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 3a2p_1_A DATA FIRST_RESID 3 DATA SEQUENCE KVDLWQDATA QAELVRSGEI SRTELLEATI AHVQAVNPEI NAVIIPLFEK DATA SEQUENCE ARRESELASG PFAGVPYLLK DLTVVSQGDI NTSSIKGMKE SGYRADHDAY DATA SEQUENCE FVQRMRAAGF VLLGKTNTPE MGNQVTTEPE AWGATRNPWN LGRSVGGSSG DATA SEQUENCE GSGAAVAAAL SPVAHGNDAA GSVRIPASVC GVVGLKPTRG RISPGPLVTD DATA SEQUENCE SDNVAGAAHE GLFARSVRDI AALLDVVSGH RPGDTFCAPT ASRPYAQGIS DATA SEQUENCE ENPGSLRVGV LTHNPVGDFA LDPECAAAAR GAAAALAALG HDVNDAYPEA DATA SEQUENCE LGDRSFLKDY STICDVAIAR EIERNGELIG RPLTEDDVEW TSWEMVKRAD DATA SEQUENCE QVTGRAFAAC VDELRYYAGK VERWWEAGWD LLILPTVTRQ TPEIGELMLA DATA SEQUENCE KGTDLEGRQS AFISGSLQML AFTVPFNVSG QPAISLPIGM SSDGMPIGVQ DATA SEQUENCE IVAAYGREDL LLQVAAQLEG ALPWVARRPQ LLN 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.600 176.600 0.000 0.000 0.988 3 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 3 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 4 V N 1.335 121.250 119.914 0.002 0.000 2.732 4 V HA 0.108 4.230 4.120 0.002 0.000 0.297 4 V C 0.469 176.567 176.094 0.007 0.000 1.060 4 V CA -0.208 62.098 62.300 0.009 0.000 1.038 4 V CB 1.197 33.029 31.823 0.015 0.000 1.003 4 V HN 0.661 nan 8.190 nan 0.000 0.481 5 D N 3.413 123.828 120.400 0.025 0.000 2.383 5 D HA 0.113 4.755 4.640 0.002 0.000 0.245 5 D C 0.888 177.229 176.300 0.069 0.000 1.263 5 D CA 0.125 54.153 54.000 0.046 0.000 0.936 5 D CB 0.320 41.161 40.800 0.067 0.000 1.053 5 D HN 0.480 nan 8.370 nan 0.000 0.507 6 L N 2.872 124.120 121.223 0.041 0.000 2.622 6 L HA 0.022 4.364 4.340 0.002 0.000 0.233 6 L C 1.639 178.613 176.870 0.173 0.000 1.156 6 L CA -0.033 54.838 54.840 0.052 0.000 0.866 6 L CB -0.127 41.888 42.059 -0.073 0.000 0.980 6 L HN 0.563 nan 8.230 nan 0.000 0.448 7 W N 0.777 122.060 121.300 -0.029 0.000 3.290 7 W HA 0.038 4.699 4.660 0.002 0.000 0.287 7 W C 0.667 177.211 176.519 0.041 0.000 1.288 7 W CA -0.356 56.994 57.345 0.009 0.000 1.725 7 W CB 0.573 30.035 29.460 0.004 0.000 1.103 7 W HN 0.142 nan 8.180 nan 0.000 0.670 8 Q N 1.830 121.669 119.800 0.065 0.000 2.373 8 Q HA 0.021 4.363 4.340 0.002 0.000 0.255 8 Q C 0.193 176.170 176.000 -0.039 0.000 0.980 8 Q CA 0.344 56.151 55.803 0.007 0.000 0.882 8 Q CB 0.826 29.592 28.738 0.048 0.000 1.249 8 Q HN 0.186 nan 8.270 nan 0.000 0.438 9 D N -0.366 120.013 120.400 -0.036 0.000 2.398 9 D HA 0.158 4.800 4.640 0.002 0.000 0.247 9 D C 0.763 177.118 176.300 0.092 0.000 1.227 9 D CA 0.050 54.050 54.000 -0.000 0.000 0.980 9 D CB 0.378 41.185 40.800 0.013 0.000 1.106 9 D HN 0.423 nan 8.370 nan 0.000 0.493 10 A N 0.215 123.124 122.820 0.148 0.000 1.917 10 A HA -0.205 4.116 4.320 0.002 0.000 0.219 10 A C 2.154 179.972 177.584 0.389 0.000 1.182 10 A CA 2.422 54.621 52.037 0.270 0.000 0.633 10 A CB -1.389 17.767 19.000 0.259 0.000 0.819 10 A HN 0.692 nan 8.150 nan 0.000 0.448 11 T N 0.073 114.851 114.554 0.373 0.000 2.746 11 T HA -0.008 4.344 4.350 0.002 0.000 0.267 11 T C 2.191 176.954 174.700 0.104 0.000 1.039 11 T CA 1.619 63.883 62.100 0.273 0.000 1.142 11 T CB -0.403 68.582 68.868 0.196 0.000 0.866 11 T HN 0.621 nan 8.240 nan 0.000 0.444 12 A N 1.181 124.056 122.820 0.092 0.000 1.897 12 A HA -0.090 4.232 4.320 0.002 0.000 0.215 12 A C 2.270 179.884 177.584 0.050 0.000 1.181 12 A CA 1.196 53.263 52.037 0.049 0.000 0.620 12 A CB -0.540 18.485 19.000 0.040 0.000 0.821 12 A HN 0.507 nan 8.150 nan 0.000 0.443 13 Q N -0.677 119.171 119.800 0.081 0.000 2.167 13 Q HA -0.064 4.277 4.340 0.002 0.000 0.202 13 Q C 2.357 178.393 176.000 0.060 0.000 0.970 13 Q CA 1.148 56.997 55.803 0.077 0.000 0.855 13 Q CB -0.320 28.482 28.738 0.107 0.000 0.911 13 Q HN 0.691 nan 8.270 nan 0.000 0.438 14 A N 0.943 123.803 122.820 0.066 0.000 1.930 14 A HA -0.212 4.109 4.320 0.002 0.000 0.217 14 A C 1.935 179.482 177.584 -0.061 0.000 1.175 14 A CA 1.586 53.614 52.037 -0.016 0.000 0.627 14 A CB -0.334 18.591 19.000 -0.124 0.000 0.815 14 A HN 0.246 nan 8.150 nan 0.000 0.443 15 E N 0.427 120.597 120.200 -0.050 0.000 2.072 15 E HA -0.114 4.238 4.350 0.002 0.000 0.191 15 E C 1.810 178.394 176.600 -0.028 0.000 0.985 15 E CA 1.158 57.528 56.400 -0.051 0.000 0.801 15 E CB -0.479 29.199 29.700 -0.037 0.000 0.750 15 E HN 0.584 nan 8.360 nan 0.000 0.452 16 L N -0.483 120.735 121.223 -0.008 0.000 2.079 16 L HA -0.188 4.154 4.340 0.002 0.000 0.210 16 L C 2.376 179.243 176.870 -0.005 0.000 1.081 16 L CA 1.004 55.844 54.840 -0.000 0.000 0.752 16 L CB -0.417 41.650 42.059 0.013 0.000 0.896 16 L HN 0.110 nan 8.230 nan 0.000 0.433 17 V N -0.618 119.291 119.914 -0.008 0.000 2.323 17 V HA -0.220 3.902 4.120 0.002 0.000 0.244 17 V C 2.618 178.698 176.094 -0.024 0.000 1.041 17 V CA 1.518 63.812 62.300 -0.011 0.000 1.025 17 V CB -0.569 31.249 31.823 -0.008 0.000 0.656 17 V HN 0.406 nan 8.190 nan 0.000 0.451 18 R N 0.051 120.527 120.500 -0.041 0.000 2.091 18 R HA -0.183 4.158 4.340 0.002 0.000 0.238 18 R C 2.591 178.869 176.300 -0.036 0.000 1.136 18 R CA 1.840 57.910 56.100 -0.049 0.000 0.959 18 R CB -0.478 29.777 30.300 -0.075 0.000 0.856 18 R HN 0.481 nan 8.270 nan 0.000 0.437 19 S N -1.109 114.572 115.700 -0.031 0.000 2.442 19 S HA -0.064 4.407 4.470 0.002 0.000 0.236 19 S C 1.281 175.871 174.600 -0.016 0.000 1.007 19 S CA 1.520 59.706 58.200 -0.023 0.000 0.965 19 S CB -0.164 63.026 63.200 -0.018 0.000 0.773 19 S HN 0.714 nan 8.310 nan 0.000 0.504 20 G N 0.582 109.374 108.800 -0.014 0.000 2.176 20 G HA2 -0.318 3.643 3.960 0.002 0.000 0.253 20 G HA3 -0.318 3.643 3.960 0.002 0.000 0.253 20 G C 0.593 175.490 174.900 -0.005 0.000 0.979 20 G CA 0.744 45.839 45.100 -0.009 0.000 0.641 20 G HN 0.593 nan 8.290 nan 0.000 0.530 21 E N 0.148 120.346 120.200 -0.005 0.000 2.209 21 E HA 0.023 4.375 4.350 0.002 0.000 0.196 21 E C 1.366 177.967 176.600 0.002 0.000 0.993 21 E CA 1.347 57.747 56.400 -0.001 0.000 0.819 21 E CB -0.123 29.577 29.700 0.000 0.000 0.745 21 E HN 0.966 nan 8.360 nan 0.000 0.477 22 I N -3.991 116.580 120.570 0.003 0.000 2.994 22 I HA 0.413 4.585 4.170 0.002 0.000 0.306 22 I C -0.427 175.694 176.117 0.005 0.000 1.195 22 I CA -1.173 60.130 61.300 0.006 0.000 1.001 22 I CB 2.060 40.066 38.000 0.010 0.000 1.244 22 I HN -0.268 nan 8.210 nan 0.000 0.437 23 S N 1.774 117.478 115.700 0.007 0.000 2.672 23 S HA 0.465 4.937 4.470 0.002 0.000 0.276 23 S C 0.999 175.606 174.600 0.013 0.000 1.207 23 S CA -0.562 57.642 58.200 0.007 0.000 1.002 23 S CB 1.449 64.653 63.200 0.007 0.000 0.998 23 S HN 0.787 nan 8.310 nan 0.000 0.542 24 R N 0.517 121.026 120.500 0.014 0.000 2.075 24 R HA -0.056 4.285 4.340 0.002 0.000 0.232 24 R C 2.324 178.640 176.300 0.026 0.000 1.126 24 R CA 1.711 57.824 56.100 0.022 0.000 0.963 24 R CB -0.930 29.383 30.300 0.022 0.000 0.858 24 R HN 0.741 nan 8.270 nan 0.000 0.435 25 T N 0.527 115.093 114.554 0.019 0.000 2.904 25 T HA -0.101 4.251 4.350 0.002 0.000 0.267 25 T C 1.512 176.218 174.700 0.011 0.000 1.059 25 T CA 1.212 63.322 62.100 0.016 0.000 1.137 25 T CB 0.059 68.934 68.868 0.012 0.000 0.879 25 T HN 0.294 nan 8.240 nan 0.000 0.467 26 E N 0.355 120.562 120.200 0.011 0.000 2.028 26 E HA -0.083 4.268 4.350 0.002 0.000 0.191 26 E C 2.145 178.752 176.600 0.012 0.000 0.988 26 E CA 1.239 57.644 56.400 0.008 0.000 0.799 26 E CB -0.305 29.400 29.700 0.008 0.000 0.755 26 E HN 0.308 nan 8.360 nan 0.000 0.447 27 L N 1.408 122.644 121.223 0.021 0.000 2.012 27 L HA -0.181 4.160 4.340 0.002 0.000 0.210 27 L C 2.135 179.027 176.870 0.036 0.000 1.073 27 L CA 1.540 56.399 54.840 0.032 0.000 0.748 27 L CB -0.551 41.534 42.059 0.043 0.000 0.891 27 L HN 0.178 nan 8.230 nan 0.000 0.431 28 L N -0.910 120.335 121.223 0.037 0.000 1.976 28 L HA -0.207 4.135 4.340 0.002 0.000 0.209 28 L C 2.633 179.502 176.870 -0.002 0.000 1.071 28 L CA 1.537 56.400 54.840 0.038 0.000 0.746 28 L CB -0.431 41.654 42.059 0.044 0.000 0.890 28 L HN 0.333 nan 8.230 nan 0.000 0.432 29 E N 0.084 120.275 120.200 -0.016 0.000 2.118 29 E HA -0.220 4.132 4.350 0.002 0.000 0.195 29 E C 2.099 178.673 176.600 -0.044 0.000 0.992 29 E CA 1.323 57.693 56.400 -0.049 0.000 0.804 29 E CB -0.338 29.341 29.700 -0.035 0.000 0.741 29 E HN 0.590 nan 8.360 nan 0.000 0.458 30 A N 0.655 123.468 122.820 -0.012 0.000 1.933 30 A HA -0.138 4.183 4.320 0.002 0.000 0.218 30 A C 2.421 180.020 177.584 0.025 0.000 1.175 30 A CA 1.966 54.005 52.037 0.003 0.000 0.628 30 A CB -0.720 18.285 19.000 0.008 0.000 0.814 30 A HN 0.248 nan 8.150 nan 0.000 0.444 31 T N 0.256 114.827 114.554 0.029 0.000 2.812 31 T HA -0.023 4.329 4.350 0.002 0.000 0.264 31 T C 1.807 176.528 174.700 0.035 0.000 1.042 31 T CA 1.343 63.485 62.100 0.070 0.000 1.140 31 T CB -0.363 68.555 68.868 0.083 0.000 0.870 31 T HN 0.422 nan 8.240 nan 0.000 0.445 32 I N 1.543 122.057 120.570 -0.093 0.000 2.179 32 I HA -0.200 3.971 4.170 0.002 0.000 0.242 32 I C 2.972 178.936 176.117 -0.255 0.000 1.088 32 I CA 1.169 62.263 61.300 -0.343 0.000 1.357 32 I CB -0.552 37.091 38.000 -0.595 0.000 1.051 32 I HN 0.196 nan 8.210 nan 0.000 0.409 33 A N 0.265 123.004 122.820 -0.135 0.000 1.883 33 A HA -0.325 3.997 4.320 0.002 0.000 0.217 33 A C 2.211 179.793 177.584 -0.003 0.000 1.186 33 A CA 2.279 54.273 52.037 -0.071 0.000 0.624 33 A CB -1.057 17.925 19.000 -0.030 0.000 0.822 33 A HN 0.529 nan 8.150 nan 0.000 0.444 34 H N -0.257 118.786 119.070 -0.045 0.000 2.352 34 H HA -0.094 4.464 4.556 0.002 0.000 0.299 34 H C 1.843 177.171 175.328 -0.001 0.000 1.097 34 H CA 1.987 58.028 56.048 -0.013 0.000 1.311 34 H CB -0.316 29.452 29.762 0.011 0.000 1.377 34 H HN 0.129 nan 8.280 nan 0.000 0.504 35 V N 0.733 120.624 119.914 -0.038 0.000 2.295 35 V HA -0.292 3.829 4.120 0.002 0.000 0.246 35 V C 2.329 178.401 176.094 -0.038 0.000 1.049 35 V CA 2.273 64.550 62.300 -0.038 0.000 1.024 35 V CB -0.589 31.305 31.823 0.118 0.000 0.648 35 V HN 0.546 nan 8.190 nan 0.000 0.447 36 Q N -0.309 119.474 119.800 -0.029 0.000 2.170 36 Q HA -0.158 4.184 4.340 0.002 0.000 0.203 36 Q C 2.300 178.279 176.000 -0.035 0.000 0.976 36 Q CA 1.708 57.507 55.803 -0.006 0.000 0.858 36 Q CB -0.320 28.398 28.738 -0.033 0.000 0.907 36 Q HN 0.704 nan 8.270 nan 0.000 0.433 37 A N -0.129 122.645 122.820 -0.077 0.000 1.911 37 A HA -0.012 4.309 4.320 0.002 0.000 0.212 37 A C 2.159 179.674 177.584 -0.115 0.000 1.189 37 A CA 0.695 52.685 52.037 -0.080 0.000 0.639 37 A CB -0.025 18.937 19.000 -0.064 0.000 0.839 37 A HN 0.173 nan 8.150 nan 0.000 0.449 38 V N 0.255 120.041 119.914 -0.213 0.000 2.575 38 V HA -0.102 4.020 4.120 0.002 0.000 0.242 38 V C 2.256 178.272 176.094 -0.129 0.000 1.045 38 V CA 1.687 63.858 62.300 -0.215 0.000 1.065 38 V CB -0.867 30.709 31.823 -0.411 0.000 0.717 38 V HN 0.648 nan 8.190 nan 0.000 0.467 39 N N 0.760 119.394 118.700 -0.109 0.000 2.137 39 N HA -0.137 4.604 4.740 0.002 0.000 0.190 39 N C -0.719 174.773 175.510 -0.030 0.000 1.017 39 N CA 1.795 54.812 53.050 -0.053 0.000 0.859 39 N CB -0.906 37.569 38.487 -0.021 0.000 1.002 39 N HN 0.324 nan 8.380 nan 0.000 0.428 40 P HA -0.124 nan 4.420 nan 0.000 0.218 40 P C 0.659 177.955 177.300 -0.008 0.000 1.148 40 P CA 1.244 64.340 63.100 -0.006 0.000 0.822 40 P CB -0.004 31.693 31.700 -0.005 0.000 0.784 41 E N -0.726 119.461 120.200 -0.022 0.000 2.216 41 E HA -0.057 4.295 4.350 0.002 0.000 0.192 41 E C 1.854 178.447 176.600 -0.012 0.000 0.988 41 E CA 1.012 57.402 56.400 -0.018 0.000 0.834 41 E CB -0.177 29.505 29.700 -0.029 0.000 0.772 41 E HN 0.436 nan 8.360 nan 0.000 0.479 42 I N -2.579 117.980 120.570 -0.017 0.000 4.181 42 I HA 0.226 4.397 4.170 0.002 0.000 0.331 42 I C 0.298 176.411 176.117 -0.007 0.000 1.312 42 I CA -0.277 61.017 61.300 -0.010 0.000 1.146 42 I CB 0.142 38.133 38.000 -0.016 0.000 1.074 42 I HN -0.163 nan 8.210 nan 0.000 0.402 43 N N 2.063 120.758 118.700 -0.009 0.000 2.714 43 N HA -0.239 4.502 4.740 0.002 0.000 0.253 43 N C 0.598 176.087 175.510 -0.035 0.000 1.024 43 N CA 0.772 53.819 53.050 -0.006 0.000 0.726 43 N CB -0.620 37.883 38.487 0.026 0.000 0.908 43 N HN 0.698 nan 8.380 nan 0.000 0.542 44 A N -0.825 121.963 122.820 -0.054 0.000 1.871 44 A HA 0.261 4.583 4.320 0.002 0.000 0.211 44 A C 0.699 178.209 177.584 -0.124 0.000 1.207 44 A CA 1.040 53.029 52.037 -0.079 0.000 0.620 44 A CB 0.289 19.249 19.000 -0.066 0.000 0.860 44 A HN 0.226 nan 8.150 nan 0.000 0.450 45 V N 2.577 122.421 119.914 -0.116 0.000 2.389 45 V HA 0.144 4.266 4.120 0.002 0.000 0.264 45 V C 1.111 177.071 176.094 -0.224 0.000 1.049 45 V CA 0.286 62.488 62.300 -0.163 0.000 0.932 45 V CB 0.561 32.319 31.823 -0.108 0.000 1.011 45 V HN 0.566 nan 8.190 nan 0.000 0.475 46 I N 2.486 122.827 120.570 -0.382 0.000 3.228 46 I HA 0.377 4.548 4.170 0.002 0.000 0.279 46 I C 0.543 176.304 176.117 -0.593 0.000 1.221 46 I CA 0.887 61.831 61.300 -0.593 0.000 1.458 46 I CB 0.330 37.592 38.000 -1.229 0.000 1.105 46 I HN 0.326 nan 8.210 nan 0.000 0.445 47 I N 3.360 123.647 120.570 -0.472 0.000 2.495 47 I HA 0.429 4.601 4.170 0.002 0.000 0.277 47 I C -2.646 173.269 176.117 -0.337 0.000 1.045 47 I CA -1.864 59.229 61.300 -0.345 0.000 1.135 47 I CB 1.350 39.166 38.000 -0.307 0.000 1.241 47 I HN -0.174 nan 8.210 nan 0.000 0.469 48 P HA 0.246 nan 4.420 nan 0.000 0.275 48 P C -0.273 176.656 177.300 -0.618 0.000 1.227 48 P CA -0.075 62.595 63.100 -0.717 0.000 0.781 48 P CB 0.749 31.852 31.700 -0.994 0.000 0.906 49 L N 2.318 123.171 121.223 -0.616 0.000 3.025 49 L HA 0.281 4.623 4.340 0.002 0.000 0.307 49 L C 0.510 177.290 176.870 -0.150 0.000 1.303 49 L CA -0.203 54.453 54.840 -0.307 0.000 0.817 49 L CB -0.119 41.821 42.059 -0.198 0.000 1.227 49 L HN 0.240 nan 8.230 nan 0.000 0.571 50 F N 0.172 120.108 119.950 -0.024 0.000 2.161 50 F HA -0.145 4.383 4.527 