.000 2.468 345 C HN 0.742 nan 8.230 nan 0.000 0.553 346 P HA -0.125 nan 4.420 nan 0.000 0.216 346 P C 1.174 178.430 177.300 -0.074 0.000 1.154 346 P CA 2.199 65.263 63.100 -0.061 0.000 0.865 346 P CB 0.068 31.735 31.700 -0.056 0.000 0.789 347 A N -1.244 121.529 122.820 -0.078 0.000 2.235 347 A HA 0.430 4.750 4.320 0.000 0.000 0.208 347 A C 1.013 178.549 177.584 -0.080 0.000 1.172 347 A CA 0.787 52.780 52.037 -0.074 0.000 0.786 347 A CB -1.174 17.786 19.000 -0.066 0.000 0.804 347 A HN 0.337 nan 8.150 nan 0.000 0.479 348 G N -2.650 106.094 108.800 -0.093 0.000 2.784 348 G HA2 0.540 4.500 3.960 0.000 0.000 0.686 348 G HA3 0.540 4.500 3.960 0.000 0.000 0.686 348 G C 0.387 175.167 174.900 -0.200 0.000 1.156 348 G CA -0.239 44.846 45.100 -0.024 0.000 0.757 348 G HN 2.458 nan 8.290 nan 0.000 0.642 349 G N -0.843 108.045 108.800 0.147 0.000 2.619 349 G HA2 0.404 4.364 3.960 0.000 0.000 0.686 349 G HA3 0.404 4.364 3.960 0.000 0.000 0.686 349 G C -0.707 174.069 174.900 -0.206 0.000 1.256 349 G CA 0.048 44.968 45.100 -0.300 0.000 0.826 349 G HN 1.678 nan 8.290 nan 0.000 0.619 350 L N -0.172 120.930 121.223 -0.202 0.000 2.256 350 L HA 0.993 5.333 4.340 0.000 0.000 0.261 350 L C 0.316 177.126 176.870 -0.101 0.000 1.022 350 L CA -0.919 53.830 54.840 -0.152 0.000 0.828 350 L CB 1.841 43.798 42.059 -0.170 0.000 1.374 350 L HN 1.127 nan 8.230 nan 0.000 0.436 351 L N -3.310 117.845 121.223 -0.113 0.000 2.630 351 L HA 0.671 5.011 4.340 0.000 0.000 0.258 351 L C 0.303 177.009 176.870 -0.274 0.000 1.072 351 L CA -0.695 54.017 54.840 -0.214 0.000 0.885 351 L CB 0.393 42.322 42.059 -0.216 0.000 1.502 351 L HN 0.431 nan 8.230 nan 0.000 0.406 352 D N 0.407 120.448 120.400 -0.598 0.000 2.137 352 D HA -0.121 4.519 4.640 0.000 0.000 0.193 352 D C 0.061 176.347 176.300 -0.023 0.000 0.993 352 D CA 2.558 56.353 54.000 -0.342 0.000 0.846 352 D CB 0.287 40.855 40.800 -0.387 0.000 0.990 352 D HN 0.740 nan 8.370 nan 0.000 0.448 353 K N -1.888 118.487 120.400 -0.040 0.000 2.548 353 K HA 0.551 4.871 4.320 0.000 0.000 0.282 353 K C -2.987 173.594 176.600 -0.032 0.000 1.006 353 K CA -1.858 54.459 56.287 0.050 0.000 0.892 353 K CB 1.562 34.140 32.500 0.129 0.000 1.499 353 K HN -0.255 nan 8.250 nan 0.000 0.433 354 P HA -0.005 nan 4.420 nan 0.000 0.262 354 P C 0.488 177.763 177.300 -0.042 0.000 1.182 354 P CA 1.718 64.785 63.100 -0.055 0.000 0.761 354 P CB 0.465 32.132 31.700 -0.054 0.000 0.795 355 G N 1.449 110.217 108.800 -0.053 0.000 2.232 355 G HA2 -0.178 3.782 3.960 0.000 0.000 0.226 355 G HA3 -0.178 3.782 3.960 0.000 0.000 0.226 355 G C 0.209 175.077 174.900 -0.052 0.000 0.996 355 G CA -0.290 44.783 45.100 -0.044 0.000 0.626 355 G