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 2zc7_1_B DATA FIRST_RESID 2 DATA SEQUENCE PMSEKQLAEV VERTVTPLMK AQAIPGMAVA VIYEGQPHYF TFGKADVAAN DATA SEQUENCE KPVTPQTLFE LGSISKTFTG VLGGDAIARG EISLGDPVTK YWPELTGKQW DATA SEQUENCE QGIRMLDLAT YTAGGLPLQV PDEVKDNASL LRFYQNWQPQ WKPGTTRLYA DATA SEQUENCE NASIGLFGAL AVKPSGMSYE QAITTRVFKP LKLDHTWINV PKAEEAHYAW DATA SEQUENCE GYRDGKAVHV SPGMLDAEAY GVKTNVQDMA SWVMVNMKPD SLQDNSLRKG DATA SEQUENCE LTLAQSRYWR VGAMYQGLGW EMLNWPVDAK TVVEGSDNKV ALAPLPAREV DATA SEQUENCE NPPAPPVNAS WVHKTGSTGG FGSYVAFIPE KQLGIVMLAN KSYPNPARVE DATA SEQUENCE AAYRILSAL 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.197 177.300 -0.172 0.000 1.155 2 P CA 0.000 63.010 63.100 -0.150 0.000 0.800 2 P CB 0.000 31.561 31.700 -0.231 0.000 0.726 3 M N 0.650 120.247 119.600 -0.004 0.000 2.615 3 M HA 0.118 4.598 4.480 -0.000 0.000 0.262 3 M C 0.370 176.701 176.300 0.051 0.000 1.198 3 M CA 0.872 56.240 55.300 0.112 0.000 1.165 3 M CB 0.374 33.050 32.600 0.127 0.000 1.310 3 M HN 0.265 nan 8.290 nan 0.000 0.494 4 S N 0.984 116.691 115.700 0.011 0.000 2.564 4 S HA 0.058 4.528 4.470 -0.000 0.000 0.278 4 S C 0.857 175.446 174.600 -0.018 0.000 1.333 4 S CA -0.410 57.797 58.200 0.012 0.000 1.048 4 S CB 0.742 63.949 63.200 0.012 0.000 0.900 4 S HN 0.466 nan 8.310 nan 0.000 0.505 5 E N 1.350 121.556 120.200 0.010 0.000 2.515 5 E HA -0.119 4.231 4.350 -0.000 0.000 0.201 5 E C 0.941 177.583 176.600 0.070 0.000 1.071 5 E CA 0.737 57.151 56.400 0.022 0.000 0.880 5 E CB 0.012 29.765 29.700 0.089 0.000 0.828 5 E HN 0.682 nan 8.360 nan 0.000 0.540 6 K N 0.101 120.520 120.400 0.033 0.000 2.350 6 K HA 0.066 4.385 4.320 -0.000 0.000 0.196 6 K C 1.879 178.477 176.600 -0.003 0.000 1.084 6 K CA 0.075 56.383 56.287 0.036 0.000 0.967 6 K CB 0.264 32.784 32.500 0.034 0.000 0.950 6 K HN 0.117 nan 8.250 nan 0.000 0.512 7 Q N 0.705 120.488 119.800 -0.028 0.000 2.079 7 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 7 Q C 2.022 177.962 176.000 -0.101 0.000 0.974 7 Q CA 1.166 56.937 55.803 -0.053 0.000 0.840 7 Q CB 0.004 28.708 28.738 -0.057 0.000 0.898 7 Q HN 0.102 nan 8.270 nan 0.000 0.430 8 L N 0.580 121.721 121.223 -0.137 0.000 2.017 8 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 8 L C 2.126 178.844 176.870 -0.254 0.000 1.073 8 L CA 2.116 56.828 54.840 -0.214 0.000 0.745 8 L CB -0.884 41.029 42.059 -0.244 0.000 0.894 8 L HN 0.117 nan 8.230 nan 0.000 0.432 9 A N -1.002 121.736 122.820 -0.135 0.000 1.908 9 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 9 A C 2.339 179.825 177.584 -0.165 0.000 1.181 9 A CA 1.895 53.822 52.037 -0.183 0.000 0.627 9 A CB -0.733 18.351 19.000 0.141 0.000 0.818 9 A HN 0.600 nan 8.150 nan 0.000 0.445 10 E N -0.276 119.873 120.200 -0.085 0.000 2.106 10 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 10 E C 2.032 178.586 176.600 -0.077 0.000 0.984 10 E CA 1.369 57.737 56.400 -0.054 0.000 0.806 10 E CB -0.087 29.593 29.700 -0.033 0.000 0.750 10 E HN 0.390 nan 8.360 nan 0.000 0.458 11 V N 0.562 120.406 119.914 -0.117 0.000 2.270 11 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 11 V C 2.504 178.521 176.094 -0.127 0.000 1.043 11 V CA 1.383 63.616 62.300 -0.111 0.000 1.014 11 V CB -0.444 31.299 31.823 -0.132 0.000 0.645 11 V HN 0.136 nan 8.190 nan 0.000 0.447 12 V N -0.045 119.731 119.914 -0.229 0.000 2.255 12 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 12 V C 2.406 178.453 176.094 -0.079 0.000 1.051 12 V CA 2.340 64.500 62.300 -0.233 0.000 1.018 12 V CB -0.734 30.724 31.823 -0.609 0.000 0.641 12 V HN 0.599 nan 8.190 nan 0.000 0.445 13 E N 0.087 120.280 120.200 -0.012 0.000 2.106 13 E HA -0.218 4.131 4.350 -0.000 0.000 0.192 13 E C 2.366 178.988 176.600 0.038 0.000 0.984 13 E CA 1.223 57.702 56.400 0.130 0.000 0.806 13 E CB -0.207 29.589 29.700 0.161 0.000 0.750 13 E HN 0.667 nan 8.360 nan 0.000 0.458 14 R N 0.206 120.705 120.500 -0.002 0.000 2.235 14 R HA 0.015 4.355 4.340 -0.000 0.000 0.213 14 R C 1.436 177.722 176.300 -0.022 0.000 1.059 14 R CA 1.372 57.468 56.100 -0.007 0.000 0.997 14 R CB -0.087 30.208 30.300 -0.008 0.000 0.884 14 R HN -0.034 nan 8.270 nan 0.000 0.462 15 T N 0.306 114.837 114.554 -0.038 0.000 3.021 15 T HA 0.093 4.443 4.350 -0.000 0.000 0.245 15 T C 1.854 176.499 174.700 -0.093 0.000 1.028 15 T CA 0.645 62.719 62.100 -0.043 0.000 1.139 15 T CB 0.165 69.021 68.868 -0.020 0.000 0.884 15 T HN -0.004 nan 8.240 nan 0.000 0.457 16 V N 1.846 121.663 119.914 -0.162 0.000 2.453 16 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 16 V C 2.769 178.659 176.094 -0.341 0.000 1.048 16 V CA 1.776 63.873 62.300 -0.338 0.000 1.049 16 V CB -0.942 30.504 31.823 -0.628 0.000 0.672 16 V HN 0.502 nan 8.190 nan 0.000 0.457 17 T N 1.170 115.601 114.554 -0.205 0.000 2.652 17 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 17 T C -0.005 174.643 174.700 -0.087 0.000 1.039 17 T CA 2.102 64.144 62.100 -0.097 0.000 1.153 17 T CB -1.259 67.626 68.868 0.030 0.000 0.863 17 T HN 0.490 nan 8.240 nan 0.000 0.428 18 P HA 0.019 nan 4.420 nan 0.000 0.221 18 P C 1.759 179.009 177.300 -0.084 0.000 1.150 18 P CA 0.582 63.647 63.100 -0.058 0.000 0.800 18 P CB -0.143 31.535 31.700 -0.037 0.000 0.787 19 L N -0.422 120.728 121.223 -0.121 0.000 1.988 19 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 19 L C 2.473 179.213 176.870 -0.217 0.000 1.071 19 L CA 1.938 56.680 54.840 -0.163 0.000 0.744 19 L CB -1.077 40.862 42.059 -0.200 0.000 0.893 19 L HN -0.038 nan 8.230 nan 0.000 0.433 20 M N -0.313 119.149 119.600 -0.231 0.000 2.106 20 M HA -0.288 4.192 4.480 -0.000 0.000 0.259 20 M C 2.140 178.363 176.300 -0.127 0.000 1.068 20 M CA 1.962 57.140 55.300 -0.203 0.000 1.100 20 M CB -0.363 32.130 32.600 -0.178 0.000 1.351 20 M HN 0.209 nan 8.290 nan 0.000 0.404 21 K N 0.060 120.404 120.400 -0.093 0.000 2.116 21 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 21 K C 2.131 178.698 176.600 -0.056 0.000 1.052 21 K CA 1.231 57.483 56.287 -0.058 0.000 0.952 21 K CB -0.179 32.298 32.500 -0.038 0.000 0.729 21 K HN 0.267 nan 8.250 nan 0.000 0.446 22 A N 1.133 123.915 122.820 -0.062 0.000 1.872 22 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 22 A C 1.842 179.398 177.584 -0.046 0.000 1.187 22 A CA 1.099 53.109 52.037 -0.045 0.000 0.614 22 A CB -0.188 18.789 19.000 -0.039 0.000 0.826 22 A HN 0.147 nan 8.150 nan 0.000 0.442 23 Q N -1.106 118.647 119.800 -0.079 0.000 2.444 23 Q HA 0.277 4.617 4.340 -0.000 0.000 0.206 23 Q C 0.828 176.794 176.000 -0.056 0.000 0.948 23 Q CA 0.667 56.429 55.803 -0.067 0.000 0.946 23 Q CB -0.344 28.300 28.738 -0.156 0.000 1.027 23 Q HN 0.932 nan 8.270 nan 0.000 0.513 24 A N 1.046 123.829 122.820 -0.061 0.000 2.783 24 A HA -0.213 4.107 4.320 -0.000 0.000 0.292 24 A C 0.183 177.735 177.584 -0.054 0.000 1.495 24 A CA 0.372 52.378 52.037 -0.052 0.000 0.787 24 A CB -2.391 16.590 19.000 -0.033 0.000 1.017 24 A HN 0.416 nan 8.150 nan 0.000 0.516 25 I N -0.362 120.158 120.570 -0.083 0.000 2.452 25 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 25 I C -0.740 175.364 176.117 -0.021 0.000 1.079 25 I CA -1.859 59.409 61.300 -0.053 0.000 1.387 25 I CB 0.886 38.806 38.000 -0.134 0.000 1.404 25 I HN 0.097 nan 8.210 nan 0.000 0.522 26 P HA -0.057 nan 4.420 nan 0.000 0.214 26 P C 0.437 177.796 177.300 0.098 0.000 1.162 26 P CA 0.672 63.759 63.100 -0.022 0.000 0.879 26 P CB 0.240 31.849 31.700 -0.151 0.000 0.786 27 G N -1.302 107.623 108.800 0.208 0.000 2.638 27 G HA2 0.678 4.638 3.960 -0.000 0.000 0.302 27 G HA3 0.678 4.638 3.960 -0.000 0.000 0.302 27 G C -1.798 173.350 174.900 0.413 0.000 1.365 27 G CA -0.382 44.917 45.100 0.331 0.000 0.987 27 G HN 0.044 nan 8.290 nan 0.000 0.495 28 M N 1.644 121.479 119.600 0.393 0.000 2.371 28 M HA 0.694 5.174 4.480 -0.000 0.000 0.287 28 M C -1.303 175.208 176.300 0.352 0.000 1.149 28 M CA -0.692 54.752 55.300 0.240 0.000 0.929 28 M CB 2.251 34.884 32.600 0.055 0.000 1.683 28 M HN 0.786 nan 8.290 nan 0.000 0.470 29 A N 3.991 126.877 122.820 0.110 0.000 2.331 29 A HA 0.809 5.129 4.320 -0.000 0.000 0.320 29 A C -1.509 176.200 177.584 0.210 0.000 1.138 29 A CA -0.587 51.593 52.037 0.238 0.000 0.790 29 A CB 1.336 20.477 19.000 0.234 0.000 1.206 29 A HN 0.607 nan 8.150 nan 0.000 0.470 30 V N 1.400 121.546 119.914 0.386 0.000 2.540 30 V HA 0.769 4.889 4.120 -0.000 0.000 0.302 30 V C 0.214 176.584 176.094 0.461 0.000 1.035 30 V CA -0.307 62.233 62.300 0.400 0.000 0.873 30 V CB 1.685 33.795 31.823 0.479 0.000 0.992 30 V HN 1.265 nan 8.190 nan 0.000 0.428 31 A N 4.205 127.242 122.820 0.361 0.000 2.343 31 A HA 0.868 5.188 4.320 -0.000 0.000 0.316 31 A C -0.997 176.732 177.584 0.242 0.000 1.104 31 A CA -0.552 51.662 52.037 0.296 0.000 0.768 31 A CB 1.677 20.834 19.000 0.263 0.000 1.213 31 A HN 0.645 nan 8.150 nan 0.000 0.456 32 V N 4.136 124.207 119.914 0.261 0.000 2.417 32 V HA 0.336 4.456 4.120 -0.000 0.000 0.291 32 V C -0.574 175.634 176.094 0.190 0.000 1.024 32 V CA -0.554 61.873 62.300 0.212 0.000 0.861 32 V CB 1.478 33.429 31.823 0.213 0.000 0.985 32 V HN 0.708 nan 8.190 nan 0.000 0.436 33 I N 5.534 126.180 120.570 0.127 0.000 2.297 33 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 33 I C -0.678 175.550 176.117 0.184 0.000 1.033 33 I CA -0.594 60.765 61.300 0.097 0.000 1.253 33 I CB 0.538 38.531 38.000 -0.011 0.000 1.396 33 I HN 0.578 nan 8.210 nan 0.000 0.476 34 Y N 5.441 125.788 120.300 0.078 0.000 2.326 34 Y HA 0.310 4.860 4.550 -0.000 0.000 0.331 34 Y C 0.633 176.554 175.900 0.034 0.000 0.962 34 Y CA -1.289 56.832 58.100 0.034 0.000 1.167 34 Y CB 0.873 39.328 38.460 -0.009 0.000 1.148 34 Y HN 0.747 nan 8.280 nan 0.000 0.463 35 E N 3.996 124.010 120.200 -0.310 0.000 2.360 35 E HA -0.262 4.088 4.350 -0.000 0.000 0.238 35 E C 1.093 177.606 176.600 -0.144 0.000 1.186 35 E CA 0.988 57.219 56.400 -0.282 0.000 0.719 35 E CB -1.244 28.218 29.700 -0.396 0.000 1.236 35 E HN 1.211 nan 8.360 nan 0.000 0.386 36 G N -0.756 107.983 108.800 -0.101 0.000 2.184 36 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.264 36 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.264 36 G C 0.054 174.909 174.900 -0.074 0.000 0.975 36 G CA 0.602 45.645 45.100 -0.095 0.000 0.642 36 G HN 0.237 nan 8.290 nan 0.000 0.536 37 Q N 0.654 120.432 119.800 -0.036 0.000 2.293 37 Q HA 0.456 4.796 4.340 -0.000 0.000 0.261 37 Q C -2.515 173.424 176.000 -0.101 0.000 0.960 37 Q CA -2.065 53.701 55.803 -0.062 0.000 0.882 37 Q CB 2.513 31.235 28.738 -0.027 0.000 1.275 37 Q HN 0.339 nan 8.270 nan 0.000 0.445 38 P HA 0.210 nan 4.420 nan 0.000 0.282 38 P C -1.069 175.696 177.300 -0.893 0.000 1.262 38 P CA -0.277 62.561 63.100 -0.438 0.000 0.773 38 P CB 0.581 32.045 31.700 -0.394 0.000 0.879 39 H N 2.136 120.927 119.070 -0.465 0.000 2.529 39 H HA 0.448 5.003 4.556 -0.000 0.000 0.348 39 H C -0.557 174.361 175.328 -0.683 0.000 1.079 39 H CA -0.226 55.512 56.048 -0.516 0.000 1.198 39 H CB 0.773 30.449 29.762 -0.144 0.000 1.521 39 H HN 0.320 nan 8.280 nan 0.000 0.514 40 Y N 2.553 122.597 120.300 -0.427 0.000 2.341 40 Y HA 0.433 4.983 4.550 -0.000 0.000 0.337 40 Y C -0.779 174.665 175.900 -0.761 0.000 1.014 40 Y CA -0.999 56.870 58.100 -0.384 0.000 1.111 40 Y CB 0.684 39.028 38.460 -0.193 0.000 1.194 40 Y HN 0.475 nan 8.280 nan 0.000 0.462 41 F N 1.096 121.187 119.950 0.236 0.000 2.539 41 F HA 0.568 5.095 4.527 -0.000 0.000 0.318 41 F C -0.119 175.703 175.800 0.037 0.000 1.135 41 F CA -1.022 57.010 58.000 0.052 0.000 0.915 41 F CB 2.131 41.200 39.000 0.114 0.000 1.176 41 F HN 0.380 nan 8.300 nan 0.000 0.440 42 T N -0.266 114.248 114.554 -0.067 0.000 2.856 42 T HA 0.840 5.190 4.350 -0.000 0.000 0.283 42 T C -1.085 173.511 174.700 -0.172 0.000 1.008 42 T CA -0.704 61.437 62.100 0.068 0.000 0.997 42 T CB 1.411 70.350 68.868 0.118 0.000 0.992 42 T HN 0.221 nan 8.240 nan 0.000 0.454 43 F N 0.556 120.616 119.950 0.183 0.000 2.578 43 F HA 0.751 5.278 4.527 -0.000 0.000 0.311 43 F C 1.123 177.008 175.800 0.141 0.000 1.094 43 F CA -0.042 58.043 58.000 0.143 0.000 0.923 43 F CB 1.728 40.798 39.000 0.117 0.000 1.230 43 F HN 1.219 nan 8.300 nan 0.000 0.450 44 G N 2.290 111.260 108.800 0.284 0.000 2.575 44 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.267 44 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.267 44 G C -1.081 173.925 174.900 0.176 0.000 1.264 44 G CA -0.626 44.592 45.100 0.196 0.000 0.935 44 G HN 0.539 nan 8.290 nan 0.000 0.568 45 K N 0.308 120.799 120.400 0.152 0.000 2.221 45 K HA 0.726 5.046 4.320 -0.000 0.000 0.258 45 K C 1.045 177.762 176.600 0.195 0.000 0.944 45 K CA -0.141 56.231 56.287 0.142 0.000 0.823 45 K CB 1.550 34.097 32.500 0.078 0.000 1.113 