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 3ez3_1_D DATA FIRST_RESID 37 DATA SEQUENCE FRNMYDKYRD AFLSHLNEYS LEEEIKEHIS KYYKLLFDYN CLGGKNNRGI DATA SEQUENCE LVILIYEYVK XXXXNSSEWE KAACLAWCIE ILQAAFLVAD DIMDKGEMRR DATA SEQUENCE NKYCWYLLKD VETKNAVNDV LLLYNSIYKL IEIYLRNESC YVDVIATFRD DATA SEQUENCE ATLKTIIGQH LDTNIFSDKY SXXHREIDVN NINVPEQPVI DINMINFGVY DATA SEQUENCE KNIVIHKTAY YSFFLPIVCG MLLAGIXXDN LIYKKIEDIS MLMGEYFQIH DATA SEQUENCE DDYLDIFGDS TKTGKVGSDI QNNKLTWPLI KTFELCSEPD KIKIVKNYGK DATA SEQUENCE NNLACVKVID SLYEQYKIRK HYESYEKAQK AKILSAINEL XHEGIEYVLK DATA SEQUENCE YLLEILFTGV 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 37 F HA 0.000 nan 4.527 nan 0.000 0.279 37 F C 0.000 176.048 175.800 0.413 0.000 0.967 37 F CA 0.000 58.099 58.000 0.165 0.000 1.383 37 F CB 0.000 39.008 39.000 0.012 0.000 1.145 38 R N 0.982 121.624 120.500 0.237 0.000 2.105 38 R HA -0.106 4.232 4.340 -0.004 0.000 0.239 38 R C 1.282 177.680 176.300 0.164 0.000 1.135 38 R CA 1.773 58.016 56.100 0.238 0.000 0.967 38 R CB -0.579 29.863 30.300 0.237 0.000 0.861 38 R HN 0.310 nan 8.270 nan 0.000 0.442 39 N N 0.146 118.919 118.700 0.121 0.000 2.289 39 N HA -0.094 4.644 4.740 -0.004 0.000 0.184 39 N C 1.417 176.936 175.510 0.015 0.000 1.016 39 N CA 1.084 54.170 53.050 0.059 0.000 0.872 39 N CB 0.025 38.545 38.487 0.055 0.000 0.973 39 N HN 0.186 nan 8.380 nan 0.000 0.433 40 M N -0.837 118.801 119.600 0.063 0.000 2.595 40 M HA -0.007 4.470 4.480 -0.004 0.000 0.248 40 M C 1.479 177.656 176.300 -0.204 0.000 1.119 40 M CA 0.186 55.487 55.300 0.002 0.000 1.079 40 M CB -0.756 32.011 32.600 0.278 0.000 1.472 40 M HN 0.127 nan 8.290 nan 0.000 0.501 41 Y N 2.501 122.510 120.300 -0.486 0.000 2.081 41 Y HA -0.302 4.246 4.550 -0.004 0.000 0.280 41 Y C 1.681 177.193 175.900 -0.647 0.000 1.163 41 Y CA 2.173 59.599 58.100 -1.123 0.000 1.135 41 Y CB -0.426 37.286 38.460 -1.247 0.000 0.970 41 Y HN 0.220 nan 8.280 nan 0.000 0.498 42 D N 0.435 120.453 120.400 -0.636 0.000 2.133 42 D HA -0.236 4.402 4.640 -0.004 0.000 0.195 42 D C 2.164 178.135 176.300 -0.547 0.000 0.997 42 D CA 1.798 55.460 54.000 -0.565 0.000 0.840 42 D CB -0.454 40.194 40.800 -0.252 0.000 0.947 42 D HN 0.448 nan 8.370 nan 0.000 0.452 43 K N -0.165 119.917 120.400 -0.529 0.000 2.020 43 K HA -0.222 4.096 4.320 -0.004 0.000 0.212 43 K C 2.118 178.370 176.600 -0.581 0.000 1.050 43 K CA 1.360 57.308 56.287 -0.565 0.000 0.929 43 K CB -0.289 31.758 32.500 -0.756 0.000 0.714 43 K HN 0.193 nan 8.250 nan 0.000 0.443 44 Y N 0.578 120.647 120.300 -0.385 0.000 2.263 44 Y HA -0.073 4.474 4.550 -0.004 0.000 0.292 44 Y C 2.647 178.327 175.900 -0.366 0.000 1.130 44 Y CA 1.396 59.313 58.100 -0.305 0.000 1.179 44 Y CB -0.472 37.802 38.460 -0.310 0.000 0.998 44 Y HN 0.137 nan 8.280 nan 0.000 0.532 45 R N 0.624 120.803 120.500 -0.535 0.000 2.070 45 R HA -0.174 4.164 4.340 -0.004 0.000 0.233 45 R C 1.372 177.438 176.300 -0.390 0.000 1.137 45 R CA 2.122 57.840 56.100 -0.637 0.000 0.945 45 R CB -0.343 29.427 30.300 -0.883 0.000 0.845 45 R HN 0.243 nan 8.270 nan 0.000 0.430 46 D N 0.359 120.560 120.400 -0.330 0.000 2.178 46 D HA -0.087 4.550 4.640 -0.004 0.000 0.202 46 D C 1.718 177.930 176.300 -0.146 0.000 0.974 46 D CA 1.266 55.140 54.000 -0.211 0.000 0.841 46 D CB -0.197 40.486 40.800 -0.195 0.000 0.953 46 D HN 0.391 nan 8.370 nan 0.000 0.478 47 A N 0.395 123.151 122.820 -0.107 0.000 1.908 47 A HA -0.196 4.122 4.320 -0.004 0.000 0.218 47 A C 2.081 179.659 177.584 -0.010 0.000 1.181 47 A CA 1.069 53.094 52.037 -0.022 0.000 0.627 47 A CB -0.929 18.146 19.000 0.126 0.000 0.818 47 A HN 0.269 nan 8.150 nan 0.000 0.445 48 F N -0.271 119.586 119.950 -0.155 0.000 2.206 48 F HA -0.022 4.502 4.527 -0.004 0.000 0.298 48 F C 1.757 177.476 175.800 -0.136 0.000 1.090 48 F CA 1.053 58.961 58.000 -0.153 0.000 1.323 48 F CB -0.178 38.660 39.000 -0.270 0.000 1.028 48 F HN 0.127 nan 8.300 nan 0.000 0.492 49 L N -0.080 121.003 121.223 -0.234 0.000 2.083 49 L HA -0.174 4.163 4.340 -0.004 0.000 0.209 49 L C 2.577 179.285 176.870 -0.269 0.000 1.083 49 L CA 1.647 56.344 54.840 -0.239 0.000 0.752 49 L CB -1.401 40.588 42.059 -0.117 0.000 0.899 49 L HN 0.072 nan 8.230 nan 0.000 0.433 50 S N -1.734 113.840 115.700 -0.209 0.000 2.382 50 S HA -0.269 4.198 4.470 -0.004 0.000 0.228 50 S C 1.948 176.414 174.600 -0.225 0.000 1.027 50 S CA 1.331 59.422 58.200 -0.182 0.000 0.991 50 S CB -0.485 62.642 63.200 -0.121 0.000 0.823 50 S HN 0.625 nan 8.310 nan 0.000 0.469 51 H N 1.733 120.583 119.070 -0.366 0.000 2.319 51 H HA -0.051 4.503 4.556 -0.004 0.000 0.297 51 H C 1.714 176.700 175.328 -0.571 0.000 1.097 51 H CA 1.766 57.572 56.048 -0.403 0.000 1.285 51 H CB -0.421 29.053 29.762 -0.480 0.000 1.368 51 H HN 0.312 nan 8.280 nan 0.000 0.495 52 L N -0.502 120.183 121.223 -0.897 0.000 2.217 52 L HA -0.076 4.262 4.340 -0.004 0.000 0.211 52 L C 2.080 178.510 176.870 -0.734 0.000 1.107 52 L CA 1.114 55.249 54.840 -1.175 0.000 0.783 52 L CB -0.357 41.221 42.059 -0.801 0.000 0.919 52 L HN 0.297 nan 8.230 nan 0.000 0.442 53 N N 0.314 118.763 118.700 -0.419 0.000 2.459 53 N HA -0.143 4.594 4.740 -0.004 0.000 0.181 53 N C 1.583 176.992 175.510 -0.168 0.000 1.046 53 N CA 0.621 53.534 53.050 -0.228 0.000 0.904 53 N CB 0.146 38.541 38.487 -0.153 0.000 0.964 53 N HN 0.291 nan 8.380 nan 0.000 0.444 54 E N -1.045 119.032 120.200 -0.205 0.000 2.347 54 E HA -0.090 4.257 4.350 -0.004 0.000 0.196 54 E C -0.255 176.381 176.600 0.059 0.000 1.008 54 E CA 0.225 56.577 56.400 -0.081 0.000 0.852 54 E CB 0.093 29.742 29.700 -0.085 0.000 0.783 54 E HN 0.331 nan 8.360 nan 0.000 0.505 55 Y N 0.915 121.105 120.300 -0.183 0.000 2.578 55 Y HA 0.010 4.558 4.550 -0.005 0.000 0.339 55 Y C 0.890 176.743 175.900 -0.078 0.000 1.231 55 Y CA -0.993 57.027 58.100 -0.133 0.000 1.461 55 Y CB 0.502 38.886 38.460 -0.127 0.000 1.323 55 Y HN -0.247 nan 8.280 nan 0.000 0.590 56 S N 3.824 119.573 115.700 0.082 0.000 3.517 56 S HA 0.277 4.745 4.470 -0.004 0.000 0.284 56 S C -0.479 174.148 174.600 0.045 0.000 1.260 56 S CA -0.172 58.048 58.200 0.033 0.000 0.975 56 S CB -0.867 62.329 63.200 -0.006 0.000 1.540 56 S HN 0.251 nan 8.310 nan 0.000 0.506 57 L N 2.057 123.312 121.223 0.053 0.000 2.371 57 L HA 0.454 4.791 4.340 -0.004 0.000 0.262 57 L C 0.269 177.158 176.870 0.031 0.000 1.006 57 L CA -0.687 54.185 54.840 0.054 0.000 0.818 57 L CB 1.644 43.752 42.059 0.082 0.000 1.354 57 L HN 0.382 nan 8.230 nan 0.000 0.415 58 E N 0.702 120.919 120.200 0.029 0.000 2.398 58 E HA -0.022 4.326 4.350 -0.004 0.000 0.263 58 E C 0.113 176.718 176.600 0.008 0.000 1.046 58 E CA -0.069 56.341 56.400 0.017 0.000 0.908 58 E CB 0.995 30.707 29.700 0.020 0.000 0.963 58 E HN 0.429 nan 8.360 nan 0.000 0.431 59 E N 2.240 122.436 120.200 -0.006 0.000 2.058 59 E HA -0.263 4.085 4.350 -0.004 0.000 0.194 59 E C 2.220 178.793 176.600 -0.045 0.000 0.997 59 E CA 2.150 58.536 56.400 -0.022 0.000 0.801 59 E CB -0.254 29.431 29.700 -0.025 0.000 0.746 59 E HN 0.660 nan 8.360 nan 0.000 0.450 60 E N 0.343 120.512 120.200 -0.052 0.000 2.118 60 E HA -0.152 4.195 4.350 -0.004 0.000 0.195 60 E C 2.120 178.639 176.600 -0.136 0.000 0.992 60 E CA 1.596 57.925 56.400 -0.119 0.000 0.804 60 E CB -0.859 28.797 29.700 -0.074 0.000 0.741 60 E HN 0.444 nan 8.360 nan 0.000 0.458 61 I N -0.002 120.572 120.570 0.006 0.000 2.353 61 I HA -0.195 3.973 4.170 -0.004 0.000 0.248 61 I C 2.591 178.753 176.117 0.075 0.000 1.119 61 I CA 1.384 62.740 61.300 0.095 0.000 1.417 61 I CB -0.087 37.972 38.000 0.098 0.000 1.078 61 I HN 0.187 nan 8.210 nan 0.000 0.421 62 K N 0.874 121.290 120.400 0.026 0.000 2.097 62 K HA -0.192 4.126 4.320 -0.004 0.000 0.206 62 K C 1.941 178.546 176.600 0.008 0.000 1.049 62 K CA 1.424 57.721 56.287 0.016 0.000 0.933 62 K CB -0.145 32.346 32.500 -0.014 0.000 0.717 62 K HN 0.385 nan 8.250 nan 0.000 0.442 63 E N -0.083 120.085 120.200 -0.053 0.000 2.051 63 E HA -0.185 4.163 4.350 -0.004 0.000 0.192 63 E C 2.080 178.665 176.600 -0.026 0.000 0.991 63 E CA 1.047 57.397 56.400 -0.084 0.000 0.799 63 E CB -0.081 29.509 29.700 -0.184 0.000 0.748 63 E HN 0.373 nan 8.360 nan 0.000 0.449 64 H N 0.541 119.645 119.070 0.057 0.000 2.270 64 H HA -0.106 4.449 4.556 -0.003 0.000 0.299 64 H C 2.305 177.696 175.328 0.106 0.000 1.077 64 H CA 0.949 57.038 56.048 0.068 0.000 1.294 64 H CB -0.373 29.414 29.762 0.041 0.000 1.371 64 H HN 0.107 nan 8.280 nan 0.000 0.491 65 I N 1.091 121.814 120.570 0.254 0.000 2.147 65 I HA -0.330 3.838 4.170 -0.004 0.000 0.245 65 I C 2.733 179.064 176.117 0.357 0.000 1.059 65 I CA 1.997 63.472 61.300 0.291 0.000 1.320 65 I CB -1.413 36.738 38.000 0.251 0.000 1.021 65 I HN 0.300 nan 8.210 nan 0.000 0.415 66 S N 0.236 116.074 115.700 0.229 0.000 2.406 66 S HA -0.195 4.273 4.470 -0.004 0.000 0.228 66 S C 2.059 176.780 174.600 0.202 0.000 1.020 66 S CA 1.104 59.423 58.200 0.198 0.000 0.965 66 S CB -0.314 62.937 63.200 0.084 0.000 0.798 66 S HN 0.526 nan 8.310 nan 0.000 0.488 67 K N 0.053 120.563 120.400 0.184 0.000 2.026 67 K HA -0.202 4.116 4.320 -0.004 0.000 0.208 67 K C 2.151 178.864 176.600 0.189 0.000 1.048 67 K CA 1.545 57.935 56.287 0.172 0.000 0.929 67 K CB -0.594 32.009 32.500 0.172 0.000 0.713 67 K HN 0.454 nan 8.250 nan 0.000 0.439 68 Y N 0.138 120.481 120.300 0.072 0.000 2.145 68 Y HA -0.253 4.293 4.550 -0.006 0.000 0.286 68 Y C 1.715 177.628 175.900 0.022 0.000 1.145 68 Y CA 1.849 59.939 58.100 -0.016 0.000 1.148 68 Y CB -0.189 38.134 38.460 -0.227 0.000 0.981 68 Y HN 0.122 nan 8.280 nan 0.000 0.507 69 Y N 0.290 120.819 120.300 0.382 0.000 2.286 69 Y HA -0.091 4.456 4.550 -0.003 0.000 0.293 69 Y C 2.523 178.647 175.900 0.373 0.000 1.124 69 Y CA 1.487 59.824 58.100 0.395 0.000 1.178 69 Y CB -0.644 38.099 38.460 0.473 0.000 1.010 69 Y HN 0.071 nan 8.280 nan 0.000 0.536 70 K N 0.257 120.884 120.400 0.379 0.000 2.032 70 K HA -0.233 4.085 4.320 -0.004 0.000 0.209 70 K C 2.051 178.788 176.600 0.229 0.000 1.048 70 K CA 1.591 58.039 56.287 0.268 0.000 0.927 70 K CB -0.536 32.060 32.500 0.161 0.000 0.712 70 K HN 0.206 nan 8.250 nan 0.000 0.441 71 L N 1.475 122.783 121.223 0.140 0.000 1.955 71 L HA -0.184 4.154 4.340 -0.004 0.000 0.213 71 L C 2.234 179.072 176.870 -0.054 0.000 1.072 71 L CA 1.650 56.543 54.840 0.089 0.000 0.755 71 L CB -1.011 41.100 42.059 0.086 0.000 0.888 71 L HN 0.385 nan 8.230 nan 0.000 0.432 72 L N -0.986 120.066 121.223 -0.286 0.000 2.082 72 L HA -0.330 4.008 4.340 -0.004 0.000 0.223 72 L C 2.249 178.844 176.870 -0.458 0.000 1.086 72 L CA 2.228 56.638 54.840 -0.716 0.000 0.793 72 L CB -0.853 40.993 42.059 -0.355 0.000 0.896 72 L HN 0.295 nan 8.230 nan 0.000 0.441 73 F N -0.422 119.492 119.950 -0.060 0.000 2.098 73 F HA -0.141 4.385 4.527 -0.002 0.000 0.294 73 F C 2.344 178.194 175.800 0.085 0.000 1.107 73 F CA 1.585 59.614 58.000 0.049 0.000 1.234 73 F CB -0.641 38.438 39.000 0.132 0.000 1.002 73 F HN 0.121 nan 8.300 nan 0.000 0.472 74 D N -0.988 119.585 120.400 0.287 0.000 2.104 74 D HA -0.244 4.393 4.640 -0.004 0.000 0.194 74 D C 1.985 178.316 176.300 0.052 0.000 0.994 74 D CA 1.374 55.469 54.000 0.159 0.000 0.830 74 D CB -0.738 40.162 40.800 0.167 0.000 0.959 74 D HN 0.287 nan 8.370 nan 0.000 0.452 75 Y N 0.947 121.201 120.300 -0.076 0.000 2.293 75 Y HA -0.088 4.460 4.550 -0.004 0.000 0.291 75 Y C 1.693 177.531 175.900 -0.104 0.000 1.137 75 Y CA 1.263 59.315 58.100 -0.081 0.000 1.202 75 Y CB 0.264 38.666 38.460 -0.096 0.000 0.990 75 Y HN -0.036 nan 8.280 nan 0.000 0.537 76 N N -2.407 116.274 118.700 -0.032 0.000 2.332 76 N HA 0.009 4.746 4.740 -0.004 0.000 0.190 76 N C 1.162 176.675 175.510 0.005 0.000 1.117 76 N CA 0.789 53.810 53.050 -0.048 0.000 0.883 76 N CB 0.032 38.405 38.487 -0.190 0.000 1.089 76 N HN 0.280 nan 8.380 nan 0.000 0.480 77 C N 0.882 120.208 119.300 0.044 0.000 2.590 77 C HA 0.356 4.813 4.460 -0.004 0.000 0.272 77 C C 1.155 176.209 174.990 0.108 0.000 1.338 77 C CA -0.299 58.814 59.018 0.158 0.000 1.746 77 C CB -0.582 27.339 27.740 0.302 0.000 2.020 77 C HN 0.169 nan 8.230 nan 0.000 0.531 78 L N 0.266 121.465 121.223 -0.040 0.000 2.334 78 L HA 0.665 5.002 4.340 -0.004 0.000 0.272 78 L C 1.162 178.007 176.870 -0.041 0.000 1.020 78 L CA 0.587 55.382 54.840 -0.075 0.000 0.812 78 L CB 1.074 42.997 