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 3ke3_1_A DATA FIRST_RESID 7 DATA SEQUENCE DIDPNGLLEY SVVYTDRALN HXSKAFQEVX NDLLSNLKTV YNAEAAVIIP DATA SEQUENCE GSGTYGXEAV ARQLTIDEDC LIIRNGWFSY RWTQILEKGK FAKSSTVLTA DATA SEQUENCE ERTEDTEAPK PFAPVDIETA VAKIKEDKSA IVYAPHVETS SGIILSEEYI DATA SEQUENCE KALSEAVHSV GGLLVIDCIA SGCVWLDXKE LGIDVLISAP QXGWSSTPCA DATA SEQUENCE GLVXLSAAAI KKVESTESNC FSLDLKQWLT IXRAYENGGH AYHATXPTDS DATA SEQUENCE LRQFRDAILE AKEIGFDILR DAQWELGNRV RKVLTDKGIE SVAAEGFEAP DATA SEQUENCE GVVVSYTERD DXHKGSAFAE AGLQIAAGVP LKVGEPDNFK TFRLGLFGLD DATA SEQUENCE KLTDIDGTVE RFEKALDEVL A 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.300 176.300 0.000 0.000 2.045 7 D CA 0.000 54.001 54.000 0.001 0.000 0.868 7 D CB 0.000 40.801 40.800 0.001 0.000 0.688 8 I N 0.850 121.418 120.570 -0.004 0.000 2.385 8 I HA 0.238 4.408 4.170 -0.001 0.000 0.244 8 I C 0.451 176.562 176.117 -0.011 0.000 1.089 8 I CA 1.618 62.913 61.300 -0.008 0.000 1.410 8 I CB 0.440 38.429 38.000 -0.018 0.000 1.117 8 I HN 0.370 nan 8.210 nan 0.000 0.429 9 D N 0.448 120.840 120.400 -0.014 0.000 2.968 9 D HA 0.167 4.807 4.640 -0.001 0.000 0.301 9 D C -1.662 174.635 176.300 -0.007 0.000 1.226 9 D CA -1.243 52.749 54.000 -0.013 0.000 0.746 9 D CB 0.590 41.371 40.800 -0.031 0.000 1.278 9 D HN -0.018 nan 8.370 nan 0.000 0.544 10 P HA -0.083 nan 4.420 nan 0.000 0.219 10 P C 0.676 177.978 177.300 0.003 0.000 1.146 10 P CA 0.745 63.846 63.100 0.001 0.000 0.808 10 P CB 0.434 32.135 31.700 0.002 0.000 0.779 11 N N -0.459 118.244 118.700 0.004 0.000 2.280 11 N HA 0.080 4.819 4.740 -0.001 0.000 0.192 11 N C 1.193 176.707 175.510 0.007 0.000 1.109 11 N CA 0.306 53.360 53.050 0.007 0.000 0.855 11 N CB 0.299 38.791 38.487 0.008 0.000 0.974 11 N HN 0.172 nan 8.380 nan 0.000 0.482 12 G N 0.002 108.804 108.800 0.004 0.000 2.510 12 G HA2 0.552 4.512 3.960 -0.001 0.000 0.280 12 G HA3 0.552 4.512 3.960 -0.001 0.000 0.280 12 G C -0.063 174.842 174.900 0.008 0.000 1.386 12 G CA -0.511 44.591 45.100 0.002 0.000 1.047 12 G HN 0.057 nan 8.290 nan 0.000 0.527 13 L N -0.353 120.875 121.223 0.009 0.000 2.421 13 L HA 0.338 4.678 4.340 -0.001 0.000 0.263 13 L C 0.342 177.236 176.870 0.040 0.000 1.122 13 L CA -0.656 54.201 54.840 0.027 0.000 0.804 13 L CB 1.090 43.166 42.059 0.029 0.000 1.150 13 L HN 0.236 nan 8.230 nan 0.000 0.457 14 L N 1.555 122.827 121.223 0.081 0.000 2.499 14 L HA 0.022 4.362 4.340 -0.001 0.000 0.273 14 L C 0.379 177.328 176.870 0.133 0.000 1.195 14 L CA -0.016 54.895 54.840 0.118 0.000 0.882 14 L CB 0.198 42.397 42.059 0.232 0.000 1.133 14 L HN 0.543 nan 8.230 nan 0.000 0.483 15 E N 2.977 123.170 120.200 -0.013 0.000 2.070 15 E HA 0.064 4.414 4.350 -0.001 0.000 0.282 15 E C -1.038 175.443 176.600 -0.197 0.000 1.104 15 E CA 0.322 56.691 56.400 -0.052 0.000 0.876 15 E CB 0.159 29.814 29.700 -0.074 0.000 1.055 15 E HN 0.304 nan 8.360 nan 0.000 0.401 16 Y N 2.057 122.362 120.300 0.008 0.000 2.696 16 Y HA 0.192 4.742 4.550 -0.001 0.000 0.255 16 Y C 0.275 176.179 175.900 0.006 0.000 1.103 16 Y CA -0.401 57.703 58.100 0.007 0.000 1.126 16 Y CB 0.371 38.832 38.460 0.001 0.000 1.197 16 Y HN 0.433 nan 8.280 nan 0.000 0.574 17 S N -0.833 114.930 115.700 0.105 0.000 2.693 17 S HA 0.316 4.785 4.470 -0.001 0.000 0.276 17 S C 1.045 175.667 174.600 0.036 0.000 1.192 17 S CA -0.158 58.086 58.200 0.073 0.000 0.994 17 S CB 1.577 64.823 63.200 0.077 0.000 1.012 17 S HN 0.277 nan 8.310 nan 0.000 0.550 18 V N -0.425 119.488 119.914 -0.002 0.000 3.623 18 V HA 0.161 4.281 4.120 -0.001 0.000 0.271 18 V C 1.081 177.111 176.094 -0.106 0.000 1.248 18 V CA 0.781 63.055 62.300 -0.043 0.000 1.156 18 V CB -0.908 30.883 31.823 -0.053 0.000 0.870 18 V HN 0.827 nan 8.190 nan 0.000 0.453 19 V N -3.566 116.268 119.914 -0.134 0.000 3.645 19 V HA 0.511 4.631 4.120 -0.001 0.000 0.275 19 V C 0.505 176.184 176.094 -0.691 0.000 1.356 19 V CA -0.151 61.910 62.300 -0.398 0.000 1.051 19 V CB -1.226 30.334 31.823 -0.437 0.000 0.828 19 V HN 0.475 nan 8.190 nan 0.000 0.441 20 Y N 0.037 120.323 120.300 -0.024 0.000 2.638 20 Y HA 0.644 5.194 4.550 -0.001 0.000 0.335 20 Y C 0.325 176.194 175.900 -0.052 0.000 1.155 20 Y CA -0.436 57.645 58.100 -0.032 0.000 1.046 20 Y CB 1.602 40.038 38.460 -0.040 0.000 1.303 20 Y HN 0.032 nan 8.280 nan 0.000 0.460 21 T N -3.345 111.280 114.554 0.118 0.000 2.922 21 T HA 0.239 4.588 4.350 -0.001 0.000 0.281 21 T C 0.466 175.177 174.700 0.019 0.000 1.005 21 T CA -0.313 61.803 62.100 0.026 0.000 0.982 21 T CB 1.091 69.962 68.868 0.005 0.000 1.158 21 T HN 0.695 nan 8.240 nan 0.000 0.566 22 D N -0.634 119.750 120.400 -0.026 0.000 2.378 22 D HA -0.060 4.579 4.640 -0.001 0.000 0.227 22 D C 1.500 177.790 176.300 -0.017 0.000 1.012 22 D CA 0.209 54.190 54.000 -0.032 0.000 0.905 22 D CB -0.100 40.670 40.800 -0.049 0.000 0.895 22 D HN 0.320 nan 8.370 nan 0.000 0.532 23 R N 0.315 120.814 120.500 -0.002 0.000 2.275 23 R HA 0.387 4.727 4.340 -0.001 0.000 0.199 23 R C 0.556 176.862 176.300 0.009 0.000 0.989 23 R CA 0.325 56.427 56.100 0.003 0.000 1.016 23 R CB -0.144 30.161 30.300 0.008 0.000 0.918 23 R HN 0.277 nan 8.270 nan 0.000 0.473 24 A N 0.803 123.633 122.820 0.017 0.000 2.413 24 A HA 0.512 4.831 4.320 -0.001 0.000 0.307 24 A C -0.998 176.521 177.584 -0.108 0.000 1.087 24 A CA -0.809 51.232 52.037 0.008 0.000 0.750 24 A CB 1.335 20.410 19.000 0.125 0.000 1.296 24 A HN 0.139 nan 8.150 nan 0.000 0.423 25 L N 1.983 123.107 121.223 -0.165 0.000 2.418 25 L HA 0.204 4.544 4.340 -0.001 0.000 0.274 25 L C 0.355 176.845 176.870 -0.634 0.000 1.135 25 L CA 0.023 54.705 54.840 -0.263 0.000 0.870 25 L CB 0.098 42.075 42.059 -0.136 0.000 1.154 25 L HN 0.741 nan 8.230 nan 0.000 0.462 26 N N 4.149 122.434 118.700 -0.692 0.000 2.497 26 N HA 0.027 4.767 4.740 -0.001 0.000 0.271 26 N C -0.180 174.913 175.510 -0.696 0.000 1.142 26 N CA -0.177 52.204 53.050 -1.116 0.000 0.965 26 N CB 0.477 38.608 38.487 -0.593 0.000 1.077 26 N HN 0.788 nan 8.380 nan 0.000 0.462 30 K N 1.017 121.455 120.400 0.062 0.000 2.063 30 K HA -0.109 4.211 4.320 -0.001 0.000 0.208 30 K C 2.384 179.031 176.600 0.078 0.000 1.048 30 K CA 1.689 58.022 56.287 0.076 0.000 0.928 30 K CB -0.857 31.672 32.500 0.049 0.000 0.713 30 K HN 0.777 nan 8.250 nan 0.000 0.442 31 A N 1.062 123.923 122.820 0.067 0.000 1.883 31 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 31 A C 2.040 179.688 177.584 0.107 0.000 1.186 31 A CA 1.473 53.549 52.037 0.066 0.000 0.624 31 A CB -0.731 18.301 19.000 0.052 0.000 0.822 31 A HN 0.317 nan 8.150 nan 0.000 0.444 32 F N 0.522 120.471 119.950 -0.002 0.000 2.259 32 F HA -0.094 4.433 4.527 -0.001 0.000 0.298 32 F C 2.448 178.278 175.800 0.050 0.000 1.088 32 F CA 1.678 59.682 58.000 0.007 0.000 1.358 32 F CB -0.374 38.635 39.000 0.014 0.000 1.040 32 F HN 0.329 nan 8.300 nan 0.000 0.505 33 Q N -0.088 119.795 119.800 0.137 0.000 2.061 33 Q HA -0.285 4.054 4.340 -0.001 0.000 0.204 33 Q C 2.242 178.223 176.000 -0.032 0.000 0.984 33 Q CA 2.121 58.016 55.803 0.154 0.000 0.846 33 Q CB -0.394 28.486 28.738 0.237 0.000 0.902 33 Q HN 0.566 nan 8.270 nan 0.000 0.421 34 E N 0.192 120.368 120.200 -0.039 0.000 2.072 34 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 34 E C 0.501 177.008 176.600 -0.155 0.000 0.985 34 E CA 0.315 56.674 56.400 -0.070 0.000 0.801 34 E CB 0.264 29.944 29.700 -0.034 0.000 0.750 34 E HN 0.024 nan 8.360 nan 0.000 0.452 38 D N 2.091 122.398 120.400 -0.155 0.000 2.144 38 D HA 0.008 4.648 4.640 -0.001 0.000 0.199 38 D C 2.120 178.290 176.300 -0.217 0.000 0.984 38 D CA 0.749 54.651 54.000 -0.162 0.000 0.834 38 D CB 0.046 40.748 40.800 -0.164 0.000 0.955 38 D HN 0.294 nan 8.370 nan 0.000 0.465 39 L N 0.121 121.183 121.223 -0.269 0.000 2.027 39 L HA -0.115 4.225 4.340 -0.001 0.000 0.206 39 L C 2.550 179.275 176.870 -0.243 0.000 1.074 39 L CA 0.720 55.359 54.840 -0.335 0.000 0.745 39 L CB -0.339 41.520 42.059 -0.334 0.000 0.898 39 L HN 0.038 nan 8.230 nan 0.000 0.433 40 L N -0.588 120.533 121.223 -0.170 0.000 2.056 40 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 40 L C 2.888 179.707 176.870 -0.086 0.000 1.078 40 L CA 1.536 56.315 54.840 -0.100 0.000 0.749 40 L CB -0.666 41.356 42.059 -0.061 0.000 0.901 40 L HN 0.375 nan 8.230 nan 0.000 0.433 41 S N -0.606 115.039 115.700 -0.092 0.000 2.368 41 S HA -0.138 4.332 4.470 -0.001 0.000 0.224 41 S C 1.765 176.310 174.600 -0.092 0.000 1.029 41 S CA 1.064 59.220 58.200 -0.073 0.000 0.988 41 S CB -0.506 62.657 63.200 -0.061 0.000 0.838 41 S HN 0.410 nan 8.310 nan 0.000 0.462 42 N N 1.786 120.405 118.700 -0.136 0.000 2.142 42 N HA 0.098 4.837 4.740 -0.001 0.000 0.186 42 N C 1.813 177.197 175.510 -0.211 0.000 1.023 42 N CA 1.201 54.156 53.050 -0.159 0.000 0.852 42 N CB -0.431 37.947 38.487 -0.181 0.000 0.998 42 N HN 0.399 nan 8.380 nan 0.000 0.424 43 L N 1.403 122.508 121.223 -0.196 0.000 2.046 43 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 43 L C 2.299 179.185 176.870 0.026 0.000 1.077 43 L CA 1.208 55.999 54.840 -0.083 0.000 0.747 43 L CB -0.214 41.835 42.059 -0.016 0.000 0.896 43 L HN 0.094 nan 8.230 nan 0.000 0.432 44 K N -0.775 119.622 120.400 -0.004 0.000 2.057 44 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 44 K C 2.097 178.688 176.600 -0.015 0.000 1.050 44 K CA 1.746 58.048 56.287 0.024 0.000 0.935 44 K CB -0.279 32.224 32.500 0.006 0.000 0.715 44 K HN 0.233 nan 8.250 nan 0.000 0.439 45 T N 1.101 115.610 114.554 -0.075 0.000 2.674 45 T HA -0.117 4.232 4.350 -0.001 0.000 0.265 45 T C 2.025 176.607 174.700 -0.197 0.000 1.039 45 T CA 1.275 63.314 62.100 -0.102 0.000 1.150 45 T CB -0.209 68.603 68.868 -0.092 0.000 0.864 45 T HN -0.063 nan 8.240 nan 0.000 0.427 46 V N 0.187 119.876 119.914 -0.375 0.000 2.332 46 V HA -0.160 3.959 4.120 -0.001 0.000 0.248 46 V C 1.924 177.693 176.094 -0.542 0.000 1.055 46 V CA 1.643 63.512 62.300 -0.719 0.000 1.038 46 V CB -0.637 30.496 31.823 -1.150 0.000 0.651 46 V HN 0.547 nan 8.190 nan 0.000 0.450 47 Y N -0.870 119.386 120.300 -0.073 0.000 2.457 47 Y HA 0.299 4.849 4.550 -0.000 0.000 0.263 47 Y C 1.342 177.249 175.900 0.011 0.000 1.164 47 Y CA -0.286 57.824 58.100 0.016 0.000 1.274 47 Y CB -0.479 38.022 38.460 0.068 0.000 1.097 47 Y HN 0.356 nan 8.280 nan 0.000 0.523 48 N N 0.325 119.077 118.700 0.085 0.000 2.738 48 N HA -0.184 4.556 4.740 -0.001 0.000 0.249 48 N C -0.569 174.990 175.510 0.082 0.000 1.047 48 N CA 0.572 53.659 53.050 0.062 0.000 0.707 48 N CB -1.006 37.513 38.487 0.055 0.000 0.937 48 N HN 0.374 nan 8.380 nan 0.000 0.545 49 A N -0.288 122.590 122.820 0.095 0.000 2.282 49 A HA 0.577 4.896 4.320 -0.001 0.000 0.319 49 A C 1.087 178.701 177.584 0.050 0.000 1.121 49 A CA -0.093 51.992 52.037 0.081 0.000 0.836 49 A CB 0.894 19.954 19.000 0.099 0.000 1.146 49 A HN 0.323 nan 8.150 nan 0.000 0.494 50 E N 0.030 120.254 120.200 0.040 0.000 2.190 50 E HA 0.331 4.680 4.350 -0.001 0.000 0.191 50 E C 0.428 177.045 176.600 0.028 0.000 0.978 50 E CA 1.342 57.759 56.400 0.028 0.000 0.839 50 E CB 0.231 29.944 29.700 0.022 0.000 0.787 50 E HN 0.879 nan 8.360 nan 0.000 0.473 51 A N -0.636 122.205 122.820 0.035 0.000 2.556 51 A HA 0.848 5.168 4.320 -0.001 0.000 0.294 51 A C -1.324 176.286 177.584 0.042 0.000 1.091 51 A CA -0.332 51.727 52.037 0.036 0.000 0.704 51 A CB 1.803 20.825 19.000 0.037 0.000 1.300 51 A HN 0.139 nan 8.150 nan 0.000 0.406 52 A N 0.678 123.522 122.820 0.040 0.000 2.359 52 A HA 0.684 5.004 4.320 -0.001 0.000 0.303 52 A C -1.123 176.484 177.584 0.039 0.000 1.066 52 A CA -0.433 51.628 52.037 0.039 0.000 0.730 52 A CB 1.191 20.209 19.000 0.030 0.000 1.211 52 A HN 1.364 nan 8.150 nan 0.000 0.439 53 V N 3.575 123.512 119.914 0.039 0.000 2.495 53 V HA 0.452 4.571 4.120 -0.001 0.000 0.298 53 V C -0.374 175.714 176.094 -0.010 0.000 1.031 53 V CA -0.285 62.041 62.300 0.043 0.000 0.871 53 V CB 1.593 33.458 31.823 0.070 0.000 0.988 53 V HN 0.761 nan 8.190 nan 0.000 0.432 54 I N 5.619 126.164 120.570 -0.043 0.000 2.330 54 I HA 0.471 4.641 4.170 -0.001 0.000 0.289 54 I C -0.568 175.325 176.117 -0.372 0.000 1.001 54 I CA -0.191 61.030 61.300 -0.132 0.000 1.193 54 I CB 1.314 39.270 38.000 -0.073 0.000 1.345 54 I HN 0.428 nan 8.210 nan 0.000 0.461 55 I N 8.575 128.867 120.570 -0.463 0.000 2.354 55 I HA 0.325 