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 1vz6_1_A DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTAP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEML DATA SEQUENCE IASTGVIGRQ YPMESIREHL KTLEWPAGEG GFDRAARAIM TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGMLEP DMATLLTFFA TDARLDPAEQ DRLFRRVMDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE MAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.819 174.700 0.199 0.000 1.109 8 T CA 0.000 62.212 62.100 0.186 0.000 1.349 8 T CB 0.000 68.931 68.868 0.104 0.000 0.612 9 P HA 0.425 nan 4.420 nan 0.000 0.275 9 P C -0.349 177.176 177.300 0.376 0.000 1.227 9 P CA -0.240 63.031 63.100 0.285 0.000 0.781 9 P CB 0.713 32.577 31.700 0.274 0.000 0.906 10 R N 1.376 122.035 120.500 0.266 0.000 2.643 10 R HA 0.299 4.639 4.340 -0.000 0.000 0.270 10 R C 1.578 177.964 176.300 0.143 0.000 1.061 10 R CA 0.777 56.986 56.100 0.181 0.000 1.107 10 R CB -0.897 29.464 30.300 0.101 0.000 0.999 10 R HN 0.913 nan 8.270 nan 0.000 0.460 11 G N 0.990 109.807 108.800 0.029 0.000 2.148 11 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.254 11 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.254 11 G C -0.327 174.389 174.900 -0.307 0.000 0.981 11 G CA -0.028 44.976 45.100 -0.160 0.000 0.670 11 G HN 0.422 nan 8.290 nan 0.000 0.528 12 F N 0.087 120.108 119.950 0.118 0.000 2.482 12 F HA 0.666 5.193 4.527 -0.000 0.000 0.331 12 F C 0.585 176.407 175.800 0.036 0.000 1.115 12 F CA -0.620 57.452 58.000 0.120 0.000 0.955 12 F CB 2.175 41.337 39.000 0.270 0.000 1.136 12 F HN 0.335 nan 8.300 nan 0.000 0.452 13 V N 0.818 120.836 119.914 0.174 0.000 3.046 13 V HA 0.927 5.047 4.120 -0.000 0.000 0.316 13 V C -1.162 174.880 176.094 -0.086 0.000 1.104 13 V CA -0.999 61.337 62.300 0.060 0.000 1.006 13 V CB 1.895 33.825 31.823 0.179 0.000 1.058 13 V HN 0.443 nan 8.190 nan 0.000 0.440 14 V N 2.177 122.016 119.914 -0.125 0.000 2.569 14 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 14 V C -1.077 174.985 176.094 -0.054 0.000 1.044 14 V CA -0.356 61.839 62.300 -0.175 0.000 0.874 14 V CB 1.374 32.994 31.823 -0.339 0.000 1.002 14 V HN 1.214 nan 8.190 nan 0.000 0.424 15 H N 3.100 122.099 119.070 -0.118 0.000 2.511 15 H HA 0.776 5.332 4.556 -0.000 0.000 0.328 15 H C -0.187 175.131 175.328 -0.018 0.000 1.044 15 H CA 0.095 56.118 56.048 -0.042 0.000 1.212 15 H CB 1.605 31.354 29.762 -0.023 0.000 1.428 15 H HN 0.781 nan 8.280 nan 0.000 0.483 16 T N 2.483 116.762 114.554 -0.458 0.000 2.893 16 T HA 0.868 5.218 4.350 -0.000 0.000 0.293 16 T C -0.783 173.701 174.700 -0.360 0.000 1.027 16 T CA -0.432 61.489 62.100 -0.297 0.000 0.988 16 T CB 1.739 70.511 68.868 -0.161 0.000 1.043 16 T HN 0.867 nan 8.240 nan 0.000 0.461 17 A N 2.718 125.422 122.820 -0.192 0.000 2.608 17 A HA 0.885 5.205 4.320 -0.000 0.000 0.292 17 A C -3.259 174.217 177.584 -0.181 0.000 1.066 17 A CA -1.571 50.334 52.037 -0.220 0.000 0.676 17 A CB 1.311 20.107 19.000 -0.340 0.000 1.277 17 A HN 0.685 nan 8.150 nan 0.000 0.413 18 P HA 0.435 nan 4.420 nan 0.000 0.292 18 P C -0.326 176.838 177.300 -0.226 0.000 1.287 18 P CA -0.105 62.904 63.100 -0.151 0.000 0.800 18 P CB 1.581 33.217 31.700 -0.107 0.000 0.945 19 V N 2.130 121.948 119.914 -0.162 0.000 3.276 19 V HA 0.278 4.398 4.120 -0.000 0.000 0.319 19 V C 1.420 177.460 176.094 -0.090 0.000 1.476 19 V CA 0.379 62.570 62.300 -0.183 0.000 1.097 19 V CB -0.101 31.584 31.823 -0.230 0.000 0.988 19 V HN 0.876 nan 8.190 nan 0.000 0.473 20 G N 1.302 110.067 108.800 -0.058 0.000 2.295 20 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.287 20 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.287 20 G C 0.585 175.486 174.900 0.001 0.000 1.055 20 G CA 0.672 45.756 45.100 -0.026 0.000 0.922 20 G HN 0.506 nan 8.290 nan 0.000 0.503 21 L N -0.802 120.431 121.223 0.016 0.000 2.551 21 L HA 0.414 4.753 4.340 -0.000 0.000 0.228 21 L C 1.536 178.434 176.870 0.047 0.000 1.153 21 L CA 1.155 56.027 54.840 0.054 0.000 0.851 21 L CB -0.114 41.991 42.059 0.077 0.000 0.959 21 L HN 0.742 nan 8.230 nan 0.000 0.451 22 A N -1.668 121.167 122.820 0.025 0.000 2.547 22 A HA 0.491 4.811 4.320 -0.000 0.000 0.297 22 A C -0.534 177.054 177.584 0.006 0.000 1.056 22 A CA -0.115 51.932 52.037 0.018 0.000 0.688 22 A CB 0.541 19.551 19.000 0.017 0.000 1.282 22 A HN 0.068 nan 8.150 nan 0.000 0.400 23 D N 1.646 122.049 120.400 0.004 0.000 2.597 23 D HA 0.397 5.037 4.640 -0.000 0.000 0.228 23 D C 0.135 176.433 176.300 -0.005 0.000 1.120 23 D CA 0.516 54.515 54.000 -0.001 0.000 1.083 23 D CB -0.255 40.545 40.800 -0.000 0.000 1.116 23 D HN 0.641 nan 8.370 nan 0.000 0.487 24 D N -1.339 119.056 120.400 -0.008 0.000 2.530 24 D HA 0.160 4.800 4.640 -0.000 0.000 0.290 24 D C 1.395 177.686 176.300 -0.015 0.000 1.398 24 D CA 0.702 54.696 54.000 -0.009 0.000 0.848 24 D CB -0.605 40.191 40.800 -0.006 0.000 1.279 24 D HN 0.926 nan 8.370 nan 0.000 0.483 25 G N 1.572 110.360 108.800 -0.021 0.000 2.200 25 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.267 25 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.267 25 G C 0.372 175.253 174.900 -0.032 0.000 0.993 25 G CA 0.628 45.711 45.100 -0.029 0.000 0.701 25 G HN 0.562 nan 8.290 nan 0.000 0.524 26 R N 0.606 121.091 120.500 -0.025 0.000 2.560 26 R HA 0.294 4.634 4.340 -0.000 0.000 0.270 26 R C -0.595 175.686 176.300 -0.031 0.000 1.074 26 R CA -0.539 55.547 56.100 -0.023 0.000 1.140 26 R CB 0.233 30.525 30.300 -0.013 0.000 1.073 26 R HN 0.087 nan 8.270 nan 0.000 0.527 27 D N 1.843 122.222 120.400 -0.035 0.000 2.434 27 D HA -0.001 4.639 4.640 -0.000 0.000 0.252 27 D C 0.239 176.528 176.300 -0.018 0.000 1.185 27 D CA 0.633 54.608 54.000 -0.042 0.000 0.886 27 D CB 0.787 41.557 40.800 -0.051 0.000 1.148 27 D HN 0.439 nan 8.370 nan 0.000 0.483 28 D N 0.780 121.180 120.400 0.001 0.000 2.516 28 D HA 0.046 4.686 4.640 -0.000 0.000 0.241 28 D C -0.291 176.051 176.300 0.070 0.000 1.246 28 D CA -0.422 53.594 54.000 0.028 0.000 0.808 28 D CB -0.405 40.414 40.800 0.031 0.000 1.147 28 D HN 0.219 nan 8.370 nan 0.000 0.527 29 F N 1.751 121.642 119.950 -0.097 0.000 2.427 29 F HA 0.609 5.136 4.527 -0.000 0.000 0.348 29 F C -0.953 174.817 175.800 -0.051 0.000 1.125 29 F CA -0.180 57.777 58.000 -0.071 0.000 0.989 29 F CB 1.857 40.807 39.000 -0.085 0.000 1.165 29 F HN -0.291 nan 8.300 nan 0.000 0.442 30 T N 5.581 119.875 114.554 -0.433 0.000 2.861 30 T HA 0.626 4.976 4.350 -0.000 0.000 0.287 30 T C -1.193 173.251 174.700 -0.426 0.000 1.003 30 T CA -0.640 61.276 62.100 -0.306 0.000 0.977 30 T CB 1.801 70.540 68.868 -0.214 0.000 0.996 30 T HN 0.282 nan 8.240 nan 0.000 0.448 31 V N 3.929 123.708 119.914 -0.224 0.000 2.483 31 V HA 0.565 4.685 4.120 -0.000 0.000 0.297 31 V C -0.938 175.030 176.094 -0.211 0.000 1.027 31 V CA -0.856 61.297 62.300 -0.244 0.000 0.855 31 V CB 1.667 33.385 31.823 -0.176 0.000 0.995 31 V HN 0.704 nan 8.190 nan 0.000 0.424 32 L N 5.083 126.148 121.223 -0.264 0.000 2.305 32 L HA 0.981 5.320 4.340 -0.000 0.000 0.284 32 L C -0.098 176.633 176.870 -0.231 0.000 1.013 32 L CA -0.068 54.634 54.840 -0.230 0.000 0.819 32 L CB 1.150 43.059 42.059 -0.250 0.000 1.227 32 L HN 0.825 nan 8.230 nan 0.000 0.417 33 A N 2.995 125.747 122.820 -0.114 0.000 2.587 33 A HA 0.779 5.099 4.320 -0.000 0.000 0.293 33 A C -1.229 176.389 177.584 0.056 0.000 1.087 33 A CA -0.469 51.508 52.037 -0.099 0.000 0.692 33 A CB 1.761 20.623 19.000 -0.229 0.000 1.291 33 A HN 0.659 nan 8.150 nan 0.000 0.407 34 S N -0.273 115.386 115.700 -0.069 0.000 2.462 34 S HA 0.455 4.925 4.470 -0.000 0.000 0.294 34 S C 1.206 175.769 174.600 -0.061 0.000 1.144 34 S CA 0.303 58.295 58.200 -0.346 0.000 1.088 34 S CB 0.754 63.637 63.200 -0.530 0.000 1.009 34 S HN 1.442 nan 8.310 nan 0.000 0.484 35 T N 2.021 116.468 114.554 -0.179 0.000 3.163 35 T HA 0.405 4.755 4.350 -0.000 0.000 0.260 35 T C 0.542 175.104 174.700 -0.230 0.000 1.156 35 T CA 0.400 62.329 62.100 -0.285 0.000 1.072 35 T CB -0.189 68.478 68.868 -0.334 0.000 0.937 35 T HN 0.767 nan 8.240 nan 0.000 0.528 36 A N 1.170 123.878 122.820 -0.187 0.000 2.479 36 A HA 0.787 5.107 4.320 -0.000 0.000 0.296 36 A C -3.074 174.464 177.584 -0.077 0.000 1.121 36 A CA -2.382 49.578 52.037 -0.129 0.000 0.743 36 A CB 1.035 19.957 19.000 -0.129 0.000 1.323 36 A HN 0.095 nan 8.150 nan 0.000 0.415 37 P HA 0.414 nan 4.420 nan 0.000 0.268 37 P C -0.589 176.727 177.300 0.026 0.000 1.205 37 P CA 0.460 63.565 63.100 0.009 0.000 0.771 37 P CB 1.025 32.731 31.700 0.010 0.000 0.858 38 A N 1.683 124.552 122.820 0.081 0.000 2.498 38 A HA 0.702 5.022 4.320 -0.000 0.000 0.298 38 A C -0.498 177.172 177.584 0.143 0.000 1.075 38 A CA -0.476 51.642 52.037 0.135 0.000 0.714 38 A CB 0.977 20.125 19.000 0.247 0.000 1.299 38 A HN 0.493 nan 8.150 nan 0.000 0.407 39 T N -0.753 113.867 114.554 0.110 0.000 2.806 39 T HA 0.564 4.914 4.350 -0.000 0.000 0.290 39 T C -0.236 174.492 174.700 0.047 0.000 0.966 39 T CA -0.577 61.559 62.100 0.059 0.000 1.060 39 T CB 1.182 70.057 68.868 0.012 0.000 0.927 39 T HN 1.371 nan 8.240 nan 0.000 0.485 40 V N 2.196 122.108 119.914 -0.002 0.000 2.715 40 V HA 0.757 4.877 4.120 -0.000 0.000 0.310 40 V C -0.685 175.272 176.094 -0.229 0.000 1.054 40 V CA -0.427 61.786 62.300 -0.144 0.000 0.928 40 V CB 2.257 34.011 31.823 -0.115 0.000 1.007 40 V HN 1.133 nan 8.190 nan 0.000 0.437 41 S N 4.051 119.479 115.700 -0.454 0.000 2.557 41 S HA 0.949 5.419 4.470 -0.000 0.000 0.291 41 S C -0.659 173.467 174.600 -0.789 0.000 1.116 41 S CA -0.046 57.817 58.200 -0.562 0.000 0.992 41 S CB 1.620 64.369 63.200 -0.753 0.000 1.028 41 S HN 1.425 nan 8.310 nan 0.000 0.484 42 A N 1.822 124.401 122.820 -0.402 0.000 2.604 42 A HA 0.874 5.194 4.320 -0.000 0.000 0.295 42 A C -1.118 176.252 177.584 -0.357 0.000 1.067 42 A CA -0.838 50.972 52.037 -0.379 0.000 0.683 42 A CB 1.119 19.839 19.000 -0.466 0.000 1.281 42 A HN 1.344 nan 8.150 nan 0.000 0.407 43 V N -1.446 118.139 119.914 -0.548 0.000 3.007 43 V HA 1.005 5.125 4.120 -0.000 0.000 0.311 43 V C -0.981 174.642 176.094 -0.785 0.000 1.120 43 V CA -0.966 61.056 62.300 -0.465 0.000 0.980 43 V CB 1.296 33.049 31.823 -0.116 0.000 1.033 43 V HN 0.943 nan 8.190 nan 0.000 0.429 44 F N -0.389 119.597 119.950 0.060 0.000 2.675 44 F HA 0.756 5.283 4.527 -0.000 0.000 0.324 44 F C 0.646 176.468 175.800 0.037 0.000 1.106 44 F CA -0.758 57.267 58.000 0.042 0.000 0.970 44 F CB 1.622 40.650 39.000 0.046 0.000 1.385 44 F HN 0.729 nan 8.300 nan 0.000 0.489 45 T N 0.015 114.720 114.554 0.251 0.000 2.903 45 T HA 0.208 4.558 4.350 -0.000 0.000 0.314 45 T C 0.627 175.412 174.700 0.142 0.000 1.078 45 T CA -0.012 62.179 62.100 0.151 0.000 1.114 45 T CB 0.374 69.316 68.868 0.123 0.000 0.987 45 T HN 0.639 nan 8.240 nan 0.000 0.548 46 R N 2.162 122.724 120.500 0.103 0.000 2.586 46 R HA 0.217 4.557 4.340 -0.000 0.000 0.336 46 R C 0.656 177.001 176.300 0.074 0.000 1.060 46 R CA -0.297 55.855 56.100 0.086 0.000 1.079 46 R CB 0.388 30.732 30.300 0.073 0.000 1.317 46 R HN 0.566 nan 8.270 nan 0.000 0.568 47 S N 0.836 116.587 115.700 0.085 0.000 2.558 47 S HA -0.015 4.455 4.470 -0.000 0.000 0.291 47 S C 1.399 176.058 174.600 0.098 0.000 1.306 47 S CA -0.199 58.061 58.200 0.099 0.000 1.056 47 S CB 0.594 63.865 63.200 0.117 0.000 0.836 47 S HN 0.260 nan 8.310 nan 0.000 0.504 48 R N 2.876 123.451 120.500 0.124 0.000 2.235 48 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 48 R C 0.338 176.661 176.300 0.038 0.000 1.059 48 R CA 0.978 57.128 56.100 0.083 0.000 0.997 48 R CB -0.371 30.002 30.300 0.122 0.000 0.884 48 R HN 0.693 nan 8.270 nan 0.000 0.462 49 F N 0.383 120.338 119.950 0.008 0.000 2.772 49 F HA 0.354 4.881 4.527 -0.000 0.000 0.302 49 F C 0.689 176.490 175.800 0.002 0.000 1.136 49 F CA -0.756 57.246 58.000 0.003 0.000 1.322 49 F CB 0.168 39.170 39.000 0.004 0.000 0.967 49 F HN -0.158 nan 8.300 nan 0.000 0.513 50 A N 0.638 123.520 122.820 0.103 0.000 2.561 50 A HA 0.398 4.718 4.320 -0.000 0.000 0.234 50 A C 1.070 178.674 177.584 0.033 0.000 1.055 50 A CA 0.575 52.652 52.037 0.066 0.000 0.756 50 A CB -0.315 18.704 19.000 0.033 0.000 0.986 50 A HN 0.420 nan 8.150 nan 0.000 0.505 51 G N 1.438 110.259 108.800 0.035 0.000 2.537 51 G HA2 0.467 4.427 3.960 -0.000 0.000 0.273 51 G HA3 0.467 4.427 3.960 -0.000 0.000 0.273 51 G C -0.901 173.988 174.900 -0.018 0.000 1.189 51 G CA -0.637 44.470 45.100 0.011 0.000 0.881 51 G HN 0.534 nan 8.290 nan 0.000 0.535 52 P HA -0.137 nan 4.420 nan 0.000 0.216 52 P C 1.865 179.147 177.300 -0.029 0.000 1.150 52 P CA 1.421 64.502 63.100 -0.031 0.000 0.843 52 P CB 0.157 31.842 31.700 -0.025 0.000 0.787 53 S N -0.009 115.687 115.700 -0.006 0.000 2.374 53 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 53 S C 2.138 176.702 174.600 -0.060 0.000 1.037 53 S CA 1.490 59.695 58.200 0.008 0.000 1.024 53 S CB -1.195 62.042 63.200 0.062 0.000 0.861 53 S HN 0.015 nan 8.310 nan 0.000 0.456 54 V N 1.307 121.168 119.914 -0.088 0.000 2.343 54 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 54 V C 2.304 178.198 176.094 -0.334 0.000 1.051 54 V CA 1.381 63.539 62.300 -0.237 0.000 1.036 54 V CB -0.786 30.960 31.823 -0.129 0.000 0.654 54 V HN 0.341 nan 8.190 nan 0.000 0.451 55 V N -0.137 119.669 119.914 -0.181 0.000 2.332 55 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 55 V C 2.315 178.320 176.094 -0.147 0.000 1.055 55 V CA 2.000 