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 2bih_1_A DATA FIRST_RESID 26 DATA SEQUENCE PFPVRQDSPL TEVLPTDLKT KDNFVARDPD LLRLTGSHPF NSEPPLTKLY DATA SEQUENCE DSGFLTPVSL HFVRNHGPVP YVPDENILDW EVSIEGMVET PYKIKLSDIM DATA SEQUENCE EQFDIYSTPV TMVCAGNRRK EQNMVKKGAG FNWGAAGTST SLWTGCMLGD DATA SEQUENCE VIGKARPSKR ARFVWMEGAD NPANGAYGTC IRLSWCMDPE RCIMIAYQQN DATA SEQUENCE GEWLHPDHGK PLRVVIPGVI GGRSVKWLKK LVVSDRPSEN WYHYFDNRVL DATA SEQUENCE PTMVTPEMAK SDDRWWKDER YAIYDLNLQT IICKPENQQV IKISEDEYEI DATA SEQUENCE AGFGYNGGGV RIGRIEVSLD KGKSWKLADI DYPEDRYREA GYFRLFGGLV DATA SEQUENCE NVCDRMSCLC WCFWKLKVPL SELARSKDIL IRGMDERMMV QPRTMYWNVT DATA SEQUENCE SMLNNWWYRV AIIREGESLR FEHPVVANKP GGWMDRVKAE GGDILDNNWG DATA SEQUENCE EVD 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 26 P HA 0.000 nan 4.420 nan 0.000 0.216 26 P C 0.000 176.921 177.300 -0.632 0.000 1.155 26 P CA 0.000 62.720 63.100 -0.633 0.000 0.800 26 P CB 0.000 31.237 31.700 -0.771 0.000 0.726 27 F N 0.368 120.023 119.950 -0.491 0.000 2.650 27 F HA 0.831 5.358 4.527 -0.000 0.000 0.320 27 F C -2.916 172.601 175.800 -0.472 0.000 1.091 27 F CA -2.996 54.588 58.000 -0.694 0.000 0.962 27 F CB -0.795 37.364 39.000 -1.402 0.000 1.363 27 F HN -0.387 nan 8.300 nan 0.000 0.482 28 P HA 0.331 nan 4.420 nan 0.000 0.264 28 P C -1.005 176.495 177.300 0.332 0.000 1.193 28 P CA -0.040 63.148 63.100 0.146 0.000 0.763 28 P CB 0.964 32.852 31.700 0.314 0.000 0.810 29 V N 3.872 123.909 119.914 0.204 0.000 2.971 29 V HA 0.686 4.806 4.120 -0.000 0.000 0.309 29 V C -0.240 175.960 176.094 0.177 0.000 1.130 29 V CA -0.683 61.750 62.300 0.221 0.000 0.964 29 V CB 2.637 34.543 31.823 0.138 0.000 1.029 29 V HN 0.576 nan 8.190 nan 0.000 0.427 30 R N 3.181 123.813 120.500 0.221 0.000 2.561 30 R HA 0.606 4.946 4.340 -0.000 0.000 0.266 30 R C -2.016 174.373 176.300 0.148 0.000 1.091 30 R CA -0.494 55.694 56.100 0.148 0.000 0.927 30 R CB 2.426 32.785 30.300 0.099 0.000 1.240 30 R HN 0.957 nan 8.270 nan 0.000 0.449 31 Q N 2.732 122.581 119.800 0.082 0.000 2.340 31 Q HA 0.489 4.829 4.340 -0.000 0.000 0.276 31 Q C -1.561 174.430 176.000 -0.015 0.000 1.048 31 Q CA -1.080 54.706 55.803 -0.028 0.000 0.832 31 Q CB 2.997 31.662 28.738 -0.122 0.000 1.373 31 Q HN 0.445 nan 8.270 nan 0.000 0.409 32 D N 0.860 121.239 120.400 -0.035 0.000 2.497 32 D HA 0.277 4.917 4.640 -0.000 0.000 0.243 32 D C -0.694 175.599 176.300 -0.011 0.000 1.039 32 D CA -0.749 53.244 54.000 -0.011 0.000 1.052 32 D CB 2.104 42.900 40.800 -0.007 0.000 1.344 32 D HN 0.484 nan 8.370 nan 0.000 0.553 33 S N 0.813 116.516 115.700 0.006 0.000 2.531 33 S HA 0.258 4.727 4.470 -0.000 0.000 0.279 33 S C -2.233 172.380 174.600 0.022 0.000 1.305 33 S CA -1.014 57.195 58.200 0.015 0.000 1.058 33 S CB 0.078 63.291 63.200 0.022 0.000 0.899 33 S HN 0.156 nan 8.310 nan 0.000 0.493 34 P HA 0.218 nan 4.420 nan 0.000 0.275 34 P C -0.598 176.745 177.300 0.073 0.000 1.227 34 P CA -0.389 62.750 63.100 0.065 0.000 0.781 34 P CB 0.361 32.115 31.700 0.090 0.000 0.906 35 L N 1.754 123.030 121.223 0.089 0.000 2.417 35 L HA 0.154 4.494 4.340 -0.000 0.000 0.268 35 L C 1.535 178.456 176.870 0.085 0.000 1.158 35 L CA 0.109 54.996 54.840 0.077 0.000 0.819 35 L CB 0.199 42.299 42.059 0.069 0.000 1.112 35 L HN 0.449 nan 8.230 nan 0.000 0.458 36 T N -0.860 113.730 114.554 0.059 0.000 3.071 36 T HA -0.029 4.321 4.350 -0.000 0.000 0.239 36 T C 0.482 175.207 174.700 0.041 0.000 0.997 36 T CA -0.106 62.025 62.100 0.050 0.000 1.134 36 T CB 0.081 68.972 68.868 0.039 0.000 0.928 36 T HN 0.564 nan 8.240 nan 0.000 0.453 37 E N 2.840 123.060 120.200 0.032 0.000 2.292 37 E HA 0.177 4.527 4.350 -0.000 0.000 0.265 37 E C -0.803 175.803 176.600 0.010 0.000 1.093 37 E CA -0.259 56.153 56.400 0.020 0.000 0.922 37 E CB 0.323 30.033 29.700 0.016 0.000 1.001 37 E HN 0.017 nan 8.360 nan 0.000 0.444 38 V N 6.696 126.611 119.914 0.001 0.000 2.508 38 V HA 0.059 4.179 4.120 -0.000 0.000 0.281 38 V C 0.612 176.686 176.094 -0.033 0.000 1.041 38 V CA -0.248 62.037 62.300 -0.026 0.000 1.016 38 V CB 0.537 32.344 31.823 -0.027 0.000 0.984 38 V HN 0.646 nan 8.190 nan 0.000 0.478 39 L N 7.095 128.285 121.223 -0.055 0.000 2.417 39 L HA 0.241 4.580 4.340 -0.000 0.000 0.268 39 L C -1.134 175.707 176.870 -0.049 0.000 1.158 39 L CA -1.529 53.284 54.840 -0.046 0.000 0.819 39 L CB 0.384 42.410 42.059 -0.055 0.000 1.112 39 L HN 0.405 nan 8.230 nan 0.000 0.458 40 P HA -0.207 nan 4.420 nan 0.000 0.217 40 P C 1.441 178.715 177.300 -0.043 0.000 1.158 40 P CA 1.613 64.694 63.100 -0.031 0.000 0.887 40 P CB 0.011 31.700 31.700 -0.020 0.000 0.792 41 T N -0.932 113.595 114.554 -0.045 0.000 2.759 41 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 41 T C 1.236 175.888 174.700 -0.079 0.000 1.042 41 T CA 1.698 63.768 62.100 -0.051 0.000 1.140 41 T CB -0.836 68.007 68.868 -0.042 0.000 0.864 41 T HN 0.198 nan 8.240 nan 0.000 0.455 42 D N 0.919 121.252 120.400 -0.110 0.000 2.213 42 D HA 0.108 4.748 4.640 -0.000 0.000 0.205 42 D C 2.179 178.405 176.300 -0.124 0.000 0.961 42 D CA 0.359 54.269 54.000 -0.151 0.000 0.853 42 D CB -0.341 40.336 40.800 -0.206 0.000 0.967 42 D HN 0.304 nan 8.370 nan 0.000 0.496 43 L N 0.609 121.780 121.223 -0.086 0.000 2.081 43 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 43 L C 1.959 178.791 176.870 -0.064 0.000 1.080 43 L CA 1.287 56.090 54.840 -0.060 0.000 0.754 43 L CB -0.305 41.731 42.059 -0.039 0.000 0.893 43 L HN -0.067 nan 8.230 nan 0.000 0.433 44 K N -1.288 119.072 120.400 -0.068 0.000 2.525 44 K HA 0.021 4.341 4.320 -0.000 0.000 0.192 44 K C 0.550 177.091 176.600 -0.099 0.000 1.029 44 K CA 0.172 56.418 56.287 -0.068 0.000 1.029 44 K CB 0.080 32.548 32.500 -0.054 0.000 0.814 44 K HN 0.137 nan 8.250 nan 0.000 0.503 45 T N -0.605 113.869 114.554 -0.134 0.000 2.926 45 T HA 0.202 4.552 4.350 -0.000 0.000 0.289 45 T C 0.636 175.185 174.700 -0.251 0.000 1.054 45 T CA -0.809 61.154 62.100 -0.228 0.000 1.015 45 T CB 1.367 70.100 68.868 -0.224 0.000 1.167 45 T HN -0.121 nan 8.240 nan 0.000 0.526 46 K N 0.834 120.989 120.400 -0.408 0.000 2.152 46 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 46 K C 0.189 176.734 176.600 -0.091 0.000 1.048 46 K CA 1.150 57.302 56.287 -0.225 0.000 0.933 46 K CB -0.037 32.326 32.500 -0.229 0.000 0.721 46 K HN 0.484 nan 8.250 nan 0.000 0.447 47 D N 1.756 122.037 120.400 -0.199 0.000 2.856 47 D HA -0.026 4.614 4.640 -0.000 0.000 0.242 47 D C 0.922 176.912 176.300 -0.516 0.000 1.226 47 D CA 0.083 53.818 54.000 -0.441 0.000 0.855 47 D CB -0.631 39.988 40.800 -0.301 0.000 1.065 47 D HN 0.343 nan 8.370 nan 0.000 0.462 48 N N 0.514 119.086 118.700 -0.213 0.000 2.573 48 N HA -0.158 4.582 4.740 -0.000 0.000 0.187 48 N C 0.966 176.468 175.510 -0.013 0.000 1.107 48 N CA 0.370 53.370 53.050 -0.084 0.000 0.918 48 N CB -0.303 38.191 38.487 0.011 0.000 0.966 48 N HN 0.318 nan 8.380 nan 0.000 0.448 49 F N -0.765 119.192 119.950 0.013 0.000 2.639 49 F HA 0.491 5.018 4.527 -0.000 0.000 0.302 49 F C -0.241 175.556 175.800 -0.004 0.000 1.097 49 F CA -0.967 57.060 58.000 0.044 0.000 1.294 49 F CB -0.045 39.061 39.000 0.176 0.000 1.027 49 F HN -0.262 nan 8.300 nan 0.000 0.550 50 V N 1.842 121.557 119.914 -0.333 0.000 2.378 50 V HA 0.723 4.843 4.120 -0.000 0.000 0.288 50 V C 0.215 176.239 176.094 -0.116 0.000 1.016 50 V CA -1.334 60.797 62.300 -0.283 0.000 0.840 50 V CB 0.814 32.375 31.823 -0.436 0.000 0.994 50 V HN 0.348 nan 8.190 nan 0.000 0.431 51 A N 5.874 128.709 122.820 0.025 0.000 2.309 51 A HA 0.778 5.098 4.320 -0.000 0.000 0.290 51 A C 0.141 177.816 177.584 0.153 0.000 1.206 51 A CA -0.344 51.741 52.037 0.081 0.000 0.850 51 A CB 0.248 19.312 19.000 0.106 0.000 1.118 51 A HN 0.858 nan 8.150 nan 0.000 0.523 52 R N 1.734 122.239 120.500 0.008 0.000 2.628 52 R HA 0.263 4.603 4.340 -0.000 0.000 0.288 52 R C -1.181 175.121 176.300 0.004 0.000 0.980 52 R CA -0.846 55.236 56.100 -0.029 0.000 0.891 52 R CB 1.781 31.945 30.300 -0.227 0.000 1.188 52 R HN 0.824 nan 8.270 nan 0.000 0.450 53 D N 3.772 124.198 120.400 0.043 0.000 2.450 53 D HA 0.016 4.656 4.640 -0.000 0.000 0.247 53 D C -1.440 174.910 176.300 0.083 0.000 1.162 53 D CA -1.499 52.537 54.000 0.061 0.000 0.879 53 D CB 1.347 42.189 40.800 0.070 0.000 1.163 53 D HN 0.222 nan 8.370 nan 0.000 0.472 54 P HA -0.065 nan 4.420 nan 0.000 0.222 54 P C 0.513 177.860 177.300 0.079 0.000 1.147 54 P CA 0.621 63.758 63.100 0.062 0.000 0.790 54 P CB 0.405 32.130 31.700 0.041 0.000 0.780 55 D N -0.488 119.961 120.400 0.082 0.000 2.224 55 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 55 D C 1.077 177.438 176.300 0.102 0.000 0.965 55 D CA 0.319 54.370 54.000 0.084 0.000 0.852 55 D CB -0.442 40.405 40.800 0.079 0.000 0.947 55 D HN 0.209 nan 8.370 nan 0.000 0.494 56 L N 0.944 122.244 121.223 0.129 0.000 2.529 56 L HA -0.024 4.315 4.340 -0.000 0.000 0.287 56 L C 0.353 177.295 176.870 0.120 0.000 1.241 56 L CA 0.209 55.135 54.840 0.142 0.000 0.857 56 L CB 0.334 42.522 42.059 0.215 0.000 1.113 56 L HN -0.138 nan 8.230 nan 0.000 0.504 57 L N 3.811 125.078 121.223 0.073 0.000 2.298 57 L HA 0.440 4.780 4.340 -0.000 0.000 0.284 57 L C 0.068 176.923 176.870 -0.025 0.000 1.013 57 L CA -0.614 54.251 54.840 0.041 0.000 0.824 57 L CB 1.249 43.332 42.059 0.040 0.000 1.221 57 L HN 0.532 nan 8.230 nan 0.000 0.418 58 R N 2.753 123.256 120.500 0.006 0.000 2.537 58 R HA 0.235 4.575 4.340 -0.000 0.000 0.280 58 R C 0.523 176.738 176.300 -0.141 0.000 1.058 58 R CA 0.116 56.189 56.100 -0.044 0.000 1.057 58 R CB 0.787 31.126 30.300 0.065 0.000 0.973 58 R HN 0.635 nan 8.270 nan 0.000 0.438 59 L N 1.019 122.070 121.223 -0.287 0.000 2.749 59 L HA 0.115 4.455 4.340 -0.000 0.000 0.242 59 L C 0.862 177.467 176.870 -0.441 0.000 1.103 59 L CA 0.172 54.797 54.840 -0.359 0.000 0.906 59 L CB 0.816 42.558 42.059 -0.529 0.000 1.228 59 L HN 0.693 nan 8.230 nan 0.000 0.517 60 T N -2.085 112.191 114.554 -0.464 0.000 3.374 60 T HA 0.613 4.963 4.350 -0.000 0.000 0.267 60 T C 0.763 175.364 174.700 -0.166 0.000 0.996 60 T CA 0.022 61.900 62.100 -0.369 0.000 0.977 60 T CB 0.495 69.040 68.868 -0.537 0.000 1.149 60 T HN 0.346 nan 8.240 nan 0.000 0.517 61 G N 2.530 111.269 108.800 -0.103 0.000 2.552 61 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.265 61 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.265 61 G C 1.148 176.065 174.900 0.029 0.000 1.234 61 G CA 0.545 45.630 45.100 -0.026 0.000 0.944 61 G HN 1.300 nan 8.290 nan 0.000 0.568 62 S N -0.866 114.865 115.700 0.050 0.000 2.461 62 S HA 0.300 4.770 4.470 -0.000 0.000 0.228 62 S C 0.685 175.377 174.600 0.155 0.000 1.005 62 S CA 1.938 60.184 58.200 0.078 0.000 0.942 62 S CB 0.010 63.233 63.200 0.038 0.000 0.776 62 S HN 1.970 nan 8.310 nan 0.000 0.514 63 H N -0.071 119.002 119.070 0.005 0.000 3.114 63 H HA 0.446 5.002 4.556 -0.000 0.000 0.325 63 H C -3.237 172.081 175.328 -0.016 0.000 1.206 63 H CA -1.048 55.004 56.048 0.007 0.000 1.316 63 H CB 0.620 30.371 29.762 -0.019 0.000 1.981 63 H HN -0.023 nan 8.280 nan 0.000 0.527 64 P HA 0.067 nan 4.420 nan 0.000 0.270 64 P C -1.009 176.165 177.300 -0.210 0.000 1.223 64 P CA -0.260 62.407 63.100 -0.721 0.000 0.785 64 P CB 0.349 31.780 31.700 -0.448 0.000 0.923 65 F N 2.833 122.621 119.950 -0.270 0.000 2.444 65 F HA 0.252 4.779 4.527 -0.000 0.000 0.360 65 F C 0.076 175.799 175.800 -0.129 0.000 1.106 65 F CA -0.378 57.536 58.000 -0.142 0.000 1.170 65 F CB -0.238 38.729 39.000 -0.056 0.000 1.113 65 F HN 0.161 nan 8.300 nan 0.000 0.521 66 N N 4.425 122.839 118.700 -0.477 0.000 2.461 66 N HA 0.383 5.123 4.740 -0.000 0.000 0.284 66 N C -1.472 173.628 175.510 -0.684 0.000 1.049 66 N CA -0.360 52.380 53.050 -0.517 0.000 0.889 66 N CB 2.044 40.153 38.487 -0.631 0.000 1.365 66 N HN 0.549 nan 8.380 nan 0.000 0.499 67 S N 0.360 115.722 115.700 -0.563 0.000 2.607 67 S HA 0.616 5.086 4.470 -0.000 0.000 0.273 67 S C -1.053 173.564 174.600 0.028 0.000 1.148 67 S CA -0.960 56.994 58.200 -0.411 0.000 0.833 67 S CB 2.631 65.458 63.200 -0.621 0.000 1.130 67 S HN 0.594 nan 8.310 nan 0.000 0.470 68 E N 0.056 120.314 120.200 0.097 0.000 2.343 68 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 68 E C -3.106 173.601 176.600 0.178 0.000 0.895 68 E CA -2.475 54.084 56.400 0.265 0.000 0.767 68 E CB 2.044 31.956 29.700 0.352 0.000 1.248 68 E HN 0.373 nan 8.360 nan 0.000 0.440 69 P HA 0.227 nan 4.420 nan 0.000 0.274 69 P C -2.531 174.864 177.300 0.158 0.000 1.256 69 P CA -1.579 61.615 63.100 0.156 0.000 0.795 69 P CB -0.441 31.349 31.700 0.150 0.000 1.038 70 P HA 0.089 nan 4.420 nan 0.000 0.271 70 P C 1.032 178.434 177.300 0.170 0.000 1.216 70 P CA -0.264 62.918 63.100 0.136 0.000 0.776 70 P CB 0.234 31.998 31.700 0.107 0.000 0.881 71 L N 3.304 124.636 121.223 0.181 0.000 2.081 71 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 71 L C 1.872 178.888 176.870 0.244 0.000 1.080 71 L CA 2.365 57.347 54.840 0.238 0.000 0.754 71 L CB -1.482 40.703 42.059 0.211 0.000 0.893 71 L HN 0.336 nan 8.230 nan 0.000 0.433 72 T N -0.909 113.746 114.554 0.168 0.000 2.857 72 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 72 T C 1.860 176.688 174.700 0.213 0.000 1.048 72 T CA 1.261 63.465 62.100 0.172 0.000 1.139 72 T CB -0.057 68.871 68.868 0.101 0.000 0.874 72 T HN 0.350 nan 8.240 nan 0.000 0.455 73 K N 0.680 121.184 120.400 0.173 0.000 2.057 73 K HA 0.004 4.324 4.320 -0.000 0.000 0.206 73 K C 2.212 178.924 176.600 0.188 0.000 1.050 73 K CA 0.813 57.194 56.287 0.156 0.000 0.935 73 K CB -0.384 32.190 32.500 0.123 0.000 0.715 73 K HN 0.155 nan 8.250 nan 0.000 0.439 74 L N 0.542 121.905 121.223 0.233 0.000 1.989 74 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 74 L C 2.285 179.369 176.870 0.355 0.000 1.071 74 L CA 1.698 56.704 54.840 0.276 0.000 0.749 74 L CB -0.707 41.530 42.059 0.297 0.000 0.890 74 L HN 0.155 nan 8.230 nan 0.000 0.431 75 Y N 0.297 120.766 120.300 0.282 0.000 2.145 75 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 75 Y C 2.244 178.220 175.900 0.127 0.000 1.145 75 Y CA 2.113 60.371 58.100 0.263 0.000 1.148 75 Y CB -0.299 38.304 38.460 0.239 0.000 0.981 75 Y HN 0.319 nan 8.280 nan 0.000 0.507 76 D N -0.603 119.932 120.400 0.225 0.000 2.178 76 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 76 D C 2.275 178.561 176.300 -0.024 0.000 0.980 76 D CA 1.505 55.555 54.000 0.084 0.000 0.842 76 D CB -0.303 40.578 40.800 0.136 0.000 0.948 76 D HN 0.317 nan 8.370 nan 0.000 0.472 77 S N -0.236 115.481 115.700 0.029 0.000 2.440 77 S HA 0.099 4.569 4.470 -0.000 0.000 0.238 77 S C 1.385 175.968 174.600 -0.029 0.000 1.010 77 S CA 0.816 59.030 58.200 0.023 0.000 0.972 77 S CB -0.324 62.925 63.200 0.081 0.000 0.774 77 S HN 0.583 nan 8.310 nan 0.000 0.501 78 G N 0.755 109.470 108.800 -0.141 0.000 2.632 78 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.224 78 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.224 78 G C 0.230 175.128 174.900 -0.004 0.000 1.341 78 G CA -0.093 44.829 45.100 -0.295 0.000 0.880 78 G HN 0.253 nan 8.290 nan 0.000 0.566 79 F N 0.495 120.349 119.950 -0.161 0.000 2.154 79 F HA 0.184 4.711 4.527 -0.000 0.000 0.301 79 F C 1.375 177.492 175.800 0.529 0.000 1.087 79 F CA 1.838 60.002 58.000 0.273 0.000 1.274 79 F CB -0.013 39.092 39.000 0.174 0.000 1.009 79 F HN 0.333 nan 8.300 nan 0.000 0.485 80 L N 1.285 122.672 121.223 0.274 0.000 2.287 80 L HA 0.298 4.638 4.340 -0.000 0.000 0.287 80 L C 0.016 176.936 176.870 0.084 0.000 1.022 80 L CA -0.699 54.208 54.840 0.112 0.000 0.814 80 L CB 1.470 43.626 42.059 0.161 0.000 1.217 80 L HN -0.218 nan 8.230 nan 0.000 0.420 81 T N 4.292 118.848 114.554 0.004 0.000 2.832 81 T HA 0.249 4.599 4.350 -0.000 0.000 0.296 81 T C -2.329 172.360 174.700 -0.018 0.000 0.968 81 T CA -1.084 61.017 62.100 0.002 0.000 1.107 81 T CB 0.879 69.692 68.868 -0.092 0.000 0.916 81 T HN 0.350 nan 8.240 nan 0.000 0.517 82 P HA 0.090 nan 4.420 nan 0.000 0.268 82 P C 1.140 178.425 177.300 -0.024 0.000 1.205 82 P CA -0.200 62.893 63.100 -0.011 0.000 0.771 82 P CB 0.632 32.340 31.700 0.013 0.000 