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 3a8i_1_D DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDDLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AVA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.466 177.584 -0.197 0.000 1.274 1 A CA 0.000 51.962 52.037 -0.126 0.000 0.836 1 A CB 0.000 18.976 19.000 -0.041 0.000 0.831 2 Q N 1.701 121.294 119.800 -0.346 0.000 2.204 2 Q HA 0.758 5.098 4.340 -0.001 0.000 0.254 2 Q C -0.680 175.177 176.000 -0.237 0.000 0.981 2 Q CA -0.871 54.700 55.803 -0.386 0.000 0.897 2 Q CB 1.219 29.578 28.738 -0.632 0.000 1.273 2 Q HN 0.718 nan 8.270 nan 0.000 0.464 3 Q N 0.725 120.444 119.800 -0.136 0.000 2.301 3 Q HA 0.379 4.718 4.340 -0.001 0.000 0.267 3 Q C -0.360 175.796 176.000 0.259 0.000 1.035 3 Q CA -0.781 55.065 55.803 0.071 0.000 0.856 3 Q CB 1.966 30.619 28.738 -0.141 0.000 1.337 3 Q HN 0.828 nan 8.270 nan 0.000 0.450 4 T N -2.466 112.350 114.554 0.436 0.000 2.788 4 T HA 0.236 4.585 4.350 -0.001 0.000 0.280 4 T C -1.908 172.934 174.700 0.237 0.000 0.984 4 T CA -1.571 60.772 62.100 0.404 0.000 0.972 4 T CB 0.439 69.534 68.868 0.378 0.000 1.039 4 T HN 0.277 nan 8.240 nan 0.000 0.530 5 P HA 0.196 nan 4.420 nan 0.000 0.239 5 P C 0.832 178.147 177.300 0.024 0.000 1.184 5 P CA 0.503 63.662 63.100 0.098 0.000 0.760 5 P CB -0.123 31.632 31.700 0.091 0.000 0.884 6 L N -3.118 118.081 121.223 -0.039 0.000 2.607 6 L HA 0.088 4.428 4.340 -0.001 0.000 0.228 6 L C 1.996 178.587 176.870 -0.464 0.000 1.123 6 L CA -0.055 54.557 54.840 -0.380 0.000 0.890 6 L CB -0.553 41.078 42.059 -0.713 0.000 1.103 6 L HN -0.050 nan 8.230 nan 0.000 0.468 7 Y N 1.584 121.799 120.300 -0.142 0.000 2.114 7 Y HA -0.365 4.184 4.550 -0.001 0.000 0.282 7 Y C 2.558 178.417 175.900 -0.068 0.000 1.165 7 Y CA 2.364 60.466 58.100 0.003 0.000 1.148 7 Y CB 0.114 38.606 38.460 0.053 0.000 0.972 7 Y HN 0.310 nan 8.280 nan 0.000 0.504 8 E N -0.682 119.542 120.200 0.039 0.000 2.047 8 E HA -0.255 4.095 4.350 -0.001 0.000 0.191 8 E C 2.098 178.620 176.600 -0.130 0.000 0.987 8 E CA 1.275 57.671 56.400 -0.007 0.000 0.799 8 E CB -0.120 29.616 29.700 0.060 0.000 0.752 8 E HN 0.489 nan 8.360 nan 0.000 0.449 9 Q N 0.090 119.751 119.800 -0.232 0.000 2.152 9 Q HA -0.203 4.136 4.340 -0.001 0.000 0.206 9 Q C 2.101 177.970 176.000 -0.218 0.000 0.985 9 Q CA 1.385 57.023 55.803 -0.274 0.000 0.863 9 Q CB -0.554 27.851 28.738 -0.555 0.000 0.904 9 Q HN 0.556 nan 8.270 nan 0.000 0.422 10 H N 0.014 118.958 119.070 -0.211 0.000 2.321 10 H HA -0.080 4.476 4.556 -0.001 0.000 0.300 10 H C 2.372 177.654 175.328 -0.077 0.000 1.087 10 H CA 2.113 58.114 56.048 -0.077 0.000 1.319 10 H CB -0.757 28.850 29.762 -0.258 0.000 1.379 10 H HN 0.477 nan 8.280 nan 0.000 0.501 11 T N -0.059 114.418 114.554 -0.129 0.000 2.708 11 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 11 T C 2.321 177.024 174.700 0.005 0.000 1.037 11 T CA 1.292 63.326 62.100 -0.111 0.000 1.146 11 T CB -0.836 67.924 68.868 -0.180 0.000 0.865 11 T HN 0.203 nan 8.240 nan 0.000 0.435 12 L N 0.378 121.613 121.223 0.019 0.000 2.187 12 L HA -0.047 4.292 4.340 -0.001 0.000 0.213 12 L C 2.673 179.606 176.870 0.106 0.000 1.100 12 L CA 0.808 55.682 54.840 0.056 0.000 0.765 12 L CB -0.687 41.404 42.059 0.053 0.000 0.904 12 L HN 0.456 nan 8.230 nan 0.000 0.437 13 C N 0.015 119.425 119.300 0.184 0.000 2.697 13 C HA 0.338 4.798 4.460 -0.001 0.000 0.267 13 C C 1.672 176.861 174.990 0.331 0.000 1.278 13 C CA 0.302 59.476 59.018 0.260 0.000 1.708 13 C CB -1.045 26.906 27.740 0.352 0.000 1.860 13 C HN 0.811 nan 8.230 nan 0.000 0.589 14 G N 0.679 109.617 108.800 0.230 0.000 2.140 14 G HA2 0.035 3.995 3.960 -0.001 0.000 0.211 14 G HA3 0.035 3.995 3.960 -0.001 0.000 0.211 14 G C 0.050 174.997 174.900 0.079 0.000 1.013 14 G CA 0.070 45.262 45.100 0.154 0.000 0.705 14 G HN 0.853 nan 8.290 nan 0.000 0.508 15 A N 0.191 122.985 122.820 -0.044 0.000 2.407 15 A HA 0.689 5.009 4.320 -0.001 0.000 0.248 15 A C 0.775 178.147 177.584 -0.353 0.000 1.082 15 A CA -0.079 51.678 52.037 -0.466 0.000 0.785 15 A CB 0.364 18.977 19.000 -0.644 0.000 1.020 15 A HN 0.351 nan 8.150 nan 0.000 0.489 16 R N 2.542 122.751 120.500 -0.485 0.000 2.204 16 R HA 0.259 4.599 4.340 -0.001 0.000 0.341 16 R C -0.728 175.363 176.300 -0.349 0.000 1.035 16 R CA -0.317 55.549 56.100 -0.389 0.000 0.887 16 R CB 0.752 30.729 30.300 -0.539 0.000 1.114 16 R HN 0.656 nan 8.270 nan 0.000 0.473 17 M N 3.156 122.624 119.600 -0.219 0.000 2.216 17 M HA 0.282 4.762 4.480 -0.001 0.000 0.356 17 M C 0.406 176.665 176.300 -0.069 0.000 1.205 17 M CA -0.689 54.521 55.300 -0.150 0.000 1.122 17 M CB 1.246 33.811 32.600 -0.058 0.000 1.571 17 M HN 0.316 nan 8.290 nan 0.000 0.464 18 V N -0.807 119.086 119.914 -0.036 0.000 3.141 18 V HA 0.616 4.735 4.120 -0.001 0.000 0.312 18 V C -0.705 175.442 176.094 0.089 0.000 1.157 18 V CA -1.087 61.225 62.300 0.021 0.000 1.041 18 V CB 2.217 34.046 31.823 0.010 0.000 1.071 18 V HN 0.744 nan 8.190 nan 0.000 0.441 19 D N 1.428 121.890 120.400 0.103 0.000 2.365 19 D HA 0.263 4.903 4.640 -0.001 0.000 0.237 19 D C -1.297 175.113 176.300 0.184 0.000 1.190 19 D CA -0.118 53.964 54.000 0.136 0.000 0.867 19 D CB 0.755 41.608 40.800 0.088 0.000 1.050 19 D HN 0.540 nan 8.370 nan 0.000 0.491 20 F N 4.719 124.704 119.950 0.058 0.000 2.332 20 F HA 0.237 4.764 4.527 -0.001 0.000 0.368 20 F C 0.221 176.087 175.800 0.110 0.000 1.110 20 F CA -0.574 57.398 58.000 -0.047 0.000 1.087 20 F CB -0.116 38.852 39.000 -0.054 0.000 1.235 20 F HN 0.520 nan 8.300 nan 0.000 0.470 21 H N 3.462 122.463 119.070 -0.115 0.000 2.604 21 H HA -0.153 4.402 4.556 -0.001 0.000 0.321 21 H C 1.374 176.792 175.328 0.151 0.000 1.132 21 H CA 0.712 56.730 56.048 -0.051 0.000 1.129 21 H CB -1.169 28.475 29.762 -0.198 0.000 1.526 21 H HN 1.141 nan 8.280 nan 0.000 0.415 22 G N -1.879 107.027 108.800 0.177 0.000 2.148 22 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.254 22 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.254 22 G C -0.232 174.623 174.900 -0.076 0.000 0.981 22 G CA 0.291 45.415 45.100 0.039 0.000 0.670 22 G HN 0.517 nan 8.290 nan 0.000 0.528 23 W N -0.146 121.226 121.300 0.119 0.000 2.683 23 W HA 0.768 5.428 4.660 -0.001 0.000 0.329 23 W C 0.164 176.769 176.519 0.143 0.000 1.037 23 W CA -1.244 56.191 57.345 0.150 0.000 1.232 23 W CB 1.133 30.735 29.460 0.236 0.000 1.390 23 W HN -0.091 nan 8.180 nan 0.000 0.465 24 M N 5.405 125.192 119.600 0.312 0.000 2.220 24 M HA 0.253 4.733 4.480 -0.001 0.000 0.343 24 M C -0.456 176.015 176.300 0.284 0.000 1.470 24 M CA 0.259 55.724 55.300 0.275 0.000 1.161 24 M CB -0.424 32.352 32.600 0.294 0.000 1.737 24 M HN 0.267 nan 8.290 nan 0.000 0.464 25 M N 5.648 125.335 119.600 0.145 0.000 2.591 25 M HA 0.540 5.019 4.480 -0.001 0.000 0.306 25 M C -2.378 173.793 176.300 -0.216 0.000 1.190 25 M CA -2.422 52.853 55.300 -0.040 0.000 0.889 25 M CB 2.070 34.632 32.600 -0.064 0.000 1.728 25 M HN 0.176 nan 8.290 nan 0.000 0.458 26 P HA 0.112 nan 4.420 nan 0.000 0.276 26 P C 0.475 177.536 177.300 -0.397 0.000 1.253 26 P CA -0.242 62.517 63.100 -0.569 0.000 0.766 26 P CB 0.780 31.911 31.700 -0.949 0.000 0.845 27 L N 4.741 125.749 121.223 -0.358 0.000 2.131 27 L HA 0.050 4.390 4.340 -0.001 0.000 0.206 27 L C 0.722 177.534 176.870 -0.097 0.000 1.087 27 L CA 1.798 56.515 54.840 -0.204 0.000 0.767 27 L CB -0.686 41.281 42.059 -0.154 0.000 0.917 27 L HN 0.677 nan 8.230 nan 0.000 0.441 28 H N -5.855 113.096 119.070 -0.198 0.000 2.876 28 H HA 0.335 4.891 4.556 -0.001 0.000 0.284 28 H C -1.510 173.682 175.328 -0.226 0.000 1.445 28 H CA -0.951 55.043 56.048 -0.090 0.000 1.141 28 H CB -0.200 29.576 29.762 0.023 0.000 1.816 28 H HN -0.130 nan 8.280 nan 0.000 0.511 29 Y N 0.395 120.820 120.300 0.209 0.000 2.722 29 Y HA 0.531 5.080 4.550 -0.001 0.000 0.314 29 Y C 1.424 177.447 175.900 0.206 0.000 1.008 29 Y CA 0.176 58.352 58.100 0.126 0.000 1.294 29 Y CB 0.998 39.511 38.460 0.089 0.000 1.231 29 Y HN 1.194 nan 8.280 nan 0.000 0.558 30 G N -0.112 109.015 108.800 0.545 0.000 2.313 30 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.215 30 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.215 30 G C 0.202 175.172 174.900 0.117 0.000 1.023 30 G CA 0.059 45.331 45.100 0.285 0.000 0.626 30 G HN 0.469 nan 8.290 nan 0.000 0.503 31 S N 0.092 115.856 115.700 0.106 0.000 2.673 31 S HA 0.529 4.999 4.470 -0.001 0.000 0.256 31 S C 0.614 175.213 174.600 -0.001 0.000 1.141 31 S CA 0.780 58.966 58.200 -0.023 0.000 1.109 31 S CB 1.334 64.535 63.200 0.002 0.000 1.101 31 S HN 0.483 nan 8.310 nan 0.000 0.471 32 Q N 3.971 123.703 119.800 -0.113 0.000 2.135 32 Q HA -0.103 4.237 4.340 -0.001 0.000 0.204 32 Q C 1.423 177.469 176.000 0.076 0.000 0.981 32 Q CA 1.714 57.521 55.803 0.006 0.000 0.856 32 Q CB -0.025 28.675 28.738 -0.063 0.000 0.902 32 Q HN 0.837 nan 8.270 nan 0.000 0.425 33 I N 1.637 122.228 120.570 0.034 0.000 2.127 33 I HA -0.282 3.888 4.170 -0.001 0.000 0.241 33 I C 1.732 177.933 176.117 0.141 0.000 1.075 33 I CA 1.539 62.887 61.300 0.081 0.000 1.334 33 I CB -1.192 36.823 38.000 0.024 0.000 1.040 33 I HN 0.298 nan 8.210 nan 0.000 0.405 34 D N 0.595 121.048 120.400 0.088 0.000 2.144 34 D HA -0.181 4.458 4.640 -0.001 0.000 0.199 34 D C 2.075 178.453 176.300 0.130 0.000 0.984 34 D CA 1.014 55.078 54.000 0.107 0.000 0.834 34 D CB -0.196 40.633 40.800 0.048 0.000 0.955 34 D HN 0.471 nan 8.370 nan 0.000 0.465 35 E N -0.175 120.091 120.200 0.111 0.000 2.085 35 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 35 E C 2.135 178.791 176.600 0.093 0.000 0.994 35 E CA 0.805 57.248 56.400 0.072 0.000 0.801 35 E CB -0.159 29.610 29.700 0.116 0.000 0.743 35 E HN 0.431 nan 8.360 nan 0.000 0.453 36 H N 0.130 119.257 119.070 0.095 0.000 2.353 36 H HA -0.160 4.395 4.556 -0.001 0.000 0.300 36 H C 2.171 177.548 175.328 0.082 0.000 1.090 36 H CA 2.083 58.191 56.048 0.100 0.000 1.327 36 H CB -0.001 29.819 29.762 0.097 0.000 1.383 36 H HN 0.263 nan 8.280 nan 0.000 0.508 37 H N 0.390 119.496 119.070 0.059 0.000 2.353 37 H HA -0.021 4.534 4.556 -0.001 0.000 0.300 37 H C 2.226 177.511 175.328 -0.072 0.000 1.090 37 H CA 2.046 58.097 56.048 0.005 0.000 1.327 37 H CB -0.247 29.545 29.762 0.050 0.000 1.383 37 H HN 0.401 nan 8.280 nan 0.000 0.508 38 A N 0.014 122.788 122.820 -0.078 0.000 1.933 38 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 38 A C 2.624 180.089 177.584 -0.199 0.000 1.175 38 A CA 1.548 53.496 52.037 -0.148 0.000 0.628 38 A CB -0.824 18.119 19.000 -0.095 0.000 0.814 38 A HN 0.347 nan 8.150 nan 0.000 0.444 39 V N 0.154 119.962 119.914 -0.177 0.000 2.358 39 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 39 V C 2.629 178.610 176.094 -0.188 0.000 1.047 39 V CA 1.886 64.100 62.300 -0.143 0.000 1.035 39 V CB -0.743 31.064 31.823 -0.026 0.000 0.658 39 V HN 0.464 nan 8.190 nan 0.000 0.452 40 R N 0.470 120.801 120.500 -0.281 0.000 2.148 40 R HA -0.065 4.275 4.340 -0.001 0.000 0.227 40 R C 2.099 178.269 176.300 -0.217 0.000 1.103 40 R CA 1.784 57.743 56.100 -0.236 0.000 0.983 40 R CB -0.506 29.649 30.300 -0.242 0.000 0.874 40 R HN 0.729 nan 8.270 nan 0.000 0.451 41 T N -4.136 110.238 114.554 -0.299 0.000 3.016 41 T HA 0.122 4.471 4.350 -0.001 0.000 0.271 41 T C 0.489 175.059 174.700 -0.216 0.000 0.968 41 T CA -0.019 61.912 62.100 -0.281 0.000 0.891 41 T CB 0.621 69.223 68.868 -0.443 0.000 1.149 41 T HN 0.009 nan 8.240 nan 0.000 0.524 42 D N 1.490 121.767 120.400 -0.205 0.000 2.583 42 D HA 0.621 5.261 4.640 -0.001 0.000 0.123 42 D C -1.127 175.089 176.300 -0.141 0.000 1.382 42 D CA 0.700 54.610 54.000 -0.151 0.000 1.522 42 D CB 0.918 41.638 40.800 -0.135 0.000 1.976 42 D HN 0.479 nan 8.370 nan 0.000 0.191 43 A N -0.133 122.598 122.820 -0.148 0.000 2.512 43 A HA 0.672 4.991 4.320 -0.001 0.000 0.294 43 A C -0.419 177.055 177.584 -0.184 0.000 1.054 43 A CA -0.013 51.933 52.037 -0.152 0.000 0.756 43 A CB 1.349 20.255 19.000 -0.157 0.000 1.293 43 A HN 0.500 nan 8.150 nan 0.000 0.395 44 G N 1.009 109.696 108.800 -0.189 0.000 2.574 44 G HA2 0.820 4.779 3.960 -0.001 0.000 0.299 44 G HA3 0.820 4.779 3.960 -0.001 0.000 0.299 44 G C -0.596 174.100 174.900 -0.340 0.000 1.298 44 G CA -0.377 44.545 45.100 -0.297 0.000 0.952 44 G HN 1.533 nan 8.290 nan 0.000 0.477 45 M N -0.499 118.797 119.600 -0.508 0.000 2.593 45 M HA 0.850 5.329 4.480 -0.001 0.000 0.290 45 M C -2.015 174.063 176.300 -0.370 0.000 1.244 45 M CA -0.869 54.233 55.300 -0.329 0.000 0.857 45 M CB 2.583 35.004 32.600 -0.299 0.000 1.738 45 M HN 0.293 nan 8.290 nan 0.000 0.461 46 F N 0.055 120.155 119.950 0.250 0.000 2.547 46 F HA 0.358 4.885 4.527 -0.001 0.000 0.316 46 F C -0.363 175.683 175.800 0.411 0.000 1.121 46 F CA -0.672 57.524 58.000 0.325 0.000 0.911 46 F CB 1.518 40.644 39.000 0.210 0.000 1.179 46 F HN 0.645 nan 8.300 nan 0.000 0.443 47 D N 2.610 123.363 