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 2b5f_1_A DATA FIRST_RESID 28 DATA SEQUENCE DLGELKLWSF WRAAIAEFIA TLLFLYITVA TVIGHSKETV VCGSVGLLGI DATA SEQUENCE AWAFGGMIFV LVYCTAGISG GHINPAVTFG LFLARKVSLL RALVYMIAQC DATA SEQUENCE LGAICGVGLV KAFMKGPYNQ FGGGANSVAL GYNKGTALGA EIIGTFVLVY DATA SEQUENCE TVFSATDPKR SARDSHVPIL APLPIGFAVF MVHLATIPIT GTGINPARSF DATA SEQUENCE GAAVIFNSNK VWDDQWIFWV GPFIGAAVAA AYHQYV 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.315 176.300 0.026 0.000 2.045 28 D CA 0.000 54.014 54.000 0.023 0.000 0.868 28 D CB 0.000 40.804 40.800 0.007 0.000 0.688 29 L N 0.615 121.852 121.223 0.024 0.000 4.269 29 L HA 0.350 4.689 4.340 -0.000 0.000 0.423 29 L C -0.147 176.756 176.870 0.054 0.000 1.158 29 L CA 0.571 55.435 54.840 0.041 0.000 1.472 29 L CB 0.879 42.974 42.059 0.060 0.000 1.521 29 L HN 0.475 nan 8.230 nan 0.000 0.603 30 G N -0.072 108.746 108.800 0.029 0.000 3.205 30 G HA2 0.511 4.471 3.960 -0.000 0.000 0.343 30 G HA3 0.511 4.471 3.960 -0.000 0.000 0.343 30 G C 0.084 174.986 174.900 0.004 0.000 1.305 30 G CA 0.061 45.187 45.100 0.044 0.000 1.120 30 G HN 0.198 nan 8.290 nan 0.000 0.472 31 E N 2.424 122.619 120.200 -0.009 0.000 2.835 31 E HA 0.069 4.419 4.350 -0.000 0.000 0.183 31 E C 0.484 177.075 176.600 -0.015 0.000 0.934 31 E CA -0.149 56.182 56.400 -0.114 0.000 1.324 31 E CB 0.185 29.683 29.700 -0.337 0.000 1.038 31 E HN 0.408 nan 8.360 nan 0.000 0.481 32 L N 2.387 123.732 121.223 0.203 0.000 2.922 32 L HA 0.231 4.570 4.340 -0.000 0.000 0.244 32 L C -0.009 177.176 176.870 0.524 0.000 1.324 32 L CA -0.031 55.112 54.840 0.506 0.000 1.172 32 L CB -0.578 41.939 42.059 0.764 0.000 1.545 32 L HN -0.107 nan 8.230 nan 0.000 0.438 33 K N 1.655 122.243 120.400 0.314 0.000 2.361 33 K HA 0.087 4.407 4.320 -0.000 0.000 0.283 33 K C 0.115 176.929 176.600 0.357 0.000 1.078 33 K CA -0.442 56.005 56.287 0.266 0.000 1.041 33 K CB 0.623 33.218 32.500 0.158 0.000 0.932 33 K HN 0.098 nan 8.250 nan 0.000 0.462 34 L N 3.572 125.016 121.223 0.368 0.000 2.749 34 L HA -0.279 4.061 4.340 -0.000 0.000 0.313 34 L C 0.375 177.570 176.870 0.542 0.000 1.251 34 L CA 1.564 56.665 54.840 0.434 0.000 0.867 34 L CB -0.481 41.812 42.059 0.390 0.000 1.122 34 L HN 0.730 nan 8.230 nan 0.000 0.513 35 W N 0.777 122.186 121.300 0.181 0.000 2.396 35 W HA -0.427 4.233 4.660 0.000 0.000 0.293 35 W C 2.098 178.710 176.519 0.154 0.000 1.500 35 W CA 1.695 59.122 57.345 0.136 0.000 1.481 35 W CB -2.184 27.331 29.460 0.092 0.000 0.903 35 W HN 0.710 nan 8.180 nan 0.000 0.498 36 S N -1.166 114.788 115.700 0.424 0.000 2.752 36 S HA -0.383 4.087 4.470 -0.000 0.000 0.355 36 S C 0.787 175.551 174.600 0.273 0.000 1.556 36 S CA 2.656 61.023 58.200 0.278 0.000 1.152 36 S CB -0.926 62.404 63.200 0.217 0.000 0.817 36 S HN 0.655 nan 8.310 nan 0.000 0.494 37 F N -0.771 119.217 119.950 0.062 0.000 2.495 37 F HA 0.359 4.886 4.527 -0.000 0.000 0.272 37 F C 0.917 176.657 175.800 -0.100 0.000 0.919 37 F CA -0.895 57.057 58.000 -0.081 0.000 1.178 37 F CB -0.734 38.113 39.000 -0.255 0.000 1.030 37 F HN 0.156 nan 8.300 nan 0.000 0.777 38 W N 2.163 123.227 121.300 -0.393 0.000 2.874 38 W HA 0.065 4.725 4.660 -0.000 0.000 0.242 38 W C 1.959 178.314 176.519 -0.273 0.000 1.285 38 W CA 0.394 57.439 57.345 -0.500 0.000 1.379 38 W CB -0.333 28.937 29.460 -0.316 0.000 1.137 38 W HN -0.011 nan 8.180 nan 0.000 0.683 39 R N -0.591 119.899 120.500 -0.017 0.000 2.102 39 R HA 0.132 4.472 4.340 -0.000 0.000 0.208 39 R C 2.417 178.725 176.300 0.012 0.000 1.131 39 R CA 0.844 56.956 56.100 0.020 0.000 1.054 39 R CB -0.863 29.486 30.300 0.082 0.000 0.954 39 R HN 0.124 nan 8.270 nan 0.000 0.465 40 A N 1.781 124.640 122.820 0.064 0.000 1.903 40 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 40 A C 2.268 179.834 177.584 -0.030 0.000 1.191 40 A CA 2.105 54.198 52.037 0.094 0.000 0.638 40 A CB -0.706 18.510 19.000 0.360 0.000 0.823 40 A HN 0.401 nan 8.150 nan 0.000 0.451 41 A N -1.247 121.546 122.820 -0.045 0.000 2.216 41 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 41 A C 1.865 179.437 177.584 -0.020 0.000 1.160 41 A CA 1.226 53.232 52.037 -0.051 0.000 0.725 41 A CB -0.447 18.483 19.000 -0.118 0.000 0.784 41 A HN 0.533 nan 8.150 nan 0.000 0.472 42 I N -1.651 118.912 120.570 -0.012 0.000 3.854 42 I HA 0.015 4.184 4.170 -0.000 0.000 0.312 42 I C 2.543 178.712 176.117 0.086 0.000 1.273 42 I CA 0.682 62.015 61.300 0.055 0.000 1.298 42 I CB 0.079 38.088 38.000 0.015 0.000 1.071 42 I HN 0.329 nan 8.210 nan 0.000 0.428 43 A N 0.803 123.630 122.820 0.012 0.000 1.897 43 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 43 A C 2.148 179.718 177.584 -0.023 0.000 1.181 43 A CA 1.228 53.260 52.037 -0.008 0.000 0.620 43 A CB -0.221 18.755 19.000 -0.040 0.000 0.821 43 A HN 0.247 nan 8.150 nan 0.000 0.443 44 E N -0.654 119.502 120.200 -0.072 0.000 2.031 44 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 44 E C 1.721 178.348 176.600 0.046 0.000 0.994 44 E CA 1.022 57.375 56.400 -0.079 0.000 0.800 44 E CB -0.707 28.885 29.700 -0.179 0.000 0.752 44 E HN 0.559 nan 8.360 nan 0.000 0.447 45 F N 2.280 122.204 119.950 -0.044 0.000 2.025 45 F HA -0.300 4.227 4.527 -0.000 0.000 0.297 45 F C 2.263 178.067 175.800 0.007 0.000 1.171 45 F CA 1.518 59.519 58.000 0.001 0.000 1.204 45 F CB -0.638 38.365 39.000 0.005 0.000 0.948 45 F HN -0.055 nan 8.300 nan 0.000 0.512 46 I N 0.701 121.259 120.570 -0.020 0.000 2.381 46 I HA -0.353 3.817 4.170 -0.000 0.000 0.255 46 I C 2.547 178.590 176.117 -0.122 0.000 1.140 46 I CA 1.526 62.746 61.300 -0.134 0.000 1.404 46 I CB -2.398 35.611 38.000 0.015 0.000 1.075 46 I HN 0.376 nan 8.210 nan 0.000 0.433 47 A N 0.219 122.997 122.820 -0.070 0.000 1.832 47 A HA -0.161 4.158 4.320 -0.000 0.000 0.214 47 A C 2.356 179.924 177.584 -0.027 0.000 1.204 47 A CA 2.169 54.179 52.037 -0.046 0.000 0.606 47 A CB -1.198 17.771 19.000 -0.051 0.000 0.849 47 A HN 0.371 nan 8.150 nan 0.000 0.445 48 T N 0.500 115.027 114.554 -0.044 0.000 2.897 48 T HA -0.129 4.221 4.350 -0.000 0.000 0.271 48 T C 1.734 176.463 174.700 0.048 0.000 1.084 48 T CA 1.311 63.421 62.100 0.018 0.000 1.123 48 T CB -0.435 68.446 68.868 0.021 0.000 0.865 48 T HN 0.384 nan 8.240 nan 0.000 0.496 49 L N 0.650 121.804 121.223 -0.114 0.000 1.961 49 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 49 L C 2.114 178.962 176.870 -0.037 0.000 1.075 49 L CA 1.438 56.183 54.840 -0.160 0.000 0.749 49 L CB -0.300 41.544 42.059 -0.358 0.000 0.890 49 L HN 0.215 nan 8.230 nan 0.000 0.433 50 L N -0.616 120.585 121.223 -0.036 0.000 2.450 50 L HA -0.221 4.119 4.340 -0.000 0.000 0.224 50 L C 2.354 179.271 176.870 0.077 0.000 1.149 50 L CA 0.793 55.641 54.840 0.013 0.000 0.816 50 L CB -0.667 41.376 42.059 -0.027 0.000 0.932 50 L HN 0.364 nan 8.230 nan 0.000 0.449 51 F N 0.436 120.346 119.950 -0.067 0.000 2.118 51 F HA -0.148 4.379 4.527 -0.000 0.000 0.293 51 F C 2.145 177.867 175.800 -0.131 0.000 1.102 51 F CA 1.268 59.216 58.000 -0.086 0.000 1.247 51 F CB -0.056 38.917 39.000 -0.045 0.000 1.017 51 F HN -0.165 nan 8.300 nan 0.000 0.475 52 L N -0.252 120.934 121.223 -0.062 0.000 2.201 52 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 52 L C 2.126 178.842 176.870 -0.256 0.000 1.105 52 L CA 1.522 56.239 54.840 -0.205 0.000 0.775 52 L CB -1.667 40.382 42.059 -0.018 0.000 0.913 52 L HN 0.345 nan 8.230 nan 0.000 0.440 53 Y N 0.650 120.797 120.300 -0.255 0.000 2.079 53 Y HA -0.259 4.291 4.550 0.000 0.000 0.267 53 Y C 2.589 178.292 175.900 -0.329 0.000 1.104 53 Y CA 1.497 59.424 58.100 -0.288 0.000 1.086 53 Y CB -0.350 37.949 38.460 -0.268 0.000 0.989 53 Y HN -0.047 nan 8.280 nan 0.000 0.477 54 I N 0.844 121.234 120.570 -0.300 0.000 2.132 54 I HA -0.465 3.705 4.170 -0.000 0.000 0.238 54 I C 2.476 178.254 176.117 -0.564 0.000 1.012 54 I CA 2.726 63.791 61.300 -0.391 0.000 1.288 54 I CB -2.168 35.710 38.000 -0.203 0.000 0.997 54 I HN 0.574 nan 8.210 nan 0.000 0.402 55 T N 0.219 114.347 114.554 -0.711 0.000 2.555 55 T HA -0.165 4.184 4.350 -0.000 0.000 0.264 55 T C 1.885 176.207 174.700 -0.630 0.000 1.083 55 T CA 2.042 63.574 62.100 -0.946 0.000 1.179 55 T CB -1.305 66.478 68.868 -1.808 0.000 0.863 55 T HN 0.157 nan 8.240 nan 0.000 0.412 56 V N 2.262 121.868 119.914 -0.515 0.000 2.867 56 V HA -0.008 4.112 4.120 -0.000 0.000 0.260 56 V C 3.067 178.950 176.094 -0.351 0.000 1.099 56 V CA 1.247 63.363 62.300 -0.308 0.000 1.122 56 V CB -1.509 30.181 31.823 -0.222 0.000 0.708 56 V HN 