42.059 -0.226 0.000 1.264 78 L HN 0.343 nan 8.230 nan 0.000 0.439 79 G N 0.994 109.791 108.800 -0.005 0.000 2.218 79 G HA2 -0.171 3.787 3.960 -0.004 0.000 0.216 79 G HA3 -0.171 3.787 3.960 -0.004 0.000 0.216 79 G C 0.380 175.299 174.900 0.032 0.000 0.994 79 G CA -0.261 44.836 45.100 -0.005 0.000 0.637 79 G HN 1.005 nan 8.290 nan 0.000 0.505 80 G N -0.400 108.438 108.800 0.064 0.000 2.525 80 G HA2 0.528 4.485 3.960 -0.004 0.000 0.287 80 G HA3 0.528 4.485 3.960 -0.004 0.000 0.287 80 G C 0.820 175.765 174.900 0.075 0.000 1.350 80 G CA 0.303 45.450 45.100 0.079 0.000 1.039 80 G HN 0.270 nan 8.290 nan 0.000 0.513 81 K N -0.477 119.966 120.400 0.071 0.000 2.365 81 K HA 0.014 4.332 4.320 -0.004 0.000 0.197 81 K C 0.380 176.983 176.600 0.005 0.000 1.042 81 K CA 0.615 56.930 56.287 0.046 0.000 0.987 81 K CB -0.080 32.452 32.500 0.054 0.000 0.779 81 K HN 0.608 nan 8.250 nan 0.000 0.484 82 N N 1.185 119.884 118.700 -0.002 0.000 2.727 82 N HA -0.201 4.537 4.740 -0.004 0.000 0.249 82 N C 0.127 175.505 175.510 -0.220 0.000 1.048 82 N CA 0.178 53.178 53.050 -0.083 0.000 0.714 82 N CB -0.862 37.624 38.487 -0.001 0.000 0.959 82 N HN 0.225 nan 8.380 nan 0.000 0.544 83 N N 0.605 119.191 118.700 -0.190 0.000 2.084 83 N HA -0.063 4.675 4.740 -0.004 0.000 0.190 83 N C 1.686 176.995 175.510 -0.334 0.000 1.030 83 N CA 1.273 54.164 53.050 -0.264 0.000 0.849 83 N CB -0.040 38.268 38.487 -0.299 0.000 1.012 83 N HN 0.487 nan 8.380 nan 0.000 0.423 84 R N 0.085 120.385 120.500 -0.333 0.000 2.073 84 R HA -0.033 4.305 4.340 -0.004 0.000 0.234 84 R C 2.357 178.471 176.300 -0.309 0.000 1.134 84 R CA 1.375 57.282 56.100 -0.322 0.000 0.952 84 R CB -0.764 29.391 30.300 -0.240 0.000 0.850 84 R HN 0.235 nan 8.270 nan 0.000 0.433 85 G N 1.905 110.478 108.800 -0.378 0.000 2.491 85 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.218 85 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.218 85 G C 1.333 175.706 174.900 -0.878 0.000 1.180 85 G CA 0.801 45.505 45.100 -0.660 0.000 0.774 85 G HN 0.073 nan 8.290 nan 0.000 0.562 86 I N 0.656 120.719 120.570 -0.844 0.000 2.264 86 I HA -0.103 4.065 4.170 -0.004 0.000 0.248 86 I C 2.621 178.574 176.117 -0.273 0.000 1.111 86 I CA 0.637 61.600 61.300 -0.562 0.000 1.382 86 I CB -1.330 36.468 38.000 -0.338 0.000 1.060 86 I HN 0.138 nan 8.210 nan 0.000 0.418 87 L N 0.510 121.587 121.223 -0.243 0.000 2.093 87 L HA -0.105 4.233 4.340 -0.004 0.000 0.208 87 L C 2.510 179.336 176.870 -0.073 0.000 1.085 87 L CA 1.465 56.227 54.840 -0.131 0.000 0.755 87 L CB -0.595 41.359 42.059 -0.175 0.000 0.904 87 L HN -0.025 nan 8.230 nan 0.000 0.435 88 V N -0.151 119.696 119.914 -0.112 0.000 2.255 88 V HA -0.335 3.783 4.120 -0.004 0.000 0.247 88 V C 2.532 178.672 176.094 0.077 0.000 1.051 88 V CA 1.937 64.216 62.300 -0.035 0.000 1.018 88 V CB -0.654 31.133 31.823 -0.061 0.000 0.641 88 V HN 0.342 nan 8.190 nan 0.000 0.445 89 I N -0.305 120.306 120.570 0.068 0.000 2.127 89 I HA -0.255 3.913 4.170 -0.004 0.000 0.241 89 I C 2.422 178.750 176.117 0.352 0.000 1.075 89 I CA 1.965 63.424 61.300 0.265 0.000 1.334 89 I CB -1.190 36.874 38.000 0.108 0.000 1.040 89 I HN 0.280 nan 8.210 nan 0.000 0.405 90 L N -0.064 121.292 121.223 0.221 0.000 2.046 90 L HA -0.207 4.131 4.340 -0.004 0.000 0.208 90 L C 2.612 179.692 176.870 0.350 0.000 1.077 90 L CA 0.974 56.004 54.840 0.316 0.000 0.747 90 L CB -0.473 41.730 42.059 0.239 0.000 0.896 90 L HN 0.166 nan 8.230 nan 0.000 0.432 91 I N -0.821 119.879 120.570 0.216 0.000 2.226 91 I HA -0.339 3.828 4.170 -0.004 0.000 0.245 91 I C 2.567 178.789 176.117 0.175 0.000 1.100 91 I CA 1.780 63.179 61.300 0.164 0.000 1.374 91 I CB -0.880 37.162 38.000 0.070 0.000 1.057 91 I HN 0.274 nan 8.210 nan 0.000 0.413 92 Y N 1.842 122.183 120.300 0.069 0.000 2.145 92 Y HA -0.283 4.265 4.550 -0.004 0.000 0.286 92 Y C 2.707 178.591 175.900 -0.027 0.000 1.145 92 Y CA 2.253 60.348 58.100 -0.009 0.000 1.148 92 Y CB -0.353 38.072 38.460 -0.058 0.000 0.981 92 Y HN 0.224 nan 8.280 nan 0.000 0.507 93 E N -0.945 119.330 120.200 0.125 0.000 2.038 93 E HA -0.281 4.067 4.350 -0.004 0.000 0.195 93 E C 1.548 178.001 176.600 -0.246 0.000 1.000 93 E CA 1.955 58.339 56.400 -0.026 0.000 0.803 93 E CB -0.464 29.320 29.700 0.140 0.000 0.750 93 E HN 0.652 nan 8.360 nan 0.000 0.448 94 Y N -0.897 119.413 120.300 0.018 0.000 2.490 94 Y HA 0.037 4.585 4.550 -0.004 0.000 0.281 94 Y C 1.623 177.540 175.900 0.027 0.000 1.174 94 Y CA -0.182 57.922 58.100 0.006 0.000 1.295 94 Y CB 0.636 39.119 38.460 0.038 0.000 1.062 94 Y HN -0.004 nan 8.280 nan 0.000 0.522 95 V N -0.792 119.152 119.914 0.051 0.000 2.599 95 V HA -0.063 4.055 4.120 -0.004 0.000 0.245 95 V C 1.362 177.403 176.094 -0.088 0.000 1.046 95 V CA 0.896 63.212 62.300 0.027 0.000 1.065 95 V CB -0.048 31.746 31.823 -0.048 0.000 0.703 95 V HN 0.117 nan 8.190 nan 0.000 0.464 102 S N 1.914 117.770 115.700 0.260 0.000 2.399 102 S HA -0.085 4.383 4.470 -0.004 0.000 0.231 102 S C 1.436 176.168 174.600 0.219 0.000 1.022 102 S CA 1.814 60.189 58.200 0.292 0.000 0.983 102 S CB -0.148 63.163 63.200 0.186 0.000 0.803 102 S HN 0.459 nan 8.310 nan 0.000 0.480 103 S N 1.527 117.308 115.700 0.135 0.000 2.402 103 S HA -0.011 4.457 4.470 -0.004 0.000 0.229 103 S C 1.838 176.482 174.600 0.072 0.000 1.021 103 S CA 1.196 59.457 58.200 0.102 0.000 0.974 103 S CB -0.348 62.895 63.200 0.072 0.000 0.800 103 S HN 0.689 nan 8.310 nan 0.000 0.484 104 E N -0.159 120.052 120.200 0.020 0.000 2.106 104 E HA -0.116 4.232 4.350 -0.004 0.000 0.192 104 E C 1.617 178.106 176.600 -0.185 0.000 0.984 104 E CA 0.945 57.289 56.400 -0.092 0.000 0.806 104 E CB -0.099 29.532 29.700 -0.116 0.000 0.750 104 E HN 0.627 nan 8.360 nan 0.000 0.458 105 W N 1.301 122.639 121.300 0.062 0.000 2.402 105 W HA -0.102 4.555 4.660 -0.004 0.000 0.286 105 W C 2.200 178.741 176.519 0.037 0.000 1.221 105 W CA 0.531 57.902 57.345 0.044 0.000 1.257 105 W CB 0.079 29.593 29.460 0.090 0.000 1.120 105 W HN 0.132 nan 8.180 nan 0.000 0.551 106 E N 0.958 121.309 120.200 0.251 0.000 2.267 106 E HA -0.230 4.118 4.350 -0.004 0.000 0.197 106 E C 1.645 178.307 176.600 0.103 0.000 0.998 106 E CA 1.196 57.713 56.400 0.196 0.000 0.830 106 E CB 0.031 29.827 29.700 0.161 0.000 0.751 106 E HN 0.307 nan 8.360 nan 0.000 0.491 107 K N -0.684 119.731 120.400 0.024 0.000 2.202 107 K HA 0.130 4.447 4.320 -0.004 0.000 0.201 107 K C 2.021 178.535 176.600 -0.143 0.000 1.051 107 K CA 0.589 56.847 56.287 -0.049 0.000 0.977 107 K CB 0.238 32.708 32.500 -0.050 0.000 0.792 107 K HN 0.039 nan 8.250 nan 0.000 0.469 108 A N 1.613 124.297 122.820 -0.226 0.000 1.897 108 A HA -0.013 4.305 4.320 -0.004 0.000 0.215 108 A C 2.354 179.928 177.584 -0.016 0.000 1.181 108 A CA 1.612 53.504 52.037 -0.242 0.000 0.620 108 A CB -0.591 18.136 19.000 -0.455 0.000 0.821 108 A HN 0.272 nan 8.150 nan 0.000 0.443 109 A N -0.961 121.929 122.820 0.117 0.000 1.972 109 A HA -0.195 4.122 4.320 -0.004 0.000 0.219 109 A C 2.350 179.797 177.584 -0.228 0.000 1.169 109 A CA 1.648 53.788 52.037 0.171 0.000 0.635 109 A CB -1.410 17.833 19.000 0.404 0.000 0.810 109 A HN 0.797 nan 8.150 nan 0.000 0.446 110 C N -0.301 118.678 119.300 -0.536 0.000 2.413 110 C HA -0.092 4.366 4.460 -0.004 0.000 0.278 110 C C 2.587 177.379 174.990 -0.330 0.000 1.224 110 C CA 1.342 59.841 59.018 -0.865 0.000 1.732 110 C CB -1.506 25.906 27.740 -0.546 0.000 2.050 110 C HN 0.593 nan 8.230 nan 0.000 0.463 111 L N 1.140 122.286 121.223 -0.130 0.000 2.131 111 L HA -0.075 4.262 4.340 -0.004 0.000 0.210 111 L C 3.022 179.943 176.870 0.085 0.000 1.092 111 L CA 1.538 56.403 54.840 0.041 0.000 0.759 111 L CB -0.877 41.233 42.059 0.084 0.000 0.903 111 L HN 0.511 nan 8.230 nan 0.000 0.435 112 A N -0.364 122.470 122.820 0.022 0.000 1.877 112 A HA -0.226 4.091 4.320 -0.004 0.000 0.216 112 A C 1.928 179.550 177.584 0.064 0.000 1.186 112 A CA 1.447 53.496 52.037 0.020 0.000 0.620 112 A CB -0.950 18.074 19.000 0.040 0.000 0.822 112 A HN 0.507 nan 8.150 nan 0.000 0.443 113 W N -0.823 120.563 121.300 0.143 0.000 2.425 113 W HA -0.115 4.542 4.660 -0.005 0.000 0.277 113 W C 2.475 179.034 176.519 0.068 0.000 1.231 113 W CA 0.706 58.108 57.345 0.096 0.000 1.248 113 W CB -0.455 28.965 29.460 -0.067 0.000 1.117 113 W HN 0.349 nan 8.180 nan 0.000 0.568 114 C N -0.113 119.300 119.300 0.188 0.000 2.422 114 C HA -0.176 4.282 4.460 -0.004 0.000 0.279 114 C C 2.426 177.570 174.990 0.257 0.000 1.305 114 C CA 0.719 59.803 59.018 0.108 0.000 1.757 114 C CB -1.327 26.353 27.740 -0.100 0.000 1.962 114 C HN 0.305 nan 8.230 nan 0.000 0.499 115 I N 0.277 121.022 120.570 0.290 0.000 2.584 115 I HA -0.072 4.096 4.170 -0.004 0.000 0.255 115 I C 2.452 178.701 176.117 0.220 0.000 1.145 115 I CA 0.976 62.430 61.300 0.256 0.000 1.462 115 I CB -0.722 37.340 38.000 0.102 0.000 1.102 115 I HN 0.277 nan 8.210 nan 0.000 0.433 116 E N 1.476 121.801 120.200 0.207 0.000 2.077 116 E HA -0.172 4.175 4.350 -0.004 0.000 0.193 116 E C 2.273 179.051 176.600 0.296 0.000 0.989 116 E CA 1.323 57.877 56.400 0.255 0.000 0.800 116 E CB -0.277 29.606 29.700 0.304 0.000 0.746 116 E HN 0.527 nan 8.360 nan 0.000 0.452 117 I N 0.658 121.414 120.570 0.311 0.000 2.226 117 I HA -0.267 3.901 4.170 -0.004 0.000 0.245 117 I C 2.471 178.640 176.117 0.086 0.000 1.100 117 I CA 0.578 61.999 61.300 0.201 0.000 1.374 117 I CB -0.249 37.864 38.000 0.188 0.000 1.057 117 I HN 0.071 nan 8.210 nan 0.000 0.413 118 L N 0.819 122.109 121.223 0.112 0.000 2.046 118 L HA -0.246 4.092 4.340 -0.004 0.000 0.208 118 L C 2.557 179.420 176.870 -0.011 0.000 1.077 118 L CA 1.912 56.758 54.840 0.010 0.000 0.747 118 L CB -0.766 41.404 42.059 0.185 0.000 0.896 118 L HN 0.234 nan 8.230 nan 0.000 0.432 119 Q N -0.038 119.900 119.800 0.230 0.000 2.077 119 Q HA -0.223 4.115 4.340 -0.004 0.000 0.206 119 Q C 2.130 178.244 176.000 0.189 0.000 0.989 119 Q CA 2.573 58.573 55.803 0.329 0.000 0.853 119 Q CB -0.626 28.322 28.738 0.350 0.000 0.907 119 Q HN 0.572 nan 8.270 nan 0.000 0.418 120 A N 0.466 123.357 122.820 0.117 0.000 1.883 120 A HA -0.073 4.245 4.320 -0.004 0.000 0.217 120 A C 2.365 179.949 177.584 0.001 0.000 1.186 120 A CA 2.298 54.366 52.037 0.052 0.000 0.624 120 A CB -1.426 17.577 19.000 0.005 0.000 0.822 120 A HN 0.612 nan 8.150 nan 0.000 0.444 121 A N -0.996 121.783 122.820 -0.068 0.000 1.865 121 A HA -0.041 4.277 4.320 -0.004 0.000 0.217 121 A C 1.934 179.488 177.584 -0.050 0.000 1.191 121 A CA 1.759 53.729 52.037 -0.113 0.000 0.623 121 A CB -0.826 18.049 19.000 -0.208 0.000 0.826 121 A HN 0.446 nan 8.150 nan 0.000 0.444 122 F N 0.009 119.943 119.950 -0.027 0.000 2.171 122 F HA -0.082 4.442 4.527 -0.006 0.000 0.300 122 F C 2.119 177.909 175.800 -0.017 0.000 1.090 122 F CA 0.858 58.805 58.000 -0.088 0.000 1.293 122 F CB -0.665 38.159 39.000 -0.294 0.000 1.013 122 F HN 0.096 nan 8.300 nan 0.000 0.486 123 L N -1.511 119.841 121.223 0.214 0.000 2.131 123 L HA -0.111 4.227 4.340 -0.004 0.000 0.206 123 L C 2.370 179.338 176.870 0.163 0.000 1.087 123 L CA 0.331 55.278 54.840 0.179 0.000 0.767 123 L CB -0.775 41.393 42.059 0.182 0.000 0.917 123 L HN -0.094 nan 8.230 nan 0.000 0.441 124 V N 0.625 120.630 119.914 0.151 0.000 2.287 124 V HA -0.347 3.770 4.120 -0.004 0.000 0.248 124 V C 2.811 178.993 176.094 0.148 0.000 1.053 124 V CA 2.109 64.524 62.300 0.191 0.000 1.027 124 V CB -0.812 31.113 31.823 0.170 0.000 0.646 124 V HN 0.493 nan 8.190 nan 0.000 0.447 125 A N -0.124 122.764 122.820 0.114 0.000 1.877 125 A HA -0.305 4.013 4.320 -0.004 0.000 0.216 125 A C 2.047 179.650 177.584 0.031 0.000 1.186 125 A CA 2.189 54.268 52.037 0.071 0.000 0.620 125 A CB -0.808 18.253 19.000 0.101 0.000 0.822 125 A HN 0.647 nan 8.150 nan 0.000 0.443 126 D N -0.433 120.006 120.400 0.066 0.000 2.149 126 D HA -0.172 4.466 4.640 -0.004 0.000 0.198 126 D C 1.214 177.517 176.300 0.006 0.000 0.990 126 D CA 1.573 55.597 54.000 0.040 0.000 0.839 126 D CB -0.085 40.761 40.800 0.076 0.000 0.948 126 D HN 0.374 nan 8.370 nan 0.000 0.460 127 D N -0.405 120.008 120.400 0.020 0.000 2.183 127 D HA -0.065 4.572 4.640 -0.004 0.000 0.203 127 D C 2.208 178.308 176.300 -0.335 0.000 0.969 127 D CA 0.412 54.412 54.000 0.000 0.000 0.842 127 D CB -0.084 40.839 40.800 0.204 0.000 0.957 127 D HN 0.405 nan 8.370 