120.400 0.589 0.000 2.363 47 D HA 0.172 4.812 4.640 -0.001 0.000 0.263 47 D C 0.285 176.757 176.300 0.287 0.000 1.258 47 D CA 0.302 54.545 54.000 0.406 0.000 0.907 47 D CB 1.140 42.142 40.800 0.337 0.000 1.107 47 D HN 0.377 nan 8.370 nan 0.000 0.495 48 V N 1.341 121.449 119.914 0.323 0.000 2.915 48 V HA 0.231 4.351 4.120 -0.001 0.000 0.364 48 V C 1.025 177.315 176.094 0.327 0.000 1.354 48 V CA -0.448 62.088 62.300 0.392 0.000 1.213 48 V CB -0.015 32.001 31.823 0.322 0.000 1.268 48 V HN 0.328 nan 8.190 nan 0.000 0.557 49 S N 1.645 117.485 115.700 0.233 0.000 2.603 49 S HA -0.057 4.412 4.470 -0.001 0.000 0.229 49 S C 1.687 176.210 174.600 -0.129 0.000 0.972 49 S CA 1.083 59.348 58.200 0.108 0.000 0.935 49 S CB -0.568 62.726 63.200 0.157 0.000 0.769 49 S HN 1.005 nan 8.310 nan 0.000 0.536 50 H N 0.392 119.142 119.070 -0.534 0.000 2.535 50 H HA 0.278 4.833 4.556 -0.001 0.000 0.273 50 H C 0.559 175.453 175.328 -0.724 0.000 0.983 50 H CA -0.051 55.206 56.048 -1.319 0.000 1.238 50 H CB -0.487 28.590 29.762 -1.141 0.000 1.412 50 H HN 0.344 nan 8.280 nan 0.000 0.562 51 M N 1.372 120.563 119.600 -0.682 0.000 2.202 51 M HA 0.209 4.688 4.480 -0.001 0.000 0.316 51 M C -0.142 176.044 176.300 -0.190 0.000 1.138 51 M CA 0.130 55.153 55.300 -0.461 0.000 1.151 51 M CB 1.105 33.495 32.600 -0.350 0.000 1.422 51 M HN -0.047 nan 8.290 nan 0.000 0.471 52 T N 2.316 116.804 114.554 -0.110 0.000 2.797 52 T HA 0.609 4.958 4.350 -0.001 0.000 0.279 52 T C -0.390 174.308 174.700 -0.005 0.000 0.991 52 T CA -0.500 61.589 62.100 -0.019 0.000 0.979 52 T CB 0.617 69.495 68.868 0.017 0.000 0.943 52 T HN 0.384 nan 8.240 nan 0.000 0.444 53 I N 3.328 123.910 120.570 0.020 0.000 2.354 53 I HA 0.489 4.658 4.170 -0.001 0.000 0.292 53 I C -0.590 175.552 176.117 0.042 0.000 0.989 53 I CA -0.879 60.435 61.300 0.023 0.000 1.188 53 I CB 1.651 39.653 38.000 0.002 0.000 1.342 53 I HN 0.237 nan 8.210 nan 0.000 0.457 54 V N 4.923 124.871 119.914 0.058 0.000 2.487 54 V HA 0.389 4.508 4.120 -0.001 0.000 0.298 54 V C -0.820 175.349 176.094 0.126 0.000 1.028 54 V CA -0.706 61.646 62.300 0.087 0.000 0.860 54 V CB 1.921 33.800 31.823 0.093 0.000 0.991 54 V HN 0.561 nan 8.190 nan 0.000 0.427 55 D N 4.139 124.636 120.400 0.162 0.000 2.217 55 D HA 0.689 5.328 4.640 -0.001 0.000 0.243 55 D C -0.656 175.813 176.300 0.282 0.000 1.054 55 D CA -0.063 54.102 54.000 0.273 0.000 0.838 55 D CB 2.024 43.025 40.800 0.335 0.000 1.162 55 D HN 0.349 nan 8.370 nan 0.000 0.472 56 L N 2.664 124.113 121.223 0.378 0.000 2.381 56 L HA 0.588 4.928 4.340 -0.001 0.000 0.274 56 L C 0.012 177.145 176.870 0.439 0.000 0.988 56 L CA -0.732 54.307 54.840 0.331 0.000 0.824 56 L CB 1.788 44.037 42.059 0.315 0.000 1.263 56 L HN 0.076 nan 8.230 nan 0.000 0.410 57 R N 2.091 122.751 120.500 0.267 0.000 2.621 57 R HA 0.848 5.187 4.340 -0.001 0.000 0.284 57 R C -0.655 175.726 176.300 0.135 0.000 0.998 57 R CA -0.963 55.258 56.100 0.201 0.000 0.895 57 R CB 2.572 32.870 30.300 -0.004 0.000 1.195 57 R HN 0.831 nan 8.270 nan 0.000 0.450 58 G N -0.077 108.813 108.800 0.151 0.000 2.329 58 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.308 58 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.308 58 G C 0.270 175.261 174.900 0.153 0.000 1.587 58 G CA -0.238 44.933 45.100 0.118 0.000 0.978 58 G HN 0.512 nan 8.290 nan 0.000 0.685 59 S N -0.274 115.501 115.700 0.125 0.000 2.447 59 S HA -0.063 4.406 4.470 -0.001 0.000 0.233 59 S C 1.634 176.329 174.600 0.160 0.000 1.006 59 S CA 1.290 59.571 58.200 0.135 0.000 0.957 59 S CB -0.049 63.211 63.200 0.100 0.000 0.773 59 S HN 0.630 nan 8.310 nan 0.000 0.507 60 R N 0.636 121.238 120.500 0.170 0.000 2.388 60 R HA 0.234 4.574 4.340 -0.001 0.000 0.247 60 R C 1.227 177.634 176.300 0.179 0.000 0.931 60 R CA 0.459 56.684 56.100 0.209 0.000 1.082 60 R CB -0.221 30.258 30.300 0.299 0.000 1.135 60 R HN 0.396 nan 8.270 nan 0.000 0.525 61 T N 0.836 115.503 114.554 0.189 0.000 2.746 61 T HA -0.157 4.193 4.350 -0.001 0.000 0.267 61 T C 1.763 176.481 174.700 0.030 0.000 1.039 61 T CA 1.099 63.309 62.100 0.183 0.000 1.142 61 T CB -0.033 69.026 68.868 0.319 0.000 0.866 61 T HN 0.287 nan 8.240 nan 0.000 0.444 62 R N 0.923 121.480 120.500 0.095 0.000 2.081 62 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 62 R C 2.506 178.751 176.300 -0.091 0.000 1.131 62 R CA 1.588 57.659 56.100 -0.048 0.000 0.960 62 R CB -0.131 30.301 30.300 0.219 0.000 0.856 62 R HN 0.529 nan 8.270 nan 0.000 0.436 63 E N -0.322 119.886 120.200 0.013 0.000 2.077 63 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 63 E C 1.759 178.281 176.600 -0.131 0.000 0.989 63 E CA 1.234 57.649 56.400 0.024 0.000 0.800 63 E CB -0.276 29.522 29.700 0.163 0.000 0.746 63 E HN 0.346 nan 8.360 nan 0.000 0.452 64 F N 1.724 121.337 119.950 -0.562 0.000 2.065 64 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 64 F C 1.936 177.467 175.800 -0.448 0.000 1.112 64 F CA 1.647 59.080 58.000 -0.944 0.000 1.212 64 F CB -0.404 38.024 39.000 -0.953 0.000 0.975 64 F HN 0.021 nan 8.300 nan 0.000 0.476 65 L N -0.196 120.662 121.223 -0.608 0.000 2.156 65 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 65 L C 2.613 179.195 176.870 -0.480 0.000 1.095 65 L CA 0.990 55.406 54.840 -0.706 0.000 0.770 65 L CB -0.575 41.057 42.059 -0.711 0.000 0.914 65 L HN 0.085 nan 8.230 nan 0.000 0.439 66 R N -1.236 119.079 120.500 -0.308 0.000 2.148 66 R HA -0.179 4.161 4.340 -0.001 0.000 0.227 66 R C 2.137 178.424 176.300 -0.022 0.000 1.103 66 R CA 1.193 57.197 56.100 -0.160 0.000 0.983 66 R CB -0.232 30.027 30.300 -0.069 0.000 0.874 66 R HN 0.281 nan 8.270 nan 0.000 0.451 67 Y N 0.881 121.082 120.300 -0.165 0.000 2.269 67 Y HA -0.087 4.463 4.550 -0.001 0.000 0.294 67 Y C 1.968 177.786 175.900 -0.137 0.000 1.120 67 Y CA 0.735 58.794 58.100 -0.068 0.000 1.159 67 Y CB -0.251 38.208 38.460 -0.002 0.000 1.024 67 Y HN -0.098 nan 8.280 nan 0.000 0.532 68 L N 0.099 121.040 121.223 -0.471 0.000 2.046 68 L HA -0.045 4.294 4.340 -0.001 0.000 0.208 68 L C 0.224 176.850 176.870 -0.406 0.000 1.077 68 L CA 1.494 55.992 54.840 -0.570 0.000 0.747 68 L CB -0.385 41.166 42.059 -0.846 0.000 0.896 68 L HN 0.090 nan 8.230 nan 0.000 0.432 69 L N -2.075 118.899 121.223 -0.414 0.000 2.331 69 L HA 0.437 4.777 4.340 -0.001 0.000 0.275 69 L C 1.154 177.673 176.870 -0.585 0.000 1.022 69 L CA -0.060 54.516 54.840 -0.440 0.000 0.812 69 L CB 1.425 43.217 42.059 -0.445 0.000 1.257 69 L HN -0.092 nan 8.230 nan 0.000 0.435 70 A N 1.416 123.806 122.820 -0.717 0.000 2.021 70 A HA 0.006 4.325 4.320 -0.001 0.000 0.216 70 A C 1.027 177.940 177.584 -1.119 0.000 1.163 70 A CA 0.463 51.728 52.037 -1.287 0.000 0.676 70 A CB -0.243 18.253 19.000 -0.841 0.000 0.818 70 A HN 0.755 nan 8.150 nan 0.000 0.453 71 N N 0.661 118.916 118.700 -0.742 0.000 2.354 71 N HA 0.132 4.871 4.740 -0.001 0.000 0.246 71 N C -1.361 173.857 175.510 -0.487 0.000 1.285 71 N CA -0.009 52.694 53.050 -0.579 0.000 0.925 71 N CB 0.616 38.817 38.487 -0.477 0.000 1.174 71 N HN 0.158 nan 8.380 nan 0.000 0.478 72 D N 0.620 120.809 120.400 -0.352 0.000 2.461 72 D HA 0.123 4.762 4.640 -0.001 0.000 0.240 72 D C 1.149 177.327 176.300 -0.203 0.000 1.094 72 D CA -0.588 53.255 54.000 -0.262 0.000 0.868 72 D CB 0.710 41.396 40.800 -0.190 0.000 1.062 72 D HN 0.277 nan 8.370 nan 0.000 0.530 73 V N 2.538 122.325 119.914 -0.212 0.000 3.026 73 V HA -0.082 4.038 4.120 -0.001 0.000 0.265 73 V C 1.878 177.919 176.094 -0.089 0.000 1.121 73 V CA 1.661 63.874 62.300 -0.145 0.000 1.142 73 V CB -0.977 30.714 31.823 -0.220 0.000 0.730 73 V HN 0.477 nan 8.190 nan 0.000 0.503 74 A N 0.240 123.003 122.820 -0.096 0.000 2.178 74 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 74 A C 2.196 179.719 177.584 -0.102 0.000 1.157 74 A CA 1.571 53.563 52.037 -0.075 0.000 0.689 74 A CB -0.574 18.399 19.000 -0.045 0.000 0.787 74 A HN 0.635 nan 8.150 nan 0.000 0.465 75 K N -0.598 119.736 120.400 -0.110 0.000 2.442 75 K HA 0.083 4.403 4.320 -0.001 0.000 0.198 75 K C -0.326 176.188 176.600 -0.144 0.000 1.042 75 K CA 0.303 56.526 56.287 -0.106 0.000 0.958 75 K CB -0.181 32.260 32.500 -0.098 0.000 0.766 75 K HN 0.440 nan 8.250 nan 0.000 0.474 76 L N 1.709 122.804 121.223 -0.212 0.000 2.270 76 L HA 0.115 4.455 4.340 -0.001 0.000 0.286 76 L C 0.952 177.427 176.870 -0.658 0.000 1.059 76 L CA -0.283 54.354 54.840 -0.338 0.000 0.839 76 L CB 0.958 42.870 42.059 -0.246 0.000 1.221 76 L HN 0.123 nan 8.230 nan 0.000 0.431 77 T N -1.911 112.425 114.554 -0.363 0.000 2.958 77 T HA 0.185 4.535 4.350 -0.001 0.000 0.256 77 T C 0.634 175.352 174.700 0.030 0.000 0.983 77 T CA -0.320 61.629 62.100 -0.253 0.000 0.924 77 T CB 0.312 69.124 68.868 -0.093 0.000 1.136 77 T HN 0.247 nan 8.240 nan 0.000 0.506 78 K N 2.161 122.646 120.400 0.142 0.000 2.183 78 K HA 0.578 4.898 4.320 -0.001 0.000 0.274 78 K C -0.072 176.843 176.600 0.525 0.000 1.009 78 K CA -0.384 56.107 56.287 0.340 0.000 0.888 78 K CB 1.570 34.316 32.500 0.411 0.000 1.078 78 K HN 0.081 nan 8.250 nan 0.000 0.459 79 S N 1.345 117.307 115.700 0.437 0.000 2.593 79 S HA 0.083 4.552 4.470 -0.001 0.000 0.300 79 S C 1.304 176.157 174.600 0.422 0.000 1.267 79 S CA 1.548 59.930 58.200 0.303 0.000 1.065 79 S CB -0.285 63.020 63.200 0.175 0.000 0.807 79 S HN 0.884 nan 8.310 nan 0.000 0.499 80 G N 3.225 112.235 108.800 0.350 0.000 2.205 80 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.261 80 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.261 80 G C 0.091 175.209 174.900 0.363 0.000 0.980 80 G CA 0.623 46.004 45.100 0.468 0.000 0.632 80 G HN 0.818 nan 8.290 nan 0.000 0.533 81 K N 1.460 121.943 120.400 0.138 0.000 2.401 81 K HA 0.665 4.984 4.320 -0.001 0.000 0.278 81 K C 0.468 176.974 176.600 -0.156 0.000 1.018 81 K CA 0.709 56.726 56.287 -0.449 0.000 0.981 81 K CB 0.621 32.886 32.500 -0.390 0.000 0.933 81 K HN 0.924 nan 8.250 nan 0.000 0.477 82 A N 3.977 126.696 122.820 -0.170 0.000 2.337 82 A HA 0.740 5.060 4.320 -0.001 0.000 0.331 82 A C -1.228 176.405 177.584 0.081 0.000 1.137 82 A CA -0.809 51.151 52.037 -0.130 0.000 0.807 82 A CB 0.499 19.262 19.000 -0.397 0.000 1.250 82 A HN 0.681 nan 8.150 nan 0.000 0.468 83 L N -1.311 119.931 121.223 0.031 0.000 2.257 83 L HA 0.847 5.187 4.340 -0.001 0.000 0.257 83 L C -0.699 176.283 176.870 0.185 0.000 1.033 83 L CA -0.987 53.919 54.840 0.109 0.000 0.835 83 L CB 1.078 43.105 42.059 -0.053 0.000 1.398 83 L HN 0.656 nan 8.230 nan 0.000 0.429 84 Y N -0.105 120.205 120.300 0.017 0.000 2.377 84 Y HA 0.799 5.348 4.550 -0.001 0.000 0.339 84 Y C -0.376 175.375 175.900 -0.248 0.000 1.011 84 Y CA -0.273 57.808 58.100 -0.032 0.000 1.093 84 Y CB 1.836 40.359 38.460 0.105 0.000 1.201 84 Y HN 0.929 nan 8.280 nan 0.000 0.455 85 S N 3.144 118.381 115.700 -0.772 0.000 2.556 85 S HA 0.743 5.212 4.470 -0.001 0.000 0.271 85 S C -0.721 173.416 174.600 -0.772 0.000 1.135 85 S CA -0.266 57.486 58.200 -0.746 0.000 0.858 85 S CB 1.078 63.981 63.200 -0.496 0.000 1.114 85 S HN 1.223 nan 8.310 nan 0.000 0.468 86 G N 1.762 110.169 108.800 -0.655 0.000 2.448 86 G HA2 0.574 4.533 3.960 -0.001 0.000 0.285 86 G HA3 0.574 4.533 3.960 -0.001 0.000 0.285 86 G C -0.690 173.968 174.900 -0.404 0.000 1.176 86 G CA -0.548 44.267 45.100 -0.474 0.000 0.852 86 G HN 0.731 nan 8.290 nan 0.000 0.530 87 M N 2.465 121.861 119.600 -0.341 0.000 2.134 87 M HA 0.584 5.064 4.480 -0.001 0.000 0.310 87 M C -1.395 174.710 176.300 -0.325 0.000 0.966 87 M CA -0.615 54.493 55.300 -0.321 0.000 0.922 87 M CB 1.031 33.445 32.600 -0.309 0.000 1.537 87 M HN 0.300 nan 8.290 nan 0.000 0.424 88 L N 3.289 124.359 121.223 -0.255 0.000 2.332 88 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 88 L C -0.038 176.682 176.870 -0.251 0.000 1.016 88 L CA -1.171 53.535 54.840 -0.224 0.000 0.809 88 L CB 1.702 43.697 42.059 -0.107 0.000 1.280 88 L HN 0.793 nan 8.230 nan 0.000 0.447 89 N N 0.189 118.737 118.700 -0.252 0.000 2.448 89 N HA 0.311 5.051 4.740 -0.001 0.000 0.274 89 N C 0.328 175.854 175.510 0.027 0.000 1.239 89 N CA -0.226 52.770 53.050 -0.090 0.000 0.982 89 N CB 0.794 39.190 38.487 -0.152 0.000 1.199 89 N HN 0.610 nan 8.380 nan 0.000 0.576 90 A N -0.854 122.031 122.820 0.108 0.000 2.209 90 A HA -0.026 4.294 4.320 -0.001 0.000 0.212 90 A C 1.747 179.350 177.584 0.031 0.000 1.158 90 A CA 0.978 53.053 52.037 0.063 0.000 0.742 90 A CB -1.271 17.785 19.000 0.094 0.000 0.790 90 A HN 0.781 nan 8.150 nan 0.000 0.472 91 S N -1.748 113.968 115.700 0.026 0.000 2.555 91 S HA 0.298 4.767 4.470 -0.001 0.000 0.230 91 S C 1.598 176.200 174.600 0.004 0.000 0.978 91 S CA 1.197 59.405 58.200 0.013 0.000 0.934 91 S CB -0.404 62.802 63.200 0.010 0.000 0.766 91 S HN 1.797 nan 8.310 nan 0.000 0.533 92 G N 0.492 109.288 108.800 -0.006 0.000 2.225 92 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.254 92 