4.494 4.170 -0.001 0.000 0.286 55 I C -2.266 173.499 176.117 -0.586 0.000 1.007 55 I CA -2.102 58.715 61.300 -0.805 0.000 1.167 55 I CB 1.616 39.309 38.000 -0.512 0.000 1.320 55 I HN 0.201 nan 8.210 nan 0.000 0.458 56 P HA 0.122 nan 4.420 nan 0.000 0.265 56 P C 0.571 177.665 177.300 -0.343 0.000 1.187 56 P CA 0.619 63.498 63.100 -0.368 0.000 0.766 56 P CB 0.775 32.328 31.700 -0.246 0.000 0.820 57 G N 1.189 109.733 108.800 -0.427 0.000 1.844 57 G HA2 0.132 4.092 3.960 -0.001 0.000 0.177 57 G HA3 0.132 4.092 3.960 -0.001 0.000 0.177 57 G C -0.421 174.055 174.900 -0.706 0.000 1.010 57 G CA 0.296 44.889 45.100 -0.846 0.000 1.257 57 G HN 0.935 nan 8.290 nan 0.000 0.428 58 S N -1.426 113.869 115.700 -0.675 0.000 2.703 58 S HA 0.642 5.112 4.470 -0.001 0.000 0.273 58 S C 1.329 175.834 174.600 -0.160 0.000 1.178 58 S CA 0.642 58.641 58.200 -0.336 0.000 0.838 58 S CB 0.950 63.993 63.200 -0.262 0.000 1.178 58 S HN 2.055 nan 8.310 nan 0.000 0.494 59 G N 0.816 109.553 108.800 -0.105 0.000 2.440 59 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.218 59 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.218 59 G C 1.134 176.025 174.900 -0.016 0.000 1.154 59 G CA 1.729 46.792 45.100 -0.062 0.000 0.767 59 G HN 0.811 nan 8.290 nan 0.000 0.552 60 T N 0.434 115.006 114.554 0.030 0.000 2.720 60 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 60 T C 2.107 176.862 174.700 0.092 0.000 1.037 60 T CA 1.461 63.580 62.100 0.032 0.000 1.144 60 T CB -0.337 68.582 68.868 0.085 0.000 0.864 60 T HN 0.349 nan 8.240 nan 0.000 0.444 61 Y N 1.613 121.859 120.300 -0.089 0.000 2.242 61 Y HA 0.185 4.734 4.550 -0.001 0.000 0.291 61 Y C 2.113 177.974 175.900 -0.064 0.000 1.137 61 Y CA -0.319 57.737 58.100 -0.073 0.000 1.181 61 Y CB -1.248 37.162 38.460 -0.084 0.000 0.989 61 Y HN 0.204 nan 8.280 nan 0.000 0.527 65 A N 1.130 123.997 122.820 0.079 0.000 1.883 65 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 65 A C 2.173 179.826 177.584 0.115 0.000 1.186 65 A CA 1.922 54.010 52.037 0.085 0.000 0.624 65 A CB -0.856 18.200 19.000 0.093 0.000 0.822 65 A HN 0.158 nan 8.150 nan 0.000 0.444 66 V N -0.077 119.943 119.914 0.177 0.000 2.252 66 V HA -0.313 3.806 4.120 -0.001 0.000 0.249 66 V C 3.083 179.340 176.094 0.272 0.000 1.056 66 V CA 2.236 64.674 62.300 0.229 0.000 1.022 66 V CB -1.363 30.652 31.823 0.320 0.000 0.641 66 V HN 0.649 nan 8.190 nan 0.000 0.445 67 A N -0.247 122.788 122.820 0.358 0.000 1.877 67 A HA -0.241 4.079 4.320 -0.001 0.000 0.216 67 A C 2.354 180.106 177.584 0.278 0.000 1.186 67 A CA 1.984 54.270 52.037 0.415 0.000 0.620 67 A CB -0.522 18.762 19.000 0.472 0.000 0.822 67 A HN 0.526 nan 8.150 nan 0.000 0.443 68 R N -1.396 119.105 120.500 0.002 0.000 2.189 68 R HA -0.084 4.256 4.340 -0.001 0.000 0.218 68 R C 2.342 178.553 176.300 -0.148 0.000 1.074 68 R CA 1.338 57.225 56.100 -0.355 0.000 0.991 68 R CB -0.108 29.952 30.300 -0.400 0.000 0.883 68 R HN 0.633 nan 8.270 nan 0.000 0.457 69 Q N 0.426 120.220 119.800 -0.010 0.000 2.163 69 Q HA 0.051 4.391 4.340 -0.001 0.000 0.198 69 Q C 1.378 177.403 176.000 0.042 0.000 0.954 69 Q CA 1.221 57.031 55.803 0.013 0.000 0.851 69 Q CB 0.417 29.178 28.738 0.038 0.000 0.928 69 Q HN 0.272 nan 8.270 nan 0.000 0.459 70 L N -0.834 120.442 121.223 0.088 0.000 2.766 70 L HA 0.255 4.594 4.340 -0.001 0.000 0.242 70 L C 0.385 177.326 176.870 0.118 0.000 1.136 70 L CA 0.502 55.393 54.840 0.085 0.000 0.933 70 L CB 0.665 42.765 42.059 0.068 0.000 1.241 70 L HN 0.082 nan 8.230 nan 0.000 0.522 71 T N -0.802 113.872 114.554 0.200 0.000 3.145 71 T HA 0.313 4.662 4.350 -0.001 0.000 0.281 71 T C 0.697 175.566 174.700 0.280 0.000 1.003 71 T CA -0.277 61.972 62.100 0.248 0.000 0.901 71 T CB 0.551 69.636 68.868 0.362 0.000 1.112 71 T HN -0.074 nan 8.240 nan 0.000 0.535 72 I N 3.353 124.061 120.570 0.228 0.000 2.578 72 I HA 0.034 4.203 4.170 -0.001 0.000 0.286 72 I C 0.214 176.414 176.117 0.139 0.000 1.126 72 I CA 0.748 62.176 61.300 0.214 0.000 1.380 72 I CB -0.373 37.689 38.000 0.103 0.000 1.408 72 I HN 0.356 nan 8.210 nan 0.000 0.532 73 D N 3.944 124.424 120.400 0.133 0.000 2.870 73 D HA -0.146 4.494 4.640 -0.001 0.000 0.228 73 D C 0.236 176.570 176.300 0.057 0.000 1.147 73 D CA 1.006 55.051 54.000 0.075 0.000 0.757 73 D CB -0.139 40.696 40.800 0.058 0.000 1.091 73 D HN 0.575 nan 8.370 nan 0.000 0.429 74 E N 0.519 120.759 120.200 0.067 0.000 2.221 74 E HA 0.321 4.670 4.350 -0.001 0.000 0.268 74 E C -0.014 176.606 176.600 0.033 0.000 0.933 74 E CA -0.571 55.857 56.400 0.047 0.000 0.809 74 E CB 1.344 31.078 29.700 0.056 0.000 1.190 74 E HN -0.009 nan 8.360 nan 0.000 0.406 75 D N 1.359 121.769 120.400 0.017 0.000 2.264 75 D HA 0.243 4.883 4.640 -0.001 0.000 0.250 75 D C 0.112 176.416 176.300 0.007 0.000 1.113 75 D CA -0.157 53.848 54.000 0.007 0.000 0.871 75 D CB 0.837 41.636 40.800 -0.001 0.000 1.167 75 D HN 0.432 nan 8.370 nan 0.000 0.447 76 C N 1.283 120.593 119.300 0.017 0.000 2.971 76 C HA 0.862 5.322 4.460 -0.001 0.000 0.310 76 C C -0.567 174.434 174.990 0.018 0.000 1.285 76 C CA -1.022 58.008 59.018 0.020 0.000 1.593 76 C CB 0.573 28.386 27.740 0.121 0.000 2.076 76 C HN 0.641 nan 8.230 nan 0.000 0.472 77 L N 1.511 122.733 121.223 -0.001 0.000 2.365 77 L HA 0.838 5.178 4.340 -0.001 0.000 0.273 77 L C -1.137 175.750 176.870 0.029 0.000 1.000 77 L CA -0.753 54.091 54.840 0.005 0.000 0.819 77 L CB 1.401 43.449 42.059 -0.018 0.000 1.284 77 L HN 0.817 nan 8.230 nan 0.000 0.418 78 I N 5.426 126.023 120.570 0.045 0.000 2.436 78 I HA 0.352 4.521 4.170 -0.001 0.000 0.289 78 I C -0.699 175.462 176.117 0.073 0.000 1.010 78 I CA -0.593 60.742 61.300 0.059 0.000 1.098 78 I CB 1.991 40.030 38.000 0.065 0.000 1.266 78 I HN 0.367 nan 8.210 nan 0.000 0.434 79 I N 6.145 126.773 120.570 0.096 0.000 2.291 79 I HA 0.251 4.421 4.170 -0.001 0.000 0.292 79 I C 0.374 176.566 176.117 0.126 0.000 1.064 79 I CA -0.064 61.306 61.300 0.117 0.000 1.269 79 I CB 0.376 38.471 38.000 0.158 0.000 1.418 79 I HN 0.579 nan 8.210 nan 0.000 0.485 80 R N 5.941 126.498 120.500 0.096 0.000 2.198 80 R HA 0.293 4.633 4.340 -0.001 0.000 0.339 80 R C 0.084 176.409 176.300 0.042 0.000 1.020 80 R CA -0.249 55.903 56.100 0.086 0.000 0.864 80 R CB 0.652 30.989 30.300 0.063 0.000 1.105 80 R HN 0.443 nan 8.270 nan 0.000 0.463 81 N N 2.308 121.035 118.700 0.045 0.000 2.184 81 N HA 0.204 4.944 4.740 -0.001 0.000 0.206 81 N C 0.105 175.592 175.510 -0.040 0.000 1.151 81 N CA 0.392 53.439 53.050 -0.006 0.000 0.878 81 N CB 1.695 40.186 38.487 0.007 0.000 1.014 81 N HN 0.782 nan 8.380 nan 0.000 0.512 82 G N -1.183 107.618 108.800 0.002 0.000 2.344 82 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.282 82 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.282 82 G C -0.574 174.403 174.900 0.128 0.000 1.281 82 G CA -0.609 44.511 45.100 0.034 0.000 0.877 82 G HN 0.110 nan 8.290 nan 0.000 0.494 83 W N -0.154 121.146 121.300 0.001 0.000 2.363 83 W HA -0.002 4.658 4.660 0.000 0.000 0.296 83 W C 1.604 177.966 176.519 -0.262 0.000 1.212 83 W CA 1.468 58.755 57.345 -0.097 0.000 1.260 83 W CB -0.104 29.237 29.460 -0.198 0.000 1.131 83 W HN 0.315 nan 8.180 nan 0.000 0.530 84 F N 0.704 120.732 119.950 0.129 0.000 2.811 84 F HA -0.089 4.437 4.527 -0.001 0.000 0.301 84 F C 2.440 178.176 175.800 -0.107 0.000 1.151 84 F CA 1.362 59.351 58.000 -0.019 0.000 1.412 84 F CB -0.454 38.562 39.000 0.026 0.000 1.113 84 F HN -0.185 nan 8.300 nan 0.000 0.579 85 S N -2.124 113.629 115.700 0.088 0.000 2.506 85 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 85 S C 1.770 176.436 174.600 0.111 0.000 1.031 85 S CA -0.123 58.184 58.200 0.178 0.000 0.911 85 S CB -0.881 62.480 63.200 0.268 0.000 0.812 85 S HN 0.361 nan 8.310 nan 0.000 0.497 86 Y N 3.282 123.463 120.300 -0.198 0.000 2.256 86 Y HA -0.042 4.507 4.550 -0.001 0.000 0.288 86 Y C 2.418 178.061 175.900 -0.427 0.000 1.155 86 Y CA 1.525 59.410 58.100 -0.358 0.000 1.203 86 Y CB -0.552 37.534 38.460 -0.624 0.000 0.980 86 Y HN 0.202 nan 8.280 nan 0.000 0.530 87 R N -0.687 119.436 120.500 -0.627 0.000 2.154 87 R HA -0.257 4.082 4.340 -0.001 0.000 0.248 87 R C 1.969 177.942 176.300 -0.545 0.000 1.155 87 R CA 2.335 58.025 56.100 -0.683 0.000 0.979 87 R CB -0.747 29.197 30.300 -0.592 0.000 0.869 87 R HN 0.556 nan 8.270 nan 0.000 0.452 88 W N -0.560 120.539 121.300 -0.336 0.000 2.358 88 W HA -0.121 4.540 4.660 0.001 0.000 0.303 88 W C 2.423 178.723 176.519 -0.365 0.000 1.208 88 W CA 1.338 58.465 57.345 -0.363 0.000 1.274 88 W CB -0.560 28.671 29.460 -0.382 0.000 1.138 88 W HN 0.050 nan 8.180 nan 0.000 0.515 89 T N 0.215 114.686 114.554 -0.139 0.000 2.746 89 T HA -0.251 4.099 4.350 -0.001 0.000 0.267 89 T C 1.590 176.082 174.700 -0.347 0.000 1.039 89 T CA 1.663 63.637 62.100 -0.209 0.000 1.142 89 T CB -0.365 68.432 68.868 -0.117 0.000 0.866 89 T HN 0.252 nan 8.240 nan 0.000 0.444 90 Q N 0.065 119.513 119.800 -0.587 0.000 2.124 90 Q HA -0.005 4.335 4.340 -0.001 0.000 0.202 90 Q C 2.308 178.126 176.000 -0.303 0.000 0.977 90 Q CA 1.109 56.599 55.803 -0.522 0.000 0.850 90 Q CB -0.325 28.006 28.738 -0.678 0.000 0.901 90 Q HN 0.521 nan 8.270 nan 0.000 0.429 91 I N 0.441 120.855 120.570 -0.260 0.000 2.142 91 I HA -0.298 3.872 4.170 -0.001 0.000 0.240 91 I C 2.096 178.145 176.117 -0.115 0.000 1.078 91 I CA 1.166 62.391 61.300 -0.126 0.000 1.343 91 I CB -0.173 37.781 38.000 -0.076 0.000 1.046 91 I HN 0.190 nan 8.210 nan 0.000 0.405 92 L N 0.013 121.107 121.223 -0.215 0.000 2.093 92 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 92 L C 2.396 179.067 176.870 -0.331 0.000 1.085 92 L CA 1.326 55.919 54.840 -0.412 0.000 0.755 92 L CB -0.567 41.286 42.059 -0.342 0.000 0.904 92 L HN 0.260 nan 8.230 nan 0.000 0.435 93 E N -0.018 120.052 120.200 -0.217 0.000 2.107 93 E HA -0.221 4.129 4.350 -0.001 0.000 0.191 93 E C 2.047 178.579 176.600 -0.112 0.000 0.982 93 E CA 0.796 57.104 56.400 -0.154 0.000 0.809 93 E CB 0.145 29.768 29.700 -0.129 0.000 0.756 93 E HN 0.163 nan 8.360 nan 0.000 0.459 94 K N 0.224 120.564 120.400 -0.100 0.000 2.103 94 K HA -0.046 4.274 4.320 -0.001 0.000 0.204 94 K C 1.865 178.468 176.600 0.005 0.000 1.052 94 K CA 1.258 57.518 56.287 -0.046 0.000 0.945 94 K CB -0.391 32.082 32.500 -0.044 0.000 0.722 94 K HN 0.153 nan 8.250 nan 0.000 0.443 95 G N 0.105 108.927 108.800 0.037 0.000 2.408 95 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.215 95 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.215 95 G C -0.249 174.740 174.900 0.149 0.000 1.156 95 G CA 0.473 45.712 45.100 0.231 0.000 0.793 95 G HN 0.366 nan 8.290 nan 0.000 0.535 96 K N -0.761 119.582 120.400 -0.095 0.000 3.071 96 K HA -0.249 4.071 4.320 -0.001 0.000 0.265 96 K C 0.799 177.394 176.600 -0.008 0.000 1.060 96 K CA 0.916 57.151 56.287 -0.087 0.000 0.767 96 K CB -2.070 30.421 32.500 -0.014 0.000 1.241 96 K HN 0.650 nan 8.250 nan 0.000 0.486 97 F N -2.071 117.882 119.950 0.004 0.000 2.678 97 F HA 0.393 4.919 4.527 -0.001 0.000 0.291 97 F C 1.036 176.847 175.800 0.018 0.000 1.123 97 F CA -0.321 57.687 58.000 0.013 0.000 1.395 97 F CB 0.240 39.251 39.000 0.018 0.000 1.121 97 F HN 0.038 nan 8.300 nan 0.000 0.592 98 A N 1.743 124.440 122.820 -0.205 0.000 2.322 98 A HA 0.296 4.615 4.320 -0.001 0.000 0.269 98 A C 1.478 179.040 177.584 -0.036 0.000 1.094 98 A CA -0.290 51.702 52.037 -0.075 0.000 0.807 98 A CB 0.705 19.599 19.000 -0.176 0.000 1.047 98 A HN 0.418 nan 8.150 nan 0.000 0.487 99 K N 0.384 120.787 120.400 0.004 0.000 2.062 99 K HA -0.023 4.296 4.320 -0.001 0.000 0.205 99 K C 0.556 177.147 176.600 -0.017 0.000 1.051 99 K CA 1.599 57.886 56.287 0.001 0.000 0.941 99 K CB -0.090 32.418 32.500 0.014 0.000 0.719 99 K HN 0.934 nan 8.250 nan 0.000 0.440 100 S N -1.687 114.001 115.700 -0.020 0.000 2.611 100 S HA 0.390 4.860 4.470 -0.001 0.000 0.268 100 S C -1.376 173.210 174.600 -0.023 0.000 1.156 100 S CA -0.923 57.262 58.200 -0.024 0.000 0.817 100 S CB 1.765 64.958 63.200 -0.013 0.000 1.122 100 S HN 0.011 nan 8.310 nan 0.000 0.466 101 S N 0.418 116.105 115.700 -0.023 0.000 2.614 101 S HA 0.675 5.145 4.470 -0.001 0.000 0.275 101 S C -1.346 173.251 174.600 -0.006 0.000 1.161 101 S CA -0.369 57.823 58.200 -0.014 0.000 0.969 101 S CB 1.544 64.722 63.200 -0.035 0.000 1.059 101 S HN 0.842 