64.209 62.300 -0.151 0.000 1.038 55 V CB -0.537 31.235 31.823 -0.085 0.000 0.651 55 V HN 0.448 nan 8.190 nan 0.000 0.450 56 L N -1.098 120.058 121.223 -0.113 0.000 2.046 56 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 56 L C 2.658 179.470 176.870 -0.096 0.000 1.077 56 L CA 1.553 56.351 54.840 -0.071 0.000 0.747 56 L CB -0.751 41.293 42.059 -0.026 0.000 0.896 56 L HN 0.389 nan 8.230 nan 0.000 0.432 57 C N -0.244 118.945 119.300 -0.186 0.000 2.429 57 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 57 C C 2.944 177.791 174.990 -0.237 0.000 1.262 57 C CA 0.537 59.436 59.018 -0.199 0.000 1.733 57 C CB -0.956 26.573 27.740 -0.351 0.000 2.010 57 C HN 0.420 nan 8.230 nan 0.000 0.483 58 R N 0.834 121.049 120.500 -0.476 0.000 2.105 58 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 58 R C 1.961 178.253 176.300 -0.013 0.000 1.135 58 R CA 1.497 57.479 56.100 -0.197 0.000 0.967 58 R CB -0.456 29.729 30.300 -0.191 0.000 0.861 58 R HN 0.716 nan 8.270 nan 0.000 0.442 59 E N 0.547 120.724 120.200 -0.038 0.000 2.076 59 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 59 E C 2.086 178.706 176.600 0.035 0.000 0.979 59 E CA 0.829 57.232 56.400 0.005 0.000 0.807 59 E CB -0.134 29.562 29.700 -0.008 0.000 0.761 59 E HN 0.290 nan 8.360 nan 0.000 0.454 60 A N 1.606 124.450 122.820 0.040 0.000 1.978 60 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 60 A C 2.452 180.095 177.584 0.098 0.000 1.170 60 A CA 1.771 53.851 52.037 0.072 0.000 0.636 60 A CB -0.693 18.360 19.000 0.089 0.000 0.810 60 A HN 0.248 nan 8.150 nan 0.000 0.448 61 V N -3.896 116.091 119.914 0.121 0.000 3.647 61 V HA 0.450 4.570 4.120 -0.000 0.000 0.279 61 V C 2.117 178.266 176.094 0.092 0.000 1.314 61 V CA 0.742 63.113 62.300 0.119 0.000 1.125 61 V CB -0.910 31.015 31.823 0.169 0.000 0.907 61 V HN 0.475 nan 8.190 nan 0.000 0.434 62 A N 2.613 125.482 122.820 0.083 0.000 1.903 62 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 62 A C 1.829 179.444 177.584 0.052 0.000 1.191 62 A CA 2.449 54.526 52.037 0.065 0.000 0.638 62 A CB -0.907 18.124 19.000 0.051 0.000 0.823 62 A HN 0.822 nan 8.150 nan 0.000 0.451 63 D N -2.006 118.423 120.400 0.048 0.000 2.319 63 D HA 0.307 4.947 4.640 -0.000 0.000 0.230 63 D C 1.070 177.393 176.300 0.038 0.000 1.094 63 D CA 0.732 54.756 54.000 0.040 0.000 0.856 63 D CB -0.856 39.966 40.800 0.037 0.000 0.915 63 D HN 0.854 nan 8.370 nan 0.000 0.517 64 G N -0.043 108.781 108.800 0.040 0.000 2.187 64 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.261 64 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.261 64 G C 0.059 174.983 174.900 0.039 0.000 1.000 64 G CA 0.497 45.613 45.100 0.027 0.000 0.718 64 G HN 0.610 nan 8.290 nan 0.000 0.519 65 Q N -0.182 119.653 119.800 0.059 0.000 2.309 65 Q HA 0.770 5.110 4.340 -0.000 0.000 0.270 65 Q C -0.235 175.833 176.000 0.115 0.000 1.023 65 Q CA 0.434 56.284 55.803 0.078 0.000 0.758 65 Q CB 1.584 30.358 28.738 0.061 0.000 1.247 65 Q HN 1.266 nan 8.270 nan 0.000 0.455 66 A N 3.479 126.404 122.820 0.175 0.000 2.594 66 A HA 0.694 5.014 4.320 -0.000 0.000 0.295 66 A C -0.643 177.122 177.584 0.302 0.000 1.071 66 A CA -0.652 51.536 52.037 0.251 0.000 0.685 66 A CB 1.523 20.724 19.000 0.335 0.000 1.285 66 A HN 0.795 nan 8.150 nan 0.000 0.405 67 R N 0.191 120.811 120.500 0.199 0.000 2.476 67 R HA 0.424 4.764 4.340 -0.000 0.000 0.276 67 R C 0.627 176.830 176.300 -0.160 0.000 0.941 67 R CA 0.575 56.713 56.100 0.063 0.000 1.088 67 R CB 1.366 31.704 30.300 0.064 0.000 1.216 67 R HN 1.160 nan 8.270 nan 0.000 0.533 68 G N -0.110 108.567 108.800 -0.206 0.000 2.321 68 G HA2 0.327 4.287 3.960 -0.000 0.000 0.296 68 G HA3 0.327 4.287 3.960 -0.000 0.000 0.296 68 G C -2.025 172.808 174.900 -0.112 0.000 1.287 68 G CA -0.306 44.531 45.100 -0.440 0.000 0.846 68 G HN -0.031 nan 8.290 nan 0.000 0.508 69 V N -0.990 118.822 119.914 -0.170 0.000 3.000 69 V HA 0.726 4.846 4.120 -0.000 0.000 0.300 69 V C -1.326 174.629 176.094 -0.233 0.000 1.251 69 V CA -0.445 61.806 62.300 -0.082 0.000 0.972 69 V CB 1.655 33.481 31.823 0.004 0.000 1.065 69 V HN 1.735 nan 8.190 nan 0.000 0.431 70 V N 7.105 126.897 119.914 -0.203 0.000 2.435 70 V HA 0.840 4.960 4.120 -0.000 0.000 0.290 70 V C -0.893 175.028 176.094 -0.288 0.000 1.030 70 V CA 0.012 62.115 62.300 -0.329 0.000 0.881 70 V CB 1.827 33.459 31.823 -0.319 0.000 0.983 70 V HN 0.856 nan 8.190 nan 0.000 0.445 71 V N 7.416 127.108 119.914 -0.370 0.000 2.540 71 V HA 0.570 4.690 4.120 -0.000 0.000 0.302 71 V C -0.721 175.255 176.094 -0.196 0.000 1.035 71 V CA -0.639 61.544 62.300 -0.196 0.000 0.873 71 V CB 1.647 33.390 31.823 -0.133 0.000 0.992 71 V HN 0.759 nan 8.190 nan 0.000 0.428 72 L N 4.035 125.234 121.223 -0.039 0.000 2.333 72 L HA 0.863 5.203 4.340 -0.000 0.000 0.280 72 L C 0.212 177.135 176.870 0.089 0.000 1.004 72 L CA -0.223 54.630 54.840 0.023 0.000 0.820 72 L CB 1.803 43.891 42.059 0.047 0.000 1.247 72 L HN 0.774 nan 8.230 nan 0.000 0.416 73 A N 2.694 125.558 122.820 0.073 0.000 2.330 73 A HA 0.894 5.214 4.320 -0.000 0.000 0.327 73 A C 0.433 178.065 177.584 0.080 0.000 1.155 73 A CA -0.331 51.752 52.037 0.077 0.000 0.803 73 A CB 0.881 19.914 19.000 0.054 0.000 1.208 73 A HN 0.732 nan 8.150 nan 0.000 0.477 74 R N -0.426 120.123 120.500 0.081 0.000 2.977 74 R HA -0.085 4.255 4.340 -0.000 0.000 0.492 74 R C -0.577 175.777 176.300 0.089 0.000 0.642 74 R CA 1.056 57.198 56.100 0.069 0.000 1.341 74 R CB -1.751 28.582 30.300 0.056 0.000 2.048 74 R HN 0.786 nan 8.270 nan 0.000 0.403 75 N N -0.630 118.148 118.700 0.129 0.000 2.616 75 N HA 0.456 5.196 4.740 -0.000 0.000 0.281 75 N C 0.033 175.627 175.510 0.140 0.000 1.145 75 N CA 0.487 53.621 53.050 0.140 0.000 0.919 75 N CB 1.577 40.208 38.487 0.240 0.000 1.509 75 N HN 0.079 nan 8.380 nan 0.000 0.537 76 A N 3.114 125.970 122.820 0.061 0.000 2.119 76 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 76 A C 0.916 178.484 177.584 -0.027 0.000 1.152 76 A CA 0.885 52.951 52.037 0.048 0.000 0.708 76 A CB -0.503 18.520 19.000 0.039 0.000 0.805 76 A HN 0.860 nan 8.150 nan 0.000 0.460 77 N N -1.312 117.294 118.700 -0.156 0.000 2.727 77 N HA -0.141 4.599 4.740 -0.000 0.000 0.251 77 N C -0.907 174.512 175.510 -0.151 0.000 1.040 77 N CA 0.884 53.728 53.050 -0.343 0.000 0.712 77 N CB -1.697 36.391 38.487 -0.665 0.000 0.912 77 N HN 0.191 nan 8.380 nan 0.000 0.545 78 V N 0.495 120.367 119.914 -0.069 0.000 2.715 78 V HA 0.819 4.939 4.120 -0.000 0.000 0.310 78 V C 1.143 177.253 176.094 0.027 0.000 1.054 78 V CA -0.329 61.971 62.300 0.001 0.000 0.928 78 V CB 1.358 33.208 31.823 0.045 0.000 1.007 78 V HN 0.794 nan 8.190 nan 0.000 0.437 79 A N 2.982 125.845 122.820 0.071 0.000 2.791 79 A HA -0.163 4.157 4.320 -0.000 0.000 0.292 79 A C 0.918 178.521 177.584 0.033 0.000 1.487 79 A CA 1.174 53.271 52.037 0.099 0.000 0.760 79 A CB -2.016 17.088 19.000 0.173 0.000 1.031 79 A HN 1.506 nan 8.150 nan 0.000 0.503 80 T N -2.475 112.073 114.554 -0.009 0.000 3.174 80 T HA 0.533 4.883 4.350 -0.000 0.000 0.269 80 T C 1.868 176.553 174.700 -0.025 0.000 1.017 80 T CA 0.990 63.071 62.100 -0.032 0.000 0.899 80 T CB -0.026 68.791 68.868 -0.084 0.000 1.077 80 T HN 2.476 nan 8.240 nan 0.000 0.552 81 G N 2.105 110.895 108.800 -0.015 0.000 2.591 81 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.278 81 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.278 81 G C 0.534 175.422 174.900 -0.021 0.000 1.293 81 G CA 0.029 45.119 45.100 -0.017 0.000 0.930 81 G HN 0.563 nan 8.290 nan 0.000 0.562 82 L N 0.343 121.556 121.223 -0.015 0.000 2.012 82 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 82 L C 2.673 179.539 176.870 -0.007 0.000 1.073 82 L CA 3.175 58.008 54.840 -0.012 0.000 0.748 82 L CB -0.795 41.259 42.059 -0.008 0.000 0.891 82 L HN 0.858 nan 8.230 nan 0.000 0.431 83 E N -0.943 119.254 120.200 -0.005 0.000 2.097 83 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 83 E C 2.027 178.626 176.600 -0.002 0.000 1.000 83 E CA 1.314 57.715 56.400 0.001 0.000 0.804 83 E CB -0.466 29.236 29.700 0.002 0.000 0.740 83 E HN 0.664 nan 8.360 nan 0.000 0.454 84 G N 0.373 109.158 108.800 -0.026 0.000 2.403 84 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 84 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 84 G C 1.275 176.157 174.900 -0.031 0.000 1.154 84 G CA 0.680 45.746 45.100 -0.058 0.000 0.784 84 G HN 0.302 nan 8.290 nan 0.000 0.538 85 E N 0.412 120.601 120.200 -0.019 0.000 2.085 85 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 85 E C 2.390 178.998 176.600 0.013 0.000 0.994 85 E CA 1.115 57.511 56.400 -0.008 0.000 0.801 85 E CB -0.091 29.601 29.700 -0.013 0.000 0.743 85 E HN 0.552 nan 8.360 nan 0.000 0.453 86 E N 0.557 120.767 120.200 0.017 0.000 2.051 86 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 86 E C 1.963 178.597 176.600 0.057 0.000 0.991 86 E CA 0.789 57.207 56.400 0.030 0.000 0.799 86 E CB 0.003 29.717 29.700 0.024 0.000 0.748 86 E HN 0.172 nan 8.360 nan 0.000 0.449 87 N N 0.647 119.392 118.700 0.076 0.000 2.149 87 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 87 N C 1.644 177.273 175.510 0.197 0.000 1.019 87 N CA 1.291 54.432 53.050 0.153 0.000 0.857 87 N CB -0.316 38.301 38.487 0.217 0.000 0.997 87 N HN 0.144 nan 8.380 nan 0.000 0.426 88 A N 1.690 124.601 122.820 0.153 0.000 1.873 88 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 88 A C 2.255 179.901 177.584 0.103 0.000 1.186 88 A CA 1.067 53.199 52.037 0.158 0.000 0.616 88 A CB -0.391 18.664 19.000 0.091 0.000 0.823 88 A HN 0.234 nan 8.150 nan 0.000 0.442 89 R N -0.562 119.978 120.500 0.067 0.000 2.091 89 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 89 R C 2.306 178.635 176.300 0.049 0.000 1.136 89 R CA 1.528 57.655 56.100 0.046 0.000 0.959 89 R CB -0.385 29.933 30.300 0.030 0.000 0.856 89 R HN 0.772 nan 8.270 nan 0.000 0.437 90 E N 0.631 120.866 120.200 0.058 0.000 2.017 90 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 90 E C 2.017 178.648 176.600 0.051 0.000 0.997 90 E CA 1.436 57.866 56.400 0.049 0.000 0.804 90 E CB 0.128 29.860 29.700 0.053 0.000 0.757 90 E HN 0.077 nan 8.360 nan 0.000 0.448 91 V N 1.804 121.766 119.914 0.080 0.000 2.392 91 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 91 V C 2.663 178.801 176.094 0.073 0.000 1.059 91 V CA 1.897 64.247 62.300 0.083 0.000 1.051 91 V CB -0.681 31.203 31.823 0.102 0.000 0.658 91 V HN 0.289 nan 8.190 nan 0.000 0.455 92 R N 0.512 121.050 120.500 0.064 0.000 2.075 92 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 92 R C 2.302 178.613 176.300 0.019 0.000 1.126 92 R CA 2.088 58.212 56.100 0.039 0.000 0.963 92 R CB -0.346 29.980 30.300 0.043 0.000 0.858 92 R HN 0.628 nan 8.270 nan 0.000 0.435 93 E N 0.178 120.390 120.200 0.020 0.000 2.208 93 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 93 E C 1.863 178.460 176.600 -0.006 0.000 0.988 93 E CA 1.073 57.477 56.400 0.007 0.000 0.828 93 E CB -0.519 29.187 29.700 0.010 0.000 0.763 93 E HN 0.597 nan 8.360 nan 0.000 0.478 94 A N 0.413 123.231 122.820 -0.003 0.000 1.898 94 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 94 A C 2.693 180.251 177.584 -0.045 0.000 1.181 94 A CA 1.645 53.668 52.037 -0.023 0.000 0.620 94 A CB -0.461 18.528 19.000 -0.019 0.000 0.819 94 A HN 0.430 nan 8.150 nan 0.000 0.442 95 V N -0.108 119.789 119.914 -0.029 0.000 2.358 95 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 95 V C 3.055 179.079 176.094 -0.116 0.000 1.047 95 V CA 1.867 64.123 62.300 -0.074 0.000 1.035 95 V CB -1.234 30.558 31.823 -0.051 0.000 0.658 95 V HN 0.613 nan 8.190 nan 0.000 0.452 96 A N 0.392 123.170 122.820 -0.070 0.000 1.883 96 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 96 A C 2.546 180.101 177.584 -0.049 0.000 1.186 96 A CA 2.798 54.801 52.037 -0.056 0.000 0.624 96 A CB -0.787 18.202 19.000 -0.018 0.000 0.822 96 A HN 0.508 nan 8.150 nan 0.000 0.444 97 R N -0.705 119.771 120.500 -0.040 0.000 2.081 97 R HA 0.104 4.444 4.340 -0.000 0.000 0.235 97 R C 2.559 178.832 176.300 -0.046 0.000 1.131 97 R CA 2.293 58.374 56.100 -0.031 0.000 0.960 97 R CB -1.765 28.519 30.300 -0.027 0.000 0.856 97 R HN 1.002 nan 8.270 nan 0.000 0.436 98 A N 0.613 123.379 122.820 -0.091 0.000 1.972 98 A HA 0.090 4.410 4.320 -0.000 0.000 0.219 98 A C 2.243 179.746 177.584 -0.134 0.000 1.169 98 A CA 1.452 53.416 52.037 -0.122 0.000 0.635 98 A CB -0.129 18.759 19.000 -0.187 0.000 0.810 98 A HN 0.461 nan 8.150 nan 0.000 0.446 99 L N -1.355 119.753 121.223 -0.191 0.000 2.607 99 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 99 L C 1.321 178.334 176.870 0.238 0.000 1.123 99 L CA 0.334 55.047 54.840 -0.211 0.000 0.890 99 L CB -0.249 41.364 42.059 -0.743 0.000 1.103 99 L HN 0.531 nan 8.230 nan 0.000 0.468 100 G N 1.723 110.590 108.800 0.111 0.000 2.324 100 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.292 100 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.292 100 G C -0.362 174.616 174.900 0.130 0.000 1.079 100 G CA -0.002 45.174 45.100 0.126 0.000 1.026 100 G HN 0.236 nan 8.290 nan 0.000 0.506 101 L N 0.651 121.923 121.223 0.081 0.000 2.362 101 L HA 0.571 4.911 4.340 -0.000 0.000 0.271 101 L C -1.725 175.171 176.870 0.042 0.000 1.002 101 L CA -2.571 52.313 54.840 0.074 0.000 0.818 101 L CB 2.387 44.479 42.059 0.055 0.000 1.298 101 L HN -0.007 nan 8.230 nan 0.000 0.420 102 P HA -0.020 