0.858 83 V N 2.733 122.601 119.914 -0.077 0.000 2.278 83 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 83 V C 2.650 178.740 176.094 -0.006 0.000 1.062 83 V CA 3.041 65.275 62.300 -0.110 0.000 1.038 83 V CB -1.490 30.255 31.823 -0.130 0.000 0.646 83 V HN 0.769 nan 8.190 nan 0.000 0.447 84 S N -0.576 115.118 115.700 -0.010 0.000 2.423 84 S HA -0.064 4.405 4.470 -0.000 0.000 0.231 84 S C 1.724 176.364 174.600 0.066 0.000 1.014 84 S CA 1.344 59.540 58.200 -0.005 0.000 0.965 84 S CB -0.434 62.764 63.200 -0.004 0.000 0.785 84 S HN 0.555 nan 8.310 nan 0.000 0.495 85 L N 0.498 121.769 121.223 0.080 0.000 2.592 85 L HA 0.308 4.648 4.340 -0.000 0.000 0.227 85 L C 1.091 178.043 176.870 0.137 0.000 1.127 85 L CA -0.193 54.712 54.840 0.108 0.000 0.884 85 L CB -0.485 41.627 42.059 0.088 0.000 1.065 85 L HN 0.425 nan 8.230 nan 0.000 0.457 86 H N 0.643 119.721 119.070 0.014 0.000 2.852 86 H HA 0.025 4.581 4.556 -0.000 0.000 0.362 86 H C 0.137 175.514 175.328 0.082 0.000 1.122 86 H CA -0.461 55.559 56.048 -0.047 0.000 1.419 86 H CB 0.564 30.142 29.762 -0.305 0.000 1.401 86 H HN 0.065 nan 8.280 nan 0.000 0.609 87 F N 2.620 122.607 119.950 0.062 0.000 2.410 87 F HA 0.482 5.009 4.527 -0.000 0.000 0.334 87 F C -1.147 174.890 175.800 0.394 0.000 1.134 87 F CA -0.917 57.196 58.000 0.188 0.000 1.227 87 F CB 0.318 39.393 39.000 0.126 0.000 1.194 87 F HN 0.160 nan 8.300 nan 0.000 0.571 88 V N 3.673 123.757 119.914 0.283 0.000 2.604 88 V HA 0.559 4.679 4.120 -0.000 0.000 0.305 88 V C -0.484 175.786 176.094 0.294 0.000 1.043 88 V CA -0.902 61.484 62.300 0.144 0.000 0.888 88 V CB 1.606 33.423 31.823 -0.009 0.000 0.995 88 V HN 0.841 nan 8.190 nan 0.000 0.429 89 R N 3.552 124.220 120.500 0.280 0.000 2.507 89 R HA 0.435 4.775 4.340 -0.000 0.000 0.298 89 R C -1.593 174.815 176.300 0.180 0.000 1.087 89 R CA -0.359 55.934 56.100 0.322 0.000 0.917 89 R CB 1.359 31.964 30.300 0.509 0.000 1.173 89 R HN 0.764 nan 8.270 nan 0.000 0.472 90 N N 2.625 121.404 118.700 0.132 0.000 2.372 90 N HA 0.258 4.998 4.740 -0.000 0.000 0.285 90 N C 0.600 176.151 175.510 0.069 0.000 1.008 90 N CA -0.530 52.625 53.050 0.176 0.000 0.880 90 N CB 1.346 39.949 38.487 0.194 0.000 1.239 90 N HN 0.502 nan 8.380 nan 0.000 0.484 91 H N 0.309 119.381 119.070 0.004 0.000 2.470 91 H HA 0.101 4.657 4.556 -0.000 0.000 0.289 91 H C 1.083 176.415 175.328 0.006 0.000 1.033 91 H CA 0.767 56.821 56.048 0.011 0.000 1.331 91 H CB 1.002 30.692 29.762 -0.119 0.000 1.414 91 H HN 0.603 nan 8.280 nan 0.000 0.545 92 G N 0.234 109.093 108.800 0.099 0.000 3.003 92 G HA2 0.291 4.251 3.960 -0.000 0.000 0.243 92 G HA3 0.291 4.251 3.960 -0.000 0.000 0.243 92 G C -2.708 172.164 174.900 -0.047 0.000 1.176 92 G CA -0.740 44.372 45.100 0.019 0.000 0.812 92 G HN -0.109 nan 8.290 nan 0.000 0.584 93 P HA 0.431 nan 4.420 nan 0.000 0.281 93 P C -0.241 176.992 177.300 -0.112 0.000 1.249 93 P CA -0.468 62.675 63.100 0.072 0.000 0.810 93 P CB 1.573 33.390 31.700 0.195 0.000 1.008 94 V N 4.241 124.088 119.914 -0.112 0.000 2.479 94 V HA 0.111 4.231 4.120 -0.000 0.000 0.281 94 V C -1.675 174.301 176.094 -0.197 0.000 1.031 94 V CA -1.026 61.074 62.300 -0.332 0.000 1.038 94 V CB -0.217 31.567 31.823 -0.065 0.000 0.981 94 V HN 0.605 nan 8.190 nan 0.000 0.478 95 P HA 0.056 nan 4.420 nan 0.000 0.271 95 P C -0.805 176.464 177.300 -0.052 0.000 1.216 95 P CA -0.257 62.714 63.100 -0.214 0.000 0.771 95 P CB 0.327 31.865 31.700 -0.272 0.000 0.864 96 Y N 3.814 124.010 120.300 -0.172 0.000 2.496 96 Y HA 0.226 4.776 4.550 -0.000 0.000 0.334 96 Y C -0.415 175.347 175.900 -0.230 0.000 1.080 96 Y CA 0.237 58.054 58.100 -0.472 0.000 1.355 96 Y CB 0.355 38.440 38.460 -0.626 0.000 1.193 96 Y HN 0.085 nan 8.280 nan 0.000 0.523 97 V N 9.749 129.256 119.914 -0.677 0.000 2.376 97 V HA 0.316 4.436 4.120 -0.000 0.000 0.287 97 V C -2.175 173.544 176.094 -0.626 0.000 1.015 97 V CA -1.869 60.174 62.300 -0.429 0.000 0.834 97 V CB 1.535 33.222 31.823 -0.227 0.000 1.001 97 V HN 0.719 nan 8.190 nan 0.000 0.428 98 P HA 0.177 nan 4.420 nan 0.000 0.276 98 P C 0.272 177.446 177.300 -0.210 0.000 1.253 98 P CA -0.153 62.755 63.100 -0.320 0.000 0.766 98 P CB 0.895 32.531 31.700 -0.105 0.000 0.845 99 D N 2.393 122.665 120.400 -0.213 0.000 2.228 99 D HA -0.241 4.399 4.640 -0.000 0.000 0.203 99 D C -0.051 176.153 176.300 -0.161 0.000 0.988 99 D CA 1.337 55.218 54.000 -0.198 0.000 0.864 99 D CB -0.506 40.179 40.800 -0.191 0.000 0.928 99 D HN 0.378 nan 8.370 nan 0.000 0.469 100 E N -0.272 119.863 120.200 -0.109 0.000 2.325 100 E HA 0.299 4.649 4.350 -0.000 0.000 0.295 100 E C 0.099 176.666 176.600 -0.055 0.000 1.461 100 E CA -0.263 56.089 56.400 -0.080 0.000 1.698 100 E CB -0.353 29.316 29.700 -0.053 0.000 1.496 100 E HN 0.447 nan 8.360 nan 0.000 0.474 101 N N -0.024 118.640 118.700 -0.059 0.000 2.476 101 N HA -0.066 4.674 4.740 -0.000 0.000 0.327 101 N C 1.123 176.639 175.510 0.009 0.000 0.880 101 N CA 0.232 53.274 53.050 -0.014 0.000 1.291 101 N CB -0.207 38.285 38.487 0.008 0.000 2.379 101 N HN 0.217 nan 8.380 nan 0.000 1.159 102 I N 2.339 122.885 120.570 -0.039 0.000 2.181 102 I HA -0.395 3.775 4.170 -0.000 0.000 0.240 102 I C 1.870 177.987 176.117 0.000 0.000 1.006 102 I CA 2.052 63.319 61.300 -0.055 0.000 1.284 102 I CB -0.225 37.631 38.000 -0.239 0.000 0.990 102 I HN 0.216 nan 8.210 nan 0.000 0.408 103 L N -0.112 121.071 121.223 -0.067 0.000 2.187 103 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 103 L C 1.805 178.708 176.870 0.055 0.000 1.100 103 L CA 1.540 56.362 54.840 -0.029 0.000 0.765 103 L CB -0.636 41.388 42.059 -0.057 0.000 0.904 103 L HN 0.323 nan 8.230 nan 0.000 0.437 104 D N -1.763 118.679 120.400 0.069 0.000 2.350 104 D HA -0.118 4.522 4.640 -0.000 0.000 0.213 104 D C 0.630 177.007 176.300 0.129 0.000 1.031 104 D CA -0.086 53.962 54.000 0.079 0.000 0.861 104 D CB 0.063 40.888 40.800 0.042 0.000 0.926 104 D HN 0.347 nan 8.370 nan 0.000 0.520 105 W N 3.541 124.835 121.300 -0.010 0.000 2.549 105 W HA -0.086 4.574 4.660 -0.000 0.000 0.343 105 W C 0.130 176.667 176.519 0.030 0.000 1.278 105 W CA 0.756 58.109 57.345 0.013 0.000 1.277 105 W CB 0.013 29.487 29.460 0.023 0.000 1.249 105 W HN -0.047 nan 8.180 nan 0.000 0.572 106 E N 3.935 123.956 120.200 -0.297 0.000 2.191 106 E HA 0.463 4.813 4.350 -0.000 0.000 0.274 106 E C -1.350 175.090 176.600 -0.267 0.000 0.948 106 E CA -0.629 55.659 56.400 -0.186 0.000 0.802 106 E CB 1.805 31.409 29.700 -0.160 0.000 1.137 106 E HN 0.176 nan 8.360 nan 0.000 0.397 107 V N 2.654 122.519 119.914 -0.080 0.000 2.656 107 V HA 0.300 4.420 4.120 -0.000 0.000 0.307 107 V C -0.492 175.545 176.094 -0.095 0.000 1.051 107 V CA -0.765 61.505 62.300 -0.050 0.000 0.893 107 V CB 1.868 33.724 31.823 0.054 0.000 0.999 107 V HN 0.659 nan 8.190 nan 0.000 0.426 108 S N 5.059 120.699 115.700 -0.101 0.000 2.438 108 S HA 0.637 5.107 4.470 -0.000 0.000 0.316 108 S C -0.761 173.742 174.600 -0.163 0.000 1.084 108 S CA -0.436 57.686 58.200 -0.129 0.000 1.107 108 S CB 0.286 63.436 63.200 -0.083 0.000 0.981 108 S HN 0.461 nan 8.310 nan 0.000 0.466 109 I N 5.741 126.139 120.570 -0.286 0.000 2.307 109 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 109 I C 0.356 176.375 176.117 -0.163 0.000 1.054 109 I CA 0.055 61.191 61.300 -0.274 0.000 1.218 109 I CB 0.674 38.370 38.000 -0.507 0.000 1.398 109 I HN 0.738 nan 8.210 nan 0.000 0.475 110 E N 3.877 124.010 120.200 -0.111 0.000 2.428 110 E HA 0.957 5.307 4.350 -0.000 0.000 0.259 110 E C 0.195 176.729 176.600 -0.111 0.000 0.930 110 E CA -1.207 55.144 56.400 -0.082 0.000 0.823 110 E CB 1.701 31.361 29.700 -0.066 0.000 1.403 110 E HN 0.511 nan 8.360 nan 0.000 0.415 111 G N 0.250 108.982 108.800 -0.112 0.000 2.408 111 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.204 111 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.204 111 G C -0.404 174.421 174.900 -0.125 0.000 1.186 111 G CA -0.378 44.620 45.100 -0.169 0.000 1.139 111 G HN 0.446 nan 8.290 nan 0.000 0.563 112 M N 2.023 121.534 119.600 -0.148 0.000 3.709 112 M HA 0.390 4.870 4.480 -0.000 0.000 0.197 112 M C 0.580 176.842 176.300 -0.064 0.000 1.511 112 M CA 0.065 55.307 55.300 -0.096 0.000 1.688 112 M CB -0.631 31.908 32.600 -0.102 0.000 1.109 112 M HN 0.734 nan 8.290 nan 0.000 0.561 113 V N -3.229 116.659 119.914 -0.042 0.000 3.113 113 V HA 0.455 4.574 4.120 -0.000 0.000 0.316 113 V C 0.749 176.846 176.094 0.005 0.000 1.125 113 V CA -0.822 61.473 62.300 -0.008 0.000 1.026 113 V CB 2.030 33.863 31.823 0.016 0.000 1.080 113 V HN 0.478 nan 8.190 nan 0.000 0.444 114 E N 0.374 120.586 120.200 0.019 0.000 2.086 114 E HA 0.028 4.378 4.350 -0.000 0.000 0.190 114 E C 0.110 176.727 176.600 0.030 0.000 0.975 114 E CA 1.384 57.795 56.400 0.018 0.000 0.813 114 E CB 0.315 30.024 29.700 0.016 0.000 0.768 114 E HN 0.902 nan 8.360 nan 0.000 0.457 115 T N 3.052 117.640 114.554 0.055 0.000 3.226 115 T HA 0.314 4.664 4.350 -0.000 0.000 0.378 115 T C -2.653 172.140 174.700 0.155 0.000 1.380 115 T CA -1.321 60.825 62.100 0.076 0.000 1.396 115 T CB 1.430 70.327 68.868 0.049 0.000 1.044 115 T HN -0.003 nan 8.240 nan 0.000 0.586 116 P HA 0.241 nan 4.420 nan 0.000 0.267 116 P C -0.870 176.566 177.300 0.227 0.000 1.200 116 P CA -0.085 63.090 63.100 0.126 0.000 0.772 116 P CB 0.191 31.917 31.700 0.043 0.000 0.855 117 Y N -1.540 118.772 120.300 0.020 0.000 2.689 117 Y HA 0.648 5.198 4.550 -0.000 0.000 0.333 117 Y C -1.386 174.534 175.900 0.033 0.000 1.208 117 Y CA -1.319 56.800 58.100 0.031 0.000 1.055 117 Y CB 1.492 39.981 38.460 0.049 0.000 1.304 117 Y HN 0.092 nan 8.280 nan 0.000 0.455 118 K N 2.327 122.774 120.400 0.078 0.000 2.397 118 K HA 0.641 4.961 4.320 -0.000 0.000 0.253 118 K C -1.946 174.718 176.600 0.106 0.000 0.932 118 K CA -0.791 55.480 56.287 -0.026 0.000 0.795 118 K CB 3.005 35.502 32.500 -0.006 0.000 1.159 118 K HN 0.727 nan 8.250 nan 0.000 0.424 119 I N 2.645 123.256 120.570 0.068 0.000 2.569 119 I HA 0.240 4.410 4.170 -0.000 0.000 0.296 119 I C -0.917 175.282 176.117 0.138 0.000 1.028 119 I CA -0.494 60.924 61.300 0.197 0.000 1.082 119 I CB 1.400 39.613 38.000 0.355 0.000 1.264 119 I HN 0.483 nan 8.210 nan 0.000 0.429 120 K N 5.905 126.393 120.400 0.147 0.000 2.139 120 K HA 0.331 4.650 4.320 -0.000 0.000 0.243 120 K C 0.469 177.170 176.600 0.169 0.000 0.983 120 K CA -0.738 55.632 56.287 0.139 0.000 0.890 120 K CB 1.368 33.928 32.500 0.100 0.000 1.090 120 K HN 0.496 nan 8.250 nan 0.000 0.445 121 L N 2.137 123.471 121.223 0.186 0.000 2.012 121 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 121 L C 2.291 179.202 176.870 0.067 0.000 1.073 121 L CA 2.555 57.479 54.840 0.140 0.000 0.748 121 L CB -1.080 41.053 42.059 0.124 0.000 0.891 121 L HN 0.960 nan 8.230 nan 0.000 0.431 122 S N -1.289 114.443 115.700 0.055 0.000 2.380 122 S HA -0.241 4.229 4.470 -0.000 0.000 0.229 122 S C 1.704 176.346 174.600 0.071 0.000 1.043 122 S CA 1.550 59.773 58.200 0.039 0.000 1.038 122 S CB -0.904 62.316 63.200 0.034 0.000 0.872 122 S HN 0.586 nan 8.310 nan 0.000 0.456 123 D N 1.217 121.681 120.400 0.107 0.000 2.249 123 D HA 0.194 4.834 4.640 -0.000 0.000 0.205 123 D C 1.919 178.351 176.300 0.220 0.000 0.962 123 D CA 0.497 54.575 54.000 0.131 0.000 0.860 123 D CB -0.237 40.639 40.800 0.128 0.000 0.955 123 D HN 0.417 nan 8.370 nan 0.000 0.505 124 I N 1.050 121.787 120.570 0.279 0.000 2.118 124 I HA -0.312 3.857 4.170 -0.000 0.000 0.241 124 I C 2.592 178.924 176.117 0.359 0.000 1.070 124 I CA 1.135 62.683 61.300 0.413 0.000 1.327 124 I CB -0.177 38.003 38.000 0.301 0.000 1.034 124 I HN -0.042 nan 8.210 nan 0.000 0.405 125 M N -0.307 119.402 119.600 0.181 0.000 2.080 125 M HA -0.248 4.232 4.480 -0.000 0.000 0.260 125 M C 2.110 178.497 176.300 0.146 0.000 1.068 125 M CA 1.919 57.306 55.300 0.144 0.000 1.109 125 M CB -0.656 31.942 32.600 -0.003 0.000 1.342 125 M HN 0.228 nan 8.290 nan 0.000 0.405 126 E N -0.143 120.120 120.200 0.104 0.000 2.158 126 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 126 E C 1.855 178.464 176.600 0.016 0.000 0.982 126 E CA 0.886 57.320 56.400 0.056 0.000 0.823 126 E CB 0.078 29.800 29.700 0.037 0.000 0.766 126 E HN 0.616 nan 8.360 nan 0.000 0.468 127 Q N -0.935 118.861 119.800 -0.007 0.000 2.350 127 Q HA 0.160 4.500 4.340 -0.000 0.000 0.225 127 Q C -0.265 175.510 176.000 -0.375 0.000 0.878 127 Q CA -0.018 55.657 55.803 -0.213 0.000 0.935 127 Q CB 0.696 29.222 28.738 -0.353 0.000 1.099 127 Q HN 0.065 nan 8.270 nan 0.000 0.527 128 F N 1.398 121.395 119.950 0.078 0.000 2.458 128 F HA 0.235 4.762 4.527 -0.000 0.000 0.330 128 F C 0.251 176.083 175.800 0.053 0.000 1.082 128 F CA -1.338 56.714 58.000 0.087 0.000 0.995 128 F CB 1.090 40.172 39.000 0.137 0.000 1.170 128 F HN -0.174 nan 8.300 nan 0.000 0.478 129 D N 3.120 123.642 120.400 0.203 0.000 2.493 129 D HA 0.062 4.702 4.640 -0.000 0.000 0.240 129 D C 0.036 176.273 176.300 -0.105 0.000 1.142 129 D CA 0.565 54.548 54.000 -0.027 0.000 0.872 129 D CB 0.687 41.428 40.800 -0.099 0.000 1.173 129 D HN 0.075 nan 8.370 nan 0.000 0.467 130 I N 2.615 123.053 120.570 -0.220 0.000 2.437 130 I HA 0.279 4.448 4.170 -0.000 0.000 0.298 130 I C -0.028 175.831 176.117 -0.430 0.000 0.984 130 I CA -0.556 60.661 61.300 -0.137 0.000 1.214 130 I CB 0.391 38.413 38.000 0.037 0.000 1.365 130 I HN 0.253 nan 8.210 nan 0.000 0.469 131 Y N 2.232 122.557 120.300 0.043 0.000 2.576 131 Y HA 0.510 5.060 4.550 -0.000 0.000 0.346 131 Y C 0.165 176.072 175.900 0.012 0.000 1.018 131 Y CA -0.755 57.363 58.100 0.030 0.000 1.050 131 Y CB 2.110 40.587 38.460 0.027 0.000 1.280 131 Y HN 0.392 nan 8.280 nan 0.000 0.474 132 S N 0.770 116.582 115.700 0.186 0.000 2.532 132 S HA 0.776 5.246 4.470 -0.000 0.000 0.299 132 S C -1.012 173.617 174.600 0.050 0.000 1.105 132 S CA -0.704 57.558 58.200 0.104 0.000 1.018 132 S CB 1.712 64.953 63.200 0.067 0.000 1.021 132 S HN 0.577 nan 8.310 nan 0.000 0.483 133 T N 4.653 119.226 114.554 0.031 0.000 3.041 133 T HA 0.509 4.859 4.350 -0.000 0.000 0.321 133 T C -3.075 171.598 174.700 -0.045 0.000 1.184 133 T CA -1.155 60.921 62.100 -0.040 0.000 1.050 133 T CB 2.115 70.987 68.868 0.006 0.000 1.159 133 T HN 0.258 nan 8.240 nan 0.000 0.469 134 P HA 0.553 nan 4.420 nan 0.000 0.287 134 P C -1.211 176.100 177.300 0.019 0.000 1.281 134 P CA -0.518 62.519 63.100 -0.105 0.000 0.781 134 P CB 0.952 32.519 31.700 -0.221 0.000 0.903 135 V N 3.372 123.348 119.914 0.103 0.000 2.569 135 V HA 0.247 4.367 4.120 -0.000 0.000 0.301 135 V C 0.238 176.325 176.094 -0.012 0.000 1.044 135 V CA -0.450 61.899 62.300 0.081 0.000 0.874 135 V CB 1.994 33.876 31.823 0.098 0.000 1.002 135 V HN 0.422 nan 8.190 nan 0.000 0.424 136 T N 6.825 121.283 114.554 -0.159 0.000 2.814 136 T HA 0.376 4.726 4.350 -0.000 0.000 0.297 136 T C 0.059 174.611 174.700 -0.246 0.000 0.956 136 T CA 0.110 61.993 62.100 -0.361 0.000 1.123 136 T CB 0.181 68.785 68.868 -0.440 0.000 0.902 136 T HN 0.389 nan 8.240 nan 0.000 0.528 137 M N 3.568 123.039 119.600 -0.215 0.000 2.423 137 M HA 0.601 5.081 4.480 -0.000 0.000 0.335 137 M C -0.336 175.860 176.300 -0.173 0.000 1.177 137 M CA -0.806 54.440 55.300 -0.090 0.000 1.038 137 M CB 1.831 34.499 32.600 0.114 0.000 1.641 137 M HN 0.454 nan 8.290 nan 0.000 0.455 138 V N 2.723 122.520 119.914 -0.195 0.000 2.851 138 V HA 0.395 4.515 4.120 -0.000 0.000 0.307 138 V C -1.322 174.570 176.094 -0.336 0.000 1.129 138 V CA -0.821 61.217 62.300 -0.436 0.000 0.932 138 V CB 1.855 33.197 31.823 -0.803 0.000 1.024 138 V HN 1.069 nan 8.190 nan 0.000 0.426 139 C N 5.536 124.435 119.300 -0.668 0.000 2.593 139 C HA 0.679 5.139 4.460 -0.000 0.000 0.409 139 C C 2.182 176.888 174.990 -0.473 0.000 1.304 139 C CA 0.329 59.002 59.018 -0.575 0.000 2.007 139 C CB 0.498 27.559 27.740 -1.131 0.000 2.614 139 C HN 1.448 nan 8.230 nan 0.000 0.585 140 A N 4.240 126.895 122.820 -0.275 0.000 1.927 140 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 140 A C 2.125 179.547 177.584 -0.270 0.000 1.185 140 A CA 2.307 54.230 52.037 -0.191 0.000 0.639 140 A CB -1.151 17.794 19.000 -0.092 0.000 0.820 140 A HN 1.387 nan 8.150 nan 0.000 0.451 141 G N -0.712 107.815 108.800 -0.455 0.000 2.776 141 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.209 141 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.209 141 G C 0.634 175.176 174.900 -0.596 0.000 1.145 141 G CA 0.433 45.214 45.100 -0.531 0.000 0.791 141 G HN 0.590 nan 8.290 nan 0.000 0.530 142 N N 0.508 118.850 118.700 -0.597 0.000 2.441 142 N HA 0.053 4.793 4.740 -0.000 0.000 0.251 142 N C 1.017 176.519 175.510 -0.013 0.000 1.242 142 N CA -0.028 52.823 53.050 -0.330 0.000 0.898 142 N CB 0.051 38.377 38.487 -0.268 0.000 1.100 142 N HN 0.240 nan 8.380 nan 0.000 0.443 143 R N -0.222 120.365 120.500 0.144 0.000 3.758 143 R HA -0.255 4.085 4.340 -0.000 0.000 0.299 143 R C 0.992 177.392 176.300 0.167 0.000 1.182 143 R CA 0.914 57.146 56.100 0.220 0.000 0.809 143 R CB -1.363 29.101 30.300 0.274 0.000 1.249 143 R HN 0.668 nan 8.270 nan 0.000 0.497 144 R N 1.578 122.172 120.500 0.155 0.000 2.119 144 R HA -0.065 4.275 4.340 -0.000 0.000 0.222 144 R C 1.975 178.331 176.300 0.094 0.000 1.088 144 R CA 1.564 57.720 56.100 0.093 0.000 0.984 144 R CB 0.020 30.394 30.300 0.123 0.000 0.884 144 R HN 0.266 nan 8.270 nan 0.000 0.447 145 K N 0.877 121.362 120.400 0.141 0.000 2.097 145 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 145 K C 1.577 178.224 176.600 0.077 0.000 1.049 145 K CA 1.776 58.125 56.287 0.104 0.000 0.933 145 K CB 0.056 32.620 32.500 0.107 0.000 0.717 145 K HN 0.275 nan 8.250 nan 0.000 0.442 146 E N 0.370 120.628 120.200 0.096 0.000 2.097 146 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 146 E C 2.233 178.862 176.600 0.049 0.000 1.000 146 E CA 1.417 57.873 56.400 0.093 0.000 0.804 146 E CB -0.023 29.824 29.700 0.245 0.000 0.740 146 E HN 0.429 nan 8.360 nan 0.000 0.454 147 Q N 0.329 120.142 119.800 0.022 0.000 2.050 147 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 147 Q C 2.030 178.148 176.000 0.197 0.000 0.980 147 Q CA 0.879 56.703 55.803 0.035 0.000 0.840 147 Q CB -0.180 28.452 28.738 -0.176 0.000 0.898 147 Q HN 0.255 nan 8.270 nan 0.000 0.424 148 N N 0.407 119.185 118.700 0.130 0.000 2.149 148 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 148 N C 1.650 177.230 175.510 0.117 0.000 1.019 148 N CA 1.102 54.245 53.050 0.154 0.000 0.857 148 N CB -0.156 38.392 38.487 0.103 0.000 0.997 148 N HN 0.224 nan 8.380 nan 0.000 0.426 149 M N 0.094 119.737 119.600 0.070 0.000 2.279 149 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 149 M C 1.962 178.279 176.300 0.028 0.000 1.062 149 M CA 0.673 55.992 55.300 0.032 0.000 1.099 149 M CB -0.839 31.755 32.600 -0.010 0.000 1.394 149 M HN -0.065 nan 8.290 nan 0.000 0.426 150 V N -0.544 119.395 119.914 0.042 0.000 2.346 150 V HA -0.064 4.056 4.120 -0.000 0.000 0.244 150 V C 0.981 177.018 176.094 -0.095 0.000 1.037 150 V CA 1.043 63.330 62.300 -0.022 0.000 1.029 150 V CB -0.139 31.665 31.823 -0.031 0.000 0.663 150 V HN 0.403 nan 8.190 nan 0.000 0.454 151 K N 0.258 120.638 120.400 -0.033 0.000 2.575 151 K HA 0.285 4.605 4.320 -0.000 0.000 0.255 151 K C -0.900 175.830 176.600 0.217 0.000 0.953 151 K CA -0.582 55.622 56.287 -0.139 0.000 0.840 151 K CB 1.505 33.540 32.500 -0.775 0.000 1.303 151 K HN 0.058 nan 8.250 nan 0.000 0.438 152 K N 2.366 122.854 120.400 0.146 0.000 2.339 152 K HA 0.326 4.646 4.320 -0.000 0.000 0.286 152 K C 0.001 176.785 176.600 0.306 0.000 1.050 152 K CA -0.030 56.377 56.287 0.200 0.000 0.956 152 K CB 0.888 33.454 32.500 0.110 0.000 0.990 152 K HN 0.723 nan 8.250 nan 0.000 0.475 153 G N 1.616 110.603 108.800 0.311 0.000 2.857 153 G HA2 0.436 4.396 3.960 -0.000 0.000 0.217 153 G HA3 0.436 4.396 3.960 -0.000 0.000 0.217 153 G C 0.082 175.075 174.900 0.154 0.000 1.357 153 G CA -0.089 45.175 45.100 0.274 0.000 1.033 153 G HN 0.655 nan 8.290 nan 0.000 0.571 154 A N -1.242 121.647 122.820 0.114 0.000 2.275 154 A HA 0.549 4.869 4.320 -0.000 0.000 0.212 154 A C 1.148 178.791 177.584 0.100 0.000 1.201 154 A CA 0.874 52.985 52.037 0.124 0.000 0.843 154 A CB -0.330 18.766 19.000 0.160 0.000 0.873 154 A HN 1.046 nan 8.150 nan 0.000 0.492 155 G N -0.279 108.543 108.800 0.037 0.000 2.420 155 G HA2 0.518 4.478 3.960 -0.000 0.000 0.331 155 G HA3 0.518 4.478 3.960 -0.000 0.000 0.331 155 G C -0.188 174.690 174.900 -0.037 0.000 1.168 155 G CA -0.842 44.225 45.100 -0.055 0.000 0.936 155 G HN 0.381 nan 8.290 nan 0.000 0.479 156 F N 0.407 120.387 119.950 0.049 0.000 2.450 156 F HA 0.367 4.894 4.527 -0.000 0.000 0.339 156 F C 0.344 176.119 175.800 -0.041 0.000 1.146 156 F CA -1.765 56.219 58.000 -0.026 0.000 1.267 156 F CB 0.212 39.145 39.000 -0.111 0.000 1.178 156 F HN 0.177 nan 8.300 nan 0.000 0.585 157 N N 2.080 120.866 118.700 0.144 0.000 2.454 157 N HA 0.017 4.757 4.740 -0.000 0.000 0.260 157 N C -1.307 174.227 175.510 0.040 0.000 1.218 157 N CA 0.051 53.158 53.050 0.095 0.000 0.904 157 N CB 0.144 38.681 38.487 0.084 0.000 1.065 157 N HN 0.667 nan 8.380 nan 0.000 0.462 158 W N 0.257 121.597 121.300 0.068 0.000 2.689 158 W HA 0.545 5.205 4.660 -0.000 0.000 0.340 158 W C 1.040 177.609 176.519 0.083 0.000 1.060 158 W CA -0.728 56.663 57.345 0.077 0.000 1.218 158 W CB 1.113 30.580 29.460 0.011 0.000 1.410 158 W HN 0.486 nan 8.180 nan 0.000 0.528 159 G N 0.536 109.555 108.800 0.365 0.000 2.580 159 G HA2 0.390 4.350 3.960 -0.000 0.000 0.225 159 G HA3 0.390 4.350 3.960 -0.000 0.000 0.225 159 G C 0.470 175.565 174.900 0.325 0.000 1.521 159 G CA 0.144 45.423 45.100 0.298 0.000 1.068 159 G HN 0.651 nan 8.290 nan 0.000 0.564 160 A N -1.335 121.680 122.820 0.325 0.000 2.308 160 A HA 0.605 4.925 4.320 -0.000 0.000 0.217 160 A C 1.586 179.367 177.584 0.329 0.000 1.216 160 A CA 1.132 53.359 52.037 0.318 0.000 0.864 160 A CB 0.081 19.268 19.000 0.311 0.000 0.902 160 A HN 1.168 nan 8.150 nan 0.000 0.499 161 A N -0.109 122.886 122.820 0.293 0.000 2.610 161 A HA 0.500 4.820 4.320 -0.000 0.000 0.286 161 A C 1.210 178.847 177.584 0.089 0.000 1.306 161 A CA 0.386 52.577 52.037 0.257 0.000 0.942 161 A CB -0.733 18.428 19.000 0.269 0.000 1.112 161 A HN 0.582 nan 8.150 nan 0.000 0.527 162 G N 0.051 108.808 108.800 -0.073 0.000 3.455 162 G HA2 0.392 4.352 3.960 -0.000 0.000 0.250 162 G HA3 0.392 4.352 3.960 -0.000 0.000 0.250 162 G C 0.138 174.418 174.900 -1.033 0.000 1.071 162 G CA 0.702 45.394 45.100 -0.681 0.000 1.812 162 G HN 0.414 nan 8.290 nan 0.000 0.643 163 T N -0.999 113.184 114.554 -0.618 0.000 2.932 163 T HA 0.653 5.003 4.350 -0.000 0.000 0.318 163 T C -1.091 173.383 174.700 -0.376 0.000 1.265 163 T CA -0.364 61.410 62.100 -0.542 0.000 1.036 163 T CB 1.786 70.311 68.868 -0.571 0.000 1.209 163 T HN 0.069 nan 8.240 nan 0.000 0.484 164 S N 1.592 116.996 115.700 -0.493 0.000 2.537 164 S HA 0.670 5.140 4.470 -0.000 0.000 0.271 164 S C -1.129 173.045 174.600 -0.711 0.000 1.148 164 S CA -0.720 57.046 58.200 -0.723 0.000 0.868 164 S CB 2.195 64.829 63.200 -0.942 0.000 1.115 164 S HN 0.830 nan 8.310 nan 0.000 0.461 165 T N 2.438 116.562 114.554 -0.716 0.000 2.855 165 T HA 0.814 5.164 4.350 -0.000 0.000 0.281 165 T C -0.624 173.885 174.700 -0.317 0.000 1.007 165 T CA -0.501 61.241 62.100 -0.596 0.000 1.009 165 T CB 1.452 69.722 68.868 -0.997 0.000 0.983 165 T HN 0.520 nan 8.240 nan 0.000 0.455 166 S N 1.429 116.976 115.700 -0.254 0.000 2.638 166 S HA 0.618 5.088 4.470 -0.000 0.000 0.274 166 S C -1.176 173.202 174.600 -0.371 0.000 1.157 166 S CA -0.887 57.067 58.200 -0.410 0.000 0.826 166 S CB 1.084 63.736 63.200 -0.914 0.000 1.139 166 S HN 0.502 nan 8.310 nan 0.000 0.474 167 L N 1.320 122.334 121.223 -0.348 0.000 2.275 167 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 167 L C -1.326 175.329 176.870 -0.357 0.000 1.046 167 L CA -0.186 54.539 54.840 -0.190 0.000 0.805 167 L CB 0.629 42.719 42.059 0.052 0.000 1.193 167 L HN 0.618 nan 8.230 nan 0.000 0.426 168 W N 1.914 123.179 121.300 -0.058 0.000 2.632 168 W HA 0.592 5.252 4.660 -0.000 0.000 0.328 168 W C -0.284 176.177 176.519 -0.096 0.000 1.044 168 W CA -0.435 56.848 57.345 -0.102 0.000 1.225 168 W CB 2.208 31.593 29.460 -0.125 0.000 1.396 168 W HN 0.242 nan 8.180 nan 0.000 0.499 169 T N 1.932 116.522 114.554 0.061 0.000 2.848 169 T HA 0.819 5.169 4.350 -0.000 0.000 0.285 169 T C -0.065 174.386 174.700 -0.416 0.000 0.995 169 T CA -0.488 61.544 62.100 -0.114 0.000 0.970 169 T CB 1.565 70.351 68.868 -0.137 0.000 0.976 169 T HN 0.801 nan 8.240 nan 0.000 0.441 170 G N 0.491 109.093 108.800 -0.329 0.000 2.333 170 G HA2 0.434 4.394 3.960 -0.000 0.000 0.288 170 G HA3 0.434 4.394 3.960 -0.000 0.000 0.288 170 G C -0.489 174.445 174.900 0.058 0.000 1.286 170 G CA -0.155 44.736 45.100 -0.348 0.000 0.865 170 G HN 1.127 nan 8.290 nan 0.000 0.506 171 C N -0.902 118.492 119.300 0.157 0.000 2.464 171 C HA 0.905 5.365 4.460 -0.000 0.000 0.398 171 C C 0.649 175.724 174.990 0.141 0.000 1.451 171 C CA -1.086 58.066 59.018 0.223 0.000 1.986 171 C CB 0.544 28.391 27.740 0.179 0.000 2.004 171 C HN 0.723 nan 8.230 nan 0.000 0.530 172 M N 2.091 121.771 119.600 0.133 0.000 2.144 172 M HA 0.225 4.705 4.480 -0.000 0.000 0.356 172 M C 0.760 177.036 176.300 -0.039 0.000 1.217 172 M CA -0.685 54.627 55.300 0.020 0.000 1.087 172 M CB 0.769 33.376 32.600 0.012 0.000 1.609 172 M HN 0.915 nan 8.290 nan 0.000 0.467 173 L N 4.807 126.002 121.223 -0.046 0.000 2.089 173 L HA -0.136 4.203 4.340 -0.000 0.000 0.213 173 L C 1.974 178.818 176.870 -0.043 0.000 1.079 173 L CA 2.539 57.347 54.840 -0.052 0.000 0.758 173 L CB -0.949 41.093 42.059 -0.029 0.000 0.891 173 L HN 0.914 nan 8.230 nan 0.000 0.433 174 G N -1.333 107.455 108.800 -0.019 0.000 2.440 174 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 174 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 174 G C 1.298 176.215 174.900 0.029 0.000 1.154 174 G CA 0.905 46.008 45.100 0.005 0.000 0.767 174 G HN 0.439 nan 8.290 nan 0.000 0.552 175 D N 0.103 120.525 120.400 0.036 0.000 2.097 175 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 175 D C 2.812 179.158 176.300 0.078 0.000 0.984 175 D CA 0.684 54.755 54.000 0.117 0.000 0.826 175 D CB -0.566 40.367 40.800 0.221 0.000 0.973 175 D HN 0.174 nan 8.370 nan 0.000 0.460 176 V N 1.643 121.416 119.914 -0.236 0.000 2.233 176 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 176 V C 2.479 178.648 176.094 0.125 0.000 1.050 176 V CA 1.152 63.327 62.300 -0.209 0.000 1.010 176 V CB -0.283 31.369 31.823 -0.286 0.000 0.637 176 V HN 0.194 nan 8.190 nan 0.000 0.444 177 I N 0.822 121.420 120.570 0.046 0.000 2.286 177 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 177 I C 2.644 178.825 176.117 0.106 0.000 1.115 177 I CA 1.876 63.216 61.300 0.066 0.000 1.392 177 I CB -1.932 36.076 38.000 0.012 0.000 1.065 177 I HN 0.413 nan 8.210 nan 0.000 0.418 178 G N 0.655 109.517 108.800 0.103 0.000 2.469 178 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 178 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 178 G C 1.806 176.782 174.900 0.128 0.000 1.150 178 G CA 0.710 45.871 45.100 0.103 0.000 0.763 178 G HN 0.341 nan 8.290 nan 0.000 0.561 179 K N 0.612 121.129 120.400 0.196 0.000 2.211 179 K HA 0.116 4.436 4.320 -0.000 0.000 0.203 179 K C 2.497 179.151 176.600 0.091 0.000 1.050 179 K CA 0.923 57.292 56.287 0.137 0.000 0.945 179 K CB -0.163 32.431 32.500 0.157 0.000 0.732 179 K HN 0.264 nan 8.250 nan 0.000 0.451 180 A N 0.847 123.803 122.820 0.227 0.000 2.208 180 A HA 0.062 4.381 4.320 -0.000 0.000 0.209 180 A C -0.078 177.566 177.584 0.100 0.000 1.161 180 A CA 0.012 52.177 52.037 0.214 0.000 0.782 180 A CB 0.072 19.250 19.000 0.296 0.000 0.816 180 A HN 0.315 nan 8.150 nan 0.000 0.477 181 R N -1.918 118.626 120.500 0.074 0.000 3.055 181 R HA -0.097 4.242 4.340 -0.000 0.000 0.265 181 R C -2.865 173.450 176.300 0.025 0.000 0.947 181 R CA 0.482 56.606 56.100 0.040 0.000 0.652 181 R CB -2.590 27.726 30.300 0.027 0.000 1.367 181 R HN 0.310 nan 8.270 nan 0.000 0.441 182 P HA -0.044 nan 4.420 nan 0.000 0.266 182 P C 0.500 177.793 177.300 -0.011 0.000 1.193 182 P CA 0.238 63.334 63.100 -0.006 0.000 0.770 182 P CB 0.599 32.290 31.700 -0.015 0.000 0.836 183 S N 2.037 117.724 115.700 -0.022 0.000 2.614 183 S HA 0.148 4.618 4.470 -0.000 0.000 0.265 183 S C 1.322 175.910 174.600 -0.020 0.000 1.303 183 S CA -0.246 57.943 58.200 -0.019 0.000 1.000 183 S CB 0.702 63.889 63.200 -0.022 0.000 0.935 183 S HN 0.305 nan 8.310 nan 0.000 0.551 184 K N 1.074 121.465 120.400 -0.015 0.000 2.211 184 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 184 K C 1.895 178.485 176.600 -0.017 0.000 1.047 184 K CA 1.455 57.734 56.287 -0.014 0.000 0.935 184 K CB -0.134 32.360 32.500 -0.009 0.000 0.728 184 K HN 0.718 nan 8.250 nan 0.000 0.452 185 R N -0.178 120.312 120.500 -0.017 0.000 2.317 185 R HA 0.248 4.588 4.340 -0.000 0.000 0.208 185 R C 0.079 176.369 176.300 -0.016 0.000 0.914 185 R CA 0.250 56.343 56.100 -0.013 0.000 1.060 185 R CB 0.349 30.644 30.300 -0.009 0.000 1.015 185 R HN 0.077 nan 8.270 nan 0.000 0.498 186 A N 1.330 124.131 122.820 -0.030 0.000 2.401 186 A HA 0.248 4.568 4.320 -0.000 0.000 0.259 186 A C 0.657 178.208 177.584 -0.055 0.000 1.103 186 A CA -0.225 51.788 52.037 -0.041 0.000 0.789 186 A CB 0.481 19.444 19.000 -0.061 0.000 1.035 186 A HN 0.134 nan 8.150 nan 0.000 0.491 187 R N 0.431 120.905 120.500 -0.043 0.000 2.556 187 R HA 0.271 4.611 4.340 -0.000 0.000 0.276 187 R C -1.254 174.778 176.300 -0.446 0.000 0.931 187 R CA 0.428 56.418 56.100 -0.184 0.000 1.061 187 R CB 0.302 30.561 30.300 -0.069 0.000 1.432 187 R HN 0.662 nan 8.270 nan 0.000 0.547 188 F N -0.477 119.396 119.950 -0.128 0.000 2.619 188 F HA 0.414 4.941 4.527 -0.000 0.000 0.308 188 F C -0.413 175.315 175.800 -0.119 0.000 1.097 188 F CA -1.023 56.910 58.000 -0.112 0.000 0.953 188 F CB 2.362 41.364 39.000 0.004 0.000 1.287 188 F HN -0.461 nan 8.300 nan 0.000 0.446 189 V N 2.592 122.583 119.914 0.128 0.000 2.350 189 V HA 0.274 4.394 4.120 -0.000 0.000 0.285 189 V C -0.979 175.253 176.094 0.230 0.000 1.014 189 V CA -0.840 61.498 62.300 0.064 0.000 0.831 189 V CB 0.742 32.574 31.823 0.014 0.000 1.000 189 V HN 0.534 nan 8.190 nan 0.000 0.433 190 W N 5.212 126.497 121.300 -0.026 0.000 2.202 190 W HA 0.637 5.297 4.660 -0.000 0.000 0.332 190 W C 0.037 176.535 176.519 -0.035 0.000 1.263 190 W CA -1.339 55.969 57.345 -0.062 0.000 1.223 190 W CB 0.213 29.619 29.460 -0.091 0.000 1.128 190 W HN 0.353 nan 8.180 nan 0.000 0.573 191 M N 1.541 121.262 119.600 0.201 0.000 2.464 191 M HA 0.348 4.828 4.480 -0.000 0.000 0.308 191 M C -0.601 175.770 176.300 0.118 0.000 1.127 191 M CA -0.541 54.841 55.300 0.138 0.000 0.913 191 M CB 2.960 35.627 32.600 0.112 0.000 1.689 191 M HN 0.427 nan 8.290 nan 0.000 0.445 192 E N 0.543 120.823 120.200 0.134 0.000 2.308 192 E HA 0.658 5.008 4.350 -0.000 0.000 0.275 192 E C -0.974 175.744 176.600 0.196 0.000 0.890 192 E CA -0.555 55.929 56.400 0.140 0.000 0.754 192 E CB 2.135 31.910 29.700 0.124 0.000 1.207 192 E HN 0.837 nan 8.360 nan 0.000 0.426 193 G N 1.093 110.049 108.800 0.259 0.000 2.511 193 G HA2 0.495 4.455 3.960 -0.000 0.000 0.316 193 G HA3 0.495 4.455 3.960 -0.000 0.000 0.316 193 G C 0.342 175.436 174.900 0.325 0.000 1.210 193 G CA 0.038 45.354 45.100 0.360 0.000 0.969 193 G HN 0.561 nan 8.290 nan 0.000 0.492 194 A N -0.582 122.488 122.820 0.417 0.000 2.178 194 A HA 0.199 4.519 4.320 -0.000 0.000 0.211 194 A C 1.118 178.810 177.584 0.182 0.000 1.157 194 A CA 0.800 53.013 52.037 0.293 0.000 0.780 194 A CB -0.436 18.825 19.000 0.435 0.000 0.828 194 A HN 0.722 nan 8.150 nan 0.000 0.476 195 D N -0.512 120.001 120.400 0.188 0.000 2.371 195 D HA 0.109 4.749 4.640 -0.000 0.000 0.242 195 D C -0.441 175.905 176.300 0.077 0.000 1.218 195 D CA -0.378 53.633 54.000 0.017 0.000 0.945 195 D CB 0.398 41.151 40.800 -0.078 0.000 1.137 195 D HN 0.014 nan 8.370 nan 0.000 0.464 196 N N 0.104 118.827 118.700 0.040 0.000 2.791 196 N HA 0.312 5.052 4.740 -0.000 0.000 0.265 196 N C -2.823 172.735 175.510 0.079 0.000 1.580 196 N CA -1.546 51.545 53.050 0.069 0.000 