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.254 92 G C 0.532 175.414 174.900 -0.030 0.000 0.988 92 G CA -0.002 45.093 45.100 -0.007 0.000 0.625 92 G HN 1.189 nan 8.290 nan 0.000 0.527 93 G N -0.416 108.361 108.800 -0.038 0.000 2.554 93 G HA2 0.507 4.467 3.960 -0.001 0.000 0.238 93 G HA3 0.507 4.467 3.960 -0.001 0.000 0.238 93 G C 0.278 175.129 174.900 -0.081 0.000 1.259 93 G CA 0.410 45.480 45.100 -0.049 0.000 0.843 93 G HN 1.083 nan 8.290 nan 0.000 0.582 94 V N 3.421 123.310 119.914 -0.042 0.000 2.408 94 V HA 0.123 4.243 4.120 -0.001 0.000 0.267 94 V C 1.250 177.367 176.094 0.039 0.000 1.047 94 V CA -0.224 62.069 62.300 -0.012 0.000 0.937 94 V CB 0.882 32.754 31.823 0.083 0.000 0.999 94 V HN 0.700 nan 8.190 nan 0.000 0.472 95 I N 2.018 122.460 120.570 -0.214 0.000 2.277 95 I HA 0.070 4.240 4.170 -0.001 0.000 0.243 95 I C 0.803 176.588 176.117 -0.552 0.000 1.094 95 I CA 1.360 62.433 61.300 -0.378 0.000 1.393 95 I CB 0.214 37.782 38.000 -0.721 0.000 1.078 95 I HN 0.630 nan 8.210 nan 0.000 0.417 96 D N -0.831 119.279 120.400 -0.482 0.000 2.639 96 D HA 0.191 4.830 4.640 -0.001 0.000 0.271 96 D C -1.875 174.244 176.300 -0.301 0.000 1.254 96 D CA -0.532 53.103 54.000 -0.609 0.000 0.810 96 D CB 1.731 42.205 40.800 -0.545 0.000 1.351 96 D HN 0.024 nan 8.370 nan 0.000 0.427 97 D N 0.196 120.482 120.400 -0.190 0.000 2.299 97 D HA 0.668 5.308 4.640 -0.001 0.000 0.243 97 D C -0.418 175.801 176.300 -0.136 0.000 0.982 97 D CA -0.548 53.351 54.000 -0.169 0.000 0.924 97 D CB 1.699 42.503 40.800 0.007 0.000 1.238 97 D HN 0.360 nan 8.370 nan 0.000 0.484 98 L N -3.008 118.116 121.223 -0.165 0.000 2.710 98 L HA 0.583 4.923 4.340 -0.001 0.000 0.260 98 L C -1.364 175.478 176.870 -0.047 0.000 0.993 98 L CA -1.042 53.737 54.840 -0.102 0.000 0.877 98 L CB 1.283 43.248 42.059 -0.158 0.000 1.461 98 L HN 0.410 nan 8.230 nan 0.000 0.413 99 I N 1.800 122.346 120.570 -0.039 0.000 2.377 99 I HA 0.682 4.851 4.170 -0.001 0.000 0.293 99 I C -0.712 175.276 176.117 -0.215 0.000 0.987 99 I CA -1.127 60.104 61.300 -0.115 0.000 1.185 99 I CB 1.968 39.866 38.000 -0.171 0.000 1.341 99 I HN 0.564 nan 8.210 nan 0.000 0.455 100 V N 7.850 127.592 119.914 -0.287 0.000 2.487 100 V HA 0.488 4.607 4.120 -0.001 0.000 0.298 100 V C -1.508 174.388 176.094 -0.330 0.000 1.028 100 V CA -0.298 61.879 62.300 -0.205 0.000 0.860 100 V CB 1.667 33.420 31.823 -0.116 0.000 0.991 100 V HN 0.519 nan 8.190 nan 0.000 0.427 101 Y N 6.185 126.415 120.300 -0.116 0.000 2.335 101 Y HA 0.488 5.038 4.550 -0.001 0.000 0.338 101 Y C -0.401 175.114 175.900 -0.641 0.000 0.977 101 Y CA -0.551 57.358 58.100 -0.318 0.000 1.114 101 Y CB 1.659 39.900 38.460 -0.366 0.000 1.182 101 Y HN 0.762 nan 8.280 nan 0.000 0.463 102 Y N 3.549 123.533 120.300 -0.528 0.000 2.313 102 Y HA 0.354 4.903 4.550 -0.001 0.000 0.332 102 Y C -0.764 174.622 175.900 -0.857 0.000 1.071 102 Y CA -0.893 56.697 58.100 -0.850 0.000 1.169 102 Y CB 0.420 38.616 38.460 -0.440 0.000 1.192 102 Y HN 0.602 nan 8.280 nan 0.000 0.487 103 F N 1.352 120.677 119.950 -1.041 0.000 2.532 103 F HA 0.231 4.758 4.527 -0.001 0.000 0.278 103 F C 1.030 176.261 175.800 -0.949 0.000 0.975 103 F CA 0.676 58.210 58.000 -0.777 0.000 1.292 103 F CB -0.301 38.337 39.000 -0.603 0.000 1.112 103 F HN 0.493 nan 8.300 nan 0.000 0.703 104 T N -2.952 111.160 114.554 -0.736 0.000 2.838 104 T HA 0.283 4.633 4.350 -0.001 0.000 0.292 104 T C 0.674 175.148 174.700 -0.376 0.000 1.113 104 T CA -0.584 61.205 62.100 -0.517 0.000 1.008 104 T CB 1.848 70.686 68.868 -0.049 0.000 1.259 104 T HN -0.019 nan 8.240 nan 0.000 0.520 105 E N 0.398 120.666 120.200 0.114 0.000 2.209 105 E HA -0.126 4.223 4.350 -0.001 0.000 0.196 105 E C 0.381 177.203 176.600 0.370 0.000 0.993 105 E CA 1.361 57.968 56.400 0.345 0.000 0.819 105 E CB -0.107 29.761 29.700 0.279 0.000 0.745 105 E HN 0.600 nan 8.360 nan 0.000 0.477 106 D N -1.251 119.301 120.400 0.252 0.000 2.402 106 D HA 0.095 4.734 4.640 -0.001 0.000 0.216 106 D C -0.763 175.772 176.300 0.392 0.000 1.128 106 D CA -0.034 54.142 54.000 0.293 0.000 0.833 106 D CB 0.253 41.165 40.800 0.188 0.000 0.971 106 D HN -0.048 nan 8.370 nan 0.000 0.503 107 F N 1.098 121.104 119.950 0.094 0.000 2.787 107 F HA 0.412 4.939 4.527 -0.000 0.000 0.340 107 F C -2.014 173.750 175.800 -0.060 0.000 1.232 107 F CA -1.438 56.626 58.000 0.106 0.000 1.051 107 F CB 0.285 39.338 39.000 0.088 0.000 1.330 107 F HN -0.342 nan 8.300 nan 0.000 0.522 108 F N 4.312 124.279 119.950 0.028 0.000 2.603 108 F HA 0.681 5.208 4.527 -0.001 0.000 0.317 108 F C -0.367 175.326 175.800 -0.179 0.000 1.066 108 F CA -0.922 56.935 58.000 -0.238 0.000 0.941 108 F CB 2.165 41.130 39.000 -0.059 0.000 1.291 108 F HN 0.439 nan 8.300 nan 0.000 0.472 109 R N 2.176 122.651 120.500 -0.041 0.000 2.621 109 R HA 0.773 5.113 4.340 -0.001 0.000 0.292 109 R C -2.176 174.206 176.300 0.136 0.000 0.969 109 R CA -0.525 55.627 56.100 0.088 0.000 0.887 109 R CB 1.379 31.723 30.300 0.073 0.000 1.180 109 R HN 0.762 nan 8.270 nan 0.000 0.450 110 L N 4.102 125.390 121.223 0.109 0.000 2.346 110 L HA 0.613 4.953 4.340 -0.001 0.000 0.274 110 L C -0.856 176.053 176.870 0.065 0.000 1.007 110 L CA -1.314 53.561 54.840 0.058 0.000 0.818 110 L CB 2.181 44.255 42.059 0.025 0.000 1.284 110 L HN 0.372 nan 8.230 nan 0.000 0.424 111 V N 3.379 123.321 119.914 0.047 0.000 2.444 111 V HA 0.556 4.676 4.120 -0.001 0.000 0.294 111 V C -0.049 176.024 176.094 -0.034 0.000 1.022 111 V CA -0.642 61.679 62.300 0.034 0.000 0.850 111 V CB 2.079 33.964 31.823 0.104 0.000 0.992 111 V HN 0.571 nan 8.190 nan 0.000 0.426 112 V N 1.719 121.594 119.914 -0.066 0.000 3.126 112 V HA 0.716 4.836 4.120 -0.001 0.000 0.314 112 V C -0.050 175.954 176.094 -0.150 0.000 1.138 112 V CA -1.076 61.157 62.300 -0.111 0.000 1.034 112 V CB 2.113 33.868 31.823 -0.113 0.000 1.075 112 V HN 0.692 nan 8.190 nan 0.000 0.442 113 N N 1.128 119.724 118.700 -0.174 0.000 2.354 113 N HA 0.151 4.891 4.740 -0.001 0.000 0.246 113 N C 1.459 176.856 175.510 -0.188 0.000 1.285 113 N CA 0.579 53.520 53.050 -0.182 0.000 0.925 113 N CB 1.349 39.763 38.487 -0.123 0.000 1.174 113 N HN 1.001 nan 8.380 nan 0.000 0.478 114 S N -0.133 115.441 115.700 -0.209 0.000 2.377 114 S HA -0.066 4.404 4.470 -0.001 0.000 0.223 114 S C 1.925 176.500 174.600 -0.042 0.000 1.030 114 S CA 0.755 58.870 58.200 -0.141 0.000 0.970 114 S CB -0.451 62.641 63.200 -0.180 0.000 0.830 114 S HN 0.632 nan 8.310 nan 0.000 0.473 115 A N 2.272 124.988 122.820 -0.173 0.000 1.948 115 A HA -0.109 4.211 4.320 -0.001 0.000 0.220 115 A C 2.440 179.913 177.584 -0.184 0.000 1.177 115 A CA 2.295 54.117 52.037 -0.358 0.000 0.636 115 A CB -1.546 17.078 19.000 -0.627 0.000 0.815 115 A HN 0.807 nan 8.150 nan 0.000 0.449 116 T N -3.459 110.991 114.554 -0.174 0.000 3.086 116 T HA 0.145 4.495 4.350 -0.001 0.000 0.250 116 T C 1.609 176.242 174.700 -0.112 0.000 1.074 116 T CA 0.477 62.460 62.100 -0.194 0.000 0.988 116 T CB -0.054 68.591 68.868 -0.372 0.000 0.988 116 T HN 0.520 nan 8.240 nan 0.000 0.530 117 R N 1.532 122.003 120.500 -0.048 0.000 2.115 117 R HA -0.174 4.165 4.340 -0.001 0.000 0.239 117 R C 1.996 178.309 176.300 0.023 0.000 1.133 117 R CA 1.954 58.058 56.100 0.005 0.000 0.935 117 R CB -0.187 30.159 30.300 0.077 0.000 0.853 117 R HN 0.267 nan 8.270 nan 0.000 0.433 118 E N 0.578 120.797 120.200 0.032 0.000 2.106 118 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 118 E C 1.842 178.471 176.600 0.049 0.000 0.984 118 E CA 0.967 57.394 56.400 0.044 0.000 0.806 118 E CB -0.207 29.518 29.700 0.042 0.000 0.750 118 E HN 0.381 nan 8.360 nan 0.000 0.458 119 K N 0.843 121.258 120.400 0.025 0.000 2.009 119 K HA -0.183 4.136 4.320 -0.001 0.000 0.210 119 K C 1.503 178.145 176.600 0.070 0.000 1.049 119 K CA 1.781 58.089 56.287 0.034 0.000 0.929 119 K CB 0.032 32.513 32.500 -0.031 0.000 0.714 119 K HN -0.087 nan 8.250 nan 0.000 0.440 120 D N 0.693 121.097 120.400 0.007 0.000 2.144 120 D HA -0.137 4.503 4.640 -0.001 0.000 0.199 120 D C 1.908 178.298 176.300 0.151 0.000 0.984 120 D CA 0.970 54.992 54.000 0.036 0.000 0.834 120 D CB -0.050 40.723 40.800 -0.046 0.000 0.955 120 D HN 0.240 nan 8.370 nan 0.000 0.465 121 L N 0.214 121.504 121.223 0.112 0.000 2.156 121 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 121 L C 2.356 179.312 176.870 0.144 0.000 1.095 121 L CA 0.611 55.523 54.840 0.121 0.000 0.770 121 L CB -0.197 41.914 42.059 0.085 0.000 0.914 121 L HN -0.064 nan 8.230 nan 0.000 0.439 122 S N -0.792 114.999 115.700 0.151 0.000 2.368 122 S HA -0.202 4.267 4.470 -0.001 0.000 0.225 122 S C 1.599 176.338 174.600 0.232 0.000 1.030 122 S CA 1.103 59.396 58.200 0.155 0.000 0.999 122 S CB -0.367 62.920 63.200 0.144 0.000 0.844 122 S HN 0.546 nan 8.310 nan 0.000 0.459 123 W N 2.169 123.533 121.300 0.107 0.000 2.358 123 W HA -0.078 4.581 4.660 -0.001 0.000 0.303 123 W C 1.691 178.390 176.519 0.300 0.000 1.208 123 W CA 1.000 58.466 57.345 0.201 0.000 1.274 123 W CB -0.387 29.133 29.460 0.100 0.000 1.138 123 W HN 0.254 nan 8.180 nan 0.000 0.515 124 I N 1.149 121.953 120.570 0.390 0.000 2.179 124 I HA -0.349 3.821 4.170 -0.001 0.000 0.242 124 I C 2.626 178.873 176.117 0.217 0.000 1.088 124 I CA 2.185 63.693 61.300 0.347 0.000 1.357 124 I CB -0.890 37.293 38.000 0.304 0.000 1.051 124 I HN -0.038 nan 8.210 nan 0.000 0.409 125 T N -1.685 112.944 114.554 0.125 0.000 2.857 125 T HA -0.238 4.111 4.350 -0.001 0.000 0.266 125 T C 1.803 176.493 174.700 -0.017 0.000 1.048 125 T CA 1.136 63.255 62.100 0.032 0.000 1.139 125 T CB -0.460 68.425 68.868 0.029 0.000 0.874 125 T HN 0.371 nan 8.240 nan 0.000 0.455 126 Q N 0.468 120.249 119.800 -0.032 0.000 2.030 126 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 126 Q C 2.142 178.021 176.000 -0.202 0.000 0.986 126 Q CA 1.971 57.679 55.803 -0.158 0.000 0.843 126 Q CB -0.219 28.361 28.738 -0.264 0.000 0.904 126 Q HN 0.790 nan 8.270 nan 0.000 0.420 127 H N -1.117 117.889 119.070 -0.107 0.000 2.502 127 H HA 0.152 4.708 4.556 -0.001 0.000 0.283 127 H C 1.612 177.050 175.328 0.183 0.000 1.015 127 H CA 0.944 57.027 56.048 0.058 0.000 1.298 127 H CB 0.134 29.937 29.762 0.069 0.000 1.411 127 H HN 0.394 nan 8.280 nan 0.000 0.556 128 A N 0.618 123.385 122.820 -0.089 0.000 2.066 128 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 128 A C 2.111 179.587 177.584 -0.181 0.000 1.157 128 A CA 1.081 52.659 52.037 -0.765 0.000 0.670 128 A CB -0.229 18.160 19.000 -1.018 0.000 0.804 128 A HN 0.484 nan 8.150 nan 0.000 0.453 129 E N 0.169 120.310 120.200 -0.099 0.000 2.086 129 E HA -0.203 4.147 4.350 -0.001 0.000 0.200 129 E C -0.751 175.800 176.600 -0.082 0.000 1.012 129 E CA 1.749 58.098 56.400 -0.084 0.000 0.812 129 E CB -0.665 28.984 29.700 -0.085 0.000 0.743 129 E HN 0.450 nan 8.360 nan 0.000 0.453 130 P HA -0.126 nan 4.420 nan 0.000 0.222 130 P C 0.474 177.573 177.300 -0.335 0.000 1.147 130 P CA 1.131 64.067 63.100 -0.274 0.000 0.790 130 P CB -0.145 31.280 31.700 -0.458 0.000 0.780 131 F N -1.272 118.605 119.950 -0.121 0.000 2.789 131 F HA 0.322 4.848 4.527 -0.001 0.000 0.300 131 F C 1.687 177.432 175.800 -0.091 0.000 1.132 131 F CA 0.461 58.405 58.000 -0.095 0.000 1.404 131 F CB -0.811 38.123 39.000 -0.110 0.000 1.114 131 F HN -0.076 nan 8.300 nan 0.000 0.584 132 G N 1.820 110.637 108.800 0.028 0.000 2.323 132 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.292 132 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.292 132 G C 0.127 175.034 174.900 0.012 0.000 1.040 132 G CA -0.233 44.869 45.100 0.003 0.000 0.942 132 G HN 0.165 nan 8.290 nan 0.000 0.506 133 I N -0.156 120.403 120.570 -0.019 0.000 2.519 133 I HA 0.276 4.446 4.170 -0.001 0.000 0.287 133 I C 0.854 176.962 176.117 -0.015 0.000 1.047 133 I CA -0.772 60.516 61.300 -0.020 0.000 1.381 133 I CB 1.305 39.230 38.000 -0.125 0.000 1.417 133 I HN 0.363 nan 8.210 nan 0.000 0.540 134 E N 5.874 126.083 120.200 0.015 0.000 2.105 134 E HA 0.371 4.721 4.350 -0.001 0.000 0.285 134 E C -1.043 175.578 176.600 0.036 0.000 1.055 134 E CA -0.383 56.025 56.400 0.013 0.000 0.843 134 E CB 0.563 30.265 29.700 0.004 0.000 1.067 134 E HN 0.414 nan 8.360 nan 0.000 0.398 135 I N 4.410 124.995 120.570 0.026 0.000 2.330 135 I HA 0.197 4.366 4.170 -0.001 0.000 0.289 135 I C -0.357 175.792 176.117 0.054 0.000 1.001 135 I CA -0.406 60.924 61.300 0.050 0.000 1.193 135 I CB 1.882 39.900 38.000 0.031 0.000 1.345 135 I HN 0.382 nan 8.210 nan 0.000 0.461 136 T N 5.640 120.240 114.554 0.077 0.000 2.779 136 T HA 0.396 4.746 4.350 -0.001 0.000 0.280 136 T C -0.093 174.648 174.700 0.069 0.000 0.987 136 T CA -0.498 61.639 62.100 0.063 0.000 0.966 136 T CB 1.783 70.685 68.868 0.057 0.000 0.933 136 T HN 0.130 nan 8.240 nan 0.000 0.442 137 V N 4.987 124.935 119.914 0.057 0.000 2.385 137 V HA 0.285 4.404 4.120 -0.001 0.000 0.269 137 V C 0.773 176.900 176.094 0.055 0.000 1.043 137 