45 K HN 0.957 nan 8.250 nan 0.000 0.431 46 A N 1.280 124.212 122.820 0.187 0.000 2.021 46 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 46 A C 0.209 177.964 177.584 0.286 0.000 1.163 46 A CA 1.138 53.281 52.037 0.177 0.000 0.676 46 A CB 0.101 19.154 19.000 0.088 0.000 0.818 46 A HN 0.655 nan 8.150 nan 0.000 0.453 47 D N -1.063 119.508 120.400 0.285 0.000 2.602 47 D HA 0.375 5.015 4.640 -0.000 0.000 0.245 47 D C 0.622 177.058 176.300 0.227 0.000 1.325 47 D CA -0.319 53.912 54.000 0.384 0.000 0.952 47 D CB 1.725 42.732 40.800 0.345 0.000 1.317 47 D HN -0.126 nan 8.370 nan 0.000 0.577 48 V N 3.418 123.439 119.914 0.178 0.000 2.323 48 V HA -0.100 4.019 4.120 -0.000 0.000 0.244 48 V C 2.538 178.638 176.094 0.010 0.000 1.041 48 V CA 2.037 64.326 62.300 -0.018 0.000 1.025 48 V CB -0.692 30.963 31.823 -0.281 0.000 0.656 48 V HN 0.682 nan 8.190 nan 0.000 0.451 49 A N 0.106 122.944 122.820 0.030 0.000 1.908 49 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 49 A C 2.229 179.826 177.584 0.022 0.000 1.181 49 A CA 2.151 54.191 52.037 0.004 0.000 0.627 49 A CB -0.624 18.361 19.000 -0.025 0.000 0.818 49 A HN 0.601 nan 8.150 nan 0.000 0.445 50 A N -1.760 121.094 122.820 0.057 0.000 2.218 50 A HA 0.192 4.512 4.320 -0.000 0.000 0.209 50 A C 0.978 178.597 177.584 0.058 0.000 1.168 50 A CA 0.790 52.864 52.037 0.062 0.000 0.804 50 A CB -0.701 18.355 19.000 0.094 0.000 0.834 50 A HN 0.752 nan 8.150 nan 0.000 0.482 51 N N -0.792 117.943 118.700 0.058 0.000 2.741 51 N HA -0.152 4.588 4.740 -0.000 0.000 0.250 51 N C -0.832 174.716 175.510 0.064 0.000 1.115 51 N CA 0.452 53.532 53.050 0.050 0.000 0.724 51 N CB -0.813 37.694 38.487 0.033 0.000 1.090 51 N HN 0.543 nan 8.380 nan 0.000 0.558 52 K N 1.391 121.843 120.400 0.087 0.000 2.312 52 K HA 0.229 4.549 4.320 -0.000 0.000 0.287 52 K C -2.165 174.494 176.600 0.099 0.000 1.062 52 K CA -1.040 55.299 56.287 0.087 0.000 0.934 52 K CB 1.055 33.611 32.500 0.092 0.000 1.027 52 K HN 0.202 nan 8.250 nan 0.000 0.478 53 P HA 0.037 nan 4.420 nan 0.000 0.274 53 P C -0.169 177.209 177.300 0.129 0.000 1.237 53 P CA -0.413 62.750 63.100 0.105 0.000 0.793 53 P CB 0.739 32.489 31.700 0.083 0.000 0.977 54 V N 1.991 122.007 119.914 0.170 0.000 2.530 54 V HA 0.304 4.423 4.120 -0.000 0.000 0.282 54 V C 1.144 177.341 176.094 0.172 0.000 1.048 54 V CA 0.547 62.979 62.300 0.220 0.000 0.997 54 V CB 0.663 32.710 31.823 0.373 0.000 0.987 54 V HN 0.896 nan 8.190 nan 0.000 0.477 55 T N 2.627 117.270 114.554 0.148 0.000 2.831 55 T HA 0.499 4.848 4.350 -0.000 0.000 0.287 55 T C -2.470 172.261 174.700 0.051 0.000 1.070 55 T CA -1.923 60.224 62.100 0.078 0.000 1.010 55 T CB 2.006 70.903 68.868 0.048 0.000 1.264 55 T HN 0.319 nan 8.240 nan 0.000 0.532 56 P HA 0.108 nan 4.420 nan 0.000 0.234 56 P C 0.953 178.137 177.300 -0.195 0.000 1.167 56 P CA 0.695 63.685 63.100 -0.184 0.000 0.763 56 P CB 0.028 31.516 31.700 -0.354 0.000 0.835 57 Q N -1.879 117.817 119.800 -0.173 0.000 2.396 57 Q HA 0.077 4.417 4.340 -0.000 0.000 0.209 57 Q C 0.293 176.175 176.000 -0.196 0.000 0.906 57 Q CA 0.296 55.907 55.803 -0.319 0.000 0.927 57 Q CB -0.238 28.167 28.738 -0.554 0.000 1.069 57 Q HN 0.118 nan 8.270 nan 0.000 0.523 58 T N 2.571 117.121 114.554 -0.006 0.000 2.866 58 T HA 0.050 4.399 4.350 -0.000 0.000 0.293 58 T C 0.085 174.776 174.700 -0.014 0.000 1.005 58 T CA 0.408 62.516 62.100 0.013 0.000 1.162 58 T CB 0.129 68.987 68.868 -0.016 0.000 0.968 58 T HN 0.107 nan 8.240 nan 0.000 0.530 59 L N 3.764 124.957 121.223 -0.049 0.000 2.350 59 L HA 0.587 4.926 4.340 -0.000 0.000 0.275 59 L C -0.243 176.552 176.870 -0.125 0.000 1.099 59 L CA -0.534 54.278 54.840 -0.046 0.000 0.808 59 L CB 0.488 42.453 42.059 -0.156 0.000 1.149 59 L HN 0.527 nan 8.230 nan 0.000 0.442 60 F N -0.083 119.873 119.950 0.010 0.000 2.593 60 F HA 0.370 4.897 4.527 -0.000 0.000 0.320 60 F C 0.099 175.679 175.800 -0.366 0.000 1.060 60 F CA -0.824 57.163 58.000 -0.022 0.000 0.940 60 F CB 1.740 40.853 39.000 0.188 0.000 1.268 60 F HN 0.382 nan 8.300 nan 0.000 0.475 61 E N 1.845 121.586 120.200 -0.766 0.000 2.194 61 E HA 0.172 4.522 4.350 -0.000 0.000 0.284 61 E C 0.229 176.766 176.600 -0.104 0.000 1.035 61 E CA -0.253 55.842 56.400 -0.508 0.000 0.836 61 E CB 1.109 30.410 29.700 -0.665 0.000 1.070 61 E HN 0.469 nan 8.360 nan 0.000 0.401 62 L N 3.217 124.435 121.223 -0.009 0.000 2.217 62 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 62 L C 1.299 178.248 176.870 0.132 0.000 1.107 62 L CA 1.820 56.711 54.840 0.085 0.000 0.783 62 L CB -0.917 41.185 42.059 0.072 0.000 0.919 62 L HN 0.907 nan 8.230 nan 0.000 0.442 63 G N -1.242 107.643 108.800 0.142 0.000 2.566 63 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.280 63 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.280 63 G C 1.042 176.071 174.900 0.215 0.000 1.225 63 G CA 0.372 45.593 45.100 0.202 0.000 0.966 63 G HN 0.199 nan 8.290 nan 0.000 0.560 64 S N 0.168 115.996 115.700 0.214 0.000 2.465 64 S HA -0.065 4.405 4.470 -0.000 0.000 0.241 64 S C 2.311 177.012 174.600 0.169 0.000 1.000 64 S CA 1.582 59.917 58.200 0.225 0.000 0.964 64 S CB -0.255 63.106 63.200 0.268 0.000 0.763 64 S HN 0.511 nan 8.310 nan 0.000 0.512 65 I N 1.666 122.318 120.570 0.136 0.000 2.657 65 I HA -0.157 4.013 4.170 -0.000 0.000 0.261 65 I C 2.052 178.237 176.117 0.115 0.000 1.212 65 I CA 0.518 61.867 61.300 0.081 0.000 1.453 65 I CB -0.486 37.575 38.000 0.102 0.000 1.092 65 I HN 0.204 nan 8.210 nan 0.000 0.452 66 S N 0.866 116.670 115.700 0.172 0.000 2.402 66 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 66 S C 1.878 176.599 174.600 0.203 0.000 1.030 66 S CA 1.259 59.593 58.200 0.224 0.000 1.003 66 S CB -0.204 63.065 63.200 0.114 0.000 0.813 66 S HN 0.481 nan 8.310 nan 0.000 0.477 67 K N 0.844 121.314 120.400 0.118 0.000 2.211 67 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 67 K C 2.481 179.088 176.600 0.012 0.000 1.047 67 K CA 1.625 57.962 56.287 0.084 0.000 0.935 67 K CB -0.566 32.009 32.500 0.125 0.000 0.728 67 K HN 0.642 nan 8.250 nan 0.000 0.452 68 T N -0.907 113.555 114.554 -0.153 0.000 2.788 68 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 68 T C 1.769 176.462 174.700 -0.013 0.000 1.044 68 T CA 0.929 62.785 62.100 -0.408 0.000 1.139 68 T CB -0.404 67.837 68.868 -1.045 0.000 0.867 68 T HN 0.018 nan 8.240 nan 0.000 0.454 69 F N 2.216 122.216 119.950 0.083 0.000 2.113 69 F HA 0.025 4.551 4.527 -0.000 0.000 0.297 69 F C 3.050 178.936 175.800 0.143 0.000 1.103 69 F CA 1.492 59.516 58.000 0.041 0.000 1.248 69 F CB -1.195 37.720 39.000 -0.142 0.000 0.999 69 F HN 0.146 nan 8.300 nan 0.000 0.475 70 T N -0.531 114.232 114.554 0.348 0.000 2.746 70 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 70 T C 2.369 177.241 174.700 0.286 0.000 1.039 70 T CA 1.404 63.692 62.100 0.315 0.000 1.142 70 T CB -1.101 67.856 68.868 0.149 0.000 0.866 70 T HN 0.432 nan 8.240 nan 0.000 0.444 71 G N 1.201 110.135 108.800 0.223 0.000 2.459 71 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.217 71 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.217 71 G C 1.708 176.755 174.900 0.245 0.000 1.183 71 G CA 1.034 46.254 45.100 0.201 0.000 0.776 71 G HN 0.437 nan 8.290 nan 0.000 0.552 72 V N 0.581 120.658 119.914 0.272 0.000 2.343 72 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 72 V C 2.696 178.925 176.094 0.225 0.000 1.051 72 V CA 1.585 64.058 62.300 0.288 0.000 1.036 72 V CB -0.407 31.681 31.823 0.443 0.000 0.654 72 V HN 0.330 nan 8.190 nan 0.000 0.451 73 L N 1.227 122.573 121.223 0.205 0.000 2.083 73 L HA -0.011 4.328 4.340 -0.000 0.000 0.209 73 L C 2.309 179.231 176.870 0.086 0.000 1.083 73 L CA 2.270 57.170 54.840 0.100 0.000 0.752 73 L CB -1.135 40.945 42.059 0.034 0.000 0.899 73 L HN 0.276 nan 8.230 nan 0.000 0.433 74 G N -1.236 107.669 108.800 0.175 0.000 2.408 74 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 74 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 74 G C 1.522 176.543 174.900 0.201 0.000 1.150 74 G CA 0.509 45.742 45.100 0.221 0.000 0.776 74 G HN 0.562 nan 8.290 nan 0.000 0.542 75 G N 0.386 109.303 108.800 0.194 0.000 2.422 75 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.218 75 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.218 75 G C 1.494 176.460 174.900 0.110 0.000 1.146 75 G CA 1.283 46.477 45.100 0.157 0.000 0.769 75 G HN 0.449 nan 8.290 nan 0.000 0.547 76 D N 1.036 121.493 120.400 0.094 0.000 2.123 76 D HA -0.016 4.624 4.640 -0.000 0.000 0.200 76 D C 2.706 179.027 176.300 0.034 0.000 0.976 76 D CA 1.087 55.122 54.000 0.059 0.000 0.831 76 D CB -0.097 40.733 40.800 0.051 0.000 0.974 76 D HN 0.233 nan 8.370 nan 0.000 0.469 77 A N 0.839 123.671 122.820 0.020 0.000 1.930 77 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 77 A C 2.459 180.057 177.584 0.023 0.000 1.175 77 A CA 0.795 52.828 52.037 -0.007 0.000 0.627 77 A CB -0.634 18.326 19.000 -0.067 0.000 0.815 77 A HN 0.333 nan 8.150 nan 0.000 0.443 78 I N -0.168 120.436 120.570 0.056 0.000 2.226 78 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 78 I C 2.917 179.071 176.117 0.062 0.000 1.100 78 I CA 1.065 62.409 61.300 0.072 0.000 1.374 78 I CB -0.321 37.741 38.000 0.104 0.000 1.057 78 I HN 0.336 nan 8.210 nan 0.000 0.413 79 A N 0.810 123.664 122.820 0.056 0.000 1.972 79 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 79 A C 2.311 179.914 177.584 0.033 0.000 1.169 79 A CA 1.400 53.463 52.037 0.044 0.000 0.635 79 A CB -0.522 18.503 19.000 0.042 0.000 0.810 79 A HN 0.363 nan 8.150 nan 0.000 0.446 80 R N -1.623 118.894 120.500 0.028 0.000 2.299 80 R HA 0.189 4.528 4.340 -0.000 0.000 0.197 80 R C 1.322 177.638 176.300 0.027 0.000 0.971 80 R CA 0.548 56.660 56.100 0.020 0.000 1.030 80 R CB -0.078 30.228 30.300 0.010 0.000 0.932 80 R HN 0.684 nan 8.270 nan 0.000 0.477 81 G N 1.060 109.883 108.800 0.038 0.000 2.157 81 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 81 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 81 G C 0.537 175.473 174.900 0.061 0.000 0.979 81 G CA 0.402 45.531 45.100 0.048 0.000 0.650 81 G HN 0.435 nan 8.290 nan 0.000 0.529 82 E N -0.989 119.243 120.200 0.053 0.000 2.299 82 E HA 0.329 4.679 4.350 -0.000 0.000 0.193 82 E C 0.730 177.409 176.600 0.131 0.000 0.998 82 E CA 0.602 57.044 56.400 0.070 0.000 0.851 82 E CB 0.422 30.139 29.700 0.028 0.000 0.795 82 E HN 0.594 nan 8.360 nan 0.000 0.492 83 I N -0.999 119.624 120.570 0.089 0.000 2.994 83 I HA 0.180 4.350 4.170 -0.000 0.000 0.306 83 I C -1.085 175.105 176.117 0.123 0.000 1.195 83 I CA -0.643 60.704 61.300 0.079 0.000 1.001 83 I CB 2.572 40.476 38.000 -0.160 0.000 1.244 83 I HN -0.265 nan 8.210 nan 0.000 0.437 84 S N 4.057 119.861 115.700 0.174 0.000 2.619 84 S HA 0.493 4.963 4.470 -0.000 0.000 0.280 84 S C 0.606 175.301 174.600 0.159 0.000 1.150 84 S CA -0.655 57.637 58.200 0.153 0.000 0.978 84 S CB 0.867 64.158 63.200 0.151 0.000 1.041 84 S HN 0.606 nan 8.310 nan 0.000 0.485 85 L N 3.913 125.213 121.223 0.129 0.000 2.187 85 L HA 0.013 4.352 4.340 -0.000 0.000 0.213 85 L C 2.536 179.480 176.870 0.125 0.000 1.100 85 L CA 1.645 56.548 54.840 0.105 0.000 0.765 85 L CB -0.675 41.417 42.059 0.055 0.000 0.904 85 L HN 0.882 nan 8.230 nan 0.000 0.437 86 G N -1.266 107.612 108.800 0.130 0.000 2.572 86 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 86 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 86 G C 0.321 175.311 174.900 0.150 0.000 1.133 86 G CA -0.115 45.060 45.100 0.125 0.000 0.791 86 G HN 0.224 nan 8.290 nan 0.000 0.538 87 D N 1.332 121.848 120.400 0.194 0.000 2.423 87 D HA 0.219 4.859 4.640 -0.000 0.000 0.238 87 D C -1.967 174.480 176.300 0.245 0.000 1.142 87 D CA -1.327 52.810 54.000 0.228 0.000 0.884 87 D CB 1.256 42.281 40.800 0.375 0.000 1.199 87 D HN 0.109 nan 8.370 nan 0.000 0.438 88 P HA 0.002 nan 4.420 nan 0.000 0.275 88 P C 0.938 178.402 177.300 0.273 0.000 1.228 88 P CA -0.392 62.836 63.100 0.213 0.000 0.786 88 P CB 1.005 32.801 31.700 0.160 0.000 0.927 89 V N 2.402 122.499 119.914 0.306 0.000 2.380 89 V HA -0.275 3.845 4.120 -0.000 0.000 0.251 89 V C 2.707 178.945 176.094 0.241 0.000 1.063 89 V CA 3.034 65.518 62.300 0.307 0.000 1.055 89 V CB -2.038 29.975 31.823 0.318 0.000 0.657 89 V HN 0.740 nan 8.190 nan 0.000 0.455 90 T N -0.948 113.709 114.554 0.172 0.000 2.822 90 T HA -0.326 4.024 4.350 -0.000 0.000 0.270 90 T C 1.767 176.488 174.700 0.036 0.000 1.064 90 T CA 1.894 64.043 62.100 0.082 0.000 1.131 90 T CB -0.418 68.496 68.868 0.077 0.000 0.858 90 T HN 0.593 nan 8.240 nan 0.000 0.483 91 K N 0.194 120.583 120.400 -0.019 0.000 2.148 91 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 