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 2cwf_1_A DATA FIRST_RESID 10 DATA SEQUENCE TQTVSYPQLI DLLRRIFVVH GTSPEVADVL AENCASAQRD GSHSHGIFRI DATA SEQUENCE PGYLSSLASG WVDGKAVPVV EDVGAAFVRV DACNGFAQPA LAAARSLLID DATA SEQUENCE KARSAGVAIL AIRGSHHFAA LWPDVEPFAE QGLVALSMVN SMTCVVPHGA DATA SEQUENCE RQPLFGTNPI AFGAPRAGGE PIVFDLATSA IAHGDVQIAA REGRLLPAGM DATA SEQUENCE GVDRDGLPTQ EPRAILDGGA LLPFGGHKGS ALSMMVELLA AGLTGGNFSF DATA SEQUENCE EFDWSKHPGA QTPWTGQLLI VIDPDKGAGQ HFAQRSEELV RQLHGVGQER DATA SEQUENCE LPGDRRYLER ARSMAHGIVI AQADLERLQE LA 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.708 174.700 0.013 0.000 1.109 10 T CA 0.000 62.104 62.100 0.007 0.000 1.349 10 T CB 0.000 68.870 68.868 0.003 0.000 0.612 11 Q N 1.482 121.292 119.800 0.017 0.000 2.318 11 Q HA 0.723 5.063 4.340 -0.000 0.000 0.222 11 Q C -0.491 175.528 176.000 0.031 0.000 1.003 11 Q CA 0.063 55.879 55.803 0.022 0.000 0.936 11 Q CB 1.106 29.857 28.738 0.021 0.000 1.204 11 Q HN 0.776 nan 8.270 nan 0.000 0.524 12 T N 1.899 116.475 114.554 0.036 0.000 2.809 12 T HA 0.568 4.918 4.350 -0.000 0.000 0.284 12 T C -1.154 173.578 174.700 0.052 0.000 0.992 12 T CA -0.583 61.547 62.100 0.050 0.000 0.957 12 T CB 0.662 69.563 68.868 0.054 0.000 0.942 12 T HN 0.504 nan 8.240 nan 0.000 0.439 13 V N 1.356 121.307 119.914 0.062 0.000 2.715 13 V HA 0.917 5.037 4.120 -0.000 0.000 0.310 13 V C 0.332 176.474 176.094 0.080 0.000 1.054 13 V CA -1.101 61.234 62.300 0.059 0.000 0.928 13 V CB 1.735 33.588 31.823 0.051 0.000 1.007 13 V HN 0.889 nan 8.190 nan 0.000 0.437 14 S N 2.634 118.378 115.700 0.074 0.000 2.614 14 S HA 0.276 4.746 4.470 -0.000 0.000 0.265 14 S C 0.739 175.421 174.600 0.135 0.000 1.303 14 S CA 0.210 58.471 58.200 0.101 0.000 1.000 14 S CB 0.566 63.811 63.200 0.076 0.000 0.935 14 S HN 1.118 nan 8.310 nan 0.000 0.551 15 Y N 3.158 123.480 120.300 0.037 0.000 2.128 15 Y HA 0.017 4.567 4.550 -0.000 0.000 0.284 15 Y C -0.862 175.059 175.900 0.034 0.000 1.154 15 Y CA 1.827 59.952 58.100 0.042 0.000 1.149 15 Y CB -1.575 36.911 38.460 0.043 0.000 0.976 15 Y HN 0.582 nan 8.280 nan 0.000 0.505 16 P HA -0.160 nan 4.420 nan 0.000 0.221 16 P C 1.022 178.241 177.300 -0.135 0.000 1.150 16 P CA 1.751 64.723 63.100 -0.214 0.000 0.800 16 P CB -0.083 31.572 31.700 -0.076 0.000 0.787 17 Q N -0.676 119.090 119.800 -0.058 0.000 2.079 17 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 17 Q C 2.272 178.248 176.000 -0.041 0.000 0.974 17 Q CA 0.829 56.612 55.803 -0.033 0.000 0.840 17 Q CB -0.641 28.098 28.738 0.002 0.000 0.898 17 Q HN 0.141 nan 8.270 nan 0.000 0.430 18 L N 1.031 122.234 121.223 -0.034 0.000 2.046 18 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 18 L C 1.967 178.801 176.870 -0.060 0.000 1.077 18 L CA 1.571 56.401 54.840 -0.018 0.000 0.747 18 L CB -0.427 41.658 42.059 0.043 0.000 0.896 18 L HN 0.201 nan 8.230 nan 0.000 0.432 19 I N -0.394 120.087 120.570 -0.148 0.000 2.127 19 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 19 I C 2.056 178.123 176.117 -0.083 0.000 1.075 19 I CA 1.702 62.910 61.300 -0.153 0.000 1.334 19 I CB -0.617 37.214 38.000 -0.281 0.000 1.040 19 I HN 0.264 nan 8.210 nan 0.000 0.405 20 D N 0.705 121.055 120.400 -0.083 0.000 2.123 20 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 20 D C 1.910 178.190 176.300 -0.033 0.000 0.992 20 D CA 1.079 55.049 54.000 -0.050 0.000 0.833 20 D CB -0.291 40.481 40.800 -0.046 0.000 0.954 20 D HN 0.166 nan 8.370 nan 0.000 0.455 21 L N 0.225 121.426 121.223 -0.036 0.000 2.027 21 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 21 L C 1.933 178.772 176.870 -0.053 0.000 1.074 21 L CA 1.458 56.277 54.840 -0.035 0.000 0.745 21 L CB -0.446 41.596 42.059 -0.029 0.000 0.898 21 L HN 0.065 nan 8.230 nan 0.000 0.433 22 L N -0.744 120.448 121.223 -0.053 0.000 2.093 22 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 22 L C 2.764 179.626 176.870 -0.013 0.000 1.085 22 L CA 1.325 56.108 54.840 -0.096 0.000 0.755 22 L CB -0.652 41.393 42.059 -0.023 0.000 0.904 22 L HN 0.340 nan 8.230 nan 0.000 0.435 23 R N 0.713 121.250 120.500 0.061 0.000 2.091 23 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 23 R C 2.482 178.832 176.300 0.082 0.000 1.136 23 R CA 1.565 57.734 56.100 0.115 0.000 0.959 23 R CB -0.183 30.138 30.300 0.034 0.000 0.856 23 R HN 0.238 nan 8.270 nan 0.000 0.437 24 R N 0.580 121.091 120.500 0.019 0.000 2.081 24 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 24 R C 2.285 178.594 176.300 0.016 0.000 1.131 24 R CA 1.703 57.811 56.100 0.014 0.000 0.960 24 R CB -0.295 30.002 30.300 -0.005 0.000 0.856 24 R HN 0.299 nan 8.270 nan 0.000 0.436 25 I N 0.357 120.893 120.570 -0.057 0.000 2.208 25 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 25 I C 1.904 177.988 176.117 -0.055 0.000 1.097 25 I CA 1.384 62.620 61.300 -0.106 0.000 1.363 25 I CB -0.335 37.452 38.000 -0.356 0.000 1.051 25 I HN 0.128 nan 8.210 nan 0.000 0.413 26 F N 0.320 120.262 119.950 -0.014 0.000 2.146 26 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 26 F C 2.460 178.281 175.800 0.035 0.000 1.096 26 F CA 1.170 59.155 58.000 -0.025 0.000 1.275 26 F CB -1.079 37.847 39.000 -0.123 0.000 1.008 26 F HN -0.196 nan 8.300 nan 0.000 0.480 27 V N -0.750 119.283 119.914 0.198 0.000 2.343 27 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 27 V C 2.317 178.459 176.094 0.080 0.000 1.051 27 V CA 1.401 63.766 62.300 0.110 0.000 1.036 27 V CB -0.776 31.084 31.823 0.062 0.000 0.654 27 V HN 0.160 nan 8.190 nan 0.000 0.451 28 V N -0.388 119.573 119.914 0.078 0.000 2.490 28 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 28 V C 1.763 177.792 176.094 -0.108 0.000 1.061 28 V CA 1.832 64.124 62.300 -0.012 0.000 1.064 28 V CB -0.885 30.929 31.823 -0.015 0.000 0.670 28 V HN 0.668 nan 8.190 nan 0.000 0.461 29 H N -0.323 118.756 119.070 0.015 0.000 2.568 29 H HA 0.444 5.000 4.556 -0.000 0.000 0.302 29 H C 1.508 176.869 175.328 0.055 0.000 1.065 29 H CA 0.467 56.532 56.048 0.028 0.000 1.140 29 H CB -0.004 29.771 29.762 0.022 0.000 1.474 29 H HN 0.395 nan 8.280 nan 0.000 0.545 30 G N 0.526 109.388 108.800 0.102 0.000 2.175 30 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.244 30 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.244 30 G C 0.779 175.729 174.900 0.082 0.000 0.982 30 G CA 0.331 45.475 45.100 0.074 0.000 0.641 30 G HN 0.627 nan 8.290 nan 0.000 0.527 31 T N -0.446 114.181 114.554 0.121 0.000 2.882 31 T HA 0.669 5.019 4.350 -0.000 0.000 0.287 31 T C 0.983 175.708 174.700 0.043 0.000 1.014 31 T CA 0.669 62.821 62.100 0.087 0.000 1.049 31 T CB 1.575 70.495 68.868 0.086 0.000 1.001 31 T HN 1.563 nan 8.240 nan 0.000 0.525 32 S N 1.554 117.262 115.700 0.013 0.000 2.593 32 S HA 0.284 4.754 4.470 -0.000 0.000 0.269 32 S C -1.843 172.751 174.600 -0.009 0.000 1.334 32 S CA -1.129 57.070 58.200 -0.002 0.000 1.015 32 S CB 0.467 63.660 63.200 -0.012 0.000 0.912 32 S HN 0.556 nan 8.310 nan 0.000 0.541 33 P HA -0.081 nan 4.420 nan 0.000 0.216 33 P C 1.046 178.325 177.300 -0.034 0.000 1.150 33 P CA 1.218 64.309 63.100 -0.014 0.000 0.837 33 P CB 0.014 31.706 31.700 -0.013 0.000 0.786 34 E N -0.729 119.449 120.200 -0.037 0.000 2.051 34 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 34 E C 2.057 178.609 176.600 -0.079 0.000 0.991 34 E CA 0.962 57.332 56.400 -0.049 0.000 0.799 34 E CB -1.497 28.180 29.700 -0.038 0.000 0.748 34 E HN 0.022 nan 8.360 nan 0.000 0.449 35 V N 1.014 120.878 119.914 -0.083 0.000 2.343 35 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 35 V C 2.200 178.133 176.094 -0.269 0.000 1.051 35 V CA 1.724 63.941 62.300 -0.139 0.000 1.036 35 V CB -0.881 30.896 31.823 -0.076 0.000 0.654 35 V HN 0.343 nan 8.190 nan 0.000 0.451 36 A N -0.013 122.692 122.820 -0.192 0.000 1.908 36 A HA -0.269 4.050 4.320 -0.000 0.000 0.218 36 A C 2.015 179.501 177.584 -0.163 0.000 1.181 36 A CA 2.093 54.022 52.037 -0.180 0.000 0.627 36 A CB -0.622 18.386 19.000 0.014 0.000 0.818 36 A HN 0.554 nan 8.150 nan 0.000 0.445 37 D N -0.212 120.118 120.400 -0.117 0.000 2.097 37 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 37 D C 2.140 178.358 176.300 -0.136 0.000 0.989 37 D CA 1.602 55.543 54.000 -0.098 0.000 0.827 37 D CB -0.556 40.200 40.800 -0.074 0.000 0.966 37 D HN 0.233 nan 8.370 nan 0.000 0.456 38 V N 1.361 121.173 119.914 -0.170 0.000 2.295 38 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 38 V C 2.694 178.632 176.094 -0.260 0.000 1.049 38 V CA 1.220 63.410 62.300 -0.183 0.000 1.024 38 V CB -0.506 31.217 31.823 -0.167 0.000 0.648 38 V HN 0.183 nan 8.190 nan 0.000 0.447 39 L N -0.084 120.868 121.223 -0.452 0.000 2.093 39 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 39 L C 2.756 179.425 176.870 -0.335 0.000 1.085 39 L CA 1.390 55.843 54.840 -0.644 0.000 0.755 39 L CB -0.877 40.278 42.059 -1.507 0.000 0.904 39 L HN 0.360 nan 8.230 nan 0.000 0.435 40 A N 0.190 122.901 122.820 -0.182 0.000 1.883 40 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 40 A C 2.290 179.861 177.584 -0.021 0.000 1.186 40 A CA 2.029 54.085 52.037 0.032 0.000 0.624 40 A CB -0.588 18.436 19.000 0.040 0.000 0.822 40 A HN 0.486 nan 8.150 nan 0.000 0.444 41 E N -0.205 119.957 120.200 -0.064 0.000 2.077 41 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 41 E C 2.077 178.698 176.600 0.035 0.000 0.989 41 E CA 1.222 57.605 56.400 -0.027 0.000 0.800 41 E CB -0.255 29.427 29.700 -0.031 0.000 0.746 41 E HN 0.652 nan 8.360 nan 0.000 0.452 42 N N 0.651 119.328 118.700 -0.040 0.000 2.058 42 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 42 N C 2.112 177.625 175.510 0.005 0.000 1.037 42 N CA 1.547 54.560 53.050 -0.062 0.000 0.848 42 N CB -0.669 37.737 38.487 -0.135 0.000 1.021 42 N HN 0.309 nan 8.380 nan 0.000 0.422 43 C N 1.035 120.361 119.300 0.043 0.000 2.432 43 C HA 0.103 4.563 4.460 -0.000 0.000 0.277 43 C C 2.989 178.079 174.990 0.167 0.000 1.249 43 C CA 1.311 60.408 59.018 0.132 0.000 1.725 43 C CB -1.459 26.378 27.740 0.161 0.000 2.028 43 C HN 0.554 nan 8.230 nan 0.000 0.477 44 A N -0.284 122.632 122.820 0.160 0.000 1.933 44 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 44 A C 2.357 180.184 177.584 0.404 0.000 1.175 44 A CA 2.301 54.480 52.037 0.235 0.000 0.628 44 A CB -0.929 18.139 19.000 0.112 0.000 0.814 44 A HN 0.629 nan 8.150 nan 0.000 0.444 45 S N -0.254 115.686 115.700 0.401 0.000 2.368 45 S HA -0.051 4.419 4.470 -0.000 0.000 0.225 45 S C 2.295 177.107 174.600 0.353 0.000 1.030 45 S CA 1.175 59.592 58.200 0.362 0.000 0.999 45 S CB -0.425 62.936 63.200 0.269 0.000 0.844 45 S HN 0.799 nan 8.310 nan 0.000 0.459 46 A N 1.039 124.032 122.820 0.288 0.000 1.902 46 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 46 A C 2.109 179.858 177.584 0.275 0.000 1.181 46 A CA 1.820 54.075 52.037 0.363 0.000 0.623 46 A CB -0.751 18.403 19.000 0.257 0.000 0.818 46 A HN 0.416 nan 8.150 nan 0.000 0.443 47 Q N -0.081 119.863 119.800 0.240 0.000 2.084 47 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 47 Q C 2.197 178.302 176.000 0.174 0.000 0.978 47 Q CA 2.063 57.998 55.803 0.219 0.000 0.844 47 Q CB -0.376 28.499 28.738 0.228 0.000 0.898 47 Q HN 0.651 nan 8.270 nan 0.000 0.426 48 R N -0.092 120.515 120.500 0.178 0.000 2.091 48 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 48 R C 0.613 176.927 176.300 0.024 0.000 1.136 48 R CA 1.904 58.054 56.100 0.084 0.000 0.959 48 R CB -0.207 30.057 30.300 -0.060 0.000 0.856 48 R HN 0.252 nan 8.270 nan 0.000 0.437 49 D N -1.390 119.032 120.400 0.036 0.000 2.349 49 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 49 D C 0.856 177.079 176.300 -0.128 0.000 1.029 49 D CA 1.086 55.040 54.000 -0.076 0.000 0.879 49 D CB 0.564 41.264 40.800 -0.166 0.000 0.906 49 D HN 0.571 nan 8.370 nan 0.000 0.528 50 G N -0.045 108.670 108.800 -0.141 0.000 