HN 0.469 nan 8.290 nan 0.000 0.509 356 K N 1.063 121.420 120.400 -0.071 0.000 2.090 356 K HA 0.693 5.013 4.320 0.000 0.000 0.249 356 K C 0.376 176.915 176.600 -0.101 0.000 0.995 356 K CA -0.322 55.912 56.287 -0.089 0.000 0.914 356 K CB 1.211 33.635 32.500 -0.127 0.000 1.057 356 K HN 0.160 nan 8.250 nan 0.000 0.462 357 S N 1.052 116.695 115.700 -0.095 0.000 2.586 357 S HA 0.228 4.698 4.470 0.000 0.000 0.274 357 S C 0.269 174.803 174.600 -0.109 0.000 1.281 357 S CA -0.727 57.419 58.200 -0.089 0.000 1.035 357 S CB 0.778 63.940 63.200 -0.063 0.000 0.962 357 S HN 0.479 nan 8.310 nan 0.000 0.512 358 R N 1.000 121.428 120.500 -0.120 0.000 2.679 358 R HA 0.503 4.843 4.340 0.000 0.000 0.269 358 R C -1.012 175.254 176.300 -0.057 0.000 1.076 358 R CA -0.448 55.565 56.100 -0.146 0.000 1.160 358 R CB -0.074 30.051 30.300 -0.292 0.000 1.054 358 R HN 0.729 nan 8.270 nan 0.000 0.507 359 D N -0.413 119.987 120.400 0.001 0.000 2.683 359 D HA 0.108 4.748 4.640 0.000 0.000 0.246 359 D C -0.401 175.935 176.300 0.060 0.000 1.238 359 D CA -0.822 53.230 54.000 0.087 0.000 0.759 359 D CB 0.112 41.024 40.800 0.186 0.000 1.349 359 D HN 0.386 nan 8.370 nan 0.000 0.426 360 F N -0.656 119.519 119.950 0.374 0.000 2.293 360 F HA -0.048 4.479 4.527 0.000 0.000 0.300 360 F C 1.926 177.685 175.800 -0.067 0.000 1.086 360 F CA 0.613 58.733 58.000 0.201 0.000 1.375 360 F CB -0.354 38.780 39.000 0.223 0.000 1.045 360 F HN 0.481 nan 8.300 nan 0.000 0.516 361 Y N 0.449 120.543 120.300 -0.345 0.000 2.133 361 Y HA -0.255 4.295 4.550 0.000 0.000 0.287 361 Y C 2.433 178.046 175.900 -0.479 0.000 1.134 361 Y CA 1.973 59.461 58.100 -1.020 0.000 1.133 361 Y CB -0.853 36.955 38.460 -1.086 0.000 0.987 361 Y HN 0.034 nan 8.280 nan 0.000 0.502 362 H N -1.066 117.911 119.070 -0.155 0.000 2.423 362 H HA -0.081 4.475 4.556 0.000 0.000 0.297 362 H C 2.154 177.363 175.328 -0.198 0.000 1.075 362 H CA 1.887 57.833 56.048 -0.170 0.000 1.342 362 H CB -0.248 29.503 29.762 -0.018 0.000 1.395 362 H HN 0.310 nan 8.280 nan 0.000 0.530 363 T N -0.480 114.046 114.554 -0.045 0.000 2.746 363 T HA -0.242 4.108 4.350 0.000 0.000 0.267 363 T C 2.359 176.947 174.700 -0.188 0.000 1.039 363 T CA 1.309 63.362 62.100 -0.079 0.000 1.142 363 T CB -0.695 68.219 68.868 0.076 0.000 0.866 363 T HN 0.576 nan 8.240 nan 0.000 0.444 364 C N 0.697 119.824 119.300 -0.288 0.000 2.436 364 C HA -0.107 4.353 4.460 0.000 0.000 0.277 364 C C 2.352 176.965 174.990 -0.627 0.000 1.241 364 C CA 0.560 59.295 59.018 -0.470 0.000 1.721 364 C CB -1.466 25.910 27.740 -0.608 0.000 2.043 364 C HN 0.648 nan 8.230 nan 0.000 0.472 365 Y N -0.186 119.829 120.300 -0.474 0.000 2.395 365 Y HA -0.004 4.546 4.550 