nan 8.310 nan 0.000 0.482 102 T N 4.015 118.571 114.554 0.004 0.000 2.758 102 T HA 0.472 4.822 4.350 -0.001 0.000 0.285 102 T C -0.548 174.162 174.700 0.016 0.000 0.981 102 T CA -0.405 61.699 62.100 0.006 0.000 0.965 102 T CB 1.076 69.945 68.868 0.003 0.000 0.927 102 T HN 0.437 nan 8.240 nan 0.000 0.448 103 V N 5.698 125.622 119.914 0.017 0.000 2.350 103 V HA 0.381 4.501 4.120 -0.001 0.000 0.276 103 V C -0.072 176.038 176.094 0.028 0.000 1.028 103 V CA -0.762 61.555 62.300 0.028 0.000 0.860 103 V CB 0.966 32.807 31.823 0.029 0.000 0.990 103 V HN 0.748 nan 8.190 nan 0.000 0.453 104 L N 5.821 127.067 121.223 0.038 0.000 2.264 104 L HA 0.436 4.775 4.340 -0.001 0.000 0.287 104 L C 0.760 177.658 176.870 0.047 0.000 1.039 104 L CA -0.249 54.615 54.840 0.041 0.000 0.829 104 L CB 1.386 43.475 42.059 0.049 0.000 1.211 104 L HN 0.776 nan 8.230 nan 0.000 0.427 105 T N 0.204 114.780 114.554 0.036 0.000 2.913 105 T HA 0.651 5.001 4.350 -0.001 0.000 0.287 105 T C 0.481 175.211 174.700 0.049 0.000 1.008 105 T CA -0.763 61.355 62.100 0.030 0.000 1.067 105 T CB 1.794 70.671 68.868 0.015 0.000 0.996 105 T HN 0.551 nan 8.240 nan 0.000 0.513 106 A N 2.000 124.849 122.820 0.050 0.000 2.448 106 A HA 0.465 4.784 4.320 -0.001 0.000 0.239 106 A C 0.439 178.166 177.584 0.238 0.000 1.080 106 A CA -0.412 51.691 52.037 0.110 0.000 0.779 106 A CB -0.004 19.053 19.000 0.097 0.000 1.026 106 A HN 0.878 nan 8.150 nan 0.000 0.499 107 E N 0.516 120.838 120.200 0.203 0.000 2.266 107 E HA 0.317 4.667 4.350 -0.001 0.000 0.268 107 E C -0.811 175.705 176.600 -0.139 0.000 0.879 107 E CA -0.714 55.735 56.400 0.081 0.000 0.762 107 E CB 1.957 31.666 29.700 0.015 0.000 1.199 107 E HN 0.656 nan 8.360 nan 0.000 0.422 108 R N 0.088 120.326 120.500 -0.437 0.000 2.594 108 R HA 0.074 4.414 4.340 -0.001 0.000 0.272 108 R C 1.553 177.703 176.300 -0.249 0.000 1.074 108 R CA 0.361 56.094 56.100 -0.611 0.000 1.105 108 R CB 0.325 30.256 30.300 -0.615 0.000 1.008 108 R HN 0.611 nan 8.270 nan 0.000 0.472 109 T N -1.826 112.624 114.554 -0.174 0.000 2.962 109 T HA -0.017 4.332 4.350 -0.001 0.000 0.270 109 T C 0.657 175.318 174.700 -0.064 0.000 1.088 109 T CA 1.316 63.373 62.100 -0.071 0.000 1.127 109 T CB -0.088 68.772 68.868 -0.014 0.000 0.883 109 T HN 0.714 nan 8.240 nan 0.000 0.493 110 E N 0.163 120.307 120.200 -0.093 0.000 2.375 110 E HA 0.435 4.785 4.350 -0.001 0.000 0.280 110 E C -1.598 174.949 176.600 -0.087 0.000 0.972 110 E CA -0.407 55.951 56.400 -0.070 0.000 0.782 110 E CB 0.955 30.627 29.700 -0.047 0.000 1.229 110 E HN 0.067 nan 8.360 nan 0.000 0.439 111 D N 1.235 121.597 120.400 -0.064 0.000 2.524 111 D HA 0.483 5.123 4.640 -0.001 0.000 0.222 111 D C 0.009 176.283 176.300 -0.043 0.000 1.142 111 D CA 0.648 54.615 54.000 -0.056 0.000 0.973 111 D CB 0.080 40.856 40.800 -0.040 0.000 1.025 111 D HN 0.818 nan 8.370 nan 0.000 0.519 112 T N -1.965 112.559 114.554 -0.050 0.000 2.926 112 T HA 0.627 4.976 4.350 -0.001 0.000 0.289 112 T C 1.606 176.280 174.700 -0.043 0.000 1.054 112 T CA -0.041 62.034 62.100 -0.042 0.000 1.015 112 T CB 1.413 70.254 68.868 -0.045 0.000 1.167 112 T HN 0.237 nan 8.240 nan 0.000 0.526 113 E N 0.598 120.777 120.200 -0.035 0.000 2.051 113 E HA 0.233 4.583 4.350 -0.001 0.000 0.192 113 E C 1.322 177.889 176.600 -0.055 0.000 0.991 113 E CA 1.181 57.561 56.400 -0.033 0.000 0.799 113 E CB -1.132 28.553 29.700 -0.024 0.000 0.748 113 E HN 1.211 nan 8.360 nan 0.000 0.449 114 A N 1.196 123.975 122.820 -0.068 0.000 2.448 114 A HA 0.470 4.790 4.320 -0.001 0.000 0.239 114 A C -2.302 175.180 177.584 -0.170 0.000 1.080 114 A CA -0.686 51.290 52.037 -0.102 0.000 0.779 114 A CB -0.030 18.921 19.000 -0.082 0.000 1.026 114 A HN 0.260 nan 8.150 nan 0.000 0.499 115 P HA 0.415 nan 4.420 nan 0.000 0.281 115 P C -0.826 176.214 177.300 -0.433 0.000 1.252 115 P CA -0.140 62.622 63.100 -0.563 0.000 0.778 115 P CB 0.725 31.730 31.700 -1.158 0.000 0.895 116 K N 4.175 124.409 120.400 -0.278 0.000 2.259 116 K HA 0.549 4.869 4.320 -0.001 0.000 0.252 116 K C -2.427 174.228 176.600 0.092 0.000 0.936 116 K CA -2.534 53.700 56.287 -0.089 0.000 0.810 116 K CB 0.737 33.166 32.500 -0.119 0.000 1.143 116 K HN 0.260 nan 8.250 nan 0.000 0.427 117 P HA 0.212 nan 4.420 nan 0.000 0.274 117 P C -0.810 176.537 177.300 0.078 0.000 1.256 117 P CA -0.209 63.052 63.100 0.269 0.000 0.795 117 P CB 0.506 32.334 31.700 0.213 0.000 1.038 118 F N -0.360 119.668 119.950 0.130 0.000 2.492 118 F HA 0.613 5.139 4.527 -0.001 0.000 0.327 118 F C 0.543 176.311 175.800 -0.053 0.000 1.079 118 F CA -0.332 57.695 58.000 0.045 0.000 0.967 118 F CB 1.900 40.927 39.000 0.045 0.000 1.169 118 F HN 0.338 nan 8.300 nan 0.000 0.472 119 A N 3.612 126.439 122.820 0.012 0.000 2.413 119 A HA 0.859 5.179 4.320 -0.001 0.000 0.307 119 A C -2.812 174.576 177.584 -0.326 0.000 1.087 119 A CA -1.928 49.876 52.037 -0.389 0.000 0.750 119 A CB 1.508 20.239 19.000 -0.448 0.000 1.296 119 A HN 0.378 nan 8.150 nan 0.000 0.423 120 P HA 0.179 nan 4.420 nan 0.000 0.272 120 P C 0.315 177.560 177.300 -0.090 0.000 1.240 120 P CA -0.090 62.864 63.100 -0.242 0.000 0.791 120 P CB 0.645 32.149 31.700 -0.325 0.000 0.978 121 V N 2.224 122.168 119.914 0.050 0.000 2.694 121 V HA -0.019 4.100 4.120 -0.001 0.000 0.306 121 V C 0.630 176.822 176.094 0.162 0.000 1.054 121 V CA 0.105 62.459 62.300 0.089 0.000 1.161 121 V CB -0.396 31.481 31.823 0.091 0.000 0.916 121 V HN 0.764 nan 8.190 nan 0.000 0.490 122 D N 5.024 125.490 120.400 0.111 0.000 2.414 122 D HA -0.082 4.558 4.640 -0.001 0.000 0.242 122 D C 1.053 177.396 176.300 0.072 0.000 1.129 122 D CA -0.318 53.766 54.000 0.140 0.000 0.885 122 D CB 1.207 42.066 40.800 0.098 0.000 1.198 122 D HN 0.483 nan 8.370 nan 0.000 0.437 123 I N 2.442 123.025 120.570 0.022 0.000 2.264 123 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 123 I C 2.286 178.312 176.117 -0.151 0.000 1.111 123 I CA 1.495 62.638 61.300 -0.262 0.000 1.382 123 I CB -0.298 37.465 38.000 -0.395 0.000 1.060 123 I HN 0.481 nan 8.210 nan 0.000 0.418 124 E N -0.615 119.549 120.200 -0.061 0.000 2.097 124 E HA -0.248 4.102 4.350 -0.001 0.000 0.196 124 E C 2.231 178.808 176.600 -0.038 0.000 1.000 124 E CA 1.773 58.148 56.400 -0.042 0.000 0.804 124 E CB -1.261 28.431 29.700 -0.013 0.000 0.740 124 E HN 0.693 nan 8.360 nan 0.000 0.454 125 T N 0.126 114.667 114.554 -0.022 0.000 2.857 125 T HA -0.016 4.334 4.350 -0.001 0.000 0.266 125 T C 2.121 176.806 174.700 -0.024 0.000 1.048 125 T CA 1.057 63.149 62.100 -0.013 0.000 1.139 125 T CB -0.398 68.474 68.868 0.006 0.000 0.874 125 T HN 0.421 nan 8.240 nan 0.000 0.455 126 A N 1.048 123.842 122.820 -0.043 0.000 1.877 126 A HA -0.052 4.268 4.320 -0.001 0.000 0.216 126 A C 2.570 180.112 177.584 -0.071 0.000 1.186 126 A CA 1.351 53.356 52.037 -0.053 0.000 0.620 126 A CB -1.066 17.877 19.000 -0.095 0.000 0.822 126 A HN 0.336 nan 8.150 nan 0.000 0.443 127 V N -0.155 119.700 119.914 -0.097 0.000 2.295 127 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 127 V C 3.086 179.147 176.094 -0.055 0.000 1.049 127 V CA 2.014 64.262 62.300 -0.087 0.000 1.024 127 V CB -1.229 30.536 31.823 -0.096 0.000 0.648 127 V HN 0.629 nan 8.190 nan 0.000 0.447 128 A N -0.384 122.410 122.820 -0.042 0.000 1.883 128 A HA -0.292 4.028 4.320 -0.001 0.000 0.217 128 A C 2.242 179.811 177.584 -0.024 0.000 1.186 128 A CA 2.411 54.431 52.037 -0.028 0.000 0.624 128 A CB -0.509 18.479 19.000 -0.020 0.000 0.822 128 A HN 0.473 nan 8.150 nan 0.000 0.444 129 K N -0.294 120.092 120.400 -0.023 0.000 2.057 129 K HA 0.029 4.348 4.320 -0.001 0.000 0.206 129 K C 1.641 178.228 176.600 -0.021 0.000 1.050 129 K CA 1.230 57.507 56.287 -0.017 0.000 0.935 129 K CB -0.415 32.078 32.500 -0.011 0.000 0.715 129 K HN 0.528 nan 8.250 nan 0.000 0.439 130 I N 0.800 121.352 120.570 -0.031 0.000 2.208 130 I HA -0.356 3.814 4.170 -0.001 0.000 0.245 130 I C 1.933 178.032 176.117 -0.030 0.000 1.097 130 I CA 1.490 62.768 61.300 -0.036 0.000 1.363 130 I CB -0.146 37.822 38.000 -0.052 0.000 1.051 130 I HN 0.127 nan 8.210 nan 0.000 0.413 131 K N 0.135 120.518 120.400 -0.028 0.000 2.155 131 K HA -0.193 4.127 4.320 -0.001 0.000 0.203 131 K C 2.055 178.646 176.600 -0.015 0.000 1.052 131 K CA 1.132 57.407 56.287 -0.020 0.000 0.948 131 K CB -0.120 32.368 32.500 -0.020 0.000 0.728 131 K HN 0.337 nan 8.250 nan 0.000 0.448 132 E N 1.139 121.330 120.200 -0.015 0.000 2.072 132 E HA -0.182 4.168 4.350 -0.001 0.000 0.191 132 E C 0.813 177.407 176.600 -0.010 0.000 0.985 132 E CA 1.325 57.718 56.400 -0.011 0.000 0.801 132 E CB 0.217 29.911 29.700 -0.010 0.000 0.750 132 E HN 0.169 nan 8.360 nan 0.000 0.452 133 D N 0.137 120.529 120.400 -0.012 0.000 2.349 133 D HA 0.030 4.670 4.640 -0.001 0.000 0.215 133 D C -0.216 176.077 176.300 -0.012 0.000 1.016 133 D CA 0.306 54.300 54.000 -0.011 0.000 0.870 133 D CB 0.197 40.990 40.800 -0.011 0.000 0.917 133 D HN 0.064 nan 8.370 nan 0.000 0.524 134 K N 0.264 120.656 120.400 -0.014 0.000 3.150 134 K HA -0.136 4.184 4.320 -0.001 0.000 0.267 134 K C -0.704 175.886 176.600 -0.017 0.000 1.028 134 K CA 0.081 56.360 56.287 -0.013 0.000 0.753 134 K CB -1.781 30.714 32.500 -0.008 0.000 1.288 134 K HN 0.048 nan 8.250 nan 0.000 0.473 135 S N 0.385 116.070 115.700 -0.025 0.000 2.525 135 S HA 0.152 4.621 4.470 -0.001 0.000 0.285 135 S C 1.647 176.223 174.600 -0.040 0.000 1.283 135 S CA 0.049 58.227 58.200 -0.035 0.000 1.072 135 S CB 1.443 64.612 63.200 -0.052 0.000 0.867 135 S HN 0.489 nan 8.310 nan 0.000 0.492 136 A N 4.014 126.812 122.820 -0.037 0.000 1.968 136 A HA 0.184 4.504 4.320 -0.001 0.000 0.217 136 A C 0.723 178.259 177.584 -0.080 0.000 1.169 136 A CA 0.878 52.892 52.037 -0.038 0.000 0.638 136 A CB -0.058 18.932 19.000 -0.017 0.000 0.812 136 A HN 0.687 nan 8.150 nan 0.000 0.446 137 I N -0.158 120.334 120.570 -0.131 0.000 2.656 137 I HA 0.351 4.521 4.170 -0.001 0.000 0.292 137 I C -1.345 174.550 176.117 -0.369 0.000 1.144 137 I CA -0.479 60.646 61.300 -0.292 0.000 1.038 137 I CB 1.964 39.729 38.000 -0.392 0.000 1.244 137 I HN -0.174 nan 8.210 nan 0.000 0.420 138 V N 6.615 126.271 119.914 -0.430 0.000 2.448 138 V HA 0.437 4.557 4.120 -0.001 0.000 0.295 138 V C -1.067 174.703 176.094 -0.540 0.000 1.025 138 V CA -0.592 61.495 62.300 -0.354 0.000 0.859 138 V CB 1.859 33.568 31.823 -0.189 0.000 0.988 138 V HN 0.451 nan 8.190 nan 0.000 0.431 139 Y N 2.792 122.895 120.300 -0.329 0.000 2.352 139 Y HA 0.799 5.348 4.550 -0.001 0.000 0.339 139 Y C 0.331 176.081 175.900 -0.250 0.000 0.992 139 Y CA -0.529 57.248 58.100 -0.539 0.000 1.100 139 Y CB 2.098 39.792 38.460 -1.278 0.000 1.192 139 Y HN 0.738 nan 8.280 nan 0.000 0.458 140 A N 4.652 127.519 122.820 0.079 0.000 2.520 140 A HA 0.739 5.058 4.320 -0.001 0.000 0.298 140 A C -3.209 174.541 177.584 0.277 0.000 1.051 140 A CA -1.878 50.269 52.037 0.183 0.000 0.690 140 A CB 1.904 21.000 19.000 0.160 0.000 1.281 140 A HN 0.376 nan 8.150 nan 0.000 0.402 141 P HA 0.221 nan 4.420 nan 0.000 0.293 141 P C 0.344 177.781 177.300 0.227 0.000 1.300 141 P CA 0.046 63.305 63.100 0.266 0.000 0.792 141 P CB 0.915 32.751 31.700 0.228 0.000 0.925 142 H N 2.802 121.940 119.070 0.113 0.000 2.270 142 H HA -0.002 4.554 4.556 -0.001 0.000 0.299 142 H C -0.333 175.027 175.328 0.054 0.000 1.077 142 H CA 1.106 57.202 56.048 0.081 0.000 1.294 142 H CB 0.369 30.178 29.762 0.078 0.000 1.371 142 H HN 0.104 nan 8.280 nan 0.000 0.491 143 V N 1.706 121.568 119.914 -0.088 0.000 2.487 143 V HA 0.115 4.235 4.120 -0.001 0.000 0.298 143 V C -0.747 175.334 176.094 -0.020 0.000 1.028 143 V CA -0.715 61.501 62.300 -0.140 0.000 0.860 143 V CB 1.669 33.351 31.823 -0.234 0.000 0.991 143 V HN 0.360 nan 8.190 nan 0.000 0.427 144 E N 2.813 123.015 120.200 0.004 0.000 2.146 144 E HA 0.343 4.692 4.350 -0.001 0.000 0.282 144 E C 0.814 177.431 176.600 0.029 0.000 0.989 144 E CA -0.186 56.250 56.400 0.059 0.000 0.799 144 E CB 1.640 31.386 29.700 0.077 0.000 1.088 144 E HN 0.688 nan 8.360 nan 0.000 0.397 145 T N 1.735 116.301 114.554 0.020 0.000 2.995 145 T HA -0.115 4.235 4.350 -0.001 0.000 0.269 145 T C 1.513 176.230 174.700 0.027 0.000 1.091 145 T CA 1.160 63.223 62.100 -0.062 0.000 1.128 145 T CB -0.130 68.549 68.868 -0.314 0.000 0.891 145 T HN 0.505 nan 8.240 nan 0.000 0.492 146 S N 1.859 