0.002 0.000 0.300 50 F C 2.423 178.222 175.800 -0.001 0.000 1.089 50 F CA 0.965 58.959 58.000 -0.009 0.000 1.282 50 F CB -0.289 38.709 39.000 -0.004 0.000 1.010 50 F HN 0.224 nan 8.300 nan 0.000 0.485 51 E N 0.621 120.918 120.200 0.161 0.000 2.077 51 E HA -0.217 4.135 4.350 0.002 0.000 0.193 51 E C 2.191 178.832 176.600 0.068 0.000 0.989 51 E CA 1.143 57.601 56.400 0.097 0.000 0.800 51 E CB -0.536 29.200 29.700 0.059 0.000 0.746 51 E HN 0.446 nan 8.360 nan 0.000 0.452 52 K N 0.895 121.320 120.400 0.043 0.000 2.057 52 K HA -0.074 4.247 4.320 0.002 0.000 0.207 52 K C 2.147 178.782 176.600 0.059 0.000 1.049 52 K CA 1.257 57.564 56.287 0.034 0.000 0.931 52 K CB -0.113 32.389 32.500 0.003 0.000 0.714 52 K HN 0.049 nan 8.250 nan 0.000 0.440 53 A N 1.498 124.365 122.820 0.078 0.000 1.908 53 A HA -0.190 4.132 4.320 0.002 0.000 0.218 53 A C 2.130 179.773 177.584 0.099 0.000 1.181 53 A CA 1.728 53.827 52.037 0.103 0.000 0.627 53 A CB -0.522 18.567 19.000 0.148 0.000 0.818 53 A HN 0.378 nan 8.150 nan 0.000 0.445 54 R N -0.887 119.671 120.500 0.096 0.000 2.092 54 R HA -0.040 4.301 4.340 0.002 0.000 0.231 54 R C 2.521 178.856 176.300 0.060 0.000 1.119 54 R CA 1.405 57.549 56.100 0.073 0.000 0.970 54 R CB -0.237 30.104 30.300 0.068 0.000 0.864 54 R HN 0.502 nan 8.270 nan 0.000 0.440 55 R N 0.641 121.176 120.500 0.058 0.000 2.062 55 R HA -0.112 4.229 4.340 0.002 0.000 0.231 55 R C 2.099 178.431 176.300 0.053 0.000 1.136 55 R CA 1.477 57.606 56.100 0.048 0.000 0.948 55 R CB -0.221 30.104 30.300 0.043 0.000 0.845 55 R HN 0.374 nan 8.270 nan 0.000 0.430 56 E N 0.539 120.778 120.200 0.065 0.000 2.110 56 E HA -0.169 4.182 4.350 0.002 0.000 0.193 56 E C 2.008 178.653 176.600 0.074 0.000 0.988 56 E CA 1.196 57.641 56.400 0.076 0.000 0.804 56 E CB -0.151 29.610 29.700 0.101 0.000 0.745 56 E HN 0.160 nan 8.360 nan 0.000 0.458 57 S N 0.837 116.582 115.700 0.075 0.000 2.383 57 S HA -0.231 4.240 4.470 0.002 0.000 0.229 57 S C 1.800 176.428 174.600 0.047 0.000 1.030 57 S CA 1.436 59.676 58.200 0.066 0.000 1.002 57 S CB -0.117 63.121 63.200 0.065 0.000 0.829 57 S HN 0.257 nan 8.310 nan 0.000 0.467 58 E N 0.232 120.458 120.200 0.042 0.000 2.106 58 E HA -0.041 4.310 4.350 0.002 0.000 0.192 58 E C 1.978 178.595 176.600 0.029 0.000 0.984 58 E CA 1.217 57.636 56.400 0.031 0.000 0.806 58 E CB -0.155 29.563 29.700 0.029 0.000 0.750 58 E HN 0.526 nan 8.360 nan 0.000 0.458 59 L N 0.575 121.819 121.223 0.035 0.000 2.416 59 L HA 0.181 4.523 4.340 0.002 0.000 0.216 59 L C 1.168 178.057 176.870 0.033 0.000 1.098 59 L CA -0.442 54.418 54.840 0.032 0.000 0.840 59 L CB -0.179 41.902 42.059 0.036 0.000 0.981 59 L HN -0.057 nan 8.230 nan 0.000 0.462 60 A N 1.076 123.921 122.820 0.041 0.000 2.609 60 A HA 0.235 4.556 4.320 0.002 0.000 0.232 60 A C 0.477 178.071 177.584 0.017 0.000 1.041 60 A CA 0.833 52.893 52.037 0.040 0.000 0.753 60 A CB -0.141 18.889 19.000 0.049 0.000 0.966 60 A HN 0.420 nan 8.150 nan 0.000 0.510 61 S N 0.842 116.547 115.700 0.009 0.000 2.535 61 S HA 0.870 5.342 4.470 0.002 0.000 0.272 61 S C -0.265 174.323 174.600 -0.020 0.000 1.149 61 S CA 0.107 58.302 58.200 -0.009 0.000 0.888 61 S CB 1.262 64.461 63.200 -0.002 0.000 1.110 61 S HN 2.756 nan 8.310 nan 0.000 0.463 62 G N 1.890 110.661 108.800 -0.048 0.000 2.359 62 G HA2 0.294 4.255 3.960 0.002 0.000 0.303 62 G HA3 0.294 4.255 3.960 0.002 0.000 0.303 62 G C -2.717 172.102 174.900 -0.136 0.000 1.293 62 G CA -0.163 44.899 45.100 -0.063 0.000 0.964 62 G HN 0.608 nan 8.290 nan 0.000 0.531 63 P HA 0.078 nan 4.420 nan 0.000 0.225 63 P C 0.465 177.303 177.300 -0.769 0.000 1.148 63 P CA 1.230 64.079 63.100 -0.419 0.000 0.779 63 P CB -0.037 31.429 31.700 -0.389 0.000 0.780 64 F N -0.692 119.062 119.950 -0.327 0.000 2.815 64 F HA 0.429 4.957 4.527 0.002 0.000 0.335 64 F C 0.893 176.426 175.800 -0.445 0.000 1.179 64 F CA -1.024 56.655 58.000 -0.534 0.000 1.204 64 F CB -0.221 38.005 39.000 -1.290 0.000 1.050 64 F HN -0.196 nan 8.300 nan 0.000 0.510 65 A N 0.348 123.080 122.820 -0.147 0.000 2.566 65 A HA 0.392 4.714 4.320 0.002 0.000 0.245 65 A C 1.561 179.125 177.584 -0.034 0.000 1.056 65 A CA 1.242 53.234 52.037 -0.074 0.000 0.757 65 A CB -0.654 18.314 19.000 -0.055 0.000 0.979 65 A HN 1.204 nan 8.150 nan 0.000 0.508 66 G N 1.283 110.090 108.800 0.012 0.000 2.241 66 G HA2 -0.200 3.762 3.960 0.002 0.000 0.244 66 G HA3 -0.200 3.762 3.960 0.002 0.000 0.244 66 G C 0.287 175.241 174.900 0.090 0.000 0.998 66 G CA 0.064 45.194 45.100 0.049 0.000 0.621 66 G HN 1.499 nan 8.290 nan 0.000 0.519 67 V N 3.165 123.133 119.914 0.089 0.000 2.470 67 V HA 0.409 4.530 4.120 0.002 0.000 0.276 67 V C -1.449 174.859 176.094 0.358 0.000 1.040 67 V CA -0.996 61.420 62.300 0.193 0.000 1.008 67 V CB 1.218 33.159 31.823 0.197 0.000 0.990 67 V HN 0.170 nan 8.190 nan 0.000 0.477 68 P HA 0.393 nan 4.420 nan 0.000 0.277 68 P C -1.334 176.199 177.300 0.389 0.000 1.240 68 P CA -0.110 63.177 63.100 0.311 0.000 0.798 68 P CB 0.478 32.296 31.700 0.197 0.000 0.979 69 Y N -0.211 120.181 120.300 0.153 0.000 2.609 69 Y HA 0.713 5.264 4.550 0.002 0.000 0.336 69 Y C -2.243 173.688 175.900 0.051 0.000 1.129 69 Y CA -1.378 56.757 58.100 0.058 0.000 1.040 69 Y CB 0.890 39.295 38.460 -0.091 0.000 1.310 69 Y HN 0.100 nan 8.280 nan 0.000 0.460 70 L N 3.581 124.775 121.223 -0.048 0.000 2.342 70 L HA 0.616 4.958 4.340 0.002 0.000 0.271 70 L C -1.266 175.574 176.870 -0.049 0.000 1.008 70 L CA -1.168 53.569 54.840 -0.173 0.000 0.818 70 L CB 2.013 44.032 42.059 -0.066 0.000 1.296 70 L HN 0.725 nan 8.230 nan 0.000 0.427 71 L N 3.004 124.143 121.223 -0.141 0.000 2.341 71 L HA 0.427 4.769 4.340 0.002 0.000 0.278 71 L C -0.140 176.733 176.870 0.005 0.000 1.005 71 L CA -0.225 54.609 54.840 -0.010 0.000 0.818 71 L CB 1.520 43.506 42.059 -0.122 0.000 1.259 71 L HN 0.446 nan 8.230 nan 0.000 0.418 72 K N 2.329 122.843 120.400 0.190 0.000 2.326 72 K HA 0.032 4.354 4.320 0.002 0.000 0.275 72 K C -0.345 176.264 176.600 0.014 0.000 1.018 72 K CA -0.135 56.212 56.287 0.099 0.000 0.962 72 K CB 0.642 33.245 32.500 0.171 0.000 0.953 72 K HN 0.643 nan 8.250 nan 0.000 0.475 73 D N 4.283 124.657 120.400 -0.044 0.000 2.994 73 D HA 0.175 4.816 4.640 0.002 0.000 0.240 73 D C -1.476 174.829 176.300 0.008 0.000 1.195 73 D CA -0.132 53.840 54.000 -0.048 0.000 0.957 73 D CB -0.378 40.362 40.800 -0.101 0.000 1.105 73 D HN 0.290 nan 8.370 nan 0.000 0.477 74 L N 0.402 121.643 121.223 0.030 0.000 2.592 74 L HA 0.308 4.649 4.340 0.002 0.000 0.258 74 L C 0.745 177.650 176.870 0.058 0.000 0.926 74 L CA 0.035 54.905 54.840 0.050 0.000 0.885 74 L CB 1.450 43.543 42.059 0.057 0.000 1.380 74 L HN 0.253 nan 8.230 nan 0.000 0.415 75 T N 0.413 114.996 114.554 0.049 0.000 13.429 75 T HA -0.236 4.115 4.350 0.002 0.000 0.419 75 T C 0.407 175.113 174.700 0.011 0.000 