0.000 0.000 0.293 365 Y C 2.869 178.613 175.900 -0.261 0.000 1.123 365 Y CA 1.274 59.082 58.100 -0.487 0.000 1.227 365 Y CB -0.592 37.413 38.460 -0.758 0.000 1.012 365 Y HN 0.396 nan 8.280 nan 0.000 0.552 366 C N -0.113 119.134 119.300 -0.089 0.000 2.446 366 C HA -0.132 4.328 4.460 0.000 0.000 0.277 366 C C 2.672 177.640 174.990 -0.036 0.000 1.275 366 C CA 0.878 59.886 59.018 -0.017 0.000 1.727 366 C CB -1.166 26.558 27.740 -0.027 0.000 2.010 366 C HN 0.530 nan 8.230 nan 0.000 0.486 367 L N 0.321 121.476 121.223 -0.113 0.000 2.056 367 L HA -0.118 4.222 4.340 0.000 0.000 0.207 367 L C 2.655 179.485 176.870 -0.066 0.000 1.078 367 L CA 1.342 56.117 54.840 -0.107 0.000 0.749 367 L CB -0.674 41.278 42.059 -0.178 0.000 0.901 367 L HN 0.303 nan 8.230 nan 0.000 0.433 368 S N 0.157 115.793 115.700 -0.106 0.000 2.356 368 S HA -0.145 4.325 4.470 0.000 0.000 0.223 368 S C 2.014 176.721 174.600 0.178 0.000 1.032 368 S CA 1.343 59.542 58.200 -0.001 0.000 1.005 368 S CB -0.646 62.417 63.200 -0.229 0.000 0.867 368 S HN 0.608 nan 8.310 nan 0.000 0.449 369 G N 1.476 110.375 108.800 0.165 0.000 2.408 369 G HA2 -0.140 3.820 3.960 0.000 0.000 0.217 369 G HA3 -0.140 3.820 3.960 0.000 0.000 0.217 369 G C 1.383 176.387 174.900 0.173 0.000 1.150 369 G CA 0.757 45.958 45.100 0.168 0.000 0.776 369 G HN 0.404 nan 8.290 nan 0.000 0.542 370 L N 1.103 122.406 121.223 0.134 0.000 2.017 370 L HA 0.020 4.360 4.340 0.000 0.000 0.208 370 L C 2.891 179.844 176.870 0.138 0.000 1.073 370 L CA 2.457 57.375 54.840 0.130 0.000 0.745 370 L CB -0.878 41.226 42.059 0.075 0.000 0.894 370 L HN 0.227 nan 8.230 nan 0.000 0.432 371 S N -0.564 115.223 115.700 0.145 0.000 2.359 371 S HA -0.207 4.263 4.470 0.000 0.000 0.224 371 S C 2.099 176.874 174.600 0.292 0.000 1.035 371 S CA 1.818 60.143 58.200 0.209 0.000 1.018 371 S CB -0.479 62.858 63.200 0.228 0.000 0.876 371 S HN 0.491 nan 8.310 nan 0.000 0.448 372 I N 1.533 122.284 120.570 0.301 0.000 2.208 372 I HA -0.205 3.965 4.170 0.000 0.000 0.245 372 I C 2.766 179.183 176.117 0.501 0.000 1.097 372 I CA 1.263 62.773 61.300 0.350 0.000 1.363 372 I CB -0.562 37.554 38.000 0.194 0.000 1.051 372 I HN 0.419 nan 8.210 nan 0.000 0.413 373 A N -0.172 122.916 122.820 0.447 0.000 2.015 373 A HA -0.212 4.108 4.320 0.000 0.000 0.219 373 A C 2.204 179.939 177.584 0.252 0.000 1.163 373 A CA 1.334 53.671 52.037 0.500 0.000 0.646 373 A CB -0.386 18.885 19.000 0.451 0.000 0.806 373 A HN 0.499 nan 8.150 nan 0.000 0.448 374 Q N -0.986 118.871 119.800 0.095 0.000 2.163 374 Q HA 0.000 4.340 4.340 0.000 0.000 0.198 374 Q C -0.153 175.692 176.000 -0.257 0.000 0.954 374 Q CA 0.582 56.273 55.803 -0.187 0.000 0.851 374 Q CB 