91 K C 1.555 177.949 176.600 -0.344 0.000 1.050 91 K CA 1.136 57.284 56.287 -0.232 0.000 0.942 91 K CB -0.307 31.957 32.500 -0.393 0.000 0.724 91 K HN 0.534 nan 8.250 nan 0.000 0.446 92 Y N -2.029 118.301 120.300 0.050 0.000 2.500 92 Y HA 0.087 4.637 4.550 -0.000 0.000 0.270 92 Y C 0.299 176.239 175.900 0.067 0.000 1.134 92 Y CA -0.284 57.829 58.100 0.020 0.000 1.293 92 Y CB 0.367 38.807 38.460 -0.033 0.000 1.063 92 Y HN 0.142 nan 8.280 nan 0.000 0.534 93 W N 3.757 125.043 121.300 -0.022 0.000 2.291 93 W HA 0.376 5.035 4.660 -0.000 0.000 0.288 93 W C -2.167 174.294 176.519 -0.096 0.000 0.976 93 W CA -3.788 53.505 57.345 -0.086 0.000 1.744 93 W CB 0.782 30.137 29.460 -0.173 0.000 1.815 93 W HN -0.128 nan 8.180 nan 0.000 0.396 94 P HA -0.258 nan 4.420 nan 0.000 0.217 94 P C 0.817 178.061 177.300 -0.093 0.000 1.148 94 P CA 1.981 65.088 63.100 0.012 0.000 0.834 94 P CB 0.487 32.201 31.700 0.022 0.000 0.783 95 E N -0.722 119.380 120.200 -0.163 0.000 2.338 95 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 95 E C 0.834 177.115 176.600 -0.531 0.000 1.007 95 E CA 0.247 56.457 56.400 -0.317 0.000 0.849 95 E CB -0.664 28.848 29.700 -0.314 0.000 0.774 95 E HN 0.185 nan 8.360 nan 0.000 0.506 96 L N 1.333 122.131 121.223 -0.708 0.000 2.328 96 L HA 0.176 4.516 4.340 -0.000 0.000 0.280 96 L C 0.439 177.092 176.870 -0.361 0.000 1.111 96 L CA 0.254 54.657 54.840 -0.729 0.000 0.909 96 L CB 0.379 41.821 42.059 -1.029 0.000 1.277 96 L HN -0.023 nan 8.230 nan 0.000 0.433 97 T N 0.097 114.522 114.554 -0.214 0.000 3.129 97 T HA 0.341 4.691 4.350 -0.000 0.000 0.267 97 T C 0.864 175.595 174.700 0.051 0.000 1.018 97 T CA 0.020 62.085 62.100 -0.059 0.000 0.903 97 T CB -0.082 68.754 68.868 -0.054 0.000 1.067 97 T HN 0.577 nan 8.240 nan 0.000 0.549 98 G N 1.412 110.292 108.800 0.133 0.000 2.474 98 G HA2 0.170 4.130 3.960 -0.000 0.000 0.233 98 G HA3 0.170 4.130 3.960 -0.000 0.000 0.233 98 G C 0.592 175.641 174.900 0.249 0.000 1.278 98 G CA -0.588 44.663 45.100 0.252 0.000 0.861 98 G HN 0.420 nan 8.290 nan 0.000 0.567 99 K N 0.746 121.225 120.400 0.133 0.000 2.365 99 K HA -0.088 4.232 4.320 -0.000 0.000 0.199 99 K C 2.376 179.011 176.600 0.059 0.000 1.045 99 K CA 1.038 57.377 56.287 0.088 0.000 0.962 99 K CB 0.132 32.655 32.500 0.038 0.000 0.759 99 K HN 0.548 nan 8.250 nan 0.000 0.469 100 Q N -0.816 118.989 119.800 0.008 0.000 2.436 100 Q HA -0.112 4.228 4.340 -0.000 0.000 0.209 100 Q C 0.773 176.662 176.000 -0.186 0.000 0.965 100 Q CA 0.936 56.632 55.803 -0.179 0.000 0.910 100 Q CB -0.229 28.247 28.738 -0.437 0.000 0.980 100 Q HN 0.387 nan 8.270 nan 0.000 0.491 101 W N 1.095 122.459 121.300 0.106 0.000 3.139 101 W HA 0.144 4.804 4.660 -0.000 0.000 0.260 101 W C 0.482 177.070 176.519 0.115 0.000 1.312 101 W CA -0.505 56.929 57.345 0.148 0.000 1.606 101 W CB 0.393 29.934 29.460 0.136 0.000 1.118 101 W HN 0.090 nan 8.180 nan 0.000 0.675 102 Q N 0.546 120.472 119.800 0.211 0.000 2.286 102 Q HA 0.329 4.669 4.340 -0.000 0.000 0.267 102 Q C 1.242 177.319 176.000 0.127 0.000 1.028 102 Q CA 1.226 57.120 55.803 0.153 0.000 0.901 102 Q CB 0.544 29.343 28.738 0.101 0.000 1.183 102 Q HN 0.361 nan 8.270 nan 0.000 0.392 103 G N 3.923 112.809 108.800 0.142 0.000 2.195 103 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.246 103 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.246 103 G C 0.099 175.097 174.900 0.162 0.000 0.984 103 G CA -0.037 45.142 45.100 0.132 0.000 0.633 103 G HN 0.635 nan 8.290 nan 0.000 0.525 104 I N 1.856 122.550 120.570 0.206 0.000 2.337 104 I HA 0.402 4.571 4.170 -0.000 0.000 0.291 104 I C 0.905 177.187 176.117 0.275 0.000 1.046 104 I CA -0.602 60.846 61.300 0.247 0.000 1.324 104 I CB 0.730 38.906 38.000 0.293 0.000 1.409 104 I HN 0.060 nan 8.210 nan 0.000 0.494 105 R N 4.876 125.515 120.500 0.231 0.000 2.549 105 R HA 0.373 4.713 4.340 -0.000 0.000 0.267 105 R C 1.052 177.478 176.300 0.210 0.000 1.045 105 R CA -0.715 55.514 56.100 0.215 0.000 1.115 105 R CB 0.689 31.098 30.300 0.182 0.000 1.121 105 R HN 0.506 nan 8.270 nan 0.000 0.543 106 M N 1.030 120.757 119.600 0.211 0.000 2.202 106 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 106 M C 1.845 178.181 176.300 0.060 0.000 1.063 106 M CA 1.415 56.835 55.300 0.201 0.000 1.097 106 M CB -0.791 31.927 32.600 0.197 0.000 1.382 106 M HN 0.574 nan 8.290 nan 0.000 0.413 107 L N 1.142 122.377 121.223 0.021 0.000 2.042 107 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 107 L C 1.773 178.612 176.870 -0.052 0.000 1.076 107 L CA 2.031 56.822 54.840 -0.082 0.000 0.749 107 L CB -0.877 41.217 42.059 0.058 0.000 0.893 107 L HN 0.250 nan 8.230 nan 0.000 0.432 108 D N -0.631 119.813 120.400 0.074 0.000 2.178 108 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 108 D C 2.274 178.542 176.300 -0.053 0.000 0.974 108 D CA 1.530 55.562 54.000 0.055 0.000 0.841 108 D CB 0.023 40.900 40.800 0.128 0.000 0.953 108 D HN 0.425 nan 8.370 nan 0.000 0.478 109 L N 0.633 121.839 121.223 -0.028 0.000 2.162 109 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 109 L C 2.590 179.312 176.870 -0.247 0.000 1.086 109 L CA 0.594 55.413 54.840 -0.035 0.000 0.778 109 L CB -0.277 41.849 42.059 0.112 0.000 0.928 109 L HN -0.076 nan 8.230 nan 0.000 0.446 110 A N -0.045 122.445 122.820 -0.550 0.000 1.933 110 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 110 A C 2.065 179.143 177.584 -0.843 0.000 1.175 110 A CA 2.151 53.569 52.037 -1.032 0.000 0.628 110 A CB -0.720 17.188 19.000 -1.821 0.000 0.814 110 A HN 0.471 nan 8.150 nan 0.000 0.444 111 T N -6.378 107.768 114.554 -0.679 0.000 3.215 111 T HA 0.365 4.714 4.350 -0.000 0.000 0.271 111 T C 0.132 174.448 174.700 -0.640 0.000 1.012 111 T CA 0.135 61.809 62.100 -0.711 0.000 0.899 111 T CB -0.546 68.190 68.868 -0.219 0.000 1.089 111 T HN 0.700 nan 8.240 nan 0.000 0.552 112 Y N 0.422 120.597 120.300 -0.209 0.000 4.490 112 Y HA -0.262 4.288 4.550 -0.000 0.000 0.233 112 Y C 1.321 177.062 175.900 -0.264 0.000 1.101 112 Y CA 0.582 58.556 58.100 -0.209 0.000 2.010 112 Y CB -3.126 35.227 38.460 -0.178 0.000 1.622 112 Y HN 0.633 nan 8.280 nan 0.000 0.675 113 T N -4.280 110.138 114.554 -0.228 0.000 3.129 113 T HA 0.661 5.010 4.350 -0.000 0.000 0.267 113 T C 1.640 176.294 174.700 -0.078 0.000 1.018 113 T CA 0.246 62.167 62.100 -0.299 0.000 0.903 113 T CB 0.417 68.805 68.868 -0.801 0.000 1.067 113 T HN 0.496 nan 8.240 nan 0.000 0.549 114 A N 1.673 124.493 122.820 -0.001 0.000 2.024 114 A HA 0.431 4.751 4.320 -0.000 0.000 0.220 114 A C 1.978 179.695 177.584 0.221 0.000 1.164 114 A CA 1.098 53.181 52.037 0.076 0.000 0.643 114 A CB -1.029 17.954 19.000 -0.028 0.000 0.806 114 A HN 1.577 nan 8.150 nan 0.000 0.451 115 G N -3.816 105.141 108.800 0.261 0.000 2.188 115 G HA2 0.428 4.388 3.960 -0.000 0.000 0.112 115 G HA3 0.428 4.388 3.960 -0.000 0.000 0.112 115 G C 0.975 176.289 174.900 0.690 0.000 1.048 115 G CA 0.407 45.763 45.100 0.426 0.000 0.720 115 G HN 2.020 nan 8.290 nan 0.000 0.487 116 G N -0.852 108.298 108.800 0.584 0.000 2.145 116 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.145 116 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.145 116 G C 0.378 175.591 174.900 0.523 0.000 1.017 116 G CA -0.097 45.407 45.100 0.672 0.000 0.682 116 G HN 1.154 nan 8.290 nan 0.000 0.504 117 L N 2.288 123.591 121.223 0.133 0.000 2.490 117 L HA 0.266 4.606 4.340 -0.000 0.000 0.274 117 L C -0.769 176.151 176.870 0.083 0.000 1.201 117 L CA -1.301 53.421 54.840 -0.196 0.000 0.869 117 L CB 0.439 42.298 42.059 -0.333 0.000 1.123 117 L HN 0.099 nan 8.230 nan 0.000 0.484 118 P HA -0.061 nan 4.420 nan 0.000 0.272 118 P C 0.586 177.951 177.300 0.108 0.000 1.230 118 P CA -0.521 62.683 63.100 0.172 0.000 0.788 118 P CB 0.948 32.779 31.700 0.219 0.000 0.949 119 L N 0.123 121.398 121.223 0.087 0.000 2.043 119 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 119 L C 0.895 177.794 176.870 0.048 0.000 1.075 119 L CA 2.084 56.957 54.840 0.056 0.000 0.752 119 L CB -0.668 41.434 42.059 0.071 0.000 0.891 119 L HN 0.378 nan 8.230 nan 0.000 0.432 120 Q N -1.023 118.807 119.800 0.050 0.000 2.394 120 Q HA 0.378 4.718 4.340 -0.000 0.000 0.273 120 Q C -0.963 175.033 176.000 -0.007 0.000 1.089 120 Q CA -0.846 54.974 55.803 0.028 0.000 0.812 120 Q CB 2.123 30.858 28.738 -0.005 0.000 1.353 120 Q HN -0.158 nan 8.270 nan 0.000 0.438 121 V N 3.539 123.438 119.914 -0.024 0.000 2.479 121 V HA 0.106 4.226 4.120 -0.000 0.000 0.281 121 V C -2.024 173.915 176.094 -0.258 0.000 1.031 121 V CA -1.138 61.043 62.300 -0.197 0.000 1.038 121 V CB 0.323 32.100 31.823 -0.078 0.000 0.981 121 V HN 0.565 nan 8.190 nan 0.000 0.478 122 P HA -0.042 nan 4.420 nan 0.000 0.257 122 P C 0.265 177.457 177.300 -0.181 0.000 1.162 122 P CA 0.074 63.008 63.100 -0.277 0.000 0.762 122 P CB 0.219 31.703 31.700 -0.359 0.000 0.753 123 D N 2.661 123.005 120.400 -0.093 0.000 2.404 123 D HA -0.157 4.483 4.640 -0.000 0.000 0.256 123 D C 0.503 176.778 176.300 -0.041 0.000 1.189 123 D CA 0.706 54.678 54.000 -0.045 0.000 0.965 123 D CB -0.501 40.286 40.800 -0.021 0.000 0.901 123 D HN 0.579 nan 8.370 nan 0.000 0.517 124 E N -0.882 119.276 120.200 -0.071 0.000 2.474 124 E HA 0.114 4.464 4.350 -0.000 0.000 0.215 124 E C 0.221 176.793 176.600 -0.046 0.000 0.867 124 E CA -0.346 56.026 56.400 -0.047 0.000 1.135 124 E CB 0.525 30.197 29.700 -0.047 0.000 1.147 124 E HN -0.014 nan 8.360 nan 0.000 0.534 125 V N 2.985 122.846 119.914 -0.088 0.000 2.397 125 V HA 0.050 4.170 4.120 -0.000 0.000 0.262 125 V C 0.566 176.652 176.094 -0.014 0.000 1.047 125 V CA 0.679 62.944 62.300 -0.058 0.000 1.003 125 V CB 0.549 32.291 31.823 -0.134 0.000 1.037 125 V HN 0.206 nan 8.190 nan 0.000 0.480 126 K N 2.936 123.343 120.400 0.012 0.000 2.447 126 K HA 0.252 4.572 4.320 -0.000 0.000 0.205 126 K C -0.429 176.190 176.600 0.033 0.000 1.059 126 K CA -0.108 56.192 56.287 0.021 0.000 1.065 126 K CB 0.725 33.236 32.500 0.018 0.000 0.885 126 K HN 0.922 nan 8.250 nan 0.000 0.545 127 D N -2.224 118.205 120.400 0.049 0.000 2.643 127 D HA 0.006 4.646 4.640 -0.000 0.000 0.283 127 D C 0.278 176.634 176.300 0.093 0.000 1.242 127 D CA -0.795 53.240 54.000 0.059 0.000 0.863 127 D CB 0.386 41.217 40.800 0.051 0.000 1.382 127 D HN -0.213 nan 8.370 nan 0.000 0.444 128 N N -0.283 118.475 118.700 0.096 0.000 2.069 128 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 128 N C 1.758 177.377 175.510 0.181 0.000 1.031 128 N CA 2.524 55.659 53.050 0.142 0.000 0.852 128 N CB -0.289 38.270 38.487 0.119 0.000 1.018 128 N HN 0.499 nan 8.380 nan 0.000 0.423 129 A N -0.435 122.463 122.820 0.129 0.000 1.930 129 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 129 A C 2.310 179.974 177.584 0.133 0.000 1.175 129 A CA 1.997 54.105 52.037 0.117 0.000 0.627 129 A CB -0.958 18.088 19.000 0.078 0.000 0.815 129 A HN 0.554 nan 8.150 nan 0.000 0.443 130 S N -0.934 114.843 115.700 0.128 0.000 2.446 130 S HA -0.006 4.463 4.470 -0.000 0.000 0.225 130 S C 1.818 176.537 174.600 0.198 0.000 1.016 130 S CA 0.947 59.226 58.200 0.132 0.000 0.943 130 S CB -0.414 62.837 63.200 0.084 0.000 0.786 130 S HN 0.338 nan 8.310 nan 0.000 0.508 131 L N 1.210 122.576 121.223 0.239 0.000 2.017 131 L HA 0.110 4.450 4.340 -0.000 0.000 0.208 131 L C 2.292 179.496 176.870 0.557 0.000 1.073 131 L CA 1.620 56.692 54.840 0.386 0.000 0.745 131 L CB -0.905 41.384 42.059 0.383 0.000 0.894 131 L HN 0.433 nan 8.230 nan 0.000 0.432 132 L N 0.004 121.502 121.223 0.458 0.000 2.012 132 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 132 L C 2.758 179.705 176.870 0.128 0.000 1.073 132 L CA 2.280 57.257 54.840 0.229 0.000 0.748 132 L CB -0.828 41.255 42.059 0.040 0.000 0.891 132 L HN 0.447 nan 8.230 nan 0.000 0.431 133 R N -1.330 119.263 120.500 0.154 0.000 2.081 133 R HA -0.250 4.089 4.340 -0.000 0.000 0.235 133 R C 2.332 178.754 176.300 0.203 0.000 1.131 133 R CA 1.909 58.092 56.100 0.137 0.000 0.960 133 R CB -0.776 29.597 30.300 0.121 0.000 0.856 133 R HN 0.425 nan 8.270 nan 0.000 0.436 134 F N 0.788 120.776 119.950 0.064 0.000 2.069 134 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 134 F C 1.419 177.251 175.800 0.053 0.000 1.113 134 F CA 1.439 59.437 58.000 -0.004 0.000 1.214 134 F CB -0.776 38.130 39.000 -0.157 0.000 0.978 134 F HN 0.001 nan 8.300 nan 0.000 0.474 135 Y N 0.697 120.993 120.300 -0.008 0.000 2.242 135 Y HA -0.155 4.395 4.550 -0.000 0.000 0.291 135 Y C 2.625 178.717 175.900 0.321 0.000 1.137 135 Y CA 1.610 59.733 58.100 0.038 0.000 1.181 135 Y CB -0.938 37.553 38.460 0.051 0.000 0.989 135 Y HN 0.164 nan 8.280 nan 0.000 0.527 136 Q N -0.640 119.309 119.800 0.249 0.000 2.224 136 Q HA -0.134 