nan 0.000 0.484 128 I N 0.550 120.833 120.570 -0.479 0.000 2.127 128 I HA -0.279 3.888 4.170 -0.004 0.000 0.241 128 I C 2.543 178.463 176.117 -0.329 0.000 1.075 128 I CA 0.998 61.890 61.300 -0.679 0.000 1.334 128 I CB -0.240 37.547 38.000 -0.355 0.000 1.040 128 I HN -0.041 nan 8.210 nan 0.000 0.405 129 M N 0.047 119.547 119.600 -0.166 0.000 2.117 129 M HA -0.199 4.279 4.480 -0.004 0.000 0.262 129 M C 1.063 177.323 176.300 -0.066 0.000 1.065 129 M CA 1.668 56.914 55.300 -0.089 0.000 1.114 129 M CB -0.436 32.135 32.600 -0.048 0.000 1.361 129 M HN 0.171 nan 8.290 nan 0.000 0.408 130 D N 0.029 120.399 120.400 -0.050 0.000 2.340 130 D HA 0.092 4.729 4.640 -0.004 0.000 0.217 130 D C -0.117 176.187 176.300 0.006 0.000 1.081 130 D CA 0.215 54.207 54.000 -0.013 0.000 0.842 130 D CB 0.074 40.880 40.800 0.011 0.000 0.934 130 D HN 0.210 nan 8.370 nan 0.000 0.511 131 K N 0.296 120.688 120.400 -0.013 0.000 3.162 131 K HA -0.107 4.211 4.320 -0.004 0.000 0.268 131 K C 0.609 177.320 176.600 0.185 0.000 1.062 131 K CA 0.361 56.699 56.287 0.085 0.000 0.769 131 K CB -1.557 30.989 32.500 0.076 0.000 1.274 131 K HN 0.269 nan 8.250 nan 0.000 0.478 132 G N 0.567 109.499 108.800 0.221 0.000 2.554 132 G HA2 0.076 4.034 3.960 -0.004 0.000 0.238 132 G HA3 0.076 4.034 3.960 -0.004 0.000 0.238 132 G C 0.562 175.641 174.900 0.299 0.000 1.259 132 G CA -0.272 44.977 45.100 0.248 0.000 0.843 132 G HN 0.432 nan 8.290 nan 0.000 0.582 133 E N 0.060 120.377 120.200 0.196 0.000 2.207 133 E HA 0.122 4.469 4.350 -0.004 0.000 0.197 133 E C 0.491 177.213 176.600 0.202 0.000 0.914 133 E CA 0.267 56.769 56.400 0.171 0.000 0.914 133 E CB 0.219 29.995 29.700 0.126 0.000 0.893 133 E HN 0.318 nan 8.360 nan 0.000 0.479 134 M N 0.860 120.556 119.600 0.159 0.000 2.456 134 M HA 0.488 4.966 4.480 -0.004 0.000 0.324 134 M C -0.726 175.651 176.300 0.128 0.000 1.124 134 M CA -0.755 54.624 55.300 0.131 0.000 0.959 134 M CB 1.892 34.528 32.600 0.059 0.000 1.692 134 M HN -0.131 nan 8.290 nan 0.000 0.444 135 R N 1.623 122.199 120.500 0.128 0.000 2.502 135 R HA 0.508 4.846 4.340 -0.004 0.000 0.300 135 R C -0.582 175.744 176.300 0.044 0.000 0.984 135 R CA -0.224 55.942 56.100 0.110 0.000 0.882 135 R CB 0.755 31.157 30.300 0.170 0.000 1.180 135 R HN 0.690 nan 8.270 nan 0.000 0.444 136 R N 3.777 124.295 120.500 0.030 0.000 3.516 136 R HA -0.315 4.022 4.340 -0.004 0.000 0.271 136 R C -0.336 175.939 176.300 -0.042 0.000 1.098 136 R CA 0.786 56.884 56.100 -0.004 0.000 0.732 136 R CB -1.548 28.741 30.300 -0.018 0.000 1.152 136 R HN 0.925 nan 8.270 nan 0.000 0.455 137 N N -1.005 117.676 118.700 -0.031 0.000 2.850 137 N HA -0.167 4.570 4.740 -0.004 0.000 0.249 137 N C -0.513 174.929 175.510 -0.113 0.000 1.060 137 N CA 2.255 55.268 53.050 -0.061 0.000 0.825 137 N CB -0.326 38.129 38.487 -0.054 0.000 1.132 137 N HN 0.763 nan 8.380 nan 0.000 0.564 138 K N -1.020 119.318 120.400 -0.103 0.000 2.444 138 K HA 0.378 4.695 4.320 -0.004 0.000 0.252 138 K C -0.488 176.135 176.600 0.038 0.000 0.993 138 K CA -0.763 55.448 56.287 -0.126 0.000 0.847 138 K CB 1.091 33.489 32.500 -0.170 0.000 1.340 138 K HN -0.051 nan 8.250 nan 0.000 0.446 139 Y N 0.569 120.979 120.300 0.184 0.000 2.610 139 Y HA -0.051 4.501 4.550 0.002 0.000 0.332 139 Y C 0.730 176.790 175.900 0.266 0.000 1.201 139 Y CA -0.746 57.450 58.100 0.159 0.000 1.465 139 Y CB 0.376 38.895 38.460 0.099 0.000 1.283 139 Y HN 0.455 nan 8.280 nan 0.000 0.563 140 C N 4.393 123.913 119.300 0.366 0.000 2.597 140 C HA -0.230 4.228 4.460 -0.004 0.000 0.412 140 C C 2.066 177.276 174.990 0.367 0.000 1.348 140 C CA -0.728 58.525 59.018 0.391 0.000 1.769 140 C CB -0.340 27.641 27.740 0.402 0.000 2.641 140 C HN 1.109 nan 8.230 nan 0.000 0.612 141 W N 2.464 123.916 121.300 0.254 0.000 2.304 141 W HA -0.237 4.424 4.660 0.001 0.000 0.315 141 W C 2.090 178.633 176.519 0.040 0.000 1.233 141 W CA 2.250 59.638 57.345 0.071 0.000 1.261 141 W CB -0.480 29.051 29.460 0.119 0.000 1.150 141 W HN 1.009 nan 8.180 nan 0.000 0.494 142 Y N -0.552 119.810 120.300 0.104 0.000 2.651 142 Y HA -0.114 4.427 4.550 -0.015 0.000 0.296 142 Y C 1.793 177.639 175.900 -0.089 0.000 1.150 142 Y CA 0.766 58.846 58.100 -0.034 0.000 1.348 142 Y CB -1.132 37.368 38.460 0.067 0.000 0.983 142 Y HN -0.130 nan 8.280 nan 0.000 0.555 143 L N 0.240 121.063 121.223 -0.666 0.000 2.298 143 L HA 0.158 4.495 4.340 -0.004 0.000 0.209 143 L C 0.470 177.097 176.870 -0.404 0.000 1.084 143 L CA 0.110 54.555 54.840 -0.660 0.000 0.816 143 L CB -0.810 40.878 42.059 -0.619 0.000 0.967 143 L HN 0.202 nan 8.230 nan 0.000 0.460 144 L N 0.773 121.778 121.223 -0.364 0.000 2.578 144 L HA -0.064 4.273 4.340 -0.004 0.000 0.279 144 L C 1.658 178.347 176.870 -0.302 0.000 1.227 144 L CA 0.449 55.088 54.840 -0.335 0.000 0.900 144 L CB -0.220 41.582 42.059 -0.428 0.000 1.144 144 L HN 0.082 nan 8.230 nan 0.000 0.496 145 K N 1.534 121.795 120.400 -0.233 0.000 2.281 145 K HA -0.130 4.188 4.320 -0.004 0.000 0.203 145 K C 1.042 177.540 176.600 -0.171 0.000 1.046 145 K CA 1.014 57.194 56.287 -0.179 0.000 0.938 145 K CB -0.073 32.344 32.500 -0.139 0.000 0.737 145 K HN 0.553 nan 8.250 nan 0.000 0.458 146 D N -0.370 119.909 120.400 -0.201 0.000 2.333 146 D HA -0.055 4.582 4.640 -0.004 0.000 0.208 146 D C 1.638 177.823 176.300 -0.192 0.000 0.984 146 D CA 0.403 54.304 54.000 -0.166 0.000 0.873 146 D CB 0.495 41.214 40.800 -0.136 0.000 0.935 146 D HN 0.066 nan 8.370 nan 0.000 0.521 147 V N -0.637 119.076 119.914 -0.335 0.000 2.784 147 V HA 0.170 4.288 4.120 -0.004 0.000 0.231 147 V C -0.184 175.766 176.094 -0.240 0.000 1.128 147 V CA 0.630 62.705 62.300 -0.374 0.000 1.178 147 V CB 0.352 31.590 31.823 -0.976 0.000 0.943 147 V HN 0.099 nan 8.190 nan 0.000 0.500 148 E N -0.465 119.582 120.200 -0.254 0.000 9.238 148 E HA -0.216 4.132 4.350 -0.004 0.000 0.434 148 E C 0.679 177.274 176.600 -0.008 0.000 1.429 148 E CA 0.586 56.916 56.400 -0.117 0.000 2.485 148 E CB -1.370 28.279 29.700 -0.084 0.000 1.045 148 E HN 0.525 nan 8.360 nan 0.000 0.377 149 T N 0.388 114.992 114.554 0.082 0.000 2.821 149 T HA -0.199 4.149 4.350 -0.004 0.000 0.267 149 T C 1.725 176.475 174.700 0.085 0.000 1.046 149 T CA 1.878 64.059 62.100 0.134 0.000 1.139 149 T CB -0.234 68.710 68.868 0.126 0.000 0.871 149 T HN 0.448 nan 8.240 nan 0.000 0.454 150 K N 1.421 121.850 120.400 0.047 0.000 2.063 150 K HA -0.129 4.188 4.320 -0.004 0.000 0.208 150 K C 1.955 178.589 176.600 0.058 0.000 1.048 150 K CA 1.560 57.870 56.287 0.039 0.000 0.928 150 K CB -0.259 32.248 32.500 0.011 0.000 0.713 150 K HN 0.185 nan 8.250 nan 0.000 0.442 151 N N 1.121 119.852 118.700 0.050 0.000 2.207 151 N HA -0.013 4.725 4.740 -0.004 0.000 0.182 151 N C 2.015 177.661 175.510 0.225 0.000 1.020 151 N CA 1.257 54.372 53.050 0.107 0.000 0.858 151 N CB -0.246 38.285 38.487 0.074 0.000 0.991 151 N HN 0.378 nan 8.380 nan 0.000 0.427 152 A N 1.054 123.997 122.820 0.204 0.000 1.948 152 A HA -0.131 4.186 4.320 -0.004 0.000 0.220 152 A C 2.497 180.246 177.584 0.276 0.000 1.177 152 A CA 1.488 53.730 52.037 0.342 0.000 0.636 152 A CB -0.782 18.416 19.000 0.330 0.000 0.815 152 A HN 0.115 nan 8.150 nan 0.000 0.449 153 V N 0.324 120.349 119.914 0.184 0.000 2.323 153 V HA -0.225 3.892 4.120 -0.004 0.000 0.244 153 V C 2.404 178.589 176.094 0.151 0.000 1.041 153 V CA 2.228 64.611 62.300 0.138 0.000 1.025 153 V CB -1.044 30.836 31.823 0.095 0.000 0.656 153 V HN 0.713 nan 8.190 nan 0.000 0.451 154 N N 0.640 119.440 118.700 0.166 0.000 2.104 154 N HA -0.190 4.547 4.740 -0.004 0.000 0.190 154 N C 1.428 177.084 175.510 0.243 0.000 1.024 154 N CA 1.713 54.874 53.050 0.186 0.000 0.853 154 N CB -0.245 38.351 38.487 0.182 0.000 1.008 154 N HN 0.450 nan 8.380 nan 0.000 0.424 155 D N -0.681 119.906 120.400 0.311 0.000 2.219 155 D HA -0.078 4.560 4.640 -0.004 0.000 0.205 155 D C 1.968 178.382 176.300 0.189 0.000 0.970 155 D CA 0.490 54.699 54.000 0.349 0.000 0.851 155 D CB -0.255 40.858 40.800 0.521 0.000 0.943 155 D HN 0.129 nan 8.370 nan 0.000 0.488 156 V N 1.016 121.028 119.914 0.163 0.000 2.343 156 V HA -0.211 3.906 4.120 -0.004 0.000 0.247 156 V C 2.619 178.771 176.094 0.097 0.000 1.051 156 V CA 1.128 63.481 62.300 0.089 0.000 1.036 156 V CB -0.452 31.419 31.823 0.081 0.000 0.654 156 V HN 0.208 nan 8.190 nan 0.000 0.451 157 L N -0.948 120.355 121.223 0.134 0.000 2.046 157 L HA -0.178 4.159 4.340 -0.004 0.000 0.208 157 L C 2.434 179.415 176.870 0.185 0.000 1.077 157 L CA 1.321 56.265 54.840 0.173 0.000 0.747 157 L CB -0.491 41.662 42.059 0.157 0.000 0.896 157 L HN 0.332 nan 8.230 nan 0.000 0.432 158 L N -0.109 121.216 121.223 0.170 0.000 1.970 158 L HA -0.243 4.095 4.340 -0.004 0.000 0.212 158 L C 2.427 179.316 176.870 0.031 0.000 1.071 158 L CA 1.724 56.652 54.840 0.147 0.000 0.751 158 L CB -0.336 41.843 42.059 0.199 0.000 0.889 158 L HN 0.073 nan 8.230 nan 0.000 0.432 159 L N -1.639 119.550 121.223 -0.056 0.000 2.043 159 L HA -0.298 4.040 4.340 -0.004 0.000 0.212 159 L C 2.538 179.363 176.870 -0.075 0.000 1.075 159 L CA 1.790 56.517 54.840 -0.189 0.000 0.752 159 L CB -0.851 41.075 42.059 -0.222 0.000 0.891 159 L HN 0.395 nan 8.230 nan 0.000 0.432 160 Y N 0.760 120.999 120.300 -0.102 0.000 2.200 160 Y HA -0.191 4.357 4.550 -0.003 0.000 0.290 160 Y C 2.487 178.419 175.900 0.054 0.000 1.137 160 Y CA 1.510 59.576 58.100 -0.057 0.000 1.163 160 Y CB -0.250 38.189 38.460 -0.034 0.000 0.988 160 Y HN 0.194 nan 8.280 nan 0.000 0.518 161 N N -0.289 118.409 118.700 -0.002 0.000 2.409 161 N HA -0.123 4.614 4.740 -0.004 0.000 0.179 161 N C 2.010 177.479 175.510 -0.069 0.000 1.032 161 N CA 1.177 54.231 53.050 0.007 0.000 0.898 161 N CB -0.208 38.355 38.487 0.126 0.000 0.971 161 N HN 0.514 nan 8.380 nan 0.000 0.441 162 S N 1.288 116.827 115.700 -0.269 0.000 2.383 162 S HA -0.092 4.376 4.470 -0.004 0.000 0.229 162 S C 2.088 176.439 174.600 -0.415 0.000 1.030 162 S CA 0.552 58.328 58.200 -0.707 0.000 1.002 162 S CB -0.654 61.818 63.200 -1.214 0.000 0.829 162 S HN 0.208 nan 8.310 nan 0.000 0.467 163 I N 0.446 120.783 120.570 -0.388 0.000 2.113 163 I HA -0.269 3.899 4.170 -0.004 0.000 0.242 163 I C 2.426 178.206 176.117 -0.561 0.000 1.064 163 I CA 2.090 63.065 61.300 -0.542 0.000 1.320 163 I CB -0.552 36.944 38.000 -0.841 0.000 1.028 163 I HN 0.276 nan 8.210 nan 0.000 0.406 164 Y N 0.328 120.415 120.300 -0.355 0.000 2.314 164 Y HA -0.202 4.345 4.550 -0.005 0.000 0.293 164 Y C 2.480 178.312 175.900 -0.114 0.000 1.129 164 Y CA 1.239 59.183 58.100 -0.260 0.000 1.201 164 Y CB -0.348 37.961 38.460 -0.251 0.000 0.999 164 Y HN 0.067 nan 8.280 nan 0.000 0.541 165 K N 0.913 121.336 120.400 0.039 0.000 2.103 165 K HA -0.080 4.238 4.320 -0.004 0.000 0.204 165 K C 1.698 178.317 176.600 0.032 0.000 1.052 165 K CA 1.225 57.528 56.287 0.026 0.000 0.945 165 K CB -0.657 31.868 32.500 0.042 0.000 0.722 165 K HN 0.305 nan 8.250 nan 0.000 0.443 166 L N 0.376 121.618 121.223 0.032 0.000 2.012 166 L HA -0.157 4.180 4.340 -0.004 0.000 0.210 166 L C 2.356 179.322 176.870 0.160 0.000 1.073 166 L CA 1.483 56.399 54.840 0.125 0.000 0.748 166 L CB -0.367 41.733 42.059 0.068 0.000 0.891 166 L HN 0.189 nan 8.230 nan 0.000 0.431 167 I N -0.616 119.974 120.570 0.034 0.000 2.315 167 I HA -0.288 3.879 4.170 -0.004 0.000 0.248 167 I C 2.554 178.795 176.117 0.207 0.000 1.117 167 I CA 1.180 62.537 61.300 0.095 0.000 1.404 167 I CB -0.385 37.583 38.000 -0.054 0.000 1.071 167 I HN 0.367 nan 8.210 nan 0.000 0.419 168 E N 1.783 122.095 120.200 0.187 0.000 2.049 168 E HA -0.257 4.091 4.350 -0.004 0.000 0.198 168 E C 2.302 178.832 176.600 -0.116 0.000 1.007 168 E CA 1.724 58.153 56.400 0.049 0.000 0.809 168 E CB -0.087 29.659 29.700 0.077 0.000 0.749 168 E HN 0.449 nan 8.360 nan 0.000 0.450 169 I N -0.407 120.086 120.570 -0.128 0.000 2.286 169 I HA -0.265 3.902 4.170 -0.004 0.000 0.248 169 I C 1.575 177.432 176.117 -0.432 0.000 1.115 169 I CA 1.229 62.329 61.300 -0.334 0.000 1.392 169 I CB -0.113 37.586 38.000 -0.501 0.000 1.065 169 I HN 0.223 nan 8.210 nan 0.000 0.418 170 Y N -1.339 118.957 120.300 -0.006 0.000 2.481 170 Y HA 0.218 4.766 4.550 -0.004 0.000 0.258 170 Y C 1.462 177.349 175.900 -0.022 0.000 1.103 170 Y CA 0.094 58.202 58.100 0.013 0.000 1.287 170 Y CB 0.563 39.068 38.460 0.075 0.000 