0.103 28.568 28.738 -0.453 0.000 0.928 374 Q HN 0.723 nan 8.270 nan 0.000 0.459 375 H N -0.610 118.592 119.070 0.219 0.000 2.551 375 H HA 0.213 4.769 4.556 0.000 0.000 0.321 375 H C -1.338 174.146 175.328 0.261 0.000 1.028 375 H CA -0.546 55.611 56.048 0.182 0.000 1.215 375 H CB 0.519 30.380 29.762 0.166 0.000 1.414 375 H HN 0.033 nan 8.280 nan 0.000 0.480 376 F N 1.963 121.852 119.950 -0.102 0.000 2.458 376 F HA 0.636 5.163 4.527 0.000 0.000 0.330 376 F C -0.171 175.414 175.800 -0.357 0.000 1.082 376 F CA -0.383 57.219 58.000 -0.664 0.000 0.995 376 F CB 1.949 40.357 39.000 -0.986 0.000 1.170 376 F HN 0.593 nan 8.300 nan 0.000 0.478 377 G N 2.119 109.900 108.800 -1.699 0.000 2.715 377 G HA2 0.454 4.414 3.960 0.000 0.000 0.297 377 G HA3 0.454 4.414 3.960 0.000 0.000 0.297 377 G C -2.038 172.292 174.900 -0.949 0.000 1.386 377 G CA -0.659 43.837 45.100 -1.007 0.000 1.157 377 G HN 0.799 nan 8.290 nan 0.000 0.585 378 S N 1.338 116.632 115.700 -0.676 0.000 2.609 378 S HA 0.647 5.117 4.470 0.000 0.000 0.250 378 S C 0.883 175.372 174.600 -0.184 0.000 1.112 378 S CA 0.985 58.983 58.200 -0.336 0.000 1.102 378 S CB 0.121 63.248 63.200 -0.121 0.000 1.124 378 S HN 2.692 nan 8.310 nan 0.000 0.460 379 G N 4.094 112.792 108.800 -0.171 0.000 2.543 379 G HA2 -0.209 3.751 3.960 0.000 0.000 0.286 379 G HA3 -0.209 3.751 3.960 0.000 0.000 0.286 379 G C 1.019 175.897 174.900 -0.037 0.000 1.153 379 G CA 0.236 45.292 45.100 -0.072 0.000 0.968 379 G HN 1.786 nan 8.290 nan 0.000 0.544 380 A N -0.337 122.485 122.820 0.002 0.000 2.218 380 A HA 0.558 4.878 4.320 0.000 0.000 0.209 380 A C 1.306 178.891 177.584 0.002 0.000 1.168 380 A CA 1.392 53.433 52.037 0.006 0.000 0.804 380 A CB -0.156 18.858 19.000 0.024 0.000 0.834 380 A HN 0.539 nan 8.150 nan 0.000 0.482 381 M N 1.184 120.784 119.600 0.001 0.000 2.180 381 M HA 0.435 4.915 4.480 0.000 0.000 0.358 381 M C -0.954 175.333 176.300 -0.023 0.000 1.233 381 M CA -0.040 55.277 55.300 0.028 0.000 1.114 381 M CB 0.791 33.461 32.600 0.117 0.000 1.594 381 M HN -0.020 nan 8.290 nan 0.000 0.467 382 L N 3.140 124.382 121.223 0.033 0.000 2.408 382 L HA 0.522 4.862 4.340 0.000 0.000 0.268 382 L C -1.080 175.886 176.870 0.159 0.000 0.986 382 L CA -0.306 54.553 54.840 0.032 0.000 0.820 382 L CB 1.861 43.924 42.059 0.007 0.000 1.303 382 L HN 0.786 nan 8.230 nan 0.000 0.411 383 H N 1.001 120.097 119.070 0.043 0.000 3.137 383 H HA 0.483 5.039 4.556 0.000 0.000 0.336 383 H C -1.589 173.726 175.328 -0.022 0.000 1.055 383 H CA -0.409 55.623 56.048 -0.025 0.000 1.349 383 H CB 1.347 31.017 29.762 -0.153 0.000 1.939 383 H HN 0.478 nan 8.280 nan 0.000 0.487 384 D N 3.030 123.173 120.400 -0.428 0.000 