0.748 nan 8.190 nan 0.000 0.490 57 A N -0.940 121.559 122.820 -0.535 0.000 2.119 57 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 57 A C 2.292 179.646 177.584 -0.385 0.000 1.152 57 A CA 1.860 53.534 52.037 -0.605 0.000 0.708 57 A CB -0.337 18.001 19.000 -1.103 0.000 0.805 57 A HN 0.463 nan 8.150 nan 0.000 0.460 58 T N -1.582 112.770 114.554 -0.337 0.000 2.990 58 T HA 0.116 4.466 4.350 -0.000 0.000 0.250 58 T C 1.454 176.077 174.700 -0.130 0.000 1.041 58 T CA 0.705 62.676 62.100 -0.214 0.000 1.010 58 T CB 0.286 69.023 68.868 -0.218 0.000 1.003 58 T HN 0.092 nan 8.240 nan 0.000 0.499 59 V N 1.516 121.343 119.914 -0.145 0.000 2.951 59 V HA 0.055 4.175 4.120 -0.000 0.000 0.255 59 V C 2.018 178.066 176.094 -0.075 0.000 1.088 59 V CA 0.851 63.103 62.300 -0.080 0.000 1.109 59 V CB -0.254 31.547 31.823 -0.037 0.000 0.724 59 V HN 0.429 nan 8.190 nan 0.000 0.471 60 I N 0.827 121.344 120.570 -0.088 0.000 2.429 60 I HA 0.061 4.231 4.170 -0.000 0.000 0.247 60 I C 2.589 178.620 176.117 -0.143 0.000 1.099 60 I CA 1.612 62.863 61.300 -0.082 0.000 1.422 60 I CB -1.684 36.299 38.000 -0.028 0.000 1.112 60 I HN 0.367 nan 8.210 nan 0.000 0.430 61 G N 0.107 108.833 108.800 -0.125 0.000 2.601 61 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.214 61 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.214 61 G C 1.443 176.297 174.900 -0.075 0.000 1.132 61 G CA 1.018 46.048 45.100 -0.117 0.000 0.761 61 G HN 0.445 nan 8.290 nan 0.000 0.550 62 H N -0.311 118.654 119.070 -0.174 0.000 2.247 62 H HA 0.138 4.694 4.556 -0.000 0.000 0.267 62 H C 2.439 177.651 175.328 -0.193 0.000 0.952 62 H CA 1.007 56.972 56.048 -0.139 0.000 1.250 62 H CB -0.203 29.511 29.762 -0.080 0.000 1.441 62 H HN 0.134 nan 8.280 nan 0.000 0.553 63 S N 0.917 116.735 115.700 0.197 0.000 2.428 63 S HA -0.179 4.291 4.470 -0.000 0.000 0.240 63 S C 1.590 175.912 174.600 -0.462 0.000 1.036 63 S CA 1.366 59.598 58.200 0.053 0.000 1.009 63 S CB -0.317 62.898 63.200 0.024 0.000 0.803 63 S HN 0.394 nan 8.310 nan 0.000 0.486 64 K N 1.314 121.197 120.400 -0.863 0.000 3.165 64 K HA 0.087 4.407 4.320 -0.000 0.000 0.270 64 K C 0.035 176.334 176.600 -0.502 0.000 1.111 64 K CA -0.022 55.433 56.287 -1.387 0.000 1.216 64 K CB 0.087 32.041 32.500 -0.910 0.000 1.229 64 K HN 0.061 nan 8.250 nan 0.000 0.435 65 E N -0.688 119.365 120.200 -0.245 0.000 2.280 65 E HA 0.134 4.484 4.350 -0.000 0.000 0.261 65 E C 0.400 177.008 176.600 0.014 0.000 1.088 65 E CA -0.178 56.159 56.400 -0.105 0.000 0.915 65 E CB 1.655 31.278 29.700 -0.128 0.000 1.141 65 E HN 0.083 nan 8.360 nan 0.000 0.433 66 T N -0.534 114.021 114.554 0.002 0.000 3.105 66 T HA 0.238 4.588 4.350 -0.000 0.000 0.257 66 T C -0.431 174.275 174.700 0.009 0.000 0.949 66 T CA 0.160 62.278 62.100 0.030 0.000 0.959 66 T CB 0.124 69.010 68.868 0.030 0.000 1.205 66 T HN 0.135 nan 8.240 nan 0.000 0.496 67 V N 3.325 123.230 119.914 -0.015 0.000 2.481 67 V HA 0.485 4.605 4.120 -0.000 0.000 0.286 67 V C 0.446 176.522 176.094 -0.030 0.000 1.042 67 V CA -0.957 61.332 62.300 -0.019 0.000 0.928 67 V CB 1.571 33.380 31.823 -0.024 0.000 0.986 67 V HN 0.232 nan 8.190 nan 0.000 0.462 68 V N 4.253 124.157 119.914 -0.017 0.000 2.583 68 V HA -0.108 4.011 4.120 -0.000 0.000 0.302 68 V C 0.878 176.954 176.094 -0.031 0.000 1.033 68 V CA 0.289 62.580 62.300 -0.016 0.000 1.194 68 V CB -0.451 31.369 31.823 -0.005 0.000 0.879 68 V HN 1.285 nan 8.190 nan 0.000 0.482 69 C N 3.899 123.174 119.300 -0.042 0.000 3.727 69 C HA -0.142 4.318 4.460 -0.000 0.000 0.293 69 C C 1.554 176.502 174.990 -0.070 0.000 1.339 69 C CA 0.363 59.349 59.018 -0.053 0.000 2.150 69 C CB -2.385 25.343 27.740 -0.019 0.000 1.383 69 C HN 1.194 nan 8.230 nan 0.000 0.614 70 G N -0.563 108.172 108.800 -0.108 0.000 3.377 70 G HA2 0.454 4.414 3.960 -0.000 0.000 0.257 70 G HA3 0.454 4.414 3.960 -0.000 0.000 0.257 70 G C 0.223 175.037 174.900 -0.143 0.000 1.038 70 G CA 0.748 45.788 45.100 -0.101 0.000 0.809 70 G HN 0.718 nan 8.290 nan 0.000 0.526 71 S N 0.088 115.650 115.700 -0.231 0.000 2.593 71 S HA 0.368 4.838 4.470 -0.000 0.000 0.297 71 S C 1.568 176.079 174.600 -0.148 0.000 1.112 71 S CA -0.126 57.899 58.200 -0.291 0.000 1.043 71 S CB 1.797 64.526 63.200 -0.786 0.000 1.054 71 S HN 0.549 nan 8.310 nan 0.000 0.516 72 V N -0.604 119.277 119.914 -0.055 0.000 2.636 72 V HA 0.214 4.334 4.120 -0.000 0.000 0.258 72 V C 1.062 177.200 176.094 0.073 0.000 1.092 72 V CA 1.295 63.603 62.300 0.014 0.000 1.110 72 V CB -2.106 29.735 31.823 0.030 0.000 0.685 72 V HN 1.875 nan 8.190 nan 0.000 0.481 73 G N -1.457 107.418 108.800 0.125 0.000 2.629 73 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.686 73 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.686 73 G C -0.506 174.560 174.900 0.277 0.000 1.232 73 G CA -0.256 44.963 45.100 0.197 0.000 0.803 73 G HN 0.437 nan 8.290 nan 0.000 0.638 74 L N 0.892 122.250 121.223 0.226 0.000 2.042 74 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 74 L C 2.996 179.944 176.870 0.130 0.000 1.076 74 L CA 2.651 57.551 54.840 0.101 0.000 0.749 74 L CB -0.820 41.263 42.059 0.040 0.000 0.893 74 L HN 0.890 nan 8.230 nan 0.000 0.432 75 L N -0.265 121.046 121.223 0.147 0.000 2.034 75 L HA -0.212 4.128 4.340 -0.000 0.000 0.217 75 L C 2.332 179.361 176.870 0.265 0.000 1.077 75 L CA 2.357 57.312 54.840 0.192 0.000 0.769 75 L CB -1.503 40.679 42.059 0.206 0.000 0.890 75 L HN 0.316 nan 8.230 nan 0.000 0.435 76 G N -0.619 108.324 108.800 0.238 0.000 2.440 76 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 76 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 76 G C 1.650 176.653 174.900 0.173 0.000 1.154 76 G CA 1.153 46.381 45.100 0.212 0.000 0.767 76 G HN 0.512 nan 8.290 nan 0.000 0.552 77 I N 1.409 122.069 120.570 0.150 0.000 2.179 77 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 77 I C 3.337 179.588 176.117 0.224 0.000 1.088 77 I CA 1.022 62.411 61.300 0.149 0.000 1.357 77 I CB -0.321 37.752 38.000 0.122 0.000 1.051 77 I HN 0.248 nan 8.210 nan 0.000 0.409 78 A N 0.109 123.046 122.820 0.194 0.000 1.948 78 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 78 A C 2.071 179.706 177.584 0.085 0.000 1.177 78 A CA 1.725 53.866 52.037 0.174 0.000 0.636 78 A CB -1.259 17.869 19.000 0.214 0.000 0.815 78 A HN 0.602 nan 8.150 nan 0.000 0.449 79 W N -0.583 120.665 121.300 -0.087 0.000 2.388 79 W HA -0.013 4.647 4.660 0.000 0.000 0.294 79 W C 2.741 179.099 176.519 -0.268 0.000 1.212 79 W CA 0.997 58.095 57.345 -0.412 0.000 1.271 79 W CB 0.015 29.239 29.460 -0.393 0.000 1.126 79 W HN 0.419 nan 8.180 nan 0.000 0.535 80 A N -0.387 122.456 122.820 0.038 0.000 1.902 80 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 80 A C 1.635 179.068 177.584 -0.252 0.000 1.181 80 A CA 1.400 53.345 52.037 -0.152 0.000 0.623 80 A CB -1.139 17.687 19.000 -0.289 0.000 0.818 80 A HN 0.287 nan 8.150 nan 0.000 0.443 81 F N 0.082 119.888 119.950 -0.241 0.000 2.098 81 F HA 0.035 4.562 4.527 -0.000 0.000 0.294 81 F C 2.723 178.484 175.800 -0.064 0.000 1.107 81 F CA 1.359 59.187 58.000 -0.287 0.000 1.234 81 F CB -0.911 37.635 39.000 -0.757 0.000 1.002 81 F HN 0.276 nan 8.300 nan 0.000 0.472 82 G N -0.455 108.386 108.800 0.068 0.000 2.418 82 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 82 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 82 G C 2.011 177.006 174.900 0.157 0.000 1.158 82 G CA 0.829 45.982 45.100 0.089 0.000 0.771 82 G HN 0.518 nan 8.290 nan 0.000 0.545 83 G N 0.279 109.167 108.800 0.147 0.000 2.422 83 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 83 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 83 G C 1.802 176.829 174.900 0.213 0.000 1.146 83 G CA 0.953 46.187 45.100 0.223 0.000 0.769 83 G HN 0.261 nan 8.290 nan 0.000 0.547 84 M N 0.425 120.113 119.600 0.145 0.000 2.200 84 M HA 0.132 4.612 4.480 -0.000 0.000 0.265 84 M C 2.448 178.887 176.300 0.231 0.000 1.066 84 M CA 0.574 55.968 55.300 0.156 0.000 1.127 84 M CB -0.613 32.059 32.600 0.120 0.000 1.379 84 M HN 0.109 nan 8.290 nan 0.000 0.420 85 I N -0.429 120.315 120.570 0.289 0.000 2.315 85 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 85 I C 2.395 178.631 176.117 0.198 0.000 1.117 85 I CA 1.133 62.544 61.300 0.185 0.000 1.404 85 I CB -1.332 36.781 38.000 0.188 0.000 1.071 85 I HN 0.166 nan 8.210 nan 0.000 0.419 86 F N 1.929 121.949 119.950 0.118 0.000 2.069 86 F HA -0.212 4.314 4.527 -0.000 0.000 0.298 86 F C 2.435 178.309 175.800 0.122 0.000 