1.442 75 T CA 1.981 64.110 62.100 0.048 0.000 2.357 75 T CB -1.910 67.004 68.868 0.075 0.000 2.797 75 T HN 1.504 nan 8.240 nan 0.000 0.566 76 V N 2.359 122.245 119.914 -0.046 0.000 2.732 76 V HA 0.789 4.910 4.120 0.002 0.000 0.297 76 V C 0.400 176.414 176.094 -0.134 0.000 1.060 76 V CA -0.383 61.840 62.300 -0.127 0.000 1.038 76 V CB 1.368 32.989 31.823 -0.336 0.000 1.003 76 V HN 1.179 nan 8.190 nan 0.000 0.481 77 V N 1.119 120.940 119.914 -0.155 0.000 3.102 77 V HA 0.955 5.076 4.120 0.002 0.000 0.312 77 V C -0.173 175.803 176.094 -0.196 0.000 1.135 77 V CA -0.092 62.102 62.300 -0.177 0.000 1.022 77 V CB 1.650 33.347 31.823 -0.209 0.000 1.056 77 V HN 1.404 nan 8.190 nan 0.000 0.436 78 S N 0.995 116.596 115.700 -0.165 0.000 2.482 78 S HA 0.532 5.003 4.470 0.002 0.000 0.303 78 S C -0.423 174.094 174.600 -0.138 0.000 1.091 78 S CA -0.622 57.504 58.200 -0.123 0.000 1.057 78 S CB 1.519 64.668 63.200 -0.085 0.000 1.031 78 S HN 1.118 nan 8.310 nan 0.000 0.485 79 Q N 1.233 120.970 119.800 -0.105 0.000 2.262 79 Q HA 0.334 4.676 4.340 0.002 0.000 0.298 79 Q C 1.354 177.309 176.000 -0.076 0.000 1.083 79 Q CA 1.477 57.232 55.803 -0.079 0.000 0.962 79 Q CB -0.406 28.319 28.738 -0.021 0.000 1.104 79 Q HN 1.516 nan 8.270 nan 0.000 0.376 80 G N 3.572 112.315 108.800 -0.096 0.000 2.168 80 G HA2 -0.226 3.736 3.960 0.002 0.000 0.263 80 G HA3 -0.226 3.736 3.960 0.002 0.000 0.263 80 G C -0.508 174.324 174.900 -0.113 0.000 0.977 80 G CA 0.307 45.349 45.100 -0.097 0.000 0.659 80 G HN 0.715 nan 8.290 nan 0.000 0.533 81 D N 0.102 120.423 120.400 -0.132 0.000 2.272 81 D HA 0.501 5.142 4.640 0.002 0.000 0.247 81 D C 1.074 177.289 176.300 -0.142 0.000 0.990 81 D CA -0.770 53.156 54.000 -0.123 0.000 0.931 81 D CB 1.002 41.734 40.800 -0.113 0.000 1.195 81 D HN -0.017 nan 8.370 nan 0.000 0.477 82 I N 1.506 122.020 120.570 -0.094 0.000 2.775 82 I HA -0.075 4.096 4.170 0.002 0.000 0.290 82 I C 0.822 176.929 176.117 -0.017 0.000 1.203 82 I CA 0.825 62.098 61.300 -0.044 0.000 1.433 82 I CB -0.569 37.456 38.000 0.041 0.000 1.354 82 I HN 0.332 nan 8.210 nan 0.000 0.579 83 N N 3.937 122.668 118.700 0.051 0.000 2.549 83 N HA 0.191 4.933 4.740 0.002 0.000 0.281 83 N C 0.469 176.129 175.510 0.251 0.000 1.084 83 N CA -0.115 53.018 53.050 0.138 0.000 0.862 83 N CB 1.246 39.841 38.487 0.181 0.000 1.333 83 N HN 0.724 nan 8.380 nan 0.000 0.523 84 T N -1.243 113.447 114.554 0.227 0.000 3.018 84 T HA 0.104 4.455 4.350 0.002 0.000 0.246 84 T C 0.794 175.610 174.700 0.193 0.000 1.026 84 T CA 0.385 62.636 62.100 0.252 0.000 1.081 84 T CB -0.098 69.021 68.868 0.418 0.000 0.970 84 T HN 0.358 nan 8.240 nan 0.000 0.475 85 S N 0.747 116.545 115.700 0.164 0.000 3.445 85 S HA -0.196 4.275 4.470 0.002 0.000 0.319 85 S C 0.702 175.386 174.600 0.140 0.000 1.209 85 S CA 0.722 58.991 58.200 0.115 0.000 0.934 85 S CB -2.390 60.859 63.200 0.083 0.000 0.999 85 S HN 0.934 nan 8.310 nan 0.000 0.582 86 S N -0.889 114.958 115.700 0.244 0.000 3.587 86 S HA -0.215 4.256 4.470 0.002 0.000 0.337 86 S C 0.156 174.839 174.600 0.139 0.000 1.119 86 S CA 1.174 59.547 58.200 0.288 0.000 0.976 86 S CB -1.187 62.161 63.200 0.247 0.000 0.922 86 S HN 0.742 nan 8.310 nan 0.000 0.503 87 I N 0.810 121.441 120.570 0.103 0.000 2.315 87 I HA 0.231 4.402 4.170 0.002 0.000 0.291 87 I C 1.157 177.276 176.117 0.003 0.000 1.006 87 I CA -0.708 60.620 61.300 0.046 0.000 1.265 87 I CB 1.392 39.418 38.000 0.043 0.000 1.387 87 I HN -0.047 nan 8.210 nan 0.000 0.475 88 K N 5.185 125.567 120.400 -0.030 0.000 2.001 88 K HA -0.165 4.156 4.320 0.002 0.000 0.214 88 K C 1.886 178.447 176.600 -0.066 0.000 1.050 88 K CA 2.178 58.419 56.287 -0.078 0.000 0.934 88 K CB -0.693 31.766 32.500 -0.068 0.000 0.718 88 K HN 0.801 nan 8.250 nan 0.000 0.443 89 G N -0.076 108.701 108.800 -0.039 0.000 2.462 89 G HA2 -0.236 3.725 3.960 0.002 0.000 0.220 89 G HA3 -0.236 3.725 3.960 0.002 0.000 0.220 89 G C 1.333 176.223 174.900 -0.016 0.000 1.121 89 G CA 1.111 46.192 45.100 -0.032 0.000 0.758 89 G HN 0.209 nan 8.290 nan 0.000 0.559 90 M N 0.057 119.658 119.600 0.001 0.000 2.334 90 M HA 0.142 4.623 4.480 0.002 0.000 0.266 90 M C 2.266 178.599 176.300 0.054 0.000 1.082 90 M CA 0.889 56.210 55.300 0.036 0.000 1.141 90 M CB -0.679 31.955 32.600 0.057 0.000 1.380 90 M HN 0.300 nan 8.290 nan 0.000 0.440 91 K N 0.869 121.269 120.400 0.000 0.000 2.097 91 K HA -0.156 4.166 4.320 0.002 0.000 0.205 91 K C 1.627 178.187 176.600 -0.067 0.000 1.050 91 K CA 1.413 57.666 56.287 -0.055 0.000 0.938 91 K CB 0.112 32.446 32.500 -0.278 0.000 0.718 91 K HN 0.348 nan 8.250 nan 0.000 0.442 92 E N 0.153 120.311 120.200 -0.071 0.000 2.208 92 E HA -0.122 4.229 4.350 0.002 0.000 0.193 92 E C 1.907 178.498 176.600 -0.015 0.000 0.988 92 E CA 1.261 57.627 56.400 -0.057 0.000 0.828 92 E CB 0.083 29.746 29.700 -0.061 0.000 0.763 92 E HN 0.424 nan 8.360 nan 0.000 0.478 93 S N -0.291 115.418 115.700 0.014 0.000 2.453 93 S HA 0.008 4.479 4.470 0.002 0.000 0.231 93 S C 1.800 176.441 174.600 0.069 0.000 1.005 93 S CA 0.600 58.826 58.200 0.043 0.000 0.949 93 S CB -0.077 63.161 63.200 0.063 0.000 0.774 93 S HN 0.364 nan 8.310 nan 0.000 0.510 94 G N 0.299 109.141 108.800 0.070 0.000 2.168 94 G HA2 -0.351 3.611 3.960 0.002 0.000 0.257 94 G HA3 -0.351 3.611 3.960 0.002 0.000 0.257 94 G C -0.077 174.874 174.900 0.085 0.000 0.997 94 G CA 0.304 45.442 45.100 0.064 0.000 0.708 94 G HN 0.829 nan 8.290 nan 0.000 0.520 95 Y N 1.260 121.571 120.300 0.019 0.000 2.805 95 Y HA 0.399 4.950 4.550 0.003 0.000 0.337 95 Y C 0.822 176.734 175.900 0.021 0.000 1.252 95 Y CA 0.269 58.380 58.100 0.020 0.000 1.515 95 Y CB 0.429 38.903 38.460 0.022 0.000 1.305 95 Y HN 0.369 nan 8.280 nan 0.000 0.600 96 R N 4.096 124.026 120.500 -0.950 0.000 2.575 96 R HA 0.672 5.013 4.340 0.002 0.000 0.293 96 R C -0.749 174.949 176.300 -1.004 0.000 0.983 96 R CA -0.840 54.818 56.100 -0.736 0.000 0.887 96 R CB 1.636 31.737 30.300 -0.331 0.000 1.184 96 R HN 0.846 nan 8.270 nan 0.000 0.445 97 A N 1.244 123.693 122.820 -0.618 0.000 2.466 97 A HA 0.012 4.333 4.320 0.002 0.000 0.238 97 A C 0.248 177.723 177.584 -0.181 0.000 1.074 97 A CA 0.082 51.928 52.037 -0.318 0.000 0.774 97 A CB 0.079 18.951 19.000 -0.213 0.000 1.015 97 A HN 0.899 nan 8.150 nan 0.000 0.498 98 D N -0.922 119.479 120.400 0.003 0.000 2.369 98 D HA 0.119 4.760 4.640 0.002 0.000 0.211 98 D C 0.486 176.871 176.300 0.142 0.000 1.077 98 D CA 0.870 54.913 54.000 0.071 0.000 0.842 98 D CB 0.052 40.929 40.800 0.128 0.000 0.947 98 D HN 0.700 nan 8.370 nan 0.000 0.509 99 H N -2.111 116.945 119.070 -0.022 0.000 2.933 99 H HA 0.486 5.043 4.556 0.002 0.000 0.310 99 H C -1.582 173.733 175.328 -0.021 0.000 1.351 99 H CA -0.874 55.162 56.048 -0.019 0.000 1.137 99 H CB 0.455 30.201 29.762 -0.026 0.000 1.853 99 H HN -0.255 nan 8.280 nan 0.000 