2.228 384 D HA 0.497 5.137 4.640 0.000 0.000 0.247 384 D C -0.575 175.447 176.300 -0.463 0.000 0.995 384 D CA -0.412 53.403 54.000 -0.308 0.000 0.903 384 D CB 2.418 43.157 40.800 -0.101 0.000 1.205 384 D HN 0.231 nan 8.370 nan 0.000 0.459 385 V N 1.800 121.550 119.914 -0.273 0.000 2.445 385 V HA 0.255 4.375 4.120 0.000 0.000 0.283 385 V C -0.580 175.439 176.094 -0.125 0.000 1.014 385 V CA -0.733 61.461 62.300 -0.177 0.000 0.852 385 V CB 1.727 33.498 31.823 -0.087 0.000 1.021 385 V HN 0.290 nan 8.190 nan 0.000 0.435 386 V N 5.591 125.443 119.914 -0.104 0.000 2.304 386 V HA 0.450 4.570 4.120 0.000 0.000 0.278 386 V C 0.240 176.308 176.094 -0.045 0.000 1.018 386 V CA -0.504 61.751 62.300 -0.075 0.000 0.814 386 V CB 1.406 33.188 31.823 -0.068 0.000 1.021 386 V HN 0.697 nan 8.190 nan 0.000 0.440 387 M N 3.058 122.641 119.600 -0.028 0.000 2.242 387 M HA 0.552 5.032 4.480 0.000 0.000 0.344 387 M C 1.070 177.358 176.300 -0.020 0.000 1.140 387 M CA 0.933 56.220 55.300 -0.022 0.000 1.160 387 M CB 0.535 33.129 32.600 -0.010 0.000 1.491 387 M HN 0.933 nan 8.290 nan 0.000 0.459 388 G N 1.097 109.880 108.800 -0.029 0.000 2.593 388 G HA2 -0.143 3.817 3.960 0.000 0.000 0.237 388 G HA3 -0.143 3.817 3.960 0.000 0.000 0.237 388 G C -0.372 174.516 174.900 -0.019 0.000 1.312 388 G CA -0.336 44.749 45.100 -0.025 0.000 0.896 388 G HN 1.174 nan 8.290 nan 0.000 0.574 389 V N -0.906 119.001 119.914 -0.011 0.000 2.715 389 V HA 0.500 4.620 4.120 0.000 0.000 0.299 389 V C 0.031 176.121 176.094 -0.007 0.000 1.054 389 V CA -0.015 62.279 62.300 -0.009 0.000 1.077 389 V CB 1.039 32.859 31.823 -0.004 0.000 0.972 389 V HN 0.814 nan 8.190 nan 0.000 0.484 390 P HA -0.171 nan 4.420 nan 0.000 0.220 390 P C 0.903 178.204 177.300 0.001 0.000 1.144 390 P CA 1.421 64.517 63.100 -0.007 0.000 0.800 390 P CB 0.282 31.977 31.700 -0.007 0.000 0.772 391 E N -0.247 119.954 120.200 0.002 0.000 2.515 391 E HA -0.074 4.276 4.350 0.000 0.000 0.201 391 E C 1.552 178.160 176.600 0.014 0.000 1.071 391 E CA 0.502 56.906 56.400 0.005 0.000 0.880 391 E CB -1.181 28.520 29.700 0.001 0.000 0.828 391 E HN 0.500 nan 8.360 nan 0.000 0.540 392 N N -0.186 118.521 118.700 0.012 0.000 2.457 392 N HA -0.042 4.698 4.740 0.000 0.000 0.180 392 N C 0.243 175.765 175.510 0.020 0.000 1.050 392 N CA -0.134 52.927 53.050 0.019 0.000 0.906 392 N CB 0.440 38.934 38.487 0.012 0.000 0.968 392 N HN 0.018 nan 8.380 nan 0.000 0.445 393 V N 2.496 122.421 119.914 0.018 0.000 2.599 393 V HA 0.082 4.202 4.120 0.000 0.000 0.300 393 V C -0.140 176.004 176.094 0.084 0.000 1.034 393 V CA 0.171 62.492 62.300 0.035 0.000 1.115 393 V CB 0.107 31.965 31.823 0.059 0.000 0.934 393 V HN 0.059 