V CA -0.732 61.604 62.300 0.060 0.000 0.906 137 V CB 0.564 32.424 31.823 0.061 0.000 0.995 137 V HN 0.667 nan 8.190 nan 0.000 0.467 138 R N 2.965 123.497 120.500 0.052 0.000 4.680 138 R HA 0.171 4.511 4.340 -0.001 0.000 0.222 138 R C 0.249 176.582 176.300 0.056 0.000 1.803 138 R CA -0.219 55.906 56.100 0.042 0.000 1.560 138 R CB -0.420 29.892 30.300 0.021 0.000 1.412 138 R HN 0.615 nan 8.270 nan 0.000 0.815 139 D N 0.716 121.158 120.400 0.070 0.000 2.378 139 D HA -0.110 4.530 4.640 -0.001 0.000 0.227 139 D C 1.009 177.361 176.300 0.087 0.000 1.012 139 D CA 0.758 54.816 54.000 0.097 0.000 0.905 139 D CB 0.252 41.115 40.800 0.105 0.000 0.895 139 D HN 0.437 nan 8.370 nan 0.000 0.532 140 D N -0.076 120.361 120.400 0.062 0.000 2.363 140 D HA -0.090 4.550 4.640 -0.001 0.000 0.226 140 D C 0.535 176.866 176.300 0.053 0.000 1.020 140 D CA 0.116 54.148 54.000 0.052 0.000 0.892 140 D CB 0.298 41.117 40.800 0.033 0.000 0.900 140 D HN 0.205 nan 8.370 nan 0.000 0.531 141 L N 0.493 121.752 121.223 0.060 0.000 2.346 141 L HA 0.357 4.697 4.340 -0.001 0.000 0.276 141 L C 0.080 177.003 176.870 0.088 0.000 1.006 141 L CA -0.700 54.175 54.840 0.059 0.000 0.817 141 L CB 2.164 44.243 42.059 0.034 0.000 1.272 141 L HN -0.204 nan 8.230 nan 0.000 0.421 142 S N 2.567 118.327 115.700 0.101 0.000 2.722 142 S HA 0.768 5.238 4.470 -0.001 0.000 0.292 142 S C -0.633 174.055 174.600 0.148 0.000 1.135 142 S CA -0.609 57.671 58.200 0.134 0.000 1.003 142 S CB 1.903 65.191 63.200 0.146 0.000 1.067 142 S HN 0.592 nan 8.310 nan 0.000 0.546 143 M N 2.087 121.799 119.600 0.186 0.000 2.371 143 M HA 0.565 5.045 4.480 -0.001 0.000 0.287 143 M C -2.302 174.173 176.300 0.292 0.000 1.149 143 M CA -0.282 55.147 55.300 0.215 0.000 0.929 143 M CB 1.181 33.888 32.600 0.178 0.000 1.683 143 M HN 0.579 nan 8.290 nan 0.000 0.470 144 I N 3.556 124.332 120.570 0.344 0.000 2.466 144 I HA 0.595 4.765 4.170 -0.001 0.000 0.289 144 I C -0.405 175.942 176.117 0.383 0.000 1.026 144 I CA -0.821 60.734 61.300 0.426 0.000 1.078 144 I CB 2.138 40.444 38.000 0.510 0.000 1.249 144 I HN 0.803 nan 8.210 nan 0.000 0.429 145 A N 6.893 129.954 122.820 0.401 0.000 2.260 145 A HA 0.657 4.977 4.320 -0.001 0.000 0.312 145 A C -0.481 177.322 177.584 0.366 0.000 1.321 145 A CA -0.406 51.855 52.037 0.373 0.000 0.928 145 A CB 0.454 19.672 19.000 0.364 0.000 1.158 145 A HN 0.455 nan 8.150 nan 0.000 0.542 146 V N 4.502 124.580 119.914 0.273 0.000 2.350 146 V HA 0.414 4.533 4.120 -0.001 0.000 0.276 146 V C -0.402 175.756 176.094 0.106 0.000 1.028 146 V CA -0.389 62.001 62.300 0.149 0.000 0.860 146 V CB 0.962 32.861 31.823 0.127 0.000 0.990 146 V HN 0.892 nan 8.190 nan 0.000 0.453 147 Q N 2.883 122.731 119.800 0.081 0.000 2.331 147 Q HA 0.803 5.142 4.340 -0.001 0.000 0.272 147 Q C 0.027 176.026 176.000 -0.002 0.000 1.062 147 Q CA -0.178 55.672 55.803 0.079 0.000 0.806 147 Q CB 2.696 31.570 28.738 0.226 0.000 1.312 147 Q HN 1.075 nan 8.270 nan 0.000 0.431 148 G N 2.030 110.807 108.800 -0.040 0.000 2.351 148 G HA2 0.025 3.985 3.960 -0.001 0.000 0.353 148 G HA3 0.025 3.985 3.960 -0.001 0.000 0.353 148 G C -2.642 172.201 174.900 -0.093 0.000 1.358 148 G CA -0.681 44.373 45.100 -0.076 0.000 0.995 148 G HN 0.320 nan 8.290 nan 0.000 0.611 149 P HA 0.068 nan 4.420 nan 0.000 0.231 149 P C 0.770 178.010 177.300 -0.100 0.000 1.168 149 P CA 0.741 63.786 63.100 -0.091 0.000 0.779 149 P CB 0.220 31.870 31.700 -0.083 0.000 0.844 150 N N -0.603 118.032 118.700 -0.110 0.000 2.205 150 N HA 0.143 4.882 4.740 -0.001 0.000 0.201 150 N C 1.532 176.962 175.510 -0.135 0.000 1.128 150 N CA 0.191 53.174 53.050 -0.113 0.000 0.867 150 N CB -0.055 38.369 38.487 -0.105 0.000 0.996 150 N HN -0.003 nan 8.380 nan 0.000 0.503 151 A N 1.308 124.040 122.820 -0.146 0.000 1.873 151 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 151 A C 2.104 179.564 177.584 -0.208 0.000 1.193 151 A CA 1.404 53.345 52.037 -0.160 0.000 0.629 151 A CB -0.491 18.427 19.000 -0.137 0.000 0.826 151 A HN 0.284 nan 8.150 nan 0.000 0.447 152 Q N -1.049 118.561 119.800 -0.316 0.000 2.124 152 Q HA -0.084 4.256 4.340 -0.001 0.000 0.202 152 Q C 2.393 178.306 176.000 -0.145 0.000 0.977 152 Q CA 1.296 56.830 55.803 -0.448 0.000 0.850 152 Q CB -0.326 28.068 28.738 -0.573 0.000 0.901 152 Q HN 0.712 nan 8.270 nan 0.000 0.429 153 A N 1.091 123.833 122.820 -0.130 0.000 1.929 153 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 153 A C 1.862 179.367 177.584 -0.131 0.000 1.176 153 A CA 1.144 53.123 52.037 -0.098 0.000 0.628 153 A CB -0.130 18.820 19.000 -0.083 0.000 0.816 153 A HN 0.138 nan 8.150 nan 0.000 0.444 154 K N -0.153 120.160 120.400 -0.145 0.000 2.001 154 K HA -0.013 4.306 4.320 -0.001 0.000 0.208 154 K C 2.362 178.833 176.600 -0.215 0.000 1.048 154 K CA 1.080 57.267 56.287 -0.167 0.000 0.932 154 K CB -0.356 32.043 32.500 -0.168 0.000 0.715 154 K HN 0.395 nan 8.250 nan 0.000 0.437 155 A N 1.621 124.321 122.820 -0.200 0.000 1.917 155 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 155 A C 2.336 179.524 177.584 -0.661 0.000 1.182 155 A CA 2.136 54.024 52.037 -0.248 0.000 0.633 155 A CB -0.822 18.235 19.000 0.094 0.000 0.819 155 A HN 0.373 nan 8.150 nan 0.000 0.448 156 A N -0.491 121.967 122.820 -0.603 0.000 2.168 156 A HA 0.028 4.347 4.320 -0.001 0.000 0.215 156 A C 2.190 179.492 177.584 -0.470 0.000 1.152 156 A CA 1.987 53.492 52.037 -0.887 0.000 0.716 156 A CB -1.203 17.645 19.000 -0.253 0.000 0.794 156 A HN 0.830 nan 8.150 nan 0.000 0.465 157 T N -2.258 112.119 114.554 -0.294 0.000 3.072 157 T HA 0.065 4.415 4.350 -0.001 0.000 0.266 157 T C 1.382 176.027 174.700 -0.091 0.000 1.127 157 T CA 1.195 63.207 62.100 -0.146 0.000 1.107 157 T CB -0.385 68.413 68.868 -0.115 0.000 0.910 157 T HN 0.357 nan 8.240 nan 0.000 0.513 158 L N -0.997 120.149 121.223 -0.127 0.000 2.554 158 L HA 0.403 4.742 4.340 -0.001 0.000 0.225 158 L C 0.303 177.362 176.870 0.314 0.000 1.104 158 L CA -0.470 54.421 54.840 0.085 0.000 0.866 158 L CB -0.136 41.997 42.059 0.123 0.000 1.047 158 L HN 0.147 nan 8.230 nan 0.000 0.468 159 F N 1.600 121.626 119.950 0.126 0.000 2.440 159 F HA 0.133 4.659 4.527 -0.001 0.000 0.323 159 F C 1.065 176.888 175.800 0.039 0.000 1.192 159 F CA -1.756 56.285 58.000 0.069 0.000 1.252 159 F CB -0.130 38.886 39.000 0.028 0.000 1.214 159 F HN 0.104 nan 8.300 nan 0.000 0.578 160 N N 0.225 119.053 118.700 0.213 0.000 2.379 160 N HA 0.023 4.763 4.740 -0.001 0.000 0.260 160 N C 0.356 175.924 175.510 0.097 0.000 1.254 160 N CA -0.288 52.830 53.050 0.113 0.000 0.958 160 N CB 0.185 38.705 38.487 0.055 0.000 1.208 160 N HN 0.365 nan 8.380 nan 0.000 0.532 161 D N -0.013 120.422 120.400 0.059 0.000 2.116 161 D HA -0.167 4.472 4.640 -0.001 0.000 0.193 161 D C 1.738 178.051 176.300 0.020 0.000 0.998 161 D CA 2.331 56.357 54.000 0.043 0.000 0.836 161 D CB -0.753 40.062 40.800 0.025 0.000 0.951 161 D HN 0.725 nan 8.370 nan 0.000 0.449 162 A N 0.572 123.389 122.820 -0.005 0.000 1.908 162 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 162 A C 2.148 179.689 177.584 -0.072 0.000 1.181 162 A CA 1.813 53.828 52.037 -0.037 0.000 0.627 162 A CB -0.641 18.329 19.000 -0.049 0.000 0.818 162 A HN 0.274 nan 8.150 nan 0.000 0.445 163 Q N -0.959 118.787 119.800 -0.090 0.000 2.049 163 Q HA -0.105 4.234 4.340 -0.001 0.000 0.198 163 Q C 2.402 178.324 176.000 -0.130 0.000 0.971 163 Q CA 1.361 57.026 55.803 -0.230 0.000 0.833 163 Q CB -0.156 28.347 28.738 -0.392 0.000 0.896 163 Q HN 0.619 nan 8.270 nan 0.000 0.434 164 R N 0.442 120.996 120.500 0.090 0.000 2.091 164 R HA -0.204 4.135 4.340 -0.001 0.000 0.238 164 R C 2.307 178.647 176.300 0.067 0.000 1.136 164 R CA 1.558 57.766 56.100 0.180 0.000 0.959 164 R CB -0.197 30.211 30.300 0.180 0.000 0.856 164 R HN 0.316 nan 8.270 nan 0.000 0.437 165 Q N 0.340 120.150 119.800 0.018 0.000 2.084 165 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 165 Q C 2.092 178.071 176.000 -0.035 0.000 0.978 165 Q CA 1.691 57.491 55.803 -0.006 0.000 0.844 165 Q CB -0.101 28.629 28.738 -0.014 0.000 0.898 165 Q HN 0.384 nan 8.270 nan 0.000 0.426 166 A N 0.074 122.851 122.820 -0.071 0.000 1.948 166 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 166 A C 1.955 179.477 177.584 -0.103 0.000 1.177 166 A CA 1.904 53.877 52.037 -0.107 0.000 0.636 166 A CB -0.696 18.204 19.000 -0.167 0.000 0.815 166 A HN 0.483 nan 8.150 nan 0.000 0.449 167 V N -2.180 117.686 119.914 -0.080 0.000 3.621 167 V HA 0.240 4.359 4.120 -0.001 0.000 0.285 167 V C 0.477 176.598 176.094 0.044 0.000 1.346 167 V CA 0.411 62.692 62.300 -0.033 0.000 1.104 167 V CB -0.864 30.931 31.823 -0.048 0.000 0.913 167 V HN 0.496 nan 8.190 nan 0.000 0.432 168 E N 1.746 121.963 120.200 0.028 0.000 2.417 168 E HA 0.382 4.732 4.350 -0.001 0.000 0.261 168 E C 1.387 177.998 176.600 0.019 0.000 1.000 168 E CA 0.961 57.386 56.400 0.040 0.000 0.919 168 E CB 0.044 29.757 29.700 0.022 0.000 0.955 168 E HN 0.790 nan 8.360 nan 0.000 0.455 169 G N 4.341 113.164 108.800 0.038 0.000 2.187 169 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.261 169 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.261 169 G C 0.298 175.201 174.900 0.006 0.000 1.000 169 G CA 0.512 45.624 45.100 0.020 0.000 0.718 169 G HN 0.601 nan 8.290 nan 0.000 0.519 170 M N 0.407 120.023 119.600 0.027 0.000 2.252 170 M HA 0.389 4.869 4.480 -0.001 0.000 0.348 170 M C 0.865 177.209 176.300 0.073 0.000 1.334 170 M CA 0.475 55.770 55.300 -0.008 0.000 1.071 170 M CB 0.278 32.904 32.600 0.043 0.000 1.763 170 M HN 0.207 nan 8.290 nan 0.000 0.452 171 K N 5.141 125.575 120.400 0.057 0.000 2.098 171 K HA 0.469 4.789 4.320 -0.001 0.000 0.244 171 K C -2.426 174.425 176.600 0.418 0.000 1.014 171 K CA -1.592 54.831 56.287 0.226 0.000 0.917 171 K CB 0.275 32.923 32.500 0.247 0.000 1.072 171 K HN 0.397 nan 8.250 nan 0.000 0.477 172 P HA -0.041 nan 4.420 nan 0.000 0.267 172 P C -0.674 176.944 177.300 0.529 0.000 1.200 172 P CA 0.253 63.592 63.100 0.399 0.000 0.772 172 P CB 0.098 31.995 31.700 0.327 0.000 0.855 173 F N -0.915 119.148 119.950 0.187 0.000 2.975 173 F HA -0.197 4.329 4.527 -0.001 0.000 0.319 173 F C -0.403 175.353 175.800 -0.073 0.000 0.976 173 F CA 0.901 58.939 58.000 0.063 0.000 1.072 173 F CB -2.045 36.936 39.000 -0.032 0.000 1.165 173 F HN 0.137 nan 8.300 nan 0.000 0.758 174 F N -0.328 119.763 119.950 0.236 0.000 2.603 174 F HA 0.786 5.313 4.527 -0.001 0.000 0.317 174 F C 0.562 176.476 175.800 0.190 0.000 1.066 174 F CA -0.667 57.467 58.000 0.222 0.000 0.941 174 F CB 2.229 41.322 39.000 0.156 0.000 1.291 174 F HN -0.004 nan 8.300 nan 0.000 0.472 175 G N 0.928 109.958 108.800 0.385 0.000 2.662 175 G HA2 0.601 4.561 3.960 -0.001 0.000 0.302 175 G HA3 0.601 4.561 3.960 -0.001 0.000 0.302 175 G C -2.360 172.466 174.900 -0.123 0.000 1.389 175 G CA -0.860 44.174 45.100 -0.110 0.000 0.998 175 G HN 0.673 nan 8.290 nan 0.000 0.502 176 V N 1.201 120.798 119.914 -0.529 0.000 2.971 176 V HA 0.712 4.831 4.120 -0.001 0.000 0.309 176 V C -1.100 174.743 176.094 -0.419 0.000 1.130 176 V CA -0.845 61.281 62.300 -0.290 0.000 0.964 176 V CB 2.253 33.977 31.823 -0.166 0.000 1.029 176 V HN 0.867 nan 8.190 nan 0.000 0.427 177 Q N 3.813 123.501 119.800 -0.187 0.000 2.256 177 Q HA 0.781 5.121 4.340 -0.001 0.000 0.254 177 Q C -0.606 175.286 176.000 -0.179 0.000 0.916 177 Q CA 0.355 56.087 55.803 -0.119 0.000 0.932 177 Q CB 1.662 30.351 28.738 -0.082 0.000 1.207 177 Q HN 1.143 nan 8.270 nan 0.000 0.426 178 A N 3.825 126.518 122.820 -0.213 0.000 2.569 178 A HA 0.702 5.021 4.320 -0.001 0.000 0.282 178 A C 0.303 177.771 177.584 -0.193 0.000 1.165 178 A CA 0.038 51.949 52.037 -0.211 0.000 0.747 178 A CB 0.159 18.986 19.000 -0.288 0.000 1.215 178 A HN 1.218 nan 8.150 nan 0.000 0.431 179 G N 2.031 110.750 108.800 -0.135 0.000 2.550 179 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.277 179 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.277 179 G C 0.420 175.254 174.900 -0.110 0.000 1.190 179 G CA 0.691 45.724 45.100 -0.112 0.000 0.971 179 G HN 0.617 nan 8.290 nan 0.000 0.559 180 D N 0.757 121.092 120.400 -0.108 0.000 2.363 180 D HA 0.169 4.809 4.640 -0.001 0.000 0.226 180 D C 1.205 177.426 176.300 -0.131 0.000 1.020 180 D CA 0.436 54.377 54.000 -0.098 0.000 0.892 180 D CB -0.065 40.688 40.800 -0.078 0.000 0.900 180 D HN 0.371 nan 8.370 nan 0.000 0.531 181 L N 0.514 121.620 121.223 -0.194 0.000 2.289 181 L HA 0.307 4.646 4.340 -0.001 0.000 0.285 181 L C -0.297 176.471 176.870 -0.170 0.000 1.049 181 L CA -0.895 53.800 54.840 -0.243 0.000 0.804 181 L CB 1.132 42.935 42.059 -0.426 0.000 1.195 181 L HN -0.157 nan 8.230 nan 0.000 0.428 182 F N 4.860 124.668 119.950 -0.237 0.000 2.385 182 F HA 0.571 5.098 4.527 -0.001 0.000 0.360 182 F C -0.411 175.257 175.800 -0.221 0.000 1.122 182 F CA -0.507 57.356 58.000 -0.229 0.000 1.090 182 