nan 4.420 nan 0.000 0.267 102 P C 0.271 177.590 177.300 0.031 0.000 1.205 102 P CA 0.063 63.184 63.100 0.034 0.000 0.765 102 P CB 1.084 32.806 31.700 0.037 0.000 0.828 103 E N 3.378 123.592 120.200 0.023 0.000 2.086 103 E HA -0.227 4.123 4.350 -0.000 0.000 0.205 103 E C 1.954 178.572 176.600 0.030 0.000 1.027 103 E CA 2.029 58.441 56.400 0.021 0.000 0.830 103 E CB -0.805 28.905 29.700 0.017 0.000 0.751 103 E HN 0.697 nan 8.360 nan 0.000 0.456 104 G N -0.213 108.608 108.800 0.034 0.000 2.708 104 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.210 104 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.210 104 G C 1.067 176.004 174.900 0.062 0.000 1.141 104 G CA 0.356 45.482 45.100 0.043 0.000 0.788 104 G HN 0.312 nan 8.290 nan 0.000 0.531 105 E N -0.927 119.311 120.200 0.064 0.000 2.465 105 E HA 0.280 4.630 4.350 -0.000 0.000 0.195 105 E C 0.106 176.766 176.600 0.100 0.000 1.028 105 E CA -0.413 56.040 56.400 0.090 0.000 0.899 105 E CB 0.181 29.929 29.700 0.079 0.000 1.032 105 E HN 0.275 nan 8.360 nan 0.000 0.468 106 M N 1.474 121.121 119.600 0.078 0.000 2.190 106 M HA 0.340 4.820 4.480 -0.000 0.000 0.312 106 M C -1.556 174.796 176.300 0.088 0.000 0.990 106 M CA -0.627 54.711 55.300 0.062 0.000 0.927 106 M CB 0.953 33.558 32.600 0.007 0.000 1.571 106 M HN -0.153 nan 8.290 nan 0.000 0.427 107 L N 4.805 126.110 121.223 0.137 0.000 2.431 107 L HA 0.652 4.992 4.340 -0.000 0.000 0.260 107 L C -0.441 176.485 176.870 0.094 0.000 1.098 107 L CA -0.991 53.941 54.840 0.154 0.000 0.800 107 L CB 1.348 43.571 42.059 0.273 0.000 1.210 107 L HN 0.794 nan 8.230 nan 0.000 0.465 108 I N 0.677 121.308 120.570 0.102 0.000 2.586 108 I HA 0.613 4.783 4.170 -0.000 0.000 0.288 108 I C -1.067 175.125 176.117 0.126 0.000 1.147 108 I CA -0.202 61.144 61.300 0.076 0.000 1.047 108 I CB 1.643 39.684 38.000 0.068 0.000 1.244 108 I HN 0.697 nan 8.210 nan 0.000 0.429 109 A N 4.708 127.612 122.820 0.140 0.000 2.355 109 A HA 0.882 5.202 4.320 -0.000 0.000 0.324 109 A C -1.005 176.681 177.584 0.171 0.000 1.117 109 A CA -0.545 51.618 52.037 0.209 0.000 0.785 109 A CB 1.949 21.176 19.000 0.379 0.000 1.254 109 A HN 0.587 nan 8.150 nan 0.000 0.453 110 S N -0.283 115.521 115.700 0.174 0.000 2.572 110 S HA 0.708 5.178 4.470 -0.000 0.000 0.274 110 S C -0.880 173.803 174.600 0.139 0.000 1.150 110 S CA -0.168 58.137 58.200 0.176 0.000 0.944 110 S CB 1.568 64.900 63.200 0.221 0.000 1.071 110 S HN 1.199 nan 8.310 nan 0.000 0.479 111 T N 2.649 117.281 114.554 0.129 0.000 2.900 111 T HA 0.862 5.212 4.350 -0.000 0.000 0.295 111 T C 0.182 174.934 174.700 0.087 0.000 1.044 111 T CA 0.755 62.913 62.100 0.096 0.000 0.995 111 T CB 1.055 69.975 68.868 0.087 0.000 1.072 111 T HN 1.459 nan 8.240 nan 0.000 0.473 112 G N 1.890 110.728 108.800 0.064 0.000 2.247 112 G HA2 0.146 4.106 3.960 -0.000 0.000 0.229 112 G HA3 0.146 4.106 3.960 -0.000 0.000 0.229 112 G C -0.940 173.981 174.900 0.036 0.000 1.345 112 G CA -0.184 44.947 45.100 0.053 0.000 1.100 112 G HN 0.952 nan 8.290 nan 0.000 0.473 113 V N 1.310 121.244 119.914 0.033 0.000 2.843 113 V HA 0.395 4.515 4.120 -0.000 0.000 0.305 113 V C 0.935 177.034 176.094 0.009 0.000 1.065 113 V CA 0.273 62.583 62.300 0.017 0.000 1.116 113 V CB 1.027 32.859 31.823 0.016 0.000 0.968 113 V HN 0.554 nan 8.190 nan 0.000 0.487 114 I N 2.456 123.026 120.570 -0.001 0.000 2.437 114 I HA 0.562 4.732 4.170 -0.000 0.000 0.298 114 I C 1.157 177.270 176.117 -0.007 0.000 0.984 114 I CA 0.257 61.555 61.300 -0.004 0.000 1.214 114 I CB 1.444 39.438 38.000 -0.009 0.000 1.365 114 I HN 0.876 nan 8.210 nan 0.000 0.469 115 G N 3.305 112.101 108.800 -0.006 0.000 2.176 115 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.252 115 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.252 115 G C 0.113 175.007 174.900 -0.011 0.000 1.024 115 G CA 0.386 45.484 45.100 -0.003 0.000 0.755 115 G HN 0.953 nan 8.290 nan 0.000 0.507 116 R N 0.163 120.649 120.500 -0.023 0.000 2.468 116 R HA 0.721 5.061 4.340 -0.000 0.000 0.302 116 R C 0.382 176.661 176.300 -0.034 0.000 1.041 116 R CA -0.488 55.604 56.100 -0.013 0.000 0.899 116 R CB 0.592 30.896 30.300 0.006 0.000 1.167 116 R HN 0.424 nan 8.270 nan 0.000 0.483 117 Q N 1.219 121.003 119.800 -0.026 0.000 2.450 117 Q HA 0.026 4.366 4.340 -0.000 0.000 0.294 117 Q C -0.298 175.732 176.000 0.050 0.000 1.129 117 Q CA 0.506 56.290 55.803 -0.031 0.000 0.970 117 Q CB 0.120 28.863 28.738 0.010 0.000 1.294 117 Q HN 0.619 nan 8.270 nan 0.000 0.453 118 Y N 1.754 122.072 120.300 0.029 0.000 2.357 118 Y HA 0.080 4.630 4.550 -0.000 0.000 0.340 118 Y C -1.363 174.551 175.900 0.024 0.000 1.260 118 Y CA -1.939 56.181 58.100 0.034 0.000 1.425 118 Y CB -0.134 38.353 38.460 0.044 0.000 1.326 118 Y HN 0.403 nan 8.280 nan 0.000 0.580 119 P HA 0.065 nan 4.420 nan 0.000 0.225 119 P C 0.352 177.683 177.300 0.053 0.000 1.830 119 P CA -0.026 63.127 63.100 0.087 0.000 1.051 119 P CB 0.240 31.971 31.700 0.052 0.000 1.929 120 M N 1.249 120.896 119.600 0.079 0.000 2.195 120 M HA -0.164 4.316 4.480 -0.000 0.000 0.260 120 M C 2.231 178.535 176.300 0.006 0.000 1.066 120 M CA 2.100 57.428 55.300 0.046 0.000 1.089 120 M CB -1.844 30.798 32.600 0.070 0.000 1.377 120 M HN 0.316 nan 8.290 nan 0.000 0.411 121 E N -0.027 120.177 120.200 0.006 0.000 2.031 121 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 121 E C 2.203 178.788 176.600 -0.024 0.000 0.994 121 E CA 1.887 58.282 56.400 -0.007 0.000 0.800 121 E CB -1.107 28.591 29.700 -0.003 0.000 0.752 121 E HN 0.534 nan 8.360 nan 0.000 0.447 122 S N -0.108 115.575 115.700 -0.028 0.000 2.353 122 S HA -0.139 4.331 4.470 -0.000 0.000 0.222 122 S C 2.183 176.735 174.600 -0.078 0.000 1.035 122 S CA 1.514 59.685 58.200 -0.048 0.000 1.025 122 S CB -0.516 62.654 63.200 -0.050 0.000 0.902 122 S HN 0.529 nan 8.310 nan 0.000 0.440 123 I N 1.038 121.547 120.570 -0.102 0.000 2.163 123 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 123 I C 2.874 178.907 176.117 -0.140 0.000 1.085 123 I CA 1.574 62.774 61.300 -0.168 0.000 1.347 123 I CB -0.441 37.456 38.000 -0.173 0.000 1.044 123 I HN 0.297 nan 8.210 nan 0.000 0.408 124 R N 0.638 121.087 120.500 -0.085 0.000 2.096 124 R HA -0.174 4.165 4.340 -0.000 0.000 0.235 124 R C 2.608 178.861 176.300 -0.078 0.000 1.127 124 R CA 1.784 57.841 56.100 -0.073 0.000 0.968 124 R CB -0.648 29.628 30.300 -0.041 0.000 0.861 124 R HN 0.506 nan 8.270 nan 0.000 0.440 125 E N 0.623 120.788 120.200 -0.058 0.000 2.110 125 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 125 E C 1.658 178.226 176.600 -0.052 0.000 0.988 125 E CA 1.815 58.187 56.400 -0.047 0.000 0.804 125 E CB -0.836 28.847 29.700 -0.029 0.000 0.745 125 E HN 0.573 nan 8.360 nan 0.000 0.458 126 H N -0.158 118.806 119.070 -0.177 0.000 2.395 126 H HA 0.180 4.736 4.556 -0.000 0.000 0.299 126 H C 2.086 177.273 175.328 -0.236 0.000 1.070 126 H CA 1.351 57.268 56.048 -0.217 0.000 1.356 126 H CB -0.220 29.340 29.762 -0.335 0.000 1.401 126 H HN 0.309 nan 8.280 nan 0.000 0.524 127 L N 0.172 121.195 121.223 -0.334 0.000 2.131 127 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 127 L C 2.692 179.406 176.870 -0.259 0.000 1.092 127 L CA 1.620 56.264 54.840 -0.328 0.000 0.759 127 L CB -0.594 41.351 42.059 -0.190 0.000 0.903 127 L HN 0.459 nan 8.230 nan 0.000 0.435 128 K N -0.212 120.073 120.400 -0.192 0.000 2.515 128 K HA -0.107 4.213 4.320 -0.000 0.000 0.196 128 K C 1.761 178.268 176.600 -0.155 0.000 1.038 128 K CA 1.531 57.735 56.287 -0.139 0.000 0.967 128 K CB -1.151 31.294 32.500 -0.092 0.000 0.780 128 K HN 0.609 nan 8.250 nan 0.000 0.483 129 T N -2.986 111.427 114.554 -0.234 0.000 2.985 129 T HA 0.273 4.622 4.350 -0.000 0.000 0.254 129 T C 0.616 175.156 174.700 -0.267 0.000 1.021 129 T CA -0.194 61.781 62.100 -0.208 0.000 0.957 129 T CB -0.246 68.521 68.868 -0.168 0.000 1.047 129 T HN 0.192 nan 8.240 nan 0.000 0.511 130 L N 3.006 123.988 121.223 -0.401 0.000 2.628 130 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 130 L C 0.195 176.889 176.870 -0.294 0.000 1.209 130 L CA 1.080 55.652 54.840 -0.446 0.000 0.930 130 L CB -0.702 41.070 42.059 -0.477 0.000 1.183 130 L HN 0.547 nan 8.230 nan 0.000 0.492 131 E N 3.989 124.034 120.200 -0.259 0.000 2.446 131 E HA 0.394 4.744 4.350 -0.000 0.000 0.276 131 E C -1.465 175.066 176.600 -0.116 0.000 0.969 131 E CA -0.751 55.571 56.400 -0.130 0.000 0.800 131 E CB 0.382 30.066 29.700 -0.027 0.000 1.341 131 E HN 0.613 nan 8.360 nan 0.000 0.460 132 W N 2.462 123.716 121.300 -0.077 0.000 2.264 132 W HA 0.365 5.025 4.660 -0.000 0.000 0.331 132 W C -1.526 174.975 176.519 -0.030 0.000 1.364 132 W CA -0.440 56.870 57.345 -0.059 0.000 1.253 132 W CB 0.648 30.076 29.460 -0.053 0.000 1.215 132 W HN 0.455 nan 8.180 nan 0.000 0.561 133 P HA 0.276 nan 4.420 nan 0.000 0.274 133 P C -0.856 176.535 177.300 0.152 0.000 1.231 133 P CA -0.381 62.817 63.100 0.162 0.000 0.790 133 P CB 0.879 32.660 31.700 0.135 0.000 0.951 134 A N 1.440 124.319 122.820 0.099 0.000 2.363 134 A HA 0.605 4.924 4.320 -0.000 0.000 0.270 134 A C 0.752 178.369 177.584 0.056 0.000 1.121 134 A CA 0.416 52.493 52.037 0.067 0.000 0.800 134 A CB -0.732 18.297 19.000 0.048 0.000 1.052 134 A HN 0.967 nan 8.150 nan 0.000 0.493 135 G N 1.892 110.719 108.800 0.044 0.000 2.716 135 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.686 135 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.686 135 G C -0.584 174.347 174.900 0.051 0.000 1.337 135 G CA -0.104 45.020 45.100 0.040 0.000 0.829 135 G HN 0.966 nan 8.290 nan 0.000 0.599 136 E N -0.092 120.140 120.200 0.054 0.000 2.254 136 E HA 0.689 5.038 4.350 -0.000 0.000 0.261 136 E C 0.875 177.513 176.600 0.063 0.000 1.051 136 E CA 0.110 56.555 56.400 0.074 0.000 0.902 136 E CB 1.382 31.142 29.700 0.100 0.000 1.168 136 E HN 2.182 nan 8.360 nan 0.000 0.423 137 G N -0.640 108.195 108.800 0.059 0.000 2.698 137 G HA2 0.098 4.058 3.960 -0.000 0.000 0.225 137 G HA3 0.098 4.058 3.960 -0.000 0.000 0.225 137 G C 0.526 175.330 174.900 -0.158 0.000 1.345 137 G CA -0.141 44.970 45.100 0.018 0.000 0.871 137 G HN 1.286 nan 8.290 nan 0.000 0.540 138 G N -2.800 105.930 108.800 -0.117 0.000 2.159 138 G HA2 0.053 4.013 3.960 -0.000 0.000 0.170 138 G HA3 0.053 4.013 3.960 -0.000 0.000 0.170 138 G C 0.916 175.711 174.900 -0.176 0.000 1.007 138 G CA 0.509 45.526 45.100 -0.139 0.000 0.672 138 G HN 1.398 nan 8.290 nan 0.000 0.507 139 F N 1.387 121.346 119.950 0.014 0.000 2.202 139 F HA 0.033 4.559 4.527 -0.000 0.000 0.301 139 F C 2.736 178.533 175.800 -0.004 0.000 1.082 139 F CA 2.464 60.463 58.000 -0.001 0.000 1.313 139 F CB -0.594 38.403 39.000 -0.006 0.000 1.024 139 F HN 0.371 nan 8.300 nan 0.000 0.495 140 D N 0.849 121.341 120.400 0.153 0.000 2.097 140 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 140 D C 2.076 178.405 176.300 0.048 0.000 0.989 140 D CA 1.625 55.679 54.000 0.089 0.000 0.827 140 D CB -0.885 39.954 40.800 0.064 0.000 0.966 140 D HN 0.471 nan 8.370 nan 0.000 0.456 141 R N -0.412 120.097 120.500 0.015 0.000 2.276 141 R HA 0.460 4.800 4.340 -0.000 0.000 0.203 141 R C 2.438 178.726 176.300 -0.021 0.000 1.017 141 R CA 1.012 57.106 56.100 -0.011 0.000 1.010 141 R CB -0.024 30.256 30.300 -0.033 0.000 0.900 141 R HN 0.355 nan 8.270 nan 0.000 0.469 142 A N 1.997 124.809 122.820 -0.013 0.000 1.874 142 A HA 0.143 4.463 4.320 -0.000 0.000 0.214 142 A C 2.505 180.111 177.584 0.037 0.000 1.189 142 A CA 1.053 53.081 52.037 -0.016 0.000 0.615 142 A CB -0.622 18.369 19.000 -0.015 0.000 0.830 142 A HN 0.418 nan 8.150 nan 0.000 0.443 143 A N -0.126 122.737 122.820 0.073 0.000 1.986 143 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 143 A C 2.236 179.846 177.584 0.042 0.000 1.171 143 A CA 1.744 53.823 52.037 0.069 0.000 0.640 143 A CB -0.435 18.606 19.000 0.067 0.000 0.811 143 A HN 0.557 nan 8.150 nan 0.000 0.451 144 R N -1.207 119.309 120.500 0.027 0.000 2.127 144 R HA 0.146 4.486 4.340 -0.000 0.000 0.217 144 R C 2.233 178.539 176.300 0.009 0.000 1.074 144 R CA 0.837 56.946 56.100 0.015 0.000 0.991 144 R CB -0.219 30.085 30.300 0.007 0.000 0.895 144 R HN 0.469 nan 8.270 nan 0.000 0.450 145 A N 1.421 124.241 122.820 0.001 0.000 2.167 145 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 145 A C 1.904 179.493 177.584 0.008 0.000 1.151 145 A CA 0.532 52.564 52.037 -0.008 0.000 0.735 145 A CB -0.364 18.615 19.000 -0.035 0.000 0.802 145 A HN 0.423 nan 8.150 nan 0.000 0.467 146 I N -4.159 116.429 120.570 0.030 0.000 3.883 146 I HA 0.284 4.454 4.170 -0.000 0.000 0.326 146 I C 0.430 176.580 176.117 0.055 0.000 1.283 146 I CA -0.289 61.046 61.300 0.058 0.000 1.161 146 I CB -0.153 37.917 38.000 0.117 0.000 1.012 146 I HN 0.037 nan 8.210 nan 0.000 0.421 147 M N 2.141 121.764 119.600 0.038 0.000 2.240 147 M HA 0.209 4.689 4.480 -0.000 0.000 0.333 147 M C 1.125 177.442 176.300 0.028 0.000 1.110 147 M CA 0.539 55.858 55.300 0.031 0.000 1.173 147 M CB 1.022 33.636 32.600 0.023 0.000 1.458 147 M HN 0.376 nan 8.290 nan 0.000 0.458 148 T N -3.469 111.100 114.554 0.025 0.000 3.216 148 T HA 0.074 4.424 4.350 -0.000 0.000 0.167 148 T C 1.310 176.016 174.700 0.010 0.000 0.905 148 T CA 0.416 62.528 62.100 0.021 0.000 1.042 148 T CB -0.453 68.430 68.868 0.025 0.000 1.787 148 T HN 0.697 nan 8.240 nan 0.000 0.355 149 T N 0.526 115.083 114.554 0.006 0.000 3.169 149 T HA 0.253 4.603 4.350 -0.000 