nan 8.190 nan 0.000 0.485 394 L N 5.741 127.043 121.223 0.132 0.000 2.332 394 L HA 0.544 4.884 4.340 0.000 0.000 0.269 394 L C 0.068 177.081 176.870 0.239 0.000 1.016 394 L CA -1.036 53.890 54.840 0.143 0.000 0.809 394 L CB 1.420 43.539 42.059 0.100 0.000 1.280 394 L HN 0.495 nan 8.230 nan 0.000 0.447 395 Q N 2.156 122.022 119.800 0.111 0.000 2.392 395 Q HA 0.193 4.533 4.340 0.000 0.000 0.262 395 Q C -2.193 173.854 176.000 0.079 0.000 1.003 395 Q CA -1.473 54.365 55.803 0.058 0.000 0.888 395 Q CB 0.393 29.144 28.738 0.023 0.000 1.260 395 Q HN 0.266 nan 8.270 nan 0.000 0.435 396 P HA 0.042 nan 4.420 nan 0.000 0.272 396 P C -0.438 176.945 177.300 0.139 0.000 1.230 396 P CA -0.111 63.000 63.100 0.018 0.000 0.788 396 P CB 0.865 32.469 31.700 -0.159 0.000 0.949 397 T N 0.072 114.756 114.554 0.217 0.000 2.876 397 T HA 0.185 4.535 4.350 0.000 0.000 0.289 397 T C -0.768 174.113 174.700 0.301 0.000 1.014 397 T CA -0.518 61.753 62.100 0.285 0.000 0.986 397 T CB 0.387 69.454 68.868 0.333 0.000 1.021 397 T HN 0.386 nan 8.240 nan 0.000 0.458 398 H N 6.059 125.284 119.070 0.259 0.000 2.819 398 H HA 0.226 4.782 4.556 0.000 0.000 0.303 398 H C -1.553 173.974 175.328 0.331 0.000 1.058 398 H CA -1.700 54.512 56.048 0.273 0.000 1.471 398 H CB 1.832 31.782 29.762 0.313 0.000 1.480 398 H HN 0.445 nan 8.280 nan 0.000 0.517 399 P HA -0.155 nan 4.420 nan 0.000 0.219 399 P C 1.375 178.958 177.300 0.471 0.000 1.146 399 P CA 0.646 63.900 63.100 0.257 0.000 0.808 399 P CB 0.609 32.292 31.700 -0.028 0.000 0.779 400 V N -1.513 118.710 119.914 0.515 0.000 2.331 400 V HA -0.138 3.982 4.120 0.000 0.000 0.242 400 V C 2.336 178.662 176.094 0.387 0.000 1.034 400 V CA 1.618 64.102 62.300 0.306 0.000 1.027 400 V CB -1.212 30.594 31.823 -0.028 0.000 0.667 400 V HN -0.022 nan 8.190 nan 0.000 0.457 401 Y N -0.707 119.954 120.300 0.602 0.000 2.503 401 Y HA 0.249 4.799 4.550 0.000 0.000 0.278 401 Y C 1.377 177.514 175.900 0.396 0.000 1.111 401 Y CA 0.314 58.678 58.100 0.441 0.000 1.270 401 Y CB 0.008 38.534 38.460 0.111 0.000 1.063 401 Y HN 0.381 nan 8.280 nan 0.000 0.548 402 N N 0.935 119.944 118.700 0.515 0.000 2.746 402 N HA -0.191 4.549 4.740 0.000 0.000 0.250 402 N C -0.988 174.463 175.510 -0.099 0.000 1.055 402 N CA 0.905 54.061 53.050 0.177 0.000 0.699 402 N CB -1.459 36.930 38.487 -0.162 0.000 0.919 402 N HN 0.627 nan 8.380 nan 0.000 0.548 403 I N -3.982 116.668 120.570 0.133 0.000 3.102 403 I HA 0.728 4.898 4.170 0.000 0.000 0.310 403 I C 0.927 177.194 176.117 0.250 0.000 1.246 403 I CA -0.974 60.398 61.300 0.121 0.000 0.979 403 I CB 1.588 39.638 38.000 0.083 0.000 1.267 403 I HN 0.037 nan 8.210 nan 0.000 0.451 404 G N 2.872 111.812 