1.113 86 F CA 1.671 59.745 58.000 0.123 0.000 1.214 86 F CB -0.872 38.210 39.000 0.137 0.000 0.978 86 F HN -0.143 nan 8.300 nan 0.000 0.474 87 V N 1.077 120.829 119.914 -0.269 0.000 2.295 87 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 87 V C 2.603 178.624 176.094 -0.121 0.000 1.049 87 V CA 2.181 64.271 62.300 -0.350 0.000 1.024 87 V CB -0.805 30.926 31.823 -0.154 0.000 0.648 87 V HN 0.425 nan 8.190 nan 0.000 0.447 88 L N -0.671 120.533 121.223 -0.031 0.000 2.072 88 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 88 L C 2.452 179.310 176.870 -0.020 0.000 1.079 88 L CA 0.928 55.760 54.840 -0.013 0.000 0.752 88 L CB -0.628 41.432 42.059 0.001 0.000 0.906 88 L HN 0.180 nan 8.230 nan 0.000 0.436 89 V N -0.868 119.044 119.914 -0.004 0.000 2.343 89 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 89 V C 2.254 178.342 176.094 -0.009 0.000 1.051 89 V CA 1.792 64.093 62.300 0.000 0.000 1.036 89 V CB -0.731 31.114 31.823 0.037 0.000 0.654 89 V HN 0.388 nan 8.190 nan 0.000 0.451 90 Y N 0.603 120.821 120.300 -0.137 0.000 2.114 90 Y HA -0.350 4.200 4.550 -0.000 0.000 0.282 90 Y C 2.575 178.403 175.900 -0.119 0.000 1.165 90 Y CA 2.249 60.252 58.100 -0.162 0.000 1.148 90 Y CB -0.543 37.711 38.460 -0.344 0.000 0.972 90 Y HN 0.270 nan 8.280 nan 0.000 0.504 91 C N -0.280 118.995 119.300 -0.043 0.000 2.450 91 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 91 C C 2.512 177.431 174.990 -0.118 0.000 1.335 91 C CA 1.360 60.329 59.018 -0.082 0.000 1.749 91 C CB -1.515 26.226 27.740 0.001 0.000 1.963 91 C HN 0.783 nan 8.230 nan 0.000 0.501 92 T N -0.335 114.162 114.554 -0.096 0.000 3.000 92 T HA 0.395 4.745 4.350 -0.000 0.000 0.233 92 T C 1.839 176.473 174.700 -0.109 0.000 1.036 92 T CA 1.312 63.363 62.100 -0.081 0.000 1.333 92 T CB -1.006 67.830 68.868 -0.055 0.000 1.048 92 T HN 0.796 nan 8.240 nan 0.000 0.425 93 A N 1.812 124.580 122.820 -0.087 0.000 5.172 93 A HA -0.210 4.110 4.320 -0.000 0.000 0.351 93 A C 2.099 179.632 177.584 -0.085 0.000 1.659 93 A CA 2.268 54.248 52.037 -0.095 0.000 0.696 93 A CB -2.141 16.751 19.000 -0.181 0.000 1.492 93 A HN 1.600 nan 8.150 nan 0.000 0.407 94 G N -1.532 107.179 108.800 -0.149 0.000 3.028 94 G HA2 0.335 4.295 3.960 -0.000 0.000 0.205 94 G HA3 0.335 4.295 3.960 -0.000 0.000 0.205 94 G C 0.732 175.582 174.900 -0.083 0.000 1.182 94 G CA 0.964 45.984 45.100 -0.132 0.000 0.860 94 G HN 0.613 nan 8.290 nan 0.000 0.507 95 I N 0.103 120.637 120.570 -0.059 0.000 4.227 95 I HA 0.121 4.291 4.170 -0.000 0.000 0.334 95 I C 1.354 177.478 176.117 0.010 0.000 1.341 95 I CA 0.935 62.222 61.300 -0.020 0.000 1.123 95 I CB 0.014 37.994 38.000 -0.032 0.000 1.097 95 I HN 0.291 nan 8.210 nan 0.000 0.399 96 S N -1.881 113.827 115.700 0.014 0.000 3.784 96 S HA 0.170 4.640 4.470 -0.000 0.000 0.112 96 S C 1.085 175.733 174.600 0.079 0.000 0.832 96 S CA 0.451 58.678 58.200 0.046 0.000 1.313 96 S CB -0.434 62.730 63.200 -0.061 0.000 0.938 96 S HN 0.498 nan 8.310 nan 0.000 0.711 97 G N 1.428 110.280 108.800 0.086 0.000 2.317 97 G HA2 0.224 4.184 3.960 -0.000 0.000 0.227 97 G HA3 0.224 4.184 3.960 -0.000 0.000 0.227 97 G C 1.439 176.474 174.900 0.225 0.000 1.042 97 G CA 0.681 45.896 45.100 0.192 0.000 0.623 97 G HN 2.200 nan 8.290 nan 0.000 0.509 98 G N -0.474 108.440 108.800 0.190 0.000 2.401 98 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.283 98 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.283 98 G C 0.425 175.376 174.900 0.084 0.000 1.117 98 G CA 1.262 46.416 45.100 0.089 0.000 1.051 98 G HN 1.029 nan 8.290 nan 0.000 0.510 99 H N 0.337 119.367 119.070 -0.066 0.000 2.337 99 H HA 0.117 4.673 4.556 -0.000 0.000 0.311 99 H C 2.172 177.447 175.328 -0.089 0.000 1.054 99 H CA 0.598 56.623 56.048 -0.038 0.000 1.385 99 H CB 0.266 30.066 29.762 0.063 0.000 1.437 99 H HN 0.595 nan 8.280 nan 0.000 0.553 100 I N 0.857 121.424 120.570 -0.004 0.000 5.852 100 I HA -0.284 3.886 4.170 -0.000 0.000 0.156 100 I C -0.224 175.808 176.117 -0.141 0.000 1.816 100 I CA 0.546 61.767 61.300 -0.133 0.000 2.055 100 I CB -2.340 35.491 38.000 -0.281 0.000 3.396 100 I HN 0.481 nan 8.210 nan 0.000 0.179 101 N N 0.506 119.198 118.700 -0.014 0.000 3.063 101 N HA 0.273 5.013 4.740 -0.000 0.000 0.242 101 N C -2.229 173.334 175.510 0.088 0.000 1.146 101 N CA -1.058 51.992 53.050 -0.000 0.000 0.974 101 N CB 1.757 40.216 38.487 -0.047 0.000 1.584 101 N HN -0.324 nan 8.380 nan 0.000 0.636 102 P HA -0.045 nan 4.420 nan 0.000 0.219 102 P C 0.911 178.314 177.300 0.171 0.000 1.146 102 P CA 1.361 64.582 63.100 0.202 0.000 0.808 102 P CB 0.348 32.201 31.700 0.254 0.000 0.779 103 A N -0.969 121.940 122.820 0.147 0.000 1.970 103 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 103 A C 2.242 179.875 177.584 0.082 0.000 1.170 103 A CA 1.153 53.253 52.037 0.105 0.000 0.645 103 A CB -1.434 17.672 19.000 0.176 0.000 0.816 103 A HN 0.017 nan 8.150 nan 0.000 0.447 104 V N -0.269 119.671 119.914 0.043 0.000 2.307 104 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 104 V C 2.738 178.831 176.094 -0.002 0.000 1.045 104 V CA 2.489 64.757 62.300 -0.053 0.000 1.024 104 V CB -1.270 30.465 31.823 -0.147 0.000 0.651 104 V HN 0.571 nan 8.190 nan 0.000 0.449 105 T N 0.259 114.920 114.554 0.178 0.000 2.720 105 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 105 T C 1.706 176.539 174.700 0.222 0.000 1.037 105 T CA 2.087 64.386 62.100 0.331 0.000 1.144 105 T CB -0.421 68.660 68.868 0.355 0.000 0.864 105 T HN 0.412 nan 8.240 nan 0.000 0.444 106 F N 2.021 121.942 119.950 -0.049 0.000 2.102 106 F HA 0.066 4.593 4.527 0.000 0.000 0.298 106 F C 2.420 178.245 175.800 0.041 0.000 1.105 106 F CA 1.081 59.010 58.000 -0.118 0.000 1.239 106 F CB -1.022 37.585 39.000 -0.656 0.000 0.991 106 F HN 0.166 nan 8.300 nan 0.000 0.474 107 G N 0.675 109.450 108.800 -0.042 0.000 2.440 107 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 107 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 107 G C 1.827 176.765 174.900 0.063 0.000 1.154 107 G CA 1.183 46.272 45.100 -0.018 0.000 0.767 107 G HN 0.440 nan 8.290 nan 0.000 0.552 108 L N -0.757 120.454 121.223 -0.019 0.000 2.093 108 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 108 L C 2.543 179.455 176.870 0.070 0.000 1.085 108 L CA 0.837 55.680 54.840 0.006 0.000 0.755 108 L CB -0.423 41.629 42.059 -0.012 0.000 0.904 108 L HN 0.258 nan 8.230 nan 0.000 0.435 109 F N 1.090 120.995 119.950 -0.075 0.000 2.134 109 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 109 F C 1.802 177.522 175.800 -0.134 0.000 1.097 109 F CA 1.354 59.296 58.000 -0.096 0.000 1.264 109 F CB -0.243 38.708 39.000 -0.082 0.000 1.001 109 F HN -0.112 nan 8.300 nan 0.000 0.479 110 L N 0.217 121.190 121.223 -0.417 0.000 2.713 110 L HA 0.110 4.450 4.340 -0.000 0.000 0.245 110 L C 1.377 178.079 176.870 -0.279 0.000 1.169 110 L CA 0.577 55.118 54.840 -0.499 0.000 0.962 110 L CB -0.984 40.791 42.059 -0.473 0.000 1.161 110 L HN 0.363 nan 8.230 nan 0.000 0.427 111 A N -0.626 122.073 122.820 -0.202 0.000 2.653 111 A HA 0.167 4.487 4.320 -0.000 0.000 0.248 111 A C 1.110 178.619 177.584 -0.124 0.000 1.211 111 A CA -0.423 51.561 52.037 -0.088 0.000 0.991 111 A CB 0.307 19.376 19.000 0.114 0.000 1.252 111 A HN 0.324 nan 8.150 nan 0.000 0.593 112 R N -0.422 119.940 120.500 -0.231 0.000 3.205 112 R HA -0.144 4.196 4.340 -0.000 0.000 0.249 112 R C -0.631 175.617 176.300 -0.087 0.000 0.937 112 R CA 0.827 56.804 56.100 -0.205 0.000 0.641 112 R CB -0.896 29.287 30.300 -0.194 0.000 1.114 112 R HN 0.193 nan 8.270 nan 0.000 0.451 113 K N 0.520 120.895 120.400 -0.042 0.000 2.619 113 K HA 0.211 4.531 4.320 -0.000 0.000 0.201 113 K C -1.072 175.520 176.600 -0.014 0.000 1.090 113 K CA 0.298 56.574 56.287 -0.018 0.000 1.063 113 K CB 1.184 33.689 32.500 0.008 0.000 0.810 113 K HN 0.228 nan 8.250 nan 0.000 0.506 114 V N -0.195 119.715 119.914 -0.007 0.000 2.874 114 V HA 0.128 4.248 4.120 -0.000 0.000 0.269 114 V C 0.137 176.271 176.094 0.067 0.000 1.359 114 V CA -1.417 60.859 62.300 -0.039 0.000 0.927 114 V CB 0.776 32.570 31.823 -0.048 0.000 1.101 114 V HN 0.222 nan 8.190 nan 0.000 0.469 115 S N 3.785 119.476 115.700 -0.014 0.000 2.572 115 S HA 0.297 4.767 4.470 -0.000 0.000 0.267 115 S C 1.052 175.714 174.600 0.104 0.000 1.361 115 S CA 0.405 58.639 58.200 0.056 0.000 1.009 115 S CB 1.142 64.306 63.200 -0.060 0.000 0.888 115 S HN 1.236 nan 8.310 nan 0.000 0.553 116 L N 1.406 122.730 121.223 0.167 0.000 2.012 116 