0.000 0.250 149 T C -0.287 174.415 174.700 0.002 0.000 1.111 149 T CA -0.294 61.803 62.100 -0.005 0.000 1.010 149 T CB -1.084 67.771 68.868 -0.021 0.000 0.984 149 T HN 0.403 nan 8.240 nan 0.000 0.537 150 D N 2.316 122.722 120.400 0.011 0.000 2.399 150 D HA 0.252 4.892 4.640 -0.000 0.000 0.241 150 D C 1.492 177.799 176.300 0.011 0.000 1.133 150 D CA 0.518 54.527 54.000 0.015 0.000 0.890 150 D CB 1.249 42.060 40.800 0.019 0.000 1.201 150 D HN 0.345 nan 8.370 nan 0.000 0.432 151 T N -2.008 112.554 114.554 0.012 0.000 3.037 151 T HA 0.262 4.612 4.350 -0.000 0.000 0.252 151 T C 0.924 175.630 174.700 0.011 0.000 1.073 151 T CA 0.030 62.136 62.100 0.010 0.000 1.091 151 T CB 0.093 68.967 68.868 0.010 0.000 0.935 151 T HN 0.448 nan 8.240 nan 0.000 0.488 152 R N 1.834 122.342 120.500 0.013 0.000 2.673 152 R HA 0.798 5.138 4.340 -0.000 0.000 0.281 152 R C -3.374 172.935 176.300 0.015 0.000 0.991 152 R CA -2.268 53.839 56.100 0.013 0.000 0.896 152 R CB -0.005 30.301 30.300 0.011 0.000 1.201 152 R HN 0.316 nan 8.270 nan 0.000 0.457 153 P HA 0.257 nan 4.420 nan 0.000 0.272 153 P C -1.250 176.059 177.300 0.016 0.000 1.223 153 P CA -0.182 62.929 63.100 0.019 0.000 0.784 153 P CB 0.832 32.545 31.700 0.021 0.000 0.923 154 K N 1.526 121.936 120.400 0.015 0.000 2.559 154 K HA 0.403 4.723 4.320 -0.000 0.000 0.249 154 K C -0.226 176.371 176.600 -0.004 0.000 0.958 154 K CA -0.448 55.843 56.287 0.006 0.000 0.901 154 K CB 1.955 34.461 32.500 0.009 0.000 1.124 154 K HN 0.451 nan 8.250 nan 0.000 0.437 155 E N 2.387 122.583 120.200 -0.007 0.000 2.369 155 E HA 0.632 4.982 4.350 -0.000 0.000 0.270 155 E C -1.814 174.767 176.600 -0.031 0.000 0.909 155 E CA -1.082 55.305 56.400 -0.021 0.000 0.775 155 E CB 2.472 32.181 29.700 0.014 0.000 1.270 155 E HN 0.224 nan 8.360 nan 0.000 0.445 156 V N 0.851 120.731 119.914 -0.056 0.000 3.000 156 V HA 0.832 4.952 4.120 -0.000 0.000 0.300 156 V C -1.625 174.438 176.094 -0.052 0.000 1.251 156 V CA 0.031 62.309 62.300 -0.037 0.000 0.972 156 V CB 1.759 33.573 31.823 -0.014 0.000 1.065 156 V HN 0.887 nan 8.190 nan 0.000 0.431 157 R N 3.698 124.179 120.500 -0.032 0.000 2.628 157 R HA 0.944 5.284 4.340 -0.000 0.000 0.288 157 R C -1.788 174.504 176.300 -0.013 0.000 0.980 157 R CA -0.106 55.973 56.100 -0.034 0.000 0.891 157 R CB 1.847 32.132 30.300 -0.024 0.000 1.188 157 R HN 1.250 nan 8.270 nan 0.000 0.450 158 V N 1.064 120.972 119.914 -0.009 0.000 2.733 158 V HA 0.796 4.916 4.120 -0.000 0.000 0.306 158 V C 0.398 176.498 176.094 0.010 0.000 1.084 158 V CA -0.520 61.777 62.300 -0.006 0.000 0.905 158 V CB 1.690 33.497 31.823 -0.026 0.000 1.010 158 V HN 1.324 nan 8.190 nan 0.000 0.424 159 S N 2.640 118.352 115.700 0.019 0.000 2.562 159 S HA 0.830 5.300 4.470 -0.000 0.000 0.275 159 S C -0.484 174.141 174.600 0.042 0.000 1.281 159 S CA -0.528 57.695 58.200 0.038 0.000 1.045 159 S CB 1.155 64.377 63.200 0.036 0.000 0.962 159 S HN 0.713 nan 8.310 nan 0.000 0.503 160 V N 1.629 121.587 119.914 0.072 0.000 2.624 160 V HA 0.586 4.706 4.120 -0.000 0.000 0.294 160 V C 0.737 176.894 176.094 0.105 0.000 1.077 160 V CA 0.086 62.438 62.300 0.087 0.000 0.905 160 V CB 0.781 32.674 31.823 0.117 0.000 1.025 160 V HN 1.887 nan 8.190 nan 0.000 0.440 161 G N 3.241 112.087 108.800 0.077 0.000 2.395 161 G HA2 0.091 4.051 3.960 -0.000 0.000 0.300 161 G HA3 0.091 4.051 3.960 -0.000 0.000 0.300 161 G C 1.323 176.264 174.900 0.067 0.000 0.998 161 G CA 1.238 46.380 45.100 0.069 0.000 1.046 161 G HN 2.486 nan 8.290 nan 0.000 0.513 162 G N -2.266 106.572 108.800 0.063 0.000 2.225 162 G HA2 0.153 4.113 3.960 -0.000 0.000 0.254 162 G HA3 0.153 4.113 3.960 -0.000 0.000 0.254 162 G C 0.819 175.765 174.900 0.076 0.000 0.988 162 G CA 1.306 46.443 45.100 0.061 0.000 0.625 162 G HN 2.310 nan 8.290 nan 0.000 0.527 163 A N -0.707 122.172 122.820 0.098 0.000 2.261 163 A HA 0.911 5.231 4.320 -0.000 0.000 0.323 163 A C 0.219 177.879 177.584 0.126 0.000 1.107 163 A CA 0.655 52.766 52.037 0.123 0.000 0.883 163 A CB 1.177 20.268 19.000 0.152 0.000 1.251 163 A HN 0.771 nan 8.150 nan 0.000 0.502 164 T N 0.585 115.223 114.554 0.140 0.000 2.876 164 T HA 0.540 4.890 4.350 -0.000 0.000 0.289 164 T C -1.231 173.540 174.700 0.118 0.000 1.014 164 T CA -0.219 61.947 62.100 0.110 0.000 0.986 164 T CB 1.249 70.174 68.868 0.094 0.000 1.021 164 T HN 0.645 nan 8.240 nan 0.000 0.458 165 L N 3.783 125.048 121.223 0.071 0.000 2.349 165 L HA 0.792 5.132 4.340 -0.000 0.000 0.278 165 L C -1.307 175.543 176.870 -0.034 0.000 0.996 165 L CA -0.542 54.334 54.840 0.060 0.000 0.825 165 L CB 1.382 43.471 42.059 0.050 0.000 1.243 165 L HN 0.484 nan 8.230 nan 0.000 0.412 166 V N 3.994 123.813 119.914 -0.158 0.000 2.628 166 V HA 0.939 5.059 4.120 -0.000 0.000 0.306 166 V C 0.262 176.171 176.094 -0.309 0.000 1.045 166 V CA -0.185 61.912 62.300 -0.339 0.000 0.905 166 V CB 1.825 33.153 31.823 -0.824 0.000 0.997 166 V HN 0.926 nan 8.190 nan 0.000 0.436 167 G N 4.461 113.084 108.800 -0.295 0.000 2.701 167 G HA2 0.756 4.716 3.960 -0.000 0.000 0.300 167 G HA3 0.756 4.716 3.960 -0.000 0.000 0.300 167 G C -1.260 173.411 174.900 -0.382 0.000 1.410 167 G CA -0.537 44.243 45.100 -0.534 0.000 1.014 167 G HN 0.879 nan 8.290 nan 0.000 0.509 168 I N -0.375 119.978 120.570 -0.362 0.000 2.689 168 I HA 0.962 5.132 4.170 -0.000 0.000 0.299 168 I C -0.200 175.805 176.117 -0.188 0.000 1.059 168 I CA -1.295 59.919 61.300 -0.142 0.000 1.055 168 I CB 2.444 40.471 38.000 0.045 0.000 1.243 168 I HN 0.720 nan 8.210 nan 0.000 0.425 169 A N 4.526 127.288 122.820 -0.097 0.000 2.569 169 A HA 0.900 5.220 4.320 -0.000 0.000 0.290 169 A C -1.293 176.273 177.584 -0.031 0.000 1.136 169 A CA -0.646 51.327 52.037 -0.108 0.000 0.710 169 A CB 2.218 21.209 19.000 -0.016 0.000 1.303 169 A HN 0.845 nan 8.150 nan 0.000 0.413 170 K N 0.155 120.532 120.400 -0.038 0.000 2.551 170 K HA 0.637 4.957 4.320 -0.000 0.000 0.269 170 K C -0.817 175.786 176.600 0.005 0.000 0.949 170 K CA 0.315 56.603 56.287 0.003 0.000 0.849 170 K CB 1.785 34.300 32.500 0.025 0.000 1.411 170 K HN 2.606 nan 8.250 nan 0.000 0.432 171 G N 0.801 109.616 108.800 0.025 0.000 3.313 171 G HA2 0.091 4.051 3.960 -0.000 0.000 0.659 171 G HA3 0.091 4.051 3.960 -0.000 0.000 0.659 171 G C -0.410 174.519 174.900 0.048 0.000 1.286 171 G CA -0.202 44.918 45.100 0.034 0.000 1.077 171 G HN 1.192 nan 8.290 nan 0.000 0.551 172 V N -0.275 119.669 119.914 0.049 0.000 3.415 172 V HA 0.812 4.932 4.120 -0.000 0.000 0.315 172 V C 0.769 176.913 176.094 0.083 0.000 1.516 172 V CA 0.889 63.226 62.300 0.062 0.000 1.122 172 V CB 0.516 32.367 31.823 0.048 0.000 0.988 172 V HN 2.228 nan 8.190 nan 0.000 0.474 173 G N -0.944 107.902 108.800 0.077 0.000 2.677 173 G HA2 0.513 4.473 3.960 -0.000 0.000 0.291 173 G HA3 0.513 4.473 3.960 -0.000 0.000 0.291 173 G C -0.288 174.663 174.900 0.085 0.000 1.435 173 G CA -0.468 44.693 45.100 0.102 0.000 0.826 173 G HN 0.743 nan 8.290 nan 0.000 0.491 174 M N -0.248 119.414 119.600 0.104 0.000 2.212 174 M HA -0.164 4.316 4.480 -0.000 0.000 0.193 174 M C -1.426 174.916 176.300 0.070 0.000 0.493 174 M CA 0.452 55.797 55.300 0.075 0.000 0.427 174 M CB -0.835 31.793 32.600 0.047 0.000 1.120 174 M HN 0.481 nan 8.290 nan 0.000 0.929 175 L N 1.655 122.927 121.223 0.081 0.000 2.427 175 L HA 0.531 4.871 4.340 -0.000 0.000 0.264 175 L C -0.416 176.498 176.870 0.072 0.000 0.989 175 L CA 0.007 54.892 54.840 0.075 0.000 0.865 175 L CB 1.446 43.554 42.059 0.082 0.000 1.209 175 L HN 0.403 nan 8.230 nan 0.000 0.430 176 E N 6.181 126.421 120.200 0.067 0.000 2.956 176 E HA 0.258 4.608 4.350 -0.000 0.000 0.353 176 E C -2.758 173.880 176.600 0.063 0.000 1.131 176 E CA -1.198 55.240 56.400 0.063 0.000 0.851 176 E CB 0.961 30.687 29.700 0.044 0.000 1.500 176 E HN 0.244 nan 8.360 nan 0.000 0.384 177 P HA 0.097 nan 4.420 nan 0.000 0.267 177 P C -0.408 176.931 177.300 0.064 0.000 1.200 177 P CA 0.276 63.419 63.100 0.071 0.000 0.772 177 P CB 0.808 32.558 31.700 0.084 0.000 0.855 178 D N 1.874 122.306 120.400 0.054 0.000 2.968 178 D HA 0.252 4.892 4.640 -0.000 0.000 0.301 178 D C -0.475 175.854 176.300 0.048 0.000 1.226 178 D CA -0.187 53.839 54.000 0.044 0.000 0.746 178 D CB -0.374 40.447 40.800 0.036 0.000 1.278 178 D HN 0.144 nan 8.370 nan 0.000 0.544 179 M N 0.728 120.353 119.600 0.042 0.000 2.274 179 M HA 0.655 5.135 4.480 -0.000 0.000 0.344 179 M C 0.712 177.029 176.300 0.028 0.000 1.161 179 M CA -0.379 54.943 55.300 0.037 0.000 1.126 179 M CB 2.084 34.681 32.600 -0.004 0.000 1.522 179 M HN 0.206 nan 8.290 nan 0.000 0.461 180 A N 0.514 123.366 122.820 0.053 0.000 2.699 180 A HA 0.250 4.570 4.320 -0.000 0.000 0.242 180 A C 0.091 177.732 177.584 0.095 0.000 1.142 180 A CA -0.346 51.725 52.037 0.057 0.000 1.008 180 A CB 0.318 19.355 19.000 0.062 0.000 1.232 180 A HN 0.683 nan 8.150 nan 0.000 0.574 181 T N 2.064 116.643 114.554 0.040 0.000 2.767 181 T HA 0.473 4.823 4.350 -0.000 0.000 0.288 181 T C -0.480 174.233 174.700 0.022 0.000 0.963 181 T CA -0.141 61.982 62.100 0.037 0.000 1.019 181 T CB 1.357 70.251 68.868 0.044 0.000 0.923 181 T HN 0.303 nan 8.240 nan 0.000 0.468 182 L N 5.813 127.038 121.223 0.003 0.000 2.264 182 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 182 L C -1.327 175.466 176.870 -0.129 0.000 1.044 182 L CA -0.462 54.348 54.840 -0.050 0.000 0.807 182 L CB 0.208 42.241 42.059 -0.043 0.000 1.192 182 L HN 0.634 nan 8.230 nan 0.000 0.425 183 L N 5.106 126.220 121.223 -0.182 0.000 2.376 183 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 183 L C -0.322 176.206 176.870 -0.571 0.000 0.987 183 L CA -0.233 54.411 54.840 -0.326 0.000 0.828 183 L CB 2.141 44.159 42.059 -0.069 0.000 1.249 183 L HN 0.616 nan 8.230 nan 0.000 0.409 184 T N 2.836 116.807 114.554 -0.971 0.000 2.952 184 T HA 0.740 5.090 4.350 -0.000 0.000 0.305 184 T C -1.419 172.601 174.700 -1.132 0.000 1.064 184 T CA -0.234 61.318 62.100 -0.915 0.000 1.008 184 T CB 0.908 69.245 68.868 -0.885 0.000 1.078 184 T HN 0.209 nan 8.240 nan 0.000 0.459 185 F N 3.543 123.338 119.950 -0.259 0.000 2.569 185 F HA 0.743 5.269 4.527 -0.000 0.000 0.312 185 F C -0.863 174.760 175.800 -0.294 0.000 1.109 185 F CA -1.083 56.867 58.000 -0.084 0.000 0.919 185 F CB 1.679 40.727 39.000 0.080 0.000 1.211 185 F HN 0.451 nan 8.300 nan 0.000 0.446 186 F N 1.664 121.737 119.950 0.204 0.000 2.520 186 F HA 0.805 5.332 4.527 -0.000 0.000 0.322 186 F C -0.135 175.708 175.800 0.070 0.000 1.103 186 F CA -0.995 57.056 58.000 0.085 0.000 0.926 186 F CB 2.129 41.191 39.000 0.103 0.000 1.154 186 F HN 0.565 nan 8.300 nan 0.000 0.453 187 A N 1.762 124.580 122.820 -0.003 0.000 2.374 187 A HA 0.764 5.084 4.320 -0.000 0.000 0.305 187 A C -0.820 176.623 177.584 -0.234 0.000 1.053 187 A CA -0.625 51.199 52.037 -0.356 0.000 0.726 187 A CB 1.769 20.093 19.000 -1.126 0.000 1.229 187 A HN 0.671 nan 8.150 nan 0.000 0.431 188 T N 0.152 114.740 114.554 0.057 0.000 2.903 188 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 188 T C -0.674 174.272 174.700 0.410 0.000 1.093 188 T CA -0.076 62.170 62.100 0.244 0.000 1.002 188 T CB 1.320 70.406 68.868 0.364 0.000 1.127 188 T HN 0.662 nan 8.240 nan 0.000 0.488 189 D N 1.529 122.130 120.400 0.334 0.000 2.368 189 D HA 0.351 4.991 4.640 -0.000 0.000 0.218 189 D C 0.747 177.137 176.300 0.149 0.000 1.112 189 D CA -0.316 53.849 54.000 0.275 0.000 0.834 189 D CB -0.135 40.806 40.800 0.234 0.000 0.953 189 D HN 0.584 nan 8.370 nan 0.000 0.505 190 A N 0.701 123.593 122.820 0.119 0.000 2.407 190 A HA 0.382 4.702 4.320 -0.000 0.000 0.248 190 A C 0.288 177.845 177.584 -0.044 0.000 1.082 190 A CA -0.592 51.459 52.037 0.024 0.000 0.785 190 A CB 0.370 19.356 19.000 -0.023 0.000 1.020 190 A HN 0.196 nan 8.150 nan 0.000 0.489 191 R N 1.923 122.395 120.500 -0.046 0.000 2.229 191 R HA 0.598 4.937 4.340 -0.000 0.000 0.328 191 R C -1.320 174.918 176.300 -0.103 0.000 1.009 191 R CA -0.194 55.874 56.100 -0.053 0.000 0.864 191 R CB 0.213 30.500 30.300 -0.022 0.000 1.085 191 R HN 0.723 nan 8.270 nan 0.000 0.453 192 L N 2.225 123.370 121.223 -0.130 0.000 2.333 192 L HA 0.369 4.709 4.340 -0.000 0.000 0.263 192 L C -0.624 176.197 176.870 -0.083 0.000 1.014 192 L CA -1.257 53.492 54.840 -0.152 0.000 0.820 192 L CB 2.010 43.900 42.059 -0.282 0.000 1.352 192 L HN 0.608 nan 8.230 nan 0.000 0.421 193 D N 1.493 121.858 120.400 -0.059 0.000 2.312 193 D HA 0.195 4.835 4.640 -0.000 0.000 0.252 193 D C -1.858 174.426 176.300 -0.028 0.000 1.150 193 D CA -1.509 52.473 54.000 -0.031 0.000 0.870 193 D CB 1.621 42.412 40.800 -0.015 0.000 1.153 193 D HN 0.115 nan 8.370 nan 0.000 0.457 194 P HA -0.284 nan 4.420 nan 0.000 0.218 194 P C 0.998 178.297 177.300 -0.002 0.000 1.165 194 P CA 2.543 65.636 63.100 -0.013 0.000 0.922 194 P CB 0.046 31.745 31.700 -0.002 0.000 0.794 195 A N -0.468 122.356 122.820 0.006 0.000 1.883 195 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 195 A C 2.189 179.787 177.584 0.023 0.000 1.186 195 A CA 2.060 54.107 52.037 0.016 0.000 0.624 195 A CB -1.388 17.622 19.000 0.016 0.000 0.822 195 A HN 0.211 nan 8.150 nan 0.000 0.444 196 E N -0.950 119.261 120.200 0.017 0.000 2.110 196 E HA -0.256 4.093 4.350 -0.000 0.000 0.193 196 E C 2.275 178.901 176.600 0.042 0.000 0.988 196 E CA 1.302 57.718 56.400 0.027 0.000 0.804 196 E CB -0.138 29.572 29.700 0.016 0.000 0.745 196 E HN 0.806 nan 8.360 nan 0.000 0.458 197 