2.141 50 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 50 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 50 G C 0.555 175.069 174.900 -0.643 0.000 0.982 50 G CA 0.207 45.046 45.100 -0.435 0.000 0.662 50 G HN 0.256 nan 8.290 nan 0.000 0.527 51 S N 1.583 117.147 115.700 -0.227 0.000 3.983 51 S HA 0.255 4.725 4.470 -0.000 0.000 0.194 51 S C 1.582 176.175 174.600 -0.011 0.000 1.464 51 S CA -0.284 57.905 58.200 -0.018 0.000 1.021 51 S CB -0.208 63.203 63.200 0.353 0.000 1.424 51 S HN 0.474 nan 8.310 nan 0.000 0.473 52 H N 0.865 119.979 119.070 0.073 0.000 2.466 52 H HA -0.097 4.459 4.556 -0.000 0.000 0.297 52 H C 2.325 177.640 175.328 -0.022 0.000 1.113 52 H CA 1.350 57.417 56.048 0.031 0.000 1.273 52 H CB -0.380 29.364 29.762 -0.030 0.000 1.371 52 H HN 0.522 nan 8.280 nan 0.000 0.528 53 S N 0.015 115.689 115.700 -0.044 0.000 2.447 53 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 53 S C 1.273 175.687 174.600 -0.309 0.000 1.006 53 S CA 0.599 58.653 58.200 -0.244 0.000 0.957 53 S CB -0.057 62.892 63.200 -0.418 0.000 0.773 53 S HN 0.538 nan 8.310 nan 0.000 0.507 54 H N -0.397 118.773 119.070 0.167 0.000 2.674 54 H HA 0.357 4.913 4.556 -0.000 0.000 0.274 54 H C 1.131 176.552 175.328 0.156 0.000 1.121 54 H CA 0.275 56.391 56.048 0.113 0.000 1.132 54 H CB 0.029 29.833 29.762 0.069 0.000 1.606 54 H HN 0.418 nan 8.280 nan 0.000 0.558 55 G N 1.144 110.104 108.800 0.267 0.000 2.829 55 G HA2 0.163 4.123 3.960 -0.000 0.000 0.173 55 G HA3 0.163 4.123 3.960 -0.000 0.000 0.173 55 G C 1.437 176.490 174.900 0.255 0.000 1.476 55 G CA -0.107 45.149 45.100 0.259 0.000 1.072 55 G HN 0.256 nan 8.290 nan 0.000 0.577 56 I N -2.132 118.573 120.570 0.226 0.000 2.657 56 I HA -0.043 4.127 4.170 -0.000 0.000 0.261 56 I C 2.264 178.496 176.117 0.193 0.000 1.212 56 I CA 1.286 62.690 61.300 0.175 0.000 1.453 56 I CB -0.345 37.732 38.000 0.129 0.000 1.092 56 I HN 0.222 nan 8.210 nan 0.000 0.452 57 F N 2.904 122.909 119.950 0.091 0.000 2.250 57 F HA -0.112 4.415 4.527 -0.000 0.000 0.301 57 F C 2.326 178.178 175.800 0.086 0.000 1.077 57 F CA 1.426 59.467 58.000 0.067 0.000 1.348 57 F CB -0.238 38.787 39.000 0.042 0.000 1.040 57 F HN -0.042 nan 8.300 nan 0.000 0.509 58 R N 0.160 120.670 120.500 0.017 0.000 2.299 58 R HA 0.049 4.389 4.340 -0.000 0.000 0.197 58 R C 2.168 178.627 176.300 0.266 0.000 0.971 58 R CA 0.258 56.362 56.100 0.007 0.000 1.030 58 R CB -0.689 29.609 30.300 -0.002 0.000 0.932 58 R HN 0.336 nan 8.270 nan 0.000 0.477 59 I N 1.646 122.326 120.570 0.185 0.000 2.151 59 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 59 I C -0.662 175.487 176.117 0.053 0.000 1.080 59 I CA 1.426 62.802 61.300 0.127 0.000 1.339 59 I CB -2.078 35.883 38.000 -0.063 0.000 1.039 59 I HN -0.020 nan 8.210 nan 0.000 0.409 60 P HA -0.127 nan 4.420 nan 0.000 0.216 60 P C 1.730 179.011 177.300 -0.032 0.000 1.153 60 P CA 1.849 64.912 63.100 -0.062 0.000 0.858 60 P CB -0.244 31.396 31.700 -0.100 0.000 0.789 61 G N -2.009 106.803 108.800 0.020 0.000 2.422 61 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 61 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 61 G C 1.377 176.162 174.900 -0.191 0.000 1.146 61 G CA 0.490 45.569 45.100 -0.036 0.000 0.769 61 G HN 0.247 nan 8.290 nan 0.000 0.547 62 Y N 0.527 120.837 120.300 0.018 0.000 2.145 62 Y HA -0.043 4.507 4.550 -0.000 0.000 0.286 62 Y C 2.847 178.764 175.900 0.028 0.000 1.145 62 Y CA 0.987 59.115 58.100 0.048 0.000 1.148 62 Y CB -0.085 38.527 38.460 0.255 0.000 0.981 62 Y HN 0.055 nan 8.280 nan 0.000 0.507 63 L N -0.679 120.617 121.223 0.122 0.000 2.093 63 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 63 L C 2.572 179.451 176.870 0.015 0.000 1.085 63 L CA 1.519 56.360 54.840 0.002 0.000 0.755 63 L CB -0.907 41.021 42.059 -0.218 0.000 0.904 63 L HN 0.283 nan 8.230 nan 0.000 0.435 64 S N -1.202 114.475 115.700 -0.038 0.000 2.383 64 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 64 S C 2.081 176.628 174.600 -0.088 0.000 1.026 64 S CA 1.277 59.436 58.200 -0.069 0.000 0.981 64 S CB -0.333 62.796 63.200 -0.118 0.000 0.818 64 S HN 0.307 nan 8.310 nan 0.000 0.472 65 S N 2.001 117.632 115.700 -0.115 0.000 2.383 65 S HA 0.182 4.652 4.470 -0.000 0.000 0.227 65 S C 1.791 176.398 174.600 0.013 0.000 1.026 65 S CA 1.099 59.241 58.200 -0.097 0.000 0.981 65 S CB -0.511 62.604 63.200 -0.141 0.000 0.818 65 S HN 0.431 nan 8.310 nan 0.000 0.472 66 L N 1.171 122.432 121.223 0.063 0.000 2.093 66 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 66 L C 2.783 179.689 176.870 0.060 0.000 1.085 66 L CA 0.989 55.874 54.840 0.075 0.000 0.755 66 L CB -0.696 41.469 42.059 0.176 0.000 0.904 66 L HN 0.309 nan 8.230 nan 0.000 0.435 67 A N 0.248 123.108 122.820 0.065 0.000 1.927 67 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 67 A C 2.453 180.065 177.584 0.046 0.000 1.185 67 A CA 2.447 54.518 52.037 0.056 0.000 0.639 67 A CB -0.791 18.236 19.000 0.045 0.000 0.820 67 A HN 0.541 nan 8.150 nan 0.000 0.451 68 S N -2.353 113.384 115.700 0.062 0.000 2.527 68 S HA 0.363 4.833 4.470 -0.000 0.000 0.222 68 S C 1.502 176.196 174.600 0.156 0.000 0.985 68 S CA 1.132 59.395 58.200 0.106 0.000 0.921 68 S CB -0.176 63.120 63.200 0.161 0.000 0.772 68 S HN 2.039 nan 8.310 nan 0.000 0.529 69 G N 0.813 109.669 108.800 0.093 0.000 2.176 69 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.253 69 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.253 69 G C 0.573 175.464 174.900 -0.015 0.000 0.979 69 G CA 0.192 45.309 45.100 0.027 0.000 0.641 69 G HN 0.546 nan 8.290 nan 0.000 0.530 70 W N 0.088 121.296 121.300 -0.153 0.000 2.305 70 W HA 0.060 4.720 4.660 -0.000 0.000 0.308 70 W C 0.605 176.802 176.519 -0.536 0.000 1.226 70 W CA 1.948 59.054 57.345 -0.398 0.000 1.253 70 W CB -0.032 29.208 29.460 -0.366 0.000 1.146 70 W HN 0.518 nan 8.180 nan 0.000 0.507 71 V N 2.479 122.007 119.914 -0.644 0.000 2.604 71 V HA 0.225 4.345 4.120 -0.000 0.000 0.305 71 V C -0.943 174.758 176.094 -0.655 0.000 1.043 71 V CA -0.683 60.927 62.300 -1.150 0.000 0.888 71 V CB 1.671 32.615 31.823 -1.465 0.000 0.995 71 V HN -0.060 nan 8.190 nan 0.000 0.429 72 D N 4.301 124.338 120.400 -0.605 0.000 2.380 72 D HA 0.358 4.998 4.640 -0.000 0.000 0.230 72 D C 1.095 177.243 176.300 -0.255 0.000 1.154 72 D CA 0.491 54.290 54.000 -0.335 0.000 0.859 72 D CB 1.465 42.105 40.800 -0.266 0.000 1.045 72 D HN 0.706 nan 8.370 nan 0.000 0.495 73 G N 3.323 112.054 108.800 -0.116 0.000 2.625 73 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 73 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 73 G C 1.055 175.960 174.900 0.009 0.000 1.132 73 G CA 0.255 45.374 45.100 0.032 0.000 0.782 73 G HN 0.450 nan 8.290 nan 0.000 0.538 74 K N 0.136 120.515 120.400 -0.036 0.000 2.438 74 K HA 0.416 4.736 4.320 -0.000 0.000 0.205 74 K C 0.801 177.375 176.600 -0.044 0.000 1.033 74 K CA -0.315 55.954 56.287 -0.029 0.000 1.089 74 K CB 1.168 33.652 32.500 -0.026 0.000 0.857 74 K HN 0.209 nan 8.250 nan 0.000 0.522 75 A N 1.176 123.957 122.820 -0.065 0.000 2.531 75 A HA 0.157 4.477 4.320 -0.000 0.000 0.236 75 A C 0.172 177.733 177.584 -0.038 0.000 1.062 75 A CA 0.102 52.098 52.037 -0.067 0.000 0.760 75 A CB 0.340 19.282 19.000 -0.097 0.000 0.995 75 A HN 0.045 nan 8.150 nan 0.000 0.501 76 V N 5.725 125.619 119.914 -0.032 0.000 2.313 76 V HA 0.265 4.385 4.120 -0.000 0.000 0.278 76 V C -2.139 173.947 176.094 -0.014 0.000 1.017 76 V CA -1.291 60.997 62.300 -0.020 0.000 0.823 76 V CB 1.043 32.855 31.823 -0.018 0.000 1.010 76 V HN 0.820 nan 8.190 nan 0.000 0.443 77 P HA 0.091 nan 4.420 nan 0.000 0.266 77 P C -0.666 176.635 177.300 0.001 0.000 1.195 77 P CA 0.112 63.212 63.100 -0.000 0.000 0.768 77 P CB 0.555 32.258 31.700 0.005 0.000 0.838 78 V N 4.523 124.440 119.914 0.005 0.000 2.334 78 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 78 V C 0.131 176.233 176.094 0.013 0.000 1.016 78 V CA -0.631 61.672 62.300 0.006 0.000 0.832 78 V CB 1.665 33.491 31.823 0.004 0.000 0.999 78 V HN 0.234 nan 8.190 nan 0.000 0.439 79 V N 5.248 125.171 119.914 0.014 0.000 2.461 79 V HA 0.326 4.446 4.120 -0.000 0.000 0.275 79 V C 0.233 176.342 176.094 0.024 0.000 1.047 79 V CA -0.412 61.901 62.300 0.021 0.000 0.955 79 V CB 1.157 32.992 31.823 0.020 0.000 0.988 79 V HN 0.912 nan 8.190 nan 0.000 0.471 80 E N 3.088 123.309 120.200 0.035 0.000 2.145 80 E HA 0.244 4.594 4.350 -0.000 0.000 0.262 80 E C -1.024 175.609 176.600 0.054 0.000 0.883 80 E CA -0.594 55.828 56.400 0.037 0.000 0.748 80 E CB 1.636 31.357 29.700 0.035 0.000 1.140 80 E HN 0.559 nan 8.360 nan 0.000 0.417 81 D N 3.736 124.162 120.400 0.042 0.000 2.422 81 D HA 0.038 4.678 4.640 -0.000 0.000 0.227 81 D C 0.578 176.905 176.300 0.046 0.000 1.190 81 D CA -0.241 53.789 54.000 0.051 0.000 0.905 81 D CB 1.152 41.972 40.800 0.034 0.000 1.034 81 D HN 0.347 nan 8.370 nan 0.000 0.507 82 V N 1.637 121.593 119.914 0.070 0.000 3.578 82 V HA 0.608 4.728 4.120 -0.000 0.000 0.290 82 V C 0.657 176.754 176.094 0.006 0.000 1.376 82 V CA 0.374 62.684 62.300 0.017 0.000 1.083 82 V CB 0.276 32.078 31.823 -0.036 0.000 0.911 82 V HN 0.458 nan 8.190 nan 0.000 0.433 83 G N -1.543 107.299 108.800 0.071 0.000 2.579 83 G HA2 0.548 4.508 3.960 -0.000 0.000 0.292 83 G HA3 0.548 4.508 3.960 -0.000 0.000 0.292 83 G C 0.373 175.323 174.900 0.083 0.000 1.484 83 G CA -0.034 45.107 45.100 0.069 0.000 0.813 83 G HN 0.493 nan 8.290 nan 0.000 0.515 84 A N -0.267 122.587 122.820 0.057 0.000 2.032 84 A HA 0.330 4.650 4.320 -0.000 0.000 0.221 84 A C 1.936 179.551 177.584 0.052 0.000 1.165 84 A CA 2.895 54.958 52.037 0.044 0.000 0.645 84 A CB -0.168 18.850 19.000 0.030 0.000 0.807 84 A HN 2.036 nan 8.150 nan 0.000 0.453 85 A N -2.631 120.239 122.820 0.083 0.000 2.594 85 A HA 0.617 4.937 4.320 -0.000 0.000 0.292 85 A C -0.360 177.285 177.584 0.101 0.000 1.026 85 A CA -0.311 51.763 52.037 0.062 0.000 0.983 85 A CB 0.116 19.140 19.000 0.040 0.000 1.233 85 A HN 0.368 nan 8.150 nan 0.000 0.519 86 F N 0.035 119.972 119.950 -0.021 0.000 2.573 86 F HA 0.583 5.110 4.527 -0.000 0.000 0.316 86 F C -1.085 174.704 175.800 -0.019 0.000 1.148 86 F CA -0.638 57.348 58.000 -0.023 0.000 0.940 86 F CB 2.011 40.998 39.000 -0.021 0.000 1.214 86 F HN -0.089 nan 8.300 nan 0.000 0.448 87 V N 5.910 125.900 119.914 0.127 0.000 2.656 87 V HA 0.600 4.720 4.120 -0.000 0.000 0.307 87 V C -0.575 175.598 176.094 0.132 0.000 1.051 87 V CA -0.805 61.571 62.300 0.127 0.000 0.893 87 V CB 2.233 34.072 31.823 0.027 0.000 0.999 87 V HN 0.700 nan 8.190 nan 0.000 0.426 88 R N 2.252 122.849 120.500 0.160 0.000 2.711 88 R HA 0.900 5.240 4.340 -0.000 0.000 0.284 88 R C -1.679 174.659 176.300 0.063 0.000 0.968 88 R CA -0.755 55.421 56.100 0.127 0.000 0.924 88 R CB 2.520 32.910 30.300 0.149 0.000 1.162 88 R HN 0.497 nan 8.270 nan 0.000 0.465 89 V N 1.575 121.514 119.914 0.041 0.000 2.668 89 V HA 0.127 4.247 4.120 -0.000 0.000 0.304 89 V C -1.031 175.076 176.094 0.021 0.000 1.071 89 V CA -0.878 61.438 62.300 0.028 0.000 0.894 89 V CB 2.067 33.905 31.823 0.025 0.000 1.008 89 V HN 0.671 nan 8.190 nan 0.000 0.425 90 D N 3.513 123.924 120.400 0.017 0.000 2.313 90 D HA 0.465 5.105 4.640 -0.000 0.000 0.239 90 D C 0.837 177.147 176.300 0.016 0.000 1.142 90 D CA 0.031 54.040 54.000 0.015 0.000 0.847 90 D CB 2.120 42.927 40.800 0.012 0.000 1.082 90 D HN 0.641 nan 8.370 nan 0.000 0.480 91 A N 2.773 125.607 122.820 0.023 0.000 2.209 91 A HA 0.017 4.337 4.320 -0.000 0.000 0.212 91 A C 1.428 179.014 177.584 0.004 0.000 1.158 91 A CA 0.155 52.206 52.037 0.023 0.000 0.742 91 A CB -0.627 18.399 19.000 0.044 0.000 0.790 91 A HN 0.818 nan 8.150 nan 0.000 0.472 92 C N -0.811 118.495 119.300 0.010 0.000 4.167 92 C HA -0.190 4.270 4.460 -0.000 0.000 0.302 92 C C 0.980 175.927 174.990 -0.072 0.000 1.384 92 C CA 0.865 