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 116 L C 2.240 179.044 176.870 -0.111 0.000 1.073 116 L CA 1.837 56.649 54.840 -0.046 0.000 0.748 116 L CB -1.301 40.787 42.059 0.049 0.000 0.891 116 L HN 0.842 nan 8.230 nan 0.000 0.431 117 L N -0.120 121.064 121.223 -0.065 0.000 2.012 117 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 117 L C 2.764 179.563 176.870 -0.119 0.000 1.073 117 L CA 2.137 56.939 54.840 -0.064 0.000 0.748 117 L CB -0.814 41.212 42.059 -0.055 0.000 0.891 117 L HN 0.382 nan 8.230 nan 0.000 0.431 118 R N -0.665 119.675 120.500 -0.268 0.000 2.091 118 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 118 R C 2.188 178.254 176.300 -0.389 0.000 1.136 118 R CA 1.470 57.308 56.100 -0.437 0.000 0.959 118 R CB -0.450 29.444 30.300 -0.676 0.000 0.856 118 R HN 0.530 nan 8.270 nan 0.000 0.437 119 A N 1.230 123.882 122.820 -0.279 0.000 1.892 119 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 119 A C 2.215 179.774 177.584 -0.041 0.000 1.188 119 A CA 1.457 53.392 52.037 -0.171 0.000 0.631 119 A CB -0.673 18.199 19.000 -0.214 0.000 0.822 119 A HN 0.351 nan 8.150 nan 0.000 0.447 120 L N -0.600 120.595 121.223 -0.047 0.000 2.056 120 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 120 L C 2.601 179.539 176.870 0.113 0.000 1.078 120 L CA 1.285 56.147 54.840 0.037 0.000 0.749 120 L CB -0.770 41.301 42.059 0.019 0.000 0.901 120 L HN 0.272 nan 8.230 nan 0.000 0.433 121 V N -0.945 119.047 119.914 0.129 0.000 2.332 121 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 121 V C 2.374 178.642 176.094 0.290 0.000 1.055 121 V CA 1.707 64.127 62.300 0.201 0.000 1.038 121 V CB -0.664 31.297 31.823 0.231 0.000 0.651 121 V HN 0.285 nan 8.190 nan 0.000 0.450 122 Y N -0.388 119.970 120.300 0.097 0.000 2.145 122 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 122 Y C 2.525 178.497 175.900 0.119 0.000 1.145 122 Y CA 1.129 59.282 58.100 0.087 0.000 1.148 122 Y CB -0.802 37.679 38.460 0.035 0.000 0.981 122 Y HN 0.218 nan 8.280 nan 0.000 0.507 123 M N -1.150 118.618 119.600 0.279 0.000 2.213 123 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 123 M C 2.027 178.469 176.300 0.237 0.000 1.062 123 M CA 1.542 56.994 55.300 0.253 0.000 1.105 123 M CB -0.448 32.309 32.600 0.261 0.000 1.385 123 M HN 0.184 nan 8.290 nan 0.000 0.417 124 I N -0.019 120.678 120.570 0.212 0.000 2.286 124 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 124 I C 2.702 178.954 176.117 0.225 0.000 1.104 124 I CA 0.970 62.389 61.300 0.198 0.000 1.397 124 I CB -0.448 37.648 38.000 0.159 0.000 1.072 124 I HN 0.211 nan 8.210 nan 0.000 0.417 125 A N 0.163 123.111 122.820 0.214 0.000 1.972 125 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 125 A C 2.214 179.985 177.584 0.312 0.000 1.169 125 A CA 1.612 53.797 52.037 0.245 0.000 0.635 125 A CB -0.516 18.588 19.000 0.175 0.000 0.810 125 A HN 0.464 nan 8.150 nan 0.000 0.446 126 Q N -1.271 118.669 119.800 0.234 0.000 2.049 126 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 126 Q C 2.277 178.427 176.000 0.250 0.000 0.971 126 Q CA 1.628 57.549 55.803 0.196 0.000 0.833 126 Q CB -0.374 28.457 28.738 0.155 0.000 0.896 126 Q HN 0.724 nan 8.270 nan 0.000 0.434 127 C N 0.447 119.929 119.300 0.303 0.000 2.429 127 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 127 C C 2.511 177.760 174.990 0.431 0.000 1.262 127 C CA 0.533 59.803 59.018 0.420 0.000 1.733 127 C CB -0.945 27.050 27.740 0.425 0.000 2.010 127 C HN 0.478 nan 8.230 nan 0.000 0.483 128 L N 0.787 122.246 121.223 0.393 0.000 2.017 128 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 128 L C 2.845 179.969 176.870 0.422 0.000 1.073 128 L CA 1.866 56.958 54.840 0.420 0.000 0.745 128 L CB -1.249 41.057 42.059 0.410 0.000 0.894 128 L HN 0.492 nan 8.230 nan 0.000 0.432 129 G N -0.467 108.541 108.800 0.347 0.000 2.418 129 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 129 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 129 G C 1.794 176.673 174.900 -0.035 0.000 1.158 129 G CA 0.819 45.827 45.100 -0.154 0.000 0.771 129 G HN 0.462 nan 8.290 nan 0.000 0.545 130 A N 0.934 123.822 122.820 0.113 0.000 1.892 130 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 130 A C 2.414 180.062 177.584 0.107 0.000 1.188 130 A CA 1.580 53.702 52.037 0.141 0.000 0.631 130 A CB -0.448 18.688 19.000 0.227 0.000 0.822 130 A HN 0.394 nan 8.150 nan 0.000 0.447 131 I N -0.674 119.982 120.570 0.144 0.000 2.179 131 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 131 I C 2.566 178.726 176.117 0.072 0.000 1.088 131 I CA 1.316 62.677 61.300 0.102 0.000 1.357 131 I CB -0.491 37.591 38.000 0.137 0.000 1.051 131 I HN 0.407 nan 8.210 nan 0.000 0.409 132 C N 0.802 120.148 119.300 0.076 0.000 2.429 132 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 132 C C 2.977 177.961 174.990 -0.010 0.000 1.262 132 C CA 0.980 60.020 59.018 0.038 0.000 1.733 132 C CB -1.806 25.947 27.740 0.020 0.000 2.010 132 C HN 0.684 nan 8.230 nan 0.000 0.483 133 G N 0.685 109.463 108.800 -0.035 0.000 2.511 133 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 133 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 133 G C 1.656 176.532 174.900 -0.041 0.000 1.218 133 G CA 1.538 46.620 45.100 -0.030 0.000 0.788 133 G HN 0.356 nan 8.290 nan 0.000 0.560 134 V N 1.923 121.803 119.914 -0.058 0.000 2.220 134 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 134 V C 3.226 179.227 176.094 -0.155 0.000 1.056 134 V CA 2.409 64.636 62.300 -0.122 0.000 1.016 134 V CB -1.457 30.337 31.823 -0.049 0.000 0.639 134 V HN 0.491 nan 8.190 nan 0.000 0.446 135 G N -0.676 108.087 108.800 -0.061 0.000 2.547 135 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.221 135 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.221 135 G C 1.629 176.511 174.900 -0.030 0.000 1.140 135 G CA 1.346 46.427 45.100 -0.032 0.000 0.760 135 G HN 0.479 nan 8.290 nan 0.000 0.583 136 L N 0.181 121.398 121.223 -0.010 0.000 2.353 136 L HA -0.044 4.296 4.340 -0.000 0.000 0.220 136 L C 2.661 179.538 176.870 0.012 0.000 1.133 136 L CA 0.407 55.273 54.840 0.044 0.000 0.798 136 L CB 0.030 42.094 42.059 0.009 0.000 0.922 136 L HN 0.195 nan 8.230 nan 0.000 0.445 137 V N -0.848 118.986 119.914 -0.133 0.000 2.492 137 V HA -0.191 3.929 4.120 -0.000 0.000 0.241 137 V C 2.266 178.235 176.094 -0.207 0.000 1.041 137 V CA 1.265 63.422 62.300 -0.238 0.000 1.057 137 V CB -0.237 31.340 31.823 -0.410 0.000 0.711 137 V HN 0.370 nan 8.190 nan 0.000 0.468 138 K N 0.732 120.881 120.400 -0.418 0.000 2.281 138 K HA -0.170 4.150 4.320 -0.000 0.000 0.203 138 K C 1.886 178.490 176.600 0.007 0.000 1.046 138 K CA 1.485 57.580 56.287 -0.320 0.000 0.938 138 K CB -0.149 32.201 32.500 -0.250 0.000 0.737 138 K HN 0.456 nan 8.250 nan 0.000 0.458 139 A N -0.234 122.630 122.820 0.073 0.000 2.021 139 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 139 A C 1.655 179.385 177.584 0.243 0.000 1.163 139 A CA 0.523 52.660 52.037 0.167 0.000 0.676 139 A CB -0.280 18.841 19.000 0.202 0.000 0.818 139 A HN 0.333 nan 8.150 nan 0.000 0.453 140 F N -0.189 119.758 119.950 -0.004 0.000 2.317 140 F HA 0.146 4.673 4.527 -0.000 0.000 0.290 140 F C 1.718 177.527 175.800 0.015 0.000 1.075 140 F CA 0.573 58.582 58.000 0.015 0.000 1.380 140 F CB 0.134 39.157 39.000 0.038 0.000 1.093 140 F HN 0.111 nan 8.300 nan 0.000 0.524 141 M N 0.192 119.916 119.600 0.206 0.000 3.109 141 M HA 0.348 4.828 4.480 -0.000 0.000 0.274 141 M C 0.728 177.132 176.300 0.173 0.000 1.171 141 M CA -0.268 55.122 55.300 0.150 0.000 0.856 141 M CB 0.686 33.354 32.600 0.114 0.000 1.335 141 M HN -0.117 nan 8.290 nan 0.000 0.531 142 K N 2.449 122.942 120.400 0.155 0.000 2.044 142 K HA -0.187 4.133 4.320 -0.000 0.000 0.224 142 K C 1.676 178.401 176.600 0.209 0.000 1.056 142 K CA 3.029 59.420 56.287 0.172 0.000 0.962 142 K CB -0.931 31.640 32.500 0.118 0.000 0.730 142 K HN 0.601 nan 8.250 nan 0.000 0.453 143 G N 0.291 109.192 108.800 0.168 0.000 2.552 143 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 143 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 143 G C -0.892 174.152 174.900 0.240 0.000 1.240 143 G CA 1.142 46.342 45.100 0.167 0.000 0.796 143 G HN 0.413 nan 8.290 nan 0.000 0.568 144 P HA -0.255 nan 4.420 nan 0.000 0.214 144 P C 1.457 179.047 177.300 0.484 0.000 1.164 144 P CA 1.507 64.897 63.100 0.484 0.000 0.942 144 P CB -0.272 31.578 31.700 0.251 0.000 0.791 145 Y N 1.059 121.478 120.300 0.199 0.000 1.520 145 