4.205 4.340 -0.000 0.000 0.203 136 Q C 0.833 176.972 176.000 0.232 0.000 0.970 136 Q CA 1.062 56.991 55.803 0.210 0.000 0.865 136 Q CB -0.140 28.628 28.738 0.050 0.000 0.922 136 Q HN 0.348 nan 8.270 nan 0.000 0.445 137 N N -0.619 118.199 118.700 0.197 0.000 2.291 137 N HA 0.021 4.761 4.740 -0.000 0.000 0.244 137 N C -0.933 174.660 175.510 0.139 0.000 1.216 137 N CA -0.317 52.813 53.050 0.133 0.000 0.879 137 N CB 0.312 38.863 38.487 0.108 0.000 1.167 137 N HN 0.140 nan 8.380 nan 0.000 0.515 138 W N 2.257 123.541 121.300 -0.026 0.000 2.079 138 W HA 0.198 4.858 4.660 -0.000 0.000 0.354 138 W C -0.408 176.068 176.519 -0.072 0.000 1.302 138 W CA -0.078 57.187 57.345 -0.133 0.000 1.281 138 W CB 0.522 29.861 29.460 -0.201 0.000 1.165 138 W HN 0.085 nan 8.180 nan 0.000 0.603 139 Q N 4.166 123.498 119.800 -0.781 0.000 2.907 139 Q HA 0.342 4.681 4.340 -0.000 0.000 0.262 139 Q C -2.403 172.955 176.000 -1.069 0.000 0.997 139 Q CA -2.088 53.248 55.803 -0.777 0.000 0.797 139 Q CB 0.743 29.345 28.738 -0.227 0.000 1.228 139 Q HN 0.140 nan 8.270 nan 0.000 0.466 140 P HA -0.076 nan 4.420 nan 0.000 0.266 140 P C -0.272 176.738 177.300 -0.484 0.000 1.195 140 P CA 0.300 62.797 63.100 -1.004 0.000 0.768 140 P CB 0.983 32.005 31.700 -1.130 0.000 0.838 141 Q N 0.545 120.158 119.800 -0.311 0.000 2.280 141 Q HA 0.152 4.492 4.340 -0.000 0.000 0.244 141 Q C -0.131 175.422 176.000 -0.744 0.000 0.847 141 Q CA 0.414 55.860 55.803 -0.596 0.000 0.945 141 Q CB 0.632 28.826 28.738 -0.907 0.000 1.115 141 Q HN 0.558 nan 8.270 nan 0.000 0.513 142 W N 0.830 122.109 121.300 -0.034 0.000 2.962 142 W HA 0.434 5.094 4.660 -0.000 0.000 0.341 142 W C -0.197 176.307 176.519 -0.025 0.000 1.155 142 W CA -1.086 56.249 57.345 -0.017 0.000 1.165 142 W CB 1.027 30.493 29.460 0.009 0.000 1.435 142 W HN -0.219 nan 8.180 nan 0.000 0.546 143 K N 3.289 123.816 120.400 0.211 0.000 2.448 143 K HA 0.071 4.390 4.320 -0.000 0.000 0.278 143 K C -1.967 174.721 176.600 0.148 0.000 1.009 143 K CA -0.927 55.434 56.287 0.123 0.000 0.995 143 K CB 0.471 33.039 32.500 0.114 0.000 0.917 143 K HN -0.080 nan 8.250 nan 0.000 0.481 144 P HA -0.007 nan 4.420 nan 0.000 0.266 144 P C 0.126 177.520 177.300 0.156 0.000 1.195 144 P CA 0.502 63.681 63.100 0.132 0.000 0.768 144 P CB 0.409 32.178 31.700 0.115 0.000 0.838 145 G N 2.121 111.010 108.800 0.149 0.000 2.176 145 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 145 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 145 G C 0.513 175.574 174.900 0.268 0.000 1.024 145 G CA 0.614 45.881 45.100 0.278 0.000 0.755 145 G HN 0.773 nan 8.290 nan 0.000 0.507 146 T N -4.894 109.703 114.554 0.071 0.000 2.992 146 T HA 0.440 4.790 4.350 -0.000 0.000 0.255 146 T C 0.577 175.230 174.700 -0.078 0.000 0.938 146 T CA 1.198 63.349 62.100 0.084 0.000 0.895 146 T CB 1.111 70.052 68.868 0.122 0.000 1.221 146 T HN 0.636 nan 8.240 nan 0.000 0.512 147 T N 2.040 116.463 114.554 -0.219 0.000 2.881 147 T HA 0.557 4.906 4.350 -0.000 0.000 0.290 147 T C -1.124 173.322 174.700 -0.423 0.000 1.000 147 T CA -0.683 61.184 62.100 -0.388 0.000 0.978 147 T CB 2.627 71.079 68.868 -0.694 0.000 0.997 147 T HN 0.233 nan 8.240 nan 0.000 0.443 148 R N 2.920 123.186 120.500 -0.390 0.000 2.207 148 R HA 0.567 4.906 4.340 -0.000 0.000 0.334 148 R C -1.346 174.813 176.300 -0.235 0.000 1.013 148 R CA -0.736 55.193 56.100 -0.286 0.000 0.858 148 R CB 0.284 30.462 30.300 -0.202 0.000 1.094 148 R HN 0.419 nan 8.270 nan 0.000 0.457 149 L N 6.089 127.215 121.223 -0.162 0.000 2.342 149 L HA 0.273 4.613 4.340 -0.000 0.000 0.276 149 L C -1.319 175.492 176.870 -0.099 0.000 0.997 149 L CA -0.761 54.003 54.840 -0.126 0.000 0.838 149 L CB 0.962 42.956 42.059 -0.108 0.000 1.224 149 L HN 0.561 nan 8.230 nan 0.000 0.416 150 Y N 4.942 125.045 120.300 -0.328 0.000 2.717 150 Y HA 0.397 4.947 4.550 -0.000 0.000 0.330 150 Y C 0.033 175.716 175.900 -0.362 0.000 1.217 150 Y CA 0.848 58.545 58.100 -0.671 0.000 1.506 150 Y CB 0.544 38.683 38.460 -0.534 0.000 1.268 150 Y HN 0.823 nan 8.280 nan 0.000 0.561 151 A N 5.530 127.853 122.820 -0.829 0.000 2.511 151 A HA 0.249 4.569 4.320 -0.000 0.000 0.292 151 A C -0.075 177.392 177.584 -0.195 0.000 1.045 151 A CA -0.853 51.010 52.037 -0.289 0.000 0.870 151 A CB 0.454 19.426 19.000 -0.046 0.000 1.361 151 A HN 0.786 nan 8.150 nan 0.000 0.396 152 N N 1.563 120.198 118.700 -0.110 0.000 2.205 152 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 152 N C 1.881 177.450 175.510 0.098 0.000 1.015 152 N CA 1.762 54.828 53.050 0.027 0.000 0.862 152 N CB -0.153 38.418 38.487 0.141 0.000 0.986 152 N HN 0.868 nan 8.380 nan 0.000 0.429 153 A N -0.310 122.593 122.820 0.138 0.000 2.067 153 A HA -0.055 4.264 4.320 -0.000 0.000 0.219 153 A C 2.440 180.187 177.584 0.271 0.000 1.158 153 A CA 1.553 53.755 52.037 0.275 0.000 0.661 153 A CB -0.429 18.757 19.000 0.309 0.000 0.801 153 A HN 0.298 nan 8.150 nan 0.000 0.452 154 S N -0.792 114.995 115.700 0.146 0.000 2.315 154 S HA 0.057 4.527 4.470 -0.000 0.000 0.211 154 S C 1.845 176.488 174.600 0.071 0.000 1.029 154 S CA 0.889 59.151 58.200 0.103 0.000 0.956 154 S CB -0.341 62.934 63.200 0.125 0.000 0.918 154 S HN 0.512 nan 8.310 nan 0.000 0.470 155 I N 1.088 121.697 120.570 0.064 0.000 2.830 155 I HA 0.077 4.246 4.170 -0.000 0.000 0.263 155 I C 1.977 178.120 176.117 0.044 0.000 1.230 155 I CA 0.938 62.265 61.300 0.044 0.000 1.480 155 I CB -0.498 37.497 38.000 -0.008 0.000 1.095 155 I HN 0.472 nan 8.210 nan 0.000 0.455 156 G N 1.037 109.842 108.800 0.010 0.000 2.402 156 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.216 156 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.216 156 G C 1.498 176.331 174.900 -0.112 0.000 1.162 156 G CA 0.739 45.796 45.100 -0.073 0.000 0.777 156 G HN 0.393 nan 8.290 nan 0.000 0.539 157 L N -0.501 120.684 121.223 -0.063 0.000 2.179 157 L HA 0.272 4.612 4.340 -0.000 0.000 0.208 157 L C 2.353 179.103 176.870 -0.200 0.000 1.096 157 L CA 1.039 55.756 54.840 -0.205 0.000 0.779 157 L CB -0.594 41.254 42.059 -0.353 0.000 0.922 157 L HN 0.189 nan 8.230 nan 0.000 0.443 158 F N 0.654 120.486 119.950 -0.198 0.000 2.065 158 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 158 F C 2.181 177.864 175.800 -0.196 0.000 1.112 158 F CA 1.880 59.767 58.000 -0.189 0.000 1.212 158 F CB -1.087 37.810 39.000 -0.171 0.000 0.975 158 F HN 0.116 nan 8.300 nan 0.000 0.476 159 G N -0.361 108.224 108.800 -0.360 0.000 2.446 159 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 159 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 159 G C 1.828 176.522 174.900 -0.343 0.000 1.168 159 G CA 1.123 45.979 45.100 -0.407 0.000 0.771 159 G HN 0.681 nan 8.290 nan 0.000 0.551 160 A N 0.404 123.020 122.820 -0.339 0.000 1.898 160 A HA 0.133 4.452 4.320 -0.000 0.000 0.216 160 A C 2.451 179.832 177.584 -0.338 0.000 1.181 160 A CA 1.286 53.146 52.037 -0.295 0.000 0.620 160 A CB -0.356 18.448 19.000 -0.327 0.000 0.819 160 A HN 0.358 nan 8.150 nan 0.000 0.442 161 L N -0.945 120.034 121.223 -0.408 0.000 2.109 161 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 161 L C 2.981 179.602 176.870 -0.414 0.000 1.086 161 L CA 0.877 55.490 54.840 -0.377 0.000 0.760 161 L CB -0.562 41.301 42.059 -0.327 0.000 0.910 161 L HN 0.410 nan 8.230 nan 0.000 0.437 162 A N -0.480 121.978 122.820 -0.603 0.000 2.070 162 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 162 A C 2.024 179.397 177.584 -0.352 0.000 1.159 162 A CA 1.282 52.938 52.037 -0.635 0.000 0.656 162 A CB -0.403 18.026 19.000 -0.952 0.000 0.800 162 A HN 0.261 nan 8.150 nan 0.000 0.453 163 V N -0.857 118.901 119.914 -0.261 0.000 3.621 163 V HA 0.025 4.144 4.120 -0.000 0.000 0.285 163 V C 1.841 177.863 176.094 -0.121 0.000 1.346 163 V CA 0.669 62.869 62.300 -0.166 0.000 1.104 163 V CB -0.141 31.602 31.823 -0.133 0.000 0.913 163 V HN 0.480 nan 8.190 nan 0.000 0.432 164 K N 0.898 121.229 120.400 -0.114 0.000 2.097 164 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 164 K C -0.310 176.282 176.600 -0.014 0.000 1.050 164 K CA 1.379 57.628 56.287 -0.063 0.000 0.938 164 K CB -0.810 31.655 32.500 -0.060 0.000 0.718 164 K HN 0.433 nan 8.250 nan 0.000 0.442 165 P HA -0.127 nan 4.420 nan 0.000 0.218 165 P C 1.162 178.462 177.300 -0.001 0.000 1.149 165 P CA 1.299 64.422 63.100 0.039 0.000 0.817 165 P CB 0.076 31.831 31.700 0.090 0.000 0.785 166 S N -1.581 114.103 115.700 -0.027 0.000 2.515 166 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 166 S C 1.632 176.207 174.600 -0.043 0.000 0.987 166 S CA 0.539 58.715 58.200 -0.039 0.000 0.936 166 S CB -1.447 61.716 63.200 -0.062 0.000 0.766 166 S HN 0.284 nan 8.310 nan 0.000 0.528 167 G N 1.053 109.828 108.800 -0.041 0.000 2.221 167 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.265 167 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.265 167 G C -0.180 174.688 174.900 -0.054 0.000 1.041 167 G CA 0.653 45.728 45.100 -0.041 0.000 0.807 167 G HN 0.539 nan 8.290 nan 0.000 0.502 168 M N 0.234 119.791 119.600 -0.071 0.000 2.644 168 M HA 0.515 4.994 4.480 -0.000 0.000 0.304 168 M C 0.811 177.055 176.300 -0.093 0.000 1.215 168 M CA -0.546 54.702 55.300 -0.086 0.000 0.871 168 M CB 2.239 34.773 32.600 -0.110 0.000 1.740 168 M HN 0.426 nan 8.290 nan 0.000 0.464 169 S N 0.072 115.718 115.700 -0.091 0.000 2.624 169 S HA 0.136 4.606 4.470 -0.000 0.000 0.263 169 S C 0.637 175.176 174.600 -0.101 0.000 1.287 169 S CA -0.404 57.751 58.200 -0.076 0.000 0.990 169 S CB 0.661 63.826 63.200 -0.059 0.000 0.950 169 S HN 0.763 nan 8.310 nan 0.000 0.561 170 Y N 0.831 121.035 120.300 -0.159 0.000 2.114 170 Y HA -0.138 4.412 4.550 -0.000 0.000 0.284 170 Y C 2.580 178.367 175.900 -0.188 0.000 1.143 170 Y CA 2.293 60.284 58.100 -0.182 0.000 1.135 170 Y CB -0.576 37.774 38.460 -0.184 0.000 0.980 170 Y HN 0.974 nan 8.280 nan 0.000 0.499 171 E N -0.144 119.952 120.200 -0.174 0.000 2.070 171 E HA -0.370 3.980 4.350 -0.000 0.000 0.197 171 E C 2.350 178.765 176.600 -0.307 0.000 1.004 171 E CA 1.783 58.042 56.400 -0.236 0.000 0.805 171 E CB -0.354 29.307 29.700 -0.065 0.000 0.744 171 E HN 0.731 nan 8.360 nan 0.000 0.451 172 Q N -0.032 119.634 119.800 -0.224 0.000 2.050 172 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 172 Q C 2.105 177.941 176.000 -0.273 0.000 0.980 172 Q CA 1.491 57.174 55.803 -0.199 0.000 0.840 172 Q CB -0.211 28.448 28.738 -0.133 0.000 0.898 172 Q HN 0.345 nan 8.270 nan 0.000 0.424 173 A N 0.905 123.531 122.820 -0.323 0.000 1.858 173 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 173 A C 2.010 179.317 177.584 -0.462 0.000 1.190 173 A CA 1.481 53.316 52.037 -0.337 0.000 0.617 173 A CB -0.748 18.066 19.000 -0.310 0.000 0.827 173 A HN 0.529 nan 8.150 nan 0.000 0.443 174 I N -0.352 119.774 120.570 -0.739 0.000 2.394 174 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 174 I C 2.339 177.869 176.117 -0.978 0.000 1.136 174 I CA 2.119 62.889 61.300 -0.884 0.000 1.425 174 I CB -0.252 37.025 38.000 -1.206 0.000 1.079 174 I HN 0.308 nan 8.210 nan 0.000 0.425 175 T N -0.557 113.525 114.554 -0.786 0.000 2.737 175 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 175 T C 1.839 176.369 174.700 -0.283 0.000 1.038 175 T CA 2.085 63.878 62.100 -0.512 0.000 1.144 175 T CB -0.433 68.309 68.868 -0.210 0.000 0.866 175 T HN 0.352 nan 8.240 nan 0.000 0.434 176 T N 1.643 116.049 114.554 -0.246 0.000 2.812 176 T HA 0.006 4.356 4.350 -0.000 0.000 0.264 176 T C 2.060 176.680 174.700 -0.132 0.000 1.042 176 T CA 0.751 62.758 62.100 -0.154 0.000 1.140 176 T CB 0.002 68.787 68.868 -0.138 0.000 0.870 176 T HN 0.295 nan 8.240 nan 0.000 0.445 177 R N -0.026 120.371 120.500 -0.171 0.000 2.265 177 R HA 0.265 4.605 4.340 -0.000 0.000 0.194 177 R C 1.599 177.860 176.300 -0.064 0.000 0.931 177 R CA 0.469 56.505 56.100 -0.106 0.000 1.032 177 R CB 0.186 30.421 30.300 -0.108 0.000 0.980 177 R HN 0.296 nan 8.270 nan 0.000 0.497 178 V N -0.412 119.430 119.914 -0.121 0.000 3.134 178 V HA 0.012 4.132 4.120 -0.000 0.000 0.222 178 V C 1.657 177.818 176.094 0.112 0.000 1.247 178 V CA 0.424 62.733 62.300 0.016 0.000 1.281 178 V CB -0.382 31.459 31.823 0.030 0.000 1.169 178 V HN -0.091 nan 8.190 nan 0.000 0.512 179 F N 1.585 121.474 119.950 -0.103 0.000 2.046 179 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 179 F C 2.449 178.177 175.800 -0.121 0.000 1.123 179 F CA 1.206 59.109 58.000 -0.161 0.000 1.199 179 F CB -1.139 37.671 39.000 -0.316 0.000 0.972 179 F HN 0.083 nan 8.300 nan 0.000 0.474 180 K N -0.135 120.307 120.400 0.070 0.000 2.026 180 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 180 K C -0.125 176.485 176.600 0.017 0.000 1.048 180 K CA 1.305 