59.873 59.018 -0.018 0.000 2.041 92 C CB -3.034 24.687 27.740 -0.031 0.000 1.303 92 C HN 0.956 nan 8.230 nan 0.000 0.718 93 N N -1.394 117.279 118.700 -0.045 0.000 2.800 93 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 93 N C 0.282 175.627 175.510 -0.275 0.000 1.078 93 N CA 1.881 54.822 53.050 -0.182 0.000 0.804 93 N CB -0.941 37.307 38.487 -0.399 0.000 1.135 93 N HN 1.107 nan 8.380 nan 0.000 0.565 94 G N -1.488 107.208 108.800 -0.174 0.000 2.568 94 G HA2 0.573 4.533 3.960 -0.000 0.000 0.293 94 G HA3 0.573 4.533 3.960 -0.000 0.000 0.293 94 G C -0.243 174.517 174.900 -0.233 0.000 1.347 94 G CA -0.702 44.224 45.100 -0.290 0.000 1.039 94 G HN 0.107 nan 8.290 nan 0.000 0.523 95 F N -0.345 119.587 119.950 -0.029 0.000 2.444 95 F HA 0.402 4.929 4.527 -0.000 0.000 0.331 95 F C 1.739 177.547 175.800 0.014 0.000 1.167 95 F CA 0.331 58.344 58.000 0.022 0.000 1.262 95 F CB 1.246 40.233 39.000 -0.022 0.000 1.196 95 F HN 0.449 nan 8.300 nan 0.000 0.583 96 A N 1.090 124.042 122.820 0.221 0.000 1.929 96 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 96 A C 1.946 179.563 177.584 0.055 0.000 1.176 96 A CA 1.106 53.215 52.037 0.120 0.000 0.628 96 A CB -0.615 18.485 19.000 0.167 0.000 0.816 96 A HN 0.803 nan 8.150 nan 0.000 0.444 97 Q N -0.104 119.688 119.800 -0.012 0.000 2.096 97 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 97 Q C -0.576 175.410 176.000 -0.023 0.000 0.982 97 Q CA 2.407 58.178 55.803 -0.053 0.000 0.850 97 Q CB -1.402 27.255 28.738 -0.135 0.000 0.901 97 Q HN 0.506 nan 8.270 nan 0.000 0.422 98 P HA -0.092 nan 4.420 nan 0.000 0.219 98 P C 0.566 177.870 177.300 0.007 0.000 1.150 98 P CA 1.684 64.779 63.100 -0.008 0.000 0.814 98 P CB -0.044 31.661 31.700 0.008 0.000 0.787 99 A N -0.411 122.425 122.820 0.026 0.000 1.898 99 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 99 A C 2.069 179.671 177.584 0.030 0.000 1.181 99 A CA 1.305 53.358 52.037 0.027 0.000 0.620 99 A CB -1.611 17.412 19.000 0.038 0.000 0.819 99 A HN 0.159 nan 8.150 nan 0.000 0.442 100 L N -0.019 121.226 121.223 0.038 0.000 2.017 100 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 100 L C 2.564 179.460 176.870 0.042 0.000 1.073 100 L CA 2.338 57.211 54.840 0.056 0.000 0.745 100 L CB -0.976 41.127 42.059 0.073 0.000 0.894 100 L HN 0.314 nan 8.230 nan 0.000 0.432 101 A N -0.301 122.524 122.820 0.009 0.000 1.933 101 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 101 A C 2.455 180.038 177.584 -0.002 0.000 1.175 101 A CA 1.833 53.863 52.037 -0.012 0.000 0.628 101 A CB -1.195 17.785 19.000 -0.034 0.000 0.814 101 A HN 0.623 nan 8.150 nan 0.000 0.444 102 A N -0.692 122.130 122.820 0.004 0.000 1.972 102 A HA 0.246 4.566 4.320 -0.000 0.000 0.219 102 A C 2.172 179.765 177.584 0.015 0.000 1.169 102 A CA 1.887 53.927 52.037 0.005 0.000 0.635 102 A CB -0.540 18.463 19.000 0.006 0.000 0.810 102 A HN 1.129 nan 8.150 nan 0.000 0.446 103 A N -1.417 121.419 122.820 0.027 0.000 2.390 103 A HA 0.283 4.602 4.320 -0.000 0.000 0.232 103 A C 1.854 179.473 177.584 0.057 0.000 1.233 103 A CA 0.565 52.624 52.037 0.036 0.000 0.907 103 A CB -0.315 18.706 19.000 0.034 0.000 0.967 103 A HN 0.481 nan 8.150 nan 0.000 0.512 104 R N 1.086 121.625 120.500 0.066 0.000 2.094 104 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 104 R C 2.414 178.768 176.300 0.089 0.000 1.137 104 R CA 2.407 58.571 56.100 0.106 0.000 0.943 104 R CB -0.252 30.064 30.300 0.026 0.000 0.850 104 R HN 0.602 nan 8.270 nan 0.000 0.433 105 S N 0.685 116.408 115.700 0.039 0.000 2.368 105 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 105 S C 2.004 176.628 174.600 0.041 0.000 1.030 105 S CA 1.267 59.486 58.200 0.031 0.000 0.999 105 S CB -0.587 62.620 63.200 0.012 0.000 0.844 105 S HN 0.377 nan 8.310 nan 0.000 0.459 106 L N 0.981 122.227 121.223 0.037 0.000 2.046 106 L HA 0.144 4.484 4.340 -0.000 0.000 0.208 106 L C 2.295 179.187 176.870 0.036 0.000 1.077 106 L CA 1.495 56.354 54.840 0.032 0.000 0.747 106 L CB -0.955 41.121 42.059 0.028 0.000 0.896 106 L HN 0.406 nan 8.230 nan 0.000 0.432 107 L N -0.449 120.804 121.223 0.050 0.000 2.017 107 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 107 L C 2.349 179.247 176.870 0.046 0.000 1.073 107 L CA 1.900 56.760 54.840 0.034 0.000 0.745 107 L CB -0.511 41.579 42.059 0.051 0.000 0.894 107 L HN 0.305 nan 8.230 nan 0.000 0.432 108 I N -0.550 120.086 120.570 0.111 0.000 2.252 108 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 108 I C 2.007 178.155 176.117 0.051 0.000 1.102 108 I CA 1.180 62.547 61.300 0.111 0.000 1.385 108 I CB -0.571 37.510 38.000 0.134 0.000 1.064 108 I HN 0.290 nan 8.210 nan 0.000 0.414 109 D N 1.239 121.662 120.400 0.039 0.000 2.104 109 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 109 D C 2.183 178.492 176.300 0.015 0.000 0.994 109 D CA 1.326 55.341 54.000 0.024 0.000 0.830 109 D CB -0.157 40.656 40.800 0.021 0.000 0.959 109 D HN 0.315 nan 8.370 nan 0.000 0.452 110 K N 0.590 120.997 120.400 0.012 0.000 2.057 110 K HA -0.021 4.298 4.320 -0.000 0.000 0.206 110 K C 2.185 178.779 176.600 -0.010 0.000 1.050 110 K CA 1.058 57.347 56.287 0.003 0.000 0.935 110 K CB -0.094 32.407 32.500 0.002 0.000 0.715 110 K HN 0.014 nan 8.250 nan 0.000 0.439 111 A N 1.790 124.597 122.820 -0.021 0.000 1.908 111 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 111 A C 2.077 179.647 177.584 -0.023 0.000 1.181 111 A CA 1.448 53.461 52.037 -0.040 0.000 0.627 111 A CB -0.416 18.548 19.000 -0.060 0.000 0.818 111 A HN 0.219 nan 8.150 nan 0.000 0.445 112 R N -0.980 119.517 120.500 -0.005 0.000 2.115 112 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 112 R C 2.598 178.898 176.300 -0.001 0.000 1.111 112 R CA 1.318 57.417 56.100 -0.000 0.000 0.976 112 R CB -0.301 30.005 30.300 0.011 0.000 0.870 112 R HN 0.562 nan 8.270 nan 0.000 0.445 113 S N 0.315 116.016 115.700 0.001 0.000 2.336 113 S HA -0.008 4.462 4.470 -0.000 0.000 0.216 113 S C 1.970 176.570 174.600 -0.000 0.000 1.032 113 S CA 0.967 59.168 58.200 0.002 0.000 0.973 113 S CB -0.010 63.193 63.200 0.006 0.000 0.888 113 S HN 0.389 nan 8.310 nan 0.000 0.455 114 A N -0.466 122.353 122.820 -0.002 0.000 2.067 114 A HA 0.458 4.778 4.320 -0.000 0.000 0.217 114 A C 1.826 179.404 177.584 -0.010 0.000 1.156 114 A CA 1.397 53.433 52.037 -0.002 0.000 0.683 114 A CB -0.891 18.110 19.000 0.002 0.000 0.808 114 A HN 1.344 nan 8.150 nan 0.000 0.455 115 G N -2.560 106.230 108.800 -0.018 0.000 2.284 115 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.216 115 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.216 115 G C 0.273 175.147 174.900 -0.044 0.000 1.009 115 G CA 0.441 45.525 45.100 -0.027 0.000 0.625 115 G HN 1.683 nan 8.290 nan 0.000 0.501 116 V N -0.098 119.788 119.914 -0.046 0.000 3.147 116 V HA 0.928 5.048 4.120 -0.000 0.000 0.299 116 V C -1.134 174.916 176.094 -0.074 0.000 1.302 116 V CA 0.453 62.710 62.300 -0.071 0.000 1.015 116 V CB 1.925 33.711 31.823 -0.063 0.000 1.086 116 V HN 2.139 nan 8.190 nan 0.000 0.437 117 A N 5.388 128.137 122.820 -0.118 0.000 2.574 117 A HA 0.881 5.201 4.320 -0.000 0.000 0.297 117 A C -1.630 175.819 177.584 -0.225 0.000 1.062 117 A CA -0.507 51.449 52.037 -0.134 0.000 0.686 117 A CB 1.657 20.595 19.000 -0.103 0.000 1.285 117 A HN 0.894 nan 8.150 nan 0.000 0.403 118 I N 1.230 121.606 120.570 -0.323 0.000 2.530 118 I HA 0.491 4.661 4.170 -0.000 0.000 0.297 118 I C -1.186 174.641 176.117 -0.484 0.000 1.011 118 I CA -0.923 60.088 61.300 -0.482 0.000 1.107 118 I CB 1.960 39.482 38.000 -0.798 0.000 1.285 118 I HN 0.590 nan 8.210 nan 0.000 0.436 119 L N 6.437 127.445 121.223 -0.358 0.000 2.343 119 L HA 0.706 5.046 4.340 -0.000 0.000 0.278 119 L C -0.610 176.140 176.870 -0.200 0.000 0.996 119 L CA -0.220 54.484 54.840 -0.227 0.000 0.831 119 L CB 1.379 43.362 42.059 -0.127 0.000 1.232 119 L HN 0.610 nan 8.230 nan 0.000 0.413 120 A N 6.990 129.723 122.820 -0.144 0.000 2.316 120 A HA 0.677 4.997 4.320 -0.000 0.000 0.324 120 A C -0.526 177.053 177.584 -0.008 0.000 1.375 120 A CA -0.397 51.603 52.037 -0.061 0.000 0.882 120 A CB -0.092 18.928 19.000 0.033 0.000 1.152 120 A HN 0.691 nan 8.150 nan 0.000 0.512 121 I N 3.198 123.759 120.570 -0.016 0.000 2.365 121 I HA 0.443 4.613 4.170 -0.000 0.000 0.291 121 I C 0.633 176.737 176.117 -0.021 0.000 1.004 121 I CA -0.392 60.907 61.300 -0.001 0.000 1.311 121 I CB 1.230 39.242 38.000 0.020 0.000 1.401 121 I HN 0.828 nan 8.210 nan 0.000 0.491 122 R N 3.694 124.180 120.500 -0.023 0.000 2.807 122 R HA 0.713 5.053 4.340 -0.000 0.000 0.276 122 R C 0.294 176.571 176.300 -0.038 0.000 0.979 122 R CA -0.570 55.491 56.100 -0.064 0.000 0.928 122 R CB 1.602 31.859 30.300 -0.073 0.000 1.191 122 R HN 0.761 nan 8.270 nan 0.000 0.471 123 G N 0.991 109.737 108.800 -0.089 0.000 2.246 123 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.273 123 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.273 123 G C -0.269 174.725 174.900 0.157 0.000 1.055 123 G CA 0.535 45.683 45.100 0.080 0.000 0.851 123 G HN 0.959 nan 8.290 nan 0.000 0.500 124 S N -0.578 115.146 115.700 0.041 0.000 2.621 124 S HA 0.776 5.246 4.470 -0.000 0.000 0.302 124 S C -0.408 174.197 174.600 0.008 0.000 1.093 124 S CA -1.020 57.229 58.200 0.081 0.000 1.017 124 S CB 1.772 65.022 63.200 0.082 0.000 1.077 124 S HN 0.368 nan 8.310 nan 0.000 0.517 125 H N 1.383 120.464 119.070 0.018 0.000 2.551 125 H HA 0.330 4.886 4.556 -0.000 0.000 0.321 125 H C -0.902 174.599 175.328 0.289 0.000 1.028 125 H CA -0.379 55.714 56.048 0.075 0.000 1.215 125 H CB 1.010 30.665 29.762 -0.179 0.000 1.414 125 H HN 0.657 nan 8.280 nan 0.000 0.480 126 H N 4.036 123.295 119.070 0.316 0.000 2.638 126 H HA 0.067 4.623 4.556 -0.000 0.000 0.317 126 H C -1.118 174.439 175.328 0.382 0.000 1.006 126 H CA -0.647 55.586 56.048 0.308 0.000 1.222 126 H CB 0.506 30.371 29.762 0.171 0.000 1.419 126 H HN 0.517 nan 8.280 nan 0.000 0.489 127 F N 4.048 124.154 119.950 0.260 0.000 2.850 127 F HA 0.551 5.078 4.527 -0.000 0.000 0.329 127 F C -0.441 175.428 175.800 0.115 0.000 1.182 127 F CA -0.203 57.864 58.000 0.112 0.000 1.270 127 F CB -0.162 38.686 39.000 -0.253 0.000 0.979 127 F HN 0.585 nan 8.300 nan 0.000 0.506 128 A N -0.043 122.923 122.820 0.243 0.000 2.525 128 A HA 0.880 5.200 4.320 -0.000 0.000 0.291 128 A C -0.728 176.772 177.584 -0.140 0.000 1.268 128 A CA -0.346 51.716 52.037 0.042 0.000 0.712 128 A CB 0.163 19.157 19.000 -0.010 0.000 1.320 128 A HN 0.288 nan 8.150 nan 0.000 0.456 129 A N -1.114 121.419 122.820 -0.478 0.000 2.313 129 A HA 0.546 4.865 4.320 -0.000 0.000 0.261 129 A C 0.369 177.767 177.584 -0.310 0.000 1.090 129 A CA -0.106 51.562 52.037 -0.614 0.000 0.807 129 A CB -0.046 18.546 19.000 -0.681 0.000 1.055 129 A HN 0.922 nan 8.150 nan 0.000 0.492 130 L N 0.292 121.381 121.223 -0.223 0.000 2.463 130 L HA 0.040 4.380 4.340 -0.000 0.000 0.219 130 L C 2.254 179.093 176.870 -0.051 0.000 1.088 130 L CA 0.672 55.452 54.840 -0.100 0.000 0.849 130 L CB -0.501 41.516 42.059 -0.070 0.000 1.012 130 L HN 0.981 nan 8.230 nan 0.000 0.468 131 W N -0.006 121.292 121.300 -0.003 0.000 2.350 131 W HA -0.094 4.566 4.660 0.000 0.000 0.289 131 W C -0.996 175.532 176.519 0.016 0.000 1.215 131 W CA 0.607 57.949 57.345 -0.006 0.000 1.236 131 W CB -2.272 27.174 29.460 -0.024 0.000 1.130 131 W HN 0.233 nan 8.180 nan 0.000 0.541 132 P HA -0.092 nan 4.420 nan 0.000 0.223 132 P C 1.099 178.357 177.300 -0.069 0.000 1.151 132 P CA 1.916 64.828 63.100 -0.314 0.000 0.787 132 P CB -0.115 31.199 31.700 -0.643 0.000 0.788 133 D N -1.100 119.288 120.400 -0.020 0.000 2.162 133 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 133 D C 1.882 178.300 176.300 0.197 0.000 0.967 133 D CA 1.202 55.251 54.000 0.082 0.000 0.840 133 D CB -0.347 40.525 40.800 0.119 0.000 0.972 133 D HN 0.154 nan 