F CB 0.734 39.618 39.000 -0.194 0.000 1.150 182 F HN 0.197 nan 8.300 nan 0.000 0.472 183 I N 6.095 126.148 120.570 -0.861 0.000 2.418 183 I HA 0.644 4.814 4.170 -0.001 0.000 0.287 183 I C -0.699 175.042 176.117 -0.627 0.000 1.008 183 I CA -0.690 60.231 61.300 -0.632 0.000 1.104 183 I CB 1.688 39.272 38.000 -0.695 0.000 1.264 183 I HN 0.726 nan 8.210 nan 0.000 0.438 184 A N 3.079 125.715 122.820 -0.306 0.000 2.374 184 A HA 0.647 4.967 4.320 -0.001 0.000 0.305 184 A C 0.030 177.726 177.584 0.188 0.000 1.053 184 A CA -0.612 51.363 52.037 -0.103 0.000 0.726 184 A CB 1.100 20.060 19.000 -0.066 0.000 1.229 184 A HN 0.706 nan 8.150 nan 0.000 0.431 185 T N 0.497 115.195 114.554 0.241 0.000 4.313 185 T HA 0.467 4.816 4.350 -0.001 0.000 0.272 185 T C 0.242 175.003 174.700 0.101 0.000 1.298 185 T CA 0.234 62.492 62.100 0.263 0.000 1.124 185 T CB -1.326 67.721 68.868 0.299 0.000 1.352 185 T HN 1.042 nan 8.240 nan 0.000 1.013 186 T N -1.372 113.217 114.554 0.058 0.000 2.903 186 T HA 0.862 5.211 4.350 -0.001 0.000 0.299 186 T C -0.134 174.587 174.700 0.034 0.000 1.093 186 T CA -0.651 61.374 62.100 -0.126 0.000 1.002 186 T CB 2.212 70.906 68.868 -0.290 0.000 1.127 186 T HN 0.741 nan 8.240 nan 0.000 0.488 187 G N -0.341 108.483 108.800 0.040 0.000 2.488 187 G HA2 0.465 4.424 3.960 -0.001 0.000 0.301 187 G HA3 0.465 4.424 3.960 -0.001 0.000 0.301 187 G C -1.960 173.056 174.900 0.192 0.000 1.339 187 G CA -0.674 44.499 45.100 0.123 0.000 0.803 187 G HN 0.703 nan 8.290 nan 0.000 0.482 188 Y N 0.676 120.971 120.300 -0.010 0.000 2.721 188 Y HA 0.376 4.925 4.550 -0.001 0.000 0.251 188 Y C 1.616 177.488 175.900 -0.046 0.000 1.136 188 Y CA 0.335 58.415 58.100 -0.034 0.000 1.142 188 Y CB 0.442 38.860 38.460 -0.070 0.000 1.212 188 Y HN 0.708 nan 8.280 nan 0.000 0.565 189 T N -5.257 109.309 114.554 0.020 0.000 2.969 189 T HA 0.363 4.712 4.350 -0.001 0.000 0.258 189 T C 1.545 176.229 174.700 -0.028 0.000 0.962 189 T CA 0.469 62.545 62.100 -0.040 0.000 0.903 189 T CB 0.320 69.201 68.868 0.021 0.000 1.177 189 T HN 0.483 nan 8.240 nan 0.000 0.511 190 G N 1.195 109.995 108.800 0.000 0.000 2.175 190 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.244 190 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.244 190 G C -0.211 174.689 174.900 0.000 0.000 0.982 190 G CA 0.153 45.251 45.100 -0.002 0.000 0.641 190 G HN 0.609 nan 8.290 nan 0.000 0.527 191 E N -0.230 119.976 120.200 0.009 0.000 2.299 191 E HA 0.775 5.124 4.350 -0.001 0.000 0.260 191 E C 0.703 177.309 176.600 0.010 0.000 0.944 191 E CA -0.010 56.388 56.400 -0.004 0.000 0.815 191 E CB 1.510 31.200 29.700 -0.016 0.000 1.252 191 E HN 0.686 nan 8.360 nan 0.000 0.418 192 A N -0.102 122.708 122.820 -0.016 0.000 2.327 192 A HA 0.700 5.020 4.320 -0.001 0.000 0.255 192 A C 0.477 178.023 177.584 -0.063 0.000 1.099 192 A CA 0.728 52.747 52.037 -0.030 0.000 0.801 192 A CB 0.227 19.193 19.000 -0.056 0.000 1.062 192 A HN 0.617 nan 8.150 nan 0.000 0.496 193 G N -1.926 106.795 108.800 -0.132 0.000 2.356 193 G HA2 0.454 4.413 3.960 -0.001 0.000 0.300 193 G HA3 0.454 4.413 3.960 -0.001 0.000 0.300 193 G C -1.839 172.961 174.900 -0.166 0.000 1.331 193 G CA -0.801 44.201 45.100 -0.164 0.000 0.905 193 G HN 0.775 nan 8.290 nan 0.000 0.587 194 Y N 0.118 120.490 120.300 0.120 0.000 2.536 194 Y HA 0.661 5.211 4.550 -0.001 0.000 0.347 194 Y C 0.341 176.336 175.900 0.158 0.000 1.000 194 Y CA -1.158 57.025 58.100 0.138 0.000 1.051 194 Y CB 2.152 40.725 38.460 0.188 0.000 1.259 194 Y HN 0.528 nan 8.280 nan 0.000 0.468 195 E N 2.717 123.114 120.200 0.327 0.000 2.175 195 E HA 0.553 4.902 4.350 -0.001 0.000 0.278 195 E C -1.163 175.575 176.600 0.230 0.000 0.969 195 E CA -0.443 56.121 56.400 0.273 0.000 0.796 195 E CB 1.555 31.396 29.700 0.235 0.000 1.104 195 E HN 0.441 nan 8.360 nan 0.000 0.395 196 I N 2.464 123.191 120.570 0.262 0.000 2.382 196 I HA 0.403 4.572 4.170 -0.001 0.000 0.286 196 I C -0.279 175.945 176.117 0.178 0.000 1.002 196 I CA -0.707 60.704 61.300 0.186 0.000 1.135 196 I CB 1.682 39.837 38.000 0.258 0.000 1.288 196 I HN 0.440 nan 8.210 nan 0.000 0.448 197 A N 8.318 131.235 122.820 0.161 0.000 2.292 197 A HA 0.946 5.266 4.320 -0.001 0.000 0.319 197 A C -0.521 177.096 177.584 0.055 0.000 1.206 197 A CA -0.410 51.712 52.037 0.142 0.000 0.835 197 A CB 0.933 20.032 19.000 0.164 0.000 1.164 197 A HN 0.803 nan 8.150 nan 0.000 0.505 198 L N -0.379 120.866 121.223 0.036 0.000 2.600 198 L HA 0.780 5.120 4.340 -0.001 0.000 0.257 198 L C -3.181 173.701 176.870 0.019 0.000 1.048 198 L CA -2.621 52.209 54.840 -0.017 0.000 0.869 198 L CB 1.741 43.735 42.059 -0.107 0.000 1.482 198 L HN 0.278 nan 8.230 nan 0.000 0.408 199 P HA 0.203 nan 4.420 nan 0.000 0.268 199 P C -0.169 177.160 177.300 0.049 0.000 1.205 199 P CA -0.147 62.968 63.100 0.025 0.000 0.771 199 P CB 0.499 32.207 31.700 0.012 0.000 0.858 200 N N 2.527 121.263 118.700 0.059 0.000 2.091 200 N HA -0.209 4.530 4.740 -0.001 0.000 0.193 200 N C 1.329 176.880 175.510 0.068 0.000 1.021 200 N CA 1.448 54.543 53.050 0.074 0.000 0.862 200 N CB -0.412 38.120 38.487 0.075 0.000 1.018 200 N HN 0.607 nan 8.380 nan 0.000 0.429 201 E N 0.645 120.877 120.200 0.054 0.000 2.478 201 E HA -0.078 4.271 4.350 -0.001 0.000 0.198 201 E C 0.834 177.471 176.600 0.061 0.000 1.046 201 E CA 0.790 57.221 56.400 0.051 0.000 0.870 201 E CB -0.065 29.658 29.700 0.039 0.000 0.818 201 E HN 0.329 nan 8.360 nan 0.000 0.527 202 K N 0.173 120.614 120.400 0.067 0.000 2.354 202 K HA 0.271 4.590 4.320 -0.001 0.000 0.194 202 K C 1.995 178.681 176.600 0.142 0.000 1.038 202 K CA 0.504 56.843 56.287 0.087 0.000 1.052 202 K CB 0.419 32.950 32.500 0.052 0.000 0.861 202 K HN 0.116 nan 8.250 nan 0.000 0.535 203 A N 1.625 124.529 122.820 0.140 0.000 1.908 203 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 203 A C 2.348 180.075 177.584 0.238 0.000 1.181 203 A CA 2.063 54.223 52.037 0.205 0.000 0.627 203 A CB -0.665 18.429 19.000 0.157 0.000 0.818 203 A HN 0.303 nan 8.150 nan 0.000 0.445 204 A N -0.373 122.535 122.820 0.146 0.000 1.969 204 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 204 A C 1.762 179.469 177.584 0.204 0.000 1.169 204 A CA 1.875 53.987 52.037 0.124 0.000 0.635 204 A CB -0.540 18.493 19.000 0.055 0.000 0.810 204 A HN 0.451 nan 8.150 nan 0.000 0.445 205 D N -1.187 119.328 120.400 0.193 0.000 2.117 205 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 205 D C 1.544 177.999 176.300 0.258 0.000 0.987 205 D CA 1.021 55.136 54.000 0.192 0.000 0.829 205 D CB -0.355 40.542 40.800 0.161 0.000 0.961 205 D HN 0.412 nan 8.370 nan 0.000 0.460 206 F N 0.322 120.361 119.950 0.149 0.000 2.146 206 F HA -0.107 4.420 4.527 -0.001 0.000 0.298 206 F C 2.162 178.066 175.800 0.173 0.000 1.096 206 F CA 1.046 59.136 58.000 0.150 0.000 1.275 206 F CB -0.349 38.750 39.000 0.165 0.000 1.008 206 F HN 0.098 nan 8.300 nan 0.000 0.480 207 W N 1.638 122.970 121.300 0.054 0.000 2.355 207 W HA -0.232 4.428 4.660 -0.001 0.000 0.309 207 W C 2.350 178.811 176.519 -0.097 0.000 1.206 207 W CA 2.032 59.345 57.345 -0.054 0.000 1.284 207 W CB -0.627 28.830 29.460 -0.005 0.000 1.145 207 W HN 0.021 nan 8.180 nan 0.000 0.502 208 R N 0.319 120.948 120.500 0.214 0.000 2.096 208 R HA -0.207 4.133 4.340 -0.001 0.000 0.240 208 R C 2.550 178.797 176.300 -0.088 0.000 1.139 208 R CA 2.373 58.511 56.100 0.065 0.000 0.952 208 R CB -1.060 29.294 30.300 0.091 0.000 0.854 208 R HN 0.167 nan 8.270 nan 0.000 0.436 209 A N 1.080 123.842 122.820 -0.098 0.000 1.883 209 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 209 A C 2.210 179.615 177.584 -0.299 0.000 1.186 209 A CA 1.321 53.261 52.037 -0.163 0.000 0.624 209 A CB -0.623 18.301 19.000 -0.126 0.000 0.822 209 A HN 0.205 nan 8.150 nan 0.000 0.444 210 L N -0.690 120.257 121.223 -0.460 0.000 2.042 210 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 210 L C 2.555 179.154 176.870 -0.451 0.000 1.076 210 L CA 1.256 55.786 54.840 -0.517 0.000 0.749 210 L CB -0.659 41.010 42.059 -0.650 0.000 0.893 210 L HN 0.256 nan 8.230 nan 0.000 0.432 211 V N -0.383 119.244 119.914 -0.479 0.000 2.261 211 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 211 V C 2.638 178.583 176.094 -0.249 0.000 1.047 211 V CA 1.915 63.977 62.300 -0.396 0.000 1.015 211 V CB -0.503 31.118 31.823 -0.337 0.000 0.642 211 V HN 0.491 nan 8.190 nan 0.000 0.446 212 E N 0.696 120.778 120.200 -0.197 0.000 2.085 212 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 212 E C 2.063 178.576 176.600 -0.144 0.000 0.994 212 E CA 1.620 57.936 56.400 -0.139 0.000 0.801 212 E CB -0.230 29.408 29.700 -0.102 0.000 0.743 212 E HN 0.530 nan 8.360 nan 0.000 0.453 213 A N -0.251 122.462 122.820 -0.178 0.000 2.248 213 A HA 0.151 4.470 4.320 -0.001 0.000 0.210 213 A C 1.511 178.994 177.584 -0.167 0.000 1.174 213 A CA 1.292 53.229 52.037 -0.167 0.000 0.750 213 A CB -0.509 18.375 19.000 -0.194 0.000 0.780 213 A HN 0.417 nan 8.150 nan 0.000 0.478 214 G N -2.101 106.591 108.800 -0.179 0.000 2.131 214 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.201 214 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.201 214 G C -0.070 174.709 174.900 -0.202 0.000 1.000 214 G CA -0.060 44.941 45.100 -0.166 0.000 0.680 214 G HN 0.763 nan 8.290 nan 0.000 0.514 215 V N 1.205 120.958 119.914 -0.268 0.000 2.370 215 V HA 0.462 4.581 4.120 -0.001 0.000 0.279 215 V C 0.738 176.614 176.094 -0.364 0.000 1.029 215 V CA -0.629 61.486 62.300 -0.308 0.000 0.870 215 V CB 1.615 33.225 31.823 -0.355 0.000 0.984 215 V HN 0.384 nan 8.190 nan 0.000 0.451 216 K N 6.718 126.928 120.400 -0.316 0.000 2.276 216 K HA 0.376 4.696 4.320 -0.001 0.000 0.283 216 K C -2.582 173.750 176.600 -0.446 0.000 1.044 216 K CA -1.774 54.317 56.287 -0.326 0.000 0.944 216 K CB 1.200 33.565 32.500 -0.225 0.000 1.012 216 K HN 0.342 nan 8.250 nan 0.000 0.472 217 P HA 0.057 nan 4.420 nan 0.000 0.271 217 P C -1.063 175.887 177.300 -0.584 0.000 1.220 217 P CA -0.386 62.314 63.100 -0.667 0.000 0.768 217 P CB 0.628 31.740 31.700 -0.980 0.000 0.848 218 C N 3.419 122.512 119.300 -0.345 0.000 2.626 218 C HA 0.802 5.262 4.460 -0.001 0.000 0.310 218 C C 0.899 176.008 174.990 0.198 0.000 1.191 218 C CA -0.182 58.716 59.018 -0.201 0.000 1.517 218 C CB 1.680 28.893 27.740 -0.878 0.000 2.102 218 C HN 0.684 nan 8.230 nan 0.000 0.479 219 G N 0.927 109.948 108.800 0.368 0.000 2.887 219 G HA2 0.542 4.502 3.960 -0.001 0.000 0.277 219 G HA3 0.542 4.502 3.960 -0.001 0.000 0.277 219 G C 0.665 175.733 174.900 0.280 0.000 1.346 219 G CA -0.632 44.644 45.100 0.294 0.000 1.058 219 G HN 0.737 nan 8.290 nan 0.000 0.535 220 L N 0.326 121.571 121.223 0.038 0.000 2.187 220 L HA -0.045 4.295 4.340 -0.001 0.000 0.213 220 L C 2.933 179.803 176.870 0.001 0.000 1.100 220 L CA 1.229 56.016 54.840 -0.089 0.000 0.765 220 L CB -0.516 41.304 42.059 -0.398 0.000 0.904 220 L HN 0.669 nan 8.230 nan 0.000 0.437 221 G N -0.231 108.614 108.800 0.075 0.000 2.414 221 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.215 221 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.215 221 G C 1.788 176.768 174.900 0.132 0.000 1.188 221 G CA 0.710 45.866 45.100 0.093 0.000 0.783 221 G HN 0.440 nan 8.290 nan 0.000 0.537 222 A N 0.529 123.480 122.820 0.218 0.000 1.969 222 A HA 0.020 4.340 4.320 -0.001 0.000 0.218 222 A C 2.299 180.049 177.584 0.277 0.000 1.169 222 A CA 1.797 54.008 52.037 0.289 0.000 0.635 222 A CB -0.436 18.772 19.000 0.346 0.000 0.810 222 A HN 0.370 nan 8.150 nan 0.000 0.445 223 R N -0.222 120.435 120.500 0.263 0.000 2.083 223 R HA -0.222 4.118 4.340 -0.001 0.000 0.237 223 R C 1.895 178.169 176.300 -0.044 0.000 1.137 223 R CA 2.121 58.196 56.100 -0.042 0.000 0.951 223 R CB -0.443 29.736 30.300 -0.202 0.000 0.851 223 R HN 0.536 nan 8.270 nan 0.000 0.434 224 D N -0.880 119.528 120.400 0.013 0.000 2.097 224 D HA -0.124 4.515 4.640 -0.001 0.000 0.195 224 D C 1.521 177.811 176.300 -0.016 0.000 0.989 224 D CA 2.047 56.048 54.000 0.002 0.000 0.827 224 D CB -0.067 40.755 40.800 0.036 0.000 0.966 224 D HN 0.188 nan 8.370 nan 0.000 0.456 225 T N 0.151 114.725 114.554 0.033 0.000 2.684 225 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 225 T C 2.038 176.764 174.700 0.043 0.000 1.036 225 T CA 1.155 63.268 62.100 0.021 0.000 1.148 225 T CB -0.376 68.507 68.868 0.024 0.000 0.863 225 T HN 0.147 nan 8.240 nan 0.000 0.436 226 L N 0.990 122.270 121.223 0.094 0.000 2.046 226 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 226 L C 2.747 179.560 176.870 -0.095 0.000 1.077 226 L CA 1.529 56.394 54.840 0.041 0.000 0.747 226 L CB -0.516 41.554 42.059 0.020 0.000 0.896 226 L HN 0.284 nan 8.230 nan 0.000 0.432 227 R N 0.049 120.399 120.500 -0.250 0.000 2.115 227 R HA -0.139 4.200 4.340 -0.001 0.000 0.226 227 R C 2.015 178.184 176.300 -0.219 0.000 1.100 227 R CA 1.144 56.975 56.100 -0.448 0.000 