57.597 56.287 0.008 0.000 0.929 180 K CB -2.060 30.426 32.500 -0.024 0.000 0.713 180 K HN 0.233 nan 8.250 nan 0.000 0.439 181 P HA -0.084 nan 4.420 nan 0.000 0.218 181 P C 1.126 178.459 177.300 0.054 0.000 1.148 181 P CA 1.030 64.149 63.100 0.031 0.000 0.822 181 P CB 0.047 31.767 31.700 0.033 0.000 0.784 182 L N -1.275 120.006 121.223 0.095 0.000 2.591 182 L HA 0.110 4.450 4.340 -0.000 0.000 0.228 182 L C 0.394 177.313 176.870 0.082 0.000 1.133 182 L CA 0.153 55.065 54.840 0.120 0.000 0.880 182 L CB -0.524 41.675 42.059 0.233 0.000 1.033 182 L HN -0.013 nan 8.230 nan 0.000 0.450 183 K N -0.163 120.261 120.400 0.039 0.000 3.160 183 K HA -0.181 4.138 4.320 -0.000 0.000 0.280 183 K C -0.105 176.478 176.600 -0.029 0.000 1.154 183 K CA 0.709 56.995 56.287 -0.002 0.000 0.822 183 K CB -2.438 30.067 32.500 0.008 0.000 1.239 183 K HN 0.373 nan 8.250 nan 0.000 0.489 184 L N 1.853 123.050 121.223 -0.043 0.000 2.387 184 L HA 0.111 4.450 4.340 -0.000 0.000 0.267 184 L C 1.039 177.688 176.870 -0.369 0.000 1.197 184 L CA -0.146 54.596 54.840 -0.163 0.000 1.070 184 L CB 0.157 42.125 42.059 -0.152 0.000 1.349 184 L HN 0.027 nan 8.230 nan 0.000 0.422 185 D N -0.200 119.981 120.400 -0.364 0.000 2.350 185 D HA 0.013 4.652 4.640 -0.000 0.000 0.213 185 D C 0.813 176.456 176.300 -1.094 0.000 1.031 185 D CA 0.709 54.349 54.000 -0.600 0.000 0.861 185 D CB 0.496 41.047 40.800 -0.414 0.000 0.926 185 D HN 0.527 nan 8.370 nan 0.000 0.520 186 H N -0.114 118.560 119.070 -0.659 0.000 2.587 186 H HA 0.265 4.820 4.556 -0.000 0.000 0.245 186 H C -0.315 174.449 175.328 -0.941 0.000 1.238 186 H CA -0.014 55.665 56.048 -0.616 0.000 0.963 186 H CB 0.557 30.186 29.762 -0.221 0.000 1.904 186 H HN -0.176 nan 8.280 nan 0.000 0.584 187 T N 0.983 114.636 114.554 -1.502 0.000 2.881 187 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 187 T C -0.932 172.736 174.700 -1.721 0.000 1.000 187 T CA -0.542 60.712 62.100 -1.409 0.000 0.978 187 T CB 1.472 69.451 68.868 -1.482 0.000 0.997 187 T HN 0.270 nan 8.240 nan 0.000 0.443 188 W N 2.283 123.210 121.300 -0.622 0.000 3.167 188 W HA 0.546 5.206 4.660 -0.000 0.000 0.324 188 W C 0.395 176.784 176.519 -0.218 0.000 1.230 188 W CA -0.971 56.174 57.345 -0.333 0.000 1.184 188 W CB 0.766 30.052 29.460 -0.290 0.000 1.414 188 W HN 0.320 nan 8.180 nan 0.000 0.551 189 I N 1.372 122.061 120.570 0.199 0.000 2.494 189 I HA 0.019 4.188 4.170 -0.000 0.000 0.250 189 I C -0.164 175.969 176.117 0.027 0.000 1.112 189 I CA 0.815 62.165 61.300 0.084 0.000 1.438 189 I CB -0.807 37.243 38.000 0.083 0.000 1.111 189 I HN 0.439 nan 8.210 nan 0.000 0.431 190 N N 0.614 119.334 118.700 0.034 0.000 2.442 190 N HA 0.275 5.015 4.740 -0.000 0.000 0.274 190 N C -0.434 174.932 175.510 -0.240 0.000 1.002 190 N CA -0.243 52.758 53.050 -0.081 0.000 0.910 190 N CB 2.713 41.157 38.487 -0.071 0.000 1.244 190 N HN -0.046 nan 8.380 nan 0.000 0.492 191 V N 1.759 121.447 119.914 -0.376 0.000 2.470 191 V HA 0.468 4.588 4.120 -0.000 0.000 0.276 191 V C -2.197 173.517 176.094 -0.633 0.000 1.040 191 V CA -1.577 60.273 62.300 -0.750 0.000 1.008 191 V CB 0.040 31.422 31.823 -0.734 0.000 0.990 191 V HN 0.473 nan 8.190 nan 0.000 0.477 192 P HA 0.160 nan 4.420 nan 0.000 0.267 192 P C 0.733 177.822 177.300 -0.352 0.000 1.200 192 P CA -0.245 62.538 63.100 -0.528 0.000 0.772 192 P CB 0.492 31.834 31.700 -0.597 0.000 0.855 193 K N 2.354 122.625 120.400 -0.216 0.000 2.032 193 K HA -0.256 4.064 4.320 -0.000 0.000 0.218 193 K C 1.929 178.453 176.600 -0.126 0.000 1.054 193 K CA 2.308 58.513 56.287 -0.137 0.000 0.941 193 K CB -1.488 30.956 32.500 -0.094 0.000 0.720 193 K HN 0.566 nan 8.250 nan 0.000 0.449 194 A N 2.044 124.790 122.820 -0.124 0.000 1.940 194 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 194 A C 1.862 179.403 177.584 -0.072 0.000 1.190 194 A CA 2.021 54.007 52.037 -0.085 0.000 0.647 194 A CB -0.342 18.614 19.000 -0.072 0.000 0.821 194 A HN 0.345 nan 8.150 nan 0.000 0.457 195 E N -0.193 119.936 120.200 -0.118 0.000 2.481 195 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 195 E C 1.463 178.034 176.600 -0.049 0.000 1.047 195 E CA 0.416 56.791 56.400 -0.042 0.000 0.867 195 E CB -0.288 29.340 29.700 -0.120 0.000 0.858 195 E HN 0.778 nan 8.360 nan 0.000 0.513 196 E N 0.960 121.108 120.200 -0.087 0.000 2.333 196 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 196 E C 1.838 178.415 176.600 -0.037 0.000 1.007 196 E CA 0.729 57.109 56.400 -0.033 0.000 0.845 196 E CB -0.011 29.665 29.700 -0.041 0.000 0.766 196 E HN 0.184 nan 8.360 nan 0.000 0.507 197 A N 0.472 123.231 122.820 -0.101 0.000 2.015 197 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 197 A C 1.450 178.914 177.584 -0.199 0.000 1.163 197 A CA 1.258 53.196 52.037 -0.165 0.000 0.646 197 A CB -0.520 18.333 19.000 -0.245 0.000 0.806 197 A HN 0.279 nan 8.150 nan 0.000 0.448 198 H N -3.511 115.563 119.070 0.006 0.000 2.551 198 H HA 0.086 4.642 4.556 -0.000 0.000 0.266 198 H C -0.011 175.327 175.328 0.017 0.000 0.964 198 H CA 0.163 56.215 56.048 0.005 0.000 1.180 198 H CB 0.129 29.892 29.762 0.003 0.000 1.408 198 H HN 0.432 nan 8.280 nan 0.000 0.563 199 Y N 2.629 122.885 120.300 -0.073 0.000 2.584 199 Y HA 0.316 4.865 4.550 -0.000 0.000 0.351 199 Y C 0.209 176.000 175.900 -0.182 0.000 1.030 199 Y CA -1.863 56.134 58.100 -0.173 0.000 1.332 199 Y CB -1.058 37.229 38.460 -0.288 0.000 1.148 199 Y HN 0.119 nan 8.280 nan 0.000 0.528 200 A N 6.158 129.046 122.820 0.113 0.000 2.555 200 A HA 0.035 4.355 4.320 -0.000 0.000 0.233 200 A C -0.361 177.271 177.584 0.080 0.000 1.060 200 A CA -0.170 51.895 52.037 0.047 0.000 0.759 200 A CB 0.074 19.019 19.000 -0.092 0.000 0.995 200 A HN 0.872 nan 8.150 nan 0.000 0.506 201 W N 0.609 121.925 121.300 0.026 0.000 2.251 201 W HA 0.485 5.144 4.660 -0.000 0.000 0.329 201 W C 0.897 177.099 176.519 -0.528 0.000 1.234 201 W CA 0.450 57.616 57.345 -0.299 0.000 1.228 201 W CB 1.142 30.267 29.460 -0.559 0.000 1.135 201 W HN 0.934 nan 8.180 nan 0.000 0.576 202 G N 1.071 109.621 108.800 -0.416 0.000 2.451 202 G HA2 0.496 4.456 3.960 -0.000 0.000 0.303 202 G HA3 0.496 4.456 3.960 -0.000 0.000 0.303 202 G C -2.183 172.262 174.900 -0.758 0.000 1.166 202 G CA -0.500 44.042 45.100 -0.929 0.000 0.884 202 G HN 0.395 nan 8.290 nan 0.000 0.514 203 Y N 0.102 120.298 120.300 -0.173 0.000 2.326 203 Y HA 0.499 5.049 4.550 -0.000 0.000 0.331 203 Y C 1.038 176.913 175.900 -0.041 0.000 0.962 203 Y CA -0.788 57.266 58.100 -0.076 0.000 1.167 203 Y CB 2.437 40.862 38.460 -0.058 0.000 1.148 203 Y HN 0.647 nan 8.280 nan 0.000 0.463 204 R N 0.745 121.272 120.500 0.045 0.000 2.207 204 R HA 0.214 4.553 4.340 -0.000 0.000 0.184 204 R C -0.491 175.839 176.300 0.049 0.000 1.280 204 R CA 0.191 56.321 56.100 0.050 0.000 1.166 204 R CB 0.589 30.908 30.300 0.033 0.000 1.116 204 R HN 0.592 nan 8.270 nan 0.000 0.494 205 D N 0.007 120.425 120.400 0.029 0.000 2.863 205 D HA 0.210 4.850 4.640 -0.000 0.000 0.323 205 D C -0.299 176.013 176.300 0.020 0.000 1.286 205 D CA 0.438 54.452 54.000 0.024 0.000 0.921 205 D CB 1.187 41.994 40.800 0.012 0.000 1.024 205 D HN 0.738 nan 8.370 nan 0.000 0.505 206 G N 1.669 110.493 108.800 0.041 0.000 2.205 206 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.261 206 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.261 206 G C 0.460 175.382 174.900 0.037 0.000 0.980 206 G CA 0.189 45.309 45.100 0.033 0.000 0.632 206 G HN 0.363 nan 8.290 nan 0.000 0.533 207 K N 0.232 120.645 120.400 0.020 0.000 2.166 207 K HA 0.755 5.075 4.320 -0.000 0.000 0.245 207 K C 0.059 176.579 176.600 -0.133 0.000 0.967 207 K CA -0.185 56.070 56.287 -0.053 0.000 0.863 207 K CB 1.988 34.440 32.500 -0.080 0.000 1.107 207 K HN 0.465 nan 8.250 nan 0.000 0.436 208 A N 1.555 124.179 122.820 -0.327 0.000 2.276 208 A HA 0.512 4.832 4.320 -0.000 0.000 0.300 208 A C -0.286 177.047 177.584 -0.419 0.000 1.235 208 A CA -0.524 51.130 52.037 -0.639 0.000 0.867 208 A CB 0.058 18.432 19.000 -1.043 0.000 1.137 208 A HN 0.492 nan 8.150 nan 0.000 0.527 209 V N 0.397 120.196 119.914 -0.192 0.000 3.078 209 V HA 0.748 4.868 4.120 -0.000 0.000 0.311 209 V C -0.831 175.366 176.094 0.171 0.000 1.138 209 V CA -0.934 61.376 62.300 0.016 0.000 1.007 209 V CB 1.813 33.651 31.823 0.024 0.000 1.045 209 V HN 0.863 nan 8.190 nan 0.000 0.432 210 H N 0.402 119.620 119.070 0.247 0.000 2.731 210 H HA 0.668 5.224 4.556 -0.000 0.000 0.368 210 H C -0.258 175.186 175.328 0.194 0.000 1.168 210 H CA -0.726 55.428 56.048 0.177 0.000 1.181 210 H CB 2.212 31.956 29.762 -0.029 0.000 1.743 210 H HN 0.799 nan 8.280 nan 0.000 0.547 211 V N 1.710 121.833 119.914 0.348 0.000 2.901 211 V HA 0.059 4.179 4.120 -0.000 0.000 0.307 211 V C 0.049 176.275 176.094 0.219 0.000 1.084 211 V CA 0.323 62.780 62.300 0.262 0.000 1.184 211 V CB 0.587 32.569 31.823 0.265 0.000 0.941 211 V HN 0.795 nan 8.190 nan 0.000 0.493 212 S N 7.118 122.930 115.700 0.186 0.000 2.585 212 S HA 0.560 5.029 4.470 -0.000 0.000 0.277 212 S C -2.395 172.307 174.600 0.169 0.000 1.241 212 S CA -0.775 57.515 58.200 0.151 0.000 1.041 212 S CB 1.309 64.576 63.200 0.112 0.000 0.987 212 S HN 0.862 nan 8.310 nan 0.000 0.512 213 P HA 0.492 nan 4.420 nan 0.000 0.275 213 P C -0.293 177.079 177.300 0.121 0.000 1.228 213 P CA -0.296 62.867 63.100 0.106 0.000 0.786 213 P CB 0.504 32.240 31.700 0.060 0.000 0.927 214 G N 1.414 110.285 108.800 0.118 0.000 2.704 214 G HA2 0.489 4.449 3.960 -0.000 0.000 0.293 214 G HA3 0.489 4.449 3.960 -0.000 0.000 0.293 214 G C -0.777 174.150 174.900 0.046 0.000 1.421 214 G CA -0.776 44.397 45.100 0.122 0.000 0.870 214 G HN 0.278 nan 8.290 nan 0.000 0.492 215 M N 1.374 120.995 119.600 0.035 0.000 2.251 215 M HA 0.124 4.604 4.480 -0.000 0.000 0.343 215 M C 1.069 177.361 176.300 -0.013 0.000 1.245 215 M CA 0.556 55.862 55.300 0.011 0.000 1.061 215 M CB -0.245 32.375 32.600 0.034 0.000 1.723 215 M HN 0.690 nan 8.290 nan 0.000 0.449 216 L N 1.522 122.698 121.223 -0.079 0.000 4.040 216 L HA -0.330 4.010 4.340 -0.000 0.000 0.410 216 L C 0.931 177.601 176.870 -0.334 0.000 1.187 216 L CA 0.518 55.259 54.840 -0.164 0.000 0.956 216 L CB -2.030 39.982 42.059 -0.078 0.000 2.022 216 L HN 0.701 nan 8.230 nan 0.000 0.897 217 D N 0.442 120.582 120.400 -0.433 0.000 2.097 217 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 217 D C 2.001 177.876 176.300 -0.709 0.000 0.984 217 D CA 1.395 54.809 54.000 -0.977 0.000 0.826 217 D CB -0.142 40.245 40.800 -0.689 0.000 0.973 217 D HN 0.449 nan 8.370 nan 0.000 0.460 218 A N 1.133 123.727 122.820 -0.377 0.000 1.859 218 A HA -0.281 4.038 4.320 -0.000 0.000 0.217 218 A C 2.168 179.525 177.584 -0.379 0.000 1.198 218 A CA 2.323 54.236 52.037 -0.208 0.000 0.629 218 A CB -0.886 18.122 19.000 0.013 0.000 0.830 218 A HN 0.231 nan 8.150 nan 0.000 0.446 219 E N -0.302 119.482 120.200 -0.693 0.000 2.110 219 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 219 E C 2.022 178.396 176.600 -0.376 0.000 0.988 219 E CA 1.466 57.356 56.400 -0.849 0.000 0.804 219 E CB -0.304 28.934 29.700 -0.770 0.000 0.745 219 E HN 0.618 nan 8.360 nan 0.000 0.458 220 A N -0.411 122.229 122.820 -0.301 0.000 1.993 220 A HA 0.088 4.407 4.320 -0.000 0.000 0.207 220 A C 0.987 178.625 177.584 0.090 0.000 1.224 220 A CA 0.792 52.785 52.037 -0.072 0.000 0.749 220 A CB -0.004 19.021 19.000 0.042 0.000 0.884 220 A HN 0.424 nan 8.150 nan 0.000 0.467 221 Y N -4.112 116.188 120.300 -0.000 0.000 2.954 221 Y HA 0.478 5.028 4.550 -0.000 0.000 0.267 221 Y C 0.928 176.841 175.900 0.022 0.000 1.093 221 Y CA -0.394 57.726 58.100 0.034 0.000 1.257 221 Y CB -0.395 38.097 38.460 0.052 0.000 1.317 221 Y HN 0.012 nan 8.280 nan 0.000 0.587 222 G N 0.899 109.609 108.800 -0.149 0.000 3.189 222 G HA2 0.347 4.307 3.960 -0.000 0.000 0.225 222 G HA3 0.347 4.307 3.960 -0.000 0.000 0.225 222 G C -0.173 174.699 174.900 -0.046 0.000 1.159 222 G CA 0.065 45.115 45.100 -0.083 0.000 0.763 222 G HN 0.117 nan 8.290 nan 0.000 0.549 223 V N 0.391 120.276 119.914 -0.050 0.000 2.649 223 V HA 0.392 4.512 4.120 -0.000 0.000 0.292 223 V C -0.161 175.836 176.094 -0.162 0.000 1.055 223 V CA -0.321 61.895 62.300 -0.139 0.000 1.023 223 V CB 1.362 33.026 31.823 -0.263 0.000 0.992 223 V HN 0.174 nan 8.190 nan 0.000 0.480 224 K N 2.589 122.853 120.400 -0.226 0.000 2.397 224 K HA 0.762 5.082 4.320 -0.000 0.000 0.253 224 K C -0.411 176.039 176.600 -0.251 0.000 0.932 224 K CA -0.459 55.679 56.287 -0.248 0.000 0.795 224 K CB 2.259 34.511 32.500 -0.412 0.000 1.159 224 K HN 0.910 nan 8.250 nan 0.000 0.424 225 T N -1.047 113.410 114.554 -0.161 0.000 2.778 225 T HA 0.474 4.823 4.350 -0.000 0.000 0.293 225 T C -0.825 173.888 