8.370 nan 0.000 0.482 134 V N -1.271 118.746 119.914 0.172 0.000 3.125 134 V HA 0.076 4.196 4.120 -0.000 0.000 0.249 134 V C 2.129 178.334 176.094 0.186 0.000 1.113 134 V CA 0.680 63.109 62.300 0.215 0.000 1.106 134 V CB -0.244 31.604 31.823 0.043 0.000 0.768 134 V HN -0.039 nan 8.190 nan 0.000 0.468 135 E N 1.699 121.996 120.200 0.162 0.000 2.070 135 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 135 E C -0.101 176.540 176.600 0.068 0.000 1.004 135 E CA 2.270 58.760 56.400 0.150 0.000 0.805 135 E CB -1.012 28.846 29.700 0.265 0.000 0.744 135 E HN 0.527 nan 8.360 nan 0.000 0.451 136 P HA -0.143 nan 4.420 nan 0.000 0.216 136 P C 0.772 177.940 177.300 -0.220 0.000 1.150 136 P CA 1.248 64.248 63.100 -0.168 0.000 0.837 136 P CB -0.134 31.376 31.700 -0.316 0.000 0.786 137 F N -0.075 119.857 119.950 -0.030 0.000 2.146 137 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 137 F C 2.472 178.233 175.800 -0.064 0.000 1.096 137 F CA 1.347 59.313 58.000 -0.055 0.000 1.275 137 F CB -1.466 37.485 39.000 -0.082 0.000 1.008 137 F HN -0.121 nan 8.300 nan 0.000 0.480 138 A N -0.126 122.755 122.820 0.102 0.000 1.969 138 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 138 A C 2.060 179.659 177.584 0.025 0.000 1.169 138 A CA 1.501 53.555 52.037 0.028 0.000 0.635 138 A CB -0.729 18.268 19.000 -0.005 0.000 0.810 138 A HN 0.434 nan 8.150 nan 0.000 0.445 139 E N -0.251 119.957 120.200 0.013 0.000 2.265 139 E HA -0.187 4.162 4.350 -0.000 0.000 0.196 139 E C 1.381 177.978 176.600 -0.005 0.000 0.996 139 E CA 1.060 57.457 56.400 -0.005 0.000 0.832 139 E CB -0.115 29.574 29.700 -0.018 0.000 0.756 139 E HN 0.730 nan 8.360 nan 0.000 0.491 140 Q N -0.692 119.109 119.800 0.001 0.000 2.246 140 Q HA 0.134 4.474 4.340 -0.000 0.000 0.202 140 Q C 0.692 176.709 176.000 0.029 0.000 0.883 140 Q CA 0.288 56.097 55.803 0.009 0.000 0.952 140 Q CB 1.105 29.845 28.738 0.003 0.000 1.078 140 Q HN 0.367 nan 8.270 nan 0.000 0.493 141 G N 0.799 109.619 108.800 0.034 0.000 2.159 141 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 141 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 141 G C 0.003 174.912 174.900 0.014 0.000 0.977 141 G CA -0.011 45.115 45.100 0.044 0.000 0.652 141 G HN 0.270 nan 8.290 nan 0.000 0.531 142 L N -0.114 121.113 121.223 0.007 0.000 2.352 142 L HA 0.755 5.094 4.340 -0.000 0.000 0.269 142 L C 0.574 177.367 176.870 -0.129 0.000 1.034 142 L CA -1.409 53.402 54.840 -0.048 0.000 0.806 142 L CB 1.871 43.947 42.059 0.027 0.000 1.244 142 L HN -0.086 nan 8.230 nan 0.000 0.447 143 V N 1.135 120.903 119.914 -0.243 0.000 2.472 143 V HA 0.730 4.850 4.120 -0.000 0.000 0.290 143 V C 0.051 175.962 176.094 -0.306 0.000 1.037 143 V CA -0.386 61.707 62.300 -0.345 0.000 0.908 143 V CB 1.447 33.025 31.823 -0.408 0.000 0.985 143 V HN 0.856 nan 8.190 nan 0.000 0.454 144 A N 5.008 127.605 122.820 -0.372 0.000 2.393 144 A HA 0.881 5.201 4.320 -0.000 0.000 0.306 144 A C -1.502 175.934 177.584 -0.247 0.000 1.050 144 A CA -0.514 51.334 52.037 -0.315 0.000 0.724 144 A CB 1.585 20.419 19.000 -0.278 0.000 1.248 144 A HN 0.772 nan 8.150 nan 0.000 0.424 145 L N 1.673 122.819 121.223 -0.127 0.000 2.385 145 L HA 0.842 5.182 4.340 -0.000 0.000 0.273 145 L C -0.280 176.560 176.870 -0.051 0.000 0.990 145 L CA 0.132 54.973 54.840 0.002 0.000 0.821 145 L CB 1.981 44.099 42.059 0.098 0.000 1.279 145 L HN 0.703 nan 8.230 nan 0.000 0.412 146 S N 4.469 120.154 115.700 -0.026 0.000 2.549 146 S HA 0.924 5.393 4.470 -0.000 0.000 0.280 146 S C -1.110 173.485 174.600 -0.008 0.000 1.109 146 S CA -0.554 57.627 58.200 -0.030 0.000 0.905 146 S CB 1.211 64.396 63.200 -0.024 0.000 1.081 146 S HN 0.577 nan 8.310 nan 0.000 0.477 147 M N 2.928 122.517 119.600 -0.018 0.000 2.446 147 M HA 0.615 5.095 4.480 -0.000 0.000 0.294 147 M C -1.499 174.782 176.300 -0.032 0.000 1.158 147 M CA -0.462 54.831 55.300 -0.012 0.000 0.899 147 M CB 2.221 34.821 32.600 0.000 0.000 1.687 147 M HN 0.301 nan 8.290 nan 0.000 0.455 148 V N 2.989 122.877 119.914 -0.044 0.000 2.623 148 V HA 0.554 4.674 4.120 -0.000 0.000 0.304 148 V C -1.042 175.046 176.094 -0.011 0.000 1.054 148 V CA -1.020 61.246 62.300 -0.056 0.000 0.882 148 V CB 2.200 33.918 31.823 -0.175 0.000 1.002 148 V HN 0.975 nan 8.190 nan 0.000 0.424 149 N N 3.014 121.724 118.700 0.017 0.000 2.487 149 N HA 0.477 5.217 4.740 -0.000 0.000 0.292 149 N C 0.098 175.673 175.510 0.108 0.000 1.108 149 N CA -0.201 52.888 53.050 0.065 0.000 0.956 149 N CB 2.304 40.839 38.487 0.079 0.000 1.176 149 N HN 0.624 nan 8.380 nan 0.000 0.484 150 S N 1.451 117.249 115.700 0.164 0.000 4.150 150 S HA 0.438 4.908 4.470 -0.000 0.000 0.193 150 S C 0.224 175.023 174.600 0.332 0.000 1.010 150 S CA -0.546 57.795 58.200 0.237 0.000 1.650 150 S CB 0.326 63.659 63.200 0.222 0.000 0.823 150 S HN 0.679 nan 8.310 nan 0.000 0.794 151 M N 1.897 121.654 119.600 0.261 0.000 2.395 151 M HA 0.452 4.932 4.480 -0.000 0.000 0.307 151 M C -1.313 175.000 176.300 0.023 0.000 1.091 151 M CA -0.293 55.079 55.300 0.121 0.000 0.919 151 M CB 2.093 34.722 32.600 0.048 0.000 1.662 151 M HN 0.552 nan 8.290 nan 0.000 0.440 152 T N 3.653 118.171 114.554 -0.060 0.000 2.709 152 T HA 0.054 4.404 4.350 -0.000 0.000 0.269 152 T C 0.489 175.193 174.700 0.007 0.000 1.008 152 T CA 0.579 62.686 62.100 0.011 0.000 1.194 152 T CB -0.709 68.148 68.868 -0.019 0.000 0.986 152 T HN 0.902 nan 8.240 nan 0.000 0.508 153 C N 1.397 120.740 119.300 0.072 0.000 4.210 153 C HA 0.346 4.806 4.460 -0.000 0.000 0.334 153 C C -0.210 174.838 174.990 0.097 0.000 2.231 153 C CA -0.656 58.414 59.018 0.087 0.000 1.540 153 C CB -0.747 27.086 27.740 0.155 0.000 2.780 153 C HN 0.519 nan 8.230 nan 0.000 0.536 154 V N 2.600 122.580 119.914 0.110 0.000 2.398 154 V HA 0.548 4.668 4.120 -0.000 0.000 0.286 154 V C 0.089 176.180 176.094 -0.004 0.000 1.026 154 V CA -0.207 62.160 62.300 0.110 0.000 0.868 154 V CB 1.706 33.665 31.823 0.226 0.000 0.982 154 V HN 0.250 nan 8.190 nan 0.000 0.443 155 V N 7.874 127.774 119.914 -0.024 0.000 2.427 155 V HA 0.216 4.336 4.120 -0.000 0.000 0.268 155 V C -2.079 173.937 176.094 -0.131 0.000 1.046 155 V CA -1.572 60.662 62.300 -0.110 0.000 0.970 155 V CB 0.924 32.705 31.823 -0.070 0.000 1.001 155 V HN 0.754 nan 8.190 nan 0.000 0.476 156 P HA 0.011 nan 4.420 nan 0.000 0.267 156 P C -0.153 177.123 177.300 -0.040 0.000 1.200 156 P CA -0.059 62.882 63.100 -0.264 0.000 0.772 156 P CB 0.215 31.585 31.700 -0.550 0.000 0.855 157 H N 2.109 121.184 119.070 0.008 0.000 3.157 157 H HA 0.214 4.770 4.556 -0.000 0.000 0.299 157 H C 1.628 176.948 175.328 -0.013 0.000 0.961 157 H CA 2.161 58.219 56.048 0.016 0.000 1.428 157 H CB -0.605 29.196 29.762 0.066 0.000 1.459 157 H HN 0.734 nan 8.280 nan 0.000 0.566 158 G N 2.330 110.843 108.800 -0.479 0.000 2.176 158 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.253 158 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.253 158 G C 0.484 175.274 174.900 -0.184 0.000 0.979 158 G CA 0.291 45.191 45.100 -0.332 0.000 0.641 158 G HN 0.972 nan 8.290 nan 0.000 0.530 159 A N -0.468 122.254 122.820 -0.163 0.000 2.246 159 A HA 0.831 5.151 4.320 -0.000 0.000 0.291 159 A C 1.268 178.773 177.584 -0.131 0.000 1.103 159 A CA 0.510 52.459 52.037 -0.148 0.000 0.844 159 A CB 0.454 19.344 19.000 -0.184 0.000 1.136 159 A HN 0.446 nan 8.150 nan 0.000 0.500 160 R N -0.984 119.443 120.500 -0.121 0.000 2.279 160 R HA 0.180 4.520 4.340 -0.000 0.000 0.195 160 R C -0.345 175.898 176.300 -0.096 0.000 0.905 160 R CA 0.161 56.202 56.100 -0.098 0.000 1.044 160 R CB 0.217 30.466 30.300 -0.085 0.000 1.056 160 R HN 0.632 nan 8.270 nan 0.000 0.535 161 Q N 0.763 120.491 119.800 -0.120 0.000 2.451 161 Q HA 0.415 4.755 4.340 -0.000 0.000 0.281 161 Q C -2.651 173.262 176.000 -0.145 0.000 1.099 161 Q CA -2.428 53.305 55.803 -0.115 0.000 0.806 161 Q CB 2.247 30.915 28.738 -0.115 0.000 1.419 161 Q HN -0.087 nan 8.270 nan 0.000 0.427 162 P HA 0.141 nan 4.420 nan 0.000 0.272 162 P C -0.222 176.983 177.300 -0.158 0.000 1.223 162 P CA -0.100 62.932 63.100 -0.113 0.000 0.784 162 P CB 1.321 32.993 31.700 -0.046 0.000 0.923 163 L N 1.260 122.372 121.223 -0.184 0.000 2.406 163 L HA 0.343 4.683 4.340 -0.000 0.000 0.228 163 L C 0.096 177.056 176.870 0.151 0.000 1.081 163 L CA 0.504 55.248 54.840 -0.160 0.000 1.089 163 L CB -0.066 41.728 42.059 -0.441 0.000 2.191 163 L HN 0.019 nan 8.230 nan 0.000 0.520 164 F N 0.942 120.954 119.950 0.104 0.000 2.403 164 F HA 0.601 5.128 4.527 -0.000 0.000 0.320 164 F C 1.452 177.325 175.800 0.121 0.000 1.176 164 F CA -0.664 57.417 58.000 0.135 0.000 1.206 164 F CB -0.380 38.683 39.000 0.105 0.000 1.235 164 F HN 0.091 nan 8.300 nan 0.000 0.565 165 G N -0.636 108.369 108.800 0.341 0.000 2.537 165 G HA2 0.389 4.349 3.960 -0.000 0.000 0.297 165 G HA3 0.389 4.349 3.960 -0.000 0.000 0.297 165 G C 0.594 175.631 174.900 0.228 0.000 1.310 165 G CA -0.051 45.189 45.100 0.234 0.000 1.027 165 G HN 0.690 nan 8.290 nan 0.000 0.505 166 T N -1.537 113.138 114.554 0.201 0.000 3.051 166 T HA -0.088 4.261 4.350 -0.000 0.000 0.269 166 T C 0.779 175.574 174.700 0.157 0.000 1.127 166 T CA 0.469 62.684 62.100 0.192 0.000 1.107 166 T CB -0.389 68.598 68.868 0.198 0.000 0.898 166 T HN 0.494 nan 8.240 nan 0.000 0.517 167 N N 2.392 121.172 118.700 0.134 0.000 2.724 167 N HA -0.098 4.642 4.740 -0.000 0.000 0.293 167 N C -2.609 172.946 175.510 0.075 0.000 1.090 167 N CA 0.681 53.783 53.050 0.086 0.000 0.793 167 N CB -0.560 37.960 38.487 0.055 0.000 0.958 167 N HN 0.454 nan 8.380 nan 0.000 0.575 168 P HA 0.314 nan 4.420 nan 0.000 0.276 168 P C 0.063 177.397 177.300 0.056 0.000 1.244 168 P CA -0.238 62.894 63.100 0.055 0.000 0.801 168 P CB 1.187 32.902 31.700 0.025 0.000 1.006 169 I N 0.608 121.243 120.570 0.108 0.000 2.533 169 I HA 0.574 4.744 4.170 -0.000 0.000 0.290 169 I C -0.191 176.045 176.117 0.199 0.000 1.056 169 I CA -0.907 60.481 61.300 0.145 0.000 1.057 169 I CB 2.147 40.272 38.000 0.208 0.000 1.240 169 I HN 0.347 nan 8.210 nan 0.000 0.423 170 A N 5.710 128.579 122.820 0.082 0.000 2.401 170 A HA 0.875 5.194 4.320 -0.000 0.000 0.310 170 A C -1.629 175.836 177.584 -0.198 0.000 1.075 170 A CA -0.427 51.594 52.037 -0.026 0.000 0.746 170 A CB 1.675 20.688 19.000 0.021 0.000 1.277 170 A HN 0.585 nan 8.150 nan 0.000 0.425 171 F N 0.904 120.397 119.950 -0.761 0.000 2.581 171 F HA 0.689 5.216 4.527 -0.000 0.000 0.311 171 F C 0.045 175.602 175.800 -0.405 0.000 1.113 171 F CA -0.167 57.413 58.000 -0.699 0.000 0.935 171 F CB 2.126 40.400 39.000 -1.211 0.000 1.232 171 F HN 0.841 nan 8.300 nan 0.000 0.445 172 G N 3.269 111.510 108.800 -0.931 0.000 2.687 172 G HA2 0.772 4.732 3.960 -0.000 0.000 0.301 172 G HA3 0.772 4.732 3.960 -0.000 0.000 0.301 172 G C -2.144 172.310 174.900 -0.742 0.000 1.416 172 G CA -0.561 44.184 45.100 -0.592 0.000 1.005 172 G HN 1.064 nan 8.290 nan 0.000 0.509 173 A N 3.729 126.313 122.820 -0.394 0.000 2.486 173 A HA 0.960 5.280 4.320 -0.000 0.000 0.300 173 A C -2.931 174.712 177.584 0.099 0.000 1.048 173 A CA -1.484 50.469 52.037 -0.139 0.000 0.696 173 A CB 2.562 21.623 19.000 0.101 0.000 1.278 173 A HN 0.529 nan 8.150 nan 0.000 0.405 174 P HA 0.485 nan 4.420 nan 0.000 0.276 174 P C -1.095 176.314 177.300 0.181 0.000 1.244 174 P CA -0.192 63.004 63.100 0.161 0.000 0.801 174 P CB 0.883 32.671 31.700 0.147 0.000 1.006 175 R N 0.191 120.732 120.500 0.069 0.000 2.673 175 R HA 0.699 5.039 4.340 -0.000 0.000 0.281 175 R C 0.564 176.858 176.300 -0.011 0.000 0.991 175 R CA -0.961 55.143 56.100 0.007 0.000 0.896 175 R CB 1.003 31.296 30.300 -0.013 0.000 1.201 175 R HN 0.260 nan 8.270 nan 0.000 0.457 176 A N 2.147 124.950 122.820 -0.028 0.000 1.972 176 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 176 A C 1.532 179.092 177.584 -0.040 0.000 1.169 176 A CA 1.561 53.578 52.037 -0.034 0.000 0.635 176 A CB -0.535 18.436 19.000 -0.047 0.000 0.810 176 A HN 0.880 nan 8.150 nan 0.000 0.446 177 G N -1.564 107.212 108.800 -0.041 0.000 3.707 177 G HA2 0.504 4.464 3.960 -0.000 0.000 0.286 177 G HA3 0.504 4.464 3.960 -0.000 0.000 0.286 177 G C 0.303 175.176 174.900 -0.044 0.000 1.112 177 G CA 0.628 45.705 45.100 -0.038 0.000 0.861 177 G HN 1.092 nan 8.290 nan 0.000 0.534 178 G N -0.523 108.240 108.800 -0.061 0.000 2.340 178 G HA2 0.404 4.364 3.960 -0.000 0.000 0.299 178 G HA3 0.404 4.364 3.960 -0.000 0.000 0.299 178 G C -1.152 173.659 174.900 -0.148 0.000 1.291 178 G CA -0.919 44.123 45.100 -0.098 0.000 0.841 178 G HN 0.170 nan 8.290 nan 0.000 0.500 179 E N 0.678 120.709 120.200 -0.282 0.000 2.408 179 E HA 0.328 4.678 4.350 -0.000 0.000 0.259 179 E C -2.149 174.308 176.600 -0.238 0.000 1.110 179 E CA -1.038 55.101 56.400 -0.436 0.000 0.929 179 E CB 0.515 29.534 29.700 -1.135 0.000 0.971 179 E HN 0.139 nan 8.360 nan 0.000 0.438 180 P HA -0.074 nan 4.420 nan 0.000 0.265 180 P C -0.671 176.721 177.300 0.154 0.000 1.187 180 P CA 0.598 63.727 63.100 0.048 0.000 0.766 180 P CB 0.333 32.078 31.700 0.076 0.000 0.820 181 I N 2.921 123.569 120.570 0.130 0.000 2.379 181 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 181 I C -0.110 176.096 176.117 0.148 0.000 1.063 181 I CA 0.058 61.464 61.300 0.177 0.000 1.351 181 I CB 0.409 38.526 38.000 0.195 0.000 1.410 181 I HN -0.007 nan 8.210 nan 0.000 0.505 182 V N 7.676 127.687 119.914 0.163 0.000 2.733 182 V HA 0.446 4.566 4.120 -0.000 0.000 0.306 182 V C -0.613 175.579 176.094 0.164 0.000 1.084 182 V CA -0.674 61.682 62.300 0.093 0.000 0.905 182 V CB 1.753 33.617 31.823 0.069 0.000 1.010 182 V HN 0.526 nan 8.190 nan 0.000 0.424 183 F N 1.604 121.653 119.950 0.165 0.000 2.577 183 F HA 0.969 5.496 4.527 -0.000 0.000 0.318 183 F C -0.926 174.955 175.800 0.134 0.000 1.065 183 F CA -1.476 56.592 58.000 0.113 0.000 0.929 183 F CB 1.940 41.004 39.000 0.106 0.000 1.237 183 F HN 0.457 nan 8.300 nan 0.000 0.468 184 D N 3.637 124.312 120.400 0.458 0.000 2.616 184 D HA 0.518 5.158 4.640 -0.000 0.000 0.238 184 D C -1.898 174.555 176.300 0.255 0.000 1.354 184 D CA -0.215 53.983 54.000 0.331 0.000 0.970 184 D CB 1.557 42.545 40.800 0.313 0.000 1.369 184 D HN 0.840 nan 8.370 nan 0.000 0.585 185 L N 0.850 122.204 121.223 0.219 0.000 2.422 185 L HA 1.028 5.368 4.340 -0.000 0.000 0.264 185 L C -0.421 176.470 176.870 0.035 0.000 0.984 185 L CA -1.246 53.628 54.840 0.057 0.000 0.819 185 L CB 1.576 43.571 42.059 -0.106 0.000 1.330 185 L HN 0.267 nan 8.230 nan 0.000 0.410 186 A N 0.837 123.667 122.820 0.017 0.000 2.351 186 A HA 0.556 4.876 4.320 -0.000 0.000 0.257 186 A C 1.062 178.669 177.584 0.039 0.000 1.087 186 A CA 0.243 52.315 52.037 0.058 0.000 0.798 186 A CB 0.341 19.398 19.000 0.094 0.000 1.033 186 A HN 1.032 nan 8.150 nan 0.000 0.488 187 T N -0.769 113.870 114.554 0.142 0.000 3.129 187 T HA 0.119 4.469 4.350 -0.000 0.000 0.251 187 T C 0.843 175.773 174.700 0.384 0.000 1.117 187 T CA 0.494 62.781 62.100 0.312 0.000 1.034 187 T CB -0.732 68.298 68.868 0.271 0.000 0.968 187 T HN 0.857 nan 8.240 nan 0.000 0.526 188 S N 0.719 116.565 115.700 0.243 0.000 2.617 188 S HA 0.680 5.150 4.470 -0.000 0.000 0.269 188 S C 1.703 176.435 174.600 0.219 0.000 1.292 188 S CA -0.415 57.922 58.200 0.229 0.000 1.010 188 S CB 1.191 64.503 63.200 0.187 0.000 0.944 188 S HN 0.320 nan 8.310 nan 0.000 0.536 189 A N 1.300 124.241 122.820 0.202 0.000 2.019 189 A HA 0.235 4.555 4.320 -0.000 0.000 0.219 189 A C 0.853 178.500 177.584 0.105 0.000 1.164 189 A CA 1.000 53.143 52.037 0.176 0.000 0.644 189 A CB -0.636 18.448 19.000 0.140 0.000 0.805 189 A HN 0.910 nan 8.150 nan 0.000 0.449 190 I N -2.868 117.759 120.570 0.095 0.000 2.918 190 I HA 0.573 4.743 4.170 -0.000 0.000 0.301 190 I C -0.632 175.541 176.117 0.093 0.000 1.312 190 I CA -1.127 60.215 61.300 0.070 0.000 1.007 190 I CB 1.878 39.907 38.000 0.048 0.000 1.281 190 I HN 0.103 nan 8.210 nan 0.000 0.440 191 A N 4.326 127.203 122.820 0.095 0.000 2.371 191 A HA 0.223 4.543 4.320 -0.000 0.000 0.257 191 A C 0.868 178.544 177.584 0.154 0.000 1.089 191 A CA -0.118 52.006 52.037 0.145 0.000 0.794 191 A CB 0.200 19.292 19.000 0.153 0.000 1.029 191 A HN 0.970 nan 8.150 nan 0.000 0.488 192 H N 2.269 121.417 119.070 0.130 0.000 2.352 192 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 192 H C 2.128 177.533 175.328 0.129 0.000 1.097 192 H CA 2.422 58.551 56.048 0.135 0.000 1.311 192 H CB -0.266 29.597 29.762 0.170 0.000 1.377 192 H HN 0.797 nan 8.280 nan 0.000 0.504 193 G N 0.470 109.445 108.800 0.292 0.000 2.450 193 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 193 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 193 G C 1.398 176.350 174.900 0.087 0.000 1.130 193 G CA 0.902 46.134 45.100 0.220 0.000 0.760 193 G HN 0.439 nan 8.290 nan 0.000 0.557 194 D N 0.020 120.445 120.400 0.043 0.000 2.269 194 D HA -0.026 4.614 4.640 -0.000 0.000 0.208 194 D C 2.643 178.935 176.300 -0.014 0.000 0.963 194 D CA 0.328 54.326 54.000 -0.003 0.000 0.864 194 D CB 0.175 40.978 40.800 0.005 0.000 0.936 194 D HN 0.245 nan 8.370 nan 0.000 0.505 195 V N 1.226 121.118 119.914 -0.036 0.000 2.453 195 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 195 V C 2.443 178.510 176.094 -0.045 0.000 1.048 195 V CA 1.336 63.591 62.300 -0.075 0.000 1.049 195 V CB -0.394 31.313 31.823 -0.193 0.000 0.672 195 V HN 0.168 nan 8.190 nan 0.000 0.457 196 Q N -0.276 119.521 119.800 -0.005 0.000 2.079 196 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 196 Q C 2.294 178.321 176.000 0.045 0.000 0.974 196 Q CA 1.697 57.539 55.803 0.065 0.000 0.840 196 Q CB -0.232 28.616 28.738 0.182 0.000 0.898 196 Q HN 0.559 nan 8.270 nan 0.000 0.430 197 I N 0.946 121.521 120.570 0.008 0.000 2.179 197 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 197 I C 2.503 178.609 176.117 -0.019 0.000 1.088 197 I CA 1.035 62.315 61.300 -0.033 0.000 1.357 197 I CB -0.511 37.437 38.000 -0.088 0.000 1.051 197 I HN 0.157 nan 8.210 nan 0.000 0.409 198 A N 0.806 123.616 122.820 -0.016 0.000 1.940 198 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 198 A C 2.539 180.122 177.584 -0.002 0.000 1.176 198 A CA 1.960 53.990 52.037 -0.011 0.000 0.631 198 A CB -0.798 18.195 19.000 -0.011 0.000 0.814 198 A HN 0.461 nan 8.150 nan 0.000 0.446 199 A N -0.248 122.575 122.820 0.004 0.000 1.877 199 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 199 A C 2.265 179.861 177.584 0.020 0.000 1.186 199 A CA 1.494 53.540 52.037 0.014 0.000 0.620 199 A CB -0.454 18.560 19.000 0.024 0.000 0.822 199 A HN 0.547 nan 8.150 nan 0.000 0.443 200 R N -0.214 120.301 120.500 0.024 0.000 2.092 200 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 200 R C 1.514 177.821 176.300 0.012 0.000 1.119 200 R CA 1.460 57.575 56.100 0.026 0.000 0.970 200 R CB -0.251 30.070 30.300 0.034 0.000 0.864 200 R HN 0.662 nan 8.270 nan 0.000 0.440 201 E N -0.242 119.959 120.200 0.002 0.000 2.502 201 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 201 E C 0.586 177.186 176.600 -0.000 0.000 1.062 201 E CA 0.275 56.673 56.400 -0.003 0.000 0.867 201 E CB 0.419 30.112 29.700 -0.013 0.000 0.888 201 E HN 0.465 nan 8.360 nan 0.000 0.510 202 G N 2.502 111.305 108.800 0.004 0.000 2.249 202 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 202 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 202 G C -0.003 174.898 174.900 0.002 0.000 1.036 202 G CA 0.101 45.204 45.100 0.005 0.000 0.824 202 G HN 0.029 nan 8.290 nan 0.000 0.504 203 R N -0.773 119.727 120.500 -0.000 0.000 2.486 203 R HA 0.624 4.964 4.340 -0.000 0.000 0.286 203 R C 0.830 177.130 176.300 -0.000 0.000 0.999 203 R CA -0.729 55.370 56.100 -0.002 0.000 0.993 203 R CB 1.109 31.406 30.300 -0.005 0.000 1.084 203 R HN 0.278 nan 8.270 nan 0.000 0.487 204 L N 2.726 123.949 121.223 0.001 0.000 2.399 204 L HA 0.474 4.814 4.340 -0.000 0.000 0.265 204 L C 0.243 177.114 176.870 0.002 0.000 1.089 204 L CA -0.730 54.111 54.840 0.002 0.000 0.802 204 L CB 0.693 42.754 42.059 0.003 0.000 1.180 204 L HN 0.253 nan 8.230 nan 0.000 0.454 205 L N 2.160 123.385 121.223 0.003 0.000 2.334 205 L HA 0.510 4.850 4.340 -0.000 0.000 0.272 205 L C -2.091 174.784 176.870 0.009 0.000 1.020 205 L CA -1.928 52.915 54.840 0.005 0.000 0.812 205 L CB 1.549 43.611 42.059 0.005 0.000 1.264 205 L HN 0.375 nan 8.230 nan 0.000 0.439 206 P HA 0.084 nan 4.420 nan 0.000 0.272 206 P C -0.729 176.582 177.300 0.018 0.000 1.240 206 P CA -0.421 62.688 63.100 0.014 0.000 0.791 206 P CB 0.632 32.342 31.700 0.016 0.000 0.978 207 A N 0.438 123.269 122.820 0.018 0.000 2.466 207 A HA 0.419 4.739 4.320 -0.000 0.000 0.238 207 A C 1.426 179.028 177.584 0.029 0.000 1.074 207 A CA 0.719 52.769 52.037 0.021 0.000 0.774 207 A CB -1.423 17.588 19.000 0.019 0.000 1.015 207 A HN 0.913 nan 8.150 nan 0.000 0.498 208 G N 0.354 109.173 108.800 0.031 0.000 2.157 208 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 208 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 208 G C 0.664 175.595 174.900 0.052 0.000 0.979 208 G CA 0.662 45.787 45.100 0.043 0.000 0.650 208 G HN 0.524 nan 8.290 nan 0.000 0.529 209 M N -0.150 119.476 119.600 0.043 0.000 2.357 209 M HA 0.327 4.806 4.480 -0.000 0.000 0.266 209 M C 1.439 177.767 176.300 0.046 0.000 1.095 209 M CA 1.859 57.188 55.300 0.048 0.000 1.156 209 M CB -0.687 31.933 32.600 0.034 0.000 1.365 209 M HN 0.906 nan 8.290 nan 0.000 0.447 210 G N -0.383 108.436 108.800 0.033 0.000 2.554 210 G HA2 0.561 4.520 3.960 -0.000 0.000 0.306 210 G HA3 0.561 4.520 3.960 -0.000 0.000 0.306 210 G C -1.611 173.299 174.900 0.018 0.000 1.320 210 G CA -0.230 44.887 45.100 0.028 0.000 0.800 210 G HN 0.174 nan 8.290 nan 0.000 0.481 211 V N -1.837 118.084 119.914 0.013 0.000 3.102 211 V HA 0.848 4.968 4.120 -0.000 0.000 0.312 211 V C -0.436 175.661 176.094 0.004 0.000 1.135 211 V CA -0.551 61.752 62.300 0.005 0.000 1.022 211 V CB 1.694 33.515 31.823 -0.003 0.000 1.056 211 V HN 1.032 nan 8.190 nan 0.000 0.436 212 D N 1.234 121.635 120.400 0.002 0.000 2.440 212 D HA 0.239 4.879 4.640 -0.000 0.000 0.269 212 D C 1.224 177.524 176.300 0.001 0.000 1.249 212 D CA -0.209 53.793 54.000 0.003 0.000 1.055 212 D CB 0.377 41.179 40.800 0.003 0.000 1.104 212 D HN 0.756 nan 8.370 nan 0.000 0.561 213 R N -0.989 119.512 120.500 0.002 0.000 2.241 213 R HA -0.066 4.274 4.340 -0.000 0.000 0.224 213 R C 0.000 176.296 176.300 -0.008 0.000 1.101 213 R CA 1.100 57.200 56.100 -0.001 0.000 0.995 213 R CB -0.447 29.855 30.300 0.003 0.000 0.870 213 R HN 0.322 nan 8.270 nan 0.000 0.463 214 D N 0.089 120.484 120.400 -0.008 0.000 2.349 214 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 214 D C 0.880 177.169 176.300 -0.018 0.000 1.063 214 D CA 0.833 54.826 54.000 -0.013 0.000 0.847 214 D CB 0.924 41.718 40.800 -0.010 0.000 0.933 214 D HN 0.529 nan 8.370 nan 0.000 0.513 215 G N 1.216 110.005 108.800 -0.018 0.000 2.159 215 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 215 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 215 G C 0.281 175.169 174.900 -0.020 0.000 0.977 215 G CA -0.094 44.992 45.100 -0.023 0.000 0.652 215 G HN 0.315 nan 8.290 nan 0.000 0.531 216 L N 0.877 122.092 121.223 -0.013 0.000 2.350 216 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 216 L C -1.787 175.080 176.870 -0.005 0.000 1.099 216 L CA -2.214 52.620 54.840 -0.010 0.000 0.808 216 L CB 0.999 43.053 42.059 -0.008 0.000 1.149 216 L HN -0.140 nan 8.230 nan 0.000 0.442 217 P HA 0.022 nan 4.420 nan 0.000 0.265 217 P C -0.545 176.757 177.300 0.003 0.000 1.187 217 P CA 0.294 63.396 63.100 0.002 0.000 0.766 217 P CB 0.724 32.426 31.700 0.003 0.000 0.820 218 T N 1.485 116.043 114.554 0.006 0.000 2.894 218 T HA 0.240 4.590 4.350 -0.000 0.000 0.309 