1.108 170 Y HN -0.016 nan 8.280 nan 0.000 0.529 171 L N -0.852 120.396 121.223 0.043 0.000 3.360 171 L HA 0.184 4.522 4.340 -0.004 0.000 0.303 171 L C 1.982 178.671 176.870 -0.301 0.000 1.218 171 L CA 0.039 54.881 54.840 0.004 0.000 1.059 171 L CB 0.131 42.293 42.059 0.173 0.000 1.468 171 L HN -0.033 nan 8.230 nan 0.000 0.614 172 R N 0.029 120.132 120.500 -0.661 0.000 2.117 172 R HA -0.166 4.172 4.340 -0.004 0.000 0.243 172 R C 0.868 176.826 176.300 -0.570 0.000 1.143 172 R CA 2.333 57.694 56.100 -1.232 0.000 0.968 172 R CB -0.847 28.975 30.300 -0.797 0.000 0.863 172 R HN 0.411 nan 8.270 nan 0.000 0.444 173 N N 0.437 118.974 118.700 -0.271 0.000 2.336 173 N HA 0.017 4.754 4.740 -0.004 0.000 0.189 173 N C -0.482 175.001 175.510 -0.045 0.000 1.113 173 N CA -0.235 52.742 53.050 -0.121 0.000 0.858 173 N CB 0.265 38.702 38.487 -0.083 0.000 0.970 173 N HN 0.195 nan 8.380 nan 0.000 0.471 174 E N 0.570 120.753 120.200 -0.028 0.000 2.398 174 E HA -0.027 4.320 4.350 -0.004 0.000 0.263 174 E C 0.832 177.490 176.600 0.096 0.000 1.046 174 E CA 0.079 56.509 56.400 0.050 0.000 0.908 174 E CB 1.426 31.177 29.700 0.086 0.000 0.963 174 E HN 0.028 nan 8.360 nan 0.000 0.431 175 S N 1.450 117.202 115.700 0.087 0.000 2.428 175 S HA -0.121 4.347 4.470 -0.004 0.000 0.230 175 S C 1.824 176.492 174.600 0.114 0.000 1.014 175 S CA 1.157 59.412 58.200 0.092 0.000 0.957 175 S CB -0.158 63.082 63.200 0.066 0.000 0.784 175 S HN 0.689 nan 8.310 nan 0.000 0.499 176 C N 0.211 119.584 119.300 0.122 0.000 2.576 176 C HA 0.318 4.776 4.460 -0.004 0.000 0.267 176 C C 2.055 177.131 174.990 0.143 0.000 1.364 176 C CA -0.367 58.718 59.018 0.112 0.000 1.723 176 C CB -2.418 25.384 27.740 0.103 0.000 1.778 176 C HN 0.615 nan 8.230 nan 0.000 0.572 177 Y N 2.806 123.132 120.300 0.043 0.000 2.069 177 Y HA -0.217 4.330 4.550 -0.004 0.000 0.278 177 Y C 2.317 178.252 175.900 0.057 0.000 1.175 177 Y CA 2.287 60.414 58.100 0.045 0.000 1.134 177 Y CB -0.729 37.752 38.460 0.035 0.000 0.965 177 Y HN 0.249 nan 8.280 nan 0.000 0.498 178 V N 0.509 120.359 119.914 -0.106 0.000 2.358 178 V HA -0.267 3.851 4.120 -0.004 0.000 0.246 178 V C 2.118 178.159 176.094 -0.088 0.000 1.047 178 V CA 2.140 64.337 62.300 -0.173 0.000 1.035 178 V CB -0.689 31.108 31.823 -0.043 0.000 0.658 178 V HN 0.375 nan 8.190 nan 0.000 0.452 179 D N -0.068 120.317 120.400 -0.025 0.000 2.144 179 D HA -0.128 4.509 4.640 -0.004 0.000 0.199 179 D C 2.142 178.450 176.300 0.014 0.000 0.984 179 D CA 1.158 55.152 54.000 -0.010 0.000 0.834 179 D CB -0.146 40.646 40.800 -0.012 0.000 0.955 179 D HN 0.320 nan 8.370 nan 0.000 0.465 180 V N 1.977 121.911 119.914 0.033 0.000 2.379 180 V HA -0.175 3.942 4.120 -0.004 0.000 0.245 180 V C 2.519 178.741 176.094 0.213 0.000 1.044 180 V CA 1.188 63.562 62.300 0.122 0.000 1.036 180 V CB -0.435 31.475 31.823 0.145 0.000 0.664 180 V HN 0.280 nan 8.190 nan 0.000 0.453 181 I N -0.520 120.079 120.570 0.049 0.000 2.394 181 I HA -0.076 4.092 4.170 -0.004 0.000 0.251 181 I C 2.365 178.627 176.117 0.243 0.000 1.136 181 I CA 1.769 63.154 61.300 0.142 0.000 1.425 181 I CB -0.752 37.247 38.000 -0.002 0.000 1.079 181 I HN 0.156 nan 8.210 nan 0.000 0.425 182 A N 1.601 124.494 122.820 0.121 0.000 1.930 182 A HA -0.101 4.217 4.320 -0.004 0.000 0.217 182 A C 2.329 180.009 177.584 0.160 0.000 1.175 182 A CA 2.249 54.356 52.037 0.117 0.000 0.627 182 A CB -1.193 17.838 19.000 0.051 0.000 0.815 182 A HN 0.515 nan 8.150 nan 0.000 0.443 183 T N -0.530 114.110 114.554 0.145 0.000 2.708 183 T HA -0.121 4.227 4.350 -0.004 0.000 0.266 183 T C 1.544 176.328 174.700 0.141 0.000 1.037 183 T CA 1.662 63.822 62.100 0.099 0.000 1.146 183 T CB -0.439 68.415 68.868 -0.023 0.000 0.865 183 T HN 0.410 nan 8.240 nan 0.000 0.435 184 F N 1.101 121.123 119.950 0.119 0.000 2.102 184 F HA -0.013 4.512 4.527 -0.005 0.000 0.298 184 F C 2.698 178.683 175.800 0.309 0.000 1.105 184 F CA 1.203 59.304 58.000 0.169 0.000 1.239 184 F CB -0.264 38.743 39.000 0.011 0.000 0.991 184 F HN -0.057 nan 8.300 nan 0.000 0.474 185 R N 0.553 121.367 120.500 0.524 0.000 2.080 185 R HA -0.171 4.166 4.340 -0.004 0.000 0.236 185 R C 1.888 178.362 176.300 0.291 0.000 1.137 185 R CA 2.128 58.478 56.100 0.417 0.000 0.943 185 R CB -0.457 29.998 30.300 0.258 0.000 0.846 185 R HN 0.117 nan 8.270 nan 0.000 0.431 186 D N -0.206 120.322 120.400 0.213 0.000 2.178 186 D HA -0.092 4.546 4.640 -0.004 0.000 0.202 186 D C 1.655 178.030 176.300 0.126 0.000 0.974 186 D CA 1.377 55.458 54.000 0.135 0.000 0.841 186 D CB -0.239 40.622 40.800 0.100 0.000 0.953 186 D HN 0.392 nan 8.370 nan 0.000 0.478 187 A N 0.372 123.320 122.820 0.213 0.000 1.902 187 A HA -0.160 4.158 4.320 -0.004 0.000 0.217 187 A C 2.363 180.128 177.584 0.302 0.000 1.181 187 A CA 2.008 54.210 52.037 0.275 0.000 0.623 187 A CB -0.923 18.268 19.000 0.317 0.000 0.818 187 A HN 0.194 nan 8.150 nan 0.000 0.443 188 T N 0.694 115.477 114.554 0.383 0.000 2.684 188 T HA -0.144 4.203 4.350 -0.004 0.000 0.267 188 T C 1.829 176.676 174.700 0.246 0.000 1.036 188 T CA 1.622 64.000 62.100 0.464 0.000 1.148 188 T CB -0.489 68.696 68.868 0.527 0.000 0.863 188 T HN 0.365 nan 8.240 nan 0.000 0.436 189 L N 0.513 121.837 121.223 0.168 0.000 2.013 189 L HA -0.180 4.158 4.340 -0.004 0.000 0.212 189 L C 2.701 179.603 176.870 0.053 0.000 1.073 189 L CA 1.579 56.467 54.840 0.080 0.000 0.753 189 L CB -0.510 41.583 42.059 0.057 0.000 0.890 189 L HN 0.223 nan 8.230 nan 0.000 0.432 190 K N -0.641 119.788 120.400 0.048 0.000 2.063 190 K HA -0.172 4.146 4.320 -0.004 0.000 0.208 190 K C 2.065 178.751 176.600 0.143 0.000 1.048 190 K CA 1.997 58.337 56.287 0.088 0.000 0.928 190 K CB -0.376 32.016 32.500 -0.180 0.000 0.713 190 K HN 0.345 nan 8.250 nan 0.000 0.442 191 T N 1.509 116.104 114.554 0.068 0.000 2.746 191 T HA -0.087 4.261 4.350 -0.004 0.000 0.267 191 T C 1.930 176.550 174.700 -0.134 0.000 1.039 191 T CA 1.120 63.157 62.100 -0.104 0.000 1.142 191 T CB -0.177 68.352 68.868 -0.565 0.000 0.866 191 T HN 0.131 nan 8.240 nan 0.000 0.444 192 I N 0.262 120.795 120.570 -0.061 0.000 2.252 192 I HA -0.106 4.061 4.170 -0.004 0.000 0.245 192 I C 2.096 178.224 176.117 0.018 0.000 1.102 192 I CA 0.916 62.207 61.300 -0.015 0.000 1.385 192 I CB -0.349 37.664 38.000 0.021 0.000 1.064 192 I HN 0.124 nan 8.210 nan 0.000 0.414 193 I N 1.098 121.673 120.570 0.007 0.000 2.226 193 I HA -0.204 3.964 4.170 -0.004 0.000 0.245 193 I C 2.529 178.670 176.117 0.039 0.000 1.100 193 I CA 1.714 63.012 61.300 -0.002 0.000 1.374 193 I CB -1.113 36.826 38.000 -0.103 0.000 1.057 193 I HN 0.187 nan 8.210 nan 0.000 0.413 194 G N -0.945 107.888 108.800 0.055 0.000 2.421 194 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.217 194 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.217 194 G C 1.568 176.490 174.900 0.037 0.000 1.143 194 G CA 0.192 45.339 45.100 0.078 0.000 0.784 194 G HN 0.288 nan 8.290 nan 0.000 0.541 195 Q N -0.151 119.660 119.800 0.018 0.000 2.123 195 Q HA -0.049 4.289 4.340 -0.004 0.000 0.199 195 Q C 2.117 178.130 176.000 0.022 0.000 0.966 195 Q CA 1.282 57.084 55.803 -0.002 0.000 0.845 195 Q CB -0.384 28.334 28.738 -0.035 0.000 0.907 195 Q HN 0.747 nan 8.270 nan 0.000 0.439 196 H N 0.737 119.792 119.070 -0.025 0.000 2.321 196 H HA -0.040 4.514 4.556 -0.003 0.000 0.300 196 H C 1.994 177.321 175.328 -0.002 0.000 1.087 196 H CA 1.578 57.619 56.048 -0.012 0.000 1.319 196 H CB -0.123 29.641 29.762 0.003 0.000 1.379 196 H HN 0.087 nan 8.280 nan 0.000 0.501 197 L N 0.170 121.404 121.223 0.019 0.000 2.056 197 L HA -0.165 4.172 4.340 -0.004 0.000 0.207 197 L C 2.486 179.292 176.870 -0.107 0.000 1.078 197 L CA 1.579 56.405 54.840 -0.022 0.000 0.749 197 L CB -0.568 41.505 42.059 0.023 0.000 0.901 197 L HN 0.505 nan 8.230 nan 0.000 0.433 198 D N -0.323 120.026 120.400 -0.086 0.000 2.158 198 D HA -0.211 4.427 4.640 -0.004 0.000 0.197 198 D C 1.717 177.945 176.300 -0.120 0.000 0.995 198 D CA 1.900 55.843 54.000 -0.094 0.000 0.846 198 D CB 0.256 41.028 40.800 -0.046 0.000 0.941 198 D HN 0.235 nan 8.370 nan 0.000 0.456 199 T N -0.304 114.166 114.554 -0.141 0.000 3.051 199 T HA 0.081 4.428 4.350 -0.004 0.000 0.255 199 T C 1.336 175.909 174.700 -0.211 0.000 1.085 199 T CA 0.245 62.257 62.100 -0.146 0.000 1.109 199 T CB 0.199 68.985 68.868 -0.136 0.000 0.921 199 T HN 0.193 nan 8.240 nan 0.000 0.488 200 N N 0.130 118.649 118.700 -0.302 0.000 2.159 200 N HA 0.194 4.932 4.740 -0.004 0.000 0.217 200 N C 1.275 176.626 175.510 -0.264 0.000 1.223 200 N CA -0.017 52.789 53.050 -0.406 0.000 0.896 200 N CB 0.568 38.595 38.487 -0.767 0.000 1.064 200 N HN 0.189 nan 8.380 nan 0.000 0.518 201 I N 0.527 121.004 120.570 -0.156 0.000 2.264 201 I HA -0.185 3.983 4.170 -0.004 0.000 0.248 201 I C 0.945 177.078 176.117 0.028 0.000 1.111 201 I CA 1.530 62.783 61.300 -0.079 0.000 1.382 201 I CB -0.023 37.801 38.000 -0.295 0.000 1.060 201 I HN -0.057 nan 8.210 nan 0.000 0.418 202 F N 0.040 119.984 119.950 -0.011 0.000 2.695 202 F HA 0.290 4.813 4.527 -0.006 0.000 0.303 202 F C 1.629 177.406 175.800 -0.039 0.000 1.091 202 F CA -0.231 57.758 58.000 -0.020 0.000 1.300 202 F CB -1.316 37.671 39.000 -0.021 0.000 1.071 202 F HN -0.001 nan 8.300 nan 0.000 0.578 203 S N -0.230 115.505 115.700 0.058 0.000 2.576 203 S HA -0.019 4.448 4.470 -0.004 0.000 0.272 203 S C 1.168 175.756 174.600 -0.021 0.000 1.352 203 S CA -0.458 57.707 58.200 -0.057 0.000 1.021 203 S CB 0.920 63.972 63.200 -0.247 0.000 0.887 203 S HN 0.146 nan 8.310 nan 0.000 0.542 204 D N 1.586 121.970 120.400 -0.026 0.000 2.144 204 D HA -0.132 4.506 4.640 -0.004 0.000 0.199 204 D C 2.031 178.352 176.300 0.034 0.000 0.984 204 D CA 1.684 55.690 54.000 0.009 0.000 0.834 204 D CB -0.256 40.543 40.800 -0.002 0.000 0.955 204 D HN 0.884 nan 8.370 nan 0.000 0.465 205 K N -0.046 120.351 120.400 -0.006 0.000 2.211 205 K HA -0.175 4.143 4.320 -0.004 0.000 0.204 205 K C 1.716 178.497 176.600 0.302 0.000 1.047 205 K CA 1.214 57.546 56.287 0.076 0.000 0.935 205 K CB -0.530 31.969 32.500 -0.001 0.000 0.728 205 K HN 0.353 nan 8.250 nan 0.000 0.452 206 Y N 1.362 121.677 120.300 0.024 0.000 2.478 206 Y HA 0.171 4.721 4.550 -0.000 0.000 0.261 206 Y C 0.924 176.841 175.900 0.027 0.000 1.127 206 Y CA -1.079 57.036 58.100 0.026 0.000 1.288 206 Y CB 0.736 39.208 38.460 0.021 0.000 1.084 206 Y HN 0.014 nan 8.280 nan 0.000 0.530 211 R N 1.996 122.520 120.500 0.039 0.000 2.399 211 R HA 0.089 4.426 4.340 -0.004 0.000 0.324 211 R C 0.305 176.636 176.300 0.052 0.000 1.030 211 R CA 0.104 56.232 56.100 0.046 0.000 0.984 211 R CB -0.133 30.203 30.300 0.059 0.000 0.961 211 R HN 0.926 nan 8.270 nan 0.000 0.433 212 E N 4.489 124.713 120.200 0.040 0.000 2.316 212 E HA 0.034 4.381 4.350 -0.004 0.000 0.275 212 E C 0.040 176.666 176.600 0.043 0.000 1.029 212 E CA -0.489 55.935 56.400 0.040 0.000 0.871 212 E CB 0.705 30.421 29.700 0.028 0.000 1.022 212 E HN 0.604 nan 8.360 nan 0.000 0.418 213 I N 3.378 123.979 120.570 0.052 0.000 2.683 213 I HA -0.015 4.153 4.170 -0.004 0.000 0.286 213 I C -0.211 175.922 176.117 0.027 0.000 1.175 213 I CA 0.038 61.363 61.300 0.043 0.000 1.429 213 I CB 0.568 38.600 38.000 0.055 0.000 1.371 213 I HN 0.576 nan 8.210 nan 0.000 0.569 214 D N 6.652 127.063 120.400 0.018 0.000 2.339 214 D HA 0.095 4.733 4.640 -0.004 0.000 0.241 214 D C 0.891 177.198 176.300 0.011 0.000 1.183 214 D CA -0.265 53.743 54.000 0.013 0.000 0.859 214 D CB 1.446 42.252 40.800 0.009 0.000 1.067 214 D HN 0.484 nan 8.370 nan 0.000 0.484 215 V N 1.564 121.485 119.914 0.011 0.000 3.649 215 V HA 0.189 4.307 4.120 -0.004 0.000 0.275 215 V C 0.599 176.697 176.094 0.007 0.000 1.281 215 V CA 0.470 62.776 62.300 0.010 0.000 1.143 215 V CB -0.557 31.272 31.823 0.011 0.000 0.892 215 V HN 0.303 nan 8.190 nan 0.000 0.441 216 N N 0.756 119.460 118.700 0.007 0.000 2.184 216 N HA 0.156 4.894 4.740 -0.004 0.000 0.206 216 N C 0.325 175.837 175.510 0.004 0.000 1.151 216 N CA -0.055 52.998 53.050 0.005 0.000 0.878 216 N CB 0.139 38.629 38.487 0.005 0.000 1.014 216 N HN 0.407 nan 8.380 nan 0.000 0.512 217 N N 1.759 120.461 118.700 0.003 0.000 2.500 217 N HA 0.161 4.899 4.740 -0.004 0.000 0.236 217 N C -0.040 175.470 175.510 0.000 0.000 1.022 217 N CA -0.349 52.701 53.050 0.001 0.000 0.935 217 