Y HA -0.405 4.146 4.550 0.000 0.000 0.138 145 Y C 2.235 178.257 175.900 0.204 0.000 0.811 145 Y CA 1.880 60.071 58.100 0.152 0.000 0.680 145 Y CB -1.607 36.928 38.460 0.125 0.000 0.665 145 Y HN -0.051 nan 8.280 nan 0.000 0.684 146 N N 0.070 118.775 118.700 0.009 0.000 2.100 146 N HA -0.317 4.423 4.740 -0.000 0.000 0.199 146 N C 1.847 177.421 175.510 0.106 0.000 1.017 146 N CA 2.099 55.202 53.050 0.087 0.000 0.890 146 N CB -0.924 37.618 38.487 0.092 0.000 1.080 146 N HN 0.584 nan 8.380 nan 0.000 0.525 147 Q N -0.213 119.611 119.800 0.040 0.000 2.376 147 Q HA -0.098 4.242 4.340 -0.000 0.000 0.211 147 Q C 0.306 176.168 176.000 -0.229 0.000 0.986 147 Q CA 1.002 56.736 55.803 -0.116 0.000 0.886 147 Q CB -0.063 28.549 28.738 -0.209 0.000 0.927 147 Q HN 0.348 nan 8.270 nan 0.000 0.457 148 F N -1.308 118.638 119.950 -0.006 0.000 2.772 148 F HA 0.297 4.824 4.527 0.000 0.000 0.302 148 F C 1.286 177.021 175.800 -0.109 0.000 1.136 148 F CA 0.485 58.468 58.000 -0.028 0.000 1.322 148 F CB 1.010 40.014 39.000 0.006 0.000 0.967 148 F HN 0.118 nan 8.300 nan 0.000 0.513 149 G N -0.559 108.211 108.800 -0.050 0.000 2.238 149 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 149 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 149 G C 1.333 175.722 174.900 -0.852 0.000 0.996 149 G CA -0.076 44.862 45.100 -0.269 0.000 0.632 149 G HN 1.067 nan 8.290 nan 0.000 0.503 150 G N -0.050 108.162 108.800 -0.981 0.000 2.189 150 G HA2 0.230 4.190 3.960 -0.000 0.000 0.267 150 G HA3 0.230 4.190 3.960 -0.000 0.000 0.267 150 G C 2.037 176.505 174.900 -0.720 0.000 0.975 150 G CA 1.173 45.262 45.100 -1.685 0.000 0.644 150 G HN 2.517 nan 8.290 nan 0.000 0.537 151 G N -0.949 107.628 108.800 -0.372 0.000 2.187 151 G HA2 0.134 4.094 3.960 -0.000 0.000 0.261 151 G HA3 0.134 4.094 3.960 -0.000 0.000 0.261 151 G C 0.858 175.638 174.900 -0.200 0.000 1.000 151 G CA 1.327 46.343 45.100 -0.140 0.000 0.718 151 G HN 2.311 nan 8.290 nan 0.000 0.519 152 A N -0.700 121.889 122.820 -0.384 0.000 2.272 152 A HA 0.716 5.036 4.320 -0.000 0.000 0.275 152 A C 0.274 177.667 177.584 -0.318 0.000 1.096 152 A CA -0.128 51.709 52.037 -0.333 0.000 0.822 152 A CB 0.466 19.238 19.000 -0.381 0.000 1.088 152 A HN 0.430 nan 8.150 nan 0.000 0.495 153 N N -0.100 118.368 118.700 -0.386 0.000 2.479 153 N HA 0.528 5.268 4.740 -0.000 0.000 0.261 153 N C -0.541 174.686 175.510 -0.471 0.000 0.979 153 N CA -0.036 52.642 53.050 -0.620 0.000 0.930 153 N CB 1.719 39.509 38.487 -1.162 0.000 1.172 153 N HN 0.762 nan 8.380 nan 0.000 0.499 154 S N -0.172 115.418 115.700 -0.184 0.000 2.911 154 S HA 0.601 5.071 4.470 -0.000 0.000 0.319 154 S C -0.767 173.945 174.600 0.186 0.000 1.154 154 S CA -0.756 57.499 58.200 0.090 0.000 0.857 154 S CB 0.830 64.059 63.200 0.048 0.000 1.279 154 S HN 0.075 nan 8.310 nan 0.000 0.593 155 V N 1.554 121.564 119.914 0.162 0.000 2.432 155 V HA 0.671 4.791 4.120 -0.000 0.000 0.275 155 V C 0.543 176.713 176.094 0.125 0.000 1.043 155 V CA -0.279 62.106 62.300 0.142 0.000 0.925 155 V CB 0.685 32.577 31.823 0.114 0.000 0.985 155 V HN 1.082 nan 8.190 nan 0.000 0.466 156 A N 5.467 128.383 122.820 0.161 0.000 2.366 156 A HA 0.545 4.865 4.320 -0.000 0.000 0.272 156 A C -0.058 177.605 177.584 0.132 0.000 1.135 156 A CA -0.413 51.715 52.037 0.151 0.000 0.804 156 A CB 0.172 19.285 19.000 0.189 0.000 1.064 156 A HN 0.938 nan 8.150 nan 0.000 0.499 157 L N 2.421 123.665 121.223 0.034 0.000 2.714 157 L HA 0.122 4.462 4.340 -0.000 0.000 0.301 157 L C 1.454 178.204 176.870 -0.199 0.000 1.248 157 L CA 2.226 57.040 54.840 -0.042 0.000 0.885 157 L CB 0.292 42.326 42.059 -0.042 0.000 1.143 157 L HN 1.392 nan 8.230 nan 0.000 0.500 158 G N 1.766 110.433 108.800 -0.222 0.000 3.047 158 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.203 158 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.203 158 G C -0.227 174.466 174.900 -0.344 0.000 1.444 158 G CA 0.015 44.870 45.100 -0.408 0.000 1.020 158 G HN 0.573 nan 8.290 nan 0.000 0.563 159 Y N 2.982 123.284 120.300 0.004 0.000 2.298 159 Y HA 0.538 5.089 4.550 0.000 0.000 0.329 159 Y C 0.991 176.896 175.900 0.009 0.000 1.293 159 Y CA -0.174 57.927 58.100 0.002 0.000 1.388 159 Y CB 0.359 38.815 38.460 -0.006 0.000 1.309 159 Y HN 0.718 nan 8.280 nan 0.000 0.544 160 N N -0.605 118.202 118.700 0.179 0.000 2.530 160 N HA 0.276 5.016 4.740 -0.000 0.000 0.283 160 N C 0.092 175.656 175.510 0.089 0.000 1.238 160 N CA -0.873 52.243 53.050 0.111 0.000 0.971 160 N CB 0.792 39.331 38.487 0.086 0.000 1.195 160 N HN 0.429 nan 8.380 nan 0.000 0.583 161 K N -0.954 119.497 120.400 0.085 0.000 2.147 161 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 161 K C 1.733 178.349 176.600 0.026 0.000 1.049 161 K CA 1.385 57.709 56.287 0.061 0.000 0.936 161 K CB -0.584 32.024 32.500 0.180 0.000 0.722 161 K HN 0.752 nan 8.250 nan 0.000 0.446 162 G N 1.091 109.926 108.800 0.059 0.000 2.408 162 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 162 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 162 G C 1.531 176.430 174.900 -0.001 0.000 1.150 162 G CA 0.934 46.061 45.100 0.044 0.000 0.776 162 G HN 0.187 nan 8.290 nan 0.000 0.542 163 T N 1.594 116.149 114.554 0.001 0.000 2.737 163 T HA 0.032 4.382 4.350 -0.000 0.000 0.265 163 T C 2.838 177.483 174.700 -0.092 0.000 1.038 163 T CA 1.489 63.569 62.100 -0.033 0.000 1.144 163 T CB -0.353 68.519 68.868 0.006 0.000 0.866 163 T HN 0.350 nan 8.240 nan 0.000 0.434 164 A N 1.281 124.044 122.820 -0.096 0.000 1.877 164 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 164 A C 2.249 179.708 177.584 -0.207 0.000 1.186 164 A CA 1.435 53.380 52.037 -0.153 0.000 0.620 164 A CB -0.898 18.006 19.000 -0.159 0.000 0.822 164 A HN 0.414 nan 8.150 nan 0.000 0.443 165 L N 0.084 121.176 121.223 -0.219 0.000 2.046 165 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 165 L C 2.410 179.208 176.870 -0.121 0.000 1.077 165 L CA 2.372 57.077 54.840 -0.225 0.000 0.747 165 L CB -0.981 40.977 42.059 -0.168 0.000 0.896 165 L HN 0.310 nan 8.230 nan 0.000 0.432 166 G N -1.258 107.492 108.800 -0.083 0.000 2.422 166 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 166 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 166 G C 1.569 176.427 174.900 -0.070 0.000 1.146 166 G CA 0.720 45.784 45.100 -0.060 0.000 0.769 166 G HN 0.624 nan 8.290 nan 0.000 0.547 167 A N 0.486 123.248 122.820 -0.097 0.000 1.968 167 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 167 A C 2.220 179.760 177.584 -0.074 0.000 1.169 167 A CA 1.638 53.615 52.037 -0.100 0.000 0.638 167 A CB -0.194 18.719 19.000 -0.145 0.000 0.812 167 A HN 0.281 nan 8.150 nan 0.000 0.446 168 E N -0.013 120.139 120.200 -0.081 0.000 2.106 168 E HA -0.109 4.240 4.350 -0.000 0.000 0.192 168 E C 1.942 178.546 176.600 0.006 0.000 0.984 168 E CA 0.842 57.214 56.400 -0.046 0.000 0.806 168 E CB -0.321 29.315 29.700 -0.105 0.000 0.750 168 E HN 0.721 nan 8.360 nan 0.000 0.458 169 I N 1.020 121.592 120.570 0.004 0.000 2.142 169 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 169 I C 2.541 178.717 176.117 0.098 0.000 1.078 169 I CA 0.898 62.233 61.300 0.059 0.000 1.343 169 I CB -0.132 37.890 38.000 0.035 0.000 1.046 169 I HN 0.091 nan 8.210 nan 0.000 0.405 170 I N 0.667 121.262 120.570 0.043 0.000 2.252 170 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 170 I C 2.514 178.708 176.117 0.129 0.000 1.102 170 I CA 1.711 63.045 61.300 0.058 0.000 1.385 170 I CB -0.980 37.007 38.000 -0.022 0.000 1.064 170 I HN 0.267 nan 8.210 nan 0.000 0.414 171 G N -0.048 108.791 108.800 0.064 0.000 2.440 171 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 171 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 171 G C 1.553 176.514 174.900 0.102 0.000 1.154 171 G CA 1.472 46.604 45.100 0.053 0.000 0.767 171 G HN 0.337 nan 8.290 nan 0.000 0.552 172 T N 0.407 115.035 114.554 0.122 0.000 2.904 172 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 172 T C 1.893 176.702 174.700 0.182 0.000 1.059 172 T CA 0.764 62.948 62.100 0.140 0.000 1.137 172 T CB -0.222 68.735 68.868 0.148 0.000 0.879 172 T HN 0.245 nan 8.240 nan 0.000 0.467 173 F N 2.114 122.123 119.950 0.099 0.000 2.095 173 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 173 F C 2.225 178.132 175.800 0.179 0.000 1.104 173 F CA 1.017 59.089 58.000 0.120 0.000 1.232 173 F CB -0.602 38.426 39.000 0.047 0.000 0.987 173 F HN -0.102 nan 8.300 nan 0.000 0.475 174 V N 0.545 120.629 119.914 0.283 