0.809 196 N CB 0.523 39.039 38.487 0.048 0.000 1.178 196 N HN 0.084 nan 8.380 nan 0.000 0.499 197 P HA 0.116 nan 4.420 nan 0.000 0.273 197 P C 0.622 178.015 177.300 0.156 0.000 1.258 197 P CA -0.150 63.041 63.100 0.151 0.000 0.802 197 P CB 0.603 32.398 31.700 0.158 0.000 1.040 198 A N 0.794 123.698 122.820 0.139 0.000 1.940 198 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 198 A C 1.391 178.915 177.584 -0.100 0.000 1.176 198 A CA 1.701 53.743 52.037 0.008 0.000 0.631 198 A CB -0.973 18.006 19.000 -0.034 0.000 0.814 198 A HN 0.566 nan 8.150 nan 0.000 0.446 199 N N -0.303 118.313 118.700 -0.139 0.000 2.273 199 N HA 0.339 5.078 4.740 -0.000 0.000 0.231 199 N C 0.683 176.156 175.510 -0.061 0.000 1.134 199 N CA 0.883 53.680 53.050 -0.422 0.000 0.856 199 N CB 0.556 38.198 38.487 -1.408 0.000 1.068 199 N HN 0.653 nan 8.380 nan 0.000 0.510 200 G N 0.889 109.759 108.800 0.118 0.000 2.660 200 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.247 200 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.247 200 G C -0.388 174.664 174.900 0.253 0.000 1.328 200 G CA -0.551 44.635 45.100 0.144 0.000 0.884 200 G HN 0.383 nan 8.290 nan 0.000 0.531 201 A N -0.449 122.482 122.820 0.186 0.000 2.573 201 A HA 0.395 4.715 4.320 -0.000 0.000 0.250 201 A C 0.262 177.991 177.584 0.241 0.000 1.049 201 A CA 1.013 53.166 52.037 0.193 0.000 0.767 201 A CB -0.266 18.822 19.000 0.148 0.000 0.965 201 A HN 1.973 nan 8.150 nan 0.000 0.514 202 Y N 2.587 122.929 120.300 0.070 0.000 2.544 202 Y HA 0.407 4.956 4.550 -0.000 0.000 0.330 202 Y C 0.805 176.744 175.900 0.065 0.000 1.136 202 Y CA 1.193 59.258 58.100 -0.057 0.000 1.417 202 Y CB 0.331 38.637 38.460 -0.256 0.000 1.229 202 Y HN 0.818 nan 8.280 nan 0.000 0.532 203 G N 3.615 112.126 108.800 -0.483 0.000 2.718 203 G HA2 0.518 4.478 3.960 -0.000 0.000 0.295 203 G HA3 0.518 4.478 3.960 -0.000 0.000 0.295 203 G C -1.282 173.364 174.900 -0.424 0.000 1.421 203 G CA -0.141 44.782 45.100 -0.295 0.000 0.902 203 G HN 0.771 nan 8.290 nan 0.000 0.501 204 T N -1.796 112.608 114.554 -0.250 0.000 2.626 204 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 204 T C -0.912 173.698 174.700 -0.151 0.000 1.194 204 T CA 0.439 62.418 62.100 -0.201 0.000 1.112 204 T CB 0.772 69.633 68.868 -0.011 0.000 1.714 204 T HN 1.894 nan 8.240 nan 0.000 0.457 205 C N 0.459 119.740 119.300 -0.031 0.000 3.320 205 C HA 0.970 5.429 4.460 -0.000 0.000 0.335 205 C C -1.462 173.660 174.990 0.221 0.000 1.430 205 C CA -0.895 58.184 59.018 0.100 0.000 1.271 205 C CB 0.334 28.116 27.740 0.069 0.000 1.609 205 C HN 1.024 nan 8.230 nan 0.000 0.457 206 I N -0.031 120.634 120.570 0.158 0.000 3.102 206 I HA 0.623 4.793 4.170 -0.000 0.000 0.310 206 I C -0.413 175.541 176.117 -0.270 0.000 1.246 206 I CA -0.736 60.535 61.300 -0.050 0.000 0.979 206 I CB 2.101 40.112 38.000 0.017 0.000 1.267 206 I HN 0.857 nan 8.210 nan 0.000 0.451 207 R N 2.724 122.736 120.500 -0.813 0.000 2.490 207 R HA 0.236 4.576 4.340 -0.000 0.000 0.280 207 R C 0.764 176.738 176.300 -0.543 0.000 1.077 207 R CA -0.399 55.078 56.100 -1.037 0.000 1.065 207 R CB 0.672 30.011 30.300 -1.602 0.000 1.003 207 R HN 0.601 nan 8.270 nan 0.000 0.470 208 L N 2.996 123.963 121.223 -0.427 0.000 1.989 208 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 208 L C 2.038 178.849 176.870 -0.098 0.000 1.071 208 L CA 2.386 57.107 54.840 -0.198 0.000 0.749 208 L CB -0.582 41.375 42.059 -0.170 0.000 0.890 208 L HN 0.810 nan 8.230 nan 0.000 0.431 209 S N -2.002 113.644 115.700 -0.090 0.000 2.469 209 S HA -0.190 4.280 4.470 -0.000 0.000 0.238 209 S C 1.657 176.391 174.600 0.223 0.000 0.998 209 S CA 0.832 59.067 58.200 0.058 0.000 0.957 209 S CB -1.035 62.204 63.200 0.065 0.000 0.764 209 S HN 0.601 nan 8.310 nan 0.000 0.514 210 W N 1.346 122.569 121.300 -0.128 0.000 2.436 210 W HA 0.195 4.855 4.660 -0.000 0.000 0.284 210 W C 2.648 179.118 176.519 -0.083 0.000 1.225 210 W CA -1.148 56.136 57.345 -0.102 0.000 1.271 210 W CB -1.649 27.744 29.460 -0.111 0.000 1.114 210 W HN 0.347 nan 8.180 nan 0.000 0.559 211 C N -0.046 119.342 119.300 0.146 0.000 2.422 211 C HA -0.165 4.295 4.460 -0.000 0.000 0.279 211 C C 2.410 177.421 174.990 0.034 0.000 1.305 211 C CA 0.698 59.751 59.018 0.059 0.000 1.757 211 C CB -1.152 26.598 27.740 0.018 0.000 1.962 211 C HN 0.180 nan 8.230 nan 0.000 0.499 212 M N 0.357 119.980 119.600 0.038 0.000 2.561 212 M HA 0.152 4.632 4.480 -0.000 0.000 0.238 212 M C 0.098 176.405 176.300 0.011 0.000 1.131 212 M CA 0.667 55.980 55.300 0.022 0.000 1.046 212 M CB -1.093 31.520 32.600 0.020 0.000 1.532 212 M HN 0.282 nan 8.290 nan 0.000 0.497 213 D N 1.399 121.804 120.400 0.008 0.000 2.412 213 D HA 0.246 4.886 4.640 -0.000 0.000 0.224 213 D C -1.935 174.337 176.300 -0.048 0.000 1.093 213 D CA -2.078 51.908 54.000 -0.022 0.000 0.850 213 D CB 1.924 42.699 40.800 -0.042 0.000 1.046 213 D HN -0.091 nan 8.370 nan 0.000 0.507 214 P HA -0.144 nan 4.420 nan 0.000 0.217 214 P C 1.013 178.263 177.300 -0.085 0.000 1.148 214 P CA 0.892 63.948 63.100 -0.073 0.000 0.828 214 P CB 0.419 32.090 31.700 -0.048 0.000 0.783 215 E N -0.687 119.466 120.200 -0.078 0.000 2.110 215 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 215 E C 2.115 178.652 176.600 -0.104 0.000 0.988 215 E CA 1.053 57.402 56.400 -0.086 0.000 0.804 215 E CB -0.322 29.323 29.700 -0.092 0.000 0.745 215 E HN 0.178 nan 8.360 nan 0.000 0.458 216 R N -0.012 120.418 120.500 -0.117 0.000 2.073 216 R HA -0.003 4.337 4.340 -0.000 0.000 0.229 216 R C 1.133 177.380 176.300 -0.089 0.000 1.120 216 R CA 0.918 56.947 56.100 -0.118 0.000 0.967 216 R CB -0.363 29.869 30.300 -0.114 0.000 0.862 216 R HN 0.234 nan 8.270 nan 0.000 0.436 217 C N 0.786 120.030 119.300 -0.093 0.000 4.533 217 C HA -0.139 4.321 4.460 -0.000 0.000 0.304 217 C C -0.133 174.795 174.990 -0.103 0.000 1.316 217 C CA -0.862 58.083 59.018 -0.122 0.000 2.053 217 C CB -2.368 25.295 27.740 -0.129 0.000 1.242 217 C HN 0.355 nan 8.230 nan 0.000 0.758 218 I N 2.764 123.292 120.570 -0.070 0.000 2.471 218 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 218 I C 0.856 176.930 176.117 -0.072 0.000 1.079 218 I CA 0.767 62.032 61.300 -0.057 0.000 1.398 218 I CB 0.712 38.710 38.000 -0.004 0.000 1.403 218 I HN 0.413 nan 8.210 nan 0.000 0.530 219 M N 6.672 126.215 119.600 -0.096 0.000 2.644 219 M HA 0.529 5.009 4.480 -0.000 0.000 0.316 219 M C -0.627 175.627 176.300 -0.076 0.000 1.200 219 M CA -0.693 54.561 55.300 -0.077 0.000 0.944 219 M CB 2.266 34.816 32.600 -0.083 0.000 1.691 219 M HN 0.353 nan 8.290 nan 0.000 0.471 220 I N 1.846 122.398 120.570 -0.030 0.000 2.306 220 I HA 0.449 4.619 4.170 -0.000 0.000 0.288 220 I C -0.151 175.984 176.117 0.029 0.000 1.036 220 I CA -0.477 60.825 61.300 0.004 0.000 1.221 220 I CB 1.019 39.044 38.000 0.042 0.000 1.385 220 I HN 0.683 nan 8.210 nan 0.000 0.472 221 A N 5.720 128.534 122.820 -0.010 0.000 2.324 221 A HA 0.632 4.952 4.320 -0.000 0.000 0.330 221 A C -0.361 177.278 177.584 0.092 0.000 1.165 221 A CA -0.388 51.633 52.037 -0.026 0.000 0.813 221 A CB 0.508 19.538 19.000 0.049 0.000 1.197 221 A HN 0.775 nan 8.150 nan 0.000 0.484 222 Y N -0.876 119.514 120.300 0.150 0.000 2.563 222 Y HA 0.416 4.966 4.550 -0.000 0.000 0.250 222 Y C 0.151 176.125 175.900 0.123 0.000 1.126 222 Y CA -0.497 57.704 58.100 0.169 0.000 1.231 222 Y CB -0.052 38.551 38.460 0.238 0.000 1.288 222 Y HN 0.560 nan 8.280 nan 0.000 0.537 223 Q N 1.308 121.073 119.800 -0.059 0.000 2.456 223 Q HA 0.455 4.795 4.340 -0.000 0.000 0.283 223 Q C -1.656 174.251 176.000 -0.157 0.000 1.084 223 Q CA -0.923 54.801 55.803 -0.132 0.000 0.801 223 Q CB 3.410 31.955 28.738 -0.321 0.000 1.434 223 Q HN 0.371 nan 8.270 nan 0.000 0.419 224 Q N 1.213 120.816 119.800 -0.328 0.000 2.263 224 Q HA 0.229 4.569 4.340 -0.000 0.000 0.266 224 Q C -1.166 174.515 176.000 -0.531 0.000 1.002 224 Q CA -0.137 55.276 55.803 -0.651 0.000 0.790 224 Q CB 1.069 29.308 28.738 -0.831 0.000 1.272 224 Q HN 0.811 nan 8.270 nan 0.000 0.435 225 N N 3.056 121.464 118.700 -0.488 0.000 2.699 225 N HA -0.308 4.432 4.740 -0.000 0.000 0.256 225 N C 0.510 175.659 175.510 -0.603 0.000 0.993 225 N CA 0.543 53.397 53.050 -0.327 0.000 0.759 225 N CB -0.821 37.513 38.487 -0.256 0.000 0.906 225 N HN 1.086 nan 8.380 nan 0.000 0.541 226 G N -1.061 107.085 108.800 -1.089 0.000 2.212 226 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.266 226 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.266 226 G C -0.110 174.270 174.900 -0.867 0.000 0.978 226 G CA 0.818 44.810 45.100 -1.846 0.000 0.632 226 G HN 0.498 nan 8.290 nan 0.000 0.537 227 E N -0.558 119.318 120.200 -0.539 0.000 2.207 227 E HA 0.461 4.811 4.350 -0.000 0.000 0.270 227 E C 0.168 176.633 176.600 -0.225 0.000 0.927 227 E CA -1.049 55.160 56.400 -0.319 0.000 0.799 227 E CB 0.736 30.349 29.700 -0.147 0.000 1.172 227 E HN 0.338 nan 8.360 nan 0.000 0.404 228 W N 1.528 122.808 121.300 -0.034 0.000 2.226 228 W HA -0.008 4.652 4.660 -0.000 0.000 0.352 228 W C 0.752 177.281 176.519 0.017 0.000 1.277 228 W CA -0.226 57.133 57.345 0.024 0.000 1.305 228 W CB 0.135 29.606 29.460 0.017 0.000 1.193 228 W HN 0.251 nan 8.180 nan 0.000 0.596 229 L N 3.504 124.910 121.223 0.305 0.000 2.455 229 L HA -0.003 4.336 4.340 -0.000 0.000 0.272 229 L C 1.152 178.142 176.870 0.201 0.000 1.174 229 L CA -0.334 54.630 54.840 0.208 0.000 0.869 229 L CB -0.162 42.004 42.059 0.178 0.000 1.130 229 L HN 0.412 nan 8.230 nan 0.000 0.474 230 H N 5.807 124.950 119.070 0.120 0.000 2.852 230 H HA 0.021 4.577 4.556 -0.000 0.000 0.362 230 H C -1.832 173.550 175.328 0.091 0.000 1.122 230 H CA -1.102 55.002 56.048 0.093 0.000 1.419 230 H CB 1.586 31.404 29.762 0.094 0.000 1.401 230 H HN 0.368 nan 8.280 nan 0.000 0.609 231 P HA -0.126 nan 4.420 nan 0.000 0.216 231 P C 0.937 178.432 177.300 0.326 0.000 1.150 231 P CA 1.220 64.365 63.100 0.074 0.000 0.837 231 P CB 0.281 31.959 31.700 -0.037 0.000 0.786 232 D N -1.925 118.630 120.400 0.258 0.000 2.263 232 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 232 D C 0.965 177.157 176.300 -0.181 0.000 0.971 232 D CA 1.158 55.232 54.000 0.123 0.000 0.867 232 D CB -0.326 40.458 40.800 -0.027 0.000 0.929 232 D HN 0.363 nan 8.370 nan 0.000 0.492 233 H N -1.458 117.677 119.070 0.109 0.000 2.528 233 H HA 0.388 4.943 4.556 -0.000 0.000 0.282 233 H C 1.392 176.574 175.328 -0.242 0.000 1.097 233 H CA 0.534 56.519 56.048 -0.106 0.000 1.121 233 H CB 0.957 30.681 29.762 -0.064 0.000 1.590 233 H HN 0.146 nan 8.280 nan 0.000 0.553 234 G N 1.331 109.923 108.800 -0.347 0.000 2.154 234 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.186 234 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.186 234 G C 0.347 175.105 174.900 -0.237 0.000 1.000 234 G CA -0.129 44.487 45.100 -0.806 0.000 0.664 234 G HN 0.352 nan 8.290 nan 0.000 0.513 235 K N 1.341 121.777 120.400 0.061 0.000 2.477 235 K HA 0.113 4.433 4.320 -0.000 0.000 0.275 235 K C -0.755 175.733 176.600 -0.187 0.000 1.054 235 K CA 0.179 56.467 56.287 0.002 0.000 1.135 235 K CB 0.845 33.364 32.500 0.031 0.000 0.854 235 K HN 0.160 nan 8.250 nan 0.000 0.484 236 P HA 0.049 nan 4.420 nan 0.000 0.245 236 P C -0.564 176.626 177.300 -0.183 0.000 1.199 236 P CA 0.155 63.042 63.100 -0.356 0.000 0.807 236 P CB 0.388 31.779 31.700 -0.515 0.000 1.002 237 L N 0.454 121.512 121.223 -0.275 0.000 2.455 237 L HA 0.552 4.892 4.340 -0.000 0.000 0.264 237 L C -0.670 176.182 176.870 -0.030 0.000 0.968 237 L CA -0.943 53.870 54.840 -0.045 0.000 0.827 237 L CB 2.171 44.245 42.059 0.024 0.000 1.317 237 L HN -0.091 nan 8.230 nan 0.000 0.407 238 R N 3.062 123.552 120.500 -0.017 0.000 2.739 238 R HA 0.830 5.170 4.340 -0.000 0.000 0.271 238 R C -1.799 174.448 176.300 -0.088 0.000 1.010 238 R CA -0.919 55.129 56.100 -0.086 0.000 0.897 238 R CB 1.510 31.681 30.300 -0.215 0.000 1.236 238 R HN 0.292 nan 8.270 nan 0.000 0.466 239 V N 1.609 121.466 119.914 -0.094 0.000 2.649 239 V HA 0.339 4.459 4.120 -0.000 0.000 0.292 239 V C -0.303 175.641 176.094 -0.250 0.000 1.055 239 V CA -0.490 61.740 62.300 -0.117 0.000 1.023 239 V CB 1.503 33.299 31.823 -0.044 0.000 0.992 239 V HN 0.511 nan 8.190 nan 0.000 0.480 240 V N 5.800 125.527 119.914 -0.311 0.000 2.443 240 V HA 0.466 4.586 4.120 -0.000 0.000 0.293 240 V C -0.347 175.584 176.094 -0.272 0.000 1.021 240 V CA -0.289 61.732 62.300 -0.464 0.000 0.848 240 V CB 1.667 32.980 31.823 -0.850 0.000 0.998 240 V HN 0.666 nan 8.190 nan 0.000 0.424 241 I N 6.842 127.304 120.570 -0.180 0.000 2.371 241 I HA 0.371 4.541 4.170 -0.000 0.000 0.282 241 I C -2.483 173.597 176.117 -0.062 0.000 1.031 241 I CA -1.911 59.351 61.300 -0.063 0.000 1.180 241 I CB 1.786 39.812 38.000 0.044 0.000 1.336 241 I HN 0.372 nan 8.210 nan 0.000 0.467 242 P HA 0.125 nan 4.420 nan 0.000 0.272 242 P C 0.954 178.235 177.300 -0.032 0.000 1.223 242 P CA 0.399 63.458 63.100 -0.070 0.000 0.784 242 P CB 0.755 32.413 31.700 -0.070 0.000 0.923 243 G N -0.131 108.653 108.800 -0.028 0.000 2.166 243 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 243 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 243 G C -0.022 174.900 174.900 0.038 0.000 0.986 243 G CA 0.204 45.302 45.100 -0.003 0.000 0.683 243 G HN 0.528 nan 8.290 nan 0.000 0.527 244 V N 1.078 121.023 119.914 0.051 0.000 3.040 244 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 244 V C 0.857 176.984 176.094 0.055 0.000 1.115 244 V CA -0.772 61.602 62.300 0.123 0.000 0.998 244 V CB 2.039 33.999 31.823 0.228 0.000 1.042 244 V HN 0.623 nan 8.190 nan 0.000 0.433 245 I N 0.394 121.004 120.570 0.065 0.000 2.754 245 I HA 0.438 4.608 4.170 -0.000 0.000 0.285 245 I C 1.638 177.776 176.117 0.034 0.000 1.166 245 I CA 0.439 61.745 61.300 0.011 0.000 1.417 245 I CB 0.254 38.253 38.000 -0.002 0.000 1.382 245 I HN 0.685 nan 8.210 nan 0.000 0.588 246 G N 3.764 112.582 108.800 0.029 0.000 2.505 246 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 246 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 246 G C 1.450 176.406 174.900 0.095 0.000 1.145 246 G CA 1.009 46.155 45.100 0.077 0.000 0.761 246 G HN 1.037 nan 8.290 nan 0.000 0.571 247 G N 0.240 109.117 108.800 0.129 0.000 2.517 247 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.222 247 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.222 247 G C 1.863 176.920 174.900 0.262 0.000 1.109 247 G CA 0.857 46.095 45.100 0.231 0.000 0.746 247 G HN 0.379 nan 8.290 nan 0.000 0.576 248 R N 0.277 120.881 120.500 0.173 0.000 2.254 248 R HA 0.140 4.480 4.340 -0.000 0.000 0.195 248 R C 0.784 177.159 176.300 0.124 0.000 0.957 248 R CA 0.002 56.208 56.100 0.178 0.000 1.024 248 R CB -0.239 30.187 30.300 0.209 0.000 0.952 248 R HN 0.176 nan 8.270 nan 0.000 0.484 249 S N 1.831 117.567 115.700 0.059 0.000 3.072 249 S HA 0.161 4.631 4.470 -0.000 0.000 0.306 249 S C 0.135 174.713 174.600 -0.037 0.000 1.207 249 S CA -0.244 57.930 58.200 -0.043 0.000 1.008 249 S CB 0.429 63.537 63.200 -0.154 0.000 1.390 249 S HN -0.117 nan 8.310 nan 0.000 0.523 250 V N 4.917 124.848 119.914 0.028 0.000 2.508 250 V HA 0.131 4.251 4.120 -0.000 0.000 0.281 250 V C 0.719 176.777 176.094 -0.060 0.000 1.041 250 V CA -0.128 62.221 62.300 0.082 0.000 1.016 250 V CB 0.440 32.367 31.823 0.174 0.000 0.984 250 V HN 0.615 nan 8.190 nan 0.000 0.478 251 K N 3.993 124.262 120.400 -0.219 0.000 2.090 251 K HA 0.263 4.583 4.320 -0.000 0.000 0.250 251 K C -0.235 176.227 176.600 -0.230 0.000 1.004 251 K CA -0.522 55.428 56.287 -0.562 0.000 0.919 251 K CB 0.518 32.207 32.500 -1.351 0.000 1.045 251 K HN 0.698 nan 8.250 nan 0.000 0.471 252 W N 1.040 122.394 121.300 0.090 0.000 6.486 252 W HA -0.210 4.450 4.660 -0.000 0.000 0.411 252 W C -0.245 176.511 176.519 0.395 0.000 1.595 252 W CA -0.440 57.004 57.345 0.165 0.000 1.075 252 W CB -2.165 27.413 29.460 0.197 0.000 2.798 252 W HN 0.386 nan 8.180 nan 0.000 1.534 253 L N 1.613 123.109 121.223 0.455 0.000 2.490 253 L HA 0.071 4.411 4.340 -0.000 0.000 0.274 253 L C 1.228 178.391 176.870 0.488 0.000 1.201 253 L CA 1.097 