Q N 0.736 120.547 119.800 0.018 0.000 2.050 197 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 197 Q C 1.449 177.503 176.000 0.091 0.000 0.980 197 Q CA 1.708 57.528 55.803 0.029 0.000 0.840 197 Q CB 0.145 28.856 28.738 -0.046 0.000 0.898 197 Q HN 0.192 nan 8.270 nan 0.000 0.424 198 D N 0.024 120.462 120.400 0.065 0.000 2.117 198 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 198 D C 2.032 178.419 176.300 0.144 0.000 0.987 198 D CA 1.114 55.177 54.000 0.105 0.000 0.829 198 D CB -0.167 40.671 40.800 0.062 0.000 0.961 198 D HN 0.300 nan 8.370 nan 0.000 0.460 199 R N 0.504 121.062 120.500 0.097 0.000 2.073 199 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 199 R C 2.599 178.953 176.300 0.089 0.000 1.134 199 R CA 0.542 56.690 56.100 0.079 0.000 0.952 199 R CB -0.663 29.671 30.300 0.056 0.000 0.850 199 R HN 0.226 nan 8.270 nan 0.000 0.433 200 L N 0.368 121.657 121.223 0.110 0.000 2.042 200 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 200 L C 2.288 179.239 176.870 0.136 0.000 1.076 200 L CA 1.568 56.482 54.840 0.123 0.000 0.749 200 L CB -0.358 41.801 42.059 0.168 0.000 0.893 200 L HN 0.070 nan 8.230 nan 0.000 0.432 201 F N 1.175 121.137 119.950 0.019 0.000 2.075 201 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 201 F C 2.686 178.471 175.800 -0.025 0.000 1.113 201 F CA 1.754 59.743 58.000 -0.019 0.000 1.218 201 F CB -0.335 38.646 39.000 -0.032 0.000 0.984 201 F HN -0.027 nan 8.300 nan 0.000 0.472 202 R N -0.125 120.346 120.500 -0.048 0.000 2.120 202 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 202 R C 2.383 178.608 176.300 -0.125 0.000 1.123 202 R CA 1.410 57.429 56.100 -0.135 0.000 0.975 202 R CB -0.330 29.975 30.300 0.008 0.000 0.866 202 R HN 0.320 nan 8.270 nan 0.000 0.446 203 R N 0.043 120.506 120.500 -0.062 0.000 2.075 203 R HA -0.075 4.264 4.340 -0.000 0.000 0.232 203 R C 2.246 178.511 176.300 -0.058 0.000 1.126 203 R CA 1.332 57.413 56.100 -0.033 0.000 0.963 203 R CB -0.267 30.032 30.300 -0.002 0.000 0.858 203 R HN 0.081 nan 8.270 nan 0.000 0.435 204 V N 0.987 120.835 119.914 -0.111 0.000 2.453 204 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 204 V C 2.396 178.364 176.094 -0.210 0.000 1.048 204 V CA 1.318 63.540 62.300 -0.130 0.000 1.049 204 V CB -0.319 31.400 31.823 -0.174 0.000 0.672 204 V HN 0.261 nan 8.190 nan 0.000 0.457 205 M N -0.163 119.255 119.600 -0.303 0.000 2.117 205 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 205 M C 1.939 178.198 176.300 -0.069 0.000 1.065 205 M CA 1.590 56.756 55.300 -0.222 0.000 1.114 205 M CB -1.268 31.087 32.600 -0.410 0.000 1.361 205 M HN 0.332 nan 8.290 nan 0.000 0.408 206 D N -0.208 120.165 120.400 -0.045 0.000 2.263 206 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 206 D C 1.892 178.289 176.300 0.163 0.000 0.971 206 D CA 0.787 54.829 54.000 0.070 0.000 0.867 206 D CB -0.095 40.754 40.800 0.081 0.000 0.929 206 D HN 0.236 nan 8.370 nan 0.000 0.492 207 R N -0.180 120.337 120.500 0.028 0.000 2.334 207 R HA 0.114 4.454 4.340 -0.000 0.000 0.216 207 R C 1.467 177.699 176.300 -0.113 0.000 0.905 207 R CA 0.480 56.536 56.100 -0.072 0.000 1.064 207 R CB 0.533 30.785 30.300 -0.080 0.000 1.046 207 R HN 0.358 nan 8.270 nan 0.000 0.508 208 T N -3.682 110.788 114.554 -0.140 0.000 3.431 208 T HA 0.114 4.464 4.350 -0.000 0.000 0.207 208 T C 1.525 176.067 174.700 -0.263 0.000 0.979 208 T CA -0.172 61.743 62.100 -0.308 0.000 1.141 208 T CB -0.553 67.938 68.868 -0.628 0.000 1.278 208 T HN -0.094 nan 8.240 nan 0.000 0.334 209 F N 2.873 122.787 119.950 -0.059 0.000 2.293 209 F HA 0.275 4.802 4.527 -0.000 0.000 0.300 209 F C 1.860 177.666 175.800 0.010 0.000 1.086 209 F CA 0.647 58.628 58.000 -0.031 0.000 1.375 209 F CB -0.622 38.343 39.000 -0.057 0.000 1.045 209 F HN 0.219 nan 8.300 nan 0.000 0.516 210 N N -0.291 118.509 118.700 0.167 0.000 2.313 210 N HA 0.200 4.939 4.740 -0.000 0.000 0.207 210 N C 0.867 176.478 175.510 0.169 0.000 1.141 210 N CA 0.521 53.654 53.050 0.137 0.000 0.830 210 N CB 0.248 38.796 38.487 0.101 0.000 1.008 210 N HN 0.163 nan 8.380 nan 0.000 0.481 211 A N -0.675 122.267 122.820 0.203 0.000 2.609 211 A HA 0.285 4.605 4.320 -0.000 0.000 0.286 211 A C -0.037 177.701 177.584 0.255 0.000 1.138 211 A CA -0.228 51.989 52.037 0.300 0.000 0.960 211 A CB 0.633 19.885 19.000 0.420 0.000 1.208 211 A HN 0.038 nan 8.150 nan 0.000 0.541 212 V N -0.023 120.001 119.914 0.184 0.000 2.680 212 V HA 0.808 4.928 4.120 -0.000 0.000 0.309 212 V C -0.866 175.301 176.094 0.122 0.000 1.052 212 V CA -0.138 62.266 62.300 0.173 0.000 0.908 212 V CB 2.016 33.917 31.823 0.129 0.000 1.001 212 V HN 0.357 nan 8.190 nan 0.000 0.431 213 S N 6.230 121.992 115.700 0.105 0.000 2.668 213 S HA 0.516 4.986 4.470 -0.000 0.000 0.277 213 S C 0.135 174.768 174.600 0.055 0.000 1.170 213 S CA -0.730 57.512 58.200 0.069 0.000 0.994 213 S CB 1.239 64.466 63.200 0.045 0.000 1.051 213 S HN 0.579 nan 8.310 nan 0.000 0.484 214 I N 3.329 123.932 120.570 0.055 0.000 2.522 214 I HA 0.154 4.324 4.170 -0.000 0.000 0.240 214 I C 1.298 177.406 176.117 -0.016 0.000 1.078 214 I CA 0.985 62.310 61.300 0.043 0.000 1.422 214 I CB -0.799 37.255 38.000 0.091 0.000 1.188 214 I HN 0.789 nan 8.210 nan 0.000 0.442 215 D N -0.870 119.535 120.400 0.009 0.000 2.513 215 D HA 0.018 4.658 4.640 -0.000 0.000 0.222 215 D C 0.949 177.240 176.300 -0.016 0.000 1.210 215 D CA 0.979 54.949 54.000 -0.050 0.000 0.825 215 D CB -0.059 40.763 40.800 0.037 0.000 1.037 215 D HN 0.383 nan 8.370 nan 0.000 0.506 216 T N -2.899 111.657 114.554 0.004 0.000 6.974 216 T HA -0.256 4.093 4.350 -0.000 0.000 0.287 216 T C -0.395 174.317 174.700 0.021 0.000 2.146 216 T CA 1.114 63.219 62.100 0.008 0.000 3.451 216 T CB -2.376 66.486 68.868 -0.009 0.000 1.630 216 T HN 0.250 nan 8.240 nan 0.000 1.173 217 D N 2.848 123.269 120.400 0.036 0.000 2.517 217 D HA 0.299 4.939 4.640 -0.000 0.000 0.220 217 D C 0.260 176.585 176.300 0.042 0.000 1.158 217 D CA 0.174 54.197 54.000 0.038 0.000 0.992 217 D CB 0.852 41.682 40.800 0.051 0.000 1.058 217 D HN 0.537 nan 8.370 nan 0.000 0.516 218 T N 1.244 115.821 114.554 0.038 0.000 2.822 218 T HA -0.033 4.317 4.350 -0.000 0.000 0.288 218 T C 0.894 175.622 174.700 0.048 0.000 0.991 218 T CA 0.323 62.451 62.100 0.045 0.000 1.176 218 T CB 0.652 69.547 68.868 0.045 0.000 0.951 218 T HN 0.127 nan 8.240 nan 0.000 0.526 219 S N 2.049 117.781 115.700 0.052 0.000 2.596 219 S HA 0.130 4.599 4.470 -0.000 0.000 0.260 219 S C 1.640 176.281 174.600 0.068 0.000 1.336 219 S CA -0.059 58.173 58.200 0.054 0.000 0.993 219 S CB 0.404 63.636 63.200 0.053 0.000 0.923 219 S HN 0.875 nan 8.310 nan 0.000 0.567 220 T N -0.431 114.166 114.554 0.071 0.000 3.086 220 T HA 0.256 4.606 4.350 -0.000 0.000 0.250 220 T C 0.765 175.518 174.700 0.088 0.000 1.074 220 T CA 0.221 62.377 62.100 0.094 0.000 0.988 220 T CB 0.077 69.009 68.868 0.106 0.000 0.988 220 T HN 0.359 nan 8.240 nan 0.000 0.530 221 S N 0.658 116.407 115.700 0.083 0.000 2.787 221 S HA 0.207 4.677 4.470 -0.000 0.000 0.255 221 S C -0.480 174.184 174.600 0.107 0.000 1.051 221 S CA -0.603 57.653 58.200 0.092 0.000 1.124 221 S CB 0.247 63.498 63.200 0.084 0.000 1.104 221 S HN 0.401 nan 8.310 nan 0.000 0.623 222 D N 3.732 124.187 120.400 0.092 0.000 2.586 222 D HA 0.153 4.793 4.640 -0.000 0.000 0.234 222 D C -0.151 176.216 176.300 0.112 0.000 1.132 222 D CA 1.220 55.260 54.000 0.066 0.000 0.860 222 D CB 0.483 41.314 40.800 0.051 0.000 1.159 222 D HN 0.102 nan 8.370 nan 0.000 0.490 223 T N 0.858 115.427 114.554 0.025 0.000 2.971 223 T HA 0.671 5.021 4.350 -0.000 0.000 0.304 223 T C -0.736 173.813 174.700 -0.252 0.000 1.038 223 T CA -0.763 61.358 62.100 0.036 0.000 1.007 223 T CB 1.865 70.868 68.868 0.226 0.000 1.055 223 T HN 0.355 nan 8.240 nan 0.000 0.451 224 A N 2.667 125.317 122.820 -0.285 0.000 2.353 224 A HA 0.844 5.164 4.320 -0.000 0.000 0.299 224 A C -0.947 176.593 177.584 -0.073 0.000 1.089 224 A CA -0.612 51.272 52.037 -0.256 0.000 0.736 224 A CB 1.039 19.920 19.000 -0.199 0.000 1.195 224 A HN 0.679 nan 8.150 nan 0.000 0.447 225 V N 2.320 122.216 119.914 -0.030 0.000 2.876 225 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 225 V C -1.130 174.899 176.094 -0.110 0.000 1.085 225 V CA -0.640 61.575 62.300 -0.142 0.000 0.945 225 V CB 1.934 33.708 31.823 -0.082 0.000 1.017 225 V HN 0.917 nan 8.190 nan 0.000 0.428 226 L N 3.661 124.549 121.223 -0.558 0.000 2.376 226 L HA 0.753 5.093 4.340 -0.000 0.000 0.275 226 L C -1.592 175.061 176.870 -0.362 0.000 0.987 226 L CA 0.002 54.657 54.840 -0.309 0.000 0.828 226 L CB 1.335 43.129 42.059 -0.442 0.000 1.249 226 L HN 0.457 nan 8.230 nan 0.000 0.409 227 F N 4.302 124.315 119.950 0.105 0.000 2.458 227 F HA 0.817 5.344 4.527 -0.000 0.000 0.336 227 F C 0.345 176.295 175.800 0.249 0.000 1.114 227 F CA -0.407 57.705 58.000 0.188 0.000 0.987 227 F CB 2.170 41.370 39.000 0.333 0.000 1.130 227 F HN 0.641 nan 8.300 nan 0.000 0.458 228 A N 3.095 126.149 122.820 0.390 0.000 2.411 228 A HA 0.595 4.914 4.320 -0.000 0.000 0.285 228 A C -1.385 176.331 177.584 0.221 0.000 1.129 228 A CA -0.912 51.294 52.037 0.282 0.000 0.736 228 A CB 0.484 19.515 19.000 0.051 0.000 1.186 228 A HN 0.749 nan 8.150 nan 0.000 0.445 229 N N 1.418 120.259 118.700 0.235 0.000 2.444 229 N HA 0.437 5.177 4.740 -0.000 0.000 0.262 229 N C 0.740 176.290 175.510 0.066 0.000 0.974 229 N CA -0.073 53.025 53.050 0.079 0.000 0.933 229 N CB 1.644 40.096 38.487 -0.059 0.000 1.137 229 N HN 0.445 nan 8.380 nan 0.000 0.498 230 G N 1.719 110.538 108.800 0.031 0.000 3.158 230 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.204 230 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.204 230 G C 0.850 175.764 174.900 0.024 0.000 1.226 230 G CA -0.016 45.097 45.100 0.021 0.000 1.039 230 G HN 0.698 nan 8.290 nan 0.000 0.496 231 L N -0.563 120.679 121.223 0.031 0.000 2.261 231 L HA -0.138 4.202 4.340 -0.000 0.000 0.216 231 L C 2.797 179.690 176.870 0.039 0.000 1.114 231 L CA 1.265 56.119 54.840 0.024 0.000 0.777 231 L CB -0.142 41.928 42.059 0.017 0.000 0.910 231 L HN 0.405 nan 8.230 nan 0.000 0.440 232 A N -0.646 122.209 122.820 0.057 0.000 2.387 232 A HA 0.473 4.793 4.320 -0.000 0.000 0.234 232 A C 1.083 178.693 177.584 0.043 0.000 1.253 232 A CA 0.500 52.571 52.037 0.058 0.000 0.894 232 A CB -0.016 19.035 19.000 0.084 0.000 0.963 232 A HN 0.438 nan 8.150 nan 0.000 0.508 233 G N -1.842 106.976 108.800 0.030 0.000 2.756 233 G HA2 0.404 4.364 3.960 -0.000 0.000 0.678 233 G HA3 0.404 4.364 3.960 -0.000 0.000 0.678 233 G C -0.200 174.708 174.900 0.014 0.000 1.349 233 G CA -0.052 45.060 45.100 0.020 0.000 0.847 233 G HN 1.406 nan 8.290 nan 0.000 0.548 234 E N -1.236 118.968 120.200 0.007 0.000 2.442 234 E HA 0.518 4.868 4.350 -0.000 0.000 0.262 234 E C 0.474 177.081 176.600 0.013 0.000 1.004 234 E CA 0.589 56.989 56.400 -0.000 0.000 0.928 234 E CB 1.260 30.961 29.700 0.001 0.000 0.937 234 E HN 1.919 nan 8.360 nan 0.000 0.446 235 V N 2.450 122.368 119.914 0.006 0.000 2.962 235 V HA 0.286 4.406 4.120 -0.000 0.000 0.313 235 V C -0.109 176.011 176.094 0.043 0.000 1.099 235 V CA -0.999 61.327 62.300 0.042 0.000 0.971 235 V CB 2.245 34.114 31.823 0.077 0.000 1.028 235 V HN 0.985 nan 8.190 nan 0.000 0.430 236 D N 2.245 122.686 120.400 0.068 0.000 2.371 236 D HA 0.183 4.822 4.640 -0.000 0.000 0.256 236 D C 1.097 177.456 176.300 0.099 0.000 1.193 236 D CA 0.534 54.573 54.000 0.064 0.000 0.881 236 D CB 2.011 42.845 40.800 0.057 0.000 1.143 236 D HN 0.682 nan 8.370 nan 0.000 0.473 237 A N 4.154 127.018 122.820 0.073 0.000 1.927 237 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 237 A C 2.046 179.713 177.584 0.138 0.000 1.185 237 A CA 2.093 54.191 52.037 0.101 0.000 0.639 237 A CB -0.842 18.193 19.000 0.058 0.000 0.820 237 A HN 0.700 nan 8.150 nan 0.000 0.451 238 G N -0.747 108.105 108.800 0.087 0.000 2.402 238 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 238 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 238 G C 1.426 176.364 174.900 0.063 0.000 1.162 238 G CA 0.908 46.045 45.100 0.062 0.000 0.777 238 G HN 0.681 nan 8.290 nan 0.000 0.539 239 E N -0.487 119.760 120.200 0.079 0.000 2.150 239 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 239 E C 2.064 178.711 176.600 0.078 0.000 0.985 239 E CA 0.468 56.907 56.400 0.063 0.000 0.814 239 E CB -0.175 29.567 29.700 0.069 0.000 0.752 239 E HN 0.470 nan 8.360 nan 0.000 0.466 240 F N 2.214 122.171 119.950 0.011 0.000 2.146 240 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 240 F C 2.311 178.117 175.800 0.010 0.000 1.096 240 F CA 1.590 59.600 58.000 0.016 0.000 1.275 240 F CB 0.054 39.067 39.000 0.022 0.000 1.008 240 F HN -0.097 nan 8.300 nan 0.000 0.480 241 E N 0.273 120.527 120.200 0.091 0.000 2.118 241 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 241 E C 2.257 178.810 176.600 -0.078 0.000 0.992 241 E CA 1.596 58.001 56.400 0.008 0.000 0.804 241 E CB -0.173 29.563 29.700 0.060 0.000 0.741 241 E HN 0.606 nan 8.360 nan 0.000 0.458 242 E N 0.443 120.601 120.200 -0.070 0.000 2.106 242 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 242 E C 1.890 178.436 176.600 -0.089 0.000 0.984 242 E CA 1.291 57.645 56.400 -0.076 0.000 0.806 242 E CB -0.758 28.904 29.700 -0.065 0.000 0.750 242 E HN 0.471 nan 8.360 nan 0.000 0.458 243 A N 0.172 122.890 122.820 -0.169 0.000 