117.664 115.700 0.176 0.000 2.446 146 S HA 0.001 4.471 4.470 -0.001 0.000 0.225 146 S C 2.067 176.712 174.600 0.076 0.000 1.016 146 S CA 0.680 58.988 58.200 0.180 0.000 0.943 146 S CB -0.304 63.076 63.200 0.300 0.000 0.786 146 S HN 0.576 nan 8.310 nan 0.000 0.508 147 S N -0.338 115.382 115.700 0.034 0.000 2.559 147 S HA 0.512 4.982 4.470 -0.001 0.000 0.226 147 S C 1.483 176.061 174.600 -0.038 0.000 1.030 147 S CA 0.335 58.528 58.200 -0.012 0.000 0.956 147 S CB -0.169 63.003 63.200 -0.046 0.000 0.900 147 S HN 1.344 nan 8.310 nan 0.000 0.510 148 G N 1.742 110.511 108.800 -0.052 0.000 2.225 148 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.267 148 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.267 148 G C -0.057 174.823 174.900 -0.035 0.000 1.024 148 G CA 0.447 45.499 45.100 -0.079 0.000 0.784 148 G HN 0.624 nan 8.290 nan 0.000 0.507 149 I N 0.326 120.893 120.570 -0.005 0.000 2.342 149 I HA 0.495 4.664 4.170 -0.001 0.000 0.291 149 I C 0.516 176.645 176.117 0.021 0.000 1.010 149 I CA -0.634 60.690 61.300 0.040 0.000 1.308 149 I CB 1.386 39.397 38.000 0.018 0.000 1.400 149 I HN 0.181 nan 8.210 nan 0.000 0.488 150 I N 7.311 127.924 120.570 0.072 0.000 2.406 150 I HA 0.353 4.523 4.170 -0.001 0.000 0.290 150 I C -0.685 175.514 176.117 0.137 0.000 0.999 150 I CA -0.637 60.682 61.300 0.032 0.000 1.124 150 I CB 1.150 39.138 38.000 -0.021 0.000 1.289 150 I HN 0.435 nan 8.210 nan 0.000 0.441 151 L N 7.122 128.416 121.223 0.118 0.000 2.319 151 L HA 0.273 4.613 4.340 -0.001 0.000 0.280 151 L C 0.733 177.726 176.870 0.204 0.000 1.099 151 L CA -0.338 54.534 54.840 0.054 0.000 0.828 151 L CB 1.095 43.141 42.059 -0.022 0.000 1.150 151 L HN 0.722 nan 8.230 nan 0.000 0.442 152 S N 1.760 117.561 115.700 0.169 0.000 2.576 152 S HA 0.028 4.498 4.470 -0.001 0.000 0.272 152 S C 0.892 175.615 174.600 0.205 0.000 1.352 152 S CA -0.487 57.824 58.200 0.186 0.000 1.021 152 S CB 1.015 64.290 63.200 0.125 0.000 0.887 152 S HN 0.686 nan 8.310 nan 0.000 0.542 153 E N 0.689 120.983 120.200 0.158 0.000 2.051 153 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 153 E C 1.837 178.506 176.600 0.115 0.000 0.991 153 E CA 1.460 57.931 56.400 0.117 0.000 0.799 153 E CB -0.208 29.548 29.700 0.094 0.000 0.748 153 E HN 0.852 nan 8.360 nan 0.000 0.449 154 E N 0.494 120.761 120.200 0.111 0.000 2.160 154 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 154 E C 1.714 178.398 176.600 0.139 0.000 0.991 154 E CA 1.002 57.460 56.400 0.097 0.000 0.810 154 E CB -0.328 29.416 29.700 0.073 0.000 0.742 154 E HN 0.333 nan 8.360 nan 0.000 0.466 155 Y N 0.259 120.599 120.300 0.067 0.000 2.163 155 Y HA -0.124 4.426 4.550 0.000 0.000 0.288 155 Y C 2.011 177.942 175.900 0.052 0.000 1.136 155 Y CA 1.930 60.079 58.100 0.081 0.000 1.147 155 Y CB -0.270 38.274 38.460 0.140 0.000 0.987 155 Y HN 0.039 nan 8.280 nan 0.000 0.509 156 I N 0.192 120.957 120.570 0.326 0.000 2.151 156 I HA -0.362 3.808 4.170 -0.001 0.000 0.243 156 I C 2.653 178.802 176.117 0.052 0.000 1.080 156 I CA 1.617 63.026 61.300 0.181 0.000 1.339 156 I CB -0.463 37.608 38.000 0.120 0.000 1.039 156 I HN 0.146 nan 8.210 nan 0.000 0.409 157 K N 1.049 121.475 120.400 0.042 0.000 2.063 157 K HA -0.210 4.110 4.320 -0.001 0.000 0.208 157 K C 2.169 178.741 176.600 -0.046 0.000 1.048 157 K CA 1.765 58.050 56.287 -0.004 0.000 0.928 157 K CB -0.232 32.278 32.500 0.016 0.000 0.713 157 K HN 0.346 nan 8.250 nan 0.000 0.442 158 A N 1.305 124.095 122.820 -0.051 0.000 1.908 158 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 158 A C 2.292 179.796 177.584 -0.133 0.000 1.181 158 A CA 1.301 53.278 52.037 -0.099 0.000 0.627 158 A CB -0.533 18.382 19.000 -0.142 0.000 0.818 158 A HN 0.282 nan 8.150 nan 0.000 0.445 159 L N -0.894 120.248 121.223 -0.135 0.000 2.056 159 L HA -0.151 4.188 4.340 -0.001 0.000 0.207 159 L C 2.898 179.663 176.870 -0.175 0.000 1.078 159 L CA 1.400 56.160 54.840 -0.134 0.000 0.749 159 L CB -0.635 41.383 42.059 -0.069 0.000 0.901 159 L HN 0.504 nan 8.230 nan 0.000 0.433 160 S N 0.153 115.730 115.700 -0.205 0.000 2.365 160 S HA -0.273 4.197 4.470 -0.001 0.000 0.221 160 S C 1.880 176.183 174.600 -0.494 0.000 1.037 160 S CA 2.002 59.956 58.200 -0.411 0.000 1.060 160 S CB -0.216 62.795 63.200 -0.315 0.000 0.974 160 S HN 0.448 nan 8.310 nan 0.000 0.427 161 E N 0.728 120.784 120.200 -0.240 0.000 2.097 161 E HA -0.162 4.187 4.350 -0.001 0.000 0.196 161 E C 2.419 178.967 176.600 -0.086 0.000 1.000 161 E CA 1.180 57.511 56.400 -0.114 0.000 0.804 161 E CB -0.393 29.277 29.700 -0.051 0.000 0.740 161 E HN 0.644 nan 8.360 nan 0.000 0.454 162 A N 0.859 123.616 122.820 -0.106 0.000 1.858 162 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 162 A C 2.443 179.989 177.584 -0.063 0.000 1.190 162 A CA 1.456 53.448 52.037 -0.076 0.000 0.617 162 A CB -0.829 18.119 19.000 -0.087 0.000 0.827 162 A HN 0.227 nan 8.150 nan 0.000 0.443 163 V N -0.206 119.646 119.914 -0.104 0.000 2.667 163 V HA -0.229 3.890 4.120 -0.001 0.000 0.252 163 V C 2.164 178.283 176.094 0.041 0.000 1.065 163 V CA 2.354 64.617 62.300 -0.063 0.000 1.083 163 V CB -0.934 30.829 31.823 -0.101 0.000 0.692 163 V HN 0.782 nan 8.190 nan 0.000 0.468 164 H N -0.137 118.909 119.070 -0.040 0.000 2.423 164 H HA -0.100 4.455 4.556 -0.002 0.000 0.297 164 H C 2.473 177.785 175.328 -0.027 0.000 1.075 164 H CA 1.259 57.288 56.048 -0.032 0.000 1.342 164 H CB 0.051 29.797 29.762 -0.025 0.000 1.395 164 H HN 0.647 nan 8.280 nan 0.000 0.530 165 S N 0.910 116.665 115.700 0.091 0.000 2.474 165 S HA -0.087 4.382 4.470 -0.001 0.000 0.235 165 S C 1.830 176.444 174.600 0.023 0.000 0.997 165 S CA 1.036 59.261 58.200 0.042 0.000 0.949 165 S CB -0.391 62.819 63.200 0.017 0.000 0.766 165 S HN 0.323 nan 8.310 nan 0.000 0.517 166 V N -3.290 116.637 119.914 0.021 0.000 3.427 166 V HA 0.729 4.849 4.120 -0.001 0.000 0.305 166 V C 1.225 177.325 176.094 0.009 0.000 1.412 166 V CA -0.043 62.261 62.300 0.008 0.000 1.086 166 V CB -0.696 31.125 31.823 -0.003 0.000 0.964 166 V HN 0.741 nan 8.190 nan 0.000 0.439 167 G N -0.603 108.209 108.800 0.021 0.000 2.132 167 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.228 167 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.228 167 G C 0.432 175.338 174.900 0.010 0.000 1.000 167 G CA 0.108 45.213 45.100 0.008 0.000 0.693 167 G HN 1.376 nan 8.290 nan 0.000 0.515 168 G N -1.208 107.612 108.800 0.033 0.000 2.705 168 G HA2 0.819 4.778 3.960 -0.001 0.000 0.299 168 G HA3 0.819 4.778 3.960 -0.001 0.000 0.299 168 G C -0.362 174.583 174.900 0.075 0.000 1.315 168 G CA -1.118 43.992 45.100 0.017 0.000 1.045 168 G HN 0.657 nan 8.290 nan 0.000 0.517 169 L N -0.585 120.643 121.223 0.007 0.000 2.341 169 L HA 0.533 4.873 4.340 -0.001 0.000 0.267 169 L C -1.033 175.788 176.870 -0.082 0.000 1.009 169 L CA -0.949 53.904 54.840 0.021 0.000 0.819 169 L CB 2.217 44.258 42.059 -0.029 0.000 1.323 169 L HN 0.324 nan 8.230 nan 0.000 0.425 170 L N 2.516 123.702 121.223 -0.062 0.000 2.296 170 L HA 0.564 4.904 4.340 -0.001 0.000 0.286 170 L C -0.752 176.041 176.870 -0.127 0.000 1.023 170 L CA -0.243 54.514 54.840 -0.138 0.000 0.812 170 L CB 1.695 43.675 42.059 -0.132 0.000 1.223 170 L HN 0.249 nan 8.230 nan 0.000 0.421 171 V N 6.628 126.413 119.914 -0.215 0.000 2.347 171 V HA 0.470 4.590 4.120 -0.001 0.000 0.280 171 V C -0.102 175.983 176.094 -0.015 0.000 1.021 171 V CA -0.551 61.665 62.300 -0.140 0.000 0.847 171 V CB 1.341 32.982 31.823 -0.304 0.000 0.990 171 V HN 0.493 nan 8.190 nan 0.000 0.444 172 I N 3.725 124.335 120.570 0.067 0.000 2.378 172 I HA 0.356 4.525 4.170 -0.001 0.000 0.291 172 I C -0.171 176.069 176.117 0.206 0.000 0.992 172 I CA -0.445 60.933 61.300 0.131 0.000 1.154 172 I CB 1.762 39.807 38.000 0.074 0.000 1.315 172 I HN 0.591 nan 8.210 nan 0.000 0.448 173 D N 5.758 126.342 120.400 0.306 0.000 2.365 173 D HA 0.149 4.789 4.640 -0.001 0.000 0.237 173 D C 0.041 176.466 176.300 0.209 0.000 1.190 173 D CA -0.117 54.059 54.000 0.295 0.000 0.867 173 D CB 0.696 41.732 40.800 0.393 0.000 1.050 173 D HN 0.455 nan 8.370 nan 0.000 0.491 174 C N 4.902 124.290 119.300 0.146 0.000 2.563 174 C HA 0.299 4.759 4.460 -0.001 0.000 0.307 174 C C 2.276 177.309 174.990 0.071 0.000 1.371 174 C CA -0.488 58.621 59.018 0.152 0.000 1.772 174 C CB -1.620 26.203 27.740 0.139 0.000 2.283 174 C HN 0.698 nan 8.230 nan 0.000 0.570 175 I N 1.172 121.756 120.570 0.024 0.000 2.493 175 I HA -0.146 4.024 4.170 -0.001 0.000 0.254 175 I C 2.293 178.308 176.117 -0.169 0.000 1.160 175 I CA 1.638 62.900 61.300 -0.063 0.000 1.445 175 I CB 0.012 37.963 38.000 -0.082 0.000 1.086 175 I HN 0.416 nan 8.210 nan 0.000 0.433 176 A N -0.994 121.760 122.820 -0.110 0.000 2.465 176 A HA 0.191 4.511 4.320 -0.001 0.000 0.255 176 A C 2.012 179.609 177.584 0.023 0.000 1.274 176 A CA -0.036 51.961 52.037 -0.066 0.000 0.920 176 A CB -0.120 18.874 19.000 -0.010 0.000 1.033 176 A HN 0.186 nan 8.150 nan 0.000 0.516 177 S N -0.089 115.584 115.700 -0.044 0.000 2.419 177 S HA 0.225 4.695 4.470 -0.001 0.000 0.233 177 S C 1.643 176.154 174.600 -0.149 0.000 1.016 177 S CA 1.065 59.211 58.200 -0.090 0.000 0.974 177 S CB -0.379 62.897 63.200 0.127 0.000 0.786 177 S HN 1.578 nan 8.310 nan 0.000 0.492 178 G N 0.356 109.106 108.800 -0.084 0.000 2.547 178 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.271 178 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.271 178 G C 0.597 175.133 174.900 -0.606 0.000 1.209 178 G CA 0.096 45.118 45.100 -0.130 0.000 0.959 178 G HN 0.475 nan 8.290 nan 0.000 0.563 179 C N 0.785 119.620 119.300 -0.775 0.000 2.578 179 C HA 0.422 4.881 4.460 -0.001 0.000 0.285 179 C C 1.508 175.595 174.990 -1.505 0.000 1.297 179 C CA 0.249 58.358 59.018 -1.516 0.000 1.690 179 C CB -1.365 25.883 27.740 -0.820 0.000 1.773 179 C HN 0.547 nan 8.230 nan 0.000 0.594 180 V N 2.107 121.523 119.914 -0.830 0.000 2.242 180 V HA 0.008 4.128 4.120 -0.001 0.000 0.242 180 V C 0.009 176.003 176.094 -0.166 0.000 1.240 180 V CA -0.237 61.819 62.300 -0.408 0.000 1.211 180 V CB -1.050 30.619 31.823 -0.257 0.000 1.338 180 V HN 0.606 nan 8.190 nan 0.000 0.499 181 W N 4.314 125.670 121.300 0.094 0.000 2.181 181 W HA 0.491 5.150 4.660 -0.001 0.000 0.335 181 W C 0.033 176.625 176.519 0.121 0.000 1.310 181 W CA -0.695 56.698 57.345 0.080 0.000 1.226 181 W CB 0.323 29.747 29.460 -0.060 0.000 1.155 181 W HN 0.277 nan 8.180 nan 0.000 0.565 182 L N 3.403 124.863 121.223 0.394 0.000 2.322 182 L HA 0.285 4.625 4.340 -0.001 0.000 0.281 182 L C 0.236 177.257 176.870 0.252 0.000 1.014 182 L CA -0.886 54.083 54.840 0.214 0.000 0.815 182 L CB 1.101 43.183 42.059 0.039 0.000 1.247 182 L HN 0.446 nan 8.230 nan 0.000 0.421 186 E N 1.740 121.973 120.200 0.056 0.000 2.077 186 E HA -0.090 4.260 4.350 -0.001 0.000 0.193 186 E C 1.457 178.087 176.600 0.049 0.000 0.989 186 E CA 1.221 57.652 56.400 0.051 0.000 0.800 186 E CB 0.161 29.892 29.700 0.053 0.000 0.746 186 E HN 0.220 nan 8.360 nan 0.000 0.452 187 L N -1.090 120.163 121.223 0.050 0.000 2.529 187 L HA 0.239 4.578 4.340 -0.001 0.000 0.223 187 L C 1.302 178.188 176.870 0.027 0.000 1.113 187 L CA 0.325 55.188 54.840 0.037 0.000 0.861 187 L CB 0.285 42.364 42.059 0.033 0.000 1.012 187 L HN 0.364 nan 8.230 nan 0.000 0.461 188 G N 1.638 110.474 108.800 0.059 0.000 2.212 188 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.255 188 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.255 188 G C 0.043 174.986 174.900 0.071 0.000 1.062 188 G CA -0.202 44.962 45.100 0.108 0.000 0.815 188 G HN 0.273 nan 8.290 nan 0.000 0.497 189 I N 0.292 120.896 120.570 0.055 0.000 2.428 189 I HA 0.245 4.414 4.170 -0.001 0.000 0.289 189 I C 0.852 177.007 176.117 0.064 0.000 1.019 189 I CA -0.561 60.761 61.300 0.037 0.000 1.351 189 I CB 0.930 38.946 38.000 0.026 0.000 1.412 189 I HN 0.029 nan 8.210 nan 0.000 0.513 190 D N 4.353 124.786 120.400 0.055 0.000 2.323 190 D HA 0.107 4.746 4.640 -0.001 0.000 0.218 190 D C 0.019 176.335 176.300 0.028 0.000 0.973 190 D CA 1.113 55.145 54.000 0.053 0.000 0.890 190 D CB 0.917 41.755 40.800 0.062 0.000 1.011 190 D HN 0.183 nan 8.370 nan 0.000 0.499 191 V N 1.942 121.866 119.914 0.016 0.000 2.577 191 V HA 0.394 4.514 4.120 -0.001 0.000 0.303 191 V C -0.587 175.525 176.094 0.029 