56.175 54.840 0.397 0.000 0.869 253 L CB 0.686 42.904 42.059 0.265 0.000 1.123 253 L HN -0.026 nan 8.230 nan 0.000 0.484 254 K N 2.942 123.502 120.400 0.266 0.000 2.556 254 K HA 0.295 4.615 4.320 -0.000 0.000 0.201 254 K C -0.321 176.300 176.600 0.035 0.000 1.423 254 K CA 0.472 56.813 56.287 0.090 0.000 1.010 254 K CB 0.568 33.082 32.500 0.023 0.000 1.409 254 K HN 0.573 nan 8.250 nan 0.000 0.538 255 K N 0.815 121.257 120.400 0.070 0.000 2.426 255 K HA 0.548 4.868 4.320 -0.000 0.000 0.251 255 K C -0.846 175.787 176.600 0.054 0.000 0.941 255 K CA -0.631 55.680 56.287 0.040 0.000 0.808 255 K CB 2.491 35.026 32.500 0.058 0.000 1.265 255 K HN -0.160 nan 8.250 nan 0.000 0.432 256 L N 2.042 123.270 121.223 0.009 0.000 2.406 256 L HA 0.483 4.823 4.340 -0.000 0.000 0.272 256 L C -1.107 175.739 176.870 -0.041 0.000 0.980 256 L CA -1.090 53.753 54.840 0.005 0.000 0.831 256 L CB 2.072 44.112 42.059 -0.031 0.000 1.253 256 L HN 0.271 nan 8.230 nan 0.000 0.406 257 V N 3.962 123.846 119.914 -0.050 0.000 2.380 257 V HA 0.278 4.398 4.120 -0.000 0.000 0.286 257 V C 0.125 175.966 176.094 -0.421 0.000 1.015 257 V CA -0.700 61.464 62.300 -0.226 0.000 0.834 257 V CB 1.922 33.615 31.823 -0.217 0.000 1.009 257 V HN 0.419 nan 8.190 nan 0.000 0.428 258 V N 4.177 123.907 119.914 -0.307 0.000 2.521 258 V HA 0.504 4.624 4.120 -0.000 0.000 0.286 258 V C 0.552 176.409 176.094 -0.395 0.000 1.034 258 V CA 0.728 62.863 62.300 -0.276 0.000 1.045 258 V CB 1.247 32.979 31.823 -0.152 0.000 0.974 258 V HN 0.957 nan 8.190 nan 0.000 0.480 259 S N 1.989 117.467 115.700 -0.369 0.000 2.596 259 S HA 0.366 4.836 4.470 -0.000 0.000 0.270 259 S C 0.150 174.707 174.600 -0.071 0.000 1.155 259 S CA -0.275 57.700 58.200 -0.375 0.000 0.827 259 S CB 2.039 64.716 63.200 -0.872 0.000 1.130 259 S HN 0.866 nan 8.310 nan 0.000 0.467 260 D N 1.240 121.633 120.400 -0.011 0.000 2.340 260 D HA 0.127 4.767 4.640 -0.000 0.000 0.220 260 D C 0.561 176.982 176.300 0.200 0.000 1.039 260 D CA 0.083 54.134 54.000 0.084 0.000 0.866 260 D CB -0.138 40.684 40.800 0.037 0.000 0.913 260 D HN 0.688 nan 8.370 nan 0.000 0.523 261 R N -1.511 119.101 120.500 0.186 0.000 2.734 261 R HA 0.599 4.939 4.340 -0.000 0.000 0.271 261 R C -3.326 172.796 176.300 -0.296 0.000 1.021 261 R CA -1.743 54.352 56.100 -0.009 0.000 0.893 261 R CB 0.290 30.608 30.300 0.030 0.000 1.244 261 R HN -0.286 nan 8.270 nan 0.000 0.464 262 P HA -0.011 nan 4.420 nan 0.000 0.272 262 P C -0.247 176.609 177.300 -0.740 0.000 1.240 262 P CA -0.320 62.172 63.100 -1.013 0.000 0.791 262 P CB 0.714 31.943 31.700 -0.785 0.000 0.978 263 S N 0.213 115.145 115.700 -1.280 0.000 2.559 263 S HA -0.071 4.399 4.470 -0.000 0.000 0.282 263 S C 0.693 174.523 174.600 -1.285 0.000 1.336 263 S CA 0.319 57.410 58.200 -1.847 0.000 1.037 263 S CB -0.251 62.062 63.200 -1.478 0.000 0.853 263 S HN 0.380 nan 8.310 nan 0.000 0.523 264 E N 1.632 121.130 120.200 -1.170 0.000 2.548 264 E HA 0.182 4.532 4.350 -0.000 0.000 0.206 264 E C -0.105 176.215 176.600 -0.466 0.000 1.005 264 E CA -0.231 55.771 56.400 -0.664 0.000 0.951 264 E CB 0.242 29.768 29.700 -0.290 0.000 1.035 264 E HN 0.722 nan 8.360 nan 0.000 0.470 265 N N -0.232 118.153 118.700 -0.526 0.000 2.395 265 N HA -0.116 4.624 4.740 -0.000 0.000 0.246 265 N C 0.379 175.828 175.510 -0.101 0.000 1.246 265 N CA 0.160 53.083 53.050 -0.212 0.000 0.879 265 N CB 0.403 38.767 38.487 -0.206 0.000 1.098 265 N HN 0.191 nan 8.380 nan 0.000 0.444 266 W N 2.671 123.935 121.300 -0.061 0.000 2.342 266 W HA -0.211 4.448 4.660 -0.000 0.000 0.297 266 W C 0.863 177.332 176.519 -0.083 0.000 1.213 266 W CA 1.173 58.536 57.345 0.030 0.000 1.251 266 W CB -0.194 29.203 29.460 -0.105 0.000 1.136 266 W HN 0.711 nan 8.180 nan 0.000 0.526 267 Y N -1.829 118.623 120.300 0.253 0.000 2.516 267 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 267 Y C 2.375 178.180 175.900 -0.158 0.000 1.131 267 Y CA 1.566 59.727 58.100 0.101 0.000 1.281 267 Y CB -0.761 37.658 38.460 -0.069 0.000 1.013 267 Y HN 0.043 nan 8.280 nan 0.000 0.554 268 H N -1.194 117.716 119.070 -0.267 0.000 2.363 268 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 268 H C 1.630 176.714 175.328 -0.408 0.000 1.074 268 H CA 1.916 57.730 56.048 -0.390 0.000 1.354 268 H CB -0.366 29.037 29.762 -0.598 0.000 1.397 268 H HN 0.347 nan 8.280 nan 0.000 0.516 269 Y N -1.018 118.978 120.300 -0.508 0.000 2.092 269 Y HA -0.123 4.427 4.550 -0.000 0.000 0.282 269 Y C 1.407 176.776 175.900 -0.886 0.000 1.126 269 Y CA 0.894 58.499 58.100 -0.825 0.000 1.111 269 Y CB -0.206 37.426 38.460 -1.380 0.000 0.987 269 Y HN 0.095 nan 8.280 nan 0.000 0.489 270 F N -0.445 119.125 119.950 -0.634 0.000 2.664 270 F HA 0.184 4.711 4.527 -0.000 0.000 0.301 270 F C -0.043 175.373 175.800 -0.641 0.000 1.126 270 F CA -0.129 57.205 58.000 -1.110 0.000 1.373 270 F CB 0.157 38.007 39.000 -1.917 0.000 1.042 270 F HN -0.022 nan 8.300 nan 0.000 0.535 271 D N -1.121 119.231 120.400 -0.080 0.000 2.579 271 D HA 0.259 4.899 4.640 -0.000 0.000 0.257 271 D C -0.547 175.836 176.300 0.139 0.000 1.176 271 D CA -0.648 53.458 54.000 0.176 0.000 0.914 271 D CB 0.917 41.985 40.800 0.447 0.000 1.431 271 D HN -0.195 nan 8.370 nan 0.000 0.454 272 N N 1.131 119.924 118.700 0.156 0.000 2.714 272 N HA -0.198 4.542 4.740 -0.000 0.000 0.253 272 N C -0.961 174.536 175.510 -0.022 0.000 1.024 272 N CA 0.783 53.864 53.050 0.052 0.000 0.726 272 N CB -0.728 37.785 38.487 0.044 0.000 0.908 272 N HN 0.439 nan 8.380 nan 0.000 0.542 273 R N -0.679 119.853 120.500 0.053 0.000 2.725 273 R HA 0.559 4.899 4.340 -0.000 0.000 0.277 273 R C -0.561 175.721 176.300 -0.030 0.000 0.987 273 R CA -0.849 55.261 56.100 0.016 0.000 0.901 273 R CB 1.941 32.292 30.300 0.085 0.000 1.207 273 R HN -0.082 nan 8.270 nan 0.000 0.463 274 V N 4.677 124.561 119.914 -0.051 0.000 2.259 274 V HA 0.260 4.380 4.120 -0.000 0.000 0.267 274 V C 0.308 176.293 176.094 -0.181 0.000 1.051 274 V CA -0.538 61.701 62.300 -0.101 0.000 0.830 274 V CB 0.611 32.382 31.823 -0.087 0.000 1.080 274 V HN 0.511 nan 8.190 nan 0.000 0.467 275 L N 6.019 127.051 121.223 -0.319 0.000 2.452 275 L HA 0.334 4.674 4.340 -0.000 0.000 0.267 275 L C -2.003 174.575 176.870 -0.487 0.000 1.188 275 L CA -1.726 52.770 54.840 -0.573 0.000 0.821 275 L CB 0.388 42.026 42.059 -0.701 0.000 1.102 275 L HN 0.322 nan 8.230 nan 0.000 0.470 276 P HA -0.045 nan 4.420 nan 0.000 0.263 276 P C 0.634 177.723 177.300 -0.351 0.000 1.175 276 P CA 0.180 63.055 63.100 -0.374 0.000 0.761 276 P CB 0.369 31.783 31.700 -0.476 0.000 0.794 277 T N 0.866 115.186 114.554 -0.390 0.000 2.822 277 T HA -0.206 4.144 4.350 -0.000 0.000 0.270 277 T C 1.428 175.964 174.700 -0.274 0.000 1.064 277 T CA 1.350 63.139 62.100 -0.518 0.000 1.131 277 T CB -0.577 67.857 68.868 -0.723 0.000 0.858 277 T HN 0.449 nan 8.240 nan 0.000 0.483 278 M N 0.637 120.072 119.600 -0.274 0.000 2.541 278 M HA 0.255 4.735 4.480 -0.000 0.000 0.252 278 M C 0.297 176.447 176.300 -0.250 0.000 1.125 278 M CA 0.216 55.387 55.300 -0.215 0.000 1.091 278 M CB -1.297 31.208 32.600 -0.158 0.000 1.420 278 M HN -0.054 nan 8.290 nan 0.000 0.486 279 V N 4.077 123.751 119.914 -0.401 0.000 2.479 279 V HA 0.173 4.293 4.120 -0.000 0.000 0.281 279 V C 0.921 176.858 176.094 -0.261 0.000 1.031 279 V CA -0.097 61.880 62.300 -0.538 0.000 1.038 279 V CB 0.155 31.331 31.823 -1.078 0.000 0.981 279 V HN 0.612 nan 8.190 nan 0.000 0.478 280 T N 3.619 118.077 114.554 -0.161 0.000 2.899 280 T HA 0.326 4.676 4.350 -0.000 0.000 0.284 280 T C -1.736 172.985 174.700 0.035 0.000 1.004 280 T CA -1.913 60.169 62.100 -0.030 0.000 1.043 280 T CB 1.451 70.295 68.868 -0.040 0.000 1.013 280 T HN 0.405 nan 8.240 nan 0.000 0.518 281 P HA -0.065 nan 4.420 nan 0.000 0.218 281 P C 1.132 178.510 177.300 0.131 0.000 1.148 281 P CA 0.972 64.164 63.100 0.153 0.000 0.822 281 P CB 0.076 31.885 31.700 0.182 0.000 0.784 282 E N -1.250 119.004 120.200 0.090 0.000 2.072 282 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 282 E C 2.030 178.700 176.600 0.117 0.000 0.985 282 E CA 1.211 57.665 56.400 0.090 0.000 0.801 282 E CB -0.861 28.873 29.700 0.057 0.000 0.750 282 E HN 0.240 nan 8.360 nan 0.000 0.452 283 M N -0.036 119.625 119.600 0.103 0.000 2.117 283 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 283 M C 2.253 178.718 176.300 0.275 0.000 1.065 283 M CA 1.602 57.003 55.300 0.169 0.000 1.114 283 M CB -0.190 32.484 32.600 0.123 0.000 1.361 283 M HN 0.177 nan 8.290 nan 0.000 0.408 284 A N 0.240 123.181 122.820 0.202 0.000 1.930 284 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 284 A C 2.072 179.973 177.584 0.529 0.000 1.175 284 A CA 1.547 53.807 52.037 0.372 0.000 0.627 284 A CB -0.440 18.710 19.000 0.250 0.000 0.815 284 A HN 0.387 nan 8.150 nan 0.000 0.443 285 K N 0.459 121.061 120.400 0.337 0.000 2.063 285 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 285 K C 1.636 178.357 176.600 0.202 0.000 1.048 285 K CA 1.691 58.118 56.287 0.235 0.000 0.928 285 K CB -0.149 32.443 32.500 0.154 0.000 0.713 285 K HN 0.612 nan 8.250 nan 0.000 0.442 286 S N -0.049 115.771 115.700 0.199 0.000 2.583 286 S HA 0.098 4.568 4.470 -0.000 0.000 0.239 286 S C -0.520 174.181 174.600 0.169 0.000 0.966 286 S CA -0.524 57.767 58.200 0.151 0.000 0.973 286 S CB 0.262 63.531 63.200 0.116 0.000 0.794 286 S HN 0.089 nan 8.310 nan 0.000 0.463 287 D N 0.336 120.882 120.400 0.243 0.000 2.419 287 D HA 0.218 4.858 4.640 -0.000 0.000 0.219 287 D C -0.407 176.065 176.300 0.288 0.000 1.349 287 D CA -0.267 53.849 54.000 0.195 0.000 0.964 287 D CB 1.403 42.285 40.800 0.136 0.000 1.463 287 D HN -0.157 nan 8.370 nan 0.000 0.573 288 D N 1.572 122.106 120.400 0.224 0.000 2.218 288 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 288 D C 1.874 178.367 176.300 0.321 0.000 0.976 288 D CA 0.734 54.934 54.000 0.333 0.000 0.853 288 D CB 0.306 41.214 40.800 0.181 0.000 0.939 288 D HN 0.574 nan 8.370 nan 0.000 0.481 289 R N -0.600 119.949 120.500 0.082 0.000 2.297 289 R HA -0.015 4.325 4.340 -0.000 0.000 0.197 289 R C 1.747 178.009 176.300 -0.063 0.000 0.943 289 R CA 0.012 56.085 56.100 -0.045 0.000 1.038 289 R CB -0.937 29.274 30.300 -0.148 0.000 0.957 289 R HN 0.199 nan 8.270 nan 0.000 0.484 290 W N 0.673 121.977 121.300 0.007 0.000 2.364 290 W HA -0.115 4.545 4.660 -0.000 0.000 0.281 290 W C 0.558 176.948 176.519 -0.215 0.000 1.219 290 W CA 0.197 57.453 57.345 -0.148 0.000 1.220 290 W CB -0.074 29.158 29.460 -0.381 0.000 1.127 290 W HN 0.168 nan 8.180 nan 0.000 0.556 291 W N -0.694 120.720 121.300 0.190 0.000 3.316 291 W HA 0.198 4.858 4.660 -0.000 0.000 0.327 291 W C 1.224 177.674 176.519 -0.115 0.000 1.232 291 W CA -0.018 57.323 57.345 -0.007 0.000 1.805 291 W CB -0.223 29.122 29.460 -0.192 0.000 1.090 291 W HN -0.294 nan 8.180 nan 0.000 0.654 292 K N 0.268 120.712 120.400 0.073 0.000 2.506 292 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 292 K C -0.414 176.181 176.600 -0.009 0.000 1.045 292 K CA -0.051 56.225 56.287 -0.018 0.000 1.074 292 K CB 0.459 32.845 32.500 -0.190 0.000 0.842 292 K HN -0.222 nan 8.250 nan 0.000 0.514 293 D N 1.231 121.610 120.400 -0.035 0.000 2.441 293 D HA 0.068 4.708 4.640 -0.000 0.000 0.231 293 D C 0.706 176.886 176.300 -0.199 0.000 1.073 293 D CA -0.075 53.825 54.000 -0.166 0.000 0.850 293 D CB 1.257 41.859 40.800 -0.330 0.000 1.062 293 D HN -0.075 nan 8.370 nan 0.000 0.524 294 E N 2.654 122.799 120.200 -0.091 0.000 2.273 294 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 294 E C 1.441 178.014 176.600 -0.044 0.000 1.002 294 E CA 0.607 57.003 56.400 -0.006 0.000 0.828 294 E CB 0.192 29.942 29.700 0.083 0.000 0.747 294 E HN 0.547 nan 8.360 nan 0.000 0.491 295 R N -0.528 119.838 120.500 -0.222 0.000 2.200 295 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 295 R C 1.384 177.630 176.300 -0.089 0.000 1.127 295 R CA 1.073 57.045 56.100 -0.212 0.000 0.989 295 R CB -0.112 29.982 30.300 -0.343 0.000 0.869 295 R HN 0.408 nan 8.270 nan 0.000 0.459 296 Y N -0.876 119.438 120.300 0.023 0.000 2.467 296 Y HA 0.354 4.904 4.550 -0.000 0.000 0.250 296 Y C 0.804 176.663 175.900 -0.069 0.000 1.155 296 Y CA -0.933 57.151 58.100 -0.027 0.000 1.249 296 Y CB 0.584 39.015 38.460 -0.048 0.000 1.146 296 Y HN -0.063 nan 8.280 nan 0.000 0.524 297 A N 1.683 124.514 122.820 0.018 0.000 2.409 297 A HA 0.416 4.736 4.320 -0.000 0.000 0.267 297 A C -0.270 177.166 177.584 -0.248 0.000 1.127 297 A CA -0.346 51.589 52.037 -0.170 0.000 0.795 297 A CB -0.296 18.568 19.000 -0.226 0.000 1.061 297 A HN 0.354 nan 8.150 nan 0.000 0.502 298 I N 2.828 123.201 120.570 -0.330 0.000 2.371 298 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 298 I C 0.115 175.964 176.117 -0.446 0.000 1.028 298 I CA 0.288 61.449 61.300 -0.233 0.000 1.345 298 I CB 0.474 38.402 38.000 -0.119 0.000 1.407 298 I HN 0.843 nan 8.210 nan 0.000 0.501 299 Y N 2.098 122.480 120.300 0.137 0.000 3.026 299 Y HA 0.200 4.750 4.550 -0.000 0.000 0.160 299 Y C 0.568 176.591 175.900 0.205 0.000 0.896 299 Y CA -0.539 57.680 58.100 0.199 0.000 1.769 299 Y CB -0.103 38.511 38.460 0.257 0.000 1.264 299 Y HN 0.331 nan 8.280 nan 0.000 0.400 300 D N 2.124 122.784 120.400 0.433 0.000 2.488 300 D HA 0.088 4.728 4.640 -0.000 0.000 0.238 300 D C -0.284 176.109 176.300 0.154 0.000 1.138 300 D CA 0.555 54.695 54.000 0.232 0.000 0.873 300 D CB 0.560 41.453 40.800 0.154 0.000 1.183 300 D HN 0.125 nan 8.370 nan 0.000 0.458 301 L N 2.462 123.756 121.223 0.118 0.000 2.473 301 L HA 0.024 4.364 4.340 -0.000 0.000 0.268 301 L C 1.140 178.082 176.870 0.120 0.000 1.215 301 L CA -0.600 54.311 54.840 0.118 0.000 0.823 301 L CB 0.162 42.310 42.059 0.148 0.000 1.099 301 L HN 0.434 nan 8.230 nan 0.000 0.483 302 N N 1.072 119.843 118.700 0.117 0.000 2.413 302 N HA 0.319 5.059 4.740 -0.000 0.000 0.266 302 N C -0.722 174.849 175.510 0.102 0.000 1.238 302 N CA -0.801 52.303 53.050 0.090 0.000 0.972 302 N CB 0.405 38.925 38.487 0.056 0.000 1.210 302 N HN 0.295 nan 8.380 nan 0.000 0.547 303 L N 0.202 121.455 121.223 0.051 0.000 2.360 303 L HA 0.279 4.619 4.340 -0.000 0.000 0.276 303 L C -0.622 176.204 176.870 -0.073 0.000 1.121 303 L CA 0.467 55.309 54.840 0.003 0.000 0.845 303 L CB -0.461 41.599 42.059 0.002 0.000 1.143 303 L HN 0.491 nan 8.230 nan 0.000 0.452 304 Q N 3.551 123.189 119.800 -0.270 0.000 2.356 304 Q HA 0.579 4.919 4.340 -0.000 0.000 0.270 304 Q C -0.734 175.054 176.000 -0.353 0.000 1.058 304 Q CA -0.505 55.075 55.803 -0.372 0.000 0.802 304 Q CB 2.226 30.491 28.738 -0.789 0.000 1.303 304 Q HN 0.766 nan 8.270 nan 0.000 0.444 305 T N -0.630 113.782 114.554 -0.237 0.000 2.876 305 T HA 0.762 5.112 4.350 -0.000 0.000 0.289 305 T C -0.127 174.399 174.700 -0.289 0.000 1.014 305 T CA -0.700 61.252 62.100 -0.247 0.000 0.986 305 T CB 1.105 69.777 68.868 -0.326 0.000 1.021 305 T HN 0.336 nan 8.240 nan 0.000 0.458 306 I N 2.700 123.020 120.570 -0.418 0.000 2.582 306 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 306 I C -0.246 175.604 176.117 -0.445 0.000 1.066 306 I CA -1.324 59.503 61.300 -0.788 0.000 1.053 306 I CB 2.021 39.308 38.000 -1.189 0.000 1.241 306 I HN 0.760 nan 8.210 nan 0.000 0.421 307 I N 4.515 124.845 120.570 -0.400 0.000 2.371 307 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 307 I C 0.584 176.614 176.117 -0.145 0.000 1.028 307 I CA 0.014 61.281 61.300 -0.056 0.000 1.345 307 I CB 1.328 39.386 38.000 0.095 0.000 1.407 307 I HN 0.664 nan 8.210 nan 0.000 0.501 308 C N 3.898 123.037 119.300 -0.269 0.000 2.628 308 C HA 0.208 4.668 4.460 -0.000 0.000 0.393 308 C C 0.688 175.540 174.990 -0.229 0.000 1.328 308 C CA -0.073 58.816 59.018 -0.215 0.000 2.079 308 C CB -0.216 27.246 27.740 -0.463 0.000 2.663 308 C HN 0.558 nan 8.230 nan 0.000 0.557 309 K N 2.143 122.323 120.400 -0.367 0.000 2.244 309 K HA 0.434 4.754 4.320 -0.000 0.000 0.260 309 K C -2.850 173.718 176.600 -0.052 0.000 0.951 309 K CA -2.172 54.009 56.287 -0.178 0.000 0.826 309 K CB 0.833 33.169 32.500 -0.274 0.000 1.108 309 K HN 0.115 nan 8.250 nan 0.000 0.433 310 P HA 