N CB 0.337 38.825 38.487 0.001 0.000 1.147 217 N HN 0.272 nan 8.380 nan 0.000 0.512 218 I N -0.510 120.060 120.570 0.000 0.000 3.974 218 I HA 0.490 4.658 4.170 -0.004 0.000 0.334 218 I C 0.111 176.227 176.117 -0.001 0.000 1.437 218 I CA -0.184 61.116 61.300 -0.000 0.000 1.113 218 I CB 0.219 38.219 38.000 0.001 0.000 1.063 218 I HN 0.117 nan 8.210 nan 0.000 0.400 219 N N 0.385 119.084 118.700 -0.002 0.000 2.272 219 N HA 0.251 4.989 4.740 -0.004 0.000 0.228 219 N C -0.113 175.395 175.510 -0.003 0.000 1.206 219 N CA 0.415 53.464 53.050 -0.002 0.000 0.855 219 N CB 1.869 40.355 38.487 -0.001 0.000 1.248 219 N HN 0.124 nan 8.380 nan 0.000 0.476 220 V N 4.140 124.052 119.914 -0.003 0.000 2.284 220 V HA 0.408 4.526 4.120 -0.004 0.000 0.274 220 V C -2.238 173.853 176.094 -0.005 0.000 1.023 220 V CA -1.350 60.947 62.300 -0.004 0.000 0.808 220 V CB 1.260 33.081 31.823 -0.003 0.000 1.035 220 V HN -0.017 nan 8.190 nan 0.000 0.445 221 P HA 0.290 nan 4.420 nan 0.000 0.274 221 P C -0.052 177.243 177.300 -0.009 0.000 1.237 221 P CA -0.501 62.594 63.100 -0.008 0.000 0.793 221 P CB 0.859 32.554 31.700 -0.008 0.000 0.977 222 E N 0.933 121.126 120.200 -0.012 0.000 2.392 222 E HA 0.019 4.367 4.350 -0.004 0.000 0.264 222 E C -0.106 176.489 176.600 -0.008 0.000 1.024 222 E CA -0.108 56.285 56.400 -0.011 0.000 0.903 222 E CB 0.384 30.074 29.700 -0.017 0.000 0.963 222 E HN 0.307 nan 8.360 nan 0.000 0.432 223 Q N 3.855 123.651 119.800 -0.007 0.000 2.390 223 Q HA 0.271 4.609 4.340 -0.004 0.000 0.249 223 Q C -2.256 173.742 176.000 -0.003 0.000 0.996 223 Q CA -1.996 53.804 55.803 -0.006 0.000 0.899 223 Q CB 0.691 29.424 28.738 -0.008 0.000 1.216 223 Q HN 0.251 nan 8.270 nan 0.000 0.465 224 P HA -0.059 nan 4.420 nan 0.000 0.260 224 P C -0.668 176.637 177.300 0.008 0.000 1.172 224 P CA 0.240 63.351 63.100 0.019 0.000 0.760 224 P CB 0.467 32.184 31.700 0.029 0.000 0.773 225 V N 1.989 121.900 119.914 -0.006 0.000 2.971 225 V HA 0.580 4.698 4.120 -0.004 0.000 0.309 225 V C -0.057 175.922 176.094 -0.192 0.000 1.130 225 V CA -1.414 60.846 62.300 -0.065 0.000 0.964 225 V CB 1.827 33.612 31.823 -0.063 0.000 1.029 225 V HN 0.507 nan 8.190 nan 0.000 0.427 226 I N -0.067 120.262 120.570 -0.402 0.000 2.779 226 I HA 0.610 4.778 4.170 -0.004 0.000 0.285 226 I C -0.434 175.258 176.117 -0.708 0.000 1.134 226 I CA 0.333 61.004 61.300 -1.048 0.000 1.398 226 I CB 1.050 38.336 38.000 -1.190 0.000 1.404 226 I HN 0.799 nan 8.210 nan 0.000 0.587 227 D N 4.739 124.669 120.400 -0.784 0.000 2.414 227 D HA 0.235 4.872 4.640 -0.004 0.000 0.232 227 D C 0.938 177.090 176.300 -0.247 0.000 1.070 227 D CA -0.739 53.126 54.000 -0.226 0.000 0.839 227 D CB 1.572 42.430 40.800 0.097 0.000 1.079 227 D HN 0.523 nan 8.370 nan 0.000 0.521 228 I N 1.363 121.781 120.570 -0.254 0.000 2.454 228 I HA -0.097 4.071 4.170 -0.004 0.000 0.254 228 I C 1.420 177.447 176.117 -0.150 0.000 1.156 228 I CA 0.734 61.860 61.300 -0.291 0.000 1.433 228 I CB -1.275 36.663 38.000 -0.104 0.000 1.082 228 I HN 0.338 nan 8.210 nan 0.000 0.432 229 N N 0.468 119.134 118.700 -0.057 0.000 2.453 229 N HA -0.002 4.736 4.740 -0.004 0.000 0.183 229 N C 1.442 176.953 175.510 0.001 0.000 1.041 229 N CA 1.296 54.338 53.050 -0.014 0.000 0.900 229 N CB -0.269 38.221 38.487 0.006 0.000 0.961 229 N HN 0.467 nan 8.380 nan 0.000 0.443 230 M N -0.152 119.471 119.600 0.039 0.000 2.382 230 M HA 0.246 4.724 4.480 -0.004 0.000 0.247 230 M C 0.231 176.549 176.300 0.030 0.000 1.104 230 M CA -0.025 55.322 55.300 0.078 0.000 1.030 230 M CB 0.067 32.776 32.600 0.182 0.000 1.424 230 M HN -0.076 nan 8.290 nan 0.000 0.486 231 I N 3.084 123.609 120.570 -0.075 0.000 2.227 231 I HA 0.051 4.219 4.170 -0.004 0.000 0.297 231 I C -0.369 175.599 176.117 -0.247 0.000 1.173 231 I CA -0.262 60.900 61.300 -0.229 0.000 1.356 231 I CB -0.901 36.742 38.000 -0.595 0.000 1.485 231 I HN 0.292 nan 8.210 nan 0.000 0.604 232 N N 2.776 121.344 118.700 -0.219 0.000 2.598 232 N HA 0.265 5.002 4.740 -0.004 0.000 0.263 232 N C -0.147 175.262 175.510 -0.168 0.000 1.254 232 N CA -0.847 52.053 53.050 -0.249 0.000 0.863 232 N CB 0.624 39.059 38.487 -0.086 0.000 1.586 232 N HN -0.055 nan 8.380 nan 0.000 0.491 233 F N 0.207 120.188 119.950 0.052 0.000 2.333 233 F HA 0.158 4.683 4.527 -0.004 0.000 0.300 233 F C 2.331 178.237 175.800 0.177 0.000 1.083 233 F CA 1.391 59.474 58.000 0.138 0.000 1.395 233 F CB -0.552 38.523 39.000 0.124 0.000 1.056 233 F HN 0.811 nan 8.300 nan 0.000 0.529 234 G N 0.209 109.160 108.800 0.252 0.000 2.453 234 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.215 234 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.215 234 G C 1.875 176.865 174.900 0.150 0.000 1.201 234 G CA 1.242 46.448 45.100 0.177 0.000 0.784 234 G HN 0.227 nan 8.290 nan 0.000 0.545 235 V N -0.016 119.965 119.914 0.111 0.000 2.287 235 V HA -0.242 3.876 4.120 -0.004 0.000 0.248 235 V C 2.322 178.484 176.094 0.112 0.000 1.053 235 V CA 2.007 64.353 62.300 0.076 0.000 1.027 235 V CB -0.784 31.057 31.823 0.029 0.000 0.646 235 V HN 0.469 nan 8.190 nan 0.000 0.447 236 Y N 1.014 121.344 120.300 0.050 0.000 2.151 236 Y HA -0.280 4.267 4.550 -0.005 0.000 0.284 236 Y C 2.531 178.519 175.900 0.145 0.000 1.166 236 Y CA 2.021 60.178 58.100 0.095 0.000 1.163 236 Y CB -0.198 38.356 38.460 0.156 0.000 0.974 236 Y HN 0.174 nan 8.280 nan 0.000 0.511 237 K N 0.079 120.603 120.400 0.206 0.000 2.026 237 K HA -0.195 4.122 4.320 -0.004 0.000 0.208 237 K C 1.899 178.537 176.600 0.063 0.000 1.048 237 K CA 1.583 57.939 56.287 0.116 0.000 0.929 237 K CB -0.392 32.214 32.500 0.177 0.000 0.713 237 K HN 0.501 nan 8.250 nan 0.000 0.439 238 N N 0.806 119.568 118.700 0.102 0.000 2.073 238 N HA -0.251 4.487 4.740 -0.004 0.000 0.199 238 N C 1.891 177.502 175.510 0.168 0.000 1.023 238 N CA 1.680 54.818 53.050 0.145 0.000 0.880 238 N CB -0.296 38.241 38.487 0.083 0.000 1.052 238 N HN 0.151 nan 8.380 nan 0.000 0.449 239 I N 0.338 120.923 120.570 0.025 0.000 2.202 239 I HA -0.189 3.979 4.170 -0.004 0.000 0.242 239 I C 2.254 178.367 176.117 -0.007 0.000 1.091 239 I CA 0.869 62.163 61.300 -0.011 0.000 1.368 239 I CB -0.332 37.605 38.000 -0.104 0.000 1.058 239 I HN -0.002 nan 8.210 nan 0.000 0.410 240 V N 0.805 120.634 119.914 -0.142 0.000 2.427 240 V HA -0.234 3.883 4.120 -0.004 0.000 0.248 240 V C 2.367 178.466 176.094 0.008 0.000 1.051 240 V CA 1.528 63.746 62.300 -0.135 0.000 1.048 240 V CB -0.235 31.358 31.823 -0.383 0.000 0.666 240 V HN 0.228 nan 8.190 nan 0.000 0.456 241 I N -0.279 120.301 120.570 0.017 0.000 2.163 241 I HA -0.249 3.919 4.170 -0.004 0.000 0.243 241 I C 2.300 178.443 176.117 0.042 0.000 1.085 241 I CA 1.937 63.227 61.300 -0.017 0.000 1.347 241 I CB -0.576 37.396 38.000 -0.046 0.000 1.044 241 I HN 0.391 nan 8.210 nan 0.000 0.408 242 H N 0.011 119.187 119.070 0.176 0.000 2.343 242 H HA -0.073 4.481 4.556 -0.004 0.000 0.303 242 H C 2.069 177.491 175.328 0.156 0.000 1.068 242 H CA 1.622 57.793 56.048 0.205 0.000 1.359 242 H CB -0.253 29.567 29.762 0.097 0.000 1.402 242 H HN 0.296 nan 8.280 nan 0.000 0.515 243 K N -0.091 120.431 120.400 0.205 0.000 2.283 243 K HA -0.029 4.289 4.320 -0.004 0.000 0.202 243 K C 0.819 177.552 176.600 0.222 0.000 1.048 243 K CA 1.940 58.302 56.287 0.125 0.000 0.948 243 K CB 0.265 32.801 32.500 0.061 0.000 0.742 243 K HN 0.151 nan 8.250 nan 0.000 0.458 244 T N -0.545 114.145 114.554 0.228 0.000 3.125 244 T HA 0.263 4.610 4.350 -0.004 0.000 0.252 244 T C 1.834 176.630 174.700 0.160 0.000 0.981 244 T CA 0.239 62.478 62.100 0.232 0.000 1.069 244 T CB 0.222 69.233 68.868 0.239 0.000 1.091 244 T HN 0.298 nan 8.240 nan 0.000 0.460 245 A N 0.464 123.374 122.820 0.149 0.000 1.929 245 A HA 0.047 4.365 4.320 -0.004 0.000 0.216 245 A C 1.914 179.518 177.584 0.034 0.000 1.176 245 A CA 1.265 53.360 52.037 0.097 0.000 0.628 245 A CB -0.911 18.022 19.000 -0.111 0.000 0.816 245 A HN 0.532 nan 8.150 nan 0.000 0.444 246 Y N -1.047 119.337 120.300 0.139 0.000 2.163 246 Y HA -0.251 4.297 4.550 -0.004 0.000 0.288 246 Y C 2.429 178.471 175.900 0.236 0.000 1.136 246 Y CA 2.141 60.365 58.100 0.206 0.000 1.147 246 Y CB -0.620 37.932 38.460 0.154 0.000 0.987 246 Y HN 0.636 nan 8.280 nan 0.000 0.509 247 Y N -2.647 117.804 120.300 0.252 0.000 2.519 247 Y HA 0.136 4.684 4.550 -0.003 0.000 0.287 247 Y C 1.873 177.805 175.900 0.054 0.000 1.128 247 Y CA 0.842 59.049 58.100 0.178 0.000 1.282 247 Y CB -0.456 38.160 38.460 0.260 0.000 1.027 247 Y HN -0.119 nan 8.280 nan 0.000 0.551 248 S N -0.947 114.460 115.700 -0.488 0.000 2.497 248 S HA 0.240 4.708 4.470 -0.004 0.000 0.218 248 S C 0.686 174.735 174.600 -0.918 0.000 1.023 248 S CA 0.334 58.046 58.200 -0.812 0.000 0.913 248 S CB -0.047 62.656 63.200 -0.829 0.000 0.800 248 S HN 0.490 nan 8.310 nan 0.000 0.505 249 F N -1.548 118.299 119.950 -0.171 0.000 2.334 249 F HA 0.367 4.891 4.527 -0.004 0.000 0.269 249 F C 1.390 177.169 175.800 -0.035 0.000 0.879 249 F CA -0.529 57.395 58.000 -0.128 0.000 1.102 249 F CB -0.428 38.492 39.000 -0.132 0.000 1.032 249 F HN 0.079 nan 8.300 nan 0.000 0.782 250 F N 1.303 121.270 119.950 0.027 0.000 2.046 250 F HA -0.203 4.321 4.527 -0.004 0.000 0.297 250 F C 2.272 178.080 175.800 0.013 0.000 1.123 250 F CA 1.534 59.539 58.000 0.009 0.000 1.199 250 F CB -0.776 38.218 39.000 -0.011 0.000 0.972 250 F HN -0.047 nan 8.300 nan 0.000 0.474 251 L N 1.680 122.876 121.223 -0.045 0.000 1.971 251 L HA -0.148 4.189 4.340 -0.004 0.000 0.215 251 L C -0.677 176.020 176.870 -0.287 0.000 1.072 251 L CA 2.465 57.165 54.840 -0.234 0.000 0.758 251 L CB -2.113 39.838 42.059 -0.181 0.000 0.889 251 L HN 0.050 nan 8.230 nan 0.000 0.433 252 P HA -0.168 nan 4.420 nan 0.000 0.218 252 P C 2.105 179.320 177.300 -0.142 0.000 1.148 252 P CA 1.825 64.811 63.100 -0.190 0.000 0.822 252 P CB -0.090 31.486 31.700 -0.206 0.000 0.784 253 I N -0.911 119.579 120.570 -0.133 0.000 2.233 253 I HA -0.158 4.010 4.170 -0.004 0.000 0.243 253 I C 2.543 178.598 176.117 -0.103 0.000 1.093 253 I CA 1.007 62.253 61.300 -0.091 0.000 1.380 253 I CB -0.841 37.127 38.000 -0.053 0.000 1.067 253 I HN -0.216 nan 8.210 nan 0.000 0.413 254 V N 0.392 120.187 119.914 -0.198 0.000 2.287 254 V HA -0.350 3.768 4.120 -0.004 0.000 0.248 254 V C 2.658 178.723 176.094 -0.048 0.000 1.053 254 V CA 1.924 64.138 62.300 -0.143 0.000 1.027 254 V CB -0.625 30.906 31.823 -0.486 0.000 0.646 254 V HN 0.580 nan 8.190 nan 0.000 0.447 255 C N 0.584 119.822 119.300 -0.104 0.000 2.398 255 C HA -0.144 4.314 4.460 -0.004 0.000 0.276 255 C C 2.949 177.959 174.990 0.033 0.000 1.222 255 C CA 1.108 60.107 59.018 -0.031 0.000 1.746 255 C CB -1.691 26.015 27.740 -0.056 0.000 2.039 255 C HN 0.706 nan 8.230 nan 0.000 0.470 256 G N -0.299 108.521 108.800 0.034 0.000 2.418 256 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.217 256 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.217 256 G C 1.581 176.572 174.900 0.150 0.000 1.158 256 G CA 0.859 46.031 45.100 0.121 0.000 0.771 256 G HN 0.522 nan 8.290 nan 0.000 0.545 257 M N -0.231 119.413 119.600 0.073 0.000 2.175 257 M HA 0.151 4.629 4.480 -0.004 0.000 0.264 257 M C 2.492 178.882 176.300 0.149 0.000 1.063 257 M CA 0.891 56.224 55.300 0.054 0.000 1.119 257 M CB -0.251 32.320 32.600 -0.048 0.000 1.377 257 M HN 0.126 nan 8.290 nan 0.000 0.415 258 L N -0.522 120.807 121.223 0.177 0.000 2.044 258 L HA -0.185 4.153 4.340 -0.004 0.000 0.205 258 L C 2.439 179.393 176.870 0.140 0.000 1.075 258 L CA 0.608 55.543 54.840 0.159 0.000 0.747 258 L CB -0.579 41.537 42.059 0.095 0.000 0.903 258 L HN 0.256 nan 8.230 nan 0.000 0.435 259 L N 0.335 121.646 121.223 0.146 0.000 2.042 259 L HA -0.170 4.168 4.340 -0.004 0.000 0.210 259 L C 2.518 179.569 176.870 0.300 0.000 1.076 259 L CA 2.057 56.998 54.840 0.169 0.000 0.749 259 L CB -0.694 41.385 42.059 0.034 0.000 0.893 259 L HN 0.173 nan 8.230 nan 0.000 0.432 260 A N -1.234 121.771 122.820 0.309 0.000 2.168 260 A HA 0.305 4.623 4.320 -0.004 0.000 0.215 260 A C 1.599 179.209 177.584 0.043 0.000 1.152 260 A CA 0.837 52.920 52.037 0.078 0.000 0.716 260 A CB -0.902 18.034 19.000 -0.107 0.000 0.794 260 A HN 0.898 nan 8.150 nan 0.000 0.465 261 G N -1.054 107.801 108.800 0.092 0.000 2.167 261 G HA2 -0.166 3.792 3.960 -0.004 0.000 0.194 261 