0.000 2.287 174 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 174 V C 2.354 178.520 176.094 0.121 0.000 1.053 174 V CA 1.896 64.337 62.300 0.235 0.000 1.027 174 V CB -0.894 31.048 31.823 0.198 0.000 0.646 174 V HN 0.490 nan 8.190 nan 0.000 0.447 175 L N 0.036 121.316 121.223 0.095 0.000 1.994 175 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 175 L C 2.300 179.184 176.870 0.023 0.000 1.071 175 L CA 2.111 56.988 54.840 0.062 0.000 0.745 175 L CB -0.564 41.537 42.059 0.070 0.000 0.892 175 L HN 0.128 nan 8.230 nan 0.000 0.431 176 V N -1.050 118.878 119.914 0.024 0.000 2.591 176 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 176 V C 2.293 178.467 176.094 0.134 0.000 1.053 176 V CA 1.435 63.749 62.300 0.023 0.000 1.068 176 V CB -1.039 30.828 31.823 0.073 0.000 0.689 176 V HN 0.600 nan 8.190 nan 0.000 0.462 177 Y N 2.178 122.400 120.300 -0.130 0.000 2.165 177 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 177 Y C 2.572 178.522 175.900 0.083 0.000 1.155 177 Y CA 2.073 60.135 58.100 -0.063 0.000 1.164 177 Y CB -0.963 37.285 38.460 -0.353 0.000 0.978 177 Y HN 0.299 nan 8.280 nan 0.000 0.513 178 T N -0.281 114.203 114.554 -0.117 0.000 2.777 178 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 178 T C 2.240 176.878 174.700 -0.103 0.000 1.040 178 T CA 1.559 63.555 62.100 -0.173 0.000 1.141 178 T CB -0.851 67.973 68.868 -0.072 0.000 0.868 178 T HN 0.185 nan 8.240 nan 0.000 0.444 179 V N 0.960 120.818 119.914 -0.093 0.000 2.287 179 V HA -0.172 3.947 4.120 -0.000 0.000 0.248 179 V C 2.177 178.146 176.094 -0.208 0.000 1.053 179 V CA 1.721 63.914 62.300 -0.180 0.000 1.027 179 V CB -0.818 30.829 31.823 -0.292 0.000 0.646 179 V HN 0.349 nan 8.190 nan 0.000 0.447 180 F N 1.158 121.046 119.950 -0.102 0.000 2.126 180 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 180 F C 2.615 178.294 175.800 -0.201 0.000 1.096 180 F CA 1.967 59.848 58.000 -0.198 0.000 1.255 180 F CB -0.717 38.178 39.000 -0.174 0.000 0.997 180 F HN 0.110 nan 8.300 nan 0.000 0.479 181 S N -0.688 115.065 115.700 0.088 0.000 2.522 181 S HA 0.080 4.550 4.470 -0.000 0.000 0.227 181 S C 1.809 176.395 174.600 -0.023 0.000 0.986 181 S CA 0.584 58.807 58.200 0.039 0.000 0.929 181 S CB -0.353 62.821 63.200 -0.044 0.000 0.769 181 S HN 0.302 nan 8.310 nan 0.000 0.529 182 A N 1.378 124.165 122.820 -0.055 0.000 2.337 182 A HA 0.329 4.649 4.320 -0.000 0.000 0.227 182 A C 0.640 178.188 177.584 -0.059 0.000 1.259 182 A CA -0.124 51.881 52.037 -0.052 0.000 0.870 182 A CB -0.121 18.845 19.000 -0.057 0.000 0.927 182 A HN 0.295 nan 8.150 nan 0.000 0.497 183 T N 1.180 115.696 114.554 -0.064 0.000 2.867 183 T HA 0.536 4.886 4.350 -0.000 0.000 0.282 183 T C -1.001 173.681 174.700 -0.029 0.000 1.000 183 T CA -0.448 61.615 62.100 -0.060 0.000 1.042 183 T CB 1.364 70.186 68.868 -0.077 0.000 0.973 183 T HN 0.298 nan 8.240 nan 0.000 0.465 184 D N 2.093 122.480 120.400 -0.022 0.000 2.645 184 D HA 0.315 4.955 4.640 -0.000 0.000 0.228 184 D C -1.986 174.309 176.300 -0.008 0.000 1.148 184 D CA -1.433 52.561 54.000 -0.010 0.000 0.860 184 D CB 1.972 42.769 40.800 -0.005 0.000 1.548 184 D HN 0.248 nan 8.370 nan 0.000 0.460 185 P HA 0.141 nan 4.420 nan 0.000 0.253 185 P C -0.593 176.706 177.300 -0.001 0.000 1.508 185 P CA -0.034 63.064 63.100 -0.003 0.000 0.883 185 P CB 0.039 31.739 31.700 0.000 0.000 1.519 186 K N 1.215 121.614 120.400 -0.002 0.000 2.357 186 K HA 0.392 4.711 4.320 -0.000 0.000 0.251 186 K C 0.482 177.080 176.600 -0.004 0.000 1.069 186 K CA -0.380 55.907 56.287 0.000 0.000 0.994 186 K CB 1.399 33.901 32.500 0.004 0.000 1.411 186 K HN -0.075 nan 8.250 nan 0.000 0.450 187 R N 1.087 121.586 120.500 -0.001 0.000 2.483 187 R HA 0.001 4.341 4.340 -0.000 0.000 0.170 187 R C 0.291 176.593 176.300 0.003 0.000 0.555 187 R CA 0.100 56.199 56.100 -0.002 0.000 0.781 187 R CB -0.042 30.251 30.300 -0.012 0.000 1.238 187 R HN 0.415 nan 8.270 nan 0.000 0.549 188 S N -0.704 114.999 115.700 0.005 0.000 2.481 188 S HA 0.126 4.596 4.470 -0.000 0.000 0.231 188 S C 1.225 175.831 174.600 0.010 0.000 0.996 188 S CA 1.335 59.538 58.200 0.005 0.000 0.942 188 S CB 0.350 63.553 63.200 0.004 0.000 0.768 188 S HN 0.558 nan 8.310 nan 0.000 0.520 189 A N 1.168 123.998 122.820 0.017 0.000 2.042 189 A HA 0.512 4.832 4.320 -0.000 0.000 0.204 189 A C 0.592 178.203 177.584 0.045 0.000 1.712 189 A CA -0.239 51.813 52.037 0.026 0.000 0.890 189 A CB 0.362 19.378 19.000 0.027 0.000 1.176 189 A HN 0.506 nan 8.150 nan 0.000 0.573 190 R N -0.622 119.913 120.500 0.058 0.000 2.709 190 R HA 0.617 4.957 4.340 -0.000 0.000 0.270 190 R C -2.580 173.741 176.300 0.035 0.000 1.038 190 R CA -0.472 55.683 56.100 0.090 0.000 0.872 190 R CB 0.719 31.156 30.300 0.229 0.000 1.259 190 R HN 0.195 nan 8.270 nan 0.000 0.473 191 D N -0.995 119.343 120.400 -0.103 0.000 2.626 191 D HA 0.483 5.123 4.640 -0.000 0.000 0.278 191 D C -0.246 175.716 176.300 -0.563 0.000 1.211 191 D CA 0.682 54.554 54.000 -0.213 0.000 0.903 191 D CB 2.203 42.928 40.800 -0.126 0.000 1.408 191 D HN 0.652 nan 8.370 nan 0.000 0.454 192 S N -0.449 114.973 115.700 -0.463 0.000 1.794 192 S HA -0.178 4.292 4.470 -0.000 0.000 0.246 192 S C -0.766 173.536 174.600 -0.497 0.000 1.023 192 S CA 0.934 58.811 58.200 -0.539 0.000 1.311 192 S CB -1.581 61.279 63.200 -0.568 0.000 1.603 192 S HN 0.696 nan 8.310 nan 0.000 0.545 193 H N -0.685 118.319 119.070 -0.110 0.000 2.651 193 H HA 0.770 5.326 4.556 -0.000 0.000 0.252 193 H C -0.714 174.610 175.328 -0.006 0.000 1.365 193 H CA -0.337 55.686 56.048 -0.042 0.000 1.539 193 H CB 0.241 29.991 29.762 -0.020 0.000 1.621 193 H HN 0.208 nan 8.280 nan 0.000 0.526 194 V N 2.455 122.425 119.914 0.093 0.000 3.159 194 V HA 0.252 4.372 4.120 -0.000 0.000 0.308 194 V C -1.849 174.296 176.094 0.085 0.000 1.190 194 V CA -2.203 60.145 62.300 0.079 0.000 1.037 194 V CB 2.782 34.625 31.823 0.033 0.000 1.060 194 V HN 0.528 nan 8.190 nan 0.000 0.437 195 P HA -0.077 nan 4.420 nan 0.000 0.122 195 P C 0.098 177.444 177.300 0.077 0.000 1.017 195 P CA 0.182 63.321 63.100 0.065 0.000 0.989 195 P CB -0.938 30.789 31.700 0.045 0.000 1.568 196 I N 0.488 121.126 120.570 0.113 0.000 2.857 196 I HA -0.288 3.882 4.170 -0.000 0.000 0.180 196 I C 1.576 177.760 176.117 0.112 0.000 0.909 196 I CA 1.443 62.832 61.300 0.148 0.000 2.666 196 I CB -0.500 37.599 38.000 0.165 0.000 0.664 196 I HN 0.356 nan 8.210 nan 0.000 0.357 197 L N 4.056 125.359 121.223 0.133 0.000 1.309 197 L HA 0.061 4.401 4.340 -0.000 0.000 0.059 197 L C 1.760 178.705 176.870 0.125 0.000 1.564 197 L CA 0.399 55.294 54.840 0.092 0.000 1.088 197 L CB -1.096 40.992 42.059 0.048 0.000 2.160 197 L HN 0.519 nan 8.230 nan 0.000 0.431 198 A N 0.802 123.683 122.820 0.102 0.000 2.039 198 A HA -0.264 4.056 4.320 -0.000 0.000 0.228 198 A C -0.889 176.788 177.584 0.156 0.000 1.379 198 A CA 3.056 55.149 52.037 0.093 0.000 0.704 198 A CB -2.031 17.004 19.000 0.060 0.000 0.831 198 A HN 0.460 nan 8.150 nan 0.000 0.514 199 P HA 0.095 nan 4.420 nan 0.000 0.223 199 P C 1.414 178.994 177.300 0.466 0.000 1.148 199 P CA 0.066 63.438 63.100 0.453 0.000 0.870 199 P CB 0.010 32.077 31.700 0.612 0.000 0.859 200 L N 0.320 121.673 121.223 0.216 0.000 2.127 200 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 200 L C -0.746 176.162 176.870 0.063 0.000 1.089 200 L CA 2.373 57.136 54.840 -0.128 0.000 0.757 200 L CB -2.085 39.842 42.059 -0.219 0.000 0.899 200 L HN -0.035 nan 8.230 nan 0.000 0.434 201 P HA -0.111 nan 4.420 nan 0.000 0.215 201 P C 2.102 179.497 177.300 0.158 0.000 1.157 201 P CA 1.646 64.793 63.100 0.078 0.000 0.863 201 P CB 0.152 31.870 31.700 0.031 0.000 0.787 202 I N -1.638 119.028 120.570 0.160 0.000 2.333 202 I HA -0.072 4.098 4.170 -0.000 0.000 0.246 202 I C 2.500 178.755 176.117 0.230 0.000 1.106 202 I CA 1.217 62.614 61.300 0.162 0.000 1.411 202 I CB -1.318 36.753 38.000 0.119 0.000 1.082 202 I HN -0.043 nan 8.210 nan 0.000 0.420 203 G N 1.440 110.415 108.800 0.291 0.000 2.703 203 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.222 203 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.222 203 G C 1.539 176.569 174.900 0.218 0.000 1.183 203 G CA 1.354 46.635 45.100 0.301 0.000 0.775 203 G HN 0.230 nan 8.290 nan 0.000 0.615 204 F N 1.670 121.686 119.950 0.110 0.000 2.102 204 F HA 0.100 4.627 4.527 0.000 0.000 0.298 204 F C 3.098 178.964 175.800 0.109 0.000 1.105 204 F CA 1.132 59.213 58.000 0.135 0.000 1.239 204 F CB -0.592 38.456 39.000 