0.147 nan 4.420 nan 0.000 0.274 310 P C -0.438 176.891 177.300 0.048 0.000 1.237 310 P CA -0.239 62.776 63.100 -0.143 0.000 0.793 310 P CB 0.961 32.139 31.700 -0.870 0.000 0.977 311 E N 0.266 120.488 120.200 0.036 0.000 2.359 311 E HA 0.190 4.539 4.350 -0.000 0.000 0.255 311 E C 0.185 176.744 176.600 -0.069 0.000 1.191 311 E CA -0.764 55.609 56.400 -0.045 0.000 0.952 311 E CB 0.245 29.920 29.700 -0.043 0.000 1.152 311 E HN 0.378 nan 8.360 nan 0.000 0.496 312 N N 1.355 119.854 118.700 -0.335 0.000 2.483 312 N HA -0.074 4.666 4.740 -0.000 0.000 0.264 312 N C -0.451 175.077 175.510 0.030 0.000 1.197 312 N CA 0.625 53.587 53.050 -0.146 0.000 0.927 312 N CB 0.328 38.698 38.487 -0.194 0.000 1.065 312 N HN 0.420 nan 8.380 nan 0.000 0.461 313 Q N -0.841 119.032 119.800 0.121 0.000 2.324 313 Q HA -0.304 4.036 4.340 -0.000 0.000 0.200 313 Q C -0.452 175.612 176.000 0.107 0.000 0.645 313 Q CA 0.897 56.761 55.803 0.101 0.000 1.377 313 Q CB -1.753 27.022 28.738 0.061 0.000 1.486 313 Q HN 0.906 nan 8.270 nan 0.000 0.796 314 Q N 0.840 120.730 119.800 0.150 0.000 2.315 314 Q HA 0.283 4.623 4.340 -0.000 0.000 0.289 314 Q C -0.516 175.590 176.000 0.177 0.000 1.044 314 Q CA 0.201 56.095 55.803 0.151 0.000 0.920 314 Q CB 0.702 29.527 28.738 0.146 0.000 1.214 314 Q HN 0.098 nan 8.270 nan 0.000 0.392 315 V N 5.560 125.529 119.914 0.092 0.000 2.547 315 V HA 0.569 4.689 4.120 -0.000 0.000 0.299 315 V C -0.471 175.650 176.094 0.045 0.000 1.040 315 V CA -0.704 61.616 62.300 0.033 0.000 0.913 315 V CB 1.580 33.404 31.823 0.001 0.000 0.992 315 V HN 0.757 nan 8.190 nan 0.000 0.449 316 I N 3.309 123.887 120.570 0.014 0.000 2.644 316 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 316 I C -0.375 175.736 176.117 -0.010 0.000 1.180 316 I CA -0.448 60.865 61.300 0.021 0.000 1.040 316 I CB 1.995 40.011 38.000 0.026 0.000 1.255 316 I HN 0.578 nan 8.210 nan 0.000 0.422 317 K N 6.651 127.053 120.400 0.003 0.000 2.368 317 K HA 0.462 4.782 4.320 -0.000 0.000 0.282 317 K C -0.512 176.088 176.600 0.000 0.000 1.035 317 K CA -0.285 55.999 56.287 -0.005 0.000 0.973 317 K CB 0.505 33.008 32.500 0.005 0.000 0.957 317 K HN 0.530 nan 8.250 nan 0.000 0.474 318 I N 3.386 123.948 120.570 -0.013 0.000 2.752 318 I HA -0.057 4.113 4.170 -0.000 0.000 0.287 318 I C 0.517 176.637 176.117 0.006 0.000 1.188 318 I CA 0.681 61.977 61.300 -0.006 0.000 1.427 318 I CB 0.755 38.743 38.000 -0.020 0.000 1.365 318 I HN 0.800 nan 8.210 nan 0.000 0.585 319 S N 3.579 119.288 115.700 0.015 0.000 2.724 319 S HA 0.316 4.786 4.470 -0.000 0.000 0.278 319 S C -0.144 174.469 174.600 0.021 0.000 1.190 319 S CA -0.872 57.339 58.200 0.018 0.000 0.860 319 S CB 1.405 64.621 63.200 0.026 0.000 1.206 319 S HN 0.528 nan 8.310 nan 0.000 0.507 320 E N 0.918 121.130 120.200 0.020 0.000 2.465 320 E HA 0.204 4.554 4.350 -0.000 0.000 0.191 320 E C -0.661 175.956 176.600 0.028 0.000 1.053 320 E CA 0.121 56.532 56.400 0.020 0.000 0.869 320 E CB -0.267 29.441 29.700 0.013 0.000 0.977 320 E HN 0.473 nan 8.360 nan 0.000 0.483 321 D N 1.852 122.275 120.400 0.038 0.000 2.344 321 D HA 0.052 4.691 4.640 -0.000 0.000 0.244 321 D C 0.603 176.942 176.300 0.066 0.000 1.134 321 D CA 0.107 54.136 54.000 0.049 0.000 0.930 321 D CB 0.921 41.757 40.800 0.060 0.000 1.175 321 D HN -0.079 nan 8.370 nan 0.000 0.437 322 E N 0.497 120.732 120.200 0.058 0.000 2.383 322 E HA 0.087 4.437 4.350 -0.000 0.000 0.264 322 E C -0.650 176.023 176.600 0.120 0.000 1.050 322 E CA -0.057 56.382 56.400 0.065 0.000 0.896 322 E CB 0.854 30.568 29.700 0.022 0.000 0.982 322 E HN 0.389 nan 8.360 nan 0.000 0.424 323 Y N 0.630 120.929 120.300 -0.001 0.000 2.409 323 Y HA 0.155 4.705 4.550 -0.000 0.000 0.343 323 Y C -0.256 175.624 175.900 -0.033 0.000 0.973 323 Y CA -0.909 57.181 58.100 -0.017 0.000 1.064 323 Y CB 1.567 40.017 38.460 -0.016 0.000 1.207 323 Y HN 0.469 nan 8.280 nan 0.000 0.452 324 E N 6.926 126.681 120.200 -0.742 0.000 1.893 324 E HA 0.280 4.630 4.350 -0.000 0.000 0.269 324 E C -0.614 175.665 176.600 -0.535 0.000 1.129 324 E CA -0.246 55.861 56.400 -0.489 0.000 0.904 324 E CB 0.099 29.563 29.700 -0.392 0.000 1.077 324 E HN 0.646 nan 8.360 nan 0.000 0.407 325 I N 3.020 123.500 120.570 -0.150 0.000 2.813 325 I HA 0.132 4.302 4.170 -0.000 0.000 0.287 325 I C 0.396 176.375 176.117 -0.230 0.000 1.196 325 I CA 0.356 61.635 61.300 -0.035 0.000 1.421 325 I CB 0.775 38.867 38.000 0.154 0.000 1.365 325 I HN 0.534 nan 8.210 nan 0.000 0.591 326 A N 3.883 126.383 122.820 -0.534 0.000 2.604 326 A HA 0.887 5.206 4.320 -0.000 0.000 0.295 326 A C -0.452 176.208 177.584 -1.540 0.000 1.067 326 A CA 0.105 51.522 52.037 -1.034 0.000 0.683 326 A CB 1.676 20.320 19.000 -0.594 0.000 1.281 326 A HN 0.911 nan 8.150 nan 0.000 0.407 327 G N -0.732 106.806 108.800 -2.104 0.000 2.500 327 G HA2 0.762 4.722 3.960 -0.000 0.000 0.299 327 G HA3 0.762 4.722 3.960 -0.000 0.000 0.299 327 G C -1.173 173.279 174.900 -0.748 0.000 1.242 327 G CA 0.219 44.592 45.100 -1.212 0.000 0.859 327 G HN 1.886 nan 8.290 nan 0.000 0.481 328 F N -1.248 118.586 119.950 -0.193 0.000 2.640 328 F HA 0.960 5.486 4.527 -0.000 0.000 0.324 328 F C 0.118 176.023 175.800 0.176 0.000 1.077 328 F CA -1.110 56.739 58.000 -0.251 0.000 0.965 328 F CB 1.738 40.322 39.000 -0.693 0.000 1.351 328 F HN 1.029 nan 8.300 nan 0.000 0.487 329 G N 0.012 109.059 108.800 0.412 0.000 2.704 329 G HA2 0.610 4.570 3.960 -0.000 0.000 0.293 329 G HA3 0.610 4.570 3.960 -0.000 0.000 0.293 329 G C -2.509 172.613 174.900 0.369 0.000 1.421 329 G CA -0.846 44.399 45.100 0.241 0.000 0.870 329 G HN 1.122 nan 8.290 nan 0.000 0.492 330 Y N -0.796 119.677 120.300 0.289 0.000 2.588 330 Y HA 0.845 5.395 4.550 -0.000 0.000 0.343 330 Y C -0.831 175.154 175.900 0.142 0.000 1.065 330 Y CA -1.745 56.491 58.100 0.227 0.000 1.038 330 Y CB 1.861 40.440 38.460 0.198 0.000 1.297 330 Y HN 0.626 nan 8.280 nan 0.000 0.467 331 N N -0.718 118.192 118.700 0.349 0.000 2.774 331 N HA 0.682 5.422 4.740 -0.000 0.000 0.264 331 N C -0.788 174.830 175.510 0.180 0.000 1.415 331 N CA -0.154 53.026 53.050 0.216 0.000 0.815 331 N CB 2.368 40.933 38.487 0.129 0.000 1.514 331 N HN 1.207 nan 8.380 nan 0.000 0.523 332 G N -1.765 107.105 108.800 0.118 0.000 2.488 332 G HA2 0.465 4.425 3.960 -0.000 0.000 0.318 332 G HA3 0.465 4.425 3.960 -0.000 0.000 0.318 332 G C 0.568 175.475 174.900 0.011 0.000 1.188 332 G CA -0.103 45.040 45.100 0.072 0.000 0.944 332 G HN 1.135 nan 8.290 nan 0.000 0.495 333 G N -1.386 107.386 108.800 -0.048 0.000 2.244 333 G HA2 0.151 4.111 3.960 -0.000 0.000 0.274 333 G HA3 0.151 4.111 3.960 -0.000 0.000 0.274 333 G C 1.493 176.315 174.900 -0.130 0.000 1.002 333 G CA 1.368 46.374 45.100 -0.155 0.000 0.740 333 G HN 2.542 nan 8.290 nan 0.000 0.516 334 G N -2.828 105.935 108.800 -0.063 0.000 2.153 334 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.252 334 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.252 334 G C 0.398 175.282 174.900 -0.027 0.000 0.994 334 G CA 0.585 45.659 45.100 -0.043 0.000 0.698 334 G HN 1.627 nan 8.290 nan 0.000 0.521 335 V N 1.255 121.160 119.914 -0.015 0.000 2.488 335 V HA 0.352 4.472 4.120 -0.000 0.000 0.277 335 V C 1.301 177.413 176.094 0.030 0.000 1.046 335 V CA -0.482 61.814 62.300 -0.006 0.000 0.986 335 V CB 1.302 33.119 31.823 -0.010 0.000 0.989 335 V HN 0.525 nan 8.190 nan 0.000 0.475 336 R N 4.214 124.724 120.500 0.018 0.000 2.643 336 R HA 0.304 4.644 4.340 -0.000 0.000 0.270 336 R C -0.427 175.923 176.300 0.084 0.000 1.061 336 R CA -0.377 55.752 56.100 0.048 0.000 1.107 336 R CB 0.408 30.686 30.300 -0.036 0.000 0.999 336 R HN 0.651 nan 8.270 nan 0.000 0.460 337 I N 3.737 124.408 120.570 0.169 0.000 2.337 337 I HA 0.078 4.248 4.170 -0.000 0.000 0.291 337 I C 1.374 177.590 176.117 0.164 0.000 1.046 337 I CA 0.153 61.535 61.300 0.137 0.000 1.324 337 I CB 1.697 39.778 38.000 0.134 0.000 1.409 337 I HN 0.908 nan 8.210 nan 0.000 0.494 338 G N 7.049 115.893 108.800 0.073 0.000 2.426 338 G HA2 0.009 3.969 3.960 -0.000 0.000 0.214 338 G HA3 0.009 3.969 3.960 -0.000 0.000 0.214 338 G C 0.575 175.504 174.900 0.049 0.000 1.156 338 G CA 0.010 45.149 45.100 0.066 0.000 0.802 338 G HN 0.650 nan 8.290 nan 0.000 0.534 339 R N -0.869 119.621 120.500 -0.017 0.000 2.626 339 R HA 0.652 4.992 4.340 -0.000 0.000 0.274 339 R C -1.993 174.212 176.300 -0.158 0.000 1.031 339 R CA -0.857 55.199 56.100 -0.073 0.000 0.898 339 R CB 1.110 31.351 30.300 -0.099 0.000 1.222 339 R HN 0.028 nan 8.270 nan 0.000 0.455 340 I N 1.876 122.324 120.570 -0.204 0.000 2.465 340 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 340 I C -0.506 175.401 176.117 -0.350 0.000 1.014 340 I CA -0.758 60.317 61.300 -0.374 0.000 1.093 340 I CB 2.354 40.027 38.000 -0.546 0.000 1.267 340 I HN 0.619 nan 8.210 nan 0.000 0.431 341 E N 5.101 125.062 120.200 -0.400 0.000 2.248 341 E HA 0.600 4.950 4.350 -0.000 0.000 0.267 341 E C -1.447 175.127 176.600 -0.044 0.000 0.877 341 E CA -0.762 55.510 56.400 -0.213 0.000 0.759 341 E CB 3.257 32.750 29.700 -0.344 0.000 1.182 341 E HN 0.194 nan 8.360 nan 0.000 0.418 342 V N 1.849 121.821 119.914 0.097 0.000 2.495 342 V HA 0.412 4.532 4.120 -0.000 0.000 0.298 342 V C -0.391 175.655 176.094 -0.080 0.000 1.031 342 V CA -0.598 61.721 62.300 0.032 0.000 0.871 342 V CB 1.833 33.623 31.823 -0.054 0.000 0.988 342 V HN 0.607 nan 8.190 nan 0.000 0.432 343 S N 4.017 119.431 115.700 -0.476 0.000 2.482 343 S HA 0.651 5.121 4.470 -0.000 0.000 0.303 343 S C 0.221 174.541 174.600 -0.467 0.000 1.091 343 S CA -0.641 57.077 58.200 -0.804 0.000 1.057 343 S CB 1.202 63.396 63.200 -1.677 0.000 1.031 343 S HN 0.641 nan 8.310 nan 0.000 0.485 344 L N 3.051 124.065 121.223 -0.348 0.000 2.766 344 L HA 0.317 4.657 4.340 -0.000 0.000 0.242 344 L C 0.162 176.896 176.870 -0.226 0.000 1.136 344 L CA 0.074 54.773 54.840 -0.235 0.000 0.933 344 L CB 0.081 42.053 42.059 -0.145 0.000 1.241 344 L HN 0.662 nan 8.230 nan 0.000 0.522 345 D N -1.028 119.204 120.400 -0.279 0.000 2.623 345 D HA 0.072 4.712 4.640 -0.000 0.000 0.252 345 D C 0.218 176.421 176.300 -0.162 0.000 1.294 345 D CA -0.436 53.445 54.000 -0.198 0.000 0.824 345 D CB 0.163 40.862 40.800 -0.169 0.000 1.070 345 D HN -0.028 nan 8.370 nan 0.000 0.487 346 K N 0.035 120.326 120.400 -0.181 0.000 3.192 346 K HA -0.079 4.241 4.320 -0.000 0.000 0.278 346 K C 0.823 177.498 176.600 0.125 0.000 1.164 346 K CA 0.337 56.642 56.287 0.029 0.000 0.816 346 K CB -2.007 30.609 32.500 0.192 0.000 1.256 346 K HN 0.592 nan 8.250 nan 0.000 0.497 347 G N 0.314 108.961 108.800 -0.254 0.000 2.182 347 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.248 347 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.248 347 G C 0.601 175.431 174.900 -0.117 0.000 1.042 347 G CA 0.782 45.690 45.100 -0.319 0.000 0.775 347 G HN 0.430 nan 8.290 nan 0.000 0.501 348 K N -0.398 119.874 120.400 -0.212 0.000 2.168 348 K HA 0.228 4.547 4.320 -0.000 0.000 0.201 348 K C 1.561 178.094 176.600 -0.112 0.000 1.049 348 K CA 1.222 57.464 56.287 -0.076 0.000 0.974 348 K CB 0.174 32.638 32.500 -0.059 0.000 0.792 348 K HN 0.681 nan 8.250 nan 0.000 0.463 349 S N -0.915 114.606 115.700 -0.299 0.000 2.667 349 S HA 0.593 5.062 4.470 -0.000 0.000 0.292 349 S C -1.643 172.626 174.600 -0.551 0.000 1.126 349 S CA -0.985 57.078 58.200 -0.229 0.000 0.881 349 S CB 1.206 64.340 63.200 -0.110 0.000 1.132 349 S HN 0.222 nan 8.310 nan 0.000 0.492 350 W N 0.017 121.263 121.300 -0.091 0.000 3.256 350 W HA 0.611 5.270 4.660 -0.000 0.000 0.324 350 W C -0.882 175.575 176.519 -0.104 0.000 1.196 350 W CA -0.610 56.657 57.345 -0.131 0.000 1.206 350 W CB 2.105 31.467 29.460 -0.165 0.000 1.385 350 W HN 0.617 nan 8.180 nan 0.000 0.522 351 K N 2.050 122.538 120.400 0.146 0.000 2.270 351 K HA 0.575 4.895 4.320 -0.000 0.000 0.255 351 K C -1.183 175.446 176.600 0.048 0.000 0.936 351 K CA -1.049 55.277 56.287 0.065 0.000 0.809 351 K CB 2.049 34.562 32.500 0.022 0.000 1.131 351 K HN 0.279 nan 8.250 nan 0.000 0.427 352 L N 3.023 124.261 121.223 0.024 0.000 2.313 352 L HA 0.339 4.679 4.340 -0.000 0.000 0.282 352 L C -0.334 176.540 176.870 0.006 0.000 1.092 352 L CA 0.308 55.145 54.840 -0.005 0.000 0.831 352 L CB 0.524 42.582 42.059 -0.003 0.000 1.159 352 L HN 0.803 nan 8.230 nan 0.000 0.442 353 A N 3.880 126.694 122.820 -0.011 0.000 2.304 353 A HA 0.387 4.707 4.320 -0.000 0.000 0.271 353 A C -0.431 177.190 177.584 0.062 0.000 1.091 353 A CA -0.603 51.471 52.037 0.060 0.000 0.812 353 A CB 0.142 19.193 19.000 0.085 0.000 1.056 353 A HN 0.693 nan 8.150 nan 0.000 0.489 354 D N 1.042 121.499 120.400 0.094 0.000 2.280 354 D HA 0.446 5.086 4.640 -0.000 0.000 0.243 354 D C -0.383 175.957 176.300 0.067 0.000 1.129 354 D CA 0.467 54.504 54.000 0.062 0.000 0.848 354 D CB 1.077 41.903 40.800 0.045 0.000 1.107 354 D HN 0.366 nan 8.370 nan 0.000 0.471 355 I N 1.535 122.102 120.570 -0.004 0.000 2.437 355 I HA 0.163 4.333 4.170 -0.000 0.000 0.298 355 I C 0.184 176.159 176.117 -0.236 0.000 0.984 355 I CA -0.719 60.497 61.300 -0.140 0.000 1.214 355 I CB 1.549 39.343 38.000 -0.343 0.000 1.365 355 I HN 0.143 nan 8.210 nan 0.000 0.469 356 D N 4.884 125.148 120.400 -0.227 0.000 2.278 356 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 356 D C -1.490 174.695 176.300 -0.193 0.000 1.052 356 D CA -0.293 53.623 54.000 -0.140 0.000 0.834 356 D CB 0.825 41.608 40.800 -0.028 0.000 1.194 356 D HN 0.227 nan 8.370 nan 0.000 0.481 357 Y N 3.759 124.114 120.300 0.091 0.000 2.842 357 Y HA 0.312 4.862 4.550 -0.000 0.000 0.334 357 Y C -1.670 174.228 175.900 -0.003 0.000 1.019 357 Y CA -2.115 56.049 58.100 0.106 0.000 1.258 357 Y CB 1.750 40.268 38.460 0.097 0.000 1.106 357 Y HN 0.359 nan 8.280 nan 0.000 0.545 358 P HA -0.207 nan 4.420 nan 0.000 0.223 358 P C 1.432 178.566 177.300 -0.278 0.000 1.144 358 P CA 1.284 64.160 63.100 -0.374 0.000 0.783 358 P CB 0.429 31.569 31.700 -0.933 0.000 0.771 359 E N 0.029 120.215 120.200 -0.023 0.000 2.160 359 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 359 E C 1.125 177.845 176.600 0.199 0.000 0.991 359 E CA 1.076 57.616 56.400 0.233 0.000 0.810 359 E CB -0.301 29.569 29.700 0.284 0.000 0.742 359 E HN 0.184 nan 8.360 nan 0.000 0.466 360 D N 0.028 120.493 120.400 0.108 0.000 2.264 360 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 360 D C 1.861 178.178 176.300 0.028 0.000 0.966 360 D CA 0.451 54.482 54.000 0.051 0.000 0.864 360 D CB -0.031 40.784 40.800 0.026 0.000 0.933 360 D HN 0.130 nan 8.370 nan 0.000 0.499 361 R N 0.266 120.752 120.500 -0.023 0.000 2.073 361 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 361 R C 2.301 178.567 176.300 -0.057 0.000 1.134 361 R CA 0.893 56.935 56.100 -0.097 0.000 0.952 361 R CB -1.208 28.946 30.300 -0.243 0.000 0.850 361 R HN 0.397 nan 8.270 nan 0.000 0.433 362 Y N 0.676 120.940 120.300 -0.059 0.000 2.224 362 Y HA -0.116 4.434 4.550 -0.000 0.000 0.289 362 Y C 2.725 178.565 175.900 -0.101 0.000 1.146 362 Y CA 1.251 59.215 58.100 -0.227 0.000 1.182 362 Y CB -0.444 37.782 38.460 -0.390 0.000 0.983 362 Y HN 0.033 nan 8.280 nan 0.000 0.524 363 R N 0.758 121.324 120.500 0.111 0.000 2.070 363 R HA -0.206 4.134 4.340 -0.000 0.000 0.232 363 R C 1.966 178.283 176.300 0.027 0.000 1.138 363 R CA 2.023 58.151 56.100 0.047 0.000 0.936 363 R CB -0.267 30.047 30.300 0.024 0.000 0.839 363 R HN 0.375 nan 8.270 nan 0.000 0.429 364 E N -0.505 119.712 120.200 0.028 0.000 2.267 364 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 364 E C 1.470 178.102 176.600 0.053 0.000 0.998 364 E CA 1.184 57.597 56.400 0.022 0.000 0.830 364 E CB 0.002 29.709 29.700 0.012 0.000 0.751 364 E HN 0.435 nan 8.360 nan 0.000 0.491 365 A N 0.458 123.345 122.820 0.112 0.000 2.218 365 A HA 0.351 4.671 4.320 -0.000 0.000 0.209 365 A C 1.225 178.991 177.584 0.302 0.000 1.168 365 A CA 0.696 52.874 52.037 0.235 0.000 0.804 365 A CB -0.400 18.793 19.000 0.322 0.000 0.834 365 A HN 0.297 nan 8.150 nan 0.000 0.482 366 G N -1.264 107.602 108.800 0.110 0.000 2.645 366 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.239 