G HA3 -0.166 3.792 3.960 -0.004 0.000 0.194 261 G C 0.075 175.026 174.900 0.084 0.000 1.027 261 G CA 0.110 45.258 45.100 0.081 0.000 0.717 261 G HN 0.400 nan 8.290 nan 0.000 0.501 266 N N 0.719 119.579 118.700 0.267 0.000 2.441 266 N HA 0.193 4.931 4.740 -0.004 0.000 0.251 266 N C 1.227 176.868 175.510 0.220 0.000 1.242 266 N CA -0.082 53.098 53.050 0.216 0.000 0.898 266 N CB 1.259 39.857 38.487 0.184 0.000 1.100 266 N HN 0.361 nan 8.380 nan 0.000 0.443 267 L N 3.239 124.533 121.223 0.119 0.000 2.395 267 L HA 0.001 4.339 4.340 -0.004 0.000 0.218 267 L C 2.281 179.194 176.870 0.072 0.000 1.130 267 L CA 0.236 55.135 54.840 0.099 0.000 0.826 267 L CB -0.141 41.956 42.059 0.062 0.000 0.941 267 L HN 0.642 nan 8.230 nan 0.000 0.451 268 I N -1.030 119.545 120.570 0.009 0.000 2.454 268 I HA -0.343 3.824 4.170 -0.004 0.000 0.254 268 I C 2.261 178.330 176.117 -0.080 0.000 1.156 268 I CA 1.273 62.525 61.300 -0.079 0.000 1.433 268 I CB 0.058 37.950 38.000 -0.181 0.000 1.082 268 I HN 0.162 nan 8.210 nan 0.000 0.432 269 Y N 0.605 120.943 120.300 0.064 0.000 2.224 269 Y HA -0.299 4.249 4.550 -0.004 0.000 0.289 269 Y C 2.918 178.921 175.900 0.172 0.000 1.146 269 Y CA 1.715 59.892 58.100 0.127 0.000 1.182 269 Y CB -0.833 37.706 38.460 0.131 0.000 0.983 269 Y HN -0.016 nan 8.280 nan 0.000 0.524 270 K N 0.446 120.992 120.400 0.243 0.000 2.155 270 K HA -0.078 4.240 4.320 -0.004 0.000 0.203 270 K C 1.917 178.559 176.600 0.070 0.000 1.052 270 K CA 1.172 57.540 56.287 0.135 0.000 0.948 270 K CB -0.241 32.315 32.500 0.092 0.000 0.728 270 K HN 0.397 nan 8.250 nan 0.000 0.448 271 K N 0.069 120.503 120.400 0.055 0.000 2.097 271 K HA 0.052 4.370 4.320 -0.004 0.000 0.205 271 K C 1.980 178.587 176.600 0.012 0.000 1.050 271 K CA 1.441 57.736 56.287 0.013 0.000 0.938 271 K CB -0.118 32.378 32.500 -0.007 0.000 0.718 271 K HN 0.185 nan 8.250 nan 0.000 0.442 272 I N 1.177 121.783 120.570 0.059 0.000 2.439 272 I HA -0.174 3.993 4.170 -0.004 0.000 0.251 272 I C 2.256 178.474 176.117 0.168 0.000 1.139 272 I CA 1.302 62.661 61.300 0.100 0.000 1.438 272 I CB -0.812 37.262 38.000 0.123 0.000 1.085 272 I HN 0.284 nan 8.210 nan 0.000 0.427 273 E N 1.208 121.505 120.200 0.161 0.000 2.017 273 E HA -0.251 4.097 4.350 -0.004 0.000 0.193 273 E C 1.709 178.194 176.600 -0.192 0.000 0.997 273 E CA 1.719 58.017 56.400 -0.170 0.000 0.804 273 E CB 0.161 29.654 29.700 -0.345 0.000 0.757 273 E HN 0.346 nan 8.360 nan 0.000 0.448 274 D N 0.482 120.814 120.400 -0.114 0.000 2.106 274 D HA -0.201 4.436 4.640 -0.004 0.000 0.191 274 D C 2.064 178.290 176.300 -0.123 0.000 0.997 274 D CA 1.189 55.122 54.000 -0.111 0.000 0.834 274 D CB -0.400 40.358 40.800 -0.069 0.000 0.956 274 D HN 0.301 nan 8.370 nan 0.000 0.448 275 I N 1.003 121.511 120.570 -0.103 0.000 2.118 275 I HA -0.317 3.851 4.170 -0.004 0.000 0.241 275 I C 2.404 178.412 176.117 -0.182 0.000 1.070 275 I CA 1.170 62.389 61.300 -0.134 0.000 1.327 275 I CB -0.311 37.625 38.000 -0.106 0.000 1.034 275 I HN -0.088 nan 8.210 nan 0.000 0.405 276 S N 0.363 115.982 115.700 -0.134 0.000 2.383 276 S HA -0.182 4.285 4.470 -0.004 0.000 0.229 276 S C 1.951 176.401 174.600 -0.250 0.000 1.030 276 S CA 1.364 59.479 58.200 -0.142 0.000 1.002 276 S CB -0.200 63.021 63.200 0.034 0.000 0.829 276 S HN 0.304 nan 8.310 nan 0.000 0.467 277 M N 0.654 120.095 119.600 -0.266 0.000 2.086 277 M HA 0.055 4.533 4.480 -0.004 0.000 0.261 277 M C 1.930 178.134 176.300 -0.160 0.000 1.067 277 M CA 1.053 56.212 55.300 -0.235 0.000 1.116 277 M CB -1.684 30.789 32.600 -0.212 0.000 1.348 277 M HN 0.218 nan 8.290 nan 0.000 0.407 278 L N -0.250 120.874 121.223 -0.164 0.000 2.079 278 L HA -0.117 4.221 4.340 -0.004 0.000 0.210 278 L C 2.425 179.189 176.870 -0.177 0.000 1.081 278 L CA 1.738 56.493 54.840 -0.140 0.000 0.752 278 L CB -0.880 41.075 42.059 -0.173 0.000 0.896 278 L HN 0.325 nan 8.230 nan 0.000 0.433 279 M N -2.109 117.277 119.600 -0.357 0.000 2.287 279 M HA -0.013 4.464 4.480 -0.004 0.000 0.266 279 M C 2.143 178.080 176.300 -0.606 0.000 1.079 279 M CA 1.289 56.216 55.300 -0.621 0.000 1.146 279 M CB -0.645 31.283 32.600 -1.120 0.000 1.374 279 M HN 0.331 nan 8.290 nan 0.000 0.435 280 G N 0.058 108.598 108.800 -0.432 0.000 2.402 280 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.216 280 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.216 280 G C 1.306 176.305 174.900 0.166 0.000 1.162 280 G CA 0.790 45.906 45.100 0.026 0.000 0.777 280 G HN 0.502 nan 8.290 nan 0.000 0.539 281 E N -0.436 119.827 120.200 0.105 0.000 2.023 281 E HA -0.257 4.090 4.350 -0.004 0.000 0.196 281 E C 2.055 178.837 176.600 0.304 0.000 1.003 281 E CA 1.268 57.779 56.400 0.185 0.000 0.809 281 E CB -0.390 29.416 29.700 0.177 0.000 0.755 281 E HN 0.534 nan 8.360 nan 0.000 0.449 282 Y N -0.055 120.357 120.300 0.187 0.000 2.114 282 Y HA -0.311 4.237 4.550 -0.003 0.000 0.282 282 Y C 2.120 178.263 175.900 0.405 0.000 1.165 282 Y CA 2.160 60.432 58.100 0.286 0.000 1.148 282 Y CB -0.461 38.054 38.460 0.092 0.000 0.972 282 Y HN 0.179 nan 8.280 nan 0.000 0.504 283 F N 1.146 121.246 119.950 0.249 0.000 2.102 283 F HA -0.204 4.321 4.527 -0.003 0.000 0.298 283 F C 2.493 178.435 175.800 0.236 0.000 1.105 283 F CA 2.151 60.324 58.000 0.288 0.000 1.239 283 F CB -0.880 38.385 39.000 0.442 0.000 0.991 283 F HN 0.182 nan 8.300 nan 0.000 0.474 284 Q N 0.628 120.548 119.800 0.200 0.000 2.119 284 Q HA -0.112 4.225 4.340 -0.004 0.000 0.201 284 Q C 2.109 178.159 176.000 0.083 0.000 0.972 284 Q CA 1.894 57.741 55.803 0.074 0.000 0.847 284 Q CB -0.477 28.328 28.738 0.110 0.000 0.903 284 Q HN 0.588 nan 8.270 nan 0.000 0.433 285 I N -0.471 120.171 120.570 0.119 0.000 2.226 285 I HA -0.275 3.893 4.170 -0.004 0.000 0.245 285 I C 2.190 178.260 176.117 -0.079 0.000 1.100 285 I CA 1.511 62.808 61.300 -0.005 0.000 1.374 285 I CB -0.494 37.286 38.000 -0.366 0.000 1.057 285 I HN 0.370 nan 8.210 nan 0.000 0.413 286 H N 1.076 120.034 119.070 -0.185 0.000 2.352 286 H HA -0.248 4.306 4.556 -0.003 0.000 0.299 286 H C 1.867 176.972 175.328 -0.371 0.000 1.097 286 H CA 2.324 58.108 56.048 -0.440 0.000 1.311 286 H CB -0.205 29.135 29.762 -0.703 0.000 1.377 286 H HN 0.277 nan 8.280 nan 0.000 0.504 287 D N -0.443 119.731 120.400 -0.377 0.000 2.104 287 D HA -0.156 4.482 4.640 -0.004 0.000 0.194 287 D C 1.625 177.793 176.300 -0.220 0.000 0.994 287 D CA 1.690 55.486 54.000 -0.339 0.000 0.830 287 D CB -0.304 40.338 40.800 -0.264 0.000 0.959 287 D HN 0.431 nan 8.370 nan 0.000 0.452 288 D N -1.165 119.180 120.400 -0.093 0.000 2.123 288 D HA -0.197 4.441 4.640 -0.004 0.000 0.196 288 D C 1.697 177.959 176.300 -0.064 0.000 0.992 288 D CA 0.810 54.808 54.000 -0.004 0.000 0.833 288 D CB -0.521 40.368 40.800 0.148 0.000 0.954 288 D HN 0.399 nan 8.370 nan 0.000 0.455 289 Y N 1.114 121.241 120.300 -0.288 0.000 2.181 289 Y HA -0.119 4.429 4.550 -0.003 0.000 0.288 289 Y C 2.022 177.755 175.900 -0.278 0.000 1.146 289 Y CA 1.305 59.214 58.100 -0.318 0.000 1.164 289 Y CB -0.350 37.587 38.460 -0.872 0.000 0.982 289 Y HN -0.070 nan 8.280 nan 0.000 0.515 290 L N 0.089 121.031 121.223 -0.469 0.000 2.201 290 L HA -0.180 4.157 4.340 -0.004 0.000 0.212 290 L C 2.095 178.773 176.870 -0.319 0.000 1.105 290 L CA 1.702 56.273 54.840 -0.448 0.000 0.775 290 L CB -0.633 41.176 42.059 -0.416 0.000 0.913 290 L HN 0.268 nan 8.230 nan 0.000 0.440 291 D N 0.253 120.501 120.400 -0.253 0.000 2.149 291 D HA -0.211 4.427 4.640 -0.004 0.000 0.198 291 D C 2.064 178.226 176.300 -0.230 0.000 0.990 291 D CA 1.231 55.124 54.000 -0.179 0.000 0.839 291 D CB 0.280 41.019 40.800 -0.103 0.000 0.948 291 D HN 0.126 nan 8.370 nan 0.000 0.460 292 I N -0.651 119.701 120.570 -0.363 0.000 2.296 292 I HA -0.073 4.095 4.170 -0.004 0.000 0.242 292 I C 1.453 177.156 176.117 -0.689 0.000 1.087 292 I CA 1.030 61.976 61.300 -0.590 0.000 1.393 292 I CB -1.238 36.134 38.000 -1.046 0.000 1.093 292 I HN 0.078 nan 8.210 nan 0.000 0.421 293 F N 0.922 120.616 119.950 -0.427 0.000 2.695 293 F HA 0.389 4.915 4.527 -0.001 0.000 0.303 293 F C 1.608 177.186 175.800 -0.371 0.000 1.091 293 F CA -0.344 57.391 58.000 -0.442 0.000 1.300 293 F CB -0.126 38.436 39.000 -0.730 0.000 1.071 293 F HN -0.045 nan 8.300 nan 0.000 0.578 294 G N -0.309 108.356 108.800 -0.225 0.000 2.547 294 G HA2 0.235 4.193 3.960 -0.004 0.000 0.291 294 G HA3 0.235 4.193 3.960 -0.004 0.000 0.291 294 G C -1.449 173.401 174.900 -0.082 0.000 1.211 294 G CA -0.239 44.774 45.100 -0.146 0.000 0.950 294 G HN 0.009 nan 8.290 nan 0.000 0.504 295 D N -0.631 119.742 120.400 -0.046 0.000 2.392 295 D HA 0.270 4.908 4.640 -0.004 0.000 0.228 295 D C 1.426 177.713 176.300 -0.023 0.000 1.074 295 D CA -0.397 53.588 54.000 -0.025 0.000 0.838 295 D CB 1.582 42.379 40.800 -0.004 0.000 1.067 295 D HN 0.110 nan 8.370 nan 0.000 0.511 296 S N 2.289 117.974 115.700 -0.025 0.000 2.393 296 S HA -0.276 4.192 4.470 -0.004 0.000 0.234 296 S C 1.848 176.443 174.600 -0.009 0.000 1.064 296 S CA 2.586 60.776 58.200 -0.017 0.000 1.088 296 S CB -0.295 62.897 63.200 -0.013 0.000 0.939 296 S HN 0.776 nan 8.310 nan 0.000 0.448 297 T N -1.765 112.785 114.554 -0.007 0.000 3.085 297 T HA 0.144 4.491 4.350 -0.004 0.000 0.263 297 T C 1.456 176.157 174.700 0.002 0.000 1.127 297 T CA 0.670 62.768 62.100 -0.005 0.000 1.103 297 T CB -0.071 68.794 68.868 -0.004 0.000 0.921 297 T HN 0.397 nan 8.240 nan 0.000 0.510 298 K N 0.773 121.177 120.400 0.007 0.000 2.287 298 K HA 0.075 4.393 4.320 -0.004 0.000 0.199 298 K C 2.626 179.240 176.600 0.023 0.000 1.061 298 K CA 1.149 57.447 56.287 0.019 0.000 0.976 298 K CB 0.034 32.549 32.500 0.026 0.000 0.898 298 K HN 0.516 nan 8.250 nan 0.000 0.492 299 T N -1.821 112.738 114.554 0.008 0.000 3.035 299 T HA 0.036 4.384 4.350 -0.004 0.000 0.268 299 T C 1.543 176.254 174.700 0.018 0.000 1.109 299 T CA 0.946 63.050 62.100 0.008 0.000 1.119 299 T CB -0.078 68.775 68.868 -0.026 0.000 0.900 299 T HN 0.355 nan 8.240 nan 0.000 0.503 300 G N 1.992 110.799 108.800 0.011 0.000 2.162 300 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.260 300 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.260 300 G C -0.073 174.838 174.900 0.018 0.000 0.976 300 G CA 0.564 45.670 45.100 0.011 0.000 0.655 300 G HN 1.035 nan 8.290 nan 0.000 0.533 301 K N -1.593 118.817 120.400 0.017 0.000 2.551 301 K HA 0.707 5.025 4.320 -0.004 0.000 0.269 301 K C -0.916 175.692 176.600 0.014 0.000 0.949 301 K CA -1.190 55.115 56.287 0.030 0.000 0.849 301 K CB 2.111 34.635 32.500 0.040 0.000 1.411 301 K HN 0.237 nan 8.250 nan 0.000 0.432 302 V N 1.632 121.562 119.914 0.026 0.000 2.407 302 V HA 0.370 4.488 4.120 -0.004 0.000 0.278 302 V C 0.796 176.888 176.094 -0.002 0.000 1.037 302 V CA -0.344 61.962 62.300 0.011 0.000 0.900 302 V CB 1.128 32.968 31.823 0.027 0.000 0.983 302 V HN 0.898 nan 8.190 nan 0.000 0.459 303 G N 3.195 111.976 108.800 -0.032 0.000 2.265 303 G HA2 0.323 4.281 3.960 -0.004 0.000 0.240 303 G HA3 0.323 4.281 3.960 -0.004 0.000 0.240 303 G C 0.701 175.579 174.900 -0.036 0.000 1.270 303 G CA 0.489 45.561 45.100 -0.048 0.000 0.901 303 G HN 1.142 nan 8.290 nan 0.000 0.507 304 S N -0.133 115.549 115.700 -0.029 0.000 2.800 304 S HA 0.077 4.545 4.470 -0.004 0.000 0.266 304 S C 0.809 175.389 174.600 -0.033 0.000 1.029 304 S CA 0.171 58.356 58.200 -0.025 0.000 1.302 304 S CB 0.557 63.757 63.200 0.001 0.000 1.212 304 S HN 0.394 nan 8.310 nan 0.000 0.683 305 D N 2.656 123.044 120.400 -0.018 0.000 2.144 305 D HA 0.055 4.693 4.640 -0.004 0.000 0.199 305 D C 1.743 178.014 176.300 -0.049 0.000 0.984 305 D CA 1.136 55.148 54.000 0.021 0.000 0.834 305 D CB -0.190 40.663 40.800 0.089 0.000 0.955 305 D HN 0.473 nan 8.370 nan 0.000 0.465 306 I N 1.274 121.745 120.570 -0.166 0.000 2.163 306 I HA -0.282 3.886 4.170 -0.004 0.000 0.240 306 I C 2.675 178.461 176.117 -0.553 0.000 1.081 306 I CA 1.106 62.074 61.300 -0.553 0.000 1.353 306 I CB -0.401 37.370 38.000 -0.382 0.000 1.054 306 I HN 0.058 nan 8.210 nan 0.000 0.407 307 Q N 0.469 120.105 119.800 -0.273 0.000 2.224 307 Q HA -0.155 4.183 4.340 -0.004 0.000 0.203 307 Q C 1.206 177.133 176.000 -0.121 0.000 0.970 307 Q CA 1.313 57.006 55.803 -0.185 0.000 0.865 307 Q CB -0.379 28.293 28.738 -0.111 0.000 0.922 307 Q HN 0.433 nan 8.270 nan 0.000 