108.800 0.234 0.000 2.287 404 G HA2 0.234 4.194 3.960 0.000 0.000 0.235 404 G HA3 0.234 4.194 3.960 0.000 0.000 0.235 404 G C -1.972 173.042 174.900 0.189 0.000 1.258 404 G CA -0.570 44.646 45.100 0.193 0.000 0.884 404 G HN 0.621 nan 8.290 nan 0.000 0.518 405 P HA -0.134 nan 4.420 nan 0.000 0.216 405 P C 1.621 179.011 177.300 0.150 0.000 1.150 405 P CA 1.550 64.803 63.100 0.254 0.000 0.843 405 P CB 0.184 32.010 31.700 0.210 0.000 0.787 406 D N -0.371 120.090 120.400 0.103 0.000 2.144 406 D HA -0.182 4.458 4.640 0.000 0.000 0.199 406 D C 1.423 177.759 176.300 0.060 0.000 0.984 406 D CA 1.309 55.351 54.000 0.070 0.000 0.834 406 D CB -0.722 40.109 40.800 0.052 0.000 0.955 406 D HN 0.092 nan 8.370 nan 0.000 0.465 407 K N 0.692 121.129 120.400 0.063 0.000 2.148 407 K HA 0.004 4.324 4.320 0.000 0.000 0.204 407 K C 2.447 179.052 176.600 0.009 0.000 1.050 407 K CA 0.261 56.579 56.287 0.051 0.000 0.942 407 K CB -0.560 31.973 32.500 0.054 0.000 0.724 407 K HN 0.195 nan 8.250 nan 0.000 0.446 408 V N 1.848 121.745 119.914 -0.029 0.000 2.270 408 V HA -0.203 3.917 4.120 0.000 0.000 0.245 408 V C 2.387 178.427 176.094 -0.090 0.000 1.043 408 V CA 1.453 63.656 62.300 -0.161 0.000 1.014 408 V CB -0.385 31.296 31.823 -0.237 0.000 0.645 408 V HN 0.154 nan 8.190 nan 0.000 0.447 409 I N -0.225 120.341 120.570 -0.008 0.000 2.163 409 I HA -0.333 3.837 4.170 0.000 0.000 0.243 409 I C 2.685 178.806 176.117 0.007 0.000 1.085 409 I CA 2.020 63.328 61.300 0.013 0.000 1.347 409 I CB -0.417 37.609 38.000 0.043 0.000 1.044 409 I HN 0.406 nan 8.210 nan 0.000 0.408 410 Q N 0.989 120.804 119.800 0.025 0.000 2.050 410 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 410 Q C 2.315 178.311 176.000 -0.006 0.000 0.980 410 Q CA 2.070 57.898 55.803 0.043 0.000 0.840 410 Q CB -0.093 28.701 28.738 0.092 0.000 0.898 410 Q HN 0.549 nan 8.270 nan 0.000 0.424 411 A N 0.364 123.180 122.820 -0.007 0.000 1.873 411 A HA -0.191 4.129 4.320 0.000 0.000 0.215 411 A C 2.305 179.870 177.584 -0.032 0.000 1.186 411 A CA 2.140 54.107 52.037 -0.117 0.000 0.616 411 A CB -1.277 17.758 19.000 0.059 0.000 0.823 411 A HN 0.687 nan 8.150 nan 0.000 0.442 412 T N -3.059 111.485 114.554 -0.016 0.000 2.708 412 T HA -0.156 4.194 4.350 0.000 0.000 0.266 412 T C 1.822 176.523 174.700 0.002 0.000 1.037 412 T CA 2.173 64.282 62.100 0.014 0.000 1.146 412 T CB -1.205 67.648 68.868 -0.026 0.000 0.865 412 T HN 0.299 nan 8.240 nan 0.000 0.435 413 T N 0.771 115.310 114.554 -0.025 0.000 2.759 413 T HA -0.136 4.214 4.350 0.000 0.000 0.269 413 T C 1.694 176.339 174.700 -0.092 0.000 1.042 413 T CA 1.862 63.940 62.100 -0.037 0.000 1.140 413 T CB -0.579 68.278 68.868 -0.019 