366 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.239 366 G C -0.264 174.701 174.900 0.108 0.000 1.331 366 G CA -0.063 44.998 45.100 -0.064 0.000 0.890 366 G HN 0.510 nan 8.290 nan 0.000 0.572 367 Y N -0.691 119.707 120.300 0.163 0.000 2.335 367 Y HA 0.595 5.145 4.550 -0.000 0.000 0.331 367 Y C 0.633 176.589 175.900 0.093 0.000 1.094 367 Y CA -0.131 58.059 58.100 0.151 0.000 1.253 367 Y CB 0.770 39.264 38.460 0.056 0.000 1.203 367 Y HN 0.451 nan 8.280 nan 0.000 0.508 368 F N 1.634 121.740 119.950 0.260 0.000 2.626 368 F HA 0.531 5.058 4.527 -0.000 0.000 0.311 368 F C -0.445 175.428 175.800 0.122 0.000 1.088 368 F CA -1.346 56.766 58.000 0.188 0.000 0.949 368 F CB 1.669 40.830 39.000 0.268 0.000 1.322 368 F HN 0.230 nan 8.300 nan 0.000 0.461 369 R N 2.181 122.840 120.500 0.266 0.000 2.295 369 R HA 0.656 4.995 4.340 -0.000 0.000 0.324 369 R C -1.752 174.617 176.300 0.115 0.000 0.968 369 R CA -0.825 55.361 56.100 0.143 0.000 0.837 369 R CB 1.565 31.910 30.300 0.076 0.000 1.133 369 R HN 0.574 nan 8.270 nan 0.000 0.450 370 L N 3.628 124.863 121.223 0.019 0.000 2.436 370 L HA 0.391 4.731 4.340 -0.000 0.000 0.268 370 L C -0.266 176.497 176.870 -0.178 0.000 0.974 370 L CA -0.086 54.623 54.840 -0.220 0.000 0.826 370 L CB 0.876 42.736 42.059 -0.332 0.000 1.291 370 L HN 0.749 nan 8.230 nan 0.000 0.406 371 F N 4.708 124.679 119.950 0.035 0.000 3.097 371 F HA -0.227 4.300 4.527 -0.000 0.000 0.278 371 F C 1.556 177.345 175.800 -0.017 0.000 0.917 371 F CA 0.749 58.736 58.000 -0.022 0.000 0.962 371 F CB -1.648 37.309 39.000 -0.071 0.000 0.964 371 F HN 0.943 nan 8.300 nan 0.000 0.668 372 G N -0.618 108.263 108.800 0.136 0.000 2.159 372 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.256 372 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.256 372 G C 0.270 175.210 174.900 0.067 0.000 0.977 372 G CA 0.006 45.164 45.100 0.096 0.000 0.652 372 G HN 1.364 nan 8.290 nan 0.000 0.531 373 G N -0.915 107.920 108.800 0.058 0.000 2.481 373 G HA2 0.651 4.611 3.960 -0.000 0.000 0.315 373 G HA3 0.651 4.611 3.960 -0.000 0.000 0.315 373 G C -0.302 174.617 174.900 0.031 0.000 1.231 373 G CA -0.829 44.285 45.100 0.023 0.000 0.968 373 G HN 0.637 nan 8.290 nan 0.000 0.482 374 L N 1.945 123.158 121.223 -0.016 0.000 2.410 374 L HA 0.284 4.624 4.340 -0.000 0.000 0.273 374 L C -0.171 176.825 176.870 0.211 0.000 1.144 374 L CA -0.415 54.467 54.840 0.070 0.000 0.863 374 L CB 1.012 43.048 42.059 -0.038 0.000 1.140 374 L HN 0.131 nan 8.230 nan 0.000 0.463 375 V N 5.555 125.604 119.914 0.225 0.000 2.368 375 V HA 0.192 4.312 4.120 -0.000 0.000 0.266 375 V C 0.431 176.700 176.094 0.292 0.000 1.045 375 V CA -0.507 61.904 62.300 0.185 0.000 0.899 375 V CB 0.854 32.738 31.823 0.102 0.000 1.006 375 V HN 0.892 nan 8.190 nan 0.000 0.470 376 N N 4.137 122.989 118.700 0.253 0.000 2.536 376 N HA 0.051 4.791 4.740 -0.000 0.000 0.286 376 N C 0.394 175.989 175.510 0.142 0.000 1.577 376 N CA -0.291 52.948 53.050 0.316 0.000 0.883 376 N CB 0.703 39.444 38.487 0.424 0.000 1.390 376 N HN 0.270 nan 8.380 nan 0.000 0.491 377 V N 0.636 120.587 119.914 0.061 0.000 2.490 377 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 377 V C 2.777 178.882 176.094 0.019 0.000 1.061 377 V CA 1.923 64.229 62.300 0.011 0.000 1.064 377 V CB -1.177 30.639 31.823 -0.011 0.000 0.670 377 V HN 0.790 nan 8.190 nan 0.000 0.461 378 C N -0.030 119.279 119.300 0.015 0.000 2.397 378 C HA -0.194 4.266 4.460 -0.000 0.000 0.286 378 C C 1.994 176.963 174.990 -0.035 0.000 1.308 378 C CA 0.703 59.694 59.018 -0.045 0.000 1.805 378 C CB -1.377 26.267 27.740 -0.159 0.000 1.952 378 C HN 0.536 nan 8.230 nan 0.000 0.518 379 D N 0.612 121.033 120.400 0.034 0.000 2.355 379 D HA 0.086 4.726 4.640 -0.000 0.000 0.218 379 D C 1.150 177.462 176.300 0.019 0.000 1.004 379 D CA 0.717 54.754 54.000 0.060 0.000 0.880 379 D CB 0.001 40.882 40.800 0.134 0.000 0.911 379 D HN 0.701 nan 8.370 nan 0.000 0.528 380 R N -0.489 120.011 120.500 0.000 0.000 2.892 380 R HA 0.529 4.868 4.340 -0.000 0.000 0.265 380 R C 0.800 177.085 176.300 -0.025 0.000 1.025 380 R CA -0.541 55.549 56.100 -0.018 0.000 0.982 380 R CB 1.625 31.907 30.300 -0.029 0.000 1.185 380 R HN -0.119 nan 8.270 nan 0.000 0.484 381 M N 0.336 119.916 119.600 -0.034 0.000 2.308 381 M HA 0.101 4.581 4.480 -0.000 0.000 0.269 381 M C 0.111 176.383 176.300 -0.046 0.000 1.040 381 M CA 0.117 55.393 55.300 -0.041 0.000 1.024 381 M CB 0.852 33.427 32.600 -0.043 0.000 1.465 381 M HN 0.602 nan 8.290 nan 0.000 0.517 382 S N 0.147 115.821 115.700 -0.043 0.000 2.592 382 S HA 0.268 4.738 4.470 -0.000 0.000 0.271 382 S C -0.049 174.542 174.600 -0.015 0.000 1.326 382 S CA -0.799 57.376 58.200 -0.042 0.000 1.024 382 S CB 0.913 64.079 63.200 -0.058 0.000 0.921 382 S HN 0.339 nan 8.310 nan 0.000 0.527 383 C N 3.100 122.404 119.300 0.006 0.000 2.239 383 C HA 0.391 4.851 4.460 -0.000 0.000 0.323 383 C C 1.390 176.424 174.990 0.074 0.000 1.205 383 C CA -0.760 58.296 59.018 0.064 0.000 1.584 383 C CB -1.382 26.419 27.740 0.102 0.000 2.201 383 C HN 0.884 nan 8.230 nan 0.000 0.475 384 L N 0.991 122.256 121.223 0.070 0.000 2.592 384 L HA 0.166 4.506 4.340 -0.000 0.000 0.227 384 L C 0.483 177.406 176.870 0.088 0.000 1.127 384 L CA 0.539 55.407 54.840 0.048 0.000 0.884 384 L CB -0.354 41.709 42.059 0.006 0.000 1.065 384 L HN 0.641 nan 8.230 nan 0.000 0.457 385 C N -0.855 118.564 119.300 0.198 0.000 2.848 385 C HA 0.506 4.965 4.460 -0.000 0.000 0.317 385 C C 0.163 175.426 174.990 0.455 0.000 1.260 385 C CA -1.312 57.880 59.018 0.290 0.000 1.656 385 C CB 1.475 29.514 27.740 0.498 0.000 2.174 385 C HN 0.441 nan 8.230 nan 0.000 0.479 386 W N 1.092 122.476 121.300 0.140 0.000 1.902 386 W HA 0.566 5.226 4.660 -0.000 0.000 0.360 386 W C 0.097 176.765 176.519 0.248 0.000 1.414 386 W CA -1.158 56.277 57.345 0.151 0.000 1.457 386 W CB -1.225 28.212 29.460 -0.037 0.000 1.279 386 W HN 0.937 nan 8.180 nan 0.000 0.665 387 C N -1.019 118.383 119.300 0.171 0.000 3.236 387 C HA 0.851 5.311 4.460 -0.000 0.000 0.312 387 C C -1.117 173.660 174.990 -0.355 0.000 1.374 387 C CA -1.436 57.583 59.018 0.001 0.000 1.455 387 C CB 0.990 28.763 27.740 0.055 0.000 1.834 387 C HN 0.563 nan 8.230 nan 0.000 0.460 388 F N 1.635 121.534 119.950 -0.086 0.000 2.546 388 F HA 0.854 5.380 4.527 -0.000 0.000 0.320 388 F C 0.012 175.797 175.800 -0.026 0.000 1.076 388 F CA -0.303 57.634 58.000 -0.105 0.000 0.928 388 F CB 1.534 40.396 39.000 -0.230 0.000 1.189 388 F HN 0.938 nan 8.300 nan 0.000 0.465 389 W N 1.163 122.507 121.300 0.072 0.000 3.031 389 W HA 0.810 5.470 4.660 -0.000 0.000 0.337 389 W C -2.079 174.453 176.519 0.022 0.000 1.187 389 W CA -1.229 56.109 57.345 -0.012 0.000 1.166 389 W CB 1.577 30.993 29.460 -0.074 0.000 1.437 389 W HN 0.440 nan 8.180 nan 0.000 0.551 390 K N 1.584 122.104 120.400 0.201 0.000 2.527 390 K HA 0.686 5.006 4.320 -0.000 0.000 0.260 390 K C -2.006 174.702 176.600 0.180 0.000 0.937 390 K CA -0.965 55.354 56.287 0.054 0.000 0.826 390 K CB 3.014 35.503 32.500 -0.020 0.000 1.359 390 K HN 0.379 nan 8.250 nan 0.000 0.434 391 L N 1.729 123.032 121.223 0.134 0.000 2.562 391 L HA 0.360 4.700 4.340 -0.000 0.000 0.266 391 L C -1.651 175.244 176.870 0.042 0.000 0.949 391 L CA -0.356 54.548 54.840 0.108 0.000 0.879 391 L CB 1.725 43.882 42.059 0.162 0.000 1.278 391 L HN 0.454 nan 8.230 nan 0.000 0.404 392 K N 4.266 124.674 120.400 0.014 0.000 2.276 392 K HA 0.646 4.966 4.320 -0.000 0.000 0.285 392 K C -0.645 175.973 176.600 0.030 0.000 1.062 392 K CA -0.411 55.877 56.287 0.001 0.000 0.918 392 K CB 1.378 33.869 32.500 -0.014 0.000 1.055 392 K HN 0.514 nan 8.250 nan 0.000 0.477 393 V N 1.052 120.999 119.914 0.055 0.000 3.001 393 V HA 0.585 4.705 4.120 -0.000 0.000 0.314 393 V C -2.813 173.323 176.094 0.070 0.000 1.099 393 V CA -3.167 59.166 62.300 0.055 0.000 0.989 393 V CB 1.798 33.653 31.823 0.053 0.000 1.040 393 V HN 0.505 nan 8.190 nan 0.000 0.434 394 P HA 0.177 nan 4.420 nan 0.000 0.267 394 P C 0.804 178.142 177.300 0.062 0.000 1.205 394 P CA -0.183 62.947 63.100 0.050 0.000 0.765 394 P CB 0.533 32.250 31.700 0.028 0.000 0.828 395 L N 2.888 124.155 121.223 0.075 0.000 2.081 395 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 395 L C 2.064 178.958 176.870 0.039 0.000 1.080 395 L CA 2.255 57.138 54.840 0.071 0.000 0.754 395 L CB -1.961 40.137 42.059 0.065 0.000 0.893 395 L HN 0.363 nan 8.230 nan 0.000 0.433 396 S N -1.575 114.140 115.700 0.026 0.000 2.442 396 S HA -0.193 4.277 4.470 -0.000 0.000 0.236 396 S C 1.790 176.391 174.600 0.002 0.000 1.007 396 S CA 1.016 59.221 58.200 0.008 0.000 0.965 396 S CB -0.248 62.956 63.200 0.006 0.000 0.773 396 S HN 0.510 nan 8.310 nan 0.000 0.504 397 E N 1.291 121.497 120.200 0.009 0.000 2.076 397 E HA 0.023 4.373 4.350 -0.000 0.000 0.190 397 E C 1.887 178.485 176.600 -0.004 0.000 0.979 397 E CA 0.595 56.994 56.400 -0.002 0.000 0.807 397 E CB -0.166 29.533 29.700 -0.002 0.000 0.761 397 E HN 0.522 nan 8.360 nan 0.000 0.454 398 L N 0.559 121.795 121.223 0.022 0.000 2.127 398 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 398 L C 2.607 179.476 176.870 -0.001 0.000 1.089 398 L CA 0.988 55.850 54.840 0.037 0.000 0.757 398 L CB -0.481 41.649 42.059 0.119 0.000 0.899 398 L HN 0.158 nan 8.230 nan 0.000 0.434 399 A N 0.539 123.351 122.820 -0.013 0.000 1.978 399 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 399 A C 2.183 179.738 177.584 -0.049 0.000 1.170 399 A CA 1.420 53.432 52.037 -0.042 0.000 0.636 399 A CB -0.409 18.572 19.000 -0.032 0.000 0.810 399 A HN 0.442 nan 8.150 nan 0.000 0.448 400 R N -0.170 120.305 120.500 -0.040 0.000 2.388 400 R HA 0.247 4.587 4.340 -0.000 0.000 0.247 400 R C -0.459 175.807 176.300 -0.056 0.000 0.931 400 R CA 0.072 56.145 56.100 -0.045 0.000 1.082 400 R CB 0.277 30.554 30.300 -0.038 0.000 1.135 400 R HN 0.318 nan 8.270 nan 0.000 0.525 401 S N 0.292 115.954 115.700 -0.063 0.000 2.532 401 S HA 0.321 4.791 4.470 -0.000 0.000 0.301 401 S C 0.546 175.086 174.600 -0.099 0.000 1.083 401 S CA -0.979 57.172 58.200 -0.082 0.000 1.025 401 S CB 2.139 65.292 63.200 -0.079 0.000 1.056 401 S HN 0.023 nan 8.310 nan 0.000 0.494 402 K N 0.918 121.244 120.400 -0.124 0.000 2.361 402 K HA 0.131 4.451 4.320 -0.000 0.000 0.196 402 K C -0.535 175.939 176.600 -0.211 0.000 1.039 402 K CA 0.691 56.886 56.287 -0.153 0.000 1.001 402 K CB -0.167 32.245 32.500 -0.147 0.000 0.795 402 K HN 0.803 nan 8.250 nan 0.000 0.495 403 D N -0.807 119.458 120.400 -0.226 0.000 2.648 403 D HA 0.306 4.946 4.640 -0.000 0.000 0.244 403 D C -0.694 175.465 176.300 -0.235 0.000 1.244 403 D CA -0.590 53.237 54.000 -0.289 0.000 0.772 403 D CB 0.686 41.166 40.800 -0.534 0.000 1.379 403 D HN -0.182 nan 8.370 nan 0.000 0.428 404 I N 0.174 120.623 120.570 -0.201 0.000 2.392 404 I HA 0.474 4.644 4.170 -0.000 0.000 0.295 404 I C -0.478 175.497 176.117 -0.237 0.000 0.985 404 I CA -0.907 60.290 61.300 -0.172 0.000 1.221 404 I CB 1.213 39.166 38.000 -0.079 0.000 1.366 404 I HN 0.172 nan 8.210 nan 0.000 0.467 405 L N 6.725 127.805 121.223 -0.238 0.000 2.370 405 L HA 0.654 4.994 4.340 -0.000 0.000 0.266 405 L C -0.784 176.025 176.870 -0.101 0.000 1.002 405 L CA -0.666 54.064 54.840 -0.183 0.000 0.818 405 L CB 2.843 44.770 42.059 -0.219 0.000 1.325 405 L HN 0.527 nan 8.230 nan 0.000 0.418 406 I N 2.550 123.089 120.570 -0.052 0.000 2.722 406 I HA 0.538 4.708 4.170 -0.000 0.000 0.295 406 I C -1.278 174.697 176.117 -0.238 0.000 1.161 406 I CA -0.417 60.783 61.300 -0.166 0.000 1.032 406 I CB 1.993 39.818 38.000 -0.292 0.000 1.244 406 I HN 0.757 nan 8.210 nan 0.000 0.421 407 R N 5.038 125.277 120.500 -0.436 0.000 2.774 407 R HA 0.852 5.192 4.340 -0.000 0.000 0.272 407 R C -1.328 174.696 176.300 -0.460 0.000 1.000 407 R CA -0.884 54.930 56.100 -0.478 0.000 0.906 407 R CB 1.926 31.713 30.300 -0.855 0.000 1.227 407 R HN 0.617 nan 8.270 nan 0.000 0.468 408 G N 1.204 109.817 108.800 -0.311 0.000 2.498 408 G HA2 0.618 4.578 3.960 -0.000 0.000 0.312 408 G HA3 0.618 4.578 3.960 -0.000 0.000 0.312 408 G C -1.384 173.403 174.900 -0.188 0.000 1.230 408 G CA -1.031 43.910 45.100 -0.265 0.000 0.968 408 G HN 0.584 nan 8.290 nan 0.000 0.481 409 M N 1.809 121.315 119.600 -0.157 0.000 2.327 409 M HA 0.347 4.827 4.480 -0.000 0.000 0.298 409 M C -1.235 175.032 176.300 -0.055 0.000 1.065 409 M CA -0.867 54.371 55.300 -0.103 0.000 0.916 409 M CB 2.150 34.673 32.600 -0.128 0.000 1.630 409 M HN 0.710 nan 8.290 nan 0.000 0.442 410 D N 2.980 123.363 120.400 -0.028 0.000 2.451 410 D HA 0.117 4.757 4.640 -0.000 0.000 0.259 410 D C 0.115 176.410 176.300 -0.009 0.000 1.201 410 D CA -0.143 53.855 54.000 -0.003 0.000 1.028 410 D CB 0.448 41.253 40.800 0.009 0.000 1.095 410 D HN 0.705 nan 8.370 nan 0.000 0.539 411 E N -1.169 119.029 120.200 -0.003 0.000 2.515 411 E HA -0.052 4.298 4.350 -0.000 0.000 0.201 411 E C 1.015 177.606 176.600 -0.014 0.000 1.071 411 E CA 0.246 56.639 56.400 -0.011 0.000 0.880 411 E CB -0.022 29.669 29.700 -0.016 0.000 0.828 411 E HN 0.311 nan 8.360 nan 0.000 0.540 412 R N 0.314 120.807 120.500 -0.012 0.000 2.359 412 R HA 0.135 4.475 4.340 -0.000 0.000 0.231 412 R C 0.008 176.302 176.300 -0.011 0.000 0.913 412 R CA -0.117 55.976 56.100 -0.011 0.000 1.075 412 R CB 0.333 30.629 30.300 -0.007 0.000 1.087 412 R HN 0.064 nan 8.270 nan 0.000 0.515 413 M N -0.271 119.320 119.600 -0.016 0.000 2.461 413 M HA -0.196 4.284 4.480 -0.000 0.000 0.203 413 M C -0.839 175.450 176.300 -0.018 0.000 0.428 413 M CA 1.201 56.488 55.300 -0.022 0.000 0.509 413 M CB -1.729 30.859 32.600 -0.020 0.000 1.851 413 M HN 0.108 nan 8.290 nan 0.000 0.834 414 M N -0.053 119.539 119.600 -0.013 0.000 2.149 414 M HA 0.607 5.087 4.480 -0.000 0.000 0.342 414 M C -0.088 176.206 176.300 -0.010 0.000 1.068 414 M CA -0.499 54.799 55.300 -0.004 0.000 0.991 414 M CB 1.725 34.328 32.600 0.005 0.000 1.596 414 M HN 0.108 nan 8.290 nan 0.000 0.439 415 V N 4.583 124.495 119.914 -0.002 0.000 2.769 415 V HA 0.388 4.508 4.120 -0.000 0.000 0.312 415 V C -0.142 175.990 176.094 0.063 0.000 1.058 415 V CA -0.595 61.701 62.300 -0.007 0.000 0.952 415 V CB 2.258 34.063 31.823 -0.031 0.000 1.019 415 V HN 0.857 nan 8.190 nan 0.000 0.445 416 Q N 5.488 125.346 119.800 0.096 0.000 2.392 416 Q HA 0.279 4.619 4.340 -0.000 0.000 0.262 416 Q C -2.318 173.891 176.000 0.348 0.000 1.003 416 Q CA -1.287 54.641 55.803 0.209 0.000 0.888 416 Q CB 0.661 29.555 28.738 0.259 0.000 1.260 416 Q HN 0.545 nan 8.270 nan 0.000 0.435 417 P HA 0.086 nan 4.420 nan 0.000 0.282 417 P C -0.237 176.825 177.300 -0.397 0.000 1.249 417 P CA -0.296 62.836 63.100 0.053 0.000 0.806 417 P CB 1.078 32.817 31.700 0.064 0.000 0.984 418 R N 2.048 122.067 120.500 -0.801 0.000 2.083 418 R HA -0.042 4.298 4.340 -0.000 0.000 0.237 418 R C 0.226 176.295 176.300 -0.386 0.000 1.137 418 R CA 1.869 57.204 56.100 -1.275 0.000 0.951 418 R CB -1.471 28.268 30.300 -0.935 0.000 0.851 418 R HN 0.468 nan 8.270 nan 0.000 0.434 419 T N 1.114 115.580 114.554 -0.146 0.000 2.889 419 T HA 0.241 4.591 4.350 -0.000 0.000 0.291 419 T C 0.191 174.963 174.700 0.119 0.000 0.995 419 T CA -0.504 61.599 62.100 0.004 0.000 1.092 419 T CB 1.039 69.885 68.868 -0.035 0.000 0.954 419 T HN 0.203 nan 8.240 nan 0.000 0.506 420 M N 3.198 122.799 119.600 0.001 0.000 2.217 420 M HA 0.230 4.710 4.480 -0.000 0.000 0.354 420 M C -1.044 175.199 176.300 -0.095 0.000 1.225 420 M CA -0.439 54.715 55.300 -0.243 0.000 1.137 420 M CB 0.316 32.442 32.600 -0.789 0.000 1.576 420 M HN 0.740 nan 8.290 nan 0.000 0.461 421 Y N 5.436 125.658 120.300 -0.131 0.000 2.802 421 Y HA 0.194 4.744 4.550 -0.000 0.000 0.330 421 Y C -1.090 174.743 175.900 -0.112 0.000 1.193 421 Y CA -0.515 57.530 58.100 -0.092 0.000 1.427 421 Y CB 0.134 38.549 38.460 -0.075 0.000 1.357 421 Y HN 0.738 nan 8.280 nan 0.000 0.501 422 W N 7.114 128.170 121.300 -0.406 0.000 2.251 422 W HA 0.207 4.867 4.660 -0.000 0.000 0.327 422 W C -0.601 175.718 176.519 -0.333 0.000 1.361 422 W CA 0.339 57.490 57.345 -0.323 0.000 1.234 422 W CB 0.283 