0.000 1.042 191 V CA -0.822 61.494 62.300 0.027 0.000 0.872 191 V CB 2.816 34.662 31.823 0.039 0.000 0.998 191 V HN -0.013 nan 8.190 nan 0.000 0.423 192 L N 6.065 127.291 121.223 0.005 0.000 2.376 192 L HA 0.698 5.037 4.340 -0.001 0.000 0.275 192 L C -1.092 175.752 176.870 -0.043 0.000 0.987 192 L CA -0.369 54.449 54.840 -0.037 0.000 0.828 192 L CB 1.416 43.392 42.059 -0.138 0.000 1.249 192 L HN 0.594 nan 8.230 nan 0.000 0.409 193 I N 4.126 124.711 120.570 0.024 0.000 2.354 193 I HA 0.470 4.640 4.170 -0.001 0.000 0.292 193 I C 0.046 176.171 176.117 0.014 0.000 0.989 193 I CA -0.069 61.258 61.300 0.044 0.000 1.188 193 I CB 1.835 39.917 38.000 0.136 0.000 1.342 193 I HN 0.581 nan 8.210 nan 0.000 0.457 194 S N 3.893 119.600 115.700 0.012 0.000 2.806 194 S HA 0.968 5.437 4.470 -0.001 0.000 0.306 194 S C -1.314 173.304 174.600 0.030 0.000 1.167 194 S CA -0.413 57.832 58.200 0.074 0.000 0.847 194 S CB 2.042 65.380 63.200 0.230 0.000 1.216 194 S HN 0.765 nan 8.310 nan 0.000 0.532 195 A N 0.933 123.779 122.820 0.044 0.000 2.612 195 A HA 0.745 5.065 4.320 -0.001 0.000 0.293 195 A C -2.739 174.759 177.584 -0.143 0.000 1.075 195 A CA -1.118 50.855 52.037 -0.106 0.000 0.680 195 A CB 1.101 20.022 19.000 -0.131 0.000 1.279 195 A HN 0.509 nan 8.150 nan 0.000 0.411 196 P HA 0.043 nan 4.420 nan 0.000 0.245 196 P C 0.137 177.338 177.300 -0.165 0.000 1.206 196 P CA 0.605 63.382 63.100 -0.539 0.000 0.781 196 P CB 0.288 31.361 31.700 -1.046 0.000 0.994 200 W N 2.484 123.834 121.300 0.084 0.000 3.077 200 W HA 0.393 5.052 4.660 -0.001 0.000 0.245 200 W C 1.304 177.927 176.519 0.173 0.000 1.316 200 W CA 0.772 58.251 57.345 0.224 0.000 1.537 200 W CB 0.283 29.953 29.460 0.351 0.000 1.131 200 W HN 0.169 nan 8.180 nan 0.000 0.695 201 S N 0.118 115.973 115.700 0.258 0.000 3.682 201 S HA -0.207 4.262 4.470 -0.001 0.000 0.354 201 S C 0.080 174.785 174.600 0.176 0.000 1.034 201 S CA 0.780 59.090 58.200 0.182 0.000 1.084 201 S CB -1.835 61.475 63.200 0.185 0.000 0.903 201 S HN 0.269 nan 8.310 nan 0.000 0.470 202 S N -0.909 114.874 115.700 0.139 0.000 2.851 202 S HA 0.759 5.229 4.470 -0.001 0.000 0.317 202 S C 0.079 174.685 174.600 0.011 0.000 1.144 202 S CA 0.079 58.336 58.200 0.096 0.000 0.862 202 S CB 2.015 65.306 63.200 0.152 0.000 1.259 202 S HN 0.414 nan 8.310 nan 0.000 0.564 203 T N 2.458 117.010 114.554 -0.003 0.000 2.913 203 T HA 0.548 4.898 4.350 -0.001 0.000 0.297 203 T C -2.632 172.014 174.700 -0.090 0.000 1.029 203 T CA -1.413 60.667 62.100 -0.033 0.000 1.104 203 T CB 0.546 69.406 68.868 -0.013 0.000 0.964 203 T HN 0.318 nan 8.240 nan 0.000 0.532 204 P HA 0.297 nan 4.420 nan 0.000 0.275 204 P C 0.152 177.368 177.300 -0.141 0.000 1.228 204 P CA -0.405 62.612 63.100 -0.137 0.000 0.786 204 P CB 0.414 32.044 31.700 -0.117 0.000 0.927 205 C N 0.177 119.365 119.300 -0.186 0.000 5.176 205 C HA 0.729 5.188 4.460 -0.001 0.000 0.383 205 C C 0.073 174.928 174.990 -0.226 0.000 1.565 205 C CA 0.353 59.264 59.018 -0.177 0.000 2.028 205 C CB -0.553 27.114 27.740 -0.121 0.000 2.575 205 C HN 0.678 nan 8.230 nan 0.000 0.541 206 A N 0.597 123.261 122.820 -0.260 0.000 2.605 206 A HA 0.793 5.113 4.320 -0.001 0.000 0.294 206 A C -0.332 177.103 177.584 -0.248 0.000 1.062 206 A CA 0.477 52.353 52.037 -0.269 0.000 0.682 206 A CB 0.217 19.081 19.000 -0.227 0.000 1.278 206 A HN 1.624 nan 8.150 nan 0.000 0.410 207 G N 0.001 108.669 108.800 -0.219 0.000 2.377 207 G HA2 0.579 4.538 3.960 -0.001 0.000 0.299 207 G HA3 0.579 4.538 3.960 -0.001 0.000 0.299 207 G C -0.709 174.120 174.900 -0.120 0.000 1.150 207 G CA -0.475 44.540 45.100 -0.142 0.000 0.847 207 G HN 0.701 nan 8.290 nan 0.000 0.501 208 L N 2.208 123.392 121.223 -0.066 0.000 2.325 208 L HA 0.543 4.883 4.340 -0.001 0.000 0.281 208 L C -0.192 176.674 176.870 -0.005 0.000 1.004 208 L CA -0.820 54.006 54.840 -0.024 0.000 0.823 208 L CB 1.762 43.839 42.059 0.030 0.000 1.236 208 L HN 0.200 nan 8.230 nan 0.000 0.415 212 S N 0.706 116.424 115.700 0.031 0.000 2.655 212 S HA 0.615 5.084 4.470 -0.001 0.000 0.265 212 S C 1.204 175.812 174.600 0.013 0.000 1.240 212 S CA 0.048 58.264 58.200 0.026 0.000 0.986 212 S CB 1.710 64.927 63.200 0.030 0.000 0.985 212 S HN 0.812 nan 8.310 nan 0.000 0.562 213 A N 1.209 124.032 122.820 0.004 0.000 1.908 213 A HA 0.067 4.386 4.320 -0.001 0.000 0.218 213 A C 2.378 179.953 177.584 -0.016 0.000 1.181 213 A CA 2.055 54.089 52.037 -0.005 0.000 0.627 213 A CB -1.730 17.264 19.000 -0.010 0.000 0.818 213 A HN 1.352 nan 8.150 nan 0.000 0.445 214 A N -0.410 122.391 122.820 -0.030 0.000 1.930 214 A HA 0.240 4.559 4.320 -0.001 0.000 0.217 214 A C 2.490 180.059 177.584 -0.025 0.000 1.175 214 A CA 1.855 53.864 52.037 -0.046 0.000 0.627 214 A CB -0.937 18.006 19.000 -0.095 0.000 0.815 214 A HN 1.039 nan 8.150 nan 0.000 0.443 215 A N 0.140 122.955 122.820 -0.009 0.000 1.902 215 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 215 A C 2.097 179.685 177.584 0.006 0.000 1.181 215 A CA 1.554 53.592 52.037 0.002 0.000 0.623 215 A CB -0.627 18.382 19.000 0.014 0.000 0.818 215 A HN 0.489 nan 8.150 nan 0.000 0.443 216 I N -0.503 120.071 120.570 0.007 0.000 2.226 216 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 216 I C 2.576 178.695 176.117 0.002 0.000 1.100 216 I CA 1.731 63.036 61.300 0.009 0.000 1.374 216 I CB -0.225 37.781 38.000 0.010 0.000 1.057 216 I HN 0.346 nan 8.210 nan 0.000 0.413 217 K N 1.265 121.662 120.400 -0.005 0.000 2.057 217 K HA -0.253 4.066 4.320 -0.001 0.000 0.207 217 K C 2.179 178.775 176.600 -0.007 0.000 1.049 217 K CA 1.625 57.907 56.287 -0.009 0.000 0.931 217 K CB 0.028 32.519 32.500 -0.016 0.000 0.714 217 K HN 0.005 nan 8.250 nan 0.000 0.440 218 K N 0.475 120.871 120.400 -0.007 0.000 2.103 218 K HA -0.025 4.294 4.320 -0.001 0.000 0.204 218 K C 1.840 178.441 176.600 0.003 0.000 1.052 218 K CA 0.801 57.086 56.287 -0.003 0.000 0.945 218 K CB -0.059 32.438 32.500 -0.005 0.000 0.722 218 K HN -0.045 nan 8.250 nan 0.000 0.443 219 V N 1.592 121.510 119.914 0.007 0.000 2.343 219 V HA -0.210 3.910 4.120 -0.001 0.000 0.247 219 V C 2.016 178.111 176.094 0.002 0.000 1.051 219 V CA 1.852 64.158 62.300 0.011 0.000 1.036 219 V CB -0.434 31.400 31.823 0.018 0.000 0.654 219 V HN 0.350 nan 8.190 nan 0.000 0.451 220 E N 0.626 120.825 120.200 -0.001 0.000 2.150 220 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 220 E C 2.285 178.881 176.600 -0.006 0.000 0.985 220 E CA 1.511 57.907 56.400 -0.006 0.000 0.814 220 E CB -0.280 29.417 29.700 -0.005 0.000 0.752 220 E HN 0.754 nan 8.360 nan 0.000 0.466 221 S N -0.277 115.421 115.700 -0.004 0.000 2.577 221 S HA 0.068 4.538 4.470 -0.001 0.000 0.219 221 S C 0.763 175.363 174.600 -0.000 0.000 0.962 221 S CA -0.172 58.026 58.200 -0.003 0.000 0.921 221 S CB -0.152 63.045 63.200 -0.003 0.000 0.789 221 S HN 0.124 nan 8.310 nan 0.000 0.497 222 T N -0.910 113.644 114.554 0.001 0.000 2.940 222 T HA 0.722 5.072 4.350 -0.001 0.000 0.288 222 T C -1.207 173.491 174.700 -0.002 0.000 1.045 222 T CA -0.680 61.422 62.100 0.004 0.000 1.018 222 T CB 1.832 70.706 68.868 0.010 0.000 1.151 222 T HN 0.059 nan 8.240 nan 0.000 0.529 223 E N 0.527 120.725 120.200 -0.002 0.000 2.216 223 E HA 0.496 4.845 4.350 -0.001 0.000 0.260 223 E C -0.543 176.046 176.600 -0.017 0.000 0.880 223 E CA -0.299 56.096 56.400 -0.009 0.000 0.765 223 E CB 1.829 31.528 29.700 -0.003 0.000 1.174 223 E HN 0.711 nan 8.360 nan 0.000 0.417 224 S N 2.634 118.318 115.700 -0.028 0.000 2.584 224 S HA 0.057 4.527 4.470 -0.001 0.000 0.270 224 S C 0.761 175.331 174.600 -0.051 0.000 1.346 224 S CA -0.139 58.031 58.200 -0.050 0.000 1.018 224 S CB 0.286 63.460 63.200 -0.043 0.000 0.899 224 S HN 0.620 nan 8.310 nan 0.000 0.542 225 N N 1.637 120.276 118.700 -0.102 0.000 2.251 225 N HA 0.118 4.858 4.740 -0.001 0.000 0.217 225 N C -0.513 174.968 175.510 -0.049 0.000 1.124 225 N CA -0.303 52.700 53.050 -0.078 0.000 0.843 225 N CB -0.438 37.977 38.487 -0.121 0.000 1.024 225 N HN 0.284 nan 8.380 nan 0.000 0.501 226 C N 0.506 119.792 119.300 -0.023 0.000 2.442 226 C HA 0.424 4.883 4.460 -0.001 0.000 0.335 226 C C 1.208 176.267 174.990 0.115 0.000 1.134 226 C CA -1.241 57.800 59.018 0.037 0.000 1.344 226 C CB -1.260 26.472 27.740 -0.014 0.000 1.956 226 C HN 0.403 nan 8.230 nan 0.000 0.438 227 F N 3.964 123.933 119.950 0.032 0.000 2.065 227 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 227 F C 2.184 178.097 175.800 0.188 0.000 1.112 227 F CA 2.688 60.736 58.000 0.080 0.000 1.212 227 F CB 0.011 39.043 39.000 0.053 0.000 0.975 227 F HN 0.610 nan 8.300 nan 0.000 0.476 228 S N 0.286 116.109 115.700 0.204 0.000 2.383 228 S HA -0.049 4.421 4.470 -0.001 0.000 0.227 228 S C 1.559 176.361 174.600 0.336 0.000 1.026 228 S CA 1.248 59.558 58.200 0.183 0.000 0.981 228 S CB -0.338 62.991 63.200 0.215 0.000 0.818 228 S HN 0.355 nan 8.310 nan 0.000 0.472 229 L N 1.527 122.891 121.223 0.234 0.000 2.872 229 L HA 0.273 4.612 4.340 -0.001 0.000 0.245 229 L C 0.019 177.014 176.870 0.208 0.000 1.211 229 L CA -0.276 54.716 54.840 0.253 0.000 1.013 229 L CB -0.010 42.111 42.059 0.105 0.000 1.326 229 L HN 0.059 nan 8.230 nan 0.000 0.525 230 D N 1.312 121.784 120.400 0.120 0.000 2.349 230 D HA -0.046 4.594 4.640 -0.001 0.000 0.266 230 D C 0.967 177.310 176.300 0.070 0.000 1.293 230 D CA 0.025 54.019 54.000 -0.010 0.000 0.926 230 D CB 1.281 41.956 40.800 -0.208 0.000 1.090 230 D HN 0.032 nan 8.370 nan 0.000 0.502 231 L N 5.743 127.024 121.223 0.097 0.000 2.046 231 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 231 L C 2.196 179.108 176.870 0.070 0.000 1.077 231 L CA 1.746 56.663 54.840 0.129 0.000 0.747 231 L CB -0.502 41.614 42.059 0.094 0.000 0.896 231 L HN 0.429 nan 8.230 nan 0.000 0.432 232 K N -0.968 119.432 120.400 0.001 0.000 2.063 232 K HA -0.275 4.044 4.320 -0.001 0.000 0.208 232 K C 2.201 178.741 176.600 -0.101 0.000 1.048 232 K CA 1.858 58.124 56.287 -0.035 0.000 0.928 232 K CB -0.046 32.425 32.500 -0.048 0.000 0.713 232 K HN 0.418 nan 8.250 nan 0.000 0.442 233 Q N -0.344 119.321 119.800 -0.225 0.000 2.123 233 Q HA -0.121 4.219 4.340 -0.001 0.000 0.199 233 Q C 1.535 177.266 176.000 -0.448 0.000 0.966 233 Q CA 1.756 57.288 55.803 -0.452 0.000 0.845 233 Q CB -0.338 27.910 28.738 -0.817 0.000 0.907 233 Q HN 0.395 nan 8.270 nan 0.000 0.439 234 W N -0.386 120.780 121.300 -0.222 0.000 2.425 234 W HA -0.056 4.603 4.660 -0.001 0.000 0.277 234 W C 1.746 178.236 176.519 -0.049 0.000 1.231 234 W CA 0.353 57.628 57.345 -0.118 0.000 1.248 234 W CB -0.151 29.268 29.460 -0.068 0.000 1.117 234 W HN 0.262 nan 8.180 nan 0.000 0.568 235 L N 0.241 121.548 121.223 0.140 0.000 2.093 235 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 235 L C 2.194 179.100 176.870 0.061 0.000 1.085 235 L CA 2.135 57.032 54.840 0.096 0.000 0.755 235 L CB -1.219 40.874 42.059 0.058 0.000 0.904 235 L HN -0.174 nan 8.230 nan 0.000 0.435 236 T N 0.680 115.234 114.554 0.001 0.000 2.684 236 T HA -0.085 4.264 4.350 -0.001 0.000 0.267 236 T C 1.247 175.956 174.700 0.016 0.000 1.036 236 T CA 0.962 63.049 62.100 -0.021 0.000 1.148 236 T CB -0.296 68.523 68.868 -0.083 0.000 0.863 236 T HN 0.080 nan 8.240 nan 0.000 0.436 240 A N 0.632 123.476 122.820 0.039 0.000 1.902 240 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 240 A C 1.521 179.051 177.584 -0.089 0.000 1.181 240 A CA 1.396 53.397 52.037 -0.060 0.000 0.623 240 A CB -0.560 18.363 19.000 -0.128 0.000 0.818 240 A HN 0.307 nan 8.150 nan 0.000 0.443 241 Y N 0.113 120.459 120.300 0.076 0.000 2.200 241 Y HA -0.152 4.398 4.550 -0.001 0.000 0.290 241 Y C 2.465 178.380 175.900 0.024 0.000 1.137 241 Y CA 1.701 59.840 58.100 0.065 0.000 1.163 241 Y CB -0.393 38.100 38.460 0.056 0.000 0.988 241 Y HN 0.412 nan 8.280 nan 0.000 0.518 242 E N -0.152 120.146 120.200 0.163 0.000 2.160 242 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 242 E C 1.244 177.872 176.600 0.047 0.000 0.991 242 E CA 1.161 57.610 56.400 0.083 0.000 0.810 242 E CB -0.197 29.540 29.700 0.062 0.000 0.742 242 E HN 0.442 nan 8.360 nan 0.000 0.466 243 N N -0.510 118.209 118.700 0.030 0.000 2.461 243 N HA 0.011 4.750 4.740 -0.001 0.000 0.188 243 N C 0.804 176.312 175.510 -0.002 0.000 1.134 243 N CA 0.941 53.995 53.050 0.005 0.000 0.878 243 N CB 1.083 39.563 38.487 -0.012 0.000 0.972 243 N HN 0.301 nan 8.380 nan 0.000 0.456 244 G N -1.444 107.365 108.800 0.014 0.000 2.159 244 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.227 244 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.227 244 G C 0.447 175.345 174.900 -0.002 0.000 0.986 244 G CA 0.049 45.159 45.100 0.017 0.000 0.651 244 G HN 0.671 nan 8.290 nan 0.000 0.523 245 G N -0.610 108.152 108.800 -0.064 0.000 3.264 245 G HA2 0.895 4.855 3.960 -0.001 0.000 0.168 245 G HA3 0.895 4.855 3.960 -0.001 0.000 0.168 245 G C -0.494 174.234 174.900 -0.287 0.000 1.145 245 G CA 0.487 45.484 45.100 -0.171 0.000 0.855 245 G HN 1.568 nan 8.290 nan 0.000 0.629 246 H N -2.849 116.007 119.070 -0.357 0.000 2.981 246 H HA 0.838 5.394 4.556 -0.001 0.000 0.327 246 H C -0.649 174.524 175.328 -0.258 0.000 1.342 246 H CA -0.606 55.035 56.048 -0.678 0.000 1.123 246 H CB 1.336 30.942 29.762 -0.261 0.000 1.851 246 H HN 1.138 nan 8.280 nan 0.000 0.531 247 A N 0.261 123.121 122.820 0.066 0.000 2.601 247 A HA 0.570 4.889 4.320 -0.001 0.000 0.291 247 A C -2.272 175.500 177.584 0.314 0.000 1.075 247 A CA -0.755 51.397 52.037 0.192 0.000 0.671 247 A CB 1.404 20.434 19.000 0.049 0.000 1.277 247 A HN 0.862 nan 8.150 nan 0.000 0.417 248 Y N 0.024 120.398 120.300 0.124 0.000 2.442 248 Y HA 0.660 5.210 4.550 -0.000 0.000 0.344 248 Y C 0.360 176.259 175.900 -0.002 0.000 0.976 248 Y CA -0.211 57.904 58.100 0.025 0.000 1.040 248 Y CB 1.903 40.417 38.460 0.091 0.000 1.228 248 Y HN 0.995 nan 8.280 nan 0.000 0.451 249 H N 3.494 121.991 119.070 -0.956 0.000 2.179 249 H HA 0.729 5.285 4.556 -0.001 0.000 0.246 249 H C -1.029 173.569 175.328 -1.216 0.000 0.904 249 H CA 0.911 56.362 56.048 -0.996 0.000 1.113 249 H CB 0.829 29.857 29.762 -1.223 0.000 1.396 249 H HN 0.678 nan 8.280 nan 0.000 0.484 250 A N 0.108 122.256 122.820 -1.119 0.000 2.539 250 A HA 0.578 4.897 4.320 -0.001 0.000 0.296 250 A C -0.154 177.297 177.584 -0.223 0.000 1.073 250 A CA -0.289 51.385 52.037 -0.605 0.000 0.700 250 A CB 0.904 19.806 19.000 -0.164 0.000 1.296 250 A HN 0.298 nan 8.150 nan 0.000 0.405 254 T N -2.455 112.061 114.554 -0.063 0.000 2.674 254 T HA -0.170 4.179 4.350 -0.001 0.000 0.265 254 T C 1.246 175.955 174.700 0.016 0.000 1.039 254 T CA 1.793 63.757 62.100 -0.227 0.000 1.150 254 T CB -0.204 68.294 68.868 -0.616 0.000 0.864 254 T HN 0.227 nan 8.240 nan 0.000 0.427 255 D N 1.389 121.790 120.400 0.003 0.000 2.178 255 D HA -0.031 4.609 4.640 -0.001 0.000 0.202 255 D C 2.428 178.769 176.300 0.069 0.000 0.974 255 D CA 1.237 55.262 54.000 0.041 0.000 0.841 255 D CB -0.186 40.627 40.800 0.021 0.000 0.953 255 D HN 0.430 nan 8.370 nan 0.000 0.478 256 S N 0.813 116.548 115.700 0.060 0.000 2.383 256 S HA -0.035 4.434 4.470 -0.001 0.000 0.227 256 S C 2.251 176.917 174.600 0.110 0.000 1.026 256 S CA 0.374 58.608 58.200 0.058 0.000 0.981 256 S CB -0.074 63.134 63.200 0.013 0.000 0.818 256 S HN 0.226 nan 8.310 nan 0.000 0.472 257 L N 0.979 122.296 121.223 0.158 0.000 2.141 257 L HA -0.012 4.328 4.340 -0.001 0.000 0.209 257 L C 2.655 179.639 176.870 0.191 0.000 1.094 257 L CA 1.025 56.003 54.840 0.231 0.000 0.763 257 L CB -0.351 41.880 42.059 0.287 0.000 0.908 257 L HN 0.237 nan 8.230 nan 0.000 0.437 258 R N 0.122 120.729 120.500 0.178 0.000 2.075 258 R HA -0.215 4.125 4.340 -0.001 0.000 0.232 258 R C 2.333 178.682 176.300 0.080 0.000 1.126 258 R CA 1.511 57.674 56.100 0.106 0.000 0.963 258 R CB -0.197 30.171 30.300 0.113 0.000 0.858 258 R HN 0.344 nan 8.270 nan 0.000 0.435 259 Q N -0.499 119.363 119.800 0.103 0.000 2.096 259 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 259 Q C 1.800 177.898 176.000 0.162 0.000 0.982 259 Q CA 1.735 57.601 55.803 0.105 0.000 0.850 259 Q CB -0.198 28.595 28.738 0.091 0.000 0.901 259 Q HN 0.395 nan 8.270 nan 0.000 0.422 260 F N 1.571 121.513 119.950 -0.012 0.000 2.134 260 F HA -0.176 4.350 4.527 -0.001 0.000 0.299 260 F C 2.339 178.093 175.800 -0.077 0.000 1.097 260 F CA 1.492 59.465 58.000 -0.046 0.000 1.264 260 F CB -0.491 38.457 39.000 -0.087 0.000 1.001 260 F HN 0.021 nan 8.300 nan 0.000 0.479 261 R N 0.944 121.346 120.500 -0.163 0.000 2.083 261 R HA -0.166 4.174 4.340 -0.001 0.000 0.237 261 R C 1.722 177.928 176.300 -0.157 0.000 1.137 261 R CA 2.123 58.046 56.100 -0.294 0.000 0.951 261 R CB -1.094 29.084 30.300 -0.203 0.000 0.851 261 R HN 0.261 nan 8.270 nan 0.000 0.434 262 D N 0.348 120.720 120.400 -0.046 0.000 2.144 262 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 262 D C 1.719 178.040 176.300 0.035 0.000 0.984 262 D CA 1.518 55.516 54.000 -0.003 0.000 0.834 262 D CB -0.247 40.566 40.800 0.023 0.000 0.955 262 D HN 0.359 nan 8.370 nan 0.000 0.465 263 A N 0.702 123.575 122.820 0.088 0.000 1.898 263 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 263 A C 2.363 180.075 177.584 0.213 0.000 1.181 263 A CA 0.656 52.804 52.037 0.185 0.000 0.620 263 A CB -0.623 18.562 19.000 0.308 0.000 0.819 263 A HN 0.164 nan 8.150 nan 0.000 0.442 264 I N -0.100 120.509 120.570 0.064 0.000 2.163 264 I HA -0.288 3.881 4.170 -0.001 0.000 0.243 264 I C 2.328 178.507 176.117 0.104 0.000 1.085 264 I CA 1.353 62.681 61.300 0.047 0.000 1.347 264 I CB -0.386 37.377 38.000 -0.396 0.000 1.044 264 I HN 0.307 nan 8.210 nan 0.000 0.408 265 L N 0.116 121.338 121.223 -0.002 0.000 2.141 265 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 265 L C 2.548 179.407 176.870 -0.018 0.000 1.094 265 L CA 1.179 56.005 54.840 -0.025 0.000 0.763 265 L CB -0.630 41.402 42.059 -0.045 0.000 0.908 265 L HN 0.329 nan 8.230 nan 0.000 0.437 266 E N 0.709 120.927 120.200 0.029 0.000 2.077 266 E HA -0.241 4.108 4.350 -0.001 0.000 0.193 266 E C 2.252 178.866 176.600 0.024 0.000 0.989 266 E CA 1.273 57.693 56.400 0.032 0.000 0.800 266 E CB 0.041 29.782 29.700 0.068 0.000 0.746 266 E HN 0.441 nan 8.360 nan 0.000 0.452 267 A N 1.561 124.440 122.820 0.098 0.000 1.877 267 A HA -0.234 4.086 4.320 -0.001 0.000 0.216 267 A C 2.136 179.569 177.584 -0.251 0.000 1.186 267 A CA 1.809 53.906 52.037 0.099 0.000 0.620 267 A CB -0.563 18.700 19.000 0.439 0.000 0.822 267 A HN 0.205 nan 8.150 nan 0.000 0.443 268 K N -0.702 119.439 120.400 -0.432 0.000 2.074 268 K HA -0.218 4.102 4.320 -0.001 0.000 0.209 268 K C 2.087 178.408 176.600 -0.465 0.000 1.048 268 K CA 1.659 57.428 56.287 -0.864 0.000 0.926 268 K CB -0.126 32.110 32.500 -0.440 0.000 0.713 268 K HN 0.483 nan 8.250 nan 0.000 0.444 269 E N 0.766 120.825 120.200 -0.236 0.000 2.150 269 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 269 E C 1.990 178.519 176.600 -0.119 0.000 0.985 269 E CA 0.869 57.184 56.400 -0.142 0.000 0.814 269 E CB -0.030 29.622 29.700 -0.081 0.000 0.752 269 E HN 0.387 nan 8.360 nan 0.000 0.466 270 I N -0.188 120.315 120.570 -0.111 0.000 2.163 270 I HA -0.104 4.066 4.170 -0.001 0.000 0.240 270 I C 1.094 177.163 176.117 -0.080 0.000 1.081 270 I CA 1.133 62.394 61.300 -0.064 0.000 1.353 270 I CB -0.006 37.984 38.000 -0.017 0.000 1.054 270 I HN 0.173 nan 8.210 nan 0.000 0.407 271 G N -0.479 108.224 108.800 -0.161 0.000 3.160 271 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.573 271 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.573 271 G C -0.201 174.689 174.900 -0.017 0.000 1.286 271 G CA -0.830 44.187 45.100 -0.139 0.000 1.151 271 G HN -0.034 nan 8.290 nan 0.000 0.555 272 F N 0.995 120.986 119.950 0.067 0.000 2.161 272 F HA -0.026 4.501 4.527 -0.000 0.000 0.300 272 F C 2.351 178.364 175.800 0.355 0.000 1.089 272 F CA 1.803 59.891 58.000 0.146 0.000 1.282 272 F CB -0.070 38.771 39.000 -0.265 0.000 1.010 272 F HN 0.479 nan 8.300 nan 0.000 0.485 273 D N 0.136 120.757 120.400 0.368 0.000 2.123 273 D HA -0.105 4.534 4.640 -0.001 0.000 0.200 273 D C 2.563 179.001 176.300 0.230 0.000 0.976 273 D CA 1.025 55.206 54.000 0.302 0.000 0.831 273 D CB -0.407 40.510 40.800 0.195 0.000 0.974 273 D HN 0.247 nan 8.370 nan 0.000 0.469 274 I N 0.901 121.572 120.570 0.168 0.000 2.208 274 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 274 I C 2.418 178.615 176.117 0.133 0.000 1.097 274 I CA 0.887 62.258 61.300 0.119 0.000 1.363 274 I CB -0.237 37.807 38.000 0.073 0.000 1.051 274 I HN -0.017 nan 8.210 nan 0.000 0.413 275 L N 0.077 121.413 121.223 0.187 0.000 2.141 275 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 275 L C 2.782 179.698 176.870 0.076 0.000 1.094 275 L CA 1.014 55.948 54.840 0.156 0.000 0.763 275 L CB -0.572 41.644 42.059 0.261 0.000 0.908 275 L HN 0.235 nan 8.230 nan 0.000 0.437 276 R N 0.457 121.048 120.500 0.151 0.000 2.070 276 R HA -0.183 4.156 4.340 -0.001 0.000 0.233 276 R C 1.786 178.167 176.300 0.134 0.000 1.137 276 R CA 2.086 58.206 56.100 0.033 0.000 0.945 276 R CB -0.150 30.255 30.300 0.176 0.000 0.845 276 R HN 0.254 nan 8.270 nan 0.000 0.430 277 D N 0.248 120.756 120.400 0.181 0.000 2.144 277 D HA -0.105 4.534 4.640 -0.001 0.000 0.199 277 D C 1.701 178.083 176.300 0.136 0.000 0.984 277 D CA 1.501 55.614 54.000 0.188 0.000 0.834 277 D CB -0.180 40.697 40.800 0.127 0.000 0.955 277 D HN 0.395 nan 8.370 nan 0.000 0.465 278 A N 0.328 123.193 122.820 0.074 0.000 1.933 278 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 278 A C 2.138 179.710 177.584 -0.019 0.000 1.175 278 A CA 1.809 53.864 52.037 0.030 0.000 0.628 278 A CB -0.645 18.367 19.000 0.019 0.000 0.814 278 A HN 0.178 nan 8.150 nan 0.000 0.444 279 Q N -1.125 118.623 119.800 -0.087 0.000 2.050 279 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 279 Q C 1.760 177.620 176.000 -0.232 0.000 0.980 279 Q CA 2.082 57.742 55.803 -0.238 0.000 0.840 279 Q CB -0.396 28.098 28.738 -0.408 0.000 0.898 279 Q HN 0.781 nan 8.270 nan 0.000 0.424 280 W N 0.202 121.440 121.300 -0.103 0.000 2.355 280 W HA -0.131 4.528 4.660 -0.001 0.000 0.309 280 W C 2.309 178.783 176.519 -0.075 0.000 1.206 280 W CA 1.018 58.310 57.345 -0.088 0.000 1.284 280 W CB -0.193 29.229 29.460 -0.064 0.000 1.145 280 W HN 0.253 nan 8.180 nan 0.000 0.502 281 E N 0.524 120.823 120.200 0.165 0.000 2.110 281 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 281 E C 1.928 178.546 176.600 0.029 0.000 0.988 281 E CA 1.202 57.654 56.400 0.086 0.000 0.804 281 E CB -0.604 29.134 29.700 0.062 0.000 0.745 281 E HN 0.122 nan 8.360 nan 0.000 0.458 282 L N -0.115 121.098 121.223 -0.017 0.000 1.994 282 L HA 0.034 4.373 4.340 -0.001 0.000 0.208 282 L C 2.202 179.017 176.870 -0.092 0.000 1.071 282 L CA 2.479 57.280 54.840 -0.065 0.000 0.745 282 L CB -1.229 40.763 42.059 -0.111 0.000 0.892 282 L HN 0.237 nan 8.230 nan 0.000 0.431 283 G N -0.742 107.985 108.800 -0.121 0.000 2.446 283 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.217 283 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.217 283 G C 1.438 176.308 174.900 -0.051 0.000 1.168 283 G CA 0.929 45.943 45.100 -0.143 0.000 0.771 283 G HN 0.470 nan 8.290 nan 0.000 0.551 284 N N 0.515 119.234 118.700 0.032 0.000 2.120 284 N HA -0.044 4.695 4.740 -0.001 0.000 0.188 284 N C 2.328 177.851 175.510 0.022 0.000 1.024 284 N CA 0.768 53.848 53.050 0.050 0.000 0.852 284 N CB -0.336 38.200 38.487 0.081 0.000 1.003 284 N HN 0.346 nan 8.380 nan 0.000 0.424 285 R N 0.188 120.697 120.500 0.014 0.000 2.075 285 R HA 0.040 4.379 4.340 -0.001 0.000 0.232 285 R C 2.110 178.425 176.300 0.025 0.000 1.126 285 R CA 0.685 56.799 56.100 0.022 0.000 0.963 285 R CB -0.364 29.950 30.300 0.023 0.000 0.858 285 R HN 0.026 nan 8.270 nan 0.000 0.435 286 V N 1.007 120.907 119.914 -0.023 0.000 2.343 286 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 286 V C 2.263 178.347 176.094 -0.016 0.000 1.051 286 V CA 1.700 63.966 62.300 -0.057 0.000 1.036 286 V CB -0.444 31.221 31.823 -0.262 0.000 0.654 286 V HN 0.288 nan 8.190 nan 0.000 0.451 287 R N 0.030 120.509 120.500 -0.035 0.000 2.096 287 R HA -0.211 4.129 4.340 -0.001 0.000 0.235 287 R C 2.366 178.691 176.300 0.041 0.000 1.127 287 R CA 1.615 57.712 56.100 -0.006 0.000 0.968 287 R CB -0.297 29.996 30.300 -0.012 0.000 0.861 287 R HN 0.343 nan 8.270 nan 0.000 0.440 288 K N 0.753 121.181 120.400 0.047 0.000 2.057 288 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 288 K C 1.783 178.431 176.600 0.080 0.000 1.050 288 K CA 1.241 57.561 56.287 0.056 0.000 0.935 288 K CB -0.332 32.196 32.500 0.046 0.000 0.715 288 K HN -0.066 nan 