0.080 0.000 0.991 204 F HN 0.252 nan 8.300 nan 0.000 0.474 205 A N -0.664 122.302 122.820 0.244 0.000 2.076 205 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 205 A C 2.255 179.921 177.584 0.138 0.000 1.160 205 A CA 1.820 53.947 52.037 0.150 0.000 0.653 205 A CB -1.014 18.051 19.000 0.108 0.000 0.801 205 A HN 0.240 nan 8.150 nan 0.000 0.455 206 V N -1.698 118.316 119.914 0.166 0.000 2.492 206 V HA -0.062 4.058 4.120 -0.000 0.000 0.241 206 V C 2.098 178.332 176.094 0.234 0.000 1.041 206 V CA 1.274 63.702 62.300 0.213 0.000 1.057 206 V CB -0.793 31.169 31.823 0.231 0.000 0.711 206 V HN 0.612 nan 8.190 nan 0.000 0.468 207 F N 0.943 120.832 119.950 -0.101 0.000 2.065 207 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 207 F C 2.344 178.025 175.800 -0.198 0.000 1.112 207 F CA 1.922 59.745 58.000 -0.294 0.000 1.212 207 F CB -0.513 38.077 39.000 -0.683 0.000 0.975 207 F HN 0.045 nan 8.300 nan 0.000 0.476 208 M N -0.066 119.391 119.600 -0.238 0.000 2.080 208 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 208 M C 2.303 178.511 176.300 -0.154 0.000 1.068 208 M CA 1.417 56.533 55.300 -0.307 0.000 1.109 208 M CB -1.614 30.905 32.600 -0.134 0.000 1.342 208 M HN 0.080 nan 8.290 nan 0.000 0.405 209 V N -0.499 119.398 119.914 -0.027 0.000 2.490 209 V HA -0.265 3.854 4.120 -0.000 0.000 0.250 209 V C 2.354 178.395 176.094 -0.088 0.000 1.061 209 V CA 1.511 63.790 62.300 -0.036 0.000 1.064 209 V CB -1.084 30.743 31.823 0.006 0.000 0.670 209 V HN 0.471 nan 8.190 nan 0.000 0.461 210 H N -0.605 118.385 119.070 -0.135 0.000 2.428 210 H HA -0.003 4.553 4.556 0.000 0.000 0.296 210 H C 2.311 177.541 175.328 -0.164 0.000 1.062 210 H CA 1.360 57.313 56.048 -0.159 0.000 1.350 210 H CB 0.123 29.806 29.762 -0.131 0.000 1.403 210 H HN 0.359 nan 8.280 nan 0.000 0.533 211 L N 0.158 121.319 121.223 -0.104 0.000 2.131 211 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 211 L C 2.794 179.587 176.870 -0.129 0.000 1.092 211 L CA 0.948 55.692 54.840 -0.160 0.000 0.759 211 L CB -0.292 41.581 42.059 -0.310 0.000 0.903 211 L HN 0.227 nan 8.230 nan 0.000 0.435 212 A N -1.171 121.570 122.820 -0.132 0.000 1.975 212 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 212 A C 2.197 179.701 177.584 -0.134 0.000 1.170 212 A CA 1.602 53.569 52.037 -0.118 0.000 0.656 212 A CB -0.312 18.623 19.000 -0.107 0.000 0.821 212 A HN 0.334 nan 8.150 nan 0.000 0.449 213 T N -0.671 113.786 114.554 -0.162 0.000 2.990 213 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 213 T C 1.631 176.208 174.700 -0.205 0.000 1.041 213 T CA 0.109 62.090 62.100 -0.197 0.000 1.010 213 T CB -0.125 68.607 68.868 -0.227 0.000 1.003 213 T HN 0.308 nan 8.240 nan 0.000 0.499 214 I N 1.945 122.403 120.570 -0.186 0.000 2.151 214 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 214 I C -0.751 175.303 176.117 -0.106 0.000 1.080 214 I CA 1.556 62.761 61.300 -0.157 0.000 1.339 214 I CB -0.904 37.037 38.000 -0.098 0.000 1.039 214 I HN 0.180 nan 8.210 nan 0.000 0.409 215 P HA -0.129 nan 4.420 nan 0.000 0.219 215 P C 1.797 179.094 177.300 -0.004 0.000 1.150 215 P CA 1.173 64.266 63.100 -0.010 0.000 0.814 215 P CB 0.108 31.820 31.700 0.019 0.000 0.787 216 I N -0.832 119.636 120.570 -0.171 0.000 2.162 216 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 216 I C 1.118 177.176 176.117 -0.098 0.000 1.076 216 I CA 2.211 63.322 61.300 -0.316 0.000 1.353 216 I CB -1.171 36.580 38.000 -0.415 0.000 1.063 216 I HN 0.105 nan 8.210 nan 0.000 0.408 217 T N -3.297 111.211 114.554 -0.078 0.000 3.794 217 T HA 0.415 4.765 4.350 -0.000 0.000 0.300 217 T C 1.032 175.662 174.700 -0.116 0.000 0.961 217 T CA 0.202 62.307 62.100 0.009 0.000 1.025 217 T CB 0.251 69.246 68.868 0.212 0.000 1.175 217 T HN 0.509 nan 8.240 nan 0.000 0.474 218 G N 1.500 110.202 108.800 -0.163 0.000 2.238 218 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.270 218 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.270 218 G C 0.427 175.096 174.900 -0.386 0.000 0.977 218 G CA 0.606 45.559 45.100 -0.244 0.000 0.639 218 G HN 1.680 nan 8.290 nan 0.000 0.544 219 T N -1.999 112.344 114.554 -0.350 0.000 0.709 219 T HA 0.114 4.464 4.350 -0.000 0.000 0.756 219 T C 1.447 175.879 174.700 -0.446 0.000 0.989 219 T CA 1.510 63.339 62.100 -0.451 0.000 3.990 219 T CB -1.257 67.098 68.868 -0.855 0.000 2.255 219 T HN 1.763 nan 8.240 nan 0.000 0.391 220 G N 2.221 110.893 108.800 -0.214 0.000 2.789 220 G HA2 0.418 4.377 3.960 -0.000 0.000 0.207 220 G HA3 0.418 4.377 3.960 -0.000 0.000 0.207 220 G C 1.303 176.179 174.900 -0.040 0.000 1.153 220 G CA 0.328 45.337 45.100 -0.151 0.000 0.847 220 G HN 1.895 nan 8.290 nan 0.000 0.615 221 I N -0.890 119.690 120.570 0.016 0.000 5.253 221 I HA -0.272 3.897 4.170 -0.000 0.000 0.148 221 I C -0.659 175.493 176.117 0.057 0.000 1.456 221 I CA 1.178 62.502 61.300 0.042 0.000 2.570 221 I CB -1.605 36.411 38.000 0.026 0.000 2.585 221 I HN 0.250 nan 8.210 nan 0.000 0.337 222 N N 0.518 119.235 118.700 0.029 0.000 3.321 222 N HA 0.292 5.032 4.740 -0.000 0.000 0.217 222 N C -2.127 173.325 175.510 -0.096 0.000 1.405 222 N CA -1.179 51.880 53.050 0.014 0.000 0.799 222 N CB 1.204 39.752 38.487 0.101 0.000 1.619 222 N HN -0.166 nan 8.380 nan 0.000 0.648 223 P HA -0.054 nan 4.420 nan 0.000 0.218 223 P C 1.079 178.085 177.300 -0.490 0.000 1.148 223 P CA 1.472 64.079 63.100 -0.823 0.000 0.822 223 P CB 0.402 31.101 31.700 -1.667 0.000 0.784 224 A N -0.037 122.688 122.820 -0.157 0.000 1.898 224 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 224 A C 2.406 180.112 177.584 0.204 0.000 1.181 224 A CA 1.248 53.362 52.037 0.129 0.000 0.620 224 A CB -1.076 18.017 19.000 0.154 0.000 0.819 224 A HN -0.010 nan 8.150 nan 0.000 0.442 225 R N 0.355 120.957 120.500 0.171 0.000 2.091 225 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 225 R C 2.069 178.435 176.300 0.110 0.000 1.136 225 R CA 2.142 58.380 56.100 0.229 0.000 0.959 225 R CB -0.623 29.896 30.300 0.364 0.000 0.856 225 R HN 0.463 nan 8.270 nan 0.000 0.437 226 S N 0.436 116.154 115.700 0.030 0.000 2.368 226 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 226 S C 1.498 176.165 174.600 0.112 0.000 1.029 226 S CA 1.129 59.298 58.200 -0.051 0.000 0.988 226 S CB -0.413 62.722 63.200 -0.108 0.000 0.838 226 S HN 0.386 nan 8.310 nan 0.000 0.462 227 F N 2.660 122.678 119.950 0.113 0.000 2.075 227 F HA -0.002 4.524 4.527 -0.000 0.000 0.297 227 F C 2.352 178.261 175.800 0.180 0.000 1.113 227 F CA 1.331 59.495 58.000 0.273 0.000 1.218 227 F CB -1.106 38.210 39.000 0.526 0.000 0.984 227 F HN 0.223 nan 8.300 nan 0.000 0.472 228 G N -0.300 108.611 108.800 0.185 0.000 2.513 228 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 228 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 228 G C 1.744 176.632 174.900 -0.021 0.000 1.160 228 G CA 1.062 46.193 45.100 0.052 0.000 0.767 228 G HN 0.626 nan 8.290 nan 0.000 0.571 229 A N 0.559 123.371 122.820 -0.013 0.000 2.021 229 A HA 0.537 4.857 4.320 -0.000 0.000 0.216 229 A C 2.735 180.277 177.584 -0.070 0.000 1.163 229 A CA 1.637 53.676 52.037 0.004 0.000 0.676 229 A CB -0.476 18.510 19.000 -0.023 0.000 0.818 229 A HN 0.729 nan 8.150 nan 0.000 0.453 230 A N -0.198 122.474 122.820 -0.246 0.000 1.902 230 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 230 A C 2.191 179.421 177.584 -0.590 0.000 1.181 230 A CA 1.813 53.478 52.037 -0.619 0.000 0.623 230 A CB -0.942 17.487 19.000 -0.951 0.000 0.818 230 A HN 0.345 nan 8.150 nan 0.000 0.443 231 V N 0.600 120.314 119.914 -0.334 0.000 2.255 231 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 231 V C 2.436 178.577 176.094 0.078 0.000 1.051 231 V CA 1.951 64.242 62.300 -0.015 0.000 1.018 231 V CB -0.619 31.103 31.823 -0.167 0.000 0.641 231 V HN 0.528 nan 8.190 nan 0.000 0.445 232 I N -1.130 119.487 120.570 0.079 0.000 2.353 232 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 232 I C 2.288 178.580 176.117 0.292 0.000 1.119 232 I CA 1.734 63.145 61.300 0.186 0.000 1.417 232 I CB -1.046 37.065 38.000 0.187 0.000 1.078 232 I HN 0.330 nan 8.210 nan 0.000 0.421 233 F N 2.138 122.122 119.950 0.057 0.000 2.234 233 F HA -0.020 4.507 4.527 -0.000 0.000 0.296 233 F C 1.182 176.951 175.800 -0.051 0.000 1.089 233 F CA 0.602 58.572 58.000 -0.050 0.000 1.343 233 F CB -0.188 38.701 39.000 -0.185 0.000 1.040 233 F HN 0.193 nan 8.300 nan 0.000 0.498 234 N N 0.754 119.409 118.700 -0.075 0.000 2.671 234 N HA -0.222 4.518 4.740 -0.000 0.000 