0.539 100 D N 0.374 120.764 120.400 -0.016 0.000 2.193 100 D HA 0.489 5.130 4.640 0.002 0.000 0.244 100 D C 0.152 176.451 176.300 -0.001 0.000 1.064 100 D CA -0.282 53.688 54.000 -0.050 0.000 0.845 100 D CB 2.104 42.932 40.800 0.047 0.000 1.148 100 D HN 0.722 nan 8.370 nan 0.000 0.464 101 A N 2.405 125.191 122.820 -0.056 0.000 2.366 101 A HA 0.128 4.449 4.320 0.002 0.000 0.249 101 A C 0.802 178.437 177.584 0.086 0.000 1.084 101 A CA -0.113 51.911 52.037 -0.021 0.000 0.794 101 A CB 0.112 19.107 19.000 -0.009 0.000 1.034 101 A HN 0.724 nan 8.150 nan 0.000 0.491 102 Y N 0.091 120.472 120.300 0.135 0.000 2.193 102 Y HA -0.285 4.266 4.550 0.002 0.000 0.285 102 Y C 1.955 177.918 175.900 0.104 0.000 1.166 102 Y CA 1.842 60.002 58.100 0.100 0.000 1.181 102 Y CB -0.327 38.179 38.460 0.077 0.000 0.976 102 Y HN 0.840 nan 8.280 nan 0.000 0.520 103 F N 0.134 120.173 119.950 0.148 0.000 2.095 103 F HA -0.285 4.244 4.527 0.002 0.000 0.298 103 F C 2.188 178.000 175.800 0.020 0.000 1.104 103 F CA 1.563 59.598 58.000 0.058 0.000 1.232 103 F CB -0.547 38.457 39.000 0.007 0.000 0.987 103 F HN -0.236 nan 8.300 nan 0.000 0.475 104 V N 0.462 120.566 119.914 0.316 0.000 2.287 104 V HA -0.350 3.772 4.120 0.002 0.000 0.248 104 V C 2.251 178.427 176.094 0.137 0.000 1.053 104 V CA 2.299 64.744 62.300 0.242 0.000 1.027 104 V CB -0.961 30.967 31.823 0.175 0.000 0.646 104 V HN 0.425 nan 8.190 nan 0.000 0.447 105 Q N -0.540 119.338 119.800 0.129 0.000 2.050 105 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 105 Q C 2.576 178.610 176.000 0.057 0.000 0.980 105 Q CA 1.290 57.158 55.803 0.109 0.000 0.840 105 Q CB -0.289 28.540 28.738 0.151 0.000 0.898 105 Q HN 0.467 nan 8.270 nan 0.000 0.424 106 R N 0.227 120.729 120.500 0.004 0.000 2.091 106 R HA -0.066 4.276 4.340 0.002 0.000 0.238 106 R C 2.134 178.386 176.300 -0.080 0.000 1.136 106 R CA 1.178 57.240 56.100 -0.063 0.000 0.959 106 R CB -0.463 29.746 30.300 -0.152 0.000 0.856 106 R HN 0.361 nan 8.270 nan 0.000 0.437 107 M N -0.132 119.362 119.600 -0.177 0.000 2.117 107 M HA -0.120 4.361 4.480 0.002 0.000 0.262 107 M C 2.229 178.600 176.300 0.118 0.000 1.065 107 M CA 1.350 56.557 55.300 -0.155 0.000 1.114 107 M CB -0.812 31.432 32.600 -0.594 0.000 1.361 107 M HN 0.093 nan 8.290 nan 0.000 0.408 108 R N 0.218 120.789 120.500 0.118 0.000 2.081 108 R HA -0.072 4.269 4.340 0.002 0.000 0.235 108 R C 2.112 178.481 176.300 0.115 0.000 1.131 108 R CA 1.570 57.765 56.100 0.159 0.000 0.960 108 R CB -0.170 30.216 30.300 0.143 0.000 0.856 108 R HN 0.319 nan 8.270 nan 0.000 0.436 109 A N 0.339 123.208 122.820 0.083 0.000 2.015 109 A HA -0.028 4.294 4.320 0.002 0.000 0.219 109 A C 2.145 179.766 177.584 0.062 0.000 1.163 109 A CA 1.452 53.526 52.037 0.061 0.000 0.646 109 A CB -0.450 18.577 19.000 0.044 0.000 0.806 109 A HN 0.509 nan 8.150 nan 0.000 0.448 110 A N -2.169 120.708 122.820 0.096 0.000 2.169 110 A HA 0.404 4.725 4.320 0.002 0.000 0.212 110 A C 1.821 179.417 177.584 0.021 0.000 1.153 110 A CA 1.383 53.485 52.037 0.108 0.000 0.756 110 A CB -0.565 18.578 19.000 0.238 0.000 0.813 110 A HN 1.740 nan 8.150 nan 0.000 0.471 111 G N -2.318 106.498 108.800 0.028 0.000 2.231 111 G HA2 -0.180 3.781 3.960 0.002 0.000 0.206 111 G HA3 -0.180 3.781 3.960 0.002 0.000 0.206 111 G C 0.050 174.941 174.900 -0.015 0.000 0.996 111 G CA -0.142 44.941 45.100 -0.029 0.000 0.645 111 G HN 0.264 nan 8.290 nan 0.000 0.498 112 F N 1.138 121.160 119.950 0.120 0.000 2.496 112 F HA 0.464 4.992 4.527 0.002 0.000 0.344 112 F C 1.129 177.068 175.800 0.231 0.000 1.155 112 F CA 0.296 58.390 58.000 0.155 0.000 1.302 112 F CB 1.266 40.272 39.000 0.009 0.000 1.159 112 F HN 0.353 nan 8.300 nan 0.000 0.595 113 V N 2.649 122.854 119.914 0.485 0.000 2.448 113 V HA 0.509 4.630 4.120 0.002 0.000 0.295 113 V C -0.777 175.482 176.094 0.274 0.000 1.025 113 V CA -1.220 61.273 62.300 0.322 0.000 0.859 113 V CB 1.373 33.317 31.823 0.201 0.000 0.988 113 V HN 0.618 nan 8.190 nan 0.000 0.431 114 L N 5.087 126.393 121.223 0.138 0.000 2.456 114 L HA 0.316 4.657 4.340 0.002 0.000 0.277 114 L C 0.731 177.518 176.870 -0.138 0.000 1.124 114 L CA 0.325 55.039 54.840 -0.210 0.000 0.880 114 L CB 0.700 42.677 42.059 -0.137 0.000 1.192 114 L HN 0.875 nan 8.230 nan 0.000 0.463 115 L N 4.808 125.924 121.223 -0.179 0.000 2.307 115 L HA 0.554 4.895 4.340 0.002 0.000 0.211 115 L C 0.862 177.653 176.870 -0.132 0.000 1.099 115 L CA 1.204 56.023 54.840 -0.034 0.000 0.816 115 L CB -0.312 41.780 42.059 0.056 0.000 0.952 115 L HN 0.800 nan 8.230 nan 0.000 0.455 116 G N -1.282 107.381 108.800 -0.229 0.000 2.327 116 G HA2 0.186 4.148 3.960 0.002 0.000 0.291 116 G HA3 0.186 4.148 3.960 0.002 0.000 0.291 116 G C -1.584 173.167 174.900 -0.248 0.000 1.290 116 G CA -0.920 44.025 45.100 -0.257 0.000 0.857 116 G HN -0.083 nan 8.290 nan 0.000 0.520 117 K N 0.223 120.474 120.400 -0.249 0.000 2.259 117 K HA 0.685 5.006 4.320 0.002 0.000 0.252 117 K C -0.187 176.265 176.600 -0.248 0.000 0.936 117 K CA -0.641 55.509 56.287 -0.228 0.000 0.810 117 K CB 2.051 34.413 32.500 -0.230 0.000 1.143 117 K HN 0.765 nan 8.250 nan 0.000 0.427 118 T N -0.995 113.443 114.554 -0.195 0.000 2.943 118 T HA 0.231 4.583 4.350 0.002 0.000 0.284 118 T C 0.206 174.774 174.700 -0.221 0.000 1.015 118 T CA -0.914 61.068 62.100 -0.196 0.000 1.042 118 T CB 1.133 69.917 68.868 -0.139 0.000 1.055 118 T HN 0.391 nan 8.240 nan 0.000 0.500 119 N N 0.466 119.032 118.700 -0.225 0.000 2.453 119 N HA 0.425 5.166 4.740 0.002 0.000 0.253 119 N C -0.438 175.016 175.510 -0.094 0.000 1.252 119 N CA 0.265 53.195 53.050 -0.200 0.000 0.917 119 N CB 0.854 39.255 38.487 -0.142 0.000 1.117 119 N HN 0.952 nan 8.380 nan 0.000 0.442 120 T N 1.088 115.618 114.554 -0.040 0.000 2.885 120 T HA 0.479 4.830 4.350 0.002 0.000 0.322 120 T C -3.079 171.647 174.700 0.043 0.000 1.387 120 T CA -1.352 60.750 62.100 0.004 0.000 1.041 120 T CB 1.414 70.288 68.868 0.009 0.000 1.287 120 T HN 0.301 nan 8.240 nan 0.000 0.491 121 P HA 0.188 nan 4.420 nan 0.000 0.273 121 P C -0.498 176.827 177.300 0.042 0.000 1.250 121 P CA -0.256 62.867 63.100 0.037 0.000 0.793 121 P CB 0.316 32.023 31.700 0.011 0.000 1.011 122 E N 1.512 121.734 120.200 0.036 0.000 2.585 122 E HA -0.040 4.312 4.350 0.002 0.000 0.252 122 E C 0.369 176.977 176.600 0.014 0.000 0.981 122 E CA 0.261 56.682 56.400 0.035 0.000 0.943 122 E CB -0.466 29.244 29.700 0.016 0.000 0.923 122 E HN 0.343 nan 8.360 nan 0.000 0.486 123 M N 3.426 123.044 119.600 0.030 0.000 2.612 123 M HA -0.299 4.183 4.480 0.002 0.000 0.194 123 M C 0.849 177.155 176.300 0.011 0.000 0.530 123 M CA 0.874 56.185 55.300 0.019 0.000 0.548 123 M CB -2.038 30.564 32.600 0.002 0.000 2.013 123 M HN 0.921 nan 8.290 nan 0.000 0.711 124 G N 0.841 109.651 108.800 0.018 0.000 2.283 124 G HA2 -0.328 3.633 3.960 0.002 