1.873 243 A HA 0.143 4.463 4.320 -0.000 0.000 0.215 243 A C 2.438 179.861 177.584 -0.269 0.000 1.186 243 A CA 1.600 53.511 52.037 -0.209 0.000 0.616 243 A CB -0.447 18.391 19.000 -0.270 0.000 0.823 243 A HN 0.550 nan 8.150 nan 0.000 0.442 244 L N -0.712 120.243 121.223 -0.447 0.000 2.079 244 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 244 L C 2.413 179.128 176.870 -0.258 0.000 1.081 244 L CA 2.542 57.119 54.840 -0.437 0.000 0.752 244 L CB -0.695 41.073 42.059 -0.484 0.000 0.896 244 L HN 0.637 nan 8.230 nan 0.000 0.433 245 H N -1.156 117.767 119.070 -0.247 0.000 2.357 245 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 245 H C 1.835 177.065 175.328 -0.163 0.000 1.082 245 H CA 1.943 57.873 56.048 -0.196 0.000 1.342 245 H CB 0.080 29.746 29.762 -0.160 0.000 1.389 245 H HN 0.349 nan 8.280 nan 0.000 0.511 246 T N 0.879 115.444 114.554 0.017 0.000 2.746 246 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 246 T C 2.194 176.852 174.700 -0.070 0.000 1.039 246 T CA 1.353 63.446 62.100 -0.012 0.000 1.142 246 T CB -0.495 68.367 68.868 -0.010 0.000 0.866 246 T HN 0.499 nan 8.240 nan 0.000 0.444 247 A N 1.480 124.270 122.820 -0.050 0.000 1.855 247 A HA 0.186 4.506 4.320 -0.000 0.000 0.215 247 A C 2.671 180.307 177.584 0.087 0.000 1.191 247 A CA 1.841 53.908 52.037 0.051 0.000 0.613 247 A CB -1.250 17.847 19.000 0.162 0.000 0.829 247 A HN 0.492 nan 8.150 nan 0.000 0.442 248 A N -0.640 122.192 122.820 0.019 0.000 1.908 248 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 248 A C 2.136 179.461 177.584 -0.431 0.000 1.181 248 A CA 1.876 53.874 52.037 -0.066 0.000 0.627 248 A CB -0.652 18.189 19.000 -0.266 0.000 0.818 248 A HN 0.700 nan 8.150 nan 0.000 0.445 249 L N -0.507 120.440 121.223 -0.460 0.000 2.141 249 L HA 0.020 4.360 4.340 -0.000 0.000 0.209 249 L C 2.586 179.243 176.870 -0.355 0.000 1.094 249 L CA 1.920 56.465 54.840 -0.493 0.000 0.763 249 L CB -0.707 41.081 42.059 -0.451 0.000 0.908 249 L HN 0.340 nan 8.230 nan 0.000 0.437 250 A N -0.834 121.858 122.820 -0.214 0.000 1.929 250 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 250 A C 2.216 179.721 177.584 -0.132 0.000 1.176 250 A CA 1.570 53.521 52.037 -0.143 0.000 0.628 250 A CB -0.639 18.316 19.000 -0.075 0.000 0.816 250 A HN 0.468 nan 8.150 nan 0.000 0.444 251 L N -0.704 120.455 121.223 -0.107 0.000 2.072 251 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 251 L C 2.488 179.302 176.870 -0.094 0.000 1.079 251 L CA 0.777 55.599 54.840 -0.030 0.000 0.752 251 L CB -0.530 41.621 42.059 0.153 0.000 0.906 251 L HN 0.221 nan 8.230 nan 0.000 0.436 252 V N 0.129 119.848 119.914 -0.324 0.000 2.332 252 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 252 V C 2.477 178.397 176.094 -0.290 0.000 1.055 252 V CA 1.758 63.830 62.300 -0.379 0.000 1.038 252 V CB -0.500 30.936 31.823 -0.645 0.000 0.651 252 V HN 0.421 nan 8.190 nan 0.000 0.450 253 K N -0.460 119.736 120.400 -0.339 0.000 2.211 253 K HA -0.158 4.162 4.320 -0.000 0.000 0.203 253 K C 1.827 178.360 176.600 -0.111 0.000 1.050 253 K CA 1.386 57.523 56.287 -0.250 0.000 0.945 253 K CB -0.256 32.100 32.500 -0.240 0.000 0.732 253 K HN 0.471 nan 8.250 nan 0.000 0.451 254 D N 1.155 121.504 120.400 -0.086 0.000 2.117 254 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 254 D C 1.873 178.167 176.300 -0.010 0.000 0.982 254 D CA 0.928 54.908 54.000 -0.033 0.000 0.828 254 D CB -0.144 40.645 40.800 -0.018 0.000 0.967 254 D HN 0.149 nan 8.370 nan 0.000 0.464 255 I N 1.058 121.626 120.570 -0.003 0.000 2.179 255 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 255 I C 2.434 178.569 176.117 0.030 0.000 1.088 255 I CA 1.069 62.387 61.300 0.029 0.000 1.357 255 I CB -0.201 37.838 38.000 0.064 0.000 1.051 255 I HN -0.068 nan 8.210 nan 0.000 0.409 256 A N -0.062 122.766 122.820 0.013 0.000 1.902 256 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 256 A C 2.447 180.054 177.584 0.039 0.000 1.181 256 A CA 2.131 54.192 52.037 0.041 0.000 0.623 256 A CB -0.681 18.353 19.000 0.056 0.000 0.818 256 A HN 0.386 nan 8.150 nan 0.000 0.443 257 S N -0.648 115.065 115.700 0.021 0.000 2.423 257 S HA -0.096 4.373 4.470 -0.000 0.000 0.231 257 S C 1.258 175.874 174.600 0.027 0.000 1.014 257 S CA 1.297 59.511 58.200 0.023 0.000 0.965 257 S CB -0.205 63.001 63.200 0.009 0.000 0.785 257 S HN 0.656 nan 8.310 nan 0.000 0.495 258 D N 1.118 121.535 120.400 0.028 0.000 2.388 258 D HA 0.228 4.867 4.640 -0.000 0.000 0.221 258 D C 0.717 177.043 176.300 0.043 0.000 1.133 258 D CA -0.217 53.802 54.000 0.031 0.000 0.831 258 D CB -0.225 40.590 40.800 0.025 0.000 0.962 258 D HN 0.253 nan 8.370 nan 0.000 0.502 259 G N 0.745 109.578 108.800 0.054 0.000 2.391 259 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.234 259 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.234 259 G C 0.065 175.019 174.900 0.090 0.000 1.284 259 G CA -0.369 44.778 45.100 0.078 0.000 0.873 259 G HN 0.279 nan 8.290 nan 0.000 0.549 260 E N 0.993 121.264 120.200 0.117 0.000 2.757 260 E HA 0.178 4.528 4.350 -0.000 0.000 0.238 260 E C 1.378 178.053 176.600 0.126 0.000 1.057 260 E CA 0.990 57.442 56.400 0.087 0.000 0.952 260 E CB -0.032 29.676 29.700 0.013 0.000 0.934 260 E HN 1.002 nan 8.360 nan 0.000 0.518 261 G N 2.605 111.442 108.800 0.063 0.000 2.162 261 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.260 261 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.260 261 G C 0.441 175.370 174.900 0.048 0.000 0.976 261 G CA 0.041 45.174 45.100 0.055 0.000 0.655 261 G HN 0.792 nan 8.290 nan 0.000 0.533 262 A N -0.267 122.587 122.820 0.057 0.000 2.462 262 A HA 0.793 5.113 4.320 -0.000 0.000 0.243 262 A C 1.413 179.030 177.584 0.056 0.000 1.076 262 A CA 1.015 53.080 52.037 0.046 0.000 0.773 262 A CB 0.801 19.831 19.000 0.050 0.000 1.010 262 A HN 1.720 nan 8.150 nan 0.000 0.493 263 A N 2.063 124.930 122.820 0.079 0.000 2.108 263 A HA 0.341 4.661 4.320 -0.000 0.000 0.206 263 A C 0.759 178.378 177.584 0.058 0.000 1.212 263 A CA 1.019 53.109 52.037 0.089 0.000 0.843 263 A CB 0.099 19.196 19.000 0.162 0.000 0.902 263 A HN 0.853 nan 8.150 nan 0.000 0.477 264 K N -0.741 119.694 120.400 0.058 0.000 2.532 264 K HA 0.683 5.003 4.320 -0.000 0.000 0.265 264 K C -1.305 175.318 176.600 0.038 0.000 0.948 264 K CA -0.731 55.576 56.287 0.033 0.000 0.842 264 K CB 1.617 34.124 32.500 0.011 0.000 1.392 264 K HN 0.121 nan 8.250 nan 0.000 0.436 265 L N 2.724 123.969 121.223 0.037 0.000 2.334 265 L HA 0.529 4.868 4.340 -0.000 0.000 0.277 265 L C -1.068 175.845 176.870 0.071 0.000 1.075 265 L CA -0.762 54.115 54.840 0.061 0.000 0.804 265 L CB 0.687 42.787 42.059 0.067 0.000 1.174 265 L HN 0.619 nan 8.230 nan 0.000 0.438 266 I N 4.405 125.032 120.570 0.094 0.000 2.433 266 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 266 I C -0.606 175.570 176.117 0.098 0.000 1.001 266 I CA -0.464 60.890 61.300 0.090 0.000 1.119 266 I CB 1.894 39.937 38.000 0.071 0.000 1.289 266 I HN 0.642 nan 8.210 nan 0.000 0.438 267 E N 6.108 126.349 120.200 0.068 0.000 2.191 267 E HA 0.514 4.864 4.350 -0.000 0.000 0.263 267 E C -1.731 174.823 176.600 -0.076 0.000 0.881 267 E CA -0.612 55.750 56.400 -0.064 0.000 0.757 267 E CB 2.109 31.814 29.700 0.008 0.000 1.147 267 E HN 0.357 nan 8.360 nan 0.000 0.414 268 V N 5.107 124.928 119.914 -0.155 0.000 2.357 268 V HA 0.241 4.361 4.120 -0.000 0.000 0.284 268 V C -0.468 175.564 176.094 -0.104 0.000 1.018 268 V CA -0.694 61.557 62.300 -0.082 0.000 0.841 268 V CB 1.320 33.115 31.823 -0.046 0.000 0.991 268 V HN 0.694 nan 8.190 nan 0.000 0.437 269 Q N 3.868 123.627 119.800 -0.070 0.000 2.431 269 Q HA 0.520 4.860 4.340 -0.000 0.000 0.249 269 Q C -0.904 175.078 176.000 -0.029 0.000 1.025 269 Q CA -0.439 55.329 55.803 -0.058 0.000 0.835 269 Q CB 2.196 30.901 28.738 -0.055 0.000 1.207 269 Q HN 0.596 nan 8.270 nan 0.000 0.490 270 V N 2.756 122.670 119.914 -0.001 0.000 2.439 270 V HA 0.503 4.623 4.120 -0.000 0.000 0.282 270 V C 0.339 176.442 176.094 0.015 0.000 1.039 270 V CA -0.316 61.988 62.300 0.008 0.000 0.913 270 V CB 1.393 33.230 31.823 0.023 0.000 0.983 270 V HN 0.876 nan 8.190 nan 0.000 0.460 271 T N 0.188 114.742 114.554 0.000 0.000 2.896 271 T HA 0.692 5.042 4.350 -0.000 0.000 0.297 271 T C 0.646 175.344 174.700 -0.003 0.000 1.108 271 T CA -0.007 62.093 62.100 0.000 0.000 1.004 271 T CB 1.807 70.668 68.868 -0.012 0.000 1.159 271 T HN 1.707 nan 8.240 nan 0.000 0.499 272 G N 0.077 108.876 108.800 -0.002 0.000 2.162 272 G HA2 0.088 4.048 3.960 -0.000 0.000 0.260 272 G HA3 0.088 4.048 3.960 -0.000 0.000 0.260 272 G C 0.486 175.385 174.900 -0.001 0.000 0.976 272 G CA 0.147 45.244 45.100 -0.004 0.000 0.655 272 G HN 1.539 nan 8.290 nan 0.000 0.533 273 A N 0.048 122.871 122.820 0.005 0.000 2.366 273 A HA 0.657 4.977 4.320 -0.000 0.000 0.250 273 A C 1.614 179.200 177.584 0.003 0.000 1.099 273 A CA 0.949 52.988 52.037 0.004 0.000 0.794 273 A CB 0.112 19.116 19.000 0.008 0.000 1.056 273 A HN 1.239 nan 8.150 nan 0.000 0.499 274 R N -0.221 120.279 120.500 -0.000 0.000 2.235 274 R HA 0.010 4.350 4.340 -0.000 0.000 0.213 274 R C -0.271 176.031 176.300 0.003 0.000 1.059 274 R CA 1.390 57.490 56.100 -0.000 0.000 0.997 274 R CB -0.280 30.019 30.300 -0.003 0.000 0.884 274 R HN 0.820 nan 8.270 nan 0.000 0.462 275 D N -1.756 118.647 120.400 0.006 0.000 2.764 275 D HA 0.007 4.647 4.640 -0.000 0.000 0.293 275 D C -0.797 175.517 176.300 0.024 0.000 1.287 275 D CA -0.614 53.394 54.000 0.013 0.000 0.768 275 D CB 0.222 41.026 40.800 0.007 0.000 1.288 275 D HN -0.235 nan 8.370 nan 0.000 0.426 276 D N 0.236 120.663 120.400 0.044 0.000 2.117 276 D HA -0.040 4.600 4.640 -0.000 0.000 0.197 276 D C 2.031 178.337 176.300 0.010 0.000 0.987 276 D CA 2.413 56.466 54.000 0.089 0.000 0.829 276 D CB -0.526 40.363 40.800 0.147 0.000 0.961 276 D HN 0.532 nan 8.370 nan 0.000 0.460 277 A N 0.598 123.402 122.820 -0.028 0.000 1.908 277 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 277 A C 2.115 179.637 177.584 -0.104 0.000 1.181 277 A CA 1.919 53.902 52.037 -0.090 0.000 0.627 277 A CB -0.694 18.272 19.000 -0.055 0.000 0.818 277 A HN 0.289 nan 8.150 nan 0.000 0.445 278 Q N -0.882 118.884 119.800 -0.057 0.000 2.172 278 Q HA -0.006 4.334 4.340 -0.000 0.000 0.200 278 Q C 2.159 178.128 176.000 -0.052 0.000 0.964 278 Q CA 1.082 56.855 55.803 -0.051 0.000 0.855 278 Q CB -0.274 28.448 28.738 -0.027 0.000 0.918 278 Q HN 0.609 nan 8.270 nan 0.000 0.444 279 A N 1.433 124.235 122.820 -0.030 0.000 1.902 279 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 279 A C 2.031 179.587 177.584 -0.047 0.000 1.181 279 A CA 1.665 53.705 52.037 0.004 0.000 0.623 279 A CB -0.498 18.554 19.000 0.088 0.000 0.818 279 A HN 0.353 nan 8.150 nan 0.000 0.443 280 K N -0.448 119.827 120.400 -0.208 0.000 2.026 280 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 280 K C 2.361 178.818 176.600 -0.239 0.000 1.048 280 K CA 1.457 57.477 56.287 -0.446 0.000 0.929 280 K CB -0.220 31.693 32.500 -0.978 0.000 0.713 280 K HN 0.441 nan 8.250 nan 0.000 0.439 281 R N 0.393 120.785 120.500 -0.179 0.000 2.083 281 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 281 R C 2.070 178.325 176.300 -0.075 0.000 1.137 281 R CA 1.820 57.852 56.100 -0.112 0.000 0.951 281 R CB -0.306 29.943 30.300 -0.086 0.000 0.851 281 R HN 0.087 nan 8.270 nan 0.000 0.434 282 V N 0.387 120.265 119.914 -0.060 0.000 2.343 282 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 282 V C 2.426 178.499 176.094 -0.034 0.000 1.051 282 V CA 2.045 64.322 62.300 -0.039 0.000 1.036 282 V CB -0.934 30.873 31.823 -0.027 0.000 0.654 282 V HN 0.692 nan 8.190 nan 0.000 0.451 283 G N -0.191 108.589 108.800 -0.035 0.000 2.459 283 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 283 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 283 G C 1.662 176.546 174.900 -0.026 0.000 1.183 283 G CA 0.681 45.770 45.100 -0.020 0.000 0.776 283 G HN 0.339 nan 8.290 nan 0.000 0.552 284 K N 0.286 120.659 120.400 -0.045 0.000 2.097 284 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 284 K C 2.715 179.298 176.600 -0.028 0.000 1.049 284 K CA 1.418 57.684 56.287 -0.036 0.000 0.933 284 K CB -1.016 31.450 32.500 -0.057 0.000 0.717 284 K HN 0.284 nan 8.250 nan 0.000 0.442 285 T N 1.378 115.913 114.554 -0.032 0.000 2.746 285 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 285 T C 2.076 176.766 174.700 -0.017 0.000 1.039 285 T CA 1.282 63.367 62.100 -0.025 0.000 1.142 285 T CB -0.156 68.697 68.868 -0.026 0.000 0.866 285 T HN -0.080 nan 8.240 nan 0.000 0.444 286 V N 0.731 120.637 119.914 -0.013 0.000 2.307 286 V HA -0.075 4.045 4.120 -0.000 0.000 0.245 286 V C 2.527 178.625 176.094 0.006 0.000 1.045 286 V CA 1.159 63.459 62.300 -0.002 0.000 1.024 286 V CB -0.595 31.228 31.823 0.001 0.000 0.651 286 V HN 0.299 nan 8.190 nan 0.000 0.449 287 V N 0.609 120.524 119.914 0.002 0.000 2.970 287 V HA -0.092 4.027 4.120 -0.000 0.000 0.260 287 V C 1.798 177.890 176.094 -0.004 0.000 1.100 287 V CA 1.635 63.939 62.300 0.008 0.000 1.122 287 V CB -0.521 31.308 31.823 0.010 0.000 0.721 287 V HN 0.598 nan 8.190 nan 0.000 0.483 288 N N -0.308 118.385 118.700 -0.013 0.000 2.280 288 N HA 0.078 4.818 4.740 -0.000 0.000 0.192 288 N C 0.756 176.246 175.510 -0.034 0.000 1.109 288 N CA 0.338 53.372 53.050 -0.027 0.000 0.855 288 N CB 0.467 38.940 38.487 -0.025 0.000 0.974 288 N HN 