8.250 nan 0.000 0.439 289 V N 1.240 121.220 119.914 0.110 0.000 2.332 289 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 289 V C 2.307 178.501 176.094 0.166 0.000 1.055 289 V CA 1.910 64.298 62.300 0.148 0.000 1.038 289 V CB -0.433 31.529 31.823 0.232 0.000 0.651 289 V HN 0.272 nan 8.190 nan 0.000 0.450 290 L N 0.169 121.507 121.223 0.191 0.000 2.023 290 L HA -0.138 4.201 4.340 -0.001 0.000 0.205 290 L C 2.825 179.776 176.870 0.134 0.000 1.073 290 L CA 2.065 57.024 54.840 0.198 0.000 0.745 290 L CB -1.153 41.021 42.059 0.191 0.000 0.900 290 L HN 0.535 nan 8.230 nan 0.000 0.435 291 T N -3.807 110.806 114.554 0.098 0.000 2.833 291 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 291 T C 1.474 176.216 174.700 0.070 0.000 1.054 291 T CA 1.285 63.432 62.100 0.078 0.000 1.135 291 T CB -0.442 68.463 68.868 0.061 0.000 0.869 291 T HN 0.176 nan 8.240 nan 0.000 0.466 292 D N 1.355 121.797 120.400 0.069 0.000 2.182 292 D HA -0.034 4.606 4.640 -0.001 0.000 0.201 292 D C 1.805 178.138 176.300 0.055 0.000 0.986 292 D CA 0.892 54.926 54.000 0.056 0.000 0.847 292 D CB -0.074 40.758 40.800 0.055 0.000 0.942 292 D HN 0.341 nan 8.370 nan 0.000 0.467 293 K N -0.394 120.049 120.400 0.071 0.000 2.437 293 K HA 0.221 4.541 4.320 -0.001 0.000 0.198 293 K C 1.027 177.669 176.600 0.070 0.000 1.024 293 K CA 0.283 56.608 56.287 0.064 0.000 1.148 293 K CB 0.776 33.319 32.500 0.072 0.000 0.860 293 K HN 0.140 nan 8.250 nan 0.000 0.515 294 G N 1.867 110.710 108.800 0.071 0.000 2.143 294 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.248 294 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.248 294 G C 0.131 175.087 174.900 0.093 0.000 0.991 294 G CA -0.095 45.047 45.100 0.069 0.000 0.689 294 G HN 0.333 nan 8.290 nan 0.000 0.522 295 I N 1.338 121.982 120.570 0.123 0.000 2.312 295 I HA 0.302 4.472 4.170 -0.001 0.000 0.291 295 I C 0.042 176.240 176.117 0.134 0.000 1.031 295 I CA -0.700 60.697 61.300 0.162 0.000 1.293 295 I CB 0.925 39.069 38.000 0.238 0.000 1.403 295 I HN -0.020 nan 8.210 nan 0.000 0.484 296 E N 4.346 124.638 120.200 0.153 0.000 2.277 296 E HA 0.239 4.589 4.350 -0.001 0.000 0.274 296 E C -0.329 176.364 176.600 0.155 0.000 1.022 296 E CA -0.421 56.074 56.400 0.159 0.000 0.853 296 E CB 1.774 31.575 29.700 0.167 0.000 1.086 296 E HN 0.454 nan 8.360 nan 0.000 0.397 297 S N 0.808 116.573 115.700 0.108 0.000 2.548 297 S HA 0.095 4.564 4.470 -0.001 0.000 0.277 297 S C 1.085 175.724 174.600 0.066 0.000 1.315 297 S CA -0.611 57.605 58.200 0.028 0.000 1.050 297 S CB 0.570 63.793 63.200 0.039 0.000 0.918 297 S HN 0.302 nan 8.310 nan 0.000 0.497 298 V N 4.053 123.879 119.914 -0.145 0.000 2.871 298 V HA 0.144 4.264 4.120 -0.001 0.000 0.256 298 V C 1.274 177.456 176.094 0.147 0.000 1.082 298 V CA 1.228 63.451 62.300 -0.129 0.000 1.105 298 V CB -1.006 30.591 31.823 -0.377 0.000 0.713 298 V HN 0.888 nan 8.190 nan 0.000 0.473 299 A N 0.443 123.320 122.820 0.094 0.000 2.289 299 A HA 0.762 5.081 4.320 -0.001 0.000 0.298 299 A C 0.363 178.062 177.584 0.192 0.000 1.208 299 A CA 0.091 52.218 52.037 0.149 0.000 0.845 299 A CB 0.506 19.570 19.000 0.105 0.000 1.125 299 A HN 0.434 nan 8.150 nan 0.000 0.517 300 A N 1.875 124.843 122.820 0.247 0.000 2.406 300 A HA 0.484 4.804 4.320 -0.001 0.000 0.243 300 A C 0.527 178.298 177.584 0.312 0.000 1.082 300 A CA -0.139 52.057 52.037 0.266 0.000 0.786 300 A CB -0.065 19.089 19.000 0.256 0.000 1.029 300 A HN 0.967 nan 8.150 nan 0.000 0.495 301 E N 0.232 120.554 120.200 0.203 0.000 2.529 301 E HA 0.333 4.683 4.350 -0.001 0.000 0.259 301 E C 1.208 177.824 176.600 0.027 0.000 0.966 301 E CA 1.633 58.096 56.400 0.106 0.000 0.937 301 E CB -0.133 29.604 29.700 0.063 0.000 0.923 301 E HN 1.735 nan 8.360 nan 0.000 0.468 302 G N 3.453 112.186 108.800 -0.112 0.000 2.217 302 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.246 302 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.246 302 G C 0.434 174.957 174.900 -0.629 0.000 0.990 302 G CA 0.239 45.093 45.100 -0.410 0.000 0.627 302 G HN 0.475 nan 8.290 nan 0.000 0.522 303 F N 1.750 121.730 119.950 0.050 0.000 2.764 303 F HA 0.379 4.906 4.527 -0.001 0.000 0.310 303 F C 0.699 176.525 175.800 0.042 0.000 1.124 303 F CA -0.655 57.370 58.000 0.041 0.000 1.252 303 F CB 0.680 39.693 39.000 0.022 0.000 1.010 303 F HN 0.103 nan 8.300 nan 0.000 0.518 304 E N 1.990 122.288 120.200 0.163 0.000 2.129 304 E HA 0.458 4.808 4.350 -0.001 0.000 0.283 304 E C 0.147 176.802 176.600 0.091 0.000 1.080 304 E CA -0.457 56.010 56.400 0.111 0.000 0.867 304 E CB 1.114 30.868 29.700 0.089 0.000 1.056 304 E HN 0.240 nan 8.360 nan 0.000 0.404 305 A N 5.641 128.449 122.820 -0.020 0.000 2.425 305 A HA 0.190 4.510 4.320 -0.001 0.000 0.249 305 A C -1.448 175.973 177.584 -0.271 0.000 1.084 305 A CA -1.108 50.826 52.037 -0.172 0.000 0.781 305 A CB 0.210 19.087 19.000 -0.206 0.000 1.019 305 A HN 0.458 nan 8.150 nan 0.000 0.490 306 P HA 0.009 nan 4.420 nan 0.000 0.222 306 P C 1.306 178.301 177.300 -0.508 0.000 1.157 306 P CA 1.522 64.318 63.100 -0.506 0.000 0.816 306 P CB 0.152 31.334 31.700 -0.864 0.000 0.813 307 G N -0.339 108.112 108.800 -0.582 0.000 2.623 307 G HA2 0.142 4.102 3.960 -0.001 0.000 0.214 307 G HA3 0.142 4.102 3.960 -0.001 0.000 0.214 307 G C 0.242 174.614 174.900 -0.879 0.000 1.138 307 G CA 0.304 44.930 45.100 -0.790 0.000 0.794 307 G HN 0.192 nan 8.290 nan 0.000 0.535 308 V N 0.786 120.384 119.914 -0.527 0.000 2.577 308 V HA 0.463 4.583 4.120 -0.001 0.000 0.303 308 V C -0.928 174.982 176.094 -0.307 0.000 1.042 308 V CA -0.764 61.302 62.300 -0.390 0.000 0.872 308 V CB 2.201 33.881 31.823 -0.238 0.000 0.998 308 V HN -0.106 nan 8.190 nan 0.000 0.423 309 V N 5.472 125.199 119.914 -0.310 0.000 2.407 309 V HA 0.511 4.630 4.120 -0.001 0.000 0.291 309 V C -0.343 175.566 176.094 -0.309 0.000 1.018 309 V CA -0.567 61.565 62.300 -0.281 0.000 0.842 309 V CB 1.914 33.557 31.823 -0.300 0.000 0.996 309 V HN 0.616 nan 8.190 nan 0.000 0.426 310 V N 4.081 123.823 119.914 -0.286 0.000 2.384 310 V HA 0.619 4.739 4.120 -0.001 0.000 0.287 310 V C 0.105 175.935 176.094 -0.440 0.000 1.020 310 V CA -0.118 61.970 62.300 -0.353 0.000 0.850 310 V CB 1.772 33.456 31.823 -0.232 0.000 0.987 310 V HN 0.890 nan 8.190 nan 0.000 0.436 311 S N 2.709 118.002 115.700 -0.678 0.000 2.600 311 S HA 0.735 5.205 4.470 -0.001 0.000 0.300 311 S C -1.134 173.158 174.600 -0.514 0.000 1.087 311 S CA -0.554 57.293 58.200 -0.588 0.000 0.965 311 S CB 1.472 64.295 63.200 -0.629 0.000 1.089 311 S HN 0.513 nan 8.310 nan 0.000 0.496 312 Y N 1.262 121.471 120.300 -0.151 0.000 2.309 312 Y HA 0.539 5.088 4.550 -0.001 0.000 0.327 312 Y C 1.076 177.022 175.900 0.077 0.000 1.172 312 Y CA 0.259 58.308 58.100 -0.084 0.000 1.280 312 Y CB 1.210 39.635 38.460 -0.059 0.000 1.234 312 Y HN 0.559 nan 8.280 nan 0.000 0.512 313 T N 1.347 116.068 114.554 0.279 0.000 2.843 313 T HA 0.329 4.678 4.350 -0.001 0.000 0.302 313 T C -0.082 174.700 174.700 0.138 0.000 1.232 313 T CA -0.663 61.598 62.100 0.268 0.000 1.009 313 T CB 1.246 70.346 68.868 0.388 0.000 1.254 313 T HN 0.643 nan 8.240 nan 0.000 0.504 314 E N 1.315 121.572 120.200 0.095 0.000 2.526 314 E HA 0.215 4.565 4.350 -0.001 0.000 0.208 314 E C 0.110 176.731 176.600 0.035 0.000 0.997 314 E CA -0.034 56.391 56.400 0.040 0.000 0.961 314 E CB 0.660 30.375 29.700 0.024 0.000 1.030 314 E HN 0.377 nan 8.360 nan 0.000 0.483 315 R N 0.973 121.508 120.500 0.058 0.000 2.255 315 R HA 0.131 4.471 4.340 -0.001 0.000 0.326 315 R C 0.416 176.764 176.300 0.080 0.000 0.986 315 R CA -0.200 55.924 56.100 0.040 0.000 0.847 315 R CB 1.090 31.391 30.300 0.003 0.000 1.111 315 R HN -0.117 nan 8.270 nan 0.000 0.452 316 D N 1.403 121.848 120.400 0.074 0.000 2.178 316 D HA -0.143 4.496 4.640 -0.001 0.000 0.202 316 D C 0.364 176.726 176.300 0.103 0.000 0.974 316 D CA 1.288 55.368 54.000 0.133 0.000 0.841 316 D CB 0.254 41.115 40.800 0.101 0.000 0.953 316 D HN 0.567 nan 8.370 nan 0.000 0.478 320 K N 0.743 121.039 120.400 -0.175 0.000 2.379 320 K HA 0.312 4.632 4.320 -0.001 0.000 0.194 320 K C 1.020 177.583 176.600 -0.062 0.000 1.031 320 K CA 0.772 56.936 56.287 -0.206 0.000 1.037 320 K CB 0.933 33.368 32.500 -0.108 0.000 0.824 320 K HN 0.578 nan 8.250 nan 0.000 0.516 321 G N 1.448 110.266 108.800 0.030 0.000 2.195 321 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.246 321 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.246 321 G C 1.122 176.094 174.900 0.120 0.000 0.984 321 G CA 0.834 46.004 45.100 0.117 0.000 0.633 321 G HN 0.363 nan 8.290 nan 0.000 0.525 322 S N 0.489 116.215 115.700 0.044 0.000 2.382 322 S HA 0.195 4.665 4.470 -0.001 0.000 0.228 322 S C 2.613 177.205 174.600 -0.014 0.000 1.027 322 S CA 1.833 60.042 58.200 0.014 0.000 0.991 322 S CB -0.540 62.656 63.200 -0.007 0.000 0.823 322 S HN 1.752 nan 8.310 nan 0.000 0.469 323 A N 1.129 123.906 122.820 -0.071 0.000 1.933 323 A HA 0.118 4.438 4.320 -0.001 0.000 0.218 323 A C 1.894 179.313 177.584 -0.276 0.000 1.175 323 A CA 1.311 53.219 52.037 -0.215 0.000 0.628 323 A CB -1.017 17.771 19.000 -0.353 0.000 0.814 323 A HN 0.530 nan 8.150 nan 0.000 0.444 324 F N 0.138 120.028 119.950 -0.100 0.000 2.186 324 F HA -0.022 4.504 4.527 -0.001 0.000 0.299 324 F C 2.776 178.550 175.800 -0.043 0.000 1.090 324 F CA 0.887 58.843 58.000 -0.074 0.000 1.307 324 F CB -0.518 38.452 39.000 -0.051 0.000 1.019 324 F HN 0.248 nan 8.300 nan 0.000 0.489 325 A N 0.076 122.976 122.820 0.135 0.000 1.908 325 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 325 A C 2.097 179.694 177.584 0.022 0.000 1.181 325 A CA 1.870 53.947 52.037 0.067 0.000 0.627 325 A CB -0.820 18.207 19.000 0.045 0.000 0.818 325 A HN 0.430 nan 8.150 nan 0.000 0.445 326 E N -0.467 119.726 120.200 -0.012 0.000 2.118 326 E HA -0.132 4.217 4.350 -0.001 0.000 0.195 326 E C 1.897 178.475 176.600 -0.037 0.000 0.992 326 E CA 1.020 57.399 56.400 -0.035 0.000 0.804 326 E CB -0.231 29.431 29.700 -0.063 0.000 0.741 326 E HN 0.620 nan 8.360 nan 0.000 0.458 327 A N -0.147 122.647 122.820 -0.043 0.000 2.278 327 A HA 0.294 4.614 4.320 -0.001 0.000 0.212 327 A C 1.483 179.072 177.584 0.007 0.000 1.213 327 A CA 0.723 52.738 52.037 -0.037 0.000 0.840 327 A CB -0.132 18.821 19.000 -0.078 0.000 0.866 327 A HN 0.320 nan 8.150 nan 0.000 0.489 328 G N -1.900 106.915 108.800 0.026 0.000 2.131 328 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.223 328 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.223 328 G C -0.338 174.598 174.900 0.060 0.000 0.990 328 G CA 0.224 45.345 45.100 0.035 0.000 0.671 328 G HN 0.394 nan 8.290 nan 0.000 0.521 329 L N -0.155 121.125 121.223 0.096 0.000 2.365 329 L HA 0.730 5.069 4.340 -0.001 0.000 0.273 329 L C 0.031 176.962 176.870 0.101 0.000 1.000 329 L CA -1.039 53.870 54.840 0.116 0.000 0.819 329 L CB 2.139 44.312 42.059 0.191 0.000 1.284 329 L HN 0.191 nan 8.230 nan 0.000 0.418 330 Q N 3.464 123.300 119.800 0.060 0.000 2.331 330 Q HA 0.630 4.970 4.340 -0.001 0.000 0.257 330 Q C -0.763 175.237 176.000 0.001 0.000 0.957 330 Q CA -0.127 55.697 55.803 0.034 0.000 0.923 330 Q CB 0.921 29.672 28.738 0.021 0.000 1.212 330 Q HN 0.530 nan 8.270 nan 0.000 0.443 331 I N -0.085 120.471 120.570 -0.024 0.000 3.573 331 I HA 0.987 5.157 4.170 -0.001 0.000 0.285 331 I C -0.787 175.300 176.117 -0.051 0.000 1.203 331 I CA -1.529 59.719 61.300 -0.087 0.000 1.033 331 I CB 1.731 39.585 38.000 -0.244 0.000 1.348 331 I HN 0.520 nan 8.210 nan 0.000 0.525 332 A N 1.541 124.329 122.820 -0.054 0.000 2.318 332 A HA 0.832 5.151 4.320 -0.001 0.000 0.324 332 A C -0.021 177.547 177.584 -0.026 0.000 1.170 332 A CA -0.522 51.493 52.037 -0.036 0.000 0.810 332 A CB 0.731 19.708 19.000 -0.039 0.000 1.198 332 A HN 1.100 nan 8.150 nan 0.000 0.484 333 A N 1.801 124.590 122.820 -0.051 0.000 2.483 333 A HA 0.518 4.837 4.320 -0.001 0.000 0.238 333 A C 0.988 178.527 177.584 -0.075 0.000 1.070 333 A CA 0.409 52.379 52.037 -0.111 0.000 0.770 333 A CB -0.143 18.743 19.000 -0.190 0.000 1.008 333 A HN 1.839 nan 8.150 nan 0.000 0.497 334 G N -0.222 108.545 108.800 -0.054 0.000 2.491 334 G HA2 0.503 4.463 3.960 -0.001 0.000 0.238 334 G HA3 0.503 4.463 3.960 -0.001 0.000 0.238 334 G C 0.132 175.088 174.900 0.093 0.000 1.277 334 G CA 0.497 45.656 