218 T C 0.003 174.707 174.700 0.008 0.000 1.208 218 T CA -0.390 61.714 62.100 0.006 0.000 1.016 218 T CB 1.205 70.076 68.868 0.005 0.000 1.192 218 T HN 0.293 nan 8.240 nan 0.000 0.491 219 Q N 0.496 120.300 119.800 0.007 0.000 2.246 219 Q HA 0.197 4.537 4.340 -0.000 0.000 0.222 219 Q C -0.273 175.730 176.000 0.004 0.000 0.851 219 Q CA -0.107 55.700 55.803 0.007 0.000 0.945 219 Q CB 0.693 29.435 28.738 0.007 0.000 1.122 219 Q HN 0.530 nan 8.270 nan 0.000 0.508 220 E N 2.602 122.804 120.200 0.004 0.000 2.166 220 E HA 0.029 4.379 4.350 -0.000 0.000 0.279 220 E C -1.776 174.825 176.600 0.002 0.000 1.095 220 E CA -1.639 54.763 56.400 0.004 0.000 0.888 220 E CB 1.036 30.739 29.700 0.006 0.000 1.041 220 E HN 0.132 nan 8.360 nan 0.000 0.414 221 P HA -0.128 nan 4.420 nan 0.000 0.220 221 P C 1.020 178.317 177.300 -0.005 0.000 1.148 221 P CA 0.969 64.062 63.100 -0.010 0.000 0.803 221 P CB 0.394 32.087 31.700 -0.012 0.000 0.782 222 R N 0.034 120.538 120.500 0.007 0.000 2.115 222 R HA 0.004 4.344 4.340 -0.000 0.000 0.230 222 R C 2.521 178.832 176.300 0.017 0.000 1.111 222 R CA 1.407 57.516 56.100 0.016 0.000 0.976 222 R CB -0.859 29.452 30.300 0.018 0.000 0.870 222 R HN 0.150 nan 8.270 nan 0.000 0.445 223 A N 0.759 123.586 122.820 0.012 0.000 1.968 223 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 223 A C 2.051 179.643 177.584 0.013 0.000 1.169 223 A CA 0.987 53.031 52.037 0.012 0.000 0.638 223 A CB -0.318 18.687 19.000 0.009 0.000 0.812 223 A HN 0.174 nan 8.150 nan 0.000 0.446 224 I N -0.481 120.093 120.570 0.007 0.000 2.286 224 I HA -0.196 3.973 4.170 -0.000 0.000 0.245 224 I C 2.161 178.289 176.117 0.018 0.000 1.104 224 I CA 0.959 62.262 61.300 0.005 0.000 1.397 224 I CB -0.242 37.748 38.000 -0.016 0.000 1.072 224 I HN 0.269 nan 8.210 nan 0.000 0.417 225 L N -0.016 121.218 121.223 0.018 0.000 2.217 225 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 225 L C 0.934 177.847 176.870 0.072 0.000 1.107 225 L CA 0.715 55.590 54.840 0.058 0.000 0.783 225 L CB -0.452 41.641 42.059 0.057 0.000 0.919 225 L HN 0.153 nan 8.230 nan 0.000 0.442 226 D N 0.579 121.007 120.400 0.048 0.000 2.801 226 D HA 0.239 4.879 4.640 -0.000 0.000 0.232 226 D C 1.156 177.478 176.300 0.036 0.000 1.128 226 D CA 0.641 54.667 54.000 0.043 0.000 1.003 226 D CB -0.292 40.528 40.800 0.033 0.000 1.110 226 D HN 0.298 nan 8.370 nan 0.000 0.477 227 G N 0.638 109.464 108.800 0.043 0.000 2.176 227 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 227 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 227 G C 0.789 175.702 174.900 0.023 0.000 0.979 227 G CA -0.026 45.092 45.100 0.030 0.000 0.641 227 G HN 0.723 nan 8.290 nan 0.000 0.530 228 G N -0.489 108.328 108.800 0.029 0.000 2.494 228 G HA2 0.893 4.853 3.960 -0.000 0.000 0.270 228 G HA3 0.893 4.853 3.960 -0.000 0.000 0.270 228 G C 0.164 175.081 174.900 0.028 0.000 1.423 228 G CA 0.729 45.841 45.100 0.021 0.000 1.055 228 G HN 1.743 nan 8.290 nan 0.000 0.536 229 A N -2.061 120.775 122.820 0.026 0.000 2.599 229 A HA 0.697 5.017 4.320 -0.000 0.000 0.290 229 A C -1.071 176.539 177.584 0.042 0.000 1.101 229 A CA -0.637 51.422 52.037 0.038 0.000 0.674 229 A CB 0.713 19.723 19.000 0.016 0.000 1.277 229 A HN 0.624 nan 8.150 nan 0.000 0.419 230 L N 0.159 121.421 121.223 0.065 0.000 2.358 230 L HA 0.639 4.979 4.340 -0.000 0.000 0.268 230 L C -0.648 176.269 176.870 0.078 0.000 1.032 230 L CA -0.729 54.155 54.840 0.075 0.000 0.805 230 L CB 1.384 43.508 42.059 0.107 0.000 1.253 230 L HN 0.603 nan 8.230 nan 0.000 0.452 231 L N 1.863 123.139 121.223 0.087 0.000 2.322 231 L HA 0.557 4.897 4.340 -0.000 0.000 0.269 231 L C -2.293 174.660 176.870 0.138 0.000 1.012 231 L CA -1.899 53.000 54.840 0.097 0.000 0.815 231 L CB 2.109 44.217 42.059 0.082 0.000 1.295 231 L HN 0.320 nan 8.230 nan 0.000 0.438 232 P HA 0.083 nan 4.420 nan 0.000 0.274 232 P C -0.805 176.581 177.300 0.144 0.000 1.231 232 P CA -0.339 62.864 63.100 0.172 0.000 0.790 232 P CB 0.599 32.391 31.700 0.154 0.000 0.951 233 F N 0.005 119.983 119.950 0.048 0.000 2.459 233 F HA 0.501 5.028 4.527 -0.000 0.000 0.346 233 F C 1.210 176.999 175.800 -0.018 0.000 1.128 233 F CA 0.381 58.391 58.000 0.016 0.000 1.268 233 F CB -0.385 38.618 39.000 0.006 0.000 1.161 233 F HN 0.669 nan 8.300 nan 0.000 0.583 234 G N 2.315 110.988 108.800 -0.211 0.000 2.283 234 G HA2 0.100 4.060 3.960 -0.000 0.000 0.280 234 G HA3 0.100 4.060 3.960 -0.000 0.000 0.280 234 G C 0.972 175.633 174.900 -0.398 0.000 1.029 234 G CA 0.557 45.423 45.100 -0.390 0.000 0.840 234 G HN 2.372 nan 8.290 nan 0.000 0.505 235 G N 0.557 109.230 108.800 -0.210 0.000 2.651 235 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.315 235 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.315 235 G C 1.176 175.846 174.900 -0.383 0.000 1.258 235 G CA 1.863 46.858 45.100 -0.174 0.000 1.002 235 G HN 2.021 nan 8.290 nan 0.000 0.551 236 H N 1.410 120.015 119.070 -0.776 0.000 2.457 236 H HA 0.040 4.596 4.556 -0.000 0.000 0.297 236 H C 2.264 177.411 175.328 -0.302 0.000 1.092 236 H CA 1.795 57.459 56.048 -0.639 0.000 1.309 236 H CB -0.369 29.007 29.762 -0.643 0.000 1.382 236 H HN 0.639 nan 8.280 nan 0.000 0.535 237 K N 0.573 120.451 120.400 -0.871 0.000 2.031 237 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 237 K C 2.672 178.985 176.600 -0.478 0.000 1.049 237 K CA 0.942 56.861 56.287 -0.614 0.000 0.939 237 K CB -0.176 31.936 32.500 -0.647 0.000 0.717 237 K HN 0.392 nan 8.250 nan 0.000 0.438 238 G N 0.589 108.980 108.800 -0.682 0.000 2.422 238 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 238 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 238 G C 1.534 176.317 174.900 -0.195 0.000 1.140 238 G CA 0.849 45.531 45.100 -0.696 0.000 0.775 238 G HN 0.260 nan 8.290 nan 0.000 0.545 239 S N 0.572 116.206 115.700 -0.111 0.000 2.368 239 S HA 0.053 4.523 4.470 -0.000 0.000 0.224 239 S C 2.729 177.377 174.600 0.080 0.000 1.029 239 S CA 1.542 59.812 58.200 0.117 0.000 0.988 239 S CB -0.383 62.936 63.200 0.199 0.000 0.838 239 S HN 0.515 nan 8.310 nan 0.000 0.462 240 A N 1.246 124.059 122.820 -0.010 0.000 1.930 240 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 240 A C 2.151 179.697 177.584 -0.062 0.000 1.175 240 A CA 1.257 53.284 52.037 -0.016 0.000 0.627 240 A CB -0.698 18.286 19.000 -0.028 0.000 0.815 240 A HN 0.568 nan 8.150 nan 0.000 0.443 241 L N -0.872 120.311 121.223 -0.067 0.000 2.093 241 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 241 L C 2.881 179.706 176.870 -0.075 0.000 1.085 241 L CA 1.376 56.195 54.840 -0.034 0.000 0.755 241 L CB -0.395 41.686 42.059 0.037 0.000 0.904 241 L HN 0.485 nan 8.230 nan 0.000 0.435 242 S N -0.090 115.535 115.700 -0.125 0.000 2.368 242 S HA -0.237 4.233 4.470 -0.000 0.000 0.224 242 S C 2.066 176.275 174.600 -0.651 0.000 1.029 242 S CA 1.384 59.415 58.200 -0.282 0.000 0.988 242 S CB -0.152 62.931 63.200 -0.194 0.000 0.838 242 S HN 0.378 nan 8.310 nan 0.000 0.462 243 M N 0.597 119.749 119.600 -0.748 0.000 2.117 243 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 243 M C 2.225 178.367 176.300 -0.264 0.000 1.065 243 M CA 1.947 56.856 55.300 -0.651 0.000 1.114 243 M CB -0.291 32.182 32.600 -0.211 0.000 1.361 243 M HN 0.531 nan 8.290 nan 0.000 0.408 244 M N -0.086 119.420 119.600 -0.156 0.000 2.117 244 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 244 M C 1.668 177.941 176.300 -0.044 0.000 1.065 244 M CA 1.671 56.935 55.300 -0.060 0.000 1.114 244 M CB -0.183 32.398 32.600 -0.032 0.000 1.361 244 M HN 0.232 nan 8.290 nan 0.000 0.408 245 V N 1.009 120.878 119.914 -0.075 0.000 2.343 245 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 245 V C 2.392 178.484 176.094 -0.003 0.000 1.051 245 V CA 1.832 64.112 62.300 -0.034 0.000 1.036 245 V CB -0.885 30.919 31.823 -0.031 0.000 0.654 245 V HN 0.491 nan 8.190 nan 0.000 0.451 246 E N 0.185 120.369 120.200 -0.025 0.000 2.051 246 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 246 E C 2.253 179.025 176.600 0.287 0.000 0.991 246 E CA 1.286 57.777 56.400 0.152 0.000 0.799 246 E CB -0.391 29.372 29.700 0.104 0.000 0.748 246 E HN 0.513 nan 8.360 nan 0.000 0.449 247 L N 0.388 121.731 121.223 0.199 0.000 2.083 247 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 247 L C 2.568 179.502 176.870 0.106 0.000 1.083 247 L CA 0.901 55.869 54.840 0.212 0.000 0.752 247 L CB -0.341 41.792 42.059 0.123 0.000 0.899 247 L HN 0.098 nan 8.230 nan 0.000 0.433 248 L N -1.062 120.193 121.223 0.054 0.000 2.168 248 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 248 L C 2.676 179.541 176.870 -0.007 0.000 1.078 248 L CA 0.820 55.672 54.840 0.020 0.000 0.780 248 L CB -0.530 41.534 42.059 0.008 0.000 0.939 248 L HN 0.150 nan 8.230 nan 0.000 0.451 249 A N -0.585 122.229 122.820 -0.010 0.000 2.072 249 A HA 0.227 4.547 4.320 -0.000 0.000 0.216 249 A C 2.089 179.624 177.584 -0.083 0.000 1.156 249 A CA 1.400 53.415 52.037 -0.035 0.000 0.701 249 A CB -0.170 18.817 19.000 -0.021 0.000 0.816 249 A HN 0.395 nan 8.150 nan 0.000 0.458 250 A N -1.536 121.217 122.820 -0.111 0.000 1.989 250 A HA 0.465 4.785 4.320 -0.000 0.000 0.201 250 A C 2.224 179.562 177.584 -0.411 0.000 1.720 250 A CA 1.113 52.968 52.037 -0.302 0.000 0.956 250 A CB -1.061 17.694 19.000 -0.409 0.000 1.094 250 A HN 0.592 nan 8.150 nan 0.000 0.561 251 G N 0.319 108.923 108.800 -0.328 0.000 2.440 251 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 251 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 251 G C 1.578 176.417 174.900 -0.102 0.000 1.154 251 G CA 1.309 46.280 45.100 -0.216 0.000 0.767 251 G HN 0.467 nan 8.290 nan 0.000 0.552 252 L N 0.843 122.043 121.223 -0.039 0.000 2.131 252 L HA 0.025 4.365 4.340 -0.000 0.000 0.206 252 L C 3.197 180.074 176.870 0.011 0.000 1.087 252 L CA 2.054 56.902 54.840 0.013 0.000 0.767 252 L CB -0.342 41.748 42.059 0.053 0.000 0.917 252 L HN 0.403 nan 8.230 nan 0.000 0.441 253 T N -3.736 110.796 114.554 -0.037 0.000 2.904 253 T HA 0.096 4.446 4.350 -0.000 0.000 0.267 253 T C 1.494 176.152 174.700 -0.070 0.000 1.059 253 T CA 0.820 62.901 62.100 -0.032 0.000 1.137 253 T CB -0.008 68.822 68.868 -0.063 0.000 0.879 253 T HN 0.577 nan 8.240 nan 0.000 0.467 254 G N 0.420 109.135 108.800 -0.142 0.000 2.179 254 G HA2 0.011 3.971 3.960 -0.000 0.000 0.220 254 G HA3 0.011 3.971 3.960 -0.000 0.000 0.220 254 G C 0.419 175.174 174.900 -0.242 0.000 0.990 254 G CA -0.074 44.925 45.100 -0.167 0.000 0.646 254 G HN 0.984 nan 8.290 nan 0.000 0.517 255 G N -0.301 108.330 108.800 -0.282 0.000 2.580 255 G HA2 0.474 4.434 3.960 -0.000 0.000 0.278 255 G HA3 0.474 4.434 3.960 -0.000 0.000 0.278 255 G C 0.083 174.687 174.900 -0.494 0.000 1.212 255 G CA -0.339 44.537 45.100 -0.374 0.000 0.939 255 G HN 0.274 nan 8.290 nan 0.000 0.513 256 N N -0.638 117.715 118.700 -0.579 0.000 2.479 256 N HA 0.145 4.885 4.740 -0.000 0.000 0.257 256 N C -0.280 174.997 175.510 -0.389 0.000 1.232 256 N CA 0.066 52.816 53.050 -0.500 0.000 0.920 256 N CB 0.624 38.832 38.487 -0.464 0.000 1.105 256 N HN 0.164 nan 8.380 nan 0.000 0.444 257 F N 0.309 120.020 119.950 -0.399 0.000 2.435 257 F HA 0.037 4.564 4.527 -0.000 0.000 0.316 257 F C 2.092 177.598 175.800 -0.490 0.000 1.220 257 F CA -0.274 57.396 58.000 -0.551 0.000 1.241 257 F CB 0.222 38.536 39.000 -1.144 0.000 1.234 257 F HN 0.396 nan 8.300 nan 0.000 0.569 258 S N 0.724 116.371 115.700 -0.088 0.000 2.465 258 S HA -0.200 4.270 4.470 -0.000 0.000 0.241 258 S C 1.207 175.690 174.600 -0.195 0.000 1.000 258 S CA 1.188 59.409 58.200 0.035 0.000 0.964 258 S CB -0.656 62.646 63.200 0.170 0.000 0.763 258 S HN 0.583 nan 8.310 nan 0.000 0.512 259 F N 0.507 120.443 119.950 -0.024 0.000 2.664 259 F HA 0.484 5.011 4.527 -0.000 0.000 0.303 259 F C 0.788 176.520 175.800 -0.113 0.000 1.092 259 F CA -0.699 57.212 