0.980 227 R CB -1.113 28.508 30.300 -1.132 0.000 0.875 227 R HN 0.151 nan 8.270 nan 0.000 0.445 228 L N 1.489 122.637 121.223 -0.125 0.000 2.027 228 L HA -0.033 4.306 4.340 -0.001 0.000 0.206 228 L C 1.798 178.700 176.870 0.052 0.000 1.074 228 L CA 1.827 56.647 54.840 -0.034 0.000 0.745 228 L CB -0.762 41.255 42.059 -0.070 0.000 0.898 228 L HN 0.333 nan 8.230 nan 0.000 0.433 229 E N -0.217 119.977 120.200 -0.010 0.000 2.097 229 E HA -0.242 4.107 4.350 -0.001 0.000 0.196 229 E C 1.906 178.624 176.600 0.197 0.000 1.000 229 E CA 1.311 57.765 56.400 0.091 0.000 0.804 229 E CB -0.370 29.354 29.700 0.040 0.000 0.740 229 E HN 0.616 nan 8.360 nan 0.000 0.454 230 A N 0.369 123.229 122.820 0.066 0.000 2.239 230 A HA 0.156 4.476 4.320 -0.001 0.000 0.209 230 A C 1.697 179.295 177.584 0.023 0.000 1.171 230 A CA 0.860 52.913 52.037 0.026 0.000 0.768 230 A CB -0.607 18.373 19.000 -0.034 0.000 0.790 230 A HN 0.364 nan 8.150 nan 0.000 0.478 231 G N -1.439 107.419 108.800 0.097 0.000 2.160 231 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.251 231 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.251 231 G C 0.060 174.982 174.900 0.038 0.000 1.008 231 G CA 0.643 45.780 45.100 0.061 0.000 0.724 231 G HN 0.479 nan 8.290 nan 0.000 0.514 232 M N 0.343 119.945 119.600 0.004 0.000 2.318 232 M HA 0.371 4.850 4.480 -0.001 0.000 0.347 232 M C 0.169 176.528 176.300 0.098 0.000 1.175 232 M CA -0.918 54.397 55.300 0.026 0.000 1.075 232 M CB 0.949 33.516 32.600 -0.054 0.000 1.614 232 M HN 0.032 nan 8.290 nan 0.000 0.456 233 N N 2.027 120.857 118.700 0.216 0.000 2.508 233 N HA 0.324 5.063 4.740 -0.001 0.000 0.264 233 N C -1.200 174.507 175.510 0.328 0.000 1.216 233 N CA -0.374 52.821 53.050 0.242 0.000 0.943 233 N CB 0.806 39.447 38.487 0.256 0.000 1.113 233 N HN 0.436 nan 8.380 nan 0.000 0.447 234 L N 3.141 124.516 121.223 0.254 0.000 2.276 234 L HA 0.308 4.647 4.340 -0.001 0.000 0.286 234 L C -0.834 176.164 176.870 0.213 0.000 1.024 234 L CA -0.789 54.230 54.840 0.299 0.000 0.826 234 L CB 0.120 42.337 42.059 0.264 0.000 1.211 234 L HN 0.411 nan 8.230 nan 0.000 0.422 235 Y N 5.660 126.046 120.300 0.144 0.000 2.810 235 Y HA 0.319 4.869 4.550 -0.001 0.000 0.332 235 Y C 1.457 177.390 175.900 0.056 0.000 1.243 235 Y CA 1.732 59.872 58.100 0.067 0.000 1.537 235 Y CB 0.664 39.130 38.460 0.011 0.000 1.265 235 Y HN 0.926 nan 8.280 nan 0.000 0.572 236 G N 3.419 111.776 108.800 -0.738 0.000 2.258 236 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.233 236 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.233 236 G C 0.801 175.597 174.900 -0.173 0.000 1.006 236 G CA 0.592 45.473 45.100 -0.366 0.000 0.620 236 G HN 0.596 nan 8.290 nan 0.000 0.511 237 Q N -0.861 118.878 119.800 -0.102 0.000 2.652 237 Q HA 0.221 4.561 4.340 -0.001 0.000 0.211 237 Q C 2.015 177.997 176.000 -0.030 0.000 0.858 237 Q CA 0.675 56.465 55.803 -0.020 0.000 0.895 237 Q CB 0.060 28.829 28.738 0.051 0.000 1.194 237 Q HN 0.311 nan 8.270 nan 0.000 0.645 238 E N 0.551 120.747 120.200 -0.007 0.000 2.274 238 E HA -0.029 4.321 4.350 -0.001 0.000 0.194 238 E C 0.721 177.294 176.600 -0.044 0.000 0.996 238 E CA 0.861 57.265 56.400 0.007 0.000 0.840 238 E CB 0.298 30.037 29.700 0.065 0.000 0.772 238 E HN 0.255 nan 8.360 nan 0.000 0.491 239 M N -0.713 118.797 119.600 -0.151 0.000 2.682 239 M HA 0.520 4.999 4.480 -0.001 0.000 0.272 239 M C -1.778 174.212 176.300 -0.515 0.000 1.232 239 M CA -0.864 54.308 55.300 -0.213 0.000 0.849 239 M CB 1.909 34.449 32.600 -0.101 0.000 1.695 239 M HN -0.082 nan 8.290 nan 0.000 0.481 240 D N 0.203 120.384 120.400 -0.365 0.000 3.145 240 D HA 0.301 4.941 4.640 -0.001 0.000 0.345 240 D C -0.099 176.156 176.300 -0.076 0.000 1.391 240 D CA -0.286 53.481 54.000 -0.388 0.000 0.930 240 D CB 0.279 40.858 40.800 -0.370 0.000 1.451 240 D HN 0.595 nan 8.370 nan 0.000 0.555 241 E N -0.840 119.360 120.200 -0.000 0.000 2.331 241 E HA -0.035 4.315 4.350 -0.001 0.000 0.199 241 E C 1.445 178.027 176.600 -0.030 0.000 1.008 241 E CA 1.986 58.376 56.400 -0.017 0.000 0.843 241 E CB -0.316 29.373 29.700 -0.018 0.000 0.761 241 E HN 0.602 nan 8.360 nan 0.000 0.507 242 T N -2.051 112.482 114.554 -0.036 0.000 3.060 242 T HA 0.163 4.512 4.350 -0.001 0.000 0.249 242 T C 0.548 175.234 174.700 -0.024 0.000 1.079 242 T CA -0.207 61.879 62.100 -0.024 0.000 1.013 242 T CB 0.248 69.103 68.868 -0.022 0.000 0.975 242 T HN -0.139 nan 8.240 nan 0.000 0.518 243 I N 2.379 122.926 120.570 -0.037 0.000 2.378 243 I HA 0.448 4.617 4.170 -0.001 0.000 0.291 243 I C 0.423 176.528 176.117 -0.020 0.000 0.992 243 I CA -1.157 60.126 61.300 -0.028 0.000 1.154 243 I CB 1.271 39.245 38.000 -0.044 0.000 1.315 243 I HN 0.173 nan 8.210 nan 0.000 0.448 244 S N 8.177 123.876 115.700 -0.002 0.000 2.585 244 S HA 0.314 4.784 4.470 -0.001 0.000 0.273 244 S C -1.368 173.231 174.600 -0.003 0.000 1.339 244 S CA -0.836 57.365 58.200 0.003 0.000 1.028 244 S CB 0.914 64.131 63.200 0.029 0.000 0.906 244 S HN 0.459 nan 8.310 nan 0.000 0.528 245 P HA -0.050 nan 4.420 nan 0.000 0.220 245 P C 1.538 178.837 177.300 -0.001 0.000 1.148 245 P CA 0.993 64.066 63.100 -0.045 0.000 0.803 245 P CB -0.159 31.464 31.700 -0.127 0.000 0.782 246 L N -0.569 120.675 121.223 0.036 0.000 2.081 246 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 246 L C 2.240 179.152 176.870 0.070 0.000 1.080 246 L CA 1.785 56.674 54.840 0.082 0.000 0.754 246 L CB -1.225 40.908 42.059 0.123 0.000 0.893 246 L HN -0.031 nan 8.230 nan 0.000 0.433 247 A N -0.732 122.119 122.820 0.051 0.000 2.337 247 A HA 0.481 4.800 4.320 -0.001 0.000 0.227 247 A C 1.439 179.049 177.584 0.043 0.000 1.259 247 A CA 0.695 52.759 52.037 0.045 0.000 0.870 247 A CB -0.205 18.817 19.000 0.037 0.000 0.927 247 A HN 0.318 nan 8.150 nan 0.000 0.497 248 A N -0.302 122.548 122.820 0.050 0.000 2.594 248 A HA 0.454 4.773 4.320 -0.001 0.000 0.292 248 A C 0.502 178.147 177.584 0.103 0.000 1.026 248 A CA 0.141 52.214 52.037 0.061 0.000 0.983 248 A CB -0.534 18.489 19.000 0.040 0.000 1.233 248 A HN 0.583 nan 8.150 nan 0.000 0.519 249 N N -0.564 118.205 118.700 0.115 0.000 2.727 249 N HA -0.200 4.540 4.740 -0.001 0.000 0.249 249 N C 0.250 175.927 175.510 0.279 0.000 1.048 249 N CA 1.642 54.802 53.050 0.183 0.000 0.714 249 N CB -1.547 37.038 38.487 0.162 0.000 0.959 249 N HN 0.619 nan 8.380 nan 0.000 0.544 250 M N -1.818 117.859 119.600 0.129 0.000 2.412 250 M HA 0.278 4.757 4.480 -0.001 0.000 0.315 250 M C 1.850 178.022 176.300 -0.214 0.000 1.092 250 M CA 0.343 55.597 55.300 -0.077 0.000 0.974 250 M CB 0.515 33.038 32.600 -0.129 0.000 1.437 250 M HN 0.294 nan 8.290 nan 0.000 0.524 251 G N 1.316 110.129 108.800 0.022 0.000 2.432 251 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.219 251 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.219 251 G C 1.219 176.138 174.900 0.032 0.000 1.135 251 G CA 0.572 45.705 45.100 0.055 0.000 0.767 251 G HN 0.779 nan 8.290 nan 0.000 0.550 252 W N 2.000 123.308 121.300 0.012 0.000 2.421 252 W HA -0.060 4.599 4.660 -0.001 0.000 0.270 252 W C 1.518 177.998 176.519 -0.066 0.000 1.233 252 W CA 1.615 58.957 57.345 -0.006 0.000 1.226 252 W CB -1.293 28.165 29.460 -0.004 0.000 1.121 252 W HN 0.295 nan 8.180 nan 0.000 0.579 253 T N -1.301 112.719 114.554 -0.890 0.000 3.107 253 T HA 0.158 4.507 4.350 -0.001 0.000 0.249 253 T C 0.806 175.117 174.700 -0.648 0.000 1.096 253 T CA -0.129 61.437 62.100 -0.890 0.000 1.012 253 T CB -0.423 67.764 68.868 -1.136 0.000 0.977 253 T HN -0.133 nan 8.240 nan 0.000 0.527 254 I N 2.727 122.933 120.570 -0.607 0.000 2.379 254 I HA 0.384 4.554 4.170 -0.001 0.000 0.290 254 I C 0.720 176.382 176.117 -0.759 0.000 1.063 254 I CA -1.022 59.788 61.300 -0.817 0.000 1.351 254 I CB -0.058 37.301 38.000 -1.069 0.000 1.410 254 I HN 0.270 nan 8.210 nan 0.000 0.505 255 A N 7.084 129.502 122.820 -0.670 0.000 3.015 255 A HA 0.207 4.527 4.320 -0.001 0.000 0.293 255 A C 0.780 178.256 177.584 -0.179 0.000 1.572 255 A CA -0.619 51.202 52.037 -0.359 0.000 1.274 255 A CB -0.524 18.296 19.000 -0.299 0.000 1.156 255 A HN 0.823 nan 8.150 nan 0.000 0.562 256 W N 0.766 122.068 121.300 0.003 0.000 2.342 256 W HA -0.082 4.577 4.660 -0.001 0.000 0.297 256 W C 0.772 177.337 176.519 0.077 0.000 1.213 256 W CA 0.653 58.049 57.345 0.086 0.000 1.251 256 W CB 0.217 29.713 29.460 0.060 0.000 1.136 256 W HN 0.414 nan 8.180 nan 0.000 0.526 257 E N 0.991 121.343 120.200 0.253 0.000 2.175 257 E HA 0.214 4.564 4.350 -0.001 0.000 0.278 257 E C -2.066 174.586 176.600 0.086 0.000 0.969 257 E CA -2.040 54.451 56.400 0.152 0.000 0.796 257 E CB 0.729 30.502 29.700 0.122 0.000 1.104 257 E HN -0.143 nan 8.360 nan 0.000 0.395 258 P HA 0.175 nan 4.420 nan 0.000 0.279 258 P C 0.148 177.519 177.300 0.117 0.000 1.239 258 P CA -0.230 62.921 63.100 0.085 0.000 0.789 258 P CB 1.181 32.919 31.700 0.063 0.000 0.933 259 A N 2.821 125.708 122.820 0.113 0.000 2.019 259 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 259 A C 1.481 179.129 177.584 0.106 0.000 1.164 259 A CA 1.679 53.792 52.037 0.126 0.000 0.644 259 A CB -0.911 18.144 19.000 0.092 0.000 0.805 259 A HN 0.652 nan 8.150 nan 0.000 0.449 260 D N -0.718 119.733 120.400 0.085 0.000 2.349 260 D HA -0.071 4.568 4.640 -0.001 0.000 0.224 260 D C 0.822 177.174 176.300 0.087 0.000 1.029 260 D CA -0.131 53.913 54.000 0.072 0.000 0.879 260 D CB -0.467 40.366 40.800 0.055 0.000 0.906 260 D HN 0.419 nan 8.370 nan 0.000 0.528 261 R N 1.217 121.787 120.500 0.116 0.000 2.248 261 R HA 0.123 4.462 4.340 -0.001 0.000 0.337 261 R C -0.867 175.544 176.300 0.186 0.000 1.106 261 R CA -0.562 55.625 56.100 0.144 0.000 0.959 261 R CB 0.101 30.484 30.300 0.139 0.000 1.075 261 R HN -0.172 nan 8.270 nan 0.000 0.480 262 D N 4.243 124.738 120.400 0.157 0.000 2.345 262 D HA 0.159 4.799 4.640 -0.001 0.000 0.247 262 D C -0.806 175.655 176.300 0.268 0.000 1.108 262 D CA 0.190 54.264 54.000 0.124 0.000 0.894 262 D CB 0.450 41.335 40.800 0.141 0.000 1.203 262 D HN 0.381 nan 8.370 nan 0.000 0.430 263 F N 0.648 120.630 119.950 0.054 0.000 2.626 263 F HA 0.526 5.053 4.527 -0.001 0.000 0.311 263 F C -0.663 174.971 175.800 -0.277 0.000 1.088 263 F CA -1.379 56.513 58.000 -0.180 0.000 0.949 263 F CB 0.489 39.356 39.000 -0.221 0.000 1.322 263 F HN 0.097 nan 8.300 nan 0.000 0.461 264 I N 2.350 122.713 120.570 -0.344 0.000 2.598 264 I HA 0.357 4.527 4.170 -0.001 0.000 0.284 264 I C 1.184 177.250 176.117 -0.084 0.000 1.140 264 I CA 1.056 62.202 61.300 -0.257 0.000 1.420 264 I CB 0.402 38.261 38.000 -0.234 0.000 1.387 264 I HN 1.133 nan 8.210 nan 0.000 0.553 265 G N 5.020 113.747 108.800 -0.122 0.000 2.195 265 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.246 265 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.246 265 G C 1.268 176.029 174.900 -0.230 0.000 0.984 265 G CA 0.467 45.512 45.100 -0.093 0.000 0.633 265 G HN 0.706 nan 8.290 nan 0.000 0.525 266 R N 0.890 120.978 120.500 -0.688 0.000 2.083 266 R HA -0.072 4.268 4.340 -0.001 0.000 0.237 266 R C 2.303 178.473 176.300 -0.217 0.000 1.137 266 R CA 2.148 57.747 56.100 -0.836 0.000 0.951 266 R CB -0.435 29.113 30.300 -1.254 0.000 0.851 266 R HN 0.619 nan 8.270 nan 0.000 0.434 267 E N -0.002 120.102 120.200 -0.161 0.000 2.070 267 E HA -0.238 4.112 4.350 -0.001 0.000 0.197 267 E C 2.010 178.612 176.600 0.004 0.000 1.004 267 E CA 1.432 57.804 56.400 -0.047 0.000 0.805 267 E CB -0.209 29.469 29.700 -0.037 0.000 0.744 267 E HN 0.535 nan 8.360 nan 0.000 0.451 268 A N 1.013 123.831 122.820 -0.002 0.000 1.898 268 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 268 A C 2.143 179.773 177.584 0.077 0.000 1.181 268 A CA 0.967 53.020 52.037 0.027 0.000 0.620 268 A CB -0.427 18.582 19.000 0.016 0.000 0.819 268 A HN 0.097 nan 8.150 nan 0.000 0.442 269 L N 0.231 121.520 121.223 0.111 0.000 2.046 269 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 269 L C 2.482 179.574 176.870 0.371 0.000 1.077 269 L CA 1.788 56.780 54.840 0.254 0.000 0.747 269 L CB -0.717 41.503 42.059 0.269 0.000 0.896 269 L HN 0.414 nan 8.230 nan 0.000 0.432 270 E N -0.679 119.702 120.200 0.301 0.000 2.051 270 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 270 E C 2.299 178.946 176.600 0.078 0.000 0.991 270 E CA 1.488 57.989 56.400 0.168 0.000 0.799 270 E CB -0.482 29.283 29.700 0.108 0.000 0.748 270 E HN 0.325 nan 8.360 nan 0.000 0.449 271 V N 1.621 121.588 119.914 0.088 0.000 2.287 271 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 271 V C 2.457 178.624 176.094 0.121 0.000 1.053 271 V CA 2.021 64.373 62.300 0.088 0.000 1.027 271 V CB -0.615 31.226 31.823 0.030 0.000 0.646 271 V HN 0.250 nan 8.190 nan 0.000 0.447 272 Q N -0.638 119.230 119.800 0.114 0.000 2.119 272 Q HA -0.211 4.129 4.340 -0.001 0.000 0.201 272 Q C 2.487 178.559 176.000 0.119 0.000 0.972 272 Q CA 1.676 57.550 55.803 0.118 0.000 