174.700 0.022 0.000 1.144 225 T CA -1.220 60.789 62.100 -0.151 0.000 1.010 225 T CB 0.969 69.746 68.868 -0.151 0.000 1.325 225 T HN 0.609 nan 8.240 nan 0.000 0.515 226 N N -1.144 117.562 118.700 0.011 0.000 2.518 226 N HA 0.453 5.193 4.740 -0.000 0.000 0.284 226 N C 0.711 176.270 175.510 0.081 0.000 1.230 226 N CA -1.059 52.040 53.050 0.082 0.000 0.941 226 N CB 0.797 39.258 38.487 -0.043 0.000 1.219 226 N HN 0.353 nan 8.380 nan 0.000 0.560 227 V N -0.062 119.904 119.914 0.088 0.000 2.809 227 V HA -0.140 3.980 4.120 -0.000 0.000 0.256 227 V C 1.824 177.963 176.094 0.075 0.000 1.080 227 V CA 1.680 64.043 62.300 0.104 0.000 1.102 227 V CB -0.794 31.117 31.823 0.147 0.000 0.705 227 V HN 0.647 nan 8.190 nan 0.000 0.475 228 Q N -0.703 119.023 119.800 -0.124 0.000 2.020 228 Q HA -0.179 4.161 4.340 -0.000 0.000 0.198 228 Q C 1.987 178.019 176.000 0.055 0.000 0.974 228 Q CA 1.843 57.578 55.803 -0.113 0.000 0.829 228 Q CB -0.211 28.354 28.738 -0.290 0.000 0.894 228 Q HN 0.539 nan 8.270 nan 0.000 0.433 229 D N 0.137 120.543 120.400 0.009 0.000 2.149 229 D HA -0.137 4.502 4.640 -0.000 0.000 0.198 229 D C 1.757 178.144 176.300 0.145 0.000 0.990 229 D CA 1.005 55.025 54.000 0.034 0.000 0.839 229 D CB 0.009 40.755 40.800 -0.090 0.000 0.948 229 D HN 0.091 nan 8.370 nan 0.000 0.460 230 M N 0.405 120.102 119.600 0.160 0.000 2.117 230 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 230 M C 2.158 178.626 176.300 0.279 0.000 1.065 230 M CA 0.898 56.354 55.300 0.260 0.000 1.114 230 M CB -1.117 31.618 32.600 0.226 0.000 1.361 230 M HN 0.005 nan 8.290 nan 0.000 0.408 231 A N -0.938 122.027 122.820 0.242 0.000 1.883 231 A HA -0.192 4.127 4.320 -0.000 0.000 0.217 231 A C 2.447 180.107 177.584 0.126 0.000 1.186 231 A CA 2.533 54.685 52.037 0.192 0.000 0.624 231 A CB -1.187 17.969 19.000 0.260 0.000 0.822 231 A HN 0.538 nan 8.150 nan 0.000 0.444 232 S N -1.654 114.139 115.700 0.156 0.000 2.399 232 S HA -0.195 4.275 4.470 -0.000 0.000 0.231 232 S C 1.792 176.489 174.600 0.162 0.000 1.022 232 S CA 1.364 59.635 58.200 0.118 0.000 0.983 232 S CB -0.539 62.731 63.200 0.118 0.000 0.803 232 S HN 0.729 nan 8.310 nan 0.000 0.480 233 W N 1.543 122.864 121.300 0.035 0.000 2.358 233 W HA -0.139 4.520 4.660 -0.000 0.000 0.303 233 W C 1.698 178.183 176.519 -0.057 0.000 1.208 233 W CA 1.317 58.680 57.345 0.031 0.000 1.274 233 W CB -0.288 29.226 29.460 0.090 0.000 1.138 233 W HN 0.190 nan 8.180 nan 0.000 0.515 234 V N 1.930 121.801 119.914 -0.072 0.000 2.343 234 V HA -0.362 3.758 4.120 -0.000 0.000 0.247 234 V C 2.422 178.197 176.094 -0.532 0.000 1.051 234 V CA 2.278 64.341 62.300 -0.395 0.000 1.036 234 V CB -0.890 30.830 31.823 -0.171 0.000 0.654 234 V HN 0.197 nan 8.190 nan 0.000 0.451 235 M N -0.354 119.074 119.600 -0.287 0.000 2.065 235 M HA -0.167 4.312 4.480 -0.000 0.000 0.259 235 M C 2.212 178.322 176.300 -0.317 0.000 1.069 235 M CA 1.845 56.982 55.300 -0.272 0.000 1.110 235 M CB -0.633 31.881 32.600 -0.143 0.000 1.328 235 M HN 0.252 nan 8.290 nan 0.000 0.405 236 V N 0.626 120.381 119.914 -0.266 0.000 2.343 236 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 236 V C 1.958 177.803 176.094 -0.414 0.000 1.051 236 V CA 1.791 63.933 62.300 -0.264 0.000 1.036 236 V CB -1.091 30.642 31.823 -0.149 0.000 0.654 236 V HN 0.513 nan 8.190 nan 0.000 0.451 237 N N -0.179 118.126 118.700 -0.658 0.000 2.289 237 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 237 N C 1.799 176.883 175.510 -0.711 0.000 1.016 237 N CA 1.727 54.339 53.050 -0.729 0.000 0.872 237 N CB -0.115 37.809 38.487 -0.940 0.000 0.973 237 N HN 0.527 nan 8.380 nan 0.000 0.433 238 M N 0.211 119.311 119.600 -0.832 0.000 2.506 238 M HA 0.021 4.500 4.480 -0.000 0.000 0.260 238 M C 0.137 176.243 176.300 -0.324 0.000 1.104 238 M CA 1.183 56.106 55.300 -0.628 0.000 1.112 238 M CB 0.488 32.645 32.600 -0.738 0.000 1.401 238 M HN -0.255 nan 8.290 nan 0.000 0.473 239 K N 0.139 120.367 120.400 -0.287 0.000 3.050 239 K HA 0.265 4.585 4.320 -0.000 0.000 0.185 239 K C -2.454 174.047 176.600 -0.165 0.000 1.147 239 K CA -1.064 55.111 56.287 -0.187 0.000 0.916 239 K CB 1.103 33.507 32.500 -0.159 0.000 1.119 239 K HN -0.064 nan 8.250 nan 0.000 0.605 240 P HA -0.151 nan 4.420 nan 0.000 0.222 240 P C 0.344 177.596 177.300 -0.080 0.000 1.147 240 P CA 0.946 63.973 63.100 -0.122 0.000 0.790 240 P CB 0.200 31.835 31.700 -0.108 0.000 0.780 241 D N -0.446 119.908 120.400 -0.077 0.000 2.309 241 D HA -0.076 4.564 4.640 -0.000 0.000 0.212 241 D C 0.392 176.664 176.300 -0.047 0.000 0.968 241 D CA 0.911 54.877 54.000 -0.057 0.000 0.882 241 D CB -0.467 40.299 40.800 -0.057 0.000 0.918 241 D HN 0.267 nan 8.370 nan 0.000 0.503 242 S N -0.139 115.529 115.700 -0.053 0.000 2.514 242 S HA 0.439 4.909 4.470 -0.000 0.000 0.179 242 S C 0.397 174.974 174.600 -0.039 0.000 1.409 242 S CA -0.796 57.377 58.200 -0.045 0.000 1.138 242 S CB 0.541 63.709 63.200 -0.053 0.000 1.217 242 S HN 0.239 nan 8.310 nan 0.000 0.493 243 L N 0.005 121.211 121.223 -0.030 0.000 3.358 243 L HA 0.390 4.730 4.340 -0.000 0.000 0.169 243 L C -0.999 175.864 176.870 -0.011 0.000 1.158 243 L CA -0.005 54.823 54.840 -0.020 0.000 0.861 243 L CB 0.165 42.212 42.059 -0.020 0.000 1.597 243 L HN 0.450 nan 8.230 nan 0.000 0.580 244 Q N 1.773 121.568 119.800 -0.008 0.000 2.913 244 Q HA -0.106 4.234 4.340 -0.000 0.000 0.133 244 Q C -1.330 174.671 176.000 0.002 0.000 1.532 244 Q CA 1.249 57.049 55.803 -0.004 0.000 0.409 244 Q CB -0.795 27.939 28.738 -0.007 0.000 0.617 244 Q HN 0.716 nan 8.270 nan 0.000 0.320 245 D N 2.035 122.437 120.400 0.004 0.000 3.018 245 D HA 0.067 4.707 4.640 -0.000 0.000 0.118 245 D C 0.522 176.827 176.300 0.008 0.000 0.909 245 D CA -0.034 53.970 54.000 0.006 0.000 1.752 245 D CB -0.189 40.617 40.800 0.011 0.000 1.961 245 D HN 0.355 nan 8.370 nan 0.000 0.856 246 N N 0.859 119.562 118.700 0.005 0.000 2.091 246 N HA -0.211 4.529 4.740 -0.000 0.000 0.193 246 N C 1.836 177.354 175.510 0.013 0.000 1.021 246 N CA 1.950 55.004 53.050 0.007 0.000 0.862 246 N CB -0.114 38.376 38.487 0.005 0.000 1.018 246 N HN 0.618 nan 8.380 nan 0.000 0.429 247 S N 0.702 116.411 115.700 0.016 0.000 2.368 247 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 247 S C 2.012 176.632 174.600 0.034 0.000 1.029 247 S CA 0.556 58.770 58.200 0.023 0.000 0.988 247 S CB -0.545 62.665 63.200 0.017 0.000 0.838 247 S HN 0.193 nan 8.310 nan 0.000 0.462 248 L N 2.231 123.474 121.223 0.033 0.000 2.027 248 L HA 0.123 4.462 4.340 -0.000 0.000 0.206 248 L C 2.729 179.626 176.870 0.045 0.000 1.074 248 L CA 1.744 56.615 54.840 0.051 0.000 0.745 248 L CB -1.188 40.904 42.059 0.053 0.000 0.898 248 L HN 0.304 nan 8.230 nan 0.000 0.433 249 R N -0.049 120.466 120.500 0.024 0.000 2.083 249 R HA -0.240 4.099 4.340 -0.000 0.000 0.237 249 R C 2.424 178.732 176.300 0.013 0.000 1.137 249 R CA 2.118 58.221 56.100 0.006 0.000 0.951 249 R CB -0.265 30.034 30.300 -0.003 0.000 0.851 249 R HN 0.383 nan 8.270 nan 0.000 0.434 250 K N -0.905 119.509 120.400 0.023 0.000 2.057 250 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 250 K C 2.004 178.638 176.600 0.056 0.000 1.049 250 K CA 1.506 57.812 56.287 0.032 0.000 0.931 250 K CB -0.405 32.115 32.500 0.033 0.000 0.714 250 K HN 0.372 nan 8.250 nan 0.000 0.440 251 G N 0.891 109.733 108.800 0.069 0.000 2.422 251 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 251 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 251 G C 1.421 176.391 174.900 0.116 0.000 1.146 251 G CA 0.703 45.864 45.100 0.103 0.000 0.769 251 G HN 0.178 nan 8.290 nan 0.000 0.547 252 L N 0.339 121.609 121.223 0.078 0.000 2.046 252 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 252 L C 3.192 180.088 176.870 0.043 0.000 1.077 252 L CA 1.597 56.463 54.840 0.043 0.000 0.747 252 L CB -0.666 41.368 42.059 -0.041 0.000 0.896 252 L HN 0.158 nan 8.230 nan 0.000 0.432 253 T N -0.004 114.567 114.554 0.029 0.000 2.777 253 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 253 T C 1.944 176.683 174.700 0.065 0.000 1.040 253 T CA 1.055 63.167 62.100 0.020 0.000 1.141 253 T CB -0.188 68.681 68.868 0.002 0.000 0.868 253 T HN 0.179 nan 8.240 nan 0.000 0.444 254 L N 0.703 121.988 121.223 0.104 0.000 2.191 254 L HA -0.057 4.282 4.340 -0.000 0.000 0.212 254 L C 2.897 179.930 176.870 0.271 0.000 1.103 254 L CA 0.953 55.897 54.840 0.175 0.000 0.769 254 L CB -0.529 41.643 42.059 0.188 0.000 0.908 254 L HN 0.245 nan 8.230 nan 0.000 0.438 255 A N -0.955 122.015 122.820 0.249 0.000 1.968 255 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 255 A C 2.081 179.886 177.584 0.369 0.000 1.169 255 A CA 1.046 53.283 52.037 0.333 0.000 0.638 255 A CB -0.208 19.019 19.000 0.379 0.000 0.812 255 A HN 0.446 nan 8.150 nan 0.000 0.446 256 Q N 0.090 120.029 119.800 0.231 0.000 2.320 256 Q HA 0.185 4.525 4.340 -0.000 0.000 0.201 256 Q C -0.202 175.845 176.000 0.078 0.000 0.910 256 Q CA -0.312 55.572 55.803 0.135 0.000 0.946 256 Q CB 0.292 29.032 28.738 0.003 0.000 1.062 256 Q HN 0.504 nan 8.270 nan 0.000 0.503 257 S N 0.608 116.358 115.700 0.084 0.000 2.592 257 S HA 0.273 4.743 4.470 -0.000 0.000 0.271 257 S C -0.009 174.516 174.600 -0.125 0.000 1.326 257 S CA -0.279 57.862 58.200 -0.098 0.000 1.024 257 S CB 0.706 63.765 63.200 -0.236 0.000 0.921 257 S HN 0.222 nan 8.310 nan 0.000 0.527 258 R N 1.354 121.720 120.500 -0.225 0.000 2.207 258 R HA 0.256 4.596 4.340 -0.000 0.000 0.334 258 R C -0.418 175.768 176.300 -0.191 0.000 1.013 258 R CA -0.118 55.950 56.100 -0.053 0.000 0.858 258 R CB 0.486 30.767 30.300 -0.030 0.000 1.094 258 R HN 0.700 nan 8.270 nan 0.000 0.457 259 Y N 0.742 121.099 120.300 0.095 0.000 2.524 259 Y HA 0.176 4.726 4.550 -0.000 0.000 0.270 259 Y C 0.000 175.661 175.900 -0.400 0.000 1.094 259 Y CA 0.085 58.121 58.100 -0.107 0.000 1.276 259 Y CB 0.637 39.092 38.460 -0.008 0.000 1.130 259 Y HN 0.477 nan 8.280 nan 0.000 0.536 260 W N -0.506 120.940 121.300 0.244 0.000 3.167 260 W HA 0.574 5.234 4.660 -0.000 0.000 0.324 260 W C -0.729 175.853 176.519 0.106 0.000 1.230 260 W CA -1.288 56.145 57.345 0.147 0.000 1.184 260 W CB 1.065 30.594 29.460 0.115 0.000 1.414 260 W HN -0.545 nan 8.180 nan 0.000 0.551 261 R N 1.532 122.167 120.500 0.224 0.000 2.437 261 R HA 0.706 5.046 4.340 -0.000 0.000 0.310 261 R C -1.773 174.524 176.300 -0.005 0.000 0.955 261 R CA -0.594 55.447 56.100 -0.098 0.000 0.851 261 R CB 1.685 31.868 30.300 -0.196 0.000 1.161 261 R HN 0.465 nan 8.270 nan 0.000 0.446 262 V N 5.155 125.030 119.914 -0.065 0.000 2.380 262 V HA 0.367 4.487 4.120 -0.000 0.000 0.268 262 V C 0.814 176.870 176.094 -0.063 0.000 1.008 262 V CA 0.248 62.535 62.300 -0.021 0.000 0.823 262 V CB 0.663 32.498 31.823 0.020 0.000 1.053 262 V HN 1.169 nan 8.190 nan 0.000 0.446 263 G N 4.394 113.149 108.800 -0.075 0.000 2.536 263 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.280 263 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.280 263 G C 1.074 175.911 174.900 -0.105 0.000 1.152 263 G CA 0.327 45.387 45.100 -0.068 0.000 0.970 263 G HN 1.412 nan 8.290 nan 0.000 0.549 264 A N -0.035 122.747 122.820 -0.062 0.000 2.167 264 A HA 0.525 4.845 4.320 -0.000 0.000 0.214 264 A C 1.378 178.943 177.584 -0.032 0.000 1.151 264 A CA 2.301 54.315 52.037 -0.037 0.000 0.735 264 A CB -0.481 18.516 19.000 -0.005 0.000 0.802 264 A HN 1.846 nan 8.150 nan 0.000 0.467 265 M N -2.830 116.738 119.600 -0.054 0.000 2.537 265 M HA 0.727 5.207 4.480 -0.000 0.000 0.324 265 M C -1.388 174.859 176.300 -0.088 0.000 1.187 265 M CA -0.638 54.688 55.300 0.042 0.000 0.993 265 M CB 0.859 33.553 32.600 0.155 0.000 1.666 265 M HN 0.036 nan 8.290 nan 0.000 0.461 266 Y N 0.492 120.898 120.300 0.176 0.000 2.352 266 Y HA 0.558 5.108 4.550 -0.000 0.000 0.339 266 Y C -0.473 175.581 175.900 0.256 0.000 0.992 266 Y CA -0.542 57.676 58.100 0.197 0.000 1.100 266 Y CB 1.620 40.168 38.460 0.146 0.000 1.192 266 Y HN 0.702 nan 8.280 nan 0.000 0.458 267 Q N 2.298 122.361 119.800 0.439 0.000 2.314 267 Q HA 0.490 4.830 4.340 -0.000 0.000 0.257 267 Q C 0.153 176.442 176.000 0.480 0.000 0.975 267 Q CA -0.118 55.943 55.803 0.430 0.000 0.933 267 Q CB 0.853 29.834 28.738 0.405 0.000 1.195 267 Q HN 0.903 nan 8.270 nan 0.000 0.426 268 G N 2.354 111.410 108.800 0.427 0.000 2.574 268 G HA2 0.400 4.360 3.960 -0.000 0.000 0.248 268 G HA3 0.400 4.360 3.960 -0.000 0.000 0.248 268 G C -1.097 173.957 174.900 0.257 0.000 1.422 268 G CA -0.611 44.762 45.100 0.454 0.000 1.051 268 G HN 0.507 nan 8.290 nan 0.000 0.560 269 L N 1.106 122.455 121.223 0.211 0.000 2.288 269 L HA 0.497 4.837 4.340 -0.000 0.000 0.283 269 L C 1.322 178.241 176.870 0.082 0.000 1.072 269 L CA 0.945 55.788 