58.000 -0.148 0.000 1.305 259 F CB -0.386 38.570 39.000 -0.073 0.000 1.054 259 F HN 0.028 nan 8.300 nan 0.000 0.565 260 E N 1.613 121.689 120.200 -0.206 0.000 2.423 260 E HA 0.222 4.572 4.350 -0.000 0.000 0.198 260 E C -0.857 175.830 176.600 0.144 0.000 1.038 260 E CA -0.260 56.138 56.400 -0.004 0.000 1.011 260 E CB 0.060 29.714 29.700 -0.076 0.000 1.118 260 E HN 0.513 nan 8.360 nan 0.000 0.451 261 F N -0.797 119.200 119.950 0.078 0.000 2.741 261 F HA 0.508 5.035 4.527 -0.000 0.000 0.311 261 F C -1.867 174.033 175.800 0.166 0.000 1.149 261 F CA -1.478 56.665 58.000 0.239 0.000 0.930 261 F CB 1.112 40.352 39.000 0.402 0.000 1.312 261 F HN -0.148 nan 8.300 nan 0.000 0.450 262 D N -0.897 119.719 120.400 0.359 0.000 2.615 262 D HA 0.337 4.977 4.640 -0.000 0.000 0.267 262 D C -1.308 175.088 176.300 0.159 0.000 1.236 262 D CA -0.632 53.376 54.000 0.013 0.000 0.839 262 D CB 1.045 41.834 40.800 -0.018 0.000 1.380 262 D HN 0.560 nan 8.370 nan 0.000 0.433 263 W N 0.536 121.786 121.300 -0.082 0.000 3.239 263 W HA 0.178 4.838 4.660 -0.000 0.000 0.368 263 W C 1.749 178.217 176.519 -0.085 0.000 1.154 263 W CA 0.008 57.180 57.345 -0.288 0.000 1.860 263 W CB -0.763 28.488 29.460 -0.347 0.000 1.094 263 W HN 0.628 nan 8.180 nan 0.000 0.643 264 S N 0.731 116.545 115.700 0.190 0.000 2.419 264 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 264 S C 1.377 176.052 174.600 0.125 0.000 1.019 264 S CA 1.154 59.437 58.200 0.138 0.000 0.982 264 S CB -0.233 63.032 63.200 0.108 0.000 0.789 264 S HN 0.307 nan 8.310 nan 0.000 0.490 265 K N 0.005 120.517 120.400 0.188 0.000 2.358 265 K HA 0.204 4.524 4.320 -0.000 0.000 0.197 265 K C -0.691 175.815 176.600 -0.156 0.000 1.025 265 K CA 0.032 56.353 56.287 0.056 0.000 1.104 265 K CB 0.334 32.879 32.500 0.075 0.000 0.855 265 K HN 0.496 nan 8.250 nan 0.000 0.531 266 H N 0.482 119.558 119.070 0.011 0.000 2.854 266 H HA 0.246 4.802 4.556 -0.000 0.000 0.275 266 H C -2.764 172.487 175.328 -0.128 0.000 1.198 266 H CA -2.221 53.799 56.048 -0.046 0.000 1.489 266 H CB 0.763 30.490 29.762 -0.059 0.000 1.519 266 H HN -0.105 nan 8.280 nan 0.000 0.503 267 P HA 0.069 nan 4.420 nan 0.000 0.262 267 P C 1.111 178.352 177.300 -0.099 0.000 1.182 267 P CA 1.167 64.239 63.100 -0.046 0.000 0.761 267 P CB 0.779 32.461 31.700 -0.031 0.000 0.795 268 G N 2.098 110.806 108.800 -0.153 0.000 2.179 268 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.260 268 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.260 268 G C 0.469 175.120 174.900 -0.415 0.000 0.977 268 G CA -0.032 44.939 45.100 -0.215 0.000 0.641 268 G HN 0.856 nan 8.290 nan 0.000 0.533 269 A N -0.204 122.239 122.820 -0.628 0.000 2.511 269 A HA 0.591 4.911 4.320 -0.000 0.000 0.242 269 A C 1.125 177.676 177.584 -1.720 0.000 1.069 269 A CA 1.124 52.464 52.037 -1.162 0.000 0.763 269 A CB 0.307 18.229 19.000 -1.797 0.000 1.001 269 A HN 0.369 nan 8.150 nan 0.000 0.498 270 Q N 0.350 119.365 119.800 -1.308 0.000 2.113 270 Q HA 0.080 4.419 4.340 -0.000 0.000 0.225 270 Q C 0.075 175.848 176.000 -0.378 0.000 0.786 270 Q CA 0.703 55.856 55.803 -1.084 0.000 0.989 270 Q CB 0.614 29.005 28.738 -0.579 0.000 1.174 270 Q HN 0.942 nan 8.270 nan 0.000 0.470 271 T N 0.017 114.496 114.554 -0.124 0.000 2.867 271 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 271 T C -2.704 172.528 174.700 0.886 0.000 1.000 271 T CA -2.041 60.317 62.100 0.430 0.000 1.042 271 T CB 2.277 71.367 68.868 0.371 0.000 0.973 271 T HN -0.175 nan 8.240 nan 0.000 0.465 272 P HA 0.182 nan 4.420 nan 0.000 0.278 272 P C -1.285 175.879 177.300 -0.226 0.000 1.238 272 P CA -0.439 62.856 63.100 0.325 0.000 0.794 272 P CB 0.672 32.615 31.700 0.405 0.000 0.955 273 W N 5.262 125.833 121.300 -1.215 0.000 2.309 273 W HA 0.363 5.023 4.660 -0.000 0.000 0.332 273 W C -0.196 175.811 176.519 -0.854 0.000 0.962 273 W CA -0.203 56.367 57.345 -1.292 0.000 1.497 273 W CB 0.027 28.682 29.460 -1.342 0.000 1.308 273 W HN 0.508 nan 8.180 nan 0.000 0.384 274 T N 1.427 115.664 114.554 -0.528 0.000 1.910 274 T HA 0.876 5.226 4.350 -0.000 0.000 0.167 274 T C 0.419 174.952 174.700 -0.279 0.000 0.725 274 T CA 0.293 62.153 62.100 -0.400 0.000 0.928 274 T CB 1.004 69.778 68.868 -0.157 0.000 3.095 274 T HN 0.573 nan 8.240 nan 0.000 0.393 275 G N -0.279 108.436 108.800 -0.140 0.000 2.489 275 G HA2 0.563 4.523 3.960 -0.000 0.000 0.305 275 G HA3 0.563 4.523 3.960 -0.000 0.000 0.305 275 G C -2.245 172.639 174.900 -0.027 0.000 1.311 275 G CA -0.507 44.541 45.100 -0.087 0.000 0.813 275 G HN 0.792 nan 8.290 nan 0.000 0.480 276 Q N -0.955 118.836 119.800 -0.015 0.000 2.352 276 Q HA 0.611 4.951 4.340 -0.000 0.000 0.270 276 Q C -2.277 173.708 176.000 -0.024 0.000 1.006 276 Q CA -0.765 55.037 55.803 -0.001 0.000 0.880 276 Q CB 2.604 31.379 28.738 0.062 0.000 1.392 276 Q HN 0.725 nan 8.270 nan 0.000 0.401 277 L N 4.044 125.244 121.223 -0.038 0.000 2.346 277 L HA 0.691 5.031 4.340 -0.000 0.000 0.276 277 L C -1.971 174.850 176.870 -0.082 0.000 1.006 277 L CA -0.407 54.391 54.840 -0.069 0.000 0.817 277 L CB 1.783 43.803 42.059 -0.065 0.000 1.272 277 L HN 0.788 nan 8.230 nan 0.000 0.421 278 L N 5.860 127.005 121.223 -0.131 0.000 2.410 278 L HA 0.574 4.914 4.340 -0.000 0.000 0.270 278 L C -1.147 175.582 176.870 -0.236 0.000 0.983 278 L CA -0.412 54.326 54.840 -0.171 0.000 0.822 278 L CB 2.124 44.076 42.059 -0.179 0.000 1.285 278 L HN 0.572 nan 8.230 nan 0.000 0.409 279 I N 4.159 124.591 120.570 -0.230 0.000 2.389 279 I HA 0.421 4.591 4.170 -0.000 0.000 0.288 279 I C -0.768 175.175 176.117 -0.291 0.000 0.999 279 I CA -0.748 60.414 61.300 -0.230 0.000 1.129 279 I CB 2.030 39.944 38.000 -0.143 0.000 1.288 279 I HN 0.151 nan 8.210 nan 0.000 0.444 280 V N 7.550 127.262 119.914 -0.337 0.000 2.448 280 V HA 0.534 4.654 4.120 -0.000 0.000 0.295 280 V C -0.088 175.866 176.094 -0.233 0.000 1.025 280 V CA -0.443 61.625 62.300 -0.386 0.000 0.859 280 V CB 2.028 33.509 31.823 -0.571 0.000 0.988 280 V HN 0.483 nan 8.190 nan 0.000 0.431 281 I N 3.043 123.492 120.570 -0.202 0.000 2.608 281 I HA 0.418 4.587 4.170 -0.000 0.000 0.295 281 I C -0.828 175.201 176.117 -0.146 0.000 1.049 281 I CA -0.628 60.581 61.300 -0.152 0.000 1.063 281 I CB 2.314 40.227 38.000 -0.144 0.000 1.248 281 I HN 0.516 nan 8.210 nan 0.000 0.424 282 D N 7.902 128.239 120.400 -0.105 0.000 2.411 282 D HA 0.208 4.848 4.640 -0.000 0.000 0.225 282 D C -1.453 174.784 176.300 -0.106 0.000 1.156 282 D CA -2.388 51.561 54.000 -0.085 0.000 0.874 282 D CB 1.265 42.039 40.800 -0.043 0.000 1.034 282 D HN 0.218 nan 8.370 nan 0.000 0.502 283 P HA -0.086 nan 4.420 nan 0.000 0.222 283 P C 0.081 177.359 177.300 -0.037 0.000 1.147 283 P CA 0.749 63.728 63.100 -0.202 0.000 0.790 283 P CB 0.524 31.873 31.700 -0.583 0.000 0.780 284 D N -0.583 119.813 120.400 -0.006 0.000 2.340 284 D HA 0.039 4.679 4.640 -0.000 0.000 0.217 284 D C 0.576 176.872 176.300 -0.007 0.000 1.081 284 D CA 0.118 54.127 54.000 0.016 0.000 0.842 284 D CB -0.272 40.548 40.800 0.035 0.000 0.934 284 D HN 0.093 nan 8.370 nan 0.000 0.511 285 K N 0.709 121.100 120.400 -0.014 0.000 2.430 285 K HA 0.213 4.533 4.320 -0.000 0.000 0.280 285 K C 1.120 177.713 176.600 -0.012 0.000 1.063 285 K CA 0.580 56.858 56.287 -0.014 0.000 1.071 285 K CB -0.223 32.266 32.500 -0.018 0.000 0.899 285 K HN 0.141 nan 8.250 nan 0.000 0.473 286 G N 2.503 111.296 108.800 -0.012 0.000 2.203 286 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.263 286 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.263 286 G C 0.089 174.980 174.900 -0.016 0.000 1.012 286 G CA 0.354 45.447 45.100 -0.012 0.000 0.749 286 G HN 0.881 nan 8.290 nan 0.000 0.512 287 A N -0.409 122.396 122.820 -0.025 0.000 2.306 287 A HA 0.770 5.090 4.320 -0.000 0.000 0.314 287 A C 1.158 178.704 177.584 -0.063 0.000 1.164 287 A CA 0.508 52.527 52.037 -0.031 0.000 0.822 287 A CB 1.331 20.321 19.000 -0.016 0.000 1.130 287 A HN 1.508 nan 8.150 nan 0.000 0.496 288 G N 0.950 109.720 108.800 -0.050 0.000 3.562 288 G HA2 0.458 4.418 3.960 -0.000 0.000 0.279 288 G HA3 0.458 4.418 3.960 -0.000 0.000 0.279 288 G C 0.119 174.969 174.900 -0.083 0.000 1.314 288 G CA 0.269 45.332 45.100 -0.062 0.000 1.189 288 G HN 0.964 nan 8.290 nan 0.000 0.562 289 Q N -1.391 118.328 119.800 -0.136 0.000 2.782 289 Q HA 0.375 4.715 4.340 -0.000 0.000 0.308 289 Q C -1.624 174.218 176.000 -0.263 0.000 0.883 289 Q CA -1.088 54.633 55.803 -0.136 0.000 0.755 289 Q CB 1.248 29.975 28.738 -0.019 0.000 1.454 289 Q HN 0.147 nan 8.270 nan 0.000 0.452 290 H N 0.752 119.851 119.070 0.047 0.000 2.638 290 H HA 0.222 4.778 4.556 -0.000 0.000 0.317 290 H C -0.428 174.947 175.328 0.078 0.000 1.006 290 H CA -0.560 55.528 56.048 0.067 0.000 1.222 290 H CB 1.101 30.885 29.762 0.036 0.000 1.419 290 H HN 0.716 nan 8.280 nan 0.000 0.489 291 F N 3.807 123.813 119.950 0.093 0.000 2.120 291 F HA -0.273 4.254 4.527 0.000 0.000 0.300 291 F C 2.172 178.014 175.800 0.071 0.000 1.095 291 F CA 1.928 59.969 58.000 0.068 0.000 1.249 291 F CB 0.028 39.059 39.000 0.052 0.000 0.995 291 F HN 0.609 nan 8.300 nan 0.000 0.480 292 A N -0.372 122.531 122.820 0.139 0.000 2.024 292 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 292 A C 2.109 179.639 177.584 -0.090 0.000 1.164 292 A CA 1.844 53.892 52.037 0.018 0.000 0.643 292 A CB -0.716 18.347 19.000 0.104 0.000 0.806 292 A HN 0.661 nan 8.150 nan 0.000 0.451 293 Q N -1.209 118.563 119.800 -0.047 0.000 2.163 293 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 293 Q C 2.271 178.203 176.000 -0.114 0.000 0.954 293 Q CA 0.609 56.380 55.803 -0.055 0.000 0.851 293 Q CB -0.042 28.703 28.738 0.011 0.000 0.928 293 Q HN 0.441 nan 8.270 nan 0.000 0.459 294 R N 0.470 120.864 120.500 -0.177 0.000 2.066 294 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 294 R C 2.515 178.645 176.300 -0.283 0.000 1.131 294 R CA 1.771 57.743 56.100 -0.213 0.000 0.955 294 R CB -1.059 29.098 30.300 -0.238 0.000 0.851 294 R HN 0.326 nan 8.270 nan 0.000 0.432 295 S N 0.895 116.305 115.700 -0.483 0.000 2.382 295 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 295 S C 1.962 176.451 174.600 -0.185 0.000 1.027 295 S CA 1.357 59.337 58.200 -0.365 0.000 0.991 295 S CB -0.150 62.783 63.200 -0.445 0.000 0.823 295 S HN 0.219 nan 8.310 nan 0.000 0.469 296 E N 1.826 121.930 120.200 -0.160 0.000 2.110 296 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 296 E C 1.979 178.516 176.600 -0.105 0.000 0.988 296 E CA 1.513 57.848 56.400 -0.108 0.000 0.804 296 E CB -0.453 29.198 29.700 -0.082 0.000 0.745 296 E HN 0.662 nan 8.360 nan 0.000 0.458 297 E N -0.277 119.861 120.200 -0.102 0.000 2.106 297 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 297 E C 1.901 178.448 176.600 -0.088 0.000 0.984 297 E CA 0.938 57.290 56.400 -0.081 0.000 0.806 297 E CB -0.484 29.176 29.700 -0.067 0.000 0.750 297 E HN 0.333 nan 8.360 nan 0.000 0.458 298 L N -0.281 120.883 121.223 -0.098 0.000 2.046 298 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 298 L C 2.205 179.009 176.870 -0.111 0.000 1.077 298 L CA 1.400 56.191 54.840 -0.082 0.000 0.747 298 L CB -0.554 41.466 42.059 -0.065 0.000 0.896 298 L HN 0.113 nan 8.230 nan 0.000 0.432 299 V N -0.046 119.778 119.914 -0.150 0.000 2.295 299 V HA -0.307 3.812 4.120 -0.000 0.000 0.246 299 V C 2.781 178.625 176.094 -0.417 0.000 1.049 299 V CA 2.161 64.296 62.300 -0.276 0.000 1.024 299 V CB -0.738 30.935 31.823 -0.249 0.000 0.648 299 V HN 0.530 nan 8.190 nan 0.000 0.447 300 R N -0.439 119.918 120.500 -0.239 0.000 2.091 300 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 300 R C 2.422 178.677 176.300 -0.074 0.000 1.136 300 R CA 1.568 57.587 56.100 -0.135 0.000 0.959 300 R CB -0.162 30.106 30.300 -0.053 0.000 0.856 300 R HN 0.479 nan 8.270 nan 0.000 0.437 301 Q N 0.407 120.164 119.800 -0.071 0.000 2.119 301 Q