29.559 29.460 -0.308 0.000 1.212 422 W HN 0.703 nan 8.180 nan 0.000 0.557 423 N N 2.184 120.320 118.700 -0.939 0.000 2.494 423 N HA 0.368 5.108 4.740 -0.000 0.000 0.270 423 N C -0.281 174.495 175.510 -1.222 0.000 1.285 423 N CA -0.933 51.661 53.050 -0.759 0.000 0.812 423 N CB 1.529 39.821 38.487 -0.325 0.000 1.557 423 N HN 0.153 nan 8.380 nan 0.000 0.487 424 V N 0.018 119.527 119.914 -0.676 0.000 2.231 424 V HA -0.333 3.786 4.120 -0.000 0.000 0.250 424 V C 2.389 178.286 176.094 -0.328 0.000 1.058 424 V CA 2.813 64.875 62.300 -0.397 0.000 1.022 424 V CB -1.134 30.599 31.823 -0.149 0.000 0.640 424 V HN 1.011 nan 8.190 nan 0.000 0.445 425 T N -3.137 111.294 114.554 -0.206 0.000 3.160 425 T HA 0.001 4.351 4.350 -0.000 0.000 0.257 425 T C 0.831 175.400 174.700 -0.219 0.000 1.147 425 T CA 0.722 62.763 62.100 -0.099 0.000 1.064 425 T CB -0.164 68.730 68.868 0.044 0.000 0.949 425 T HN 0.471 nan 8.240 nan 0.000 0.526 426 S N 0.817 116.266 115.700 -0.419 0.000 3.628 426 S HA -0.148 4.322 4.470 -0.000 0.000 0.373 426 S C -0.048 174.413 174.600 -0.232 0.000 0.968 426 S CA 0.415 58.352 58.200 -0.437 0.000 1.215 426 S CB -2.054 60.902 63.200 -0.407 0.000 0.912 426 S HN 0.720 nan 8.310 nan 0.000 0.495 427 M N 0.179 119.666 119.600 -0.189 0.000 2.528 427 M HA 0.538 5.018 4.480 -0.000 0.000 0.318 427 M C 0.707 176.957 176.300 -0.083 0.000 1.195 427 M CA -0.742 54.485 55.300 -0.122 0.000 1.000 427 M CB 0.801 33.343 32.600 -0.095 0.000 1.615 427 M HN 0.098 nan 8.290 nan 0.000 0.469 428 L N 1.141 122.332 121.223 -0.054 0.000 4.001 428 L HA -0.268 4.072 4.340 -0.000 0.000 0.413 428 L C 0.270 177.161 176.870 0.034 0.000 1.185 428 L CA 0.619 55.458 54.840 -0.002 0.000 0.963 428 L CB -2.170 39.883 42.059 -0.011 0.000 1.976 428 L HN 0.846 nan 8.230 nan 0.000 0.939 429 N N 1.338 120.061 118.700 0.038 0.000 2.399 429 N HA -0.044 4.696 4.740 -0.000 0.000 0.284 429 N C 0.968 176.618 175.510 0.234 0.000 1.283 429 N CA 0.746 53.850 53.050 0.089 0.000 0.972 429 N CB 0.213 38.729 38.487 0.047 0.000 1.328 429 N HN 0.549 nan 8.380 nan 0.000 0.486 430 N N 4.666 123.519 118.700 0.255 0.000 2.235 430 N HA -0.036 4.704 4.740 -0.000 0.000 0.231 430 N C 0.230 175.972 175.510 0.386 0.000 1.177 430 N CA -0.651 52.565 53.050 0.277 0.000 0.874 430 N CB -0.256 38.321 38.487 0.149 0.000 1.097 430 N HN 0.387 nan 8.380 nan 0.000 0.518 431 W N 1.224 122.603 121.300 0.132 0.000 2.187 431 W HA 0.220 4.880 4.660 -0.000 0.000 0.348 431 W C -0.189 176.500 176.519 0.285 0.000 1.282 431 W CA -1.312 56.106 57.345 0.121 0.000 1.271 431 W CB -0.434 29.070 29.460 0.074 0.000 1.170 431 W HN -0.035 nan 8.180 nan 0.000 0.583 432 W N 2.929 124.233 121.300 0.006 0.000 2.435 432 W HA -0.015 4.645 4.660 -0.000 0.000 0.337 432 W C 0.016 176.333 176.519 -0.337 0.000 1.300 432 W CA -1.033 56.249 57.345 -0.104 0.000 1.298 432 W CB -1.549 27.932 29.460 0.034 0.000 1.217 432 W HN 0.381 nan 8.180 nan 0.000 0.565 433 Y N 4.046 124.317 120.300 -0.047 0.000 2.465 433 Y HA 0.180 4.730 4.550 -0.000 0.000 0.331 433 Y C 0.621 176.452 175.900 -0.116 0.000 1.102 433 Y CA 0.001 58.042 58.100 -0.098 0.000 1.358 433 Y CB 0.369 38.803 38.460 -0.044 0.000 1.213 433 Y HN 0.402 nan 8.280 nan 0.000 0.525 434 R N 5.153 125.438 120.500 -0.358 0.000 2.480 434 R HA 0.653 4.993 4.340 -0.000 0.000 0.306 434 R C -2.223 173.945 176.300 -0.220 0.000 0.958 434 R CA -0.683 55.207 56.100 -0.349 0.000 0.861 434 R CB 1.238 31.155 30.300 -0.638 0.000 1.171 434 R HN 0.576 nan 8.270 nan 0.000 0.445 435 V N 3.978 123.756 119.914 -0.227 0.000 2.384 435 V HA 0.524 4.643 4.120 -0.000 0.000 0.287 435 V C 0.053 176.071 176.094 -0.128 0.000 1.020 435 V CA -0.727 61.511 62.300 -0.103 0.000 0.850 435 V CB 1.390 33.145 31.823 -0.113 0.000 0.987 435 V HN 0.962 nan 8.190 nan 0.000 0.436 436 A N 6.103 128.871 122.820 -0.087 0.000 2.354 436 A HA 0.766 5.086 4.320 -0.000 0.000 0.269 436 A C -0.406 177.163 177.584 -0.025 0.000 1.109 436 A CA -0.290 51.624 52.037 -0.204 0.000 0.800 436 A CB 0.248 19.111 19.000 -0.229 0.000 1.045 436 A HN 0.784 nan 8.150 nan 0.000 0.489 437 I N 3.395 123.905 120.570 -0.100 0.000 2.330 437 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 437 I C -0.718 175.273 176.117 -0.211 0.000 1.001 437 I CA -0.266 60.931 61.300 -0.172 0.000 1.193 437 I CB 1.096 39.025 38.000 -0.119 0.000 1.345 437 I HN 0.393 nan 8.210 nan 0.000 0.461 438 I N 6.081 126.493 120.570 -0.263 0.000 2.339 438 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 438 I C 0.208 176.200 176.117 -0.207 0.000 0.994 438 I CA -0.828 60.363 61.300 -0.181 0.000 1.191 438 I CB 1.186 39.114 38.000 -0.120 0.000 1.343 438 I HN 0.525 nan 8.210 nan 0.000 0.458 439 R N 5.274 125.683 120.500 -0.151 0.000 2.347 439 R HA 0.272 4.612 4.340 -0.000 0.000 0.304 439 R C -0.621 175.617 176.300 -0.103 0.000 1.072 439 R CA 0.299 56.320 56.100 -0.132 0.000 0.980 439 R CB 0.304 30.545 30.300 -0.098 0.000 0.986 439 R HN 0.583 nan 8.270 nan 0.000 0.448 440 E N 3.625 123.764 120.200 -0.101 0.000 2.580 440 E HA 0.277 4.627 4.350 -0.000 0.000 0.248 440 E C 0.299 176.863 176.600 -0.059 0.000 1.018 440 E CA -0.060 56.297 56.400 -0.072 0.000 0.775 440 E CB 1.288 30.946 29.700 -0.070 0.000 1.378 440 E HN 0.940 nan 8.360 nan 0.000 0.401 441 G N 3.031 111.802 108.800 -0.048 0.000 2.672 441 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.332 441 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.332 441 G C 0.743 175.618 174.900 -0.043 0.000 1.213 441 G CA 0.447 45.524 45.100 -0.038 0.000 0.980 441 G HN 0.535 nan 8.290 nan 0.000 0.548 442 E N 1.461 121.639 120.200 -0.037 0.000 2.463 442 E HA 0.340 4.690 4.350 -0.000 0.000 0.193 442 E C 0.852 177.426 176.600 -0.043 0.000 1.041 442 E CA 0.616 56.996 56.400 -0.034 0.000 0.879 442 E CB 0.603 30.289 29.700 -0.022 0.000 0.997 442 E HN 0.294 nan 8.360 nan 0.000 0.478 443 S N -0.069 115.596 115.700 -0.059 0.000 2.726 443 S HA 0.644 5.114 4.470 -0.000 0.000 0.308 443 S C -0.181 174.336 174.600 -0.137 0.000 1.115 443 S CA -0.657 57.495 58.200 -0.079 0.000 0.965 443 S CB 1.508 64.670 63.200 -0.064 0.000 1.145 443 S HN 0.022 nan 8.310 nan 0.000 0.532 444 L N 1.378 122.478 121.223 -0.203 0.000 2.362 444 L HA 0.607 4.947 4.340 -0.000 0.000 0.275 444 L C -0.180 176.389 176.870 -0.501 0.000 0.998 444 L CA -0.555 54.041 54.840 -0.406 0.000 0.820 444 L CB 1.830 43.558 42.059 -0.551 0.000 1.270 444 L HN 0.464 nan 8.230 nan 0.000 0.415 445 R N 1.847 122.047 120.500 -0.500 0.000 2.664 445 R HA 0.676 5.016 4.340 -0.000 0.000 0.286 445 R C -1.628 174.350 176.300 -0.538 0.000 0.967 445 R CA -0.452 55.422 56.100 -0.376 0.000 0.933 445 R CB 1.460 31.672 30.300 -0.148 0.000 1.146 445 R HN 0.365 nan 8.270 nan 0.000 0.468 446 F N 1.521 121.474 119.950 0.006 0.000 2.507 446 F HA 0.363 4.890 4.527 -0.000 0.000 0.325 446 F C -0.112 175.761 175.800 0.123 0.000 1.116 446 F CA -0.636 57.390 58.000 0.043 0.000 0.930 446 F CB 2.189 41.213 39.000 0.041 0.000 1.146 446 F HN 0.318 nan 8.300 nan 0.000 0.447 447 E N 2.004 122.410 120.200 0.343 0.000 2.199 447 E HA 0.304 4.654 4.350 -0.000 0.000 0.265 447 E C -1.090 175.797 176.600 0.479 0.000 0.882 447 E CA -0.929 55.684 56.400 0.354 0.000 0.759 447 E CB 1.619 31.497 29.700 0.296 0.000 1.148 447 E HN 0.517 nan 8.360 nan 0.000 0.412 448 H N 2.127 121.332 119.070 0.225 0.000 2.581 448 H HA 0.076 4.632 4.556 -0.000 0.000 0.369 448 H C -1.497 173.832 175.328 0.002 0.000 1.351 448 H CA -1.786 54.365 56.048 0.172 0.000 1.434 448 H CB 0.109 29.979 29.762 0.180 0.000 1.558 448 H HN 0.341 nan 8.280 nan 0.000 0.608 449 P HA -0.108 nan 4.420 nan 0.000 0.215 449 P C -0.444 176.563 177.300 -0.488 0.000 1.157 449 P CA 1.812 64.446 63.100 -0.776 0.000 0.863 449 P CB 0.416 31.802 31.700 -0.525 0.000 0.787 450 V N -6.455 113.377 119.914 -0.137 0.000 3.178 450 V HA 0.506 4.626 4.120 -0.000 0.000 0.302 450 V C -0.742 175.393 176.094 0.070 0.000 1.262 450 V CA -1.283 60.991 62.300 -0.042 0.000 1.030 450 V CB 2.106 33.915 31.823 -0.023 0.000 1.074 450 V HN -0.352 nan 8.190 nan 0.000 0.438 451 V N 2.187 122.137 119.914 0.060 0.000 2.481 451 V HA 0.626 4.745 4.120 -0.000 0.000 0.286 451 V C 1.724 177.867 176.094 0.083 0.000 1.042 451 V CA 0.455 62.802 62.300 0.078 0.000 0.928 451 V CB 1.065 32.922 31.823 0.056 0.000 0.986 451 V HN 1.402 nan 8.190 nan 0.000 0.462 452 A N 4.263 127.146 122.820 0.105 0.000 1.903 452 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 452 A C 1.563 179.183 177.584 0.060 0.000 1.191 452 A CA 2.498 54.598 52.037 0.105 0.000 0.638 452 A CB -0.398 18.674 19.000 0.120 0.000 0.823 452 A HN 0.991 nan 8.150 nan 0.000 0.451 453 N N -2.740 115.987 118.700 0.044 0.000 2.143 453 N HA 0.131 4.871 4.740 -0.000 0.000 0.222 453 N C -0.255 175.271 175.510 0.026 0.000 1.264 453 N CA -0.066 52.997 53.050 0.023 0.000 0.897 453 N CB 0.618 39.110 38.487 0.008 0.000 1.092 453 N HN 0.182 nan 8.380 nan 0.000 0.516 454 K N 0.819 121.239 120.400 0.033 0.000 2.466 454 K HA 0.554 4.874 4.320 -0.000 0.000 0.260 454 K C -2.657 173.961 176.600 0.030 0.000 1.011 454 K CA -1.537 54.768 56.287 0.030 0.000 0.871 454 K CB 2.358 34.877 32.500 0.032 0.000 1.404 454 K HN -0.066 nan 8.250 nan 0.000 0.450 455 P HA 0.161 nan 4.420 nan 0.000 0.282 455 P C 0.278 177.596 177.300 0.031 0.000 1.286 455 P CA 0.182 63.297 63.100 0.026 0.000 0.777 455 P CB 0.491 32.206 31.700 0.026 0.000 1.184 456 G N -3.136 105.684 108.800 0.033 0.000 2.234 456 G HA2 0.034 3.994 3.960 -0.000 0.000 0.153 456 G HA3 0.034 3.994 3.960 -0.000 0.000 0.153 456 G C 0.256 175.190 174.900 0.057 0.000 1.013 456 G CA -0.117 45.009 45.100 0.044 0.000 0.712 456 G HN 0.870 nan 8.290 nan 0.000 0.491 457 G N -0.661 108.162 108.800 0.037 0.000 2.597 457 G HA2 0.530 4.490 3.960 -0.000 0.000 0.317 457 G HA3 0.530 4.490 3.960 -0.000 0.000 0.317 457 G C 1.056 175.993 174.900 0.063 0.000 1.230 457 G CA -0.183 44.935 45.100 0.030 0.000 0.996 457 G HN 0.669 nan 8.290 nan 0.000 0.490 458 W N -0.322 121.015 121.300 0.063 0.000 2.392 458 W HA -0.077 4.583 4.660 -0.000 0.000 0.279 458 W C 1.465 178.023 176.519 0.064 0.000 1.225 458 W CA 0.714 58.087 57.345 0.046 0.000 1.233 458 W CB -0.430 29.040 29.460 0.016 0.000 1.122 458 W HN 0.307 nan 8.180 nan 0.000 0.561 459 M N 1.187 120.529 119.600 -0.432 0.000 2.175 459 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 459 M C 1.799 178.064 176.300 -0.057 0.000 1.063 459 M CA 1.852 56.934 55.300 -0.363 0.000 1.119 459 M CB -0.727 31.534 32.600 -0.565 0.000 1.377 459 M HN -0.096 nan 8.290 nan 0.000 0.415 460 D N 0.114 120.490 120.400 -0.040 0.000 2.104 460 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 460 D C 1.959 178.293 176.300 0.057 0.000 0.994 460 D CA 1.347 55.357 54.000 0.016 0.000 0.830 460 D CB -0.385 40.426 40.800 0.019 0.000 0.959 460 D HN 0.364 nan 8.370 nan 0.000 0.452 461 R N 0.934 121.489 120.500 0.092 0.000 2.083 461 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 461 R C 2.373 178.749 176.300 0.126 0.000 1.137 461 R CA 1.111 57.278 56.100 0.111 0.000 0.951 461 R CB -0.326 30.060 30.300 0.144 0.000 0.851 461 R HN -0.021 nan 8.270 nan 0.000 0.434 462 V N 1.369 121.395 119.914 0.186 0.000 2.515 462 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 462 V C 2.132 178.305 176.094 0.131 0.000 1.058 462 V CA 1.572 63.994 62.300 0.203 0.000 1.064 462 V CB -0.304 31.732 31.823 0.355 0.000 0.675 462 V HN 0.290 nan 8.190 nan 0.000 0.461 463 K N 0.312 120.770 120.400 0.097 0.000 2.148 463 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 463 K C 2.208 178.838 176.600 0.051 0.000 1.050 463 K CA 1.415 57.739 56.287 0.062 0.000 0.942 463 K CB -0.692 31.832 32.500 0.041 0.000 0.724 463 K HN 0.477 nan 8.250 nan 0.000 0.446 464 A N 1.483 124.335 122.820 0.054 0.000 1.897 464 A HA -0.137 4.182 4.320 -0.000 0.000 0.215 464 A C 1.960 179.570 177.584 0.044 0.000 1.181 464 A CA 1.268 53.331 52.037 0.043 0.000 0.620 464 A CB -0.319 18.707 19.000 0.043 0.000 0.821 464 A HN 0.366 nan 8.150 nan 0.000 0.443 465 E N -1.484 118.750 120.200 0.056 0.000 2.268 465 E HA 0.131 4.481 4.350 -0.000 0.000 0.195 465 E C 1.208 177.835 176.600 0.045 0.000 0.995 465 E CA 0.473 56.904 56.400 0.051 0.000 0.836 465 E CB -0.182 29.557 29.700 0.064 0.000 0.763 465 E HN 0.786 nan 8.360 nan 0.000 0.491 466 G N 0.872 109.700 108.800 0.048 0.000 2.131 466 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.223 466 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.223 466 G C 0.401 175.327 174.900 0.043 0.000 0.990 466 G CA -0.293 44.828 45.100 0.037 0.000 0.671 466 G HN 0.488 nan 8.290 nan 0.000 0.521 467 G N -0.260 108.582 108.800 0.069 0.000 2.491 467 G HA2 0.420 4.380 3.960 -0.000 0.000 0.242 467 G HA3 0.420 4.380 3.960 -0.000 0.000 0.242 467 G C -0.215 174.730 174.900 0.076 0.000 1.266 467 G CA 0.401 45.550 45.100 0.081 0.000 0.844 467 G HN 0.278 nan 8.290 nan 0.000 0.571 468 D N 1.916 122.350 120.400 0.056 0.000 2.374 468 D HA 0.107 4.747 4.640 -0.000 0.000 0.240 468 D C 1.588 177.938 176.300 0.084 0.000 1.229 468 D CA -0.436 53.587 54.000 0.038 0.000 0.895 468 D CB 0.434 41.233 40.800 -0.002 0.000 1.046 468 D HN 0.234 nan 8.370 nan 0.000 0.498 469 I N 3.100 123.747 120.570 0.129 0.000 2.454 469 I HA -0.243 3.927 4.170 -0.000 0.000 0.254 469 I C 1.834 178.069 176.117 0.196 0.000 1.156 469 I CA 0.708 62.162 61.300 0.257 0.000 1.433 469 I CB 0.073 38.240 38.000 0.278 0.000 1.082 469 I HN 0.448 nan 8.210 nan 0.000 0.432 470 L N 0.804 122.051 121.223 0.039 0.000 2.627 470 L HA -0.018 4.322 4.340 -0.000 0.000 0.233 470 L C 0.774 177.600 176.870 -0.075 0.000 1.144 470 L CA -0.305 54.511 54.840 -0.041 0.000 0.892 470 L CB -1.013 40.980 42.059 -0.110 0.000 1.039 470 L HN 0.343 nan 8.230 nan 0.000 0.442 471 D N -1.683 118.683 120.400 -0.056 0.000 2.433 471 D HA -0.052 4.588 4.640 -0.000 0.000 0.255 471 D C 0.755 176.933 176.300 -0.203 0.000 1.226 471 D CA -0.439 53.502 54.000 -0.098 0.000 1.015 471 D CB 0.463 41.231 40.800 -0.054 0.000 1.091 471 D HN -0.221 nan 8.370 nan 0.000 0.527 472 N N -0.774 117.799 118.700 -0.211 0.000 2.550 472 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 472 N C 0.158 175.420 175.510 -0.413 0.000 1.110 472 N CA 0.405 53.257 53.050 -0.331 0.000 0.912 472 N CB -0.456 37.912 38.487 -0.199 0.000 0.968 472 N HN 0.436 nan 8.380 nan 0.000 0.448 473 N N -0.255 118.321 118.700 -0.207 0.000 2.401 473 N HA 0.024 4.764 4.740 -0.000 0.000 0.264 473 N C -0.633 175.046 175.510 0.281 0.000 1.238 473 N CA -0.376 52.699 53.050 0.043 0.000 0.889 473 N CB -0.111 38.432 38.487 0.094 0.000 1.196 473 N HN 0.094 nan 8.380 nan 0.000 0.511 474 W N -0.138 121.175 121.300 0.022 0.000 5.271 474 W HA -0.257 4.403 4.660 -0.000 0.000 0.364 474 W C 1.201 177.803 176.519 0.138 0.000 1.342 474 W CA 0.713 58.111 57.345 0.088 0.000 0.899 474 W CB -1.978 27.367 29.460 -0.191 0.000 2.450 474 W HN 0.476 nan 8.180 nan 0.000 1.508 475 G N -0.857 108.088 108.800 0.241 0.000 2.184 475 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.264 475 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.264 475 G C 0.386 175.385 174.900 0.164 0.000 0.975 475 G CA 0.792 46.015 45.100 0.206 0.000 0.642 475 G HN 0.369 nan 8.290 nan 0.000 0.536 476 E N -0.321 119.963 120.200 0.140 0.000 2.280 476 E HA 0.519 4.869 4.350 -0.000 0.000 0.264 476 E C 0.263 176.898 176.600 0.057 0.000 1.064 476 E CA -0.676 55.772 56.400 0.081 0.000 0.900 476 E CB 1.958 31.670 29.700 0.020 0.000 1.123 476 E HN 0.110 nan 8.360 nan 0.000 0.418 477 V N 2.177 122.113 119.914 0.036 0.000 2.546 477 V HA 0.075 4.195 4.120 -0.000 0.000 0.284 477 V C -0.043 176.059 176.094 0.014 0.000 1.050 477 V CA -0.228 62.086 62.300 0.024 0.000 0.981 477 V CB 1.106 32.940 31.823 0.018 0.000 0.990 477 V HN 0.672 nan 8.190 nan 0.000 0.474 478 D N 0.000 120.407 120.400 0.012 0.000 6.856 478 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 478 D CA 0.000 54.003 54.000 0.005 0.000 0.868 478 D CB 0.000 40.806 40.800 0.010 0.000 0.688 478 D HN 0.000 nan 8.370 nan 0.000 0.683