54.840 0.005 0.000 0.862 269 L CB -0.008 42.051 42.059 0.001 0.000 1.245 269 L HN 1.121 nan 8.230 nan 0.000 0.432 270 G N 2.282 111.105 108.800 0.037 0.000 3.329 270 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 270 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 270 G C 0.244 175.196 174.900 0.086 0.000 1.358 270 G CA -0.024 45.089 45.100 0.021 0.000 0.856 270 G HN 0.435 nan 8.290 nan 0.000 0.551 271 W N 2.373 123.790 121.300 0.195 0.000 2.170 271 W HA 0.589 5.249 4.660 -0.000 0.000 0.336 271 W C 0.779 177.430 176.519 0.219 0.000 1.283 271 W CA -0.314 57.142 57.345 0.185 0.000 1.224 271 W CB 0.483 30.029 29.460 0.142 0.000 1.132 271 W HN 0.293 nan 8.180 nan 0.000 0.571 272 E N 1.728 122.270 120.200 0.571 0.000 2.227 272 E HA 0.579 4.929 4.350 -0.000 0.000 0.268 272 E C -0.905 175.942 176.600 0.412 0.000 0.907 272 E CA -1.172 55.516 56.400 0.481 0.000 0.786 272 E CB 1.786 31.773 29.700 0.478 0.000 1.191 272 E HN 0.177 nan 8.360 nan 0.000 0.411 273 M N 1.988 121.799 119.600 0.351 0.000 2.446 273 M HA 0.436 4.916 4.480 -0.000 0.000 0.294 273 M C -1.548 174.953 176.300 0.335 0.000 1.158 273 M CA -0.343 55.109 55.300 0.253 0.000 0.899 273 M CB 1.761 34.462 32.600 0.168 0.000 1.687 273 M HN 0.288 nan 8.290 nan 0.000 0.455 274 L N 1.431 122.821 121.223 0.278 0.000 2.388 274 L HA 0.544 4.884 4.340 -0.000 0.000 0.264 274 L C -0.462 176.569 176.870 0.269 0.000 0.998 274 L CA -0.424 54.590 54.840 0.289 0.000 0.817 274 L CB 2.320 44.484 42.059 0.175 0.000 1.338 274 L HN 0.666 nan 8.230 nan 0.000 0.414 275 N N 1.217 120.067 118.700 0.249 0.000 2.492 275 N HA 0.054 4.794 4.740 -0.000 0.000 0.262 275 N C -1.296 174.351 175.510 0.229 0.000 1.202 275 N CA -0.059 53.101 53.050 0.183 0.000 0.926 275 N CB 0.802 39.369 38.487 0.133 0.000 1.078 275 N HN 0.490 nan 8.380 nan 0.000 0.454 276 W N 3.920 125.263 121.300 0.072 0.000 2.469 276 W HA 0.369 5.028 4.660 -0.000 0.000 0.320 276 W C -2.383 174.168 176.519 0.053 0.000 1.086 276 W CA -1.894 55.504 57.345 0.089 0.000 1.211 276 W CB 0.855 30.381 29.460 0.110 0.000 1.298 276 W HN 0.420 nan 8.180 nan 0.000 0.525 277 P HA 0.082 nan 4.420 nan 0.000 0.267 277 P C -0.935 175.995 177.300 -0.616 0.000 1.200 277 P CA -0.077 62.136 63.100 -1.477 0.000 0.772 277 P CB 1.297 32.415 31.700 -0.970 0.000 0.855 278 V N 1.337 120.953 119.914 -0.497 0.000 2.962 278 V HA 0.320 4.439 4.120 -0.000 0.000 0.313 278 V C -0.710 175.311 176.094 -0.122 0.000 1.099 278 V CA -0.876 61.336 62.300 -0.146 0.000 0.971 278 V CB 2.219 34.038 31.823 -0.006 0.000 1.028 278 V HN 0.480 nan 8.190 nan 0.000 0.430 279 D N 3.511 123.821 120.400 -0.149 0.000 2.414 279 D HA 0.409 5.049 4.640 -0.000 0.000 0.242 279 D C 0.975 177.062 176.300 -0.354 0.000 1.129 279 D CA 0.934 54.821 54.000 -0.188 0.000 0.885 279 D CB 1.976 42.683 40.800 -0.155 0.000 1.198 279 D HN 0.753 nan 8.370 nan 0.000 0.437 280 A N 4.198 126.686 122.820 -0.555 0.000 1.858 280 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 280 A C 1.967 179.257 177.584 -0.489 0.000 1.190 280 A CA 1.763 53.245 52.037 -0.925 0.000 0.617 280 A CB -0.510 17.996 19.000 -0.823 0.000 0.827 280 A HN 0.625 nan 8.150 nan 0.000 0.443 281 K N -0.698 119.518 120.400 -0.306 0.000 2.020 281 K HA -0.139 4.181 4.320 -0.000 0.000 0.212 281 K C 2.125 178.624 176.600 -0.167 0.000 1.050 281 K CA 2.321 58.491 56.287 -0.195 0.000 0.929 281 K CB -0.832 31.583 32.500 -0.141 0.000 0.714 281 K HN 0.476 nan 8.250 nan 0.000 0.443 282 T N 0.363 114.818 114.554 -0.165 0.000 2.635 282 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 282 T C 1.813 176.446 174.700 -0.111 0.000 1.040 282 T CA 2.125 64.152 62.100 -0.122 0.000 1.156 282 T CB -0.496 68.305 68.868 -0.112 0.000 0.863 282 T HN 0.229 nan 8.240 nan 0.000 0.430 283 V N -0.097 119.711 119.914 -0.177 0.000 2.283 283 V HA -0.050 4.070 4.120 -0.000 0.000 0.243 283 V C 2.495 178.561 176.094 -0.047 0.000 1.039 283 V CA 1.098 63.321 62.300 -0.130 0.000 1.016 283 V CB -1.363 30.250 31.823 -0.349 0.000 0.650 283 V HN 0.301 nan 8.190 nan 0.000 0.449 284 V N 0.916 120.752 119.914 -0.130 0.000 2.282 284 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 284 V C 2.802 178.856 176.094 -0.067 0.000 1.057 284 V CA 2.748 64.990 62.300 -0.097 0.000 1.032 284 V CB -0.866 30.871 31.823 -0.144 0.000 0.645 284 V HN 0.623 nan 8.190 nan 0.000 0.447 285 E N -0.108 120.047 120.200 -0.076 0.000 2.208 285 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 285 E C 2.231 178.808 176.600 -0.038 0.000 0.988 285 E CA 0.859 57.225 56.400 -0.057 0.000 0.828 285 E CB -0.375 29.288 29.700 -0.061 0.000 0.763 285 E HN 0.644 nan 8.360 nan 0.000 0.478 286 G N 0.719 109.506 108.800 -0.021 0.000 2.598 286 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 286 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 286 G C 1.552 176.455 174.900 0.004 0.000 1.131 286 G CA 0.894 45.995 45.100 0.001 0.000 0.785 286 G HN 0.333 nan 8.290 nan 0.000 0.539 287 S N -0.580 115.121 115.700 0.001 0.000 2.524 287 S HA 0.055 4.525 4.470 -0.000 0.000 0.216 287 S C 0.662 175.222 174.600 -0.067 0.000 0.987 287 S CA -0.157 58.026 58.200 -0.028 0.000 0.909 287 S CB 0.092 63.282 63.200 -0.015 0.000 0.781 287 S HN 0.223 nan 8.310 nan 0.000 0.521 288 D N 2.015 122.381 120.400 -0.056 0.000 2.424 288 D HA 0.111 4.751 4.640 -0.000 0.000 0.244 288 D C 0.601 176.863 176.300 -0.063 0.000 1.134 288 D CA -0.014 53.952 54.000 -0.058 0.000 0.881 288 D CB 0.689 41.463 40.800 -0.044 0.000 1.191 288 D HN 0.056 nan 8.370 nan 0.000 0.445 289 N N 3.440 122.102 118.700 -0.063 0.000 2.060 289 N HA -0.232 4.508 4.740 -0.000 0.000 0.195 289 N C 1.489 176.973 175.510 -0.043 0.000 1.028 289 N CA 1.028 54.043 53.050 -0.059 0.000 0.861 289 N CB -0.245 38.216 38.487 -0.043 0.000 1.029 289 N HN 0.545 nan 8.380 nan 0.000 0.428 290 K N 0.219 120.600 120.400 -0.032 0.000 2.184 290 K HA -0.173 4.146 4.320 -0.000 0.000 0.210 290 K C 1.501 178.085 176.600 -0.026 0.000 1.048 290 K CA 1.445 57.719 56.287 -0.022 0.000 0.931 290 K CB 0.128 32.615 32.500 -0.022 0.000 0.718 290 K HN 0.034 nan 8.250 nan 0.000 0.465 291 V N -1.746 118.145 119.914 -0.037 0.000 3.090 291 V HA 0.132 4.252 4.120 -0.000 0.000 0.237 291 V C 1.721 177.781 176.094 -0.056 0.000 1.209 291 V CA 0.943 63.219 62.300 -0.040 0.000 1.209 291 V CB 0.507 32.309 31.823 -0.035 0.000 0.971 291 V HN 0.354 nan 8.190 nan 0.000 0.477 292 A N -0.202 122.571 122.820 -0.079 0.000 2.067 292 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 292 A C 1.873 179.369 177.584 -0.147 0.000 1.158 292 A CA 1.306 53.265 52.037 -0.130 0.000 0.661 292 A CB -0.309 18.581 19.000 -0.183 0.000 0.801 292 A HN 0.507 nan 8.150 nan 0.000 0.452 293 L N -0.930 120.239 121.223 -0.092 0.000 2.640 293 L HA 0.297 4.637 4.340 -0.000 0.000 0.230 293 L C 1.004 177.862 176.870 -0.020 0.000 1.123 293 L CA -0.185 54.630 54.840 -0.042 0.000 0.900 293 L CB -0.042 42.005 42.059 -0.019 0.000 1.146 293 L HN 0.324 nan 8.230 nan 0.000 0.484 294 A N 1.515 124.313 122.820 -0.038 0.000 2.354 294 A HA 0.505 4.825 4.320 -0.000 0.000 0.269 294 A C -2.229 175.300 177.584 -0.092 0.000 1.109 294 A CA -1.130 50.885 52.037 -0.036 0.000 0.800 294 A CB -0.240 18.742 19.000 -0.030 0.000 1.045 294 A HN -0.086 nan 8.150 nan 0.000 0.489 295 P HA 0.364 nan 4.420 nan 0.000 0.271 295 P C -1.041 176.069 177.300 -0.317 0.000 1.226 295 P CA 0.405 63.284 63.100 -0.368 0.000 0.765 295 P CB 0.541 31.856 31.700 -0.641 0.000 0.835 296 L N 5.262 126.292 121.223 -0.322 0.000 2.401 296 L HA 0.475 4.814 4.340 -0.000 0.000 0.266 296 L C -2.344 174.392 176.870 -0.223 0.000 0.991 296 L CA -2.807 51.905 54.840 -0.214 0.000 0.818 296 L CB 2.807 44.793 42.059 -0.121 0.000 1.321 296 L HN 0.159 nan 8.230 nan 0.000 0.413 297 P HA 0.143 nan 4.420 nan 0.000 0.268 297 P C -1.164 176.111 177.300 -0.042 0.000 1.204 297 P CA -0.098 62.951 63.100 -0.084 0.000 0.768 297 P CB 1.137 32.825 31.700 -0.020 0.000 0.842 298 A N 4.419 127.239 122.820 -0.000 0.000 2.365 298 A HA 0.614 4.934 4.320 -0.000 0.000 0.318 298 A C -0.177 177.625 177.584 0.362 0.000 1.091 298 A CA -0.886 51.230 52.037 0.131 0.000 0.763 298 A CB 1.321 20.280 19.000 -0.068 0.000 1.248 298 A HN 0.450 nan 8.150 nan 0.000 0.442 299 R N 1.638 122.353 120.500 0.357 0.000 2.295 299 R HA 0.294 4.633 4.340 -0.000 0.000 0.324 299 R C -0.601 175.824 176.300 0.208 0.000 0.968 299 R CA -0.450 55.808 56.100 0.262 0.000 0.837 299 R CB 1.836 32.209 30.300 0.121 0.000 1.133 299 R HN 0.861 nan 8.270 nan 0.000 0.450 300 E N 2.724 122.900 120.200 -0.040 0.000 2.324 300 E HA 0.024 4.374 4.350 -0.000 0.000 0.271 300 E C -0.448 175.983 176.600 -0.281 0.000 1.028 300 E CA -0.277 55.783 56.400 -0.565 0.000 0.890 300 E CB 1.152 30.398 29.700 -0.757 0.000 1.004 300 E HN 0.325 nan 8.360 nan 0.000 0.431 301 V N 5.887 125.642 119.914 -0.264 0.000 2.372 301 V HA 0.063 4.183 4.120 -0.000 0.000 0.261 301 V C 0.954 176.945 176.094 -0.171 0.000 1.055 301 V CA 0.011 62.233 62.300 -0.131 0.000 0.930 301 V CB 0.592 32.386 31.823 -0.048 0.000 1.031 301 V HN 0.897 nan 8.190 nan 0.000 0.479 302 N N 6.180 124.805 118.700 -0.124 0.000 2.002 302 N HA -0.037 4.703 4.740 -0.000 0.000 0.199 302 N C -1.475 173.976 175.510 -0.098 0.000 1.060 302 N CA 1.370 54.356 53.050 -0.108 0.000 0.867 302 N CB -0.434 38.012 38.487 -0.068 0.000 1.069 302 N HN 0.662 nan 8.380 nan 0.000 0.430 303 P HA 0.346 nan 4.420 nan 0.000 0.292 303 P C -2.648 174.571 177.300 -0.135 0.000 1.283 303 P CA -1.350 61.699 63.100 -0.084 0.000 0.835 303 P CB 1.141 32.804 31.700 -0.062 0.000 1.017 304 P HA 0.011 nan 4.420 nan 0.000 0.264 304 P C -0.257 176.886 177.300 -0.263 0.000 1.179 304 P CA 0.405 63.294 63.100 -0.352 0.000 0.763 304 P CB 0.197 31.478 31.700 -0.698 0.000 0.806 305 A N 5.433 128.110 122.820 -0.238 0.000 2.363 305 A HA 0.496 4.815 4.320 -0.000 0.000 0.270 305 A C -1.947 175.529 177.584 -0.180 0.000 1.121 305 A CA -1.418 50.516 52.037 -0.171 0.000 0.800 305 A CB -0.682 18.233 19.000 -0.142 0.000 1.052 305 A HN 0.408 nan 8.150 nan 0.000 0.493 306 P HA 0.211 nan 4.420 nan 0.000 0.272 306 P C -2.669 174.566 177.300 -0.108 0.000 1.254 306 P CA -1.054 61.981 63.100 -0.109 0.000 0.795 306 P CB -0.742 30.910 31.700 -0.078 0.000 1.022 307 P HA 0.053 nan 4.420 nan 0.000 0.269 307 P C -0.608 176.638 177.300 -0.089 0.000 1.215 307 P CA 0.069 63.120 63.100 -0.083 0.000 0.780 307 P CB 0.280 31.943 31.700 -0.062 0.000 0.898 308 V N 2.203 122.058 119.914 -0.099 0.000 2.409 308 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 308 V C 0.830 176.889 176.094 -0.058 0.000 1.020 308 V CA -0.493 61.756 62.300 -0.084 0.000 0.848 308 V CB 1.037 32.793 31.823 -0.112 0.000 0.990 308 V HN 0.283 nan 8.190 nan 0.000 0.430 309 N N 4.885 123.560 118.700 -0.041 0.000 2.137 309 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 309 N C 1.244 176.757 175.510 0.005 0.000 1.017 309 N CA 1.795 54.828 53.050 -0.029 0.000 0.859 309 N CB -0.313 38.159 38.487 -0.026 0.000 1.002 309 N HN 0.958 nan 8.380 nan 0.000 0.428 310 A N 0.006 122.851 122.820 0.042 0.000 3.051 310 A HA 0.374 4.694 4.320 -0.000 0.000 0.257 310 A C -0.008 177.673 177.584 0.162 0.000 1.785 310 A CA 0.047 52.167 52.037 0.139 0.000 1.420 310 A CB -0.347 18.723 19.000 0.117 0.000 1.063 310 A HN 0.040 nan 8.150 nan 0.000 0.630 311 S N 0.272 116.044 115.700 0.120 0.000 2.570 311 S HA 0.554 5.024 4.470 -0.000 0.000 0.286 311 S C -1.108 173.545 174.600 0.089 0.000 1.099 311 S CA -0.532 57.730 58.200 0.104 0.000 0.913 311 S CB 1.163 64.340 63.200 -0.038 0.000 1.085 311 S HN 0.682 nan 8.310 nan 0.000 0.480 312 W N 4.893 126.174 121.300 -0.033 0.000 2.288 312 W HA 0.560 5.220 4.660 -0.000 0.000 0.325 312 W C -1.175 175.146 176.519 -0.330 0.000 1.019 312 W CA -0.628 56.620 57.345 -0.162 0.000 1.403 312 W CB 0.548 30.020 29.460 0.020 0.000 1.226 312 W HN 0.447 nan 8.180 nan 0.000 0.391 313 V N 8.126 127.555 119.914 -0.808 0.000 2.472 313 V HA 0.598 4.718 4.120 -0.000 0.000 0.290 313 V C -0.630 174.916 176.094 -0.913 0.000 1.037 313 V CA -0.005 61.788 62.300 -0.844 0.000 0.908 313 V CB 1.325 32.464 31.823 -1.141 0.000 0.985 313 V HN 0.730 nan 8.190 nan 0.000 0.454 314 H N 3.462 122.364 119.070 -0.280 0.000 2.933 314 H HA 0.864 5.420 4.556 -0.000 0.000 0.310 314 H C -1.546 173.978 175.328 0.327 0.000 1.351 314 H CA -1.346 54.673 56.048 -0.049 0.000 1.137 314 H CB 2.069 31.823 29.762 -0.014 0.000 1.853 314 H HN 0.615 nan 8.280 nan 0.000 0.539 315 K N 0.816 121.267 120.400 0.085 0.000 2.584 315 K HA 0.250 4.570 4.320 -0.000 0.000 0.260 315 K C -1.639 174.946 176.600 -0.025 0.000 0.949 315 K CA -0.228 56.065 56.287 0.011 0.000 0.888 315 K