HA -0.131 4.209 4.340 -0.000 0.000 0.201 301 Q C 2.267 178.256 176.000 -0.020 0.000 0.972 301 Q CA 1.143 56.927 55.803 -0.032 0.000 0.847 301 Q CB -0.143 28.576 28.738 -0.031 0.000 0.903 301 Q HN 0.422 nan 8.270 nan 0.000 0.433 302 L N -0.462 120.726 121.223 -0.058 0.000 2.046 302 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 302 L C 2.303 179.217 176.870 0.074 0.000 1.077 302 L CA 1.290 56.120 54.840 -0.017 0.000 0.747 302 L CB -0.455 41.574 42.059 -0.050 0.000 0.896 302 L HN 0.374 nan 8.230 nan 0.000 0.432 303 H N -1.259 117.814 119.070 0.005 0.000 2.387 303 H HA -0.123 4.432 4.556 -0.000 0.000 0.299 303 H C 2.246 177.575 175.328 0.001 0.000 1.090 303 H CA 0.560 56.610 56.048 0.004 0.000 1.332 303 H CB -0.109 29.654 29.762 0.002 0.000 1.386 303 H HN 0.419 nan 8.280 nan 0.000 0.516 304 G N 0.622 109.498 108.800 0.125 0.000 2.432 304 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 304 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 304 G C 1.595 176.522 174.900 0.046 0.000 1.135 304 G CA 1.259 46.399 45.100 0.066 0.000 0.767 304 G HN 0.410 nan 8.290 nan 0.000 0.550 305 V N -2.789 117.152 119.914 0.044 0.000 3.596 305 V HA 0.610 4.730 4.120 -0.000 0.000 0.289 305 V C 1.572 177.685 176.094 0.033 0.000 1.336 305 V CA 0.559 62.877 62.300 0.030 0.000 1.137 305 V CB -0.403 31.432 31.823 0.021 0.000 0.966 305 V HN 0.994 nan 8.190 nan 0.000 0.428 306 G N 0.035 108.863 108.800 0.045 0.000 2.195 306 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.224 306 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.224 306 G C 0.214 175.141 174.900 0.044 0.000 0.990 306 G CA 0.232 45.353 45.100 0.035 0.000 0.639 306 G HN 0.721 nan 8.290 nan 0.000 0.514 307 Q N 0.870 120.712 119.800 0.069 0.000 2.324 307 Q HA 0.427 4.767 4.340 -0.000 0.000 0.257 307 Q C 1.288 177.360 176.000 0.120 0.000 1.080 307 Q CA 0.109 55.958 55.803 0.078 0.000 0.907 307 Q CB 0.285 29.068 28.738 0.075 0.000 1.274 307 Q HN 0.653 nan 8.270 nan 0.000 0.434 308 E N 2.992 123.225 120.200 0.055 0.000 2.076 308 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 308 E C 0.361 176.986 176.600 0.041 0.000 0.979 308 E CA 0.521 56.925 56.400 0.007 0.000 0.807 308 E CB 0.254 29.940 29.700 -0.023 0.000 0.761 308 E HN 0.380 nan 8.360 nan 0.000 0.454 309 R N 1.558 122.088 120.500 0.051 0.000 2.255 309 R HA 0.200 4.540 4.340 -0.000 0.000 0.326 309 R C -0.933 175.412 176.300 0.075 0.000 0.986 309 R CA -0.350 55.782 56.100 0.053 0.000 0.847 309 R CB 0.496 30.808 30.300 0.020 0.000 1.111 309 R HN -0.017 nan 8.270 nan 0.000 0.452 310 L N 5.885 127.168 121.223 0.099 0.000 2.344 310 L HA 0.514 4.854 4.340 -0.000 0.000 0.272 310 L C -2.067 174.849 176.870 0.076 0.000 1.035 310 L CA -2.392 52.508 54.840 0.099 0.000 0.807 310 L CB 1.538 43.673 42.059 0.127 0.000 1.237 310 L HN 0.603 nan 8.230 nan 0.000 0.442 311 P HA 0.162 nan 4.420 nan 0.000 0.261 311 P C 0.634 177.949 177.300 0.024 0.000 1.183 311 P CA 0.837 63.979 63.100 0.070 0.000 0.761 311 P CB 0.613 32.418 31.700 0.174 0.000 0.785 312 G N 3.327 112.049 108.800 -0.130 0.000 2.279 312 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.223 312 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.223 312 G C 1.107 175.734 174.900 -0.454 0.000 1.015 312 G CA 0.296 45.147 45.100 -0.415 0.000 0.621 312 G HN 0.421 nan 8.290 nan 0.000 0.506 313 D N 0.364 120.720 120.400 -0.073 0.000 2.116 313 D HA -0.078 4.562 4.640 -0.000 0.000 0.193 313 D C 2.243 178.509 176.300 -0.057 0.000 0.998 313 D CA 1.473 55.501 54.000 0.045 0.000 0.836 313 D CB -0.248 40.596 40.800 0.073 0.000 0.951 313 D HN 0.555 nan 8.370 nan 0.000 0.449 314 R N 0.433 120.861 120.500 -0.119 0.000 2.091 314 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 314 R C 2.259 178.449 176.300 -0.184 0.000 1.136 314 R CA 1.155 57.183 56.100 -0.119 0.000 0.959 314 R CB 0.089 30.321 30.300 -0.114 0.000 0.856 314 R HN 0.132 nan 8.270 nan 0.000 0.437 315 R N -1.042 119.247 120.500 -0.351 0.000 2.092 315 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 315 R C 2.102 178.206 176.300 -0.326 0.000 1.119 315 R CA 1.393 57.225 56.100 -0.445 0.000 0.970 315 R CB -0.264 29.561 30.300 -0.792 0.000 0.864 315 R HN 0.289 nan 8.270 nan 0.000 0.440 316 Y N 0.920 121.114 120.300 -0.176 0.000 2.293 316 Y HA -0.117 4.433 4.550 0.000 0.000 0.291 316 Y C 2.127 177.972 175.900 -0.092 0.000 1.137 316 Y CA 0.707 58.728 58.100 -0.131 0.000 1.202 316 Y CB -0.493 37.907 38.460 -0.100 0.000 0.990 316 Y HN -0.007 nan 8.280 nan 0.000 0.537 317 L N -0.622 120.637 121.223 0.061 0.000 2.056 317 L HA -0.171 4.168 4.340 -0.000 0.000 0.207 317 L C 2.462 179.338 176.870 0.010 0.000 1.078 317 L CA 1.575 56.433 54.840 0.031 0.000 0.749 317 L CB -0.398 41.670 42.059 0.016 0.000 0.901 317 L HN 0.079 nan 8.230 nan 0.000 0.433 318 E N 0.585 120.773 120.200 -0.020 0.000 2.106 318 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 318 E C 2.222 178.813 176.600 -0.014 0.000 0.984 318 E CA 1.155 57.546 56.400 -0.015 0.000 0.806 318 E CB -0.061 29.611 29.700 -0.048 0.000 0.750 318 E HN 0.167 nan 8.360 nan 0.000 0.458 319 R N -0.184 120.296 120.500 -0.034 0.000 2.083 319 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 319 R C 2.164 178.442 176.300 -0.036 0.000 1.137 319 R CA 1.584 57.658 56.100 -0.043 0.000 0.951 319 R CB -0.443 29.843 30.300 -0.022 0.000 0.851 319 R HN 0.230 nan 8.270 nan 0.000 0.434 320 A N 1.235 124.045 122.820 -0.016 0.000 1.908 320 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 320 A C 2.188 179.741 177.584 -0.051 0.000 1.181 320 A CA 1.514 53.531 52.037 -0.033 0.000 0.627 320 A CB -0.465 18.524 19.000 -0.018 0.000 0.818 320 A HN 0.394 nan 8.150 nan 0.000 0.445 321 R N -0.307 120.189 120.500 -0.007 0.000 2.081 321 R HA -0.075 4.264 4.340 -0.000 0.000 0.235 321 R C 2.493 178.807 176.300 0.022 0.000 1.131 321 R CA 1.574 57.698 56.100 0.039 0.000 0.960 321 R CB -0.533 29.842 30.300 0.125 0.000 0.856 321 R HN 0.495 nan 8.270 nan 0.000 0.436 322 S N 0.685 116.400 115.700 0.025 0.000 2.368 322 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 322 S C 1.918 176.524 174.600 0.010 0.000 1.030 322 S CA 1.176 59.399 58.200 0.038 0.000 0.999 322 S CB -0.030 63.187 63.200 0.028 0.000 0.844 322 S HN 0.196 nan 8.310 nan 0.000 0.459 323 M N 0.812 120.389 119.600 -0.039 0.000 2.319 323 M HA 0.153 4.633 4.480 -0.000 0.000 0.265 323 M C 2.231 178.486 176.300 -0.076 0.000 1.068 323 M CA 0.816 56.093 55.300 -0.039 0.000 1.118 323 M CB -1.500 31.066 32.600 -0.056 0.000 1.395 323 M HN 0.368 nan 8.290 nan 0.000 0.435 324 A N -1.165 121.547 122.820 -0.180 0.000 1.984 324 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 324 A C 1.573 178.909 177.584 -0.414 0.000 1.173 324 A CA 0.821 52.647 52.037 -0.352 0.000 0.673 324 A CB -0.339 18.324 19.000 -0.562 0.000 0.830 324 A HN 0.508 nan 8.150 nan 0.000 0.453 325 H N -1.161 117.925 119.070 0.027 0.000 3.058 325 H HA 0.374 4.930 4.556 -0.000 0.000 0.266 325 H C 1.033 176.383 175.328 0.037 0.000 1.135 325 H CA 0.354 56.419 56.048 0.028 0.000 1.174 325 H CB 0.219 29.995 29.762 0.024 0.000 1.581 325 H HN 0.641 nan 8.280 nan 0.000 0.553 326 G N 1.433 110.303 108.800 0.115 0.000 2.746 326 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.685 326 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.685 326 G C -0.576 174.394 174.900 0.117 0.000 1.350 326 G CA -0.609 44.556 45.100 0.108 0.000 0.837 326 G HN 0.186 nan 8.290 nan 0.000 0.564 327 I N 0.554 121.194 120.570 0.117 0.000 2.301 327 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 327 I C 1.025 177.203 176.117 0.102 0.000 1.046 327 I CA -0.644 60.729 61.300 0.122 0.000 1.282 327 I CB 1.356 39.445 38.000 0.148 0.000 1.409 327 I HN 0.472 nan 8.210 nan 0.000 0.484 328 V N 8.976 128.947 119.914 0.094 0.000 2.470 328 V HA 0.386 4.506 4.120 -0.000 0.000 0.276 328 V C -0.046 176.083 176.094 0.057 0.000 1.040 328 V CA 0.181 62.521 62.300 0.067 0.000 1.008 328 V CB 0.551 32.406 31.823 0.052 0.000 0.990 328 V HN 0.513 nan 8.190 nan 0.000 0.477 329 I N 6.093 126.690 120.570 0.044 0.000 2.647 329 I HA 0.551 4.721 4.170 -0.000 0.000 0.295 329 I C 0.407 176.535 176.117 0.019 0.000 1.078 329 I CA -0.930 60.391 61.300 0.033 0.000 1.048 329 I CB 1.945 39.974 38.000 0.049 0.000 1.239 329 I HN 0.676 nan 8.210 nan 0.000 0.421 330 A N 4.627 127.451 122.820 0.007 0.000 2.548 330 A HA -0.008 4.312 4.320 -0.000 0.000 0.247 330 A C 1.260 178.852 177.584 0.012 0.000 1.067 330 A CA 0.265 52.305 52.037 0.004 0.000 0.757 330 A CB 0.298 19.297 19.000 -0.001 0.000 0.996 330 A HN 0.960 nan 8.150 nan 0.000 0.504 331 Q N 2.687 122.493 119.800 0.010 0.000 2.173 331 Q HA -0.284 4.056 4.340 -0.000 0.000 0.208 331 Q C 2.047 178.054 176.000 0.012 0.000 0.989 331 Q CA 2.259 58.069 55.803 0.011 0.000 0.872 331 Q CB -0.266 28.477 28.738 0.009 0.000 0.909 331 Q HN 0.967 nan 8.270 nan 0.000 0.420 332 A N 1.223 124.050 122.820 0.011 0.000 1.873 332 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 332 A C 1.751 179.345 177.584 0.016 0.000 1.193 332 A CA 1.963 54.008 52.037 0.013 0.000 0.629 332 A CB -0.774 18.234 19.000 0.014 0.000 0.826 332 A HN 0.529 nan 8.150 nan 0.000 0.447 333 D N -0.558 119.855 120.400 0.021 0.000 2.117 333 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 333 D C 1.880 178.192 176.300 0.020 0.000 0.987 333 D CA 1.388 55.404 54.000 0.026 0.000 0.829 333 D CB -0.395 40.428 40.800 0.038 0.000 0.961 333 D HN 0.340 nan 8.370 nan 0.000 0.460 334 L N 1.674 122.908 121.223 0.019 0.000 2.046 334 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 334 L C 1.998 178.873 176.870 0.008 0.000 1.077 334 L CA 1.731 56.580 54.840 0.015 0.000 0.747 334 L CB -0.515 41.554 42.059 0.017 0.000 0.896 334 L HN -0.035 nan 8.230 nan 0.000 0.432 335 E N -0.256 119.949 120.200 0.009 0.000 2.058 335 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 335 E C 2.136 178.738 176.600 0.003 0.000 0.997 335 E CA 1.673 58.077 56.400 0.006 0.000 0.801 335 E CB -0.295 29.410 29.700 0.007 0.000 0.746 335 E HN 0.629 nan 8.360 nan 0.000 0.450 336 R N 0.944 121.447 120.500 0.004 0.000 2.115 336 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 336 R C 2.316 178.610 176.300 -0.009 0.000 1.111 336 R CA 0.989 57.089 56.100 0.001 0.000 0.976 336 R CB -0.594 29.708 30.300 0.003 0.000 0.870 336 R HN 0.141 nan 8.270 nan 0.000 0.445 337 L N 1.099 122.314 121.223 -0.013 0.000 2.056 337 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 337 L C 2.669 179.524 176.870 -0.026 0.000 1.078 337 L CA 1.509 56.330 54.840 -0.032 0.000 0.749 337 L CB -0.405 41.638 42.059 -0.027 0.000 0.901 337 L HN 0.309 nan 8.230 nan 0.000 0.433 338 Q N -0.275 119.518 119.800 -0.012 0.000 2.119 338 Q HA -0.211 4.129 4.340 -0.000 0.000 0.201 338 Q C 2.021 178.019 176.000 -0.004 0.000 0.972 338 Q CA 1.368 57.166 55.803 -0.008 0.000 0.847 338 Q CB -0.038 28.698 28.738 -0.003 0.000 0.903 338 Q HN 0.562 nan 8.270 nan 0.000 0.433 339 E N 0.695 120.895 120.200 -0.000 0.000 2.072 339 E HA -0.136 4.213 4.350 -0.000 0.000 0.191 339 E C 2.025 178.635 176.600 0.017 0.000 0.985 339 E CA 0.721 57.124 56.400 0.006 0.000 0.801 339 E CB -0.052 29.652 29.700 0.007 0.000 0.750 339 E HN 0.301 nan 8.360 nan 0.000 0.452 340 L N 1.008 122.243 121.223 0.019 0.000 2.131 340 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 340 L C 1.494 178.415 176.870 0.084 0.000 1.092 340 L CA 0.252 55.132 54.840 0.066 0.000 0.759 340 L CB -0.412 41.641 42.059 -0.010 0.000 0.903 340 L HN 0.055 nan 8.230 nan 0.000 0.435 341 A N 0.000 122.832 122.820 0.020 0.000 2.254 341 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 341 A CA 0.000 52.042 52.037 0.008 0.000 0.836 341 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 341 A HN 0.000 nan 8.150 nan 0.000 0.486