0.000 0.864 413 T HN 0.778 nan 8.240 nan 0.000 0.455 414 H N 0.245 119.147 119.070 -0.280 0.000 2.276 414 H HA 0.006 4.562 4.556 0.000 0.000 0.301 414 H C 1.707 176.763 175.328 -0.453 0.000 1.073 414 H CA 1.620 57.385 56.048 -0.472 0.000 1.311 414 H CB -0.534 28.643 29.762 -0.973 0.000 1.379 414 H HN 0.409 nan 8.280 nan 0.000 0.494 415 F N -0.059 119.750 119.950 -0.234 0.000 2.451 415 F HA -0.031 4.496 4.527 0.000 0.000 0.299 415 F C 2.048 177.745 175.800 -0.172 0.000 1.101 415 F CA 0.338 58.215 58.000 -0.205 0.000 1.436 415 F CB -0.021 38.911 39.000 -0.112 0.000 1.074 415 F HN 0.169 nan 8.300 nan 0.000 0.553 416 L N -0.387 120.827 121.223 -0.014 0.000 2.478 416 L HA -0.140 4.200 4.340 0.000 0.000 0.223 416 L C 2.047 178.876 176.870 -0.068 0.000 1.140 416 L CA 0.710 55.537 54.840 -0.022 0.000 0.842 416 L CB -0.422 41.627 42.059 -0.017 0.000 0.953 416 L HN 0.233 nan 8.230 nan 0.000 0.452 417 Q N -0.158 119.552 119.800 -0.150 0.000 2.172 417 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 417 Q C 0.262 176.191 176.000 -0.119 0.000 0.964 417 Q CA 0.876 56.582 55.803 -0.161 0.000 0.855 417 Q CB 0.137 28.709 28.738 -0.277 0.000 0.918 417 Q HN 0.223 nan 8.270 nan 0.000 0.444 418 K N 1.274 121.610 120.400 -0.107 0.000 2.098 418 K HA 0.238 4.558 4.320 0.000 0.000 0.261 418 K C -2.352 174.239 176.600 -0.016 0.000 0.987 418 K CA -2.141 54.119 56.287 -0.044 0.000 0.916 418 K CB 0.440 32.942 32.500 0.003 0.000 1.039 418 K HN -0.074 nan 8.250 nan 0.000 0.455 419 P HA 0.150 nan 4.420 nan 0.000 0.282 419 P C -0.569 176.722 177.300 -0.016 0.000 1.259 419 P CA -0.602 62.490 63.100 -0.013 0.000 0.826 419 P CB 0.865 32.557 31.700 -0.014 0.000 1.064 420 V N 3.828 123.726 119.914 -0.026 0.000 2.599 420 V HA 0.015 4.135 4.120 0.000 0.000 0.300 420 V C -1.727 174.316 176.094 -0.085 0.000 1.034 420 V CA -0.655 61.614 62.300 -0.051 0.000 1.115 420 V CB -0.776 31.017 31.823 -0.050 0.000 0.934 420 V HN 0.596 nan 8.190 nan 0.000 0.485 421 P HA 0.072 nan 4.420 nan 0.000 0.264 421 P C 0.835 177.972 177.300 -0.271 0.000 1.183 421 P CA 0.512 63.510 63.100 -0.170 0.000 0.763 421 P CB 0.631 32.203 31.700 -0.213 0.000 0.807 422 G N 2.065 110.781 108.800 -0.142 0.000 2.796 422 G HA2 0.181 4.141 3.960 0.000 0.000 0.210 422 G HA3 0.181 4.141 3.960 0.000 0.000 0.210 422 G C 0.191 175.107 174.900 0.027 0.000 1.146 422 G CA -0.086 44.957 45.100 -0.095 0.000 0.779 422 G HN 0.561 nan 8.290 nan 0.000 0.535 423 F N 0.000 119.950 119.950 -0.001 0.000 2.286 423 F HA 0.000 4.527 4.527 0.000 0.000 0.279 423 F CA 0.000 57.988 58.000 -0.020 0.000 1.383 423 F CB 0.000 38.971 39.000 -0.048 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574