CB 2.426 34.919 32.500 -0.013 0.000 1.330 315 K HN 0.808 nan 8.250 nan 0.000 0.432 316 T N 1.315 115.911 114.554 0.071 0.000 2.929 316 T HA 0.861 5.211 4.350 -0.000 0.000 0.284 316 T C -0.546 174.215 174.700 0.103 0.000 1.014 316 T CA -0.038 62.184 62.100 0.202 0.000 1.051 316 T CB 0.870 69.823 68.868 0.142 0.000 1.028 316 T HN 0.661 nan 8.240 nan 0.000 0.485 317 G N 1.954 110.829 108.800 0.125 0.000 2.760 317 G HA2 0.562 4.522 3.960 -0.000 0.000 0.296 317 G HA3 0.562 4.522 3.960 -0.000 0.000 0.296 317 G C -1.335 173.644 174.900 0.132 0.000 1.427 317 G CA -0.586 44.591 45.100 0.128 0.000 1.109 317 G HN 0.797 nan 8.290 nan 0.000 0.553 318 S N -0.039 115.733 115.700 0.120 0.000 2.599 318 S HA 0.904 5.373 4.470 -0.000 0.000 0.287 318 S C 0.186 174.869 174.600 0.137 0.000 1.105 318 S CA -0.573 57.708 58.200 0.134 0.000 0.899 318 S CB 2.142 65.386 63.200 0.074 0.000 1.100 318 S HN 1.217 nan 8.310 nan 0.000 0.482 319 T N -2.184 112.489 114.554 0.197 0.000 2.676 319 T HA 0.662 5.011 4.350 -0.000 0.000 0.269 319 T C 1.315 176.113 174.700 0.163 0.000 0.952 319 T CA -0.202 62.000 62.100 0.169 0.000 1.040 319 T CB 0.577 69.600 68.868 0.259 0.000 1.352 319 T HN 0.587 nan 8.240 nan 0.000 0.554 320 G N -0.529 108.360 108.800 0.147 0.000 2.422 320 G HA2 0.228 4.188 3.960 -0.000 0.000 0.218 320 G HA3 0.228 4.188 3.960 -0.000 0.000 0.218 320 G C 1.142 176.126 174.900 0.140 0.000 1.140 320 G CA 0.532 45.700 45.100 0.113 0.000 0.775 320 G HN 1.114 nan 8.290 nan 0.000 0.545 321 G N -1.265 107.672 108.800 0.228 0.000 3.228 321 G HA2 0.473 4.432 3.960 -0.000 0.000 0.245 321 G HA3 0.473 4.432 3.960 -0.000 0.000 0.245 321 G C -0.414 174.482 174.900 -0.007 0.000 1.051 321 G CA -0.427 44.733 45.100 0.100 0.000 0.809 321 G HN 0.181 nan 8.290 nan 0.000 0.531 322 F N -0.397 119.678 119.950 0.208 0.000 2.588 322 F HA 0.695 5.222 4.527 -0.000 0.000 0.314 322 F C 0.295 176.223 175.800 0.214 0.000 1.069 322 F CA -1.102 57.056 58.000 0.263 0.000 0.931 322 F CB 2.557 41.739 39.000 0.303 0.000 1.260 322 F HN -0.005 nan 8.300 nan 0.000 0.465 323 G N 0.981 110.045 108.800 0.440 0.000 2.737 323 G HA2 0.568 4.528 3.960 -0.000 0.000 0.290 323 G HA3 0.568 4.528 3.960 -0.000 0.000 0.290 323 G C -1.570 173.503 174.900 0.288 0.000 1.482 323 G CA -0.528 44.728 45.100 0.259 0.000 1.017 323 G HN 0.549 nan 8.290 nan 0.000 0.529 324 S N 0.316 116.147 115.700 0.219 0.000 2.568 324 S HA 0.792 5.262 4.470 -0.000 0.000 0.293 324 S C -1.746 173.021 174.600 0.278 0.000 1.089 324 S CA -0.591 57.746 58.200 0.228 0.000 0.945 324 S CB 2.002 65.322 63.200 0.200 0.000 1.077 324 S HN 0.641 nan 8.310 nan 0.000 0.485 325 Y N 1.267 121.648 120.300 0.134 0.000 2.442 325 Y HA 0.526 5.076 4.550 -0.000 0.000 0.330 325 Y C -1.346 174.671 175.900 0.196 0.000 1.100 325 Y CA -0.852 57.339 58.100 0.151 0.000 1.034 325 Y CB 1.094 39.644 38.460 0.149 0.000 1.285 325 Y HN 0.584 nan 8.280 nan 0.000 0.440 326 V N 2.027 121.697 119.914 -0.406 0.000 2.735 326 V HA 1.073 5.193 4.120 -0.000 0.000 0.310 326 V C -1.100 174.679 176.094 -0.525 0.000 1.061 326 V CA -0.374 61.808 62.300 -0.196 0.000 0.913 326 V CB 1.250 33.209 31.823 0.226 0.000 1.005 326 V HN 1.340 nan 8.190 nan 0.000 0.428 327 A N 4.514 127.113 122.820 -0.369 0.000 2.517 327 A HA 1.002 5.322 4.320 -0.000 0.000 0.297 327 A C -1.154 176.075 177.584 -0.592 0.000 1.050 327 A CA -0.496 51.145 52.037 -0.661 0.000 0.694 327 A CB 1.635 20.218 19.000 -0.696 0.000 1.277 327 A HN 2.159 nan 8.150 nan 0.000 0.400 328 F N -0.434 119.032 119.950 -0.806 0.000 2.668 328 F HA 0.838 5.365 4.527 -0.000 0.000 0.309 328 F C -1.373 174.032 175.800 -0.658 0.000 1.117 328 F CA -1.367 56.239 58.000 -0.656 0.000 0.951 328 F CB 1.240 39.943 39.000 -0.496 0.000 1.323 328 F HN 0.282 nan 8.300 nan 0.000 0.451 329 I N 2.867 123.225 120.570 -0.354 0.000 2.464 329 I HA 0.349 4.519 4.170 -0.000 0.000 0.277 329 I C -2.041 173.975 176.117 -0.170 0.000 1.040 329 I CA -1.861 59.213 61.300 -0.377 0.000 1.153 329 I CB 1.655 39.249 38.000 -0.677 0.000 1.274 329 I HN 0.383 nan 8.210 nan 0.000 0.469 330 P HA -0.209 nan 4.420 nan 0.000 0.216 330 P C 1.503 178.756 177.300 -0.078 0.000 1.153 330 P CA 1.158 64.222 63.100 -0.060 0.000 0.858 330 P CB 0.411 32.086 31.700 -0.040 0.000 0.789 331 E N 0.576 120.741 120.200 -0.059 0.000 2.086 331 E HA -0.248 4.102 4.350 -0.000 0.000 0.205 331 E C 1.493 178.066 176.600 -0.044 0.000 1.027 331 E CA 2.013 58.398 56.400 -0.025 0.000 0.830 331 E CB -0.500 29.224 29.700 0.042 0.000 0.751 331 E HN 0.180 nan 8.360 nan 0.000 0.456 332 K N -0.547 119.802 120.400 -0.084 0.000 2.393 332 K HA 0.083 4.403 4.320 -0.000 0.000 0.193 332 K C -0.072 176.466 176.600 -0.103 0.000 1.026 332 K CA 0.322 56.558 56.287 -0.085 0.000 1.064 332 K CB 0.546 32.980 32.500 -0.111 0.000 0.833 332 K HN 0.009 nan 8.250 nan 0.000 0.521 333 Q N 0.520 120.251 119.800 -0.114 0.000 2.453 333 Q HA -0.203 4.137 4.340 -0.000 0.000 0.294 333 Q C -0.938 174.997 176.000 -0.107 0.000 1.295 333 Q CA 0.869 56.599 55.803 -0.122 0.000 0.853 333 Q CB -1.607 27.058 28.738 -0.121 0.000 1.193 333 Q HN 0.402 nan 8.270 nan 0.000 0.461 334 L N -0.816 120.340 121.223 -0.111 0.000 2.362 334 L HA 0.876 5.216 4.340 -0.000 0.000 0.271 334 L C 0.439 177.249 176.870 -0.100 0.000 1.002 334 L CA -0.182 54.613 54.840 -0.075 0.000 0.818 334 L CB 2.040 44.041 42.059 -0.097 0.000 1.298 334 L HN 0.274 nan 8.230 nan 0.000 0.420 335 G N 3.435 112.205 108.800 -0.051 0.000 2.646 335 G HA2 0.540 4.500 3.960 -0.000 0.000 0.291 335 G HA3 0.540 4.500 3.960 -0.000 0.000 0.291 335 G C -2.342 172.562 174.900 0.007 0.000 1.445 335 G CA -0.411 44.660 45.100 -0.048 0.000 0.814 335 G HN 0.581 nan 8.290 nan 0.000 0.495 336 I N -0.044 120.539 120.570 0.021 0.000 2.802 336 I HA 0.723 4.892 4.170 -0.000 0.000 0.298 336 I C -1.277 174.916 176.117 0.126 0.000 1.176 336 I CA -1.071 60.288 61.300 0.098 0.000 1.025 336 I CB 2.389 40.467 38.000 0.130 0.000 1.243 336 I HN 0.375 nan 8.210 nan 0.000 0.424 337 V N 7.314 127.333 119.914 0.174 0.000 2.531 337 V HA 0.511 4.631 4.120 -0.000 0.000 0.301 337 V C -0.560 175.656 176.094 0.203 0.000 1.034 337 V CA -0.405 62.007 62.300 0.187 0.000 0.865 337 V CB 1.835 33.777 31.823 0.199 0.000 0.995 337 V HN 0.640 nan 8.190 nan 0.000 0.424 338 M N 6.388 126.114 119.600 0.209 0.000 2.093 338 M HA 0.565 5.045 4.480 -0.000 0.000 0.297 338 M C -1.287 175.079 176.300 0.111 0.000 0.938 338 M CA -0.128 55.283 55.300 0.185 0.000 0.920 338 M CB 1.780 34.538 32.600 0.264 0.000 1.517 338 M HN 0.348 nan 8.290 nan 0.000 0.427 339 L N 3.104 124.275 121.223 -0.087 0.000 2.305 339 L HA 0.932 5.271 4.340 -0.000 0.000 0.284 339 L C -0.320 176.251 176.870 -0.499 0.000 1.013 339 L CA -0.662 53.944 54.840 -0.390 0.000 0.819 339 L CB 1.517 43.070 42.059 -0.844 0.000 1.227 339 L HN 0.789 nan 8.230 nan 0.000 0.417 340 A N 2.381 125.198 122.820 -0.005 0.000 2.414 340 A HA 0.548 4.867 4.320 -0.000 0.000 0.306 340 A C -0.256 177.660 177.584 0.554 0.000 1.054 340 A CA -0.764 51.429 52.037 0.260 0.000 0.724 340 A CB 1.256 20.428 19.000 0.288 0.000 1.267 340 A HN 0.739 nan 8.150 nan 0.000 0.418 341 N N 1.238 120.256 118.700 0.531 0.000 2.575 341 N HA 0.197 4.936 4.740 -0.000 0.000 0.275 341 N C -0.517 174.987 175.510 -0.010 0.000 1.202 341 N CA -0.124 52.973 53.050 0.079 0.000 0.945 341 N CB 0.136 38.678 38.487 0.092 0.000 1.247 341 N HN 0.615 nan 8.380 nan 0.000 0.510 342 K N -0.925 119.560 120.400 0.141 0.000 2.569 342 K HA 0.254 4.574 4.320 -0.000 0.000 0.259 342 K C -1.580 175.198 176.600 0.296 0.000 0.932 342 K CA -0.422 55.965 56.287 0.166 0.000 0.833 342 K CB 1.520 34.118 32.500 0.164 0.000 1.340 342 K HN -0.052 nan 8.250 nan 0.000 0.429 343 S N 3.141 118.978 115.700 0.228 0.000 2.474 343 S HA 0.378 4.848 4.470 -0.000 0.000 0.276 343 S C -1.162 173.574 174.600 0.226 0.000 1.227 343 S CA -0.412 57.908 58.200 0.201 0.000 1.050 343 S CB -0.111 63.165 63.200 0.126 0.000 0.939 343 S HN 0.430 nan 8.310 nan 0.000 0.490 344 Y N 2.652 122.989 120.300 0.061 0.000 2.602 344 Y HA 0.787 5.337 4.550 -0.000 0.000 0.342 344 Y C -2.987 172.927 175.900 0.023 0.000 1.029 344 Y CA -3.514 54.607 58.100 0.035 0.000 1.080 344 Y CB -0.659 37.818 38.460 0.029 0.000 1.284 344 Y HN 0.359 nan 8.280 nan 0.000 0.485 345 P HA 0.054 nan 4.420 nan 0.000 0.265 345 P C 0.178 177.351 177.300 -0.211 0.000 1.187 345 P CA 0.177 63.227 63.100 -0.083 0.000 0.766 345 P CB 0.788 32.484 31.700 -0.006 0.000 0.820 346 N N 3.519 122.105 118.700 -0.191 0.000 2.104 346 N HA -0.124 4.616 4.740 -0.000 0.000 0.190 346 N C -0.923 174.479 175.510 -0.180 0.000 1.024 346 N CA 1.769 54.694 53.050 -0.209 0.000 0.853 346 N CB -1.795 36.603 38.487 -0.148 0.000 1.008 346 N HN 0.452 nan 8.380 nan 0.000 0.424 347 P HA -0.055 nan 4.420 nan 0.000 0.216 347 P C 1.030 178.290 177.300 -0.066 0.000 1.150 347 P CA 1.406 64.456 63.100 -0.084 0.000 0.837 347 P CB -0.021 31.646 31.700 -0.056 0.000 0.786 348 A N -0.305 122.501 122.820 -0.023 0.000 1.968 348 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 348 A C 2.188 179.824 177.584 0.086 0.000 1.169 348 A CA 1.060 53.138 52.037 0.068 0.000 0.638 348 A CB -0.810 18.305 19.000 0.191 0.000 0.812 348 A HN 0.072 nan 8.150 nan 0.000 0.446 349 R N -0.531 119.951 120.500 -0.031 0.000 2.073 349 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 349 R C 2.033 178.124 176.300 -0.349 0.000 1.134 349 R CA 1.555 57.581 56.100 -0.124 0.000 0.952 349 R CB -0.733 29.357 30.300 -0.350 0.000 0.850 349 R HN 0.373 nan 8.270 nan 0.000 0.433 350 V N 1.422 121.051 119.914 -0.475 0.000 2.295 350 V HA -0.254 3.865 4.120 -0.000 0.000 0.246 350 V C 2.409 178.516 176.094 0.021 0.000 1.049 350 V CA 2.047 64.139 62.300 -0.347 0.000 1.024 350 V CB -0.545 31.186 31.823 -0.154 0.000 0.648 350 V HN 0.412 nan 8.190 nan 0.000 0.447 351 E N 0.340 120.542 120.200 0.002 0.000 2.051 351 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 351 E C 2.220 178.899 176.600 0.132 0.000 0.991 351 E CA 1.508 57.944 56.400 0.059 0.000 0.799 351 E CB -0.269 29.434 29.700 0.006 0.000 0.748 351 E HN 0.546 nan 8.360 nan 0.000 0.449 352 A N 1.105 123.986 122.820 0.101 0.000 1.902 352 A HA -0.098 4.221 4.320 -0.000 0.000 0.217 352 A C 2.387 180.075 177.584 0.173 0.000 1.181 352 A CA 1.868 53.972 52.037 0.111 0.000 0.623 352 A CB -0.776 18.273 19.000 0.083 0.000 0.818 352 A HN 0.436 nan 8.150 nan 0.000 0.443 353 A N -1.628 121.338 122.820 0.243 0.000 1.898 353 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 353 A C 2.129 179.968 177.584 0.425 0.000 1.181 353 A CA 1.572 53.831 52.037 0.371 0.000 0.620 353 A CB -0.858 18.512 19.000 0.617 0.000 0.819 353 A HN 0.664 nan 8.150 nan 0.000 0.442 354 Y N 0.479 120.996 120.300 0.362 0.000 2.114 354 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 354 Y C 2.592 178.605 175.900 0.188 0.000 1.165 354 Y CA 2.327 60.588 58.100 0.268 0.000 1.148 354 Y CB -0.237 38.249 38.460 0.042 0.000 0.972 354 Y HN 0.250 nan 8.280 nan 0.000 0.504 355 R N -0.290 120.387 120.500 0.294 0.000 2.096 355 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 355 R C 2.228 178.575 176.300 0.077 0.000 1.127 355 R CA 1.863 58.068 56.100 0.175 0.000 0.968 355 R CB -0.348 30.033 30.300 0.135 0.000 0.861 355 R HN 0.419 nan 8.270 nan 0.000 0.440 356 I N 0.428 121.046 120.570 0.080 0.000 2.162 356 I HA -0.258 3.912 4.170 -0.000 0.000 0.238 356 I C 2.062 178.181 176.117 0.003 0.000 1.076 356 I CA 1.168 62.484 61.300 0.027 0.000 1.353 356 I CB -0.199 37.821 38.000 0.033 0.000 1.063 356 I HN 0.128 nan 8.210 nan 0.000 0.408 357 L N 0.505 121.745 121.223 0.029 0.000 2.191 357 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 357 L C 2.557 179.409 176.870 -0.029 0.000 1.103 357 L CA 1.509 56.344 54.840 -0.009 0.000 0.769 357 L CB -0.731 41.328 42.059 0.000 0.000 0.908 357 L HN 0.392 nan 8.230 nan 0.000 0.438 358 S N -0.523 115.138 115.700 -0.065 0.000 2.562 358 S HA 0.085 4.554 4.470 -0.000 0.000 0.221 358 S C 1.698 176.311 174.600 0.022 0.000 0.975 358 S CA 0.413 58.595 58.200 -0.030 0.000 0.918 358 S CB 0.127 63.227 63.200 -0.167 0.000 0.772 358 S HN 0.303 nan 8.310 nan 0.000 0.531 359 A N 0.633 123.454 122.820 0.002 0.000 2.275 359 A HA 0.572 4.892 4.320 -0.000 0.000 0.212 359 A C 0.702 178.276 177.584 -0.017 0.000 1.201 359 A CA -0.232 51.804 52.037 -0.002 0.000 0.843 359 A CB -0.124 18.864 19.000 -0.020 0.000 0.873 359 A HN 0.536 nan 8.150 nan 0.000 0.492 360 L N 0.000 121.217 121.223 -0.010 0.000 2.949 360 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 360 L CA 0.000 54.840 54.840 0.001 0.000 0.813 360 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502