0.000 0.280 124 G HA3 -0.328 3.633 3.960 0.002 0.000 0.280 124 G C 0.216 175.115 174.900 -0.002 0.000 1.029 124 G CA 0.671 45.782 45.100 0.018 0.000 0.840 124 G HN 0.807 nan 8.290 nan 0.000 0.505 125 N N -0.506 118.175 118.700 -0.032 0.000 2.322 125 N HA 0.081 4.822 4.740 0.002 0.000 0.216 125 N C -0.038 175.416 175.510 -0.093 0.000 1.144 125 N CA 0.119 53.120 53.050 -0.081 0.000 0.830 125 N CB -0.032 38.383 38.487 -0.119 0.000 1.034 125 N HN 0.416 nan 8.380 nan 0.000 0.484 126 Q N -0.324 119.450 119.800 -0.044 0.000 2.511 126 Q HA 0.155 4.497 4.340 0.002 0.000 0.289 126 Q C 0.300 176.304 176.000 0.005 0.000 1.021 126 Q CA -0.527 55.255 55.803 -0.035 0.000 0.785 126 Q CB 1.952 30.668 28.738 -0.036 0.000 1.472 126 Q HN 0.031 nan 8.270 nan 0.000 0.411 127 V N -2.560 117.362 119.914 0.014 0.000 3.331 127 V HA 0.356 4.478 4.120 0.002 0.000 0.332 127 V C 0.380 176.483 176.094 0.015 0.000 1.341 127 V CA 0.177 62.494 62.300 0.028 0.000 1.218 127 V CB 0.416 32.261 31.823 0.037 0.000 1.152 127 V HN 0.621 nan 8.190 nan 0.000 0.445 128 T N -0.090 114.470 114.554 0.010 0.000 2.896 128 T HA 0.525 4.876 4.350 0.002 0.000 0.297 128 T C -0.421 174.287 174.700 0.013 0.000 1.108 128 T CA -0.052 62.054 62.100 0.010 0.000 1.004 128 T CB 2.210 71.083 68.868 0.007 0.000 1.159 128 T HN 0.288 nan 8.240 nan 0.000 0.499 129 T N 3.687 118.250 114.554 0.015 0.000 3.253 129 T HA 0.406 4.758 4.350 0.002 0.000 0.391 129 T C -0.379 174.340 174.700 0.031 0.000 1.527 129 T CA -0.388 61.724 62.100 0.019 0.000 1.268 129 T CB -0.009 68.863 68.868 0.007 0.000 1.126 129 T HN 0.612 nan 8.240 nan 0.000 0.620 130 E N 2.955 123.177 120.200 0.037 0.000 4.129 130 E HA 0.171 4.523 4.350 0.002 0.000 0.222 130 E C -2.561 174.074 176.600 0.058 0.000 1.179 130 E CA -1.590 54.839 56.400 0.048 0.000 1.334 130 E CB 1.089 30.812 29.700 0.038 0.000 1.202 130 E HN 0.391 nan 8.360 nan 0.000 0.428 131 P HA 0.013 nan 4.420 nan 0.000 0.271 131 P C 0.190 177.535 177.300 0.075 0.000 1.218 131 P CA 0.139 63.292 63.100 0.087 0.000 0.780 131 P CB 1.383 33.172 31.700 0.148 0.000 0.901 132 E N 1.517 121.744 120.200 0.046 0.000 2.150 132 E HA -0.125 4.226 4.350 0.002 0.000 0.193 132 E C 2.029 178.614 176.600 -0.026 0.000 0.985 132 E CA 1.330 57.742 56.400 0.019 0.000 0.814 132 E CB -0.256 29.455 29.700 0.018 0.000 0.752 132 E HN 0.544 nan 8.360 nan 0.000 0.466 133 A N 0.180 122.971 122.820 -0.049 0.000 1.898 133 A HA -0.140 4.181 4.320 0.002 0.000 0.216 133 A C 1.291 178.653 177.584 -0.370 0.000 1.181 133 A CA 1.047 52.948 52.037 -0.228 0.000 0.620 133 A CB -0.516 18.336 19.000 -0.246 0.000 0.819 133 A HN 0.370 nan 8.150 nan 0.000 0.442 134 W N -1.454 119.844 121.300 -0.003 0.000 2.870 134 W HA 0.450 5.111 4.660 0.002 0.000 0.358 134 W C 1.067 177.583 176.519 -0.005 0.000 1.043 134 W CA 0.582 57.923 57.345 -0.006 0.000 1.692 134 W CB 0.292 29.746 29.460 -0.010 0.000 1.100 134 W HN 0.662 nan 8.180 nan 0.000 0.557 135 G N 1.186 110.089 108.800 0.171 0.000 2.756 135 G HA2 0.143 4.105 3.960 0.002 0.000 0.678 135 G HA3 0.143 4.105 3.960 0.002 0.000 0.678 135 G C -0.257 174.708 174.900 0.108 0.000 1.349 135 G CA -0.865 44.302 45.100 0.111 0.000 0.847 135 G HN 0.463 nan 8.290 nan 0.000 0.548 136 A N -0.026 122.836 122.820 0.071 0.000 2.371 136 A HA 0.742 5.063 4.320 0.002 0.000 0.257 136 A C 0.830 178.440 177.584 0.045 0.000 1.089 136 A CA 1.084 53.153 52.037 0.054 0.000 0.794 136 A CB 0.461 19.485 19.000 0.040 0.000 1.029 136 A HN 1.574 nan 8.150 nan 0.000 0.488 137 T N 2.545 117.117 114.554 0.031 0.000 2.799 137 T HA 0.474 4.826 4.350 0.002 0.000 0.286 137 T C 0.176 174.886 174.700 0.017 0.000 0.973 137 T CA -0.158 61.951 62.100 0.014 0.000 1.035 137 T CB 0.545 69.409 68.868 -0.007 0.000 0.932 137 T HN 0.656 nan 8.240 nan 0.000 0.469 138 R N 2.358 122.869 120.500 0.017 0.000 2.668 138 R HA 0.381 4.723 4.340 0.002 0.000 0.279 138 R C 0.098 176.420 176.300 0.038 0.000 0.976 138 R CA -0.984 55.132 56.100 0.026 0.000 0.978 138 R CB 0.825 31.139 30.300 0.023 0.000 1.133 138 R HN 0.437 nan 8.270 nan 0.000 0.484 139 N N 2.444 121.181 118.700 0.062 0.000 2.452 139 N HA 0.047 4.788 4.740 0.002 0.000 0.266 139 N C -1.904 173.674 175.510 0.114 0.000 1.175 139 N CA -1.602 51.516 53.050 0.113 0.000 0.945 139 N CB 1.312 39.883 38.487 0.140 0.000 1.063 139 N HN 0.274 nan 8.380 nan 0.000 0.472 140 P HA -0.056 nan 4.420 nan 0.000 0.221 140 P C 0.483 177.725 177.300 -0.096 0.000 1.145 140 P CA 1.184 64.262 63.100 -0.036 0.000 0.795 140 P CB 0.055 31.695 31.700 -0.100 0.000 0.775 141 W N -1.357 119.954 121.300 0.018 0.000 2.658 141 W HA 0.137 4.798 4.660 0.003 0.000 0.263 141 W C 0.690 177.213 176.519 0.008 0.000 1.274 141 W CA 0.479 57.834 57.345 0.016 0.000 1.343 141 W CB -0.140 29.334 29.460 0.022 0.000 1.106 141 W HN -0.099 nan 8.180 nan 0.000 0.615 142 N N -0.076 118.744 118.700 0.201 0.000 2.976 142 N HA 0.017 4.759 4.740 0.002 0.000 0.249 142 N C 0.107 175.665 175.510 0.080 0.000 1.258 142 N CA -0.112 53.008 53.050 0.117 0.000 0.864 142 N CB 0.351 38.907 38.487 0.115 0.000 1.551 142 N HN -0.050 nan 8.380 nan 0.000 0.607 143 L N 1.139 122.391 121.223 0.049 0.000 2.351 143 L HA -0.049 4.292 4.340 0.002 0.000 0.220 143 L C 2.018 178.907 176.870 0.032 0.000 1.127 143 L CA 1.723 56.584 54.840 0.034 0.000 0.786 143 L CB -0.084 41.986 42.059 0.018 0.000 0.914 143 L HN 0.565 nan 8.230 nan 0.000 0.443 144 G N -0.888 107.933 108.800 0.034 0.000 2.985 144 G HA2 0.020 3.981 3.960 0.002 0.000 0.209 144 G HA3 0.020 3.981 3.960 0.002 0.000 0.209 144 G C 0.822 175.739 174.900 0.028 0.000 1.165 144 G CA -0.261 44.856 45.100 0.027 0.000 0.776 144 G HN 0.037 nan 8.290 nan 0.000 0.541 145 R N 0.345 120.868 120.500 0.038 0.000 2.720 145 R HA 0.486 4.827 4.340 0.002 0.000 0.272 145 R C 0.056 176.377 176.300 0.034 0.000 0.991 145 R CA -0.543 55.577 56.100 0.034 0.000 1.010 145 R CB 1.169 31.494 30.300 0.041 0.000 1.141 145 R HN 0.093 nan 8.270 nan 0.000 0.494 146 S N -0.257 115.456 115.700 0.022 0.000 2.589 146 S HA 0.079 4.550 4.470 0.002 0.000 0.265 146 S C 1.028 175.643 174.600 0.025 0.000 1.342 146 S CA -0.382 57.829 58.200 0.019 0.000 1.005 146 S CB 0.586 63.791 63.200 0.008 0.000 0.909 146 S HN 0.431 nan 8.310 nan 0.000 0.555 147 V N 0.497 120.424 119.914 0.022 0.000 3.427 147 V HA 0.621 4.742 4.120 0.002 0.000 0.305 147 V C 1.070 177.172 176.094 0.013 0.000 1.412 147 V CA 0.359 62.673 62.300 0.023 0.000 1.086 147 V CB -1.212 30.620 31.823 0.014 0.000 0.964 147 V HN 1.476 nan 8.190 nan 0.000 0.439 148 G N -0.281 108.525 108.800 0.011 0.000 2.741 148 G HA2 0.389 4.350 3.960 0.002 0.000 0.222 148 G HA3 0.389 4.350 3.960 0.002 0.000 0.222 148 G C 0.061 174.973 174.900 0.021 0.000 1.364 148 G CA -0.196 44.912 45.100 0.013 0.000 0.866 148 G HN 1.999 nan 8.290 nan 0.000 0.555 149 G N -2.810 