0.359 nan 8.380 nan 0.000 0.482 289 S N 2.177 117.864 115.700 -0.023 0.000 2.443 289 S HA 0.167 4.637 4.470 -0.000 0.000 0.284 289 S C -1.470 173.112 174.600 -0.030 0.000 1.206 289 S CA -1.281 56.905 58.200 -0.023 0.000 1.074 289 S CB 1.019 64.213 63.200 -0.011 0.000 0.963 289 S HN -0.031 nan 8.310 nan 0.000 0.501 290 P HA -0.128 nan 4.420 nan 0.000 0.216 290 P C 1.292 178.570 177.300 -0.035 0.000 1.150 290 P CA 1.155 64.223 63.100 -0.053 0.000 0.843 290 P CB 0.086 31.753 31.700 -0.055 0.000 0.787 291 L N -1.694 119.514 121.223 -0.025 0.000 2.201 291 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 291 L C 2.216 179.082 176.870 -0.006 0.000 1.105 291 L CA 1.038 55.867 54.840 -0.018 0.000 0.775 291 L CB -0.632 41.414 42.059 -0.022 0.000 0.913 291 L HN -0.095 nan 8.230 nan 0.000 0.440 292 V N -0.355 119.561 119.914 0.003 0.000 2.407 292 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 292 V C 2.360 178.470 176.094 0.028 0.000 1.041 292 V CA 1.438 63.756 62.300 0.030 0.000 1.040 292 V CB -0.371 31.479 31.823 0.044 0.000 0.671 292 V HN 0.377 nan 8.190 nan 0.000 0.455 293 K N 0.746 121.150 120.400 0.005 0.000 2.063 293 K HA -0.187 4.132 4.320 -0.000 0.000 0.208 293 K C 2.231 178.838 176.600 0.013 0.000 1.048 293 K CA 2.095 58.380 56.287 -0.003 0.000 0.928 293 K CB -0.561 31.911 32.500 -0.047 0.000 0.713 293 K HN 0.710 nan 8.250 nan 0.000 0.442 294 T N -0.626 113.932 114.554 0.006 0.000 2.821 294 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 294 T C 2.154 176.894 174.700 0.066 0.000 1.046 294 T CA 0.898 63.022 62.100 0.041 0.000 1.139 294 T CB -0.335 68.543 68.868 0.016 0.000 0.871 294 T HN 0.180 nan 8.240 nan 0.000 0.454 295 A N 1.536 124.371 122.820 0.025 0.000 1.865 295 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 295 A C 2.636 180.213 177.584 -0.012 0.000 1.191 295 A CA 1.849 53.885 52.037 -0.002 0.000 0.623 295 A CB -1.310 17.685 19.000 -0.007 0.000 0.826 295 A HN 0.393 nan 8.150 nan 0.000 0.444 296 V N -0.231 119.687 119.914 0.006 0.000 2.568 296 V HA -0.275 3.844 4.120 -0.000 0.000 0.253 296 V C 2.449 178.554 176.094 0.018 0.000 1.072 296 V CA 2.497 64.790 62.300 -0.012 0.000 1.084 296 V CB -1.082 30.753 31.823 0.019 0.000 0.676 296 V HN 0.855 nan 8.190 nan 0.000 0.469 297 H N 1.062 120.107 119.070 -0.042 0.000 2.389 297 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 297 H C 2.034 177.338 175.328 -0.040 0.000 1.081 297 H CA 1.622 57.649 56.048 -0.035 0.000 1.345 297 H CB -0.360 29.388 29.762 -0.024 0.000 1.393 297 H HN 0.373 nan 8.280 nan 0.000 0.520 298 G N -1.399 107.328 108.800 -0.121 0.000 3.262 298 G HA2 0.053 4.013 3.960 -0.000 0.000 0.228 298 G HA3 0.053 4.013 3.960 -0.000 0.000 0.228 298 G C 0.307 175.121 174.900 -0.143 0.000 1.197 298 G CA 0.293 45.286 45.100 -0.177 0.000 0.819 298 G HN 0.606 nan 8.290 nan 0.000 0.531 299 C N 0.357 119.575 119.300 -0.137 0.000 4.268 299 C HA -0.142 4.318 4.460 -0.000 0.000 0.299 299 C C 0.248 175.156 174.990 -0.137 0.000 1.429 299 C CA 0.044 58.983 59.018 -0.132 0.000 2.018 299 C CB -2.519 25.150 27.740 -0.119 0.000 1.277 299 C HN 0.665 nan 8.230 nan 0.000 0.767 300 D N 1.149 121.462 120.400 -0.145 0.000 2.381 300 D HA 0.413 5.053 4.640 -0.000 0.000 0.235 300 D C -1.567 174.587 176.300 -0.243 0.000 1.068 300 D CA -2.015 51.895 54.000 -0.150 0.000 0.832 300 D CB 1.349 42.087 40.800 -0.103 0.000 1.101 300 D HN 0.240 nan 8.370 nan 0.000 0.515 301 P HA 0.085 nan 4.420 nan 0.000 0.225 301 P C -0.311 176.927 177.300 -0.102 0.000 1.768 301 P CA -0.425 62.298 63.100 -0.628 0.000 0.943 301 P CB -0.246 31.185 31.700 -0.448 0.000 1.936 302 N N 2.274 120.948 118.700 -0.044 0.000 2.605 302 N HA -0.041 4.699 4.740 -0.000 0.000 0.282 302 N C 1.341 176.963 175.510 0.186 0.000 1.206 302 N CA -0.306 52.743 53.050 -0.002 0.000 1.074 302 N CB -0.059 38.393 38.487 -0.057 0.000 1.434 302 N HN 0.450 nan 8.380 nan 0.000 0.506 303 W N 2.145 123.647 121.300 0.338 0.000 2.525 303 W HA 0.045 4.704 4.660 -0.000 0.000 0.259 303 W C 1.111 177.641 176.519 0.018 0.000 1.253 303 W CA 0.344 57.797 57.345 0.180 0.000 1.262 303 W CB -0.903 28.621 29.460 0.106 0.000 1.122 303 W HN 0.263 nan 8.180 nan 0.000 0.607 304 G N 1.941 110.414 108.800 -0.545 0.000 2.421 304 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 304 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 304 G C 1.832 176.632 174.900 -0.167 0.000 1.171 304 G CA 1.052 45.823 45.100 -0.548 0.000 0.775 304 G HN 0.238 nan 8.290 nan 0.000 0.543 305 R N -0.312 120.126 120.500 -0.104 0.000 2.115 305 R HA 0.041 4.381 4.340 -0.000 0.000 0.230 305 R C 2.624 178.931 176.300 0.010 0.000 1.111 305 R CA 0.791 56.868 56.100 -0.037 0.000 0.976 305 R CB -0.345 29.943 30.300 -0.021 0.000 0.870 305 R HN 0.300 nan 8.270 nan 0.000 0.445 306 V N 1.030 120.983 119.914 0.063 0.000 2.358 306 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 306 V C 2.452 178.553 176.094 0.011 0.000 1.047 306 V CA 1.958 64.292 62.300 0.057 0.000 1.035 306 V CB -0.664 31.205 31.823 0.076 0.000 0.658 306 V HN 0.383 nan 8.190 nan 0.000 0.452 307 A N 0.018 122.847 122.820 0.016 0.000 1.883 307 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 307 A C 2.285 179.848 177.584 -0.036 0.000 1.186 307 A CA 2.345 54.355 52.037 -0.045 0.000 0.624 307 A CB -0.624 18.354 19.000 -0.037 0.000 0.822 307 A HN 0.437 nan 8.150 nan 0.000 0.444 308 M N 0.317 119.901 119.600 -0.027 0.000 2.080 308 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 308 M C 2.208 178.495 176.300 -0.021 0.000 1.068 308 M CA 2.371 57.655 55.300 -0.026 0.000 1.109 308 M CB -1.129 31.452 32.600 -0.032 0.000 1.342 308 M HN 0.412 nan 8.290 nan 0.000 0.405 309 A N 0.832 123.642 122.820 -0.016 0.000 1.877 309 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 309 A C 2.175 179.748 177.584 -0.018 0.000 1.186 309 A CA 1.913 53.942 52.037 -0.014 0.000 0.620 309 A CB -1.022 17.974 19.000 -0.006 0.000 0.822 309 A HN 0.626 nan 8.150 nan 0.000 0.443 310 I N -0.161 120.396 120.570 -0.022 0.000 2.208 310 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 310 I C 2.608 178.712 176.117 -0.021 0.000 1.097 310 I CA 1.189 62.475 61.300 -0.024 0.000 1.363 310 I CB -0.648 37.333 38.000 -0.032 0.000 1.051 310 I HN 0.411 nan 8.210 nan 0.000 0.413 311 G N 0.746 109.534 108.800 -0.021 0.000 2.498 311 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 311 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 311 G C 1.632 176.524 174.900 -0.013 0.000 1.119 311 G CA 0.301 45.391 45.100 -0.015 0.000 0.766 311 G HN 0.365 nan 8.290 nan 0.000 0.552 312 K N -0.391 119.999 120.400 -0.016 0.000 2.362 312 K HA -0.017 4.303 4.320 -0.000 0.000 0.200 312 K C 0.723 177.314 176.600 -0.015 0.000 1.046 312 K CA 0.268 56.546 56.287 -0.015 0.000 0.952 312 K CB -0.110 32.380 32.500 -0.017 0.000 0.753 312 K HN 0.245 nan 8.250 nan 0.000 0.466 313 C N 2.725 122.015 119.300 -0.016 0.000 3.305 313 C HA 0.073 4.533 4.460 -0.000 0.000 0.566 313 C C 1.923 176.905 174.990 -0.013 0.000 1.178 313 C CA -0.441 58.566 59.018 -0.017 0.000 1.317 313 C CB -2.084 25.644 27.740 -0.020 0.000 1.634 313 C HN 0.419 nan 8.230 nan 0.000 0.643 314 S N -0.317 115.377 115.700 -0.011 0.000 2.500 314 S HA -0.159 4.311 4.470 -0.000 0.000 0.239 314 S C 1.029 175.625 174.600 -0.007 0.000 0.989 314 S CA 1.397 59.592 58.200 -0.008 0.000 0.951 314 S CB -0.185 63.011 63.200 -0.007 0.000 0.759 314 S HN 0.652 nan 8.310 nan 0.000 0.523 315 D N 1.731 122.125 120.400 -0.009 0.000 2.348 315 D HA 0.108 4.748 4.640 -0.000 0.000 0.211 315 D C -0.510 175.785 176.300 -0.009 0.000 0.998 315 D CA 0.448 54.443 54.000 -0.009 0.000 0.873 315 D CB -0.192 40.602 40.800 -0.010 0.000 0.925 315 D HN 0.537 nan 8.370 nan 0.000 0.524 316 D N -0.070 120.324 120.400 -0.010 0.000 2.741 316 D HA 0.005 4.645 4.640 -0.000 0.000 0.233 316 D C 1.277 177.573 176.300 -0.006 0.000 1.160 316 D CA 0.048 54.042 54.000 -0.010 0.000 1.003 316 D CB 0.471 41.263 40.800 -0.013 0.000 1.064 316 D HN -0.018 nan 8.370 nan 0.000 0.503 317 T N -2.162 112.389 114.554 -0.005 0.000 3.052 317 T HA -0.203 4.147 4.350 -0.000 0.000 0.270 317 T C 1.176 175.875 174.700 -0.001 0.000 1.147 317 T CA 0.557 62.656 62.100 -0.002 0.000 1.089 317 T CB -0.035 68.832 68.868 -0.002 0.000 0.875 317 T HN 0.231 nan 8.240 nan 0.000 0.541 318 D N 0.575 120.974 120.400 -0.002 0.000 2.340 318 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 318 D C 0.532 176.832 176.300 0.000 0.000 1.039 318 D CA -0.363 53.636 54.000 -0.001 0.000 0.866 318 D CB -0.449 40.350 40.800 -0.003 0.000 0.913 318 D HN 0.482 nan 8.370 nan 0.000 0.523 319 I N 1.721 122.291 120.570 0.000 0.000 2.347 319 I HA 0.049 4.219 4.170 -0.000 0.000 0.294 319 I C 0.068 176.191 176.117 0.010 0.000 1.090 319 I CA -0.316 60.986 61.300 0.003 0.000 1.314 319 I CB 0.538 38.538 38.000 -0.000 0.000 1.423 319 I HN -0.207 nan 8.210 nan 0.000 0.503 320 D N 6.452 126.860 120.400 0.014 0.000 2.359 320 D HA 0.025 4.664 4.640 -0.000 0.000 0.230 320 D C 0.949 177.274 176.300 0.040 0.000 1.118 320 D CA -0.204 53.808 54.000 0.021 0.000 0.844 320 D CB 1.321 42.129 40.800 0.014 0.000 1.059 320 D HN 0.554 nan 8.370 nan 0.000 0.493 321 Q N 3.136 122.965 119.800 0.049 0.000 2.290 321 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 321 Q C 0.614 176.698 176.000 0.140 0.000 0.991 321 Q CA 1.579 57.433 55.803 0.086 0.000 0.893 321 Q CB 0.358 29.140 28.738 0.072 0.000 0.913 321 Q HN 0.563 nan 8.270 nan 0.000 0.428 322 E N -0.292 119.954 120.200 0.078 0.000 2.250 322 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 322 E C 1.745 178.347 176.600 0.003 0.000 0.986 322 E CA 0.429 56.854 56.400 0.041 0.000 0.849 322 E CB 0.147 29.854 29.700 0.012 0.000 0.797 322 E HN 0.427 nan 8.360 nan 0.000 0.482 323 R N 0.822 121.331 120.500 0.015 0.000 2.300 323 R HA 0.127 4.467 4.340 -0.000 0.000 0.199 323 R C 0.579 176.883 176.300 0.007 0.000 0.920 323 R CA -0.065 56.031 56.100 -0.007 0.000 1.046 323 R CB 0.439 30.736 30.300 -0.006 0.000 0.984 323 R HN -0.110 nan 8.270 nan 0.000 0.493 324 V N 2.337 122.293 119.914 0.070 0.000 2.572 324 V HA 0.067 4.187 4.120 -0.000 0.000 0.291 324 V C 0.566 176.744 176.094 0.140 0.000 1.039 324 V CA 0.070 62.434 62.300 0.108 0.000 1.055 324 V CB 1.188 33.094 31.823 0.138 0.000 0.969 324 V HN 0.308 nan 8.190 nan 0.000 0.482 325 T N 3.452 118.044 114.554 0.063 0.000 2.863 325 T HA 0.823 5.173 4.350 -0.000 0.000 0.285 325 T C -0.835 173.875 174.700 0.018 0.000 1.009 325 T CA -0.639 61.472 62.100 0.018 0.000 0.989 325 T CB 1.658 70.485 68.868 -0.069 0.000 1.004 325 T HN 0.333 nan 8.240 nan 0.000 0.455 326 I N 2.260 122.828 120.570 -0.003 0.000 2.608 326 I HA 0.659 4.829 4.170 -0.000 0.000 0.295 326 I C -0.224 175.774 176.117 -0.199 0.000 1.049 326 I CA -1.229 60.002 61.300 -0.116 0.000 1.063 326 I CB 2.376 40.297 38.000 -0.132 0.000 1.248 326 I HN 0.828 nan 8.210 nan 0.000 0.424 327 R N 3.837 124.176 120.500 -0.268 0.000 2.698 327 R HA 0.666 5.006 4.340 -0.000 0.000 0.275 327 R C -2.101 174.012 176.300 -0.312 0.000 1.001 327 R CA -0.698 55.263 56.100 -0.232 0.000 0.896 327 R CB 1.654 31.883 30.300 -0.118 0.000 1.218 327 R HN 0.235 nan 8.270 nan 0.000 0.462 328 F N 1.880 121.846 119.950 0.026 0.000 2.375 328 F HA 0.582 5.109 4.527 -0.000 0.000 0.361 328 F C 1.182 176.889 175.800 -0.155 0.000 1.117 328 F CA 0.619 58.649 58.000 0.050 0.000 1.037 328 F CB 1.586 40.671 39.000 0.141 0.000 1.192 328 F HN 1.057 nan 8.300 nan 0.000 0.452 329 G N 3.392 112.104 108.800 -0.146 0.000 2.523 329 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.271 329 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.271 329 G C 0.835 175.610 174.900 -0.208 0.000 1.146 329 G CA 0.149 44.901 45.100 -0.579 0.000 0.961 329 G HN 0.447 nan 8.290 nan 0.000 0.549 330 E N -0.009 120.087 120.200 -0.174 0.000 2.476 330 E HA 0.276 4.626 4.350 -0.000 0.000 0.199 330 E C 0.783 177.347 176.600 -0.059 0.000 1.021 330 E CA 0.401 56.748 56.400 -0.088 0.000 0.907 330 E CB 0.803 30.463 29.700 -0.068 0.000 0.974 330 E HN 0.363 nan 8.360 nan 0.000 0.489 331 V N 2.263 122.150 119.914 -0.046 0.000 2.432 331 V HA 0.116 4.236 4.120 -0.000 0.000 0.275 331 V C 0.376 176.464 176.094 -0.010 0.000 1.043 331 V CA -0.593 61.701 62.300 -0.011 0.000 0.925 331 V CB 1.473 33.312 31.823 0.026 0.000 0.985 331 V HN 0.048 nan 8.190 nan 0.000 0.466 332 E N 3.384 123.561 120.200 -0.038 0.000 2.316 332 E HA 0.259 4.609 4.350 -0.000 0.000 0.275 332 E C 0.512 177.074 176.600 -0.064 0.000 1.029 332 E CA -0.276 56.081 56.400 -0.072 0.000 0.871 332 E CB 1.494 31.137 29.700 -0.095 0.000 1.022 332 E HN 0.636 nan 8.360 nan 0.000 0.418 333 V N 2.572 122.431 119.914 -0.091 0.000 3.604 333 V HA 0.306 4.426 4.120 -0.000 0.000 0.277 333 V C -0.328 175.539 176.094 -0.379 0.000 1.399 333 V CA -0.219 62.025 62.300 -0.093 0.000 1.034 333 V CB -0.250 31.663 31.823 0.150 0.000 0.824 333 V HN 0.618 nan 8.190 nan 0.000 0.439 334 Y N 1.389 121.375 120.300 -0.524 0.000 2.396 334 Y HA 0.786 5.336 4.550 -0.000 0.000 0.332 334 Y C -3.187 172.485 175.900 -0.379 0.000 1.034 334 Y CA -2.721 54.972 58.100 -0.678 0.000 1.057 334 Y CB 2.597 40.542 38.460 -0.859 0.000 1.220 334 Y HN -0.017 nan 8.280 nan 0.000 0.440 335 P HA 0.176 nan 4.420 nan 0.000 0.269 335 P C -2.435 174.522 177.300 -0.573 0.000 1.209 335 P CA -0.562 61.852 63.100 -1.143 