0.261 234 N C -0.784 174.656 175.510 -0.118 0.000 1.053 234 N CA 0.801 53.857 53.050 0.010 0.000 0.732 234 N CB -1.232 37.328 38.487 0.122 0.000 0.887 234 N HN 0.425 nan 8.380 nan 0.000 0.546 235 S N 0.095 115.681 115.700 -0.190 0.000 2.532 235 S HA 0.543 5.013 4.470 -0.000 0.000 0.301 235 S C 1.215 175.874 174.600 0.099 0.000 1.083 235 S CA -0.653 57.459 58.200 -0.147 0.000 1.025 235 S CB 1.185 64.222 63.200 -0.271 0.000 1.056 235 S HN 0.249 nan 8.310 nan 0.000 0.494 236 N N 2.774 121.553 118.700 0.131 0.000 2.142 236 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 236 N C 1.551 177.183 175.510 0.202 0.000 1.023 236 N CA 0.976 54.153 53.050 0.212 0.000 0.852 236 N CB -0.397 38.170 38.487 0.133 0.000 0.998 236 N HN 0.751 nan 8.380 nan 0.000 0.424 237 K N 1.233 121.716 120.400 0.137 0.000 2.074 237 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 237 K C 1.790 178.483 176.600 0.156 0.000 1.048 237 K CA 1.009 57.379 56.287 0.139 0.000 0.926 237 K CB 0.094 32.659 32.500 0.108 0.000 0.713 237 K HN -0.080 nan 8.250 nan 0.000 0.444 238 V N -0.335 119.648 119.914 0.114 0.000 2.453 238 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 238 V C 1.718 177.857 176.094 0.075 0.000 1.048 238 V CA 1.558 63.886 62.300 0.046 0.000 1.049 238 V CB -0.506 31.296 31.823 -0.036 0.000 0.672 238 V HN 0.450 nan 8.190 nan 0.000 0.457 239 W N 0.146 121.549 121.300 0.171 0.000 2.402 239 W HA -0.128 4.531 4.660 -0.001 0.000 0.286 239 W C 2.245 178.891 176.519 0.212 0.000 1.221 239 W CA 0.854 58.310 57.345 0.184 0.000 1.257 239 W CB -0.203 29.337 29.460 0.134 0.000 1.120 239 W HN 0.247 nan 8.180 nan 0.000 0.551 240 D N -0.087 120.564 120.400 0.420 0.000 2.144 240 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 240 D C 1.374 177.917 176.300 0.405 0.000 0.978 240 D CA 1.333 55.545 54.000 0.354 0.000 0.833 240 D CB -0.349 40.606 40.800 0.259 0.000 0.961 240 D HN 0.048 nan 8.370 nan 0.000 0.470 241 D N -0.434 120.156 120.400 0.316 0.000 2.355 241 D HA -0.065 4.574 4.640 -0.000 0.000 0.218 241 D C 1.802 178.186 176.300 0.140 0.000 1.004 241 D CA 0.180 54.297 54.000 0.196 0.000 0.880 241 D CB 0.045 40.979 40.800 0.223 0.000 0.911 241 D HN 0.134 nan 8.370 nan 0.000 0.528 242 Q N 0.771 120.795 119.800 0.373 0.000 2.135 242 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 242 Q C 2.019 178.268 176.000 0.414 0.000 0.981 242 Q CA 1.372 57.478 55.803 0.504 0.000 0.856 242 Q CB -0.454 28.654 28.738 0.616 0.000 0.902 242 Q HN 0.541 nan 8.270 nan 0.000 0.425 243 W N 0.051 121.507 121.300 0.260 0.000 2.325 243 W HA -0.186 4.474 4.660 -0.000 0.000 0.299 243 W C 1.327 177.883 176.519 0.062 0.000 1.215 243 W CA 0.818 58.261 57.345 0.164 0.000 1.244 243 W CB -1.063 28.436 29.460 0.066 0.000 1.140 243 W HN 0.176 nan 8.180 nan 0.000 0.523 244 I N 0.367 120.220 120.570 -1.194 0.000 2.335 244 I HA -0.297 3.873 4.170 -0.000 0.000 0.251 244 I C 1.988 177.571 176.117 -0.890 0.000 1.129 244 I CA 1.591 62.056 61.300 -1.393 0.000 1.402 244 I CB -0.704 36.266 38.000 -1.717 0.000 1.069 244 I HN -0.220 nan 8.210 nan 0.000 0.424 245 F N -1.466 118.387 119.950 -0.163 0.000 2.811 245 F HA -0.010 4.517 4.527 -0.000 0.000 0.301 245 F C 1.446 177.101 175.800 -0.242 0.000 1.151 245 F CA 0.241 58.150 58.000 -0.152 0.000 1.412 245 F CB -0.518 38.404 39.000 -0.130 0.000 1.113 245 F HN 0.080 nan 8.300 nan 0.000 0.579 246 W N -1.907 119.358 121.300 -0.058 0.000 2.850 246 W HA 0.164 4.824 4.660 -0.000 0.000 0.260 246 W C 2.082 178.472 176.519 -0.216 0.000 1.129 246 W CA 0.476 57.707 57.345 -0.190 0.000 1.587 246 W CB -0.661 28.647 29.460 -0.253 0.000 1.041 246 W HN -0.387 nan 8.180 nan 0.000 0.614 247 V N 0.423 120.408 119.914 0.118 0.000 2.346 247 V HA -0.082 4.038 4.120 -0.000 0.000 0.244 247 V C 2.293 178.462 176.094 0.125 0.000 1.037 247 V CA 2.185 64.573 62.300 0.145 0.000 1.029 247 V CB -1.422 30.573 31.823 0.287 0.000 0.663 247 V HN 0.288 nan 8.190 nan 0.000 0.454 248 G N 0.886 109.689 108.800 0.003 0.000 2.459 248 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 248 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 248 G C -0.283 174.683 174.900 0.110 0.000 1.183 248 G CA 1.250 46.351 45.100 0.002 0.000 0.776 248 G HN 0.499 nan 8.290 nan 0.000 0.552 249 P HA -0.012 nan 4.420 nan 0.000 0.217 249 P C 1.464 178.995 177.300 0.385 0.000 1.150 249 P CA 0.580 63.814 63.100 0.224 0.000 0.832 249 P CB -0.079 31.729 31.700 0.179 0.000 0.787 250 F N -0.717 119.295 119.950 0.103 0.000 2.134 250 F HA -0.131 4.396 4.527 0.000 0.000 0.299 250 F C 2.285 178.283 175.800 0.330 0.000 1.097 250 F CA 0.693 58.787 58.000 0.156 0.000 1.264 250 F CB -1.392 37.524 39.000 -0.139 0.000 1.001 250 F HN -0.137 nan 8.300 nan 0.000 0.479 251 I N -0.647 120.164 120.570 0.401 0.000 2.202 251 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 251 I C 2.743 179.035 176.117 0.292 0.000 1.091 251 I CA 1.488 62.978 61.300 0.315 0.000 1.368 251 I CB -1.170 36.961 38.000 0.217 0.000 1.058 251 I HN 0.163 nan 8.210 nan 0.000 0.410 252 G N 0.507 109.470 108.800 0.272 0.000 2.440 252 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 252 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 252 G C 1.849 176.946 174.900 0.329 0.000 1.154 252 G CA 0.885 46.163 45.100 0.297 0.000 0.767 252 G HN 0.499 nan 8.290 nan 0.000 0.552 253 A N 1.111 124.111 122.820 0.300 0.000 1.902 253 A HA 0.269 4.589 4.320 -0.000 0.000 0.217 253 A C 2.812 180.547 177.584 0.252 0.000 1.181 253 A CA 2.313 54.511 52.037 0.270 0.000 0.623 253 A CB -0.761 18.413 19.000 0.289 0.000 0.818 253 A HN 0.786 nan 8.150 nan 0.000 0.443 254 A N -0.686 122.303 122.820 0.280 0.000 1.930 254 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 254 A C 2.189 179.886 177.584 0.187 0.000 1.175 254 A CA 1.573 53.717 52.037 0.178 0.000 0.627 254 A CB -0.846 18.297 19.000 0.238 0.000 0.815 254 A HN 0.374 nan 8.150 nan 0.000 0.443 255 V N -0.120 119.947 119.914 0.255 0.000 2.407 255 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 255 V C 2.984 179.320 176.094 0.403 0.000 1.055 255 V CA 1.978 64.450 62.300 0.286 0.000 1.049 255 V CB -1.111 30.877 31.823 0.275 0.000 0.662 255 V HN 0.613 nan 8.190 nan 0.000 0.455 256 A N -0.003 123.036 122.820 0.365 0.000 1.874 256 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 256 A C 2.261 179.919 177.584 0.123 0.000 1.189 256 A CA 1.341 53.449 52.037 0.118 0.000 0.615 256 A CB -0.713 18.205 19.000 -0.137 0.000 0.830 256 A HN 0.573 nan 8.150 nan 0.000 0.443 257 A N -0.921 121.984 122.820 0.141 0.000 2.277 257 A HA 0.360 4.680 4.320 -0.000 0.000 0.208 257 A C 1.775 179.295 177.584 -0.106 0.000 1.202 257 A CA 1.580 53.597 52.037 -0.034 0.000 0.762 257 A CB -0.593 18.479 19.000 0.120 0.000 0.770 257 A HN 0.978 nan 8.150 nan 0.000 0.487 258 A N -2.411 120.419 122.820 0.017 0.000 2.009 258 A HA 0.268 4.588 4.320 -0.000 0.000 0.197 258 A C 1.634 179.277 177.584 0.098 0.000 1.471 258 A CA 0.493 52.554 52.037 0.040 0.000 0.973 258 A CB -0.443 18.609 19.000 0.086 0.000 1.020 258 A HN 0.434 nan 8.150 nan 0.000 0.476 259 Y N 0.607 120.910 120.300 0.005 0.000 2.483 259 Y HA -0.088 4.462 4.550 0.000 0.000 0.291 259 Y C 1.333 177.141 175.900 -0.152 0.000 1.143 259 Y CA 1.270 59.359 58.100 -0.018 0.000 1.289 259 Y CB -0.226 38.251 38.460 0.028 0.000 0.983 259 Y HN 0.428 nan 8.280 nan 0.000 0.556 260 H N 0.090 119.030 119.070 -0.218 0.000 2.579 260 H HA 0.205 4.761 4.556 -0.000 0.000 0.289 260 H C 0.917 176.074 175.328 -0.284 0.000 1.270 260 H CA 0.762 56.593 56.048 -0.362 0.000 1.060 260 H CB 0.148 29.507 29.762 -0.672 0.000 1.554 260 H HN 0.464 nan 8.280 nan 0.000 0.515 261 Q N -0.250 119.486 119.800 -0.107 0.000 2.419 261 Q HA -0.001 4.339 4.340 -0.000 0.000 0.187 261 Q C 0.038 176.045 176.000 0.011 0.000 0.686 261 Q CA -0.271 55.511 55.803 -0.035 0.000 0.897 261 Q CB -0.102 28.627 28.738 -0.015 0.000 1.263 261 Q HN 0.589 nan 8.270 nan 0.000 0.457 262 Y N 1.957 122.169 120.300 -0.146 0.000 2.994 262 Y HA 0.617 5.167 4.550 -0.000 0.000 0.393 262 Y C -0.434 175.311 175.900 -0.258 0.000 1.118 262 Y CA 0.044 58.064 58.100 -0.134 0.000 1.906 262 Y CB 0.195 38.624 38.460 -0.052 0.000 1.925 262 Y HN 0.227 nan 8.280 nan 0.000 0.446 263 V N 0.000 119.687 119.914 -0.379 0.000 2.409 263 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 263 V CA 0.000 61.971 62.300 -0.548 0.000 1.235 263 V CB 0.000 31.230 31.823 -0.988 0.000 1.184 263 V HN 0.000 nan 8.190 nan 0.000 0.556