0.445 308 N N 1.143 119.792 118.700 -0.085 0.000 2.398 308 N HA -0.029 4.708 4.740 -0.004 0.000 0.188 308 N C -0.435 175.100 175.510 0.041 0.000 1.122 308 N CA 0.467 53.507 53.050 -0.018 0.000 0.866 308 N CB -0.022 38.466 38.487 0.001 0.000 0.970 308 N HN 0.330 nan 8.380 nan 0.000 0.462 309 N N 0.594 119.326 118.700 0.053 0.000 2.783 309 N HA -0.155 4.583 4.740 -0.004 0.000 0.247 309 N C -1.211 174.578 175.510 0.465 0.000 1.089 309 N CA 0.472 53.710 53.050 0.313 0.000 0.690 309 N CB -0.713 37.926 38.487 0.254 0.000 0.991 309 N HN 0.047 nan 8.380 nan 0.000 0.552 310 K N 0.384 121.025 120.400 0.402 0.000 2.185 310 K HA 0.293 4.611 4.320 -0.004 0.000 0.271 310 K C 0.227 177.009 176.600 0.303 0.000 1.013 310 K CA -0.780 55.663 56.287 0.260 0.000 0.943 310 K CB 0.877 33.483 32.500 0.177 0.000 0.998 310 K HN 0.254 nan 8.250 nan 0.000 0.468 311 L N 2.932 124.141 121.223 -0.024 0.000 2.342 311 L HA 0.134 4.472 4.340 -0.004 0.000 0.285 311 L C -0.120 176.874 176.870 0.207 0.000 1.095 311 L CA 0.470 55.288 54.840 -0.036 0.000 0.843 311 L CB -0.168 41.675 42.059 -0.361 0.000 1.201 311 L HN 0.747 nan 8.230 nan 0.000 0.445 312 T N 0.024 114.681 114.554 0.172 0.000 2.926 312 T HA 0.222 4.570 4.350 -0.004 0.000 0.289 312 T C 0.472 175.103 174.700 -0.114 0.000 1.054 312 T CA -0.571 61.649 62.100 0.200 0.000 1.015 312 T CB 0.684 69.678 68.868 0.210 0.000 1.167 312 T HN 0.679 nan 8.240 nan 0.000 0.526 313 W N 1.463 122.522 121.300 -0.401 0.000 2.354 313 W HA 0.087 4.744 4.660 -0.005 0.000 0.315 313 W C -1.421 174.971 176.519 -0.212 0.000 1.206 313 W CA 1.519 58.565 57.345 -0.499 0.000 1.290 313 W CB -1.285 27.943 29.460 -0.386 0.000 1.152 313 W HN 0.602 nan 8.180 nan 0.000 0.489 314 P HA -0.247 nan 4.420 nan 0.000 0.216 314 P C 1.810 178.923 177.300 -0.312 0.000 1.153 314 P CA 1.828 64.737 63.100 -0.319 0.000 0.858 314 P CB -0.454 30.895 31.700 -0.584 0.000 0.789 315 L N -0.607 120.556 121.223 -0.100 0.000 1.989 315 L HA -0.169 4.168 4.340 -0.004 0.000 0.211 315 L C 2.284 179.028 176.870 -0.210 0.000 1.071 315 L CA 1.920 56.743 54.840 -0.029 0.000 0.749 315 L CB -1.244 40.746 42.059 -0.116 0.000 0.890 315 L HN -0.148 nan 8.230 nan 0.000 0.431 316 I N -0.729 119.591 120.570 -0.416 0.000 2.252 316 I HA -0.237 3.931 4.170 -0.004 0.000 0.245 316 I C 2.425 178.184 176.117 -0.597 0.000 1.102 316 I CA 1.172 62.100 61.300 -0.619 0.000 1.385 316 I CB -0.454 36.916 38.000 -1.050 0.000 1.064 316 I HN 0.217 nan 8.210 nan 0.000 0.414 317 K N 1.079 121.086 120.400 -0.656 0.000 2.097 317 K HA -0.134 4.184 4.320 -0.004 0.000 0.206 317 K C 1.951 178.346 176.600 -0.342 0.000 1.049 317 K CA 1.893 57.851 56.287 -0.548 0.000 0.933 317 K CB -0.645 31.223 32.500 -1.053 0.000 0.717 317 K HN 0.223 nan 8.250 nan 0.000 0.442 318 T N 0.059 114.472 114.554 -0.234 0.000 2.812 318 T HA -0.036 4.312 4.350 -0.004 0.000 0.264 318 T C 1.469 176.024 174.700 -0.242 0.000 1.042 318 T CA 1.121 63.122 62.100 -0.165 0.000 1.140 318 T CB -0.405 68.524 68.868 0.102 0.000 0.870 318 T HN 0.117 nan 8.240 nan 0.000 0.445 319 F N 1.742 121.506 119.950 -0.310 0.000 2.216 319 F HA -0.029 4.496 4.527 -0.004 0.000 0.300 319 F C 2.448 178.085 175.800 -0.272 0.000 1.085 319 F CA 1.049 58.876 58.000 -0.288 0.000 1.326 319 F CB -0.189 38.646 39.000 -0.274 0.000 1.027 319 F HN 0.211 nan 8.300 nan 0.000 0.497 320 E N -0.544 119.573 120.200 -0.137 0.000 2.110 320 E HA -0.202 4.146 4.350 -0.004 0.000 0.193 320 E C 1.594 178.098 176.600 -0.161 0.000 0.988 320 E CA 1.161 57.481 56.400 -0.134 0.000 0.804 320 E CB -0.020 29.616 29.700 -0.107 0.000 0.745 320 E HN 0.254 nan 8.360 nan 0.000 0.458 321 L N 0.240 121.323 121.223 -0.233 0.000 2.638 321 L HA 0.160 4.498 4.340 -0.004 0.000 0.232 321 L C 0.838 177.563 176.870 -0.242 0.000 1.099 321 L CA 0.165 54.899 54.840 -0.177 0.000 0.883 321 L CB -0.068 41.922 42.059 -0.115 0.000 1.136 321 L HN 0.329 nan 8.230 nan 0.000 0.492 322 C N -0.785 118.189 119.300 -0.544 0.000 2.362 322 C HA 0.732 5.190 4.460 -0.004 0.000 0.363 322 C C 1.326 176.137 174.990 -0.298 0.000 1.220 322 C CA -1.010 57.600 59.018 -0.679 0.000 2.379 322 C CB 0.801 27.857 27.740 -1.141 0.000 2.351 322 C HN 0.519 nan 8.230 nan 0.000 0.582 323 S N 0.686 116.321 115.700 -0.108 0.000 2.600 323 S HA 0.219 4.687 4.470 -0.004 0.000 0.265 323 S C 0.891 175.398 174.600 -0.155 0.000 1.325 323 S CA 0.577 58.732 58.200 -0.074 0.000 1.002 323 S CB 0.800 64.012 63.200 0.020 0.000 0.921 323 S HN 1.020 nan 8.310 nan 0.000 0.554 324 E N 0.518 120.640 120.200 -0.129 0.000 2.106 324 E HA -0.014 4.333 4.350 -0.004 0.000 0.192 324 E C -1.224 175.306 176.600 -0.117 0.000 0.984 324 E CA 1.140 57.451 56.400 -0.149 0.000 0.806 324 E CB -2.026 27.610 29.700 -0.106 0.000 0.750 324 E HN 0.548 nan 8.360 nan 0.000 0.458 325 P HA -0.081 nan 4.420 nan 0.000 0.220 325 P C 0.542 177.811 177.300 -0.050 0.000 1.148 325 P CA 1.516 64.587 63.100 -0.048 0.000 0.803 325 P CB -0.001 31.685 31.700 -0.022 0.000 0.782 326 D N -0.701 119.663 120.400 -0.060 0.000 2.194 326 D HA -0.067 4.571 4.640 -0.004 0.000 0.204 326 D C 1.767 177.985 176.300 -0.137 0.000 0.964 326 D CA 0.897 54.868 54.000 -0.049 0.000 0.846 326 D CB -0.275 40.548 40.800 0.039 0.000 0.962 326 D HN 0.176 nan 8.370 nan 0.000 0.490 327 K N 0.410 120.642 120.400 -0.279 0.000 2.063 327 K HA -0.103 4.214 4.320 -0.004 0.000 0.208 327 K C 2.186 178.721 176.600 -0.108 0.000 1.048 327 K CA 0.807 56.861 56.287 -0.387 0.000 0.928 327 K CB -0.078 32.044 32.500 -0.631 0.000 0.713 327 K HN 0.070 nan 8.250 nan 0.000 0.442 328 I N 1.166 121.687 120.570 -0.081 0.000 2.315 328 I HA -0.172 3.996 4.170 -0.004 0.000 0.248 328 I C 2.222 178.332 176.117 -0.011 0.000 1.117 328 I CA 1.184 62.466 61.300 -0.030 0.000 1.404 328 I CB -0.593 37.387 38.000 -0.032 0.000 1.071 328 I HN 0.258 nan 8.210 nan 0.000 0.419 329 K N 0.308 120.698 120.400 -0.016 0.000 2.032 329 K HA -0.161 4.157 4.320 -0.004 0.000 0.209 329 K C 2.114 178.725 176.600 0.018 0.000 1.048 329 K CA 1.711 57.998 56.287 -0.001 0.000 0.927 329 K CB -0.329 32.172 32.500 0.001 0.000 0.712 329 K HN 0.425 nan 8.250 nan 0.000 0.441 330 I N 0.486 121.075 120.570 0.031 0.000 2.179 330 I HA -0.294 3.874 4.170 -0.004 0.000 0.242 330 I C 2.215 178.376 176.117 0.075 0.000 1.088 330 I CA 1.028 62.374 61.300 0.077 0.000 1.357 330 I CB -0.338 37.745 38.000 0.139 0.000 1.051 330 I HN -0.052 nan 8.210 nan 0.000 0.409 331 V N 1.342 121.289 119.914 0.055 0.000 2.255 331 V HA -0.360 3.757 4.120 -0.004 0.000 0.247 331 V C 3.046 179.144 176.094 0.008 0.000 1.051 331 V CA 2.748 65.051 62.300 0.006 0.000 1.018 331 V CB -1.312 30.514 31.823 0.005 0.000 0.641 331 V HN 0.566 nan 8.190 nan 0.000 0.445 332 K N -0.142 120.265 120.400 0.010 0.000 2.152 332 K HA -0.206 4.112 4.320 -0.004 0.000 0.206 332 K C 1.686 178.291 176.600 0.010 0.000 1.048 332 K CA 2.046 58.336 56.287 0.004 0.000 0.933 332 K CB -0.594 31.905 32.500 -0.001 0.000 0.721 332 K HN 0.673 nan 8.250 nan 0.000 0.447 333 N N -2.290 116.427 118.700 0.028 0.000 2.317 333 N HA 0.093 4.830 4.740 -0.004 0.000 0.199 333 N C -0.418 175.109 175.510 0.028 0.000 1.145 333 N CA -0.251 52.808 53.050 0.016 0.000 0.882 333 N CB 0.433 38.922 38.487 0.002 0.000 1.113 333 N HN 0.487 nan 8.380 nan 0.000 0.486 334 Y N 1.293 121.557 120.300 -0.060 0.000 2.346 334 Y HA 0.356 4.905 4.550 -0.001 0.000 0.330 334 Y C 1.405 177.278 175.900 -0.046 0.000 1.178 334 Y CA 1.014 59.081 58.100 -0.056 0.000 1.331 334 Y CB 0.794 39.215 38.460 -0.065 0.000 1.253 334 Y HN 0.331 nan 8.280 nan 0.000 0.529 335 G N 3.304 111.932 108.800 -0.286 0.000 2.137 335 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.237 335 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.237 335 G C -0.411 174.437 174.900 -0.087 0.000 1.002 335 G CA -0.024 45.009 45.100 -0.113 0.000 0.702 335 G HN 0.531 nan 8.290 nan 0.000 0.515 336 K N 0.016 120.343 120.400 -0.121 0.000 2.413 336 K HA 0.338 4.656 4.320 -0.004 0.000 0.257 336 K C -0.166 176.383 176.600 -0.085 0.000 0.946 336 K CA -1.005 55.235 56.287 -0.078 0.000 0.823 336 K CB 1.068 33.535 32.500 -0.054 0.000 1.109 336 K HN 0.069 nan 8.250 nan 0.000 0.427 337 N N 3.762 122.425 118.700 -0.061 0.000 2.814 337 N HA -0.059 4.679 4.740 -0.004 0.000 0.304 337 N C -1.224 174.260 175.510 -0.043 0.000 1.211 337 N CA 0.345 53.364 53.050 -0.051 0.000 1.158 337 N CB -0.240 38.226 38.487 -0.034 0.000 1.458 337 N HN 0.597 nan 8.380 nan 0.000 0.519 338 N N 2.750 121.420 118.700 -0.050 0.000 2.452 338 N HA 0.009 4.747 4.740 -0.004 0.000 0.277 338 N C 0.239 175.721 175.510 -0.047 0.000 1.078 338 N CA -0.479 52.546 53.050 -0.041 0.000 0.947 338 N CB 0.897 39.362 38.487 -0.037 0.000 1.655 338 N HN 0.153 nan 8.380 nan 0.000 0.490 339 L N 5.024 126.224 121.223 -0.039 0.000 1.989 339 L HA 0.010 4.347 4.340 -0.004 0.000 0.211 339 L C 2.386 179.231 176.870 -0.042 0.000 1.071 339 L CA 2.787 57.603 54.840 -0.040 0.000 0.749 339 L CB -0.674 41.367 42.059 -0.030 0.000 0.890 339 L HN 0.780 nan 8.230 nan 0.000 0.431 340 A N -1.222 121.578 122.820 -0.035 0.000 1.908 340 A HA -0.275 4.043 4.320 -0.004 0.000 0.218 340 A C 2.390 179.950 177.584 -0.040 0.000 1.181 340 A CA 2.059 54.077 52.037 -0.032 0.000 0.627 340 A CB -1.578 17.407 19.000 -0.025 0.000 0.818 340 A HN 0.678 nan 8.150 nan 0.000 0.445 341 C N -1.344 117.929 119.300 -0.045 0.000 2.432 341 C HA -0.061 4.397 4.460 -0.004 0.000 0.277 341 C C 2.749 177.692 174.990 -0.078 0.000 1.249 341 C CA 1.010 59.996 59.018 -0.053 0.000 1.725 341 C CB -1.328 26.380 27.740 -0.054 0.000 2.028 341 C HN 0.472 nan 8.230 nan 0.000 0.477 342 V N 1.083 120.942 119.914 -0.092 0.000 2.287 342 V HA -0.256 3.862 4.120 -0.004 0.000 0.248 342 V C 2.415 178.444 176.094 -0.108 0.000 1.053 342 V CA 1.920 64.148 62.300 -0.119 0.000 1.027 342 V CB -0.655 31.101 31.823 -0.111 0.000 0.646 342 V HN 0.569 nan 8.190 nan 0.000 0.447 343 K N -0.376 119.978 120.400 -0.077 0.000 2.209 343 K HA -0.111 4.207 4.320 -0.004 0.000 0.204 343 K C 2.015 178.576 176.600 -0.065 0.000 1.048 343 K CA 1.073 57.321 56.287 -0.064 0.000 0.940 343 K CB -0.277 32.198 32.500 -0.042 0.000 0.729 343 K HN 0.348 nan 8.250 nan 0.000 0.451 344 V N 1.614 121.489 119.914 -0.065 0.000 2.358 344 V HA -0.237 3.881 4.120 -0.004 0.000 0.246 344 V C 2.106 178.143 176.094 -0.095 0.000 1.047 344 V CA 1.343 63.609 62.300 -0.056 0.000 1.035 344 V CB -0.315 31.486 31.823 -0.037 0.000 0.658 344 V HN 0.255 nan 8.190 nan 0.000 0.452 345 I N 0.032 120.508 120.570 -0.156 0.000 2.286 345 I HA -0.144 4.024 4.170 -0.004 0.000 0.245 345 I C 2.288 178.081 176.117 -0.540 0.000 1.104 345 I CA 1.366 62.469 61.300 -0.329 0.000 1.397 345 I CB -1.437 36.399 38.000 -0.274 0.000 1.072 345 I HN 0.305 nan 8.210 nan 0.000 0.417 346 D N 0.607 120.826 120.400 -0.302 0.000 2.116 346 D HA -0.184 4.453 4.640 -0.004 0.000 0.193 346 D C 2.389 178.680 176.300 -0.015 0.000 0.998 346 D CA 1.671 55.590 54.000 -0.134 0.000 0.836 346 D CB -0.158 40.602 40.800 -0.068 0.000 0.951 346 D HN 0.177 nan 8.370 nan 0.000 0.449 347 S N -0.602 115.081 115.700 -0.030 0.000 2.382 347 S HA -0.047 4.421 4.470 -0.004 0.000 0.228 347 S C 2.037 176.675 174.600 0.064 0.000 1.027 347 S CA 0.528 58.741 58.200 0.023 0.000 0.991 347 S CB -0.156 63.043 63.200 -0.001 0.000 0.823 347 S HN 0.187 nan 8.310 nan 0.000 0.469 348 L N -0.107 121.143 121.223 0.045 0.000 2.156 348 L HA -0.016 4.322 4.340 -0.004 0.000 0.208 348 L C 2.184 179.278 176.870 0.374 0.000 1.095 348 L CA 0.837 55.788 54.840 0.185 0.000 0.770 348 L CB -0.513 41.614 42.059 0.114 0.000 0.914 348 L HN 0.345 nan 8.230 nan 0.000 0.439 349 Y N 0.447 120.883 120.300 0.225 0.000 2.242 349 Y HA -0.182 4.366 4.550 -0.004 0.000 0.291 349 Y C 2.667 178.766 175.900 0.332 0.000 1.137 349 Y CA 0.550 58.822 58.100 0.287 0.000 1.181 349 Y CB -0.557 38.039 38.460 0.227 0.000 0.989 349 Y HN 0.174 nan 8.280 nan 0.000 0.527 350 E N 0.037 120.475 120.200 0.398 0.000 2.047 350 E HA -0.204 4.143 4.350 -0.004 0.000 0.191 350 E C 2.186 178.885 176.600 0.166 0.000 0.987 350 E CA 0.949 57.512 56.400 0.271 0.000 0.799 350 E CB -0.611 29.200 29.700 0.185 0.000 0.752 350 E HN 0.545 nan 8.360 nan 0.000 0.449 351 Q N -0.435 119.425 119.800 0.099 0.000 2.096 351 Q HA -0.171 4.167 4.340 -0.004 0.000 0.204 351 Q C 0.963 176.850 176.000 -0.188 0.000 0.982 351 Q CA 1.322 57.064 55.803 -0.102 0.000 0.850 351 Q CB -0.028 28.567 28.738 -0.238 0.000 0.901 351 Q HN 0.331 nan 8.270 nan 0.000 0.422 352 Y N 0.184 120.590 120.300 0.177 0.000 2.493 352 Y HA 0.148 4.695 4.550 -0.004 0.000 0.275 352 Y C -0.039 176.033 175.900 0.287 0.000 1.183 352 Y CA 0.014 58.235 58.100 0.202 0.000 1.258 352 Y CB 0.754 39.319 38.460 0.175 0.000 1.108 352 Y HN -0.037 nan 8.280 nan 0.000 0.521 353 K N -0.712 119.867 120.400 0.299 0.000 3.167 353 K HA -0.213 4.105 4.320 -0.004 0.000 0.272 353 K C 0.723 177.454 176.600 0.218 0.000 1.137 353 K CA 0.338 56.720 56.287 0.159 0.000 0.800 353 K CB -2.001 30.490 32.500 -0.015 0.000 1.253 353 K HN 0.369 nan 8.250 nan 0.000 0.497 354 I N 0.305 121.110 120.570 0.392 0.000 2.264 354 I HA -0.259 3.909 4.170 -0.004 0.000 0.248 354 I C 2.520 178.840 176.117 0.337 0.000 1.111 354 I CA 1.445 63.020 61.300 0.459 0.000 1.382 354 I CB -0.537 37.728 38.000 0.443 0.000 1.060 354 I HN 0.341 nan 8.210 nan 0.000 0.418 355 R N 0.525 121.011 120.500 -0.022 0.000 2.083 355 R HA -0.171 4.166 4.340 -0.004 0.000 0.237 355 R C 2.270 178.596 176.300 0.042 0.000 1.137 355 R CA 1.139 57.152 56.100 -0.145 0.000 0.951 355 R CB -0.176 29.904 30.300 -0.367 0.000 0.851 355 R HN 0.277 nan 8.270 nan 0.000 0.434 356 K N -0.166 120.219 120.400 -0.025 0.000 2.097 356 K HA -0.104 4.214 4.320 -0.004 0.000 0.205 356 K C 1.951 178.533 176.600 -0.031 0.000 1.050 356 K CA 1.326 57.564 56.287 -0.083 0.000 0.938 356 K CB -0.313 32.074 32.500 -0.188 0.000 0.718 356 K HN 0.431 nan 8.250 nan 0.000 0.442 357 H N -1.083 118.117 119.070 0.216 0.000 2.395 357 H HA -0.103 4.451 4.556 -0.004 0.000 0.299 357 H C 2.022 177.581 175.328 0.385 0.000 1.070 357 H CA 1.124 57.362 56.048 0.317 0.000 1.356 357 H CB -0.380 29.610 29.762 0.380 0.000 1.401 357 H HN 0.233 nan 8.280 nan 0.000 0.524 358 Y N 2.033 122.555 120.300 0.370 0.000 2.145 358 Y HA -0.264 4.284 4.550 -0.003 0.000 0.286 358 Y C 2.737 178.572 175.900 -0.107 0.000 1.145 358 Y CA 2.636 60.707 58.100 -0.048 0.000 1.148 358 Y CB -0.513 37.808 38.460 -0.231 0.000 0.981 358 Y HN 0.290 nan 8.280 nan 0.000 0.507 359 E N -0.056 120.004 120.200 -0.234 0.000 2.118 359 E HA -0.226 4.122 4.350 -0.004 0.000 0.195 359 E C 2.384 178.834 176.600 -0.250 0.000 0.992 359 E CA 1.579 57.809 56.400 -0.284 0.000 0.804 359 E CB -1.408 28.243 29.700 -0.082 0.000 0.741 359 E HN 0.558 nan 8.360 nan 0.000 0.458 360 S N -1.164 114.468 115.700 -0.114 0.000 2.356 360 S HA -0.182 4.285 4.470 -0.004 0.000 0.223 360 S C 2.024 176.562 174.600 -0.103 0.000 1.032 360 S CA 1.708 59.875 58.200 -0.055 0.000 1.005 360 S CB -0.604 62.632 63.200 0.062 0.000 0.867 360 S HN 0.724 nan 8.310 nan 0.000 0.449 361 Y N 2.250 122.416 120.300 -0.224 0.000 2.128 361 Y HA -0.131 4.417 4.550 -0.003 0.000 0.284 361 Y C 2.553 178.253 175.900 -0.332 0.000 1.154 361 Y CA 2.457 60.389 58.100 -0.280 0.000 1.149 361 Y CB -0.649 37.548 38.460 -0.439 0.000 0.976 361 Y HN 0.305 nan 8.280 nan 0.000 0.505 362 E N 0.832 120.687 120.200 -0.576 0.000 2.070 362 E HA -0.271 4.077 4.350 -0.004 0.000 0.197 362 E C 2.405 178.868 176.600 -0.227 0.000 1.004 362 E CA 1.872 58.035 56.400 -0.393 0.000 0.805 362 E CB -0.300 29.104 29.700 -0.494 0.000 0.744 362 E HN 0.356 nan 8.360 nan 0.000 0.451 363 K N 0.017 120.271 120.400 -0.245 0.000 2.009 363 K HA -0.068 4.250 4.320 -0.004 0.000 0.210 363 K C 2.196 178.669 176.600 -0.212 0.000 1.049 363 K CA 1.437 57.619 56.287 -0.176 0.000 0.929 363 K CB -0.844 31.575 32.500 -0.136 0.000 0.714 363 K HN 0.364 nan 8.250 nan 0.000 0.440 364 A N -0.160 122.504 122.820 -0.259 0.000 1.929 364 A HA -0.093 4.225 4.320 -0.004 0.000 0.216 364 A C 2.262 179.647 177.584 -0.332 0.000 1.176 364 A CA 1.896 53.782 52.037 -0.252 0.000 0.628 364 A CB -0.647 18.229 19.000 -0.207 0.000 0.816 364 A HN 0.603 nan 8.150 nan 0.000 0.444 365 Q N 0.195 119.690 119.800 -0.507 0.000 2.083 365 Q HA -0.096 4.242 4.340 -0.004 0.000 0.198 365 Q C 1.999 177.699 176.000 -0.499 0.000 0.969 365 Q CA 2.070 57.560 55.803 -0.520 0.000 0.838 365 Q CB -0.292 28.006 28.738 -0.733 0.000 0.900 365 Q HN 0.633 nan 8.270 nan 0.000 0.436 366 K N -0.556 119.549 120.400 -0.491 0.000 2.074 366 K HA -0.203 4.114 4.320 -0.004 0.000 0.209 366 K C 1.846 178.230 176.600 -0.360 0.000 1.048 366 K CA 1.478 57.454 56.287 -0.518 0.000 0.926 366 K CB -0.359 31.954 32.500 -0.313 0.000 0.713 366 K HN 0.270 nan 8.250 nan 0.000 0.444 367 A N 1.324 123.981 122.820 -0.271 0.000 1.902 367 A HA -0.209 4.109 4.320 -0.004 0.000 0.217 367 A C 2.066 179.528 177.584 -0.203 0.000 1.181 367 A CA 1.849 53.762 52.037 -0.207 0.000 0.623 367 A CB -0.523 18.379 19.000 -0.164 0.000 0.818 367 A HN 0.407 nan 8.150 nan 0.000 0.443 368 K N -0.240 120.026 120.400 -0.223 0.000 2.026 368 K HA -0.109 4.208 4.320 -0.004 0.000 0.208 368 K C 1.833 178.313 176.600 -0.199 0.000 1.048 368 K CA 1.696 57.869 56.287 -0.190 0.000 0.929 368 K CB -0.350 32.039 32.500 -0.184 0.000 0.713 368 K HN 0.510 nan 8.250 nan 0.000 0.439 369 I N 1.225 121.634 120.570 -0.269 0.000 2.208 369 I HA -0.311 3.857 4.170 -0.004 0.000 0.245 369 I C 2.271 178.247 176.117 -0.233 0.000 1.097 369 I CA 1.114 62.246 61.300 -0.281 0.000 1.363 369 I CB -0.234 37.517 38.000 -0.415 0.000 1.051 369 I HN 0.215 nan 8.210 nan 0.000 0.413 370 L N -0.360 120.724 121.223 -0.231 0.000 2.093 370 L HA -0.197 4.141 4.340 -0.004 0.000 0.208 370 L C 2.706 179.494 176.870 -0.137 0.000 1.085 370 L CA 1.137 55.868 54.840 -0.182 0.000 0.755 370 L CB -0.386 41.568 42.059 -0.174 0.000 0.904 370 L HN 0.220 nan 8.230 nan 0.000 0.435 371 S N -0.724 114.897 115.700 -0.132 0.000 2.402 371 S HA -0.106 4.362 4.470 -0.004 0.000 0.229 371 S C 2.042 176.586 174.600 -0.092 0.000 1.021 371 S CA 1.105 59.244 58.200 -0.102 0.000 0.974 371 S CB 0.046 63.187 63.200 -0.098 0.000 0.800 371 S HN 0.470 nan 8.310 nan 0.000 0.484 372 A N 1.468 124.223 122.820 -0.107 0.000 1.854 372 A HA 0.048 4.366 4.320 -0.004 0.000 0.214 372 A C 2.005 179.539 177.584 -0.084 0.000 1.192 372 A CA 1.253 53.233 52.037 -0.094 0.000 0.611 372 A CB -0.820 18.113 19.000 -0.112 0.000 0.832 372 A HN 0.556 nan 8.150 nan 0.000 0.442 373 I N 0.531 121.041 120.570 -0.101 0.000 2.236 373 I HA -0.324 3.843 4.170 -0.004 0.000 0.249 373 I C 1.793 177.874 176.117 -0.060 0.000 1.102 373 I CA 1.310 62.559 61.300 -0.085 0.000 1.365 373 I CB -0.429 37.507 38.000 -0.106 0.000 1.051 373 I HN 0.321 nan 8.210 nan 0.000 0.420 374 N N 0.552 119.214 118.700 -0.063 0.000 2.520 374 N HA -0.138 4.599 4.740 -0.004 0.000 0.185 374 N C 1.366 176.856 175.510 -0.034 0.000 1.068 374 N CA 0.968 53.990 53.050 -0.047 0.000 0.911 374 N CB -0.035 38.420 38.487 -0.053 0.000 0.961 374 N HN 0.497 nan 8.380 nan 0.000 0.446 375 E N -0.273 119.905 120.200 -0.036 0.000 2.474 375 E HA 0.175 4.523 4.350 -0.004 0.000 0.195 375 E C 0.419 177.009 176.600 -0.017 0.000 1.039 375 E CA -0.256 56.128 56.400 -0.027 0.000 0.881 375 E CB 0.512 30.193 29.700 -0.032 0.000 0.970 375 E HN 0.220 nan 8.360 nan 0.000 0.486 379 E N 2.479 122.647 120.200 -0.052 0.000 2.058 379 E HA -0.121 4.227 4.350 -0.004 0.000 0.194 379 E C 1.937 178.602 176.600 0.109 0.000 0.997 379 E CA 1.711 58.120 56.400 0.014 0.000 0.801 379 E CB 0.140 29.812 29.700 -0.047 0.000 0.746 379 E HN 0.782 nan 8.360 nan 0.000 0.450 380 G N 0.764 109.664 108.800 0.167 0.000 2.414 380 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.215 380 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.215 380 G C 1.564 176.614 174.900 0.249 0.000 1.188 380 G CA 0.861 46.113 45.100 0.253 0.000 0.783 380 G HN 0.182 nan 8.290 nan 0.000 0.537 381 I N 0.796 121.542 120.570 0.294 0.000 2.151 381 I HA -0.243 3.924 4.170 -0.004 0.000 0.243 381 I C 2.815 178.965 176.117 0.055 0.000 1.080 381 I CA 1.631 62.970 61.300 0.066 0.000 1.339 381 I CB -0.326 37.580 38.000 -0.157 0.000 1.039 381 I HN 0.279 nan 8.210 nan 0.000 0.409 382 E N -0.153 120.098 120.200 0.085 0.000 2.058 382 E HA -0.297 4.051 4.350 -0.004 0.000 0.194 382 E C 2.122 178.731 176.600 0.016 0.000 0.997 382 E CA 1.759 58.178 56.400 0.032 0.000 0.801 382 E CB -0.350 29.374 29.700 0.039 0.000 0.746 382 E HN 0.513 nan 8.360 nan 0.000 0.450 383 Y N 1.362 121.604 120.300 -0.095 0.000 2.114 383 Y HA -0.312 4.236 4.550 -0.004 0.000 0.282 383 Y C 2.189 177.988 175.900 -0.169 0.000 1.165 383 Y CA 1.581 59.578 58.100 -0.172 0.000 1.148 383 Y CB -0.266 38.013 38.460 -0.302 0.000 0.972 383 Y HN -0.165 nan 8.280 nan 0.000 0.504 384 V N 0.403 120.306 119.914 -0.018 0.000 2.343 384 V HA -0.319 3.798 4.120 -0.004 0.000 0.247 384 V C 2.383 178.459 176.094 -0.030 0.000 1.051 384 V CA 2.049 64.340 62.300 -0.014 0.000 1.036 384 V CB -0.701 31.152 31.823 0.050 0.000 0.654 384 V HN 0.459 nan 8.190 nan 0.000 0.451 385 L N -0.784 120.405 121.223 -0.057 0.000 2.131 385 L HA -0.095 4.242 4.340 -0.004 0.000 0.206 385 L C 2.576 179.363 176.870 -0.138 0.000 1.087 385 L CA 1.340 56.129 54.840 -0.084 0.000 0.767 385 L CB -0.520 41.490 42.059 -0.080 0.000 0.917 385 L HN 0.261 nan 8.230 nan 0.000 0.441 386 K N -0.609 119.701 120.400 -0.151 0.000 2.057 386 K HA -0.243 4.074 4.320 -0.004 0.000 0.207 386 K C 2.126 178.609 176.600 -0.195 0.000 1.049 386 K CA 1.753 57.930 56.287 -0.183 0.000 0.931 386 K CB -0.313 32.078 32.500 -0.183 0.000 0.714 386 K HN 0.156 nan 8.250 nan 0.000 0.440 387 Y N 1.737 121.831 120.300 -0.344 0.000 2.163 387 Y HA -0.208 4.340 4.550 -0.004 0.000 0.288 387 Y C 2.084 177.850 175.900 -0.223 0.000 1.136 387 Y CA 1.024 58.928 58.100 -0.327 0.000 1.147 387 Y CB -0.474 37.728 38.460 -0.430 0.000 0.987 387 Y HN -0.033 nan 8.280 nan 0.000 0.509 388 L N 0.299 121.343 121.223 -0.298 0.000 2.034 388 L HA -0.256 4.081 4.340 -0.004 0.000 0.217 388 L C 2.227 178.893 176.870 -0.340 0.000 1.077 388 L CA 2.148 56.799 54.840 -0.315 0.000 0.769 388 L CB -1.315 40.662 42.059 -0.137 0.000 0.890 388 L HN 0.408 nan 8.230 nan 0.000 0.435 389 L N -0.494 120.555 121.223 -0.289 0.000 2.191 389 L HA -0.154 4.183 4.340 -0.004 0.000 0.212 389 L C 2.370 179.039 176.870 -0.336 0.000 1.103 389 L CA 1.616 56.277 54.840 -0.298 0.000 0.769 389 L CB -0.799 41.081 42.059 -0.299 0.000 0.908 389 L HN 0.380 nan 8.230 nan 0.000 0.438 390 E N -0.280 119.709 120.200 -0.351 0.000 2.112 390 E HA -0.061 4.287 4.350 -0.004 0.000 0.190 390 E C 1.905 178.304 176.600 -0.336 0.000 0.979 390 E CA 1.525 57.737 56.400 -0.312 0.000 0.814 390 E CB -0.088 29.451 29.700 -0.268 0.000 0.762 390 E HN 0.745 nan 8.360 nan 0.000 0.460 391 I N -2.017 118.291 120.570 -0.437 0.000 4.018 391 I HA 0.102 4.270 4.170 -0.004 0.000 0.337 391 I C 1.777 177.737 176.117 -0.261 0.000 1.327 391 I CA -0.075 61.015 61.300 -0.350 0.000 1.100 391 I CB -0.059 37.657 38.000 -0.473 0.000 1.025 391 I HN -0.149 nan 8.210 nan 0.000 0.396 392 L N 0.965 121.991 121.223 -0.329 0.000 2.013 392 L HA -0.165 4.173 4.340 -0.004 0.000 0.212 392 L C 2.067 178.958 176.870 0.035 0.000 1.073 392 L CA 2.214 56.907 54.840 -0.246 0.000 0.753 392 L CB -0.722 41.129 42.059 -0.347 0.000 0.890 392 L HN 0.251 nan 8.230 nan 0.000 0.432 393 F N -1.011 118.946 119.950 0.012 0.000 2.456 393 F HA -0.008 4.517 4.527 -0.003 0.000 0.298 393 F C 2.444 178.287 175.800 0.071 0.000 1.104 393 F CA 1.135 59.147 58.000 0.019 0.000 1.435 393 F CB -1.734 37.144 39.000 -0.203 0.000 1.078 393 F HN 0.336 nan 8.300 nan 0.000 0.546 394 T N -3.559 111.096 114.554 0.168 0.000 3.000 394 T HA 0.524 4.872 4.350 -0.004 0.000 0.248 394 T C 1.233 175.971 174.700 0.062 0.000 1.034 394 T CA 0.389 62.556 62.100 0.111 0.000 1.060 394 T CB -0.091 68.818 68.868 0.069 0.000 0.983 394 T HN 0.409 nan 8.240 nan 0.000 0.482 395 G N 0.864 109.671 108.800 0.011 0.000 2.855 395 G HA2 0.371 4.328 3.960 -0.004 0.000 0.352 395 G HA3 0.371 4.328 3.960 -0.004 0.000 0.352 395 G C -0.031 174.849 174.900 -0.034 0.000 1.415 395 G CA -0.365 44.719 45.100 -0.027 0.000 0.871 395 G HN 1.969 nan 8.290 nan 0.000 0.543 396 V N 0.000 119.901 119.914 -0.021 0.000 2.409 396 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 396 V CA 0.000 62.317 62.300 0.029 0.000 1.235 396 V CB 0.000 31.848 31.823 0.042 0.000 1.184 396 V HN 0.000 nan 8.190 nan 0.000 0.556