45.100 0.098 0.000 0.851 334 G HN 1.952 nan 8.290 nan 0.000 0.573 335 V N -0.000 119.970 119.914 0.093 0.000 3.141 335 V HA 0.845 4.964 4.120 -0.001 0.000 0.312 335 V C -2.570 173.566 176.094 0.070 0.000 1.157 335 V CA -2.444 59.842 62.300 -0.024 0.000 1.041 335 V CB 1.786 33.485 31.823 -0.208 0.000 1.071 335 V HN 0.595 nan 8.190 nan 0.000 0.441 336 P HA 0.458 nan 4.420 nan 0.000 0.274 336 P C 0.456 177.781 177.300 0.041 0.000 1.256 336 P CA -0.368 62.718 63.100 -0.023 0.000 0.795 336 P CB 0.658 32.317 31.700 -0.069 0.000 1.038 337 L N -0.799 120.319 121.223 -0.176 0.000 2.470 337 L HA 0.172 4.512 4.340 -0.001 0.000 0.219 337 L C 0.755 177.540 176.870 -0.142 0.000 1.071 337 L CA 0.103 54.834 54.840 -0.181 0.000 0.850 337 L CB -0.386 41.340 42.059 -0.555 0.000 1.040 337 L HN 0.381 nan 8.230 nan 0.000 0.475 338 K N 0.529 120.816 120.400 -0.189 0.000 3.117 338 K HA -0.148 4.171 4.320 -0.001 0.000 0.269 338 K C 0.364 176.798 176.600 -0.276 0.000 1.098 338 K CA 0.794 56.884 56.287 -0.328 0.000 0.785 338 K CB -1.516 30.491 32.500 -0.822 0.000 1.242 338 K HN 0.322 nan 8.250 nan 0.000 0.491 339 V N -3.352 116.418 119.914 -0.239 0.000 3.319 339 V HA 0.562 4.681 4.120 -0.001 0.000 0.317 339 V C 1.165 177.224 176.094 -0.057 0.000 1.411 339 V CA 0.536 62.747 62.300 -0.148 0.000 1.112 339 V CB 0.464 32.185 31.823 -0.170 0.000 1.031 339 V HN 0.784 nan 8.190 nan 0.000 0.448 340 G N 1.177 109.930 108.800 -0.078 0.000 2.137 340 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.237 340 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.237 340 G C 0.074 174.992 174.900 0.030 0.000 1.002 340 G CA 0.292 45.381 45.100 -0.018 0.000 0.702 340 G HN 1.053 nan 8.290 nan 0.000 0.515 341 E N 0.852 121.039 120.200 -0.022 0.000 2.438 341 E HA 0.294 4.643 4.350 -0.001 0.000 0.261 341 E C -1.724 174.926 176.600 0.084 0.000 1.103 341 E CA -0.839 55.599 56.400 0.063 0.000 0.959 341 E CB 0.299 29.764 29.700 -0.392 0.000 0.958 341 E HN 0.280 nan 8.360 nan 0.000 0.447 342 P HA 0.070 nan 4.420 nan 0.000 0.273 342 P C 0.090 177.479 177.300 0.149 0.000 1.250 342 P CA -0.283 62.902 63.100 0.142 0.000 0.793 342 P CB 0.477 32.265 31.700 0.145 0.000 1.011 343 D N 0.099 120.559 120.400 0.101 0.000 2.178 343 D HA -0.122 4.518 4.640 -0.001 0.000 0.202 343 D C 1.271 177.635 176.300 0.107 0.000 0.974 343 D CA 1.157 55.210 54.000 0.088 0.000 0.841 343 D CB -0.461 40.371 40.800 0.054 0.000 0.953 343 D HN 0.499 nan 8.370 nan 0.000 0.478 344 N N 0.567 119.332 118.700 0.109 0.000 2.434 344 N HA -0.133 4.607 4.740 -0.001 0.000 0.196 344 N C 0.094 175.683 175.510 0.132 0.000 1.183 344 N CA -0.342 52.760 53.050 0.086 0.000 0.849 344 N CB -0.970 37.543 38.487 0.044 0.000 0.992 344 N HN 0.029 nan 8.380 nan 0.000 0.460 345 F N 2.083 122.073 119.950 0.067 0.000 2.557 345 F HA 0.146 4.673 4.527 -0.000 0.000 0.384 345 F C 0.410 176.246 175.800 0.060 0.000 1.057 345 F CA 0.053 58.135 58.000 0.137 0.000 1.169 345 F CB 0.282 39.369 39.000 0.144 0.000 1.070 345 F HN 0.011 nan 8.300 nan 0.000 0.554 346 K N 4.752 124.951 120.400 -0.334 0.000 2.535 346 K HA 0.532 4.851 4.320 -0.001 0.000 0.250 346 K C -1.163 175.259 176.600 -0.297 0.000 0.948 346 K CA -0.464 55.606 56.287 -0.360 0.000 0.796 346 K CB 1.479 33.810 32.500 -0.282 0.000 1.216 346 K HN 0.707 nan 8.250 nan 0.000 0.432 347 T N -0.127 114.318 114.554 -0.181 0.000 2.787 347 T HA 0.753 5.102 4.350 -0.001 0.000 0.297 347 T C -0.990 173.857 174.700 0.245 0.000 1.221 347 T CA -0.871 61.161 62.100 -0.115 0.000 1.006 347 T CB 0.860 69.480 68.868 -0.412 0.000 1.328 347 T HN 0.472 nan 8.240 nan 0.000 0.509 348 F N -1.237 118.706 119.950 -0.011 0.000 2.626 348 F HA 0.901 5.428 4.527 -0.000 0.000 0.311 348 F C -1.077 174.668 175.800 -0.093 0.000 1.088 348 F CA -1.362 56.627 58.000 -0.018 0.000 0.949 348 F CB 1.732 40.755 39.000 0.037 0.000 1.322 348 F HN 0.745 nan 8.300 nan 0.000 0.461 349 R N 2.331 122.828 120.500 -0.005 0.000 2.686 349 R HA 0.788 5.128 4.340 -0.001 0.000 0.283 349 R C -1.808 174.416 176.300 -0.127 0.000 0.978 349 R CA -1.046 54.965 56.100 -0.150 0.000 0.897 349 R CB 2.736 32.975 30.300 -0.101 0.000 1.192 349 R HN 0.732 nan 8.270 nan 0.000 0.457 350 L N 0.748 121.840 121.223 -0.219 0.000 2.386 350 L HA 0.652 4.992 4.340 -0.001 0.000 0.271 350 L C 0.239 176.931 176.870 -0.296 0.000 0.993 350 L CA -1.034 53.652 54.840 -0.257 0.000 0.819 350 L CB 2.351 44.188 42.059 -0.370 0.000 1.294 350 L HN 0.757 nan 8.230 nan 0.000 0.414 351 G N 2.381 111.016 108.800 -0.274 0.000 2.379 351 G HA2 0.651 4.610 3.960 -0.001 0.000 0.327 351 G HA3 0.651 4.610 3.960 -0.001 0.000 0.327 351 G C -0.427 174.208 174.900 -0.442 0.000 1.145 351 G CA -0.376 44.493 45.100 -0.385 0.000 0.905 351 G HN 0.537 nan 8.290 nan 0.000 0.466 352 L N 2.416 123.223 121.223 -0.693 0.000 3.096 352 L HA 0.349 4.688 4.340 -0.001 0.000 0.272 352 L C -0.786 175.777 176.870 -0.512 0.000 1.311 352 L CA -0.401 54.137 54.840 -0.503 0.000 0.943 352 L CB -0.172 41.613 42.059 -0.456 0.000 1.348 352 L HN 0.288 nan 8.230 nan 0.000 0.562 353 F N 0.684 120.541 119.950 -0.155 0.000 2.385 353 F HA 0.762 5.288 4.527 -0.001 0.000 0.336 353 F C 1.024 176.766 175.800 -0.097 0.000 1.100 353 F CA -0.884 57.029 58.000 -0.145 0.000 1.116 353 F CB 1.711 40.631 39.000 -0.134 0.000 1.166 353 F HN 0.132 nan 8.300 nan 0.000 0.511 354 G N 2.211 111.083 108.800 0.120 0.000 2.535 354 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.662 354 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.662 354 G C 0.003 174.938 174.900 0.058 0.000 1.417 354 G CA -1.050 44.103 45.100 0.088 0.000 0.866 354 G HN 0.637 nan 8.290 nan 0.000 0.647 355 L N 0.442 121.713 121.223 0.080 0.000 2.079 355 L HA -0.087 4.252 4.340 -0.001 0.000 0.210 355 L C 2.366 179.266 176.870 0.050 0.000 1.081 355 L CA 1.817 56.701 54.840 0.074 0.000 0.752 355 L CB -0.258 41.860 42.059 0.099 0.000 0.896 355 L HN 0.587 nan 8.230 nan 0.000 0.433 356 D N -0.050 120.378 120.400 0.046 0.000 2.224 356 D HA -0.112 4.528 4.640 -0.001 0.000 0.205 356 D C 2.178 178.490 176.300 0.021 0.000 0.965 356 D CA 0.949 54.970 54.000 0.034 0.000 0.852 356 D CB 0.069 40.890 40.800 0.035 0.000 0.947 356 D HN 0.331 nan 8.370 nan 0.000 0.494 357 K N 0.232 120.639 120.400 0.012 0.000 2.044 357 K HA 0.069 4.388 4.320 -0.001 0.000 0.204 357 K C 2.211 178.804 176.600 -0.011 0.000 1.049 357 K CA 0.459 56.742 56.287 -0.008 0.000 0.945 357 K CB -0.056 32.422 32.500 -0.035 0.000 0.724 357 K HN 0.114 nan 8.250 nan 0.000 0.440 358 L N 1.245 122.462 121.223 -0.010 0.000 2.275 358 L HA -0.104 4.235 4.340 -0.001 0.000 0.215 358 L C 2.277 179.154 176.870 0.011 0.000 1.119 358 L CA 1.222 56.057 54.840 -0.008 0.000 0.790 358 L CB -0.802 41.251 42.059 -0.009 0.000 0.919 358 L HN 0.369 nan 8.230 nan 0.000 0.443 359 T N -5.436 109.129 114.554 0.018 0.000 3.107 359 T HA -0.001 4.349 4.350 -0.001 0.000 0.249 359 T C 0.523 175.233 174.700 0.018 0.000 1.096 359 T CA 0.001 62.113 62.100 0.021 0.000 1.012 359 T CB 0.067 68.951 68.868 0.026 0.000 0.977 359 T HN 0.075 nan 8.240 nan 0.000 0.527 360 D N 0.145 120.553 120.400 0.015 0.000 2.656 360 D HA 0.357 4.996 4.640 -0.001 0.000 0.303 360 D C 0.849 177.156 176.300 0.012 0.000 1.199 360 D CA -0.601 53.407 54.000 0.015 0.000 0.797 360 D CB -0.322 40.488 40.800 0.017 0.000 1.170 360 D HN 0.252 nan 8.370 nan 0.000 0.509 361 I N 0.107 120.683 120.570 0.010 0.000 2.286 361 I HA -0.183 3.987 4.170 -0.001 0.000 0.248 361 I C 1.512 177.638 176.117 0.016 0.000 1.115 361 I CA 0.725 62.028 61.300 0.006 0.000 1.392 361 I CB 0.107 38.110 38.000 0.006 0.000 1.065 361 I HN 0.186 nan 8.210 nan 0.000 0.418 362 D N 1.134 121.546 120.400 0.020 0.000 2.092 362 D HA -0.149 4.491 4.640 -0.001 0.000 0.193 362 D C 2.224 178.543 176.300 0.031 0.000 0.994 362 D CA 1.763 55.779 54.000 0.026 0.000 0.828 362 D CB -0.625 40.188 40.800 0.022 0.000 0.963 362 D HN 0.388 nan 8.370 nan 0.000 0.450 363 G N -0.048 108.769 108.800 0.028 0.000 2.418 363 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 363 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 363 G C 1.697 176.623 174.900 0.044 0.000 1.158 363 G CA 1.518 46.637 45.100 0.033 0.000 0.771 363 G HN 0.242 nan 8.290 nan 0.000 0.545 364 T N 0.963 115.539 114.554 0.037 0.000 2.746 364 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 364 T C 2.560 177.308 174.700 0.079 0.000 1.039 364 T CA 1.290 63.414 62.100 0.041 0.000 1.142 364 T CB -0.275 68.595 68.868 0.002 0.000 0.866 364 T HN 0.077 nan 8.240 nan 0.000 0.444 365 V N 1.536 121.493 119.914 0.071 0.000 2.261 365 V HA -0.184 3.936 4.120 -0.001 0.000 0.246 365 V C 2.482 178.665 176.094 0.149 0.000 1.047 365 V CA 1.752 64.124 62.300 0.120 0.000 1.015 365 V CB -0.693 31.179 31.823 0.081 0.000 0.642 365 V HN 0.511 nan 8.190 nan 0.000 0.446 366 E N -0.063 120.192 120.200 0.091 0.000 2.085 366 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 366 E C 2.468 179.107 176.600 0.065 0.000 0.994 366 E CA 1.376 57.816 56.400 0.066 0.000 0.801 366 E CB -0.217 29.509 29.700 0.043 0.000 0.743 366 E HN 0.504 nan 8.360 nan 0.000 0.453 367 R N -0.339 120.210 120.500 0.082 0.000 2.115 367 R HA -0.110 4.230 4.340 -0.001 0.000 0.230 367 R C 2.211 178.578 176.300 0.111 0.000 1.111 367 R CA 1.057 57.203 56.100 0.078 0.000 0.976 367 R CB -0.275 30.071 30.300 0.077 0.000 0.870 367 R HN 0.179 nan 8.270 nan 0.000 0.445 368 F N 2.048 122.018 119.950 0.033 0.000 2.113 368 F HA -0.121 4.405 4.527 -0.000 0.000 0.297 368 F C 2.069 177.913 175.800 0.073 0.000 1.103 368 F CA 1.410 59.442 58.000 0.054 0.000 1.248 368 F CB -0.158 38.862 39.000 0.034 0.000 0.999 368 F HN -0.064 nan 8.300 nan 0.000 0.475 369 E N 0.384 120.536 120.200 -0.080 0.000 2.049 369 E HA -0.290 4.059 4.350 -0.001 0.000 0.198 369 E C 2.228 178.729 176.600 -0.164 0.000 1.007 369 E CA 1.907 58.221 56.400 -0.143 0.000 0.809 369 E CB -0.136 29.562 29.700 -0.003 0.000 0.749 369 E HN 0.408 nan 8.360 nan 0.000 0.450 370 K N 0.007 120.352 120.400 -0.090 0.000 2.044 370 K HA -0.215 4.105 4.320 -0.001 0.000 0.210 370 K C 2.116 178.645 176.600 -0.118 0.000 1.049 370 K CA 1.335 57.574 56.287 -0.079 0.000 0.927 370 K CB -0.208 32.268 32.500 -0.040 0.000 0.713 370 K HN 0.099 nan 8.250 nan 0.000 0.443 371 A N 1.282 124.021 122.820 -0.134 0.000 1.858 371 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 371 A C 2.123 179.565 177.584 -0.237 0.000 1.190 371 A CA 1.287 53.244 52.037 -0.133 0.000 0.617 371 A CB -0.648 18.340 19.000 -0.021 0.000 0.827 371 A HN 0.254 nan 8.150 nan 0.000 0.443 372 L N 0.188 121.192 121.223 -0.365 0.000 2.042 372 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 372 L C 1.693 178.418 176.870 -0.242 0.000 1.076 372 L CA 2.581 57.214 54.840 -0.345 0.000 0.749 372 L CB -0.685 41.094 42.059 -0.467 0.000 0.893 372 L HN 0.362 nan 8.230 nan 0.000 0.432 373 D N -0.323 119.962 120.400 -0.192 0.000 2.104 373 D HA -0.206 4.433 4.640 -0.001 0.000 0.194 373 D C 2.105 178.322 176.300 -0.137 0.000 0.994 373 D CA 1.588 55.510 54.000 -0.131 0.000 0.830 373 D CB -0.102 40.640 40.800 -0.096 0.000 0.959 373 D HN 0.494 nan 8.370 nan 0.000 0.452 374 E N 0.121 120.233 120.200 -0.147 0.000 2.085 374 E HA -0.142 4.207 4.350 -0.001 0.000 0.194 374 E C 2.277 178.763 176.600 -0.191 0.000 0.994 374 E CA 0.789 57.103 56.400 -0.144 0.000 0.801 374 E CB 0.033 29.656 29.700 -0.128 0.000 0.743 374 E HN 0.053 nan 8.360 nan 0.000 0.453 375 V N 1.157 120.900 119.914 -0.285 0.000 2.255 375 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 375 V C 2.187 178.123 176.094 -0.262 0.000 1.051 375 V CA 1.611 63.684 62.300 -0.379 0.000 1.018 375 V CB -0.415 30.984 31.823 -0.706 0.000 0.641 375 V HN 0.298 nan 8.190 nan 0.000 0.445 376 L N -0.199 120.898 121.223 -0.209 0.000 2.551 376 L HA 0.131 4.471 4.340 -0.001 0.000 0.228 376 L C 1.505 178.317 176.870 -0.098 0.000 1.153 376 L CA 0.204 54.965 54.840 -0.132 0.000 0.851 376 L CB -0.682 41.321 42.059 -0.092 0.000 0.959 376 L HN 0.334 nan 8.230 nan 0.000 0.451 377 A N 0.000 122.758 122.820 -0.103 0.000 2.254 377 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 377 A CA 0.000 51.991 52.037 -0.076 0.000 0.836 377 A CB 0.000 18.954 19.000 -0.076 0.000 0.831 377 A HN 0.000 nan 8.150 nan 0.000 0.486