0.847 272 Q CB -0.239 28.571 28.738 0.119 0.000 0.903 272 Q HN 0.551 nan 8.270 nan 0.000 0.433 273 R N 0.792 121.353 120.500 0.101 0.000 2.081 273 R HA -0.200 4.140 4.340 -0.001 0.000 0.235 273 R C 1.924 178.195 176.300 -0.048 0.000 1.131 273 R CA 1.613 57.711 56.100 -0.002 0.000 0.960 273 R CB 0.024 30.180 30.300 -0.240 0.000 0.856 273 R HN 0.186 nan 8.270 nan 0.000 0.436 274 E N -0.950 119.234 120.200 -0.026 0.000 2.077 274 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 274 E C 1.155 177.663 176.600 -0.152 0.000 0.989 274 E CA 1.748 58.099 56.400 -0.081 0.000 0.800 274 E CB 0.105 29.807 29.700 0.004 0.000 0.746 274 E HN 0.516 nan 8.360 nan 0.000 0.452 275 H N -1.680 117.378 119.070 -0.019 0.000 2.740 275 H HA 0.380 4.936 4.556 -0.001 0.000 0.265 275 H C 0.293 175.622 175.328 0.001 0.000 0.978 275 H CA 0.531 56.574 56.048 -0.007 0.000 1.198 275 H CB 1.458 31.220 29.762 -0.000 0.000 1.467 275 H HN 0.273 nan 8.280 nan 0.000 0.511 276 G N 0.409 109.270 108.800 0.102 0.000 2.663 276 G HA2 0.004 3.963 3.960 -0.001 0.000 0.686 276 G HA3 0.004 3.963 3.960 -0.001 0.000 0.686 276 G C -0.123 174.820 174.900 0.072 0.000 1.246 276 G CA -0.443 44.696 45.100 0.065 0.000 0.795 276 G HN 0.565 nan 8.290 nan 0.000 0.627 277 T N -1.821 112.768 114.554 0.059 0.000 2.864 277 T HA 0.768 5.117 4.350 -0.001 0.000 0.289 277 T C 0.192 174.919 174.700 0.044 0.000 1.082 277 T CA -0.162 61.972 62.100 0.056 0.000 1.009 277 T CB 2.070 70.976 68.868 0.064 0.000 1.234 277 T HN 0.850 nan 8.240 nan 0.000 0.526 278 E N 0.849 121.075 120.200 0.043 0.000 2.468 278 E HA 0.194 4.544 4.350 -0.001 0.000 0.263 278 E C -0.219 176.403 176.600 0.037 0.000 1.192 278 E CA -0.137 56.287 56.400 0.041 0.000 1.016 278 E CB 0.353 30.081 29.700 0.047 0.000 0.980 278 E HN 0.354 nan 8.360 nan 0.000 0.467 279 K N 0.932 121.349 120.400 0.029 0.000 2.469 279 K HA 0.365 4.685 4.320 -0.001 0.000 0.254 279 K C -1.027 175.585 176.600 0.020 0.000 0.939 279 K CA -1.047 55.253 56.287 0.021 0.000 0.812 279 K CB 1.844 34.342 32.500 -0.003 0.000 1.301 279 K HN 0.228 nan 8.250 nan 0.000 0.433 280 L N 2.932 124.172 121.223 0.028 0.000 2.264 280 L HA 0.334 4.674 4.340 -0.001 0.000 0.289 280 L C -0.504 176.370 176.870 0.006 0.000 1.044 280 L CA -0.435 54.424 54.840 0.031 0.000 0.807 280 L CB 1.113 43.205 42.059 0.054 0.000 1.192 280 L HN 0.454 nan 8.230 nan 0.000 0.425 281 V N 2.045 121.957 119.914 -0.003 0.000 3.046 281 V HA 1.003 5.122 4.120 -0.001 0.000 0.316 281 V C 0.203 176.294 176.094 -0.006 0.000 1.104 281 V CA -0.318 61.959 62.300 -0.038 0.000 1.006 281 V CB 1.318 33.102 31.823 -0.066 0.000 1.058 281 V HN 0.790 nan 8.190 nan 0.000 0.440 282 G N 0.939 109.704 108.800 -0.059 0.000 2.437 282 G HA2 0.706 4.666 3.960 -0.001 0.000 0.319 282 G HA3 0.706 4.666 3.960 -0.001 0.000 0.319 282 G C -1.074 173.917 174.900 0.152 0.000 1.158 282 G CA -0.869 44.278 45.100 0.078 0.000 0.899 282 G HN 0.871 nan 8.290 nan 0.000 0.502 283 L N 0.136 121.539 121.223 0.300 0.000 2.354 283 L HA 0.711 5.051 4.340 -0.001 0.000 0.264 283 L C -0.673 176.324 176.870 0.210 0.000 1.008 283 L CA -1.177 53.770 54.840 0.178 0.000 0.819 283 L CB 2.480 44.596 42.059 0.095 0.000 1.339 283 L HN 0.214 nan 8.230 nan 0.000 0.420 284 V N 2.366 122.344 119.914 0.106 0.000 2.577 284 V HA 0.458 4.577 4.120 -0.001 0.000 0.303 284 V C -0.595 175.470 176.094 -0.048 0.000 1.042 284 V CA -0.318 62.005 62.300 0.039 0.000 0.872 284 V CB 2.078 33.937 31.823 0.059 0.000 0.998 284 V HN 0.760 nan 8.190 nan 0.000 0.423 285 M N 3.996 123.564 119.600 -0.053 0.000 2.125 285 M HA 0.304 4.783 4.480 -0.001 0.000 0.321 285 M C 1.078 177.312 176.300 -0.110 0.000 0.983 285 M CA -0.399 54.862 55.300 -0.065 0.000 0.934 285 M CB 1.931 34.530 32.600 -0.002 0.000 1.542 285 M HN 0.887 nan 8.290 nan 0.000 0.424 286 T N 0.010 114.422 114.554 -0.237 0.000 3.014 286 T HA 0.066 4.415 4.350 -0.001 0.000 0.263 286 T C 0.659 175.361 174.700 0.003 0.000 1.078 286 T CA 0.214 62.143 62.100 -0.285 0.000 1.135 286 T CB -0.100 68.485 68.868 -0.471 0.000 0.895 286 T HN 0.717 nan 8.240 nan 0.000 0.480 287 E N 1.931 122.127 120.200 -0.006 0.000 2.374 287 E HA 0.185 4.535 4.350 -0.001 0.000 0.260 287 E C -0.443 176.191 176.600 0.057 0.000 1.101 287 E CA -0.665 55.754 56.400 0.031 0.000 0.907 287 E CB 0.738 30.445 29.700 0.012 0.000 1.014 287 E HN 0.023 nan 8.360 nan 0.000 0.427 288 K N 0.359 120.791 120.400 0.052 0.000 2.380 288 K HA 0.375 4.694 4.320 -0.001 0.000 0.267 288 K C 0.517 177.139 176.600 0.036 0.000 0.990 288 K CA 0.861 57.176 56.287 0.046 0.000 0.946 288 K CB 0.184 32.699 32.500 0.025 0.000 0.937 288 K HN 0.880 nan 8.250 nan 0.000 0.491 289 G N -0.802 108.018 108.800 0.033 0.000 2.375 289 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.663 289 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.663 289 G C -1.561 173.363 174.900 0.040 0.000 1.391 289 G CA -1.001 44.117 45.100 0.029 0.000 0.949 289 G HN 0.289 nan 8.290 nan 0.000 0.646 290 V N 1.687 121.621 119.914 0.033 0.000 2.334 290 V HA 0.490 4.610 4.120 -0.001 0.000 0.281 290 V C 0.734 176.851 176.094 0.037 0.000 1.016 290 V CA -0.659 61.663 62.300 0.037 0.000 0.832 290 V CB 1.226 33.064 31.823 0.024 0.000 0.999 290 V HN 0.657 nan 8.190 nan 0.000 0.439 291 L N 5.908 127.155 121.223 0.042 0.000 2.313 291 L HA 0.565 4.905 4.340 -0.001 0.000 0.282 291 L C 0.336 177.225 176.870 0.032 0.000 1.092 291 L CA 0.071 54.931 54.840 0.034 0.000 0.831 291 L CB 0.690 42.764 42.059 0.026 0.000 1.159 291 L HN 0.668 nan 8.230 nan 0.000 0.442 292 R N 2.539 123.059 120.500 0.034 0.000 2.854 292 R HA 0.367 4.706 4.340 -0.001 0.000 0.271 292 R C -0.632 175.691 176.300 0.038 0.000 0.994 292 R CA -0.922 55.199 56.100 0.036 0.000 0.945 292 R CB 1.289 31.610 30.300 0.035 0.000 1.194 292 R HN 0.499 nan 8.270 nan 0.000 0.476 293 N N 2.871 121.596 118.700 0.042 0.000 2.292 293 N HA -0.070 4.670 4.740 -0.001 0.000 0.258 293 N C -0.508 175.026 175.510 0.039 0.000 1.261 293 N CA 1.115 54.191 53.050 0.043 0.000 0.845 293 N CB 0.162 38.679 38.487 0.049 0.000 1.064 293 N HN 0.827 nan 8.380 nan 0.000 0.471 294 E N -2.408 117.814 120.200 0.038 0.000 4.129 294 E HA -0.219 4.131 4.350 -0.001 0.000 0.354 294 E C -0.667 175.954 176.600 0.035 0.000 0.673 294 E CA 0.232 56.652 56.400 0.034 0.000 1.347 294 E CB -1.104 28.615 29.700 0.031 0.000 1.722 294 E HN 0.255 nan 8.360 nan 0.000 0.410 295 L N 2.006 123.252 121.223 0.037 0.000 2.456 295 L HA 0.189 4.528 4.340 -0.001 0.000 0.272 295 L C -1.873 175.023 176.870 0.043 0.000 1.189 295 L CA -0.920 53.943 54.840 0.038 0.000 0.846 295 L CB -0.473 41.608 42.059 0.038 0.000 1.111 295 L HN -0.170 nan 8.230 nan 0.000 0.475 296 P HA 0.197 nan 4.420 nan 0.000 0.275 296 P C -1.056 176.282 177.300 0.063 0.000 1.228 296 P CA -0.214 62.915 63.100 0.048 0.000 0.786 296 P CB 0.843 32.565 31.700 0.036 0.000 0.927 297 V N 4.673 124.638 119.914 0.086 0.000 2.483 297 V HA 0.455 4.574 4.120 -0.001 0.000 0.297 297 V C 0.195 176.385 176.094 0.160 0.000 1.027 297 V CA -0.531 61.841 62.300 0.121 0.000 0.855 297 V CB 1.509 33.413 31.823 0.136 0.000 0.995 297 V HN 0.457 nan 8.190 nan 0.000 0.424 298 R N 4.485 125.080 120.500 0.159 0.000 2.621 298 R HA 0.805 5.145 4.340 -0.001 0.000 0.292 298 R C -1.273 175.167 176.300 0.233 0.000 0.969 298 R CA -0.462 55.710 56.100 0.120 0.000 0.887 298 R CB 2.625 32.946 30.300 0.035 0.000 1.180 298 R HN 0.712 nan 8.270 nan 0.000 0.450 299 F N -2.214 117.776 119.950 0.066 0.000 2.715 299 F HA 0.535 5.062 4.527 -0.001 0.000 0.318 299 F C 0.148 175.998 175.800 0.084 0.000 1.141 299 F CA -0.940 57.098 58.000 0.064 0.000 0.950 299 F CB 1.350 40.387 39.000 0.062 0.000 1.374 299 F HN 0.250 nan 8.300 nan 0.000 0.477 300 T N -0.733 113.949 114.554 0.214 0.000 2.978 300 T HA 0.189 4.539 4.350 -0.001 0.000 0.248 300 T C -0.853 173.957 174.700 0.183 0.000 1.018 300 T CA 1.049 63.194 62.100 0.076 0.000 1.026 300 T CB -0.313 68.584 68.868 0.048 0.000 1.032 300 T HN 1.100 nan 8.240 nan 0.000 0.485 301 D N 0.603 121.212 120.400 0.350 0.000 10.737 301 D HA -0.148 4.492 4.640 -0.001 0.000 0.342 301 D C 0.744 177.137 176.300 0.155 0.000 3.138 301 D CA 0.489 54.667 54.000 0.297 0.000 2.684 301 D CB -0.671 40.358 40.800 0.383 0.000 1.221 301 D HN 0.224 nan 8.370 nan 0.000 0.944 302 A N 2.211 125.102 122.820 0.119 0.000 1.902 302 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 302 A C 2.049 179.669 177.584 0.059 0.000 1.181 302 A CA 2.175 54.256 52.037 0.073 0.000 0.623 302 A CB -0.543 18.490 19.000 0.055 0.000 0.818 302 A HN 0.626 nan 8.150 nan 0.000 0.443 303 Q N -1.174 118.666 119.800 0.067 0.000 2.541 303 Q HA 0.189 4.529 4.340 -0.001 0.000 0.215 303 Q C 1.136 177.155 176.000 0.032 0.000 0.977 303 Q CA 0.397 56.228 55.803 0.047 0.000 0.934 303 Q CB -0.263 28.508 28.738 0.054 0.000 0.988 303 Q HN 0.912 nan 8.270 nan 0.000 0.521 304 G N 1.053 109.874 108.800 0.034 0.000 2.162 304 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.260 304 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.260 304 G C -0.221 174.666 174.900 -0.022 0.000 0.976 304 G CA -0.141 44.965 45.100 0.010 0.000 0.655 304 G HN 0.282 nan 8.290 nan 0.000 0.533 305 N N 0.677 119.360 118.700 -0.028 0.000 2.426 305 N HA 0.403 5.142 4.740 -0.001 0.000 0.275 305 N C 0.236 175.574 175.510 -0.286 0.000 1.019 305 N CA -0.223 52.742 53.050 -0.141 0.000 0.941 305 N CB 1.465 39.878 38.487 -0.124 0.000 1.123 305 N HN 0.712 nan 8.380 nan 0.000 0.486 306 Q N 2.485 122.068 119.800 -0.361 0.000 2.327 306 Q HA 0.148 4.488 4.340 -0.001 0.000 0.254 306 Q C -0.954 174.599 176.000 -0.744 0.000 0.952 306 Q CA 0.004 55.551 55.803 -0.425 0.000 0.884 306 Q CB 0.608 29.199 28.738 -0.245 0.000 1.224 306 Q HN 0.506 nan 8.270 nan 0.000 0.422 307 H N 2.232 120.953 119.070 -0.582 0.000 2.928 307 H HA 0.409 4.964 4.556 -0.001 0.000 0.371 307 H C -1.282 173.783 175.328 -0.438 0.000 1.186 307 H CA -0.736 54.950 56.048 -0.603 0.000 1.134 307 H CB 2.120 31.268 29.762 -1.024 0.000 1.824 307 H HN 0.764 nan 8.280 nan 0.000 0.554 308 E N 0.758 120.931 120.200 -0.045 0.000 2.246 308 E HA 0.473 4.823 4.350 -0.001 0.000 0.266 308 E C -0.810 175.852 176.600 0.103 0.000 0.880 308 E CA -0.688 55.726 56.400 0.023 0.000 0.762 308 E CB 2.099 31.800 29.700 0.001 0.000 1.180 308 E HN 0.838 nan 8.360 nan 0.000 0.416 309 G N 3.166 112.055 108.800 0.148 0.000 3.107 309 G HA2 0.738 4.698 3.960 -0.001 0.000 0.232 309 G HA3 0.738 4.698 3.960 -0.001 0.000 0.232 309 G C -1.091 173.867 174.900 0.098 0.000 1.339 309 G CA -0.562 44.623 45.100 0.142 0.000 1.033 309 G HN 0.526 nan 8.290 nan 0.000 0.567 310 I N -0.876 119.744 120.570 0.084 0.000 2.841 310 I HA 0.428 4.597 4.170 -0.001 0.000 0.298 310 I C -0.994 175.159 176.117 0.061 0.000 1.304 310 I CA -1.069 60.269 61.300 0.064 0.000 1.019 310 I CB 2.268 40.297 38.000 0.050 0.000 1.282 310 I HN 0.353 nan 8.210 nan 0.000 0.432 311 I N 5.692 126.295 120.570 0.056 0.000 2.533 311 I HA 0.058 4.227 4.170 -0.001 0.000 0.284 311 I C 1.373 177.519 176.117 0.049 0.000 1.109 311 I CA 0.288 61.621 61.300 0.055 0.000 1.412 311 I CB 1.472 39.502 38.000 0.050 0.000 1.396 311 I HN 0.737 nan 8.210 nan 0.000 0.543 312 T N 0.748 115.334 114.554 0.052 0.000 2.939 312 T HA 0.106 4.456 4.350 -0.001 0.000 0.254 312 T C 0.623 175.353 174.700 0.050 0.000 1.041 312 T CA 0.116 62.243 62.100 0.045 0.000 1.142 312 T CB 0.180 69.074 68.868 0.043 0.000 0.874 312 T HN 0.497 nan 8.240 nan 0.000 0.452 313 S N -0.233 115.501 115.700 0.056 0.000 2.546 313 S HA 0.683 5.153 4.470 -0.001 0.000 0.272 313 S C -0.425 174.195 174.600 0.033 0.000 1.140 313 S CA -0.925 57.306 58.200 0.051 0.000 0.920 313 S CB 2.061 65.296 63.200 0.058 0.000 1.083 313 S HN 0.728 nan 8.310 nan 0.000 0.476 314 G N 0.405 109.218 108.800 0.022 0.000 2.495 314 G HA2 0.724 4.683 3.960 -0.001 0.000 0.318 314 G HA3 0.724 4.683 3.960 -0.001 0.000 0.318 314 G C -1.032 173.860 174.900 -0.013 0.000 1.257 314 G CA -0.555 44.544 45.100 -0.002 0.000 0.962 314 G HN 0.644 nan 8.290 nan 0.000 0.483 315 T N 0.086 114.608 114.554 -0.053 0.000 2.843 315 T HA 0.520 4.869 4.350 -0.001 0.000 0.302 315 T C -1.596 173.092 174.700 -0.020 0.000 1.232 315 T CA -0.552 61.528 62.100 -0.034 0.000 1.009 315 T CB 1.289 70.118 68.868 -0.066 0.000 1.254 315 T HN 0.442 nan 8.240 nan 0.000 0.504 316 F N 3.193 123.083 119.950 -0.100 0.000 2.444 316 F HA 0.554 5.080 4.527 -0.001 0.000 0.360 316 F C 0.576 176.275 175.800 -0.167 0.000 1.106 316 F CA -0.235 57.698 58.000 -0.111 0.000 1.170 316 F CB 0.743 39.691 39.000 -0.087 0.000 1.113 316 F HN 0.384 nan 8.300 nan 0.000 0.521 317 S N 8.294 123.445 115.700 -0.915 0.000 2.422 317 S HA 0.299 4.769 4.470 -0.001 0.000 0.283 317 S C -1.702 172.280 174.600 -1.030 0.000 1.163 317 S CA -1.408 56.319 58.200 -0.788 0.000 1.054 317 S CB 0.822 63.700 63.200 -0.537 0.000 0.967 317 S HN 0.543 nan 8.310 nan 0.000 0.499 318 P HA -0.006 nan 4.420 nan 0.000 0.220 318 P C 1.396 178.608 177.300 -0.147 0.000 1.152 318 P CA 0.883 63.823 63.100 -0.267 0.000 0.812 318 P CB -0.013 31.582 31.700 -0.174 0.000 0.792 319 T N -0.156 114.356 114.554 -0.070 0.000 2.720 319 T HA -0.118 4.231 4.350 -0.001 0.000 0.268 319 T C 1.552 176.195 174.700 -0.096 0.000 1.037 319 T CA 1.267 63.365 62.100 -0.004 0.000 1.144 319 T CB -0.758 68.148 68.868 0.064 0.000 0.864 319 T HN -0.013 nan 8.240 nan 0.000 0.444 320 L N 0.163 121.275 121.223 -0.185 0.000 2.270 320 L HA 0.331 4.671 4.340 -0.001 0.000 0.210 320 L C 1.925 178.520 176.870 -0.459 0.000 1.104 320 L CA 0.927 55.633 54.840 -0.222 0.000 0.804 320 L CB -0.836 41.155 42.059 -0.114 0.000 0.937 320 L HN 0.477 nan 8.230 nan 0.000 0.450 321 G N -1.249 107.251 108.800 -0.499 0.000 2.273 321 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.280 321 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.280 321 G C -0.368 174.168 174.900 -0.605 0.000 1.047 321 G CA 0.327 45.130 45.100 -0.494 0.000 0.869 321 G HN 0.219 nan 8.290 nan 0.000 0.502 322 Y N -0.983 119.057 120.300 -0.433 0.000 2.571 322 Y HA 0.614 5.164 4.550 -0.001 0.000 0.341 322 Y C 0.562 176.265 175.900 -0.329 0.000 1.076 322 Y CA -1.438 56.553 58.100 -0.182 0.000 1.029 322 Y CB 1.287 39.684 38.460 -0.105 0.000 1.308 322 Y HN 0.124 nan 8.280 nan 0.000 0.461 323 S N 3.370 119.162 115.700 0.152 0.000 2.537 323 S HA 0.449 4.919 4.470 -0.001 0.000 0.286 323 S C -0.186 174.374 174.600 -0.067 0.000 1.299 323 S CA -0.133 58.102 58.200 0.059 0.000 1.067 323 S CB -0.612 62.660 63.200 0.120 0.000 0.864 323 S HN 0.495 nan 8.310 nan 0.000 0.494 324 I N -0.276 120.176 120.570 -0.198 0.000 3.042 324 I HA 1.009 5.178 4.170 -0.001 0.000 0.310 324 I C -0.658 175.305 176.117 -0.257 0.000 1.117 324 I CA -1.339 59.746 61.300 -0.358 0.000 1.003 324 I CB 2.208 39.643 38.000 -0.943 0.000 1.228 324 I HN 0.574 nan 8.210 nan 0.000 0.443 325 A N 4.263 126.995 122.820 -0.146 0.000 2.547 325 A HA 0.739 5.059 4.320 -0.001 0.000 0.297 325 A C -1.422 176.286 177.584 0.206 0.000 1.056 325 A CA -0.611 51.444 52.037 0.031 0.000 0.688 325 A CB 1.527 20.558 19.000 0.052 0.000 1.282 325 A HN 0.746 nan 8.150 nan 0.000 0.400 326 L N 1.294 122.613 121.223 0.159 0.000 2.307 326 L HA 0.759 5.099 4.340 -0.001 0.000 0.282 326 L C 0.441 177.373 176.870 0.103 0.000 1.051 326 L CA -0.391 54.548 54.840 0.164 0.000 0.804 326 L CB 1.781 43.927 42.059 0.145 0.000 1.197 326 L HN 0.906 nan 8.230 nan 0.000 0.431 327 A N 3.461 126.333 122.820 0.085 0.000 2.422 327 A HA 0.610 4.929 4.320 -0.001 0.000 0.302 327 A C -0.913 176.704 177.584 0.055 0.000 1.041 327 A CA -0.683 51.394 52.037 0.068 0.000 0.708 327 A CB 1.580 20.620 19.000 0.068 0.000 1.257 327 A HN 0.755 nan 8.150 nan 0.000 0.414 328 R N 1.582 122.116 120.500 0.057 0.000 2.229 328 R HA 0.589 4.929 4.340 -0.001 0.000 0.328 328 R C -0.843 175.501 176.300 0.074 0.000 1.009 328 R CA -0.157 55.975 56.100 0.053 0.000 0.864 328 R CB 0.769 31.096 30.300 0.044 0.000 1.085 328 R HN 0.969 nan 8.270 nan 0.000 0.453 329 V N 1.937 121.895 119.914 0.075 0.000 3.007 329 V HA 0.644 4.764 4.120 -0.001 0.000 0.311 329 V C -2.788 173.377 176.094 0.118 0.000 1.120 329 V CA -2.925 59.455 62.300 0.134 0.000 0.980 329 V CB 1.959 33.863 31.823 0.136 0.000 1.033 329 V HN 0.644 nan 8.190 nan 0.000 0.429 330 P HA 0.134 nan 4.420 nan 0.000 0.266 330 P C -0.105 177.236 177.300 0.070 0.000 1.193 330 P CA 0.294 63.453 63.100 0.098 0.000 0.770 330 P CB 0.260 31.965 31.700 0.009 0.000 0.836 331 E N 0.870 121.066 120.200 -0.006 0.000 2.459 331 E HA 0.199 4.549 4.350 -0.001 0.000 0.264 331 E C 1.135 177.717 176.600 -0.030 0.000 1.055 331 E CA 1.277 57.659 56.400 -0.030 0.000 0.957 331 E CB -0.255 29.433 29.700 -0.019 0.000 0.952 331 E HN 0.776 nan 8.360 nan 0.000 0.448 332 G N 2.354 111.124 108.800 -0.050 0.000 2.130 332 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.216 332 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.216 332 G C 0.101 174.952 174.900 -0.081 0.000 0.999 332 G CA -0.092 45.005 45.100 -0.004 0.000 0.686 332 G HN 0.517 nan 8.290 nan 0.000 0.515 333 I N 1.235 121.533 120.570 -0.454 0.000 2.634 333 I HA 0.547 4.717 4.170 -0.001 0.000 0.284 333 I C 1.368 177.266 176.117 -0.366 0.000 1.124 333 I CA 0.563 61.311 61.300 -0.920 0.000 1.417 333 I CB 0.718 38.041 38.000 -1.128 0.000 1.396 333 I HN 0.151 nan 8.210 nan 0.000 0.571 334 G N 4.406 113.059 108.800 -0.246 0.000 2.975 334 G HA2 0.169 4.128 3.960 -0.001 0.000 0.159 334 G HA3 0.169 4.128 3.960 -0.001 0.000 0.159 334 G C 0.361 175.190 174.900 -0.118 0.000 1.525 334 G CA -0.078 44.953 45.100 -0.115 0.000 1.075 334 G HN 0.728 nan 8.290 nan 0.000 0.574 335 E N -0.658 119.503 120.200 -0.066 0.000 2.472 335 E HA 0.144 4.494 4.350 -0.001 0.000 0.196 335 E C 0.451 177.024 176.600 -0.045 0.000 1.033 335 E CA 0.376 56.741 56.400 -0.058 0.000 0.886 335 E CB 0.583 30.259 29.700 -0.041 0.000 0.944 335 E HN 0.450 nan 8.360 nan 0.000 0.492 336 T N -1.866 112.670 114.554 -0.030 0.000 2.901 336 T HA 0.847 5.197 4.350 -0.001 0.000 0.293 336 T C -0.396 174.319 174.700 0.026 0.000 1.084 336 T CA -0.684 61.414 62.100 -0.004 0.000 1.008 336 T CB 2.391 71.266 68.868 0.011 0.000 1.170 336 T HN 0.025 nan 8.240 nan 0.000 0.509 337 A N 0.401 123.251 122.820 0.049 0.000 2.467 337 A HA 0.792 5.111 4.320 -0.001 0.000 0.301 337 A C -2.015 175.618 177.584 0.080 0.000 1.126 337 A CA -0.937 51.161 52.037 0.103 0.000 0.632 337 A CB 0.633 19.696 19.000 0.106 0.000 1.331 337 A HN 0.940 nan 8.150 nan 0.000 0.482 338 I N 0.129 120.757 120.570 0.097 0.000 2.647 338 I HA 0.595 4.765 4.170 -0.001 0.000 0.295 338 I C -0.818 175.339 176.117 0.067 0.000 1.078 338 I CA -0.988 60.352 61.300 0.067 0.000 1.048 338 I CB 2.208 40.244 38.000 0.061 0.000 1.239 338 I HN 0.804 nan 8.210 nan 0.000 0.421 339 V N 5.350 125.294 119.914 0.050 0.000 2.604 339 V HA 0.510 4.629 4.120 -0.001 0.000 0.305 339 V C -0.700 175.416 176.094 0.037 0.000 1.043 339 V CA -0.452 61.876 62.300 0.048 0.000 0.888 339 V CB 1.742 33.594 31.823 0.048 0.000 0.995 339 V HN 0.874 nan 8.190 nan 0.000 0.429 340 Q N 5.185 125.006 119.800 0.035 0.000 2.337 340 Q HA 0.495 4.835 4.340 -0.001 0.000 0.255 340 Q C -1.092 174.923 176.000 0.025 0.000 0.997 340 Q CA -0.398 55.422 55.803 0.027 0.000 0.925 340 Q CB 0.880 29.633 28.738 0.024 0.000 1.212 340 Q HN 0.882 nan 8.270 nan 0.000 0.436 341 I N 5.626 126.210 120.570 0.022 0.000 2.412 341 I HA 0.255 4.425 4.170 -0.001 0.000 0.279 341 I C 0.473 176.600 176.117 0.017 0.000 1.063 341 I CA -0.594 60.718 61.300 0.020 0.000 1.193 341 I CB 0.645 38.657 38.000 0.021 0.000 1.370 341 I HN 0.906 nan 8.210 nan 0.000 0.479 342 R N 3.777 124.287 120.500 0.016 0.000 3.950 342 R HA -0.362 3.977 4.340 -0.001 0.000 0.351 342 R C 1.180 177.487 176.300 0.012 0.000 0.245 342 R CA 2.598 58.706 56.100 0.013 0.000 1.155 342 R CB -0.973 29.334 30.300 0.011 0.000 0.980 342 R HN 0.704 nan 8.270 nan 0.000 0.569 343 N N 0.210 118.916 118.700 0.010 0.000 2.457 343 N HA -0.005 4.735 4.740 -0.001 0.000 0.180 343 N C -0.201 175.315 175.510 0.009 0.000 1.050 343 N CA 0.197 53.252 53.050 0.009 0.000 0.906 343 N CB 0.190 38.682 38.487 0.007 0.000 0.968 343 N HN 0.128 nan 8.380 nan 0.000 0.445 344 R N 0.938 121.444 120.500 0.011 0.000 2.532 344 R HA 0.178 4.518 4.340 -0.001 0.000 0.295 344 R C -0.961 175.348 176.300 0.015 0.000 0.968 344 R CA -0.527 55.581 56.100 0.012 0.000 0.916 344 R CB 1.436 31.744 30.300 0.012 0.000 1.124 344 R HN -0.031 nan 8.270 nan 0.000 0.463 345 E N 2.936 123.146 120.200 0.015 0.000 1.861 345 E HA 0.106 4.456 4.350 -0.001 0.000 0.263 345 E C -0.471 176.141 176.600 0.020 0.000 1.137 345 E CA -0.025 56.386 56.400 0.019 0.000 0.944 345 E CB 0.401 30.112 29.700 0.017 0.000 1.092 345 E HN 0.194 nan 8.360 nan 0.000 0.420 346 M N 5.015 124.628 119.600 0.022 0.000 2.143 346 M HA 0.240 4.719 4.480 -0.001 0.000 0.348 346 M C -2.181 174.131 176.300 0.020 0.000 1.375 346 M CA -3.025 52.286 55.300 0.019 0.000 1.124 346 M CB 0.110 32.722 32.600 0.020 0.000 1.669 346 M HN 0.071 nan 8.290 nan 0.000 0.469 347 P HA 0.278 nan 4.420 nan 0.000 0.271 347 P C -0.656 176.644 177.300 -0.000 0.000 1.216 347 P CA -0.214 62.893 63.100 0.011 0.000 0.771 347 P CB 0.698 32.400 31.700 0.003 0.000 0.864 348 V N -0.528 119.388 119.914 0.004 0.000 3.078 348 V HA 0.687 4.807 4.120 -0.001 0.000 0.311 348 V C -0.502 175.584 176.094 -0.013 0.000 1.138 348 V CA -1.502 60.792 62.300 -0.008 0.000 1.007 348 V CB 2.067 33.897 31.823 0.012 0.000 1.045 348 V HN 0.347 nan 8.190 nan 0.000 0.432 349 K N 1.945 122.328 120.400 -0.027 0.000 2.174 349 K HA 0.691 5.011 4.320 -0.001 0.000 0.275 349 K C -1.037 175.557 176.600 -0.010 0.000 1.015 349 K CA -0.310 55.962 56.287 -0.025 0.000 0.933 349 K CB 1.521 33.996 32.500 -0.040 0.000 1.025 349 K HN 0.754 nan 8.250 nan 0.000 0.463 350 V N 4.631 124.527 119.914 -0.030 0.000 2.370 350 V HA 0.472 4.591 4.120 -0.001 0.000 0.283 350 V C 0.065 176.121 176.094 -0.063 0.000 1.023 350 V CA -0.412 61.860 62.300 -0.046 0.000 0.857 350 V CB 0.896 32.662 31.823 -0.094 0.000 0.985 350 V HN 1.084 nan 8.190 nan 0.000 0.443 351 T N 1.671 116.181 114.554 -0.072 0.000 2.773 351 T HA 0.563 4.912 4.350 -0.001 0.000 0.278 351 T C -0.267 174.329 174.700 -0.173 0.000 1.011 351 T CA -1.059 60.969 62.100 -0.120 0.000 1.014 351 T CB 1.363 70.149 68.868 -0.136 0.000 1.293 351 T HN 0.399 nan 8.240 nan 0.000 0.554 352 K N 1.996 122.271 120.400 -0.208 0.000 2.469 352 K HA 0.197 4.517 4.320 -0.001 0.000 0.274 352 K C -2.047 174.333 176.600 -0.367 0.000 0.983 352 K CA -1.437 54.711 56.287 -0.233 0.000 0.974 352 K CB 0.202 32.577 32.500 -0.208 0.000 0.913 352 K HN 0.413 nan 8.250 nan 0.000 0.493 353 P HA 0.031 nan 4.420 nan 0.000 0.228 353 P C -1.020 176.063 177.300 -0.362 0.000 1.748 353 P CA 0.214 63.148 63.100 -0.278 0.000 0.909 353 P CB 0.107 31.757 31.700 -0.084 0.000 1.882 354 V N 0.355 119.874 119.914 -0.658 0.000 2.950 354 V HA 0.346 4.465 4.120 -0.001 0.000 0.295 354 V C -0.630 175.116 176.094 -0.580 0.000 1.297 354 V CA -0.525 61.502 62.300 -0.456 0.000 0.962 354 V CB 1.390 33.083 31.823 -0.216 0.000 1.081 354 V HN -0.069 nan 8.190 nan 0.000 0.432 355 F N 4.552 124.475 119.950 -0.044 0.000 2.680 355 F HA 0.547 5.073 4.527 -0.001 0.000 0.290 355 F C 0.511 176.290 175.800 -0.035 0.000 1.114 355 F CA 0.153 58.131 58.000 -0.036 0.000 1.333 355 F CB 0.926 39.905 39.000 -0.035 0.000 1.091 355 F HN 0.336 nan 8.300 nan 0.000 0.606 356 V N -0.422 119.568 119.914 0.127 0.000 3.160 356 V HA 0.661 4.780 4.120 -0.001 0.000 0.310 356 V C -0.451 175.651 176.094 0.012 0.000 1.181 356 V CA -0.980 61.358 62.300 0.063 0.000 1.047 356 V CB 3.021 34.885 31.823 0.069 0.000 1.068 356 V HN 0.028 nan 8.190 nan 0.000 0.441 357 R N -0.377 120.120 120.500 -0.005 0.000 2.944 357 R HA 0.273 4.613 4.340 -0.001 0.000 0.270 357 R C 0.458 176.745 176.300 -0.022 0.000 0.989 357 R CA -0.149 55.938 56.100 -0.022 0.000 0.853 357 R CB 0.959 31.235 30.300 -0.040 0.000 1.430 357 R HN 0.885 nan 8.270 nan 0.000 0.450 358 N N -0.768 117.917 118.700 -0.025 0.000 3.201 358 N HA -0.351 4.389 4.740 -0.001 0.000 0.198 358 N C 0.917 176.409 175.510 -0.031 0.000 0.165 358 N CA 2.587 55.622 53.050 -0.026 0.000 3.047 358 N CB -1.052 37.419 38.487 -0.026 0.000 1.089 358 N HN 0.784 nan 8.380 nan 0.000 0.362 359 G N -0.550 108.232 108.800 -0.030 0.000 4.260 359 G HA2 0.106 4.066 3.960 -0.001 0.000 0.164 359 G HA3 0.106 4.066 3.960 -0.001 0.000 0.164 359 G C -0.307 174.579 174.900 -0.023 0.000 0.955 359 G CA 0.269 45.347 45.100 -0.037 0.000 0.797 359 G HN 0.714 nan 8.290 nan 0.000 0.516 360 K N 0.151 120.542 120.400 -0.015 0.000 2.280 360 K HA 0.895 5.215 4.320 -0.001 0.000 0.234 360 K C -0.174 176.429 176.600 0.004 0.000 1.028 360 K CA -0.342 55.941 56.287 -0.006 0.000 0.882 360 K CB 2.152 34.647 32.500 -0.009 0.000 1.194 360 K HN 0.205 nan 8.250 nan 0.000 0.458 361 A N 0.780 123.606 122.820 0.011 0.000 2.316 361 A HA 0.383 4.702 4.320 -0.001 0.000 0.284 361 A C -0.243 177.349 177.584 0.014 0.000 1.115 361 A CA -0.932 51.121 52.037 0.028 0.000 0.812 361 A CB 0.704 19.727 19.000 0.039 0.000 1.064 361 A HN 0.462 nan 8.150 nan 0.000 0.489 362 V N 2.470 122.390 119.914 0.011 0.000 2.153 362 V HA 0.418 4.537 4.120 -0.001 0.000 0.250 362 V C 0.866 176.961 176.094 0.002 0.000 1.334 362 V CA 0.468 62.759 62.300 -0.015 0.000 1.249 362 V CB -1.171 30.619 31.823 -0.055 0.000 1.371 362 V HN 0.985 nan 8.190 nan 0.000 0.498 363 A N 0.000 122.829 122.820 0.016 0.000 2.254 363 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 363 A CA 0.000 52.060 52.037 0.038 0.000 0.836 363 A CB 0.000 19.031 19.000 0.052 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486