0.000 0.776 335 P CB 0.307 31.537 31.700 -0.784 0.000 0.876 345 D N 0.398 120.810 120.400 0.019 0.000 2.117 345 D HA 0.324 4.964 4.640 -0.000 0.000 0.198 345 D C 2.367 178.680 176.300 0.022 0.000 0.982 345 D CA 3.310 57.323 54.000 0.021 0.000 0.828 345 D CB -0.733 40.077 40.800 0.017 0.000 0.967 345 D HN 1.189 nan 8.370 nan 0.000 0.464 346 A N -0.403 122.427 122.820 0.017 0.000 2.067 346 A HA 0.197 4.517 4.320 -0.000 0.000 0.219 346 A C 2.322 179.919 177.584 0.021 0.000 1.158 346 A CA 1.064 53.111 52.037 0.017 0.000 0.661 346 A CB -0.300 18.707 19.000 0.012 0.000 0.801 346 A HN 0.521 nan 8.150 nan 0.000 0.452 347 L N -1.515 119.722 121.223 0.023 0.000 2.168 347 L HA -0.069 4.270 4.340 -0.000 0.000 0.203 347 L C 3.284 180.182 176.870 0.047 0.000 1.078 347 L CA 0.906 55.764 54.840 0.029 0.000 0.780 347 L CB -0.622 41.451 42.059 0.023 0.000 0.939 347 L HN 0.468 nan 8.230 nan 0.000 0.451 348 R N 0.672 121.201 120.500 0.050 0.000 2.096 348 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 348 R C 2.243 178.576 176.300 0.054 0.000 1.127 348 R CA 1.590 57.728 56.100 0.064 0.000 0.968 348 R CB -1.529 28.806 30.300 0.059 0.000 0.861 348 R HN 0.484 nan 8.270 nan 0.000 0.440 349 A N 0.688 123.532 122.820 0.041 0.000 1.898 349 A HA 0.300 4.619 4.320 -0.000 0.000 0.216 349 A C 2.837 180.447 177.584 0.042 0.000 1.181 349 A CA 1.711 53.769 52.037 0.034 0.000 0.620 349 A CB -0.840 18.175 19.000 0.025 0.000 0.819 349 A HN 0.929 nan 8.150 nan 0.000 0.442 350 A N -0.398 122.448 122.820 0.044 0.000 1.908 350 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 350 A C 2.239 179.872 177.584 0.080 0.000 1.181 350 A CA 1.999 54.067 52.037 0.050 0.000 0.627 350 A CB -1.013 18.007 19.000 0.033 0.000 0.818 350 A HN 0.410 nan 8.150 nan 0.000 0.445 351 V N -0.259 119.708 119.914 0.088 0.000 2.295 351 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 351 V C 3.058 179.205 176.094 0.088 0.000 1.049 351 V CA 1.933 64.309 62.300 0.126 0.000 1.024 351 V CB -1.272 30.644 31.823 0.154 0.000 0.648 351 V HN 0.627 nan 8.190 nan 0.000 0.447 352 A N -0.686 122.163 122.820 0.049 0.000 1.933 352 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 352 A C 2.196 179.788 177.584 0.013 0.000 1.175 352 A CA 1.660 53.702 52.037 0.009 0.000 0.628 352 A CB -0.386 18.619 19.000 0.008 0.000 0.814 352 A HN 0.496 nan 8.150 nan 0.000 0.444 353 E N -1.141 119.085 120.200 0.043 0.000 2.216 353 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 353 E C 1.715 178.354 176.600 0.065 0.000 0.988 353 E CA 1.100 57.524 56.400 0.040 0.000 0.834 353 E CB -0.335 29.392 29.700 0.046 0.000 0.772 353 E HN 0.861 nan 8.360 nan 0.000 0.479 354 H N 0.258 119.325 119.070 -0.005 0.000 2.357 354 H HA -0.006 4.550 4.556 -0.000 0.000 0.301 354 H C 1.743 177.058 175.328 -0.021 0.000 1.082 354 H CA 1.146 57.197 56.048 0.005 0.000 1.342 354 H CB -0.087 29.697 29.762 0.037 0.000 1.389 354 H HN 0.007 nan 8.280 nan 0.000 0.511 355 L N 0.159 121.327 121.223 -0.091 0.000 2.551 355 L HA 0.030 4.370 4.340 -0.000 0.000 0.228 355 L C 2.057 178.841 176.870 -0.144 0.000 1.153 355 L CA 0.855 55.586 54.840 -0.182 0.000 0.851 355 L CB -0.101 41.837 42.059 -0.200 0.000 0.959 355 L HN 0.211 nan 8.230 nan 0.000 0.451 356 R N -0.880 119.558 120.500 -0.103 0.000 2.254 356 R HA 0.164 4.504 4.340 -0.000 0.000 0.195 356 R C 1.268 177.520 176.300 -0.080 0.000 0.957 356 R CA 0.334 56.385 56.100 -0.080 0.000 1.024 356 R CB 0.012 30.281 30.300 -0.051 0.000 0.952 356 R HN 0.345 nan 8.270 nan 0.000 0.484 357 G N 1.322 110.057 108.800 -0.109 0.000 2.653 357 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.265 357 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.265 357 G C -0.057 174.788 174.900 -0.092 0.000 1.237 357 G CA -0.227 44.816 45.100 -0.095 0.000 0.946 357 G HN 0.220 nan 8.290 nan 0.000 0.522 358 D N -2.203 118.162 120.400 -0.058 0.000 2.363 358 D HA 0.103 4.743 4.640 -0.000 0.000 0.214 358 D C 0.251 176.535 176.300 -0.027 0.000 1.093 358 D CA 0.038 54.018 54.000 -0.034 0.000 0.837 358 D CB 0.508 41.302 40.800 -0.010 0.000 0.948 358 D HN 0.408 nan 8.370 nan 0.000 0.507 359 E N 0.573 120.739 120.200 -0.057 0.000 2.621 359 E HA 0.268 4.618 4.350 -0.000 0.000 0.263 359 E C -1.266 175.282 176.600 -0.087 0.000 1.033 359 E CA -0.558 55.830 56.400 -0.021 0.000 0.778 359 E CB 2.221 31.938 29.700 0.027 0.000 1.426 359 E HN -0.055 nan 8.360 nan 0.000 0.394 360 V N 2.998 122.865 119.914 -0.079 0.000 2.432 360 V HA 0.252 4.372 4.120 -0.000 0.000 0.275 360 V C 0.138 176.344 176.094 0.186 0.000 1.043 360 V CA -0.619 61.628 62.300 -0.088 0.000 0.925 360 V CB 1.533 33.319 31.823 -0.060 0.000 0.985 360 V HN 0.324 nan 8.190 nan 0.000 0.466 361 V N 6.719 126.915 119.914 0.471 0.000 2.384 361 V HA 0.480 4.600 4.120 -0.000 0.000 0.287 361 V C -0.105 176.161 176.094 0.287 0.000 1.020 361 V CA -0.376 62.107 62.300 0.306 0.000 0.850 361 V CB 1.580 33.543 31.823 0.233 0.000 0.987 361 V HN 0.660 nan 8.190 nan 0.000 0.436 362 I N 4.377 125.044 120.570 0.161 0.000 2.354 362 I HA 0.530 4.700 4.170 -0.000 0.000 0.286 362 I C 0.818 176.915 176.117 -0.034 0.000 1.007 362 I CA -0.181 61.157 61.300 0.062 0.000 1.167 362 I CB 1.579 39.625 38.000 0.076 0.000 1.320 362 I HN 0.713 nan 8.210 nan 0.000 0.458 363 G N 7.430 116.177 108.800 -0.088 0.000 2.332 363 G HA2 0.754 4.713 3.960 -0.000 0.000 0.310 363 G HA3 0.754 4.713 3.960 -0.000 0.000 0.310 363 G C -0.713 174.128 174.900 -0.097 0.000 1.123 363 G CA -0.361 44.693 45.100 -0.078 0.000 0.873 363 G HN 0.511 nan 8.290 nan 0.000 0.460 364 I N 1.742 122.273 120.570 -0.065 0.000 2.499 364 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 364 I C -1.302 174.795 176.117 -0.033 0.000 1.048 364 I CA -0.729 60.539 61.300 -0.053 0.000 1.062 364 I CB 2.641 40.615 38.000 -0.044 0.000 1.238 364 I HN 0.346 nan 8.210 nan 0.000 0.426 365 D N 6.792 127.176 120.400 -0.027 0.000 2.481 365 D HA 0.335 4.974 4.640 -0.000 0.000 0.246 365 D C 0.367 176.661 176.300 -0.010 0.000 1.109 365 D CA -0.397 53.591 54.000 -0.020 0.000 0.845 365 D CB 2.054 42.837 40.800 -0.028 0.000 1.160 365 D HN 0.482 nan 8.370 nan 0.000 0.534 366 L N 3.032 124.251 121.223 -0.007 0.000 2.492 366 L HA 0.158 4.498 4.340 -0.000 0.000 0.223 366 L C 1.411 178.279 176.870 -0.003 0.000 1.132 366 L CA 0.326 55.165 54.840 -0.001 0.000 0.850 366 L CB -0.285 41.773 42.059 -0.002 0.000 0.966 366 L HN 0.647 nan 8.230 nan 0.000 0.454 367 A N 0.378 123.193 122.820 -0.009 0.000 2.560 367 A HA -0.225 4.095 4.320 -0.000 0.000 0.299 367 A C 0.948 178.527 177.584 -0.008 0.000 1.484 367 A CA 1.066 53.096 52.037 -0.012 0.000 0.749 367 A CB -1.905 17.085 19.000 -0.016 0.000 1.072 367 A HN 0.512 nan 8.150 nan 0.000 0.426 368 I N -2.490 118.077 120.570 -0.006 0.000 3.570 368 I HA 0.459 4.629 4.170 -0.000 0.000 0.270 368 I C 1.458 177.572 176.117 -0.005 0.000 1.162 368 I CA 0.848 62.145 61.300 -0.005 0.000 1.413 368 I CB 0.193 38.191 38.000 -0.003 0.000 1.437 368 I HN 0.733 nan 8.210 nan 0.000 0.457 369 A N 0.239 123.057 122.820 -0.004 0.000 4.367 369 A HA 0.552 4.872 4.320 -0.000 0.000 0.174 369 A C -0.106 177.476 177.584 -0.003 0.000 0.690 369 A CA 0.585 52.620 52.037 -0.003 0.000 0.856 369 A CB -0.536 18.463 19.000 -0.001 0.000 1.848 369 A HN 0.131 nan 8.150 nan 0.000 0.887 370 D N -0.264 120.136 120.400 -0.000 0.000 2.479 370 D HA 0.474 5.114 4.640 -0.000 0.000 0.218 370 D C 0.740 177.045 176.300 0.008 0.000 1.177 370 D CA 0.557 54.557 54.000 0.001 0.000 0.830 370 D CB 0.117 40.916 40.800 -0.002 0.000 1.014 370 D HN 1.122 nan 8.370 nan 0.000 0.503 371 G N -0.203 108.605 108.800 0.014 0.000 2.398 371 G HA2 0.568 4.528 3.960 -0.000 0.000 0.246 371 G HA3 0.568 4.528 3.960 -0.000 0.000 0.246 371 G C 0.059 174.982 174.900 0.039 0.000 1.289 371 G CA 0.707 45.824 45.100 0.029 0.000 0.869 371 G HN 1.099 nan 8.290 nan 0.000 0.543 372 A N 1.198 124.057 122.820 0.066 0.000 2.549 372 A HA 0.846 5.166 4.320 -0.000 0.000 0.297 372 A C -1.580 176.103 177.584 0.165 0.000 1.061 372 A CA -0.593 51.490 52.037 0.076 0.000 0.690 372 A CB 1.759 20.772 19.000 0.022 0.000 1.287 372 A HN 1.287 nan 8.150 nan 0.000 0.402 373 F N -0.075 119.854 119.950 -0.036 0.000 2.725 373 F HA 0.608 5.135 4.527 -0.000 0.000 0.309 373 F C -0.826 174.934 175.800 -0.067 0.000 1.132 373 F CA 0.116 58.093 58.000 -0.038 0.000 0.957 373 F CB 1.969 40.950 39.000 -0.032 0.000 1.286 373 F HN 0.563 nan 8.300 nan 0.000 0.440 374 T N 4.456 118.925 114.554 -0.142 0.000 2.812 374 T HA 0.661 5.010 4.350 -0.000 0.000 0.282 374 T C -0.886 173.749 174.700 -0.108 0.000 0.990 374 T CA -0.570 61.447 62.100 -0.139 0.000 0.960 374 T CB 1.308 70.011 68.868 -0.275 0.000 0.948 374 T HN 0.631 nan 8.240 nan 0.000 0.438 375 V N 1.224 121.049 119.914 -0.148 0.000 3.096 375 V HA 0.829 4.949 4.120 -0.000 0.000 0.319 375 V C -1.573 174.245 176.094 -0.460 0.000 1.103 375 V CA -1.087 61.150 62.300 -0.105 0.000 1.016 375 V CB 1.279 33.128 31.823 0.043 0.000 1.090 375 V HN 0.801 nan 8.190 nan 0.000 0.449 376 Y N 0.129 120.461 120.300 0.053 0.000 2.512 376 Y HA 0.916 5.465 4.550 -0.000 0.000 0.348 376 Y C 0.623 176.539 175.900 0.027 0.000 0.990 376 Y CA 0.166 58.282 58.100 0.027 0.000 1.033 376 Y CB 2.575 41.034 38.460 -0.003 0.000 1.259 376 Y HN 1.179 nan 8.280 nan 0.000 0.461 377 G N -0.267 108.637 108.800 0.174 0.000 2.650 377 G HA2 0.605 4.565 3.960 -0.000 0.000 0.310 377 G HA3 0.605 4.565 3.960 -0.000 0.000 0.310 377 G C -1.441 173.511 174.900 0.086 0.000 1.270 377 G CA -0.368 44.794 45.100 0.104 0.000 0.810 377 G HN 1.078 nan 8.290 nan 0.000 0.493 378 C N -0.483 118.847 119.300 0.050 0.000 3.291 378 C HA 0.824 5.284 4.460 -0.000 0.000 0.316 378 C C -0.786 174.212 174.990 0.013 0.000 1.391 378 C CA -0.634 58.408 59.018 0.040 0.000 1.394 378 C CB 1.378 29.143 27.740 0.042 0.000 1.744 378 C HN 0.994 nan 8.230 nan 0.000 0.461 379 D N 0.774 121.185 120.400 0.018 0.000 2.360 379 D HA 0.421 5.061 4.640 -0.000 0.000 0.242 379 D C -0.557 175.700 176.300 -0.070 0.000 1.184 379 D CA -0.285 53.717 54.000 0.003 0.000 0.930 379 D CB 0.752 41.594 40.800 0.070 0.000 1.161 379 D HN 0.691 nan 8.370 nan 0.000 0.447 380 L N 0.861 122.013 121.223 -0.119 0.000 2.275 380 L HA 0.477 4.817 4.340 -0.000 0.000 0.288 380 L C -0.021 176.648 176.870 -0.334 0.000 1.046 380 L CA 0.118 54.840 54.840 -0.196 0.000 0.805 380 L CB 1.035 42.988 42.059 -0.178 0.000 1.193 380 L HN 0.777 nan 8.230 nan 0.000 0.426 381 T N -0.183 114.191 114.554 -0.300 0.000 2.831 381 T HA 0.445 4.795 4.350 -0.000 0.000 0.287 381 T C 0.631 175.249 174.700 -0.137 0.000 1.070 381 T CA -0.536 61.301 62.100 -0.439 0.000 1.010 381 T CB 1.005 69.633 68.868 -0.400 0.000 1.264 381 T HN 0.628 nan 8.240 nan 0.000 0.532 382 E N 0.073 120.218 120.200 -0.092 0.000 2.204 382 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 382 E C 2.169 178.780 176.600 0.017 0.000 0.989 382 E CA 0.849 57.247 56.400 -0.004 0.000 0.824 382 E CB -0.545 29.167 29.700 0.019 0.000 0.756 382 E HN 0.848 nan 8.360 nan 0.000 0.477 383 G N 0.593 109.400 108.800 0.011 0.000 2.442 383 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.219 383 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.219 383 G C 1.344 176.258 174.900 0.023 0.000 1.141 383 G CA 0.735 45.845 45.100 0.017 0.000 0.763 383 G HN 0.286 nan 8.290 nan 0.000 0.554 384 Y N 1.080 121.349 120.300 -0.052 0.000 2.163 384 Y HA -0.095 4.455 4.550 -0.000 0.000 0.288 384 Y C 2.850 178.731 175.900 -0.032 0.000 1.136 384 Y CA 1.589 59.664 58.100 -0.041 0.000 1.147 384 Y CB -0.178 38.251 38.460 -0.051 0.000 0.987 384 Y HN 0.040 nan 8.280 nan 0.000 0.509 385 V N 0.237 120.247 119.914 0.159 0.000 2.427 385 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 385 V C 2.341 178.429 176.094 -0.010 0.000 1.051 385 V CA 2.122 64.473 62.300 0.086 0.000 1.048 385 V CB -0.631 31.240 31.823 0.081 0.000 0.666 385 V HN 0.244 nan 8.190 nan 0.000 0.456 386 R N -0.220 120.271 120.500 -0.016 0.000 2.070 386 R HA -0.053 4.287 4.340 -0.000 0.000 0.233 386 R C 2.266 178.529 176.300 -0.062 0.000 1.137 386 R CA 1.519 57.601 56.100 -0.029 0.000 0.945 386 R CB -0.464 29.827 30.300 -0.016 0.000 0.845 386 R HN 0.407 nan 8.270 nan 0.000 0.430 387 L N 0.482 121.645 121.223 -0.100 0.000 2.017 387 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 387 L C 1.542 178.318 176.870 -0.156 0.000 1.073 387 L CA 1.121 55.885 54.840 -0.127 0.000 0.745 387 L CB -0.393 41.571 42.059 -0.159 0.000 0.894 387 L HN 0.270 nan 8.230 nan 0.000 0.432 388 N N -0.268 118.293 118.700 -0.232 0.000 2.467 388 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 388 N C 1.773 177.221 175.510 -0.102 0.000 1.106 388 N CA 1.061 53.986 53.050 -0.208 0.000 0.892 388 N CB 0.235 38.511 38.487 -0.352 0.000 0.969 388 N HN 0.363 nan 8.380 nan 0.000 0.454 389 S N 0.211 115.868 115.700 -0.072 0.000 2.524 389 S HA 0.181 4.650 4.470 -0.000 0.000 0.216 389 S C 1.058 175.637 174.600 -0.035 0.000 0.987 389 S CA 0.403 58.581 58.200 -0.037 0.000 0.909 389 S CB 0.001 63.189 63.200 -0.020 0.000 0.781 389 S HN 0.426 nan 8.310 nan 0.000 0.521 390 E N 0.000 120.172 120.200 -0.046 0.000 2.725 390 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 390 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 390 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 390 E HN 0.000 nan 8.360 nan 0.000 0.440