106.010 108.800 0.034 0.000 2.495 149 G HA2 0.725 4.686 3.960 0.002 0.000 0.294 149 G HA3 0.725 4.686 3.960 0.002 0.000 0.294 149 G C 0.761 175.695 174.900 0.056 0.000 1.397 149 G CA 0.889 46.012 45.100 0.039 0.000 0.790 149 G HN 2.119 nan 8.290 nan 0.000 0.486 150 S N -1.214 114.520 115.700 0.057 0.000 2.496 150 S HA 0.071 4.543 4.470 0.002 0.000 0.224 150 S C 1.354 175.979 174.600 0.042 0.000 0.996 150 S CA 1.165 59.391 58.200 0.042 0.000 0.927 150 S CB 0.155 63.378 63.200 0.038 0.000 0.774 150 S HN 0.510 nan 8.310 nan 0.000 0.524 151 S N 1.844 117.590 115.700 0.077 0.000 2.815 151 S HA 0.352 4.823 4.470 0.002 0.000 0.254 151 S C 1.565 176.163 174.600 -0.003 0.000 1.197 151 S CA 0.020 58.271 58.200 0.086 0.000 1.216 151 S CB -0.247 63.113 63.200 0.266 0.000 0.871 151 S HN 0.694 nan 8.310 nan 0.000 0.473 152 G N 1.986 110.774 108.800 -0.020 0.000 2.422 152 G HA2 -0.104 3.857 3.960 0.002 0.000 0.218 152 G HA3 -0.104 3.857 3.960 0.002 0.000 0.218 152 G C 1.378 176.207 174.900 -0.119 0.000 1.146 152 G CA 0.637 45.703 45.100 -0.057 0.000 0.769 152 G HN 0.595 nan 8.290 nan 0.000 0.547 153 G N 0.596 109.327 108.800 -0.115 0.000 2.418 153 G HA2 -0.142 3.819 3.960 0.002 0.000 0.217 153 G HA3 -0.142 3.819 3.960 0.002 0.000 0.217 153 G C 2.114 176.894 174.900 -0.200 0.000 1.158 153 G CA 1.396 46.415 45.100 -0.136 0.000 0.771 153 G HN 0.417 nan 8.290 nan 0.000 0.545 154 S N 0.589 116.122 115.700 -0.278 0.000 2.383 154 S HA -0.015 4.457 4.470 0.002 0.000 0.227 154 S C 2.505 176.658 174.600 -0.746 0.000 1.026 154 S CA 1.104 59.051 58.200 -0.422 0.000 0.981 154 S CB -0.486 62.496 63.200 -0.363 0.000 0.818 154 S HN 0.524 nan 8.310 nan 0.000 0.472 155 G N 1.465 109.692 108.800 -0.955 0.000 2.421 155 G HA2 -0.094 3.868 3.960 0.002 0.000 0.216 155 G HA3 -0.094 3.868 3.960 0.002 0.000 0.216 155 G C 1.566 176.296 174.900 -0.283 0.000 1.171 155 G CA 0.931 45.553 45.100 -0.796 0.000 0.775 155 G HN 0.569 nan 8.290 nan 0.000 0.543 156 A N 1.102 123.820 122.820 -0.170 0.000 1.898 156 A HA 0.307 4.628 4.320 0.002 0.000 0.216 156 A C 2.821 180.388 177.584 -0.029 0.000 1.181 156 A CA 2.175 54.188 52.037 -0.039 0.000 0.620 156 A CB -0.787 18.196 19.000 -0.028 0.000 0.819 156 A HN 0.792 nan 8.150 nan 0.000 0.442 157 A N -0.501 122.269 122.820 -0.083 0.000 1.883 157 A HA -0.056 4.265 4.320 0.002 0.000 0.217 157 A C 2.227 179.820 177.584 0.015 0.000 1.186 157 A CA 1.948 53.964 52.037 -0.036 0.000 0.624 157 A CB -0.980 17.981 19.000 -0.066 0.000 0.822 157 A HN 0.413 nan 8.150 nan 0.000 0.444 158 V N -0.297 119.598 119.914 -0.031 0.000 2.427 158 V HA -0.193 3.929 4.120 0.002 0.000 0.248 158 V C 2.998 179.151 176.094 0.098 0.000 1.051 158 V CA 1.758 64.072 62.300 0.023 0.000 1.048 158 V CB -1.089 30.733 31.823 -0.003 0.000 0.666 158 V HN 0.617 nan 8.190 nan 0.000 0.456 159 A N -0.166 122.732 122.820 0.131 0.000 2.019 159 A HA 0.035 4.357 4.320 0.002 0.000 0.219 159 A C 2.108 179.870 177.584 0.297 0.000 1.164 159 A CA 1.709 53.913 52.037 0.277 0.000 0.644 159 A CB -0.401 18.795 19.000 0.327 0.000 0.805 159 A HN 0.590 nan 8.150 nan 0.000 0.449 160 A N -2.009 120.930 122.820 0.199 0.000 2.379 160 A HA 0.556 4.878 4.320 0.002 0.000 0.236 160 A C 1.290 179.083 177.584 0.350 0.000 1.272 160 A CA 0.963 53.118 52.037 0.197 0.000 0.886 160 A CB -0.827 18.222 19.000 0.081 0.000 0.962 160 A HN 1.956 nan 8.150 nan 0.000 0.504 161 A N -1.043 121.985 122.820 0.348 0.000 2.872 161 A HA -0.179 4.142 4.320 0.002 0.000 0.273 161 A C 1.067 178.826 177.584 0.292 0.000 1.442 161 A CA 1.151 53.369 52.037 0.302 0.000 0.801 161 A CB -2.511 16.699 19.000 0.350 0.000 1.031 161 A HN 0.635 nan 8.150 nan 0.000 0.582 162 L N -1.271 120.095 121.223 0.238 0.000 2.465 162 L HA 0.110 4.451 4.340 0.002 0.000 0.224 162 L C 0.837 177.802 176.870 0.159 0.000 1.145 162 L CA 1.183 56.147 54.840 0.207 0.000 0.834 162 L CB -0.121 42.000 42.059 0.103 0.000 0.944 162 L HN 0.522 nan 8.230 nan 0.000 0.451 163 S N -2.242 113.539 115.700 0.135 0.000 2.580 163 S HA 0.221 4.692 4.470 0.002 0.000 0.281 163 S C -2.127 172.536 174.600 0.104 0.000 1.129 163 S CA -0.626 57.650 58.200 0.126 0.000 0.862 163 S CB 2.105 65.375 63.200 0.117 0.000 1.090 163 S HN -0.212 nan 8.310 nan 0.000 0.451 164 P HA 0.051 nan 4.420 nan 0.000 0.222 164 P C 0.276 177.619 177.300 0.071 0.000 1.153 164 P CA 0.801 63.945 63.100 0.072 0.000 0.798 164 P CB -0.018 31.744 31.700 0.103 0.000 0.796 165 V N -4.445 115.526 119.914 0.095 0.000 3.114 165 V HA 0.947 5.068 4.120 0.002 0.000 0.308 165 V C -1.314 174.858 176.094 0.130 0.000 1.168 165 V CA -1.307 61.037 62.300 0.074 0.000 1.015 165 V CB 1.662 33.453 31.823 -0.052 0.000 1.050 165 V HN 0.153 nan 8.190 nan 0.000 0.433 166 A N 1.304 124.239 122.820 0.190 0.000 2.606 166 A HA 0.786 5.108 4.320 0.002 0.000 0.293 166 A C -1.168 176.633 177.584 0.361 0.000 1.082 166 A CA -0.555 51.644 52.037 0.270 0.000 0.685 166 A CB 1.604 20.691 19.000 0.144 0.000 1.284 166 A HN 1.663 nan 8.150 nan 0.000 0.408 167 H N 0.513 119.727 119.070 0.240 0.000 2.496 167 H HA 0.778 5.336 4.556 0.002 0.000 0.342 167 H C -0.046 175.356 175.328 0.122 0.000 1.170 167 H CA 0.509 56.601 56.048 0.074 0.000 1.274 167 H CB 1.740 31.363 29.762 -0.231 0.000 1.538 167 H HN 1.287 nan 8.280 nan 0.000 0.542 168 G N 1.723 109.877 108.800 -1.076 0.000 2.506 168 G HA2 0.283 4.245 3.960 0.002 0.000 0.292 168 G HA3 0.283 4.245 3.960 0.002 0.000 0.292 168 G C -1.883 172.594 174.900 -0.705 0.000 1.425 168 G CA -1.050 43.688 45.100 -0.603 0.000 0.788 168 G HN 0.858 nan 8.290 nan 0.000 0.490 169 N N -0.333 118.196 118.700 -0.285 0.000 2.405 169 N HA 0.655 5.396 4.740 0.002 0.000 0.285 169 N C -1.925 173.548 175.510 -0.062 0.000 1.262 169 N CA -0.941 52.019 53.050 -0.149 0.000 0.773 169 N CB 3.001 41.467 38.487 -0.035 0.000 1.490 169 N HN 0.400 nan 8.380 nan 0.000 0.486 170 D N -0.792 119.599 120.400 -0.016 0.000 2.575 170 D HA 0.517 5.158 4.640 0.002 0.000 0.250 170 D C -0.771 175.576 176.300 0.078 0.000 1.279 170 D CA -0.556 53.441 54.000 -0.006 0.000 0.925 170 D CB 1.857 42.595 40.800 -0.104 0.000 1.261 170 D HN 0.648 nan 8.370 nan 0.000 0.567 171 A N 2.336 125.231 122.820 0.124 0.000 2.192 171 A HA 0.534 4.855 4.320 0.002 0.000 0.208 171 A C 1.080 178.805 177.584 0.236 0.000 1.220 171 A CA 0.805 52.976 52.037 0.223 0.000 0.900 171 A CB 0.589 19.743 19.000 0.257 0.000 0.937 171 A HN 0.520 nan 8.150 nan 0.000 0.487 172 A N -2.026 120.903 122.820 0.182 0.000 2.674 172 A HA 0.513 4.834 4.320 0.002 0.000 0.274 172 A C 1.074 178.710 177.584 0.087 0.000 1.065 172 A CA 0.908 53.041 52.037 0.160 0.000 0.978 172 A CB -0.039 19.168 19.000 0.345 0.000 1.242 172 A HN 1.740 nan 8.150 nan 0.000 0.583 173 G N -0.840 107.990 108.800 0.051 0.000 2.173 173 G HA2 -0.135 3.826 3.960 0.002 0.000 0.142 173 G HA3 -0.135 3.826 3.960 0.002 0.000 0.142 173 G C 0.781 175.696 174.900 0.025 0.000 1.019 173 G CA 0.431 45.546 45.100 0.026 0.000 0.699 173 G HN 0.418 nan 8.290 nan 0.000 0.495 174 S N -0.560 115.162 115.700 0.037 0.000 2.528 174 S HA 0.009 4.480 4.470 0.002 0.000 0.244 174 S C 2.149 176.782 174.600 0.054 0.000 0.982 174 S CA 1.420 59.650 58.200 0.050 0.000 0.953 174 S CB 0.171 63.405 63.200 0.056 0.000 0.754 174 S HN 0.499 nan 8.310 nan 0.000 0.529 175 V N 0.303 120.192 119.914 -0.041 0.000 2.806 175 V HA 0.105 4.227 4.120 0.002 0.000 0.239 175 V C 2.097 178.113 176.094 -0.130 0.000 1.113 175 V CA 0.568 62.763 62.300 -0.175 0.000 1.137 175 V CB -0.207 31.324 31.823 -0.486 0.000 0.865 175 V HN 0.237 nan 8.190 nan 0.000 0.482 176 R N 0.141 120.568 120.500 -0.122 0.000 2.096 176 R HA -0.065 4.276 4.340 0.002 0.000 0.235 176 R C 2.154 178.456 176.300 0.003 0.000 1.127 176 R CA 1.652 57.707 56.100 -0.076 0.000 0.968 176 R CB -0.376 29.882 30.300 -0.070 0.000 0.861 176 R HN 0.432 nan 8.270 nan 0.000 0.440 177 I N 0.674 121.262 120.570 0.029 0.000 2.142 177 I HA -0.186 3.985 4.170 0.002 0.000 0.240 177 I C -0.837 175.316 176.117 0.059 0.000 1.078 177 I CA 1.211 62.532 61.300 0.036 0.000 1.343 177 I CB -1.003 37.019 38.000 0.037 0.000 1.046 177 I HN 0.061 nan 8.210 nan 0.000 0.405 178 P HA -0.126 nan 4.420 nan 0.000 0.218 178 P C 1.370 178.760 177.300 0.150 0.000 1.149 178 P CA 1.566 64.737 63.100 0.119 0.000 0.817 178 P CB -0.023 31.764 31.700 0.143 0.000 0.785 179 A N -0.500 122.487 122.820 0.278 0.000 1.873 179 A HA -0.187 4.135 4.320 0.002 0.000 0.215 179 A C 2.535 180.139 177.584 0.033 0.000 1.186 179 A CA 2.201 54.375 52.037 0.228 0.000 0.616 179 A CB -1.632 17.470 19.000 0.169 0.000 0.823 179 A HN 0.215 nan 8.150 nan 0.000 0.442 180 S N -0.601 115.094 115.700 -0.008 0.000 2.356 180 S HA -0.132 4.339 4.470 0.002 0.000 0.223 180 S C 1.891 176.432 174.600 -0.099 0.000 1.032 180 S CA 1.752 59.908 58.200 -0.073 0.000 1.005 180 S CB -0.493 62.673 63.200 -0.057 0.000 0.867 180 S HN 0.287 nan 8.310 nan 0.000 0.449 181 V N 0.613 120.492 119.914 -0.058 0.000 2.515 181 V HA -0.120 4.001 4.120 0.002 0.000 0.250 181 V C 2.123 178.166 176.094 -0.084 0.000 1.058 181 V CA 1.591 63.848 62.300 -0.071 0.000 1.064 181 V CB -0.671 31.137 31.823 -0.026 0.000 0.675 181 V HN 0.672 nan 8.190 nan 0.000 0.461 182 C N 0.381 119.669 119.300 -0.019 0.000 2.906 182 C HA 0.530 4.992 4.460 0.002 0.000 0.274 182 C C 1.758 176.825 174.990 0.128 0.000 1.257 182 C CA -0.131 58.946 59.018 0.097 0.000 1.695 182 C CB -0.919 26.902 27.740 0.135 0.000 1.958 182 C HN 0.779 nan 8.230 nan 0.000 0.619 183 G N 1.673 110.410 108.800 -0.105 0.000 2.246 183 G HA2 -0.130 3.832 3.960 0.002 0.000 0.273 183 G HA3 -0.130 3.832 3.960 0.002 0.000 0.273 183 G C -0.087 174.829 174.900 0.027 0.000 1.055 183 G CA 0.697 45.724 45.100 -0.122 0.000 0.851 183 G HN 1.081 nan 8.290 nan 0.000 0.500 184 V N -4.081 115.832 119.914 -0.002 0.000 3.158 184 V HA 0.896 5.017 4.120 0.002 0.000 0.311 184 V C 0.540 176.592 176.094 -0.070 0.000 1.181 184 V CA -1.226 61.082 62.300 0.013 0.000 1.054 184 V CB 2.042 33.945 31.823 0.134 0.000 1.085 184 V HN 0.594 nan 8.190 nan 0.000 0.446 185 V N 1.235 121.127 119.914 -0.037 0.000 2.498 185 V HA 0.734 4.856 4.120 0.002 0.000 0.279 185 V C 0.851 176.930 176.094 -0.026 0.000 1.048 185 V CA 0.755 63.008 62.300 -0.077 0.000 0.967 185 V CB 0.718 32.535 31.823 -0.010 0.000 0.988 185 V HN 1.290 nan 8.190 nan 0.000 0.473 186 G N 4.516 113.239 108.800 -0.129 0.000 2.683 186 G HA2 0.603 4.565 3.960 0.002 0.000 0.299 186 G HA3 0.603 4.565 3.960 0.002 0.000 0.299 186 G C -1.566 173.153 174.900 -0.302 0.000 1.432 186 G CA -0.475 44.433 45.100 -0.320 0.000 0.978 186 G HN 0.607 nan 8.290 nan 0.000 0.513 187 L N 1.708 122.730 121.223 -0.336 0.000 2.322 187 L HA 0.693 5.035 4.340 0.002 0.000 0.281 187 L C -0.083 176.623 176.870 -0.273 0.000 1.014 187 L CA -0.891 53.794 54.840 -0.259 0.000 0.815 187 L CB 1.687 43.623 42.059 -0.205 0.000 1.247 187 L HN 0.383 nan 8.230 nan 0.000 0.421 188 K N 7.859 128.111 120.400 -0.246 0.000 2.347 188 K HA 0.490 4.811 4.320 0.002 0.000 0.262 188 K C -2.579 173.888 176.600 -0.222 0.000 1.052 188 K CA -1.880 54.258 56.287 -0.249 0.000 0.946 188 K CB 1.121 33.437 32.500 -0.308 0.000 1.220 188 K HN 0.437 nan 8.250 nan 0.000 0.450 189 P HA 0.030 nan 4.420 nan 0.000 0.286 189 P C -0.411 176.825 177.300 -0.107 0.000 1.293 189 P CA -0.312 62.702 63.100 -0.142 0.000 0.770 189 P CB 0.320 31.956 31.700 -0.106 0.000 1.206 190 T N 0.624 115.077 114.554 -0.168 0.000 2.940 190 T HA 0.039 4.390 4.350 0.002 0.000 0.309 190 T C 0.776 175.405 174.700 -0.119 0.000 1.056 190 T CA -0.050 61.883 62.100 -0.279 0.000 1.137 190 T CB -0.110 68.474 68.868 -0.473 0.000 0.976 190 T HN 0.353 nan 8.240 nan 0.000 0.547 191 R N 1.431 121.869 120.500 -0.104 0.000 2.538 191 R HA 0.232 4.573 4.340 0.002 0.000 0.282 191 R C 1.270 177.540 176.300 -0.050 0.000 1.009 191 R CA 1.173 57.184 56.100 -0.150 0.000 1.063 191 R CB -0.506 29.671 30.300 -0.205 0.000 0.945 191 R HN 0.986 nan 8.270 nan 0.000 0.414 192 G N 3.460 112.269 108.800 0.015 0.000 2.176 192 G HA2 -0.312 3.649 3.960 0.002 0.000 0.253 192 G HA3 -0.312 3.649 3.960 0.002 0.000 0.253 192 G C 0.727 175.698 174.900 0.119 0.000 0.979 192 G CA 0.441 45.636 45.100 0.158 0.000 0.641 192 G HN 0.674 nan 8.290 nan 0.000 0.530 193 R N 0.316 120.855 120.500 0.065 0.000 2.062 193 R HA 0.347 4.689 4.340 0.002 0.000 0.226 193 R C 1.145 177.502 176.300 0.095 0.000 1.125 193 R CA 1.310 57.449 56.100 0.064 0.000 0.966 193 R CB -0.097 30.210 30.300 0.013 0.000 0.861 193 R HN 0.482 nan 8.270 nan 0.000 0.433 194 I N 0.945 121.583 120.570 0.113 0.000 2.378 194 I HA 0.204 4.375 4.170 0.002 0.000 0.291 194 I C -0.319 175.911 176.117 0.189 0.000 0.992 194 I CA -0.856 60.542 61.300 0.163 0.000 1.154 194 I CB 1.838 39.972 38.000 0.223 0.000 1.315 194 I HN 0.064 nan 8.210 nan 0.000 0.448 195 S N 7.709 123.526 115.700 0.196 0.000 2.549 195 S HA 0.303 4.775 4.470 0.002 0.000 0.279 195 S C -1.473 173.285 174.600 0.264 0.000 1.321 195 S CA -0.946 57.383 58.200 0.216 0.000 1.054 195 S CB 0.740 64.071 63.200 0.218 0.000 0.899 195 S HN 0.529 nan 8.310 nan 0.000 0.497 196 P HA 0.258 nan 4.420 nan 0.000 0.275 196 P C 0.708 178.086 177.300 0.130 0.000 1.310 196 P CA -0.124 63.076 63.100 0.167 0.000 0.904 196 P CB -0.000 31.783 31.700 0.138 0.000 1.381 197 G N 2.457 111.355 108.800 0.164 0.000 2.553 197 G HA2 0.205 4.166 3.960 0.002 0.000 0.278 197 G HA3 0.205 4.166 3.960 0.002 0.000 0.278 197 G C -1.379 173.329 174.900 -0.320 0.000 1.349 197 G CA -1.053 44.066 45.100 0.031 0.000 1.037 197 G HN -0.078 nan 8.290 nan 0.000 0.508 198 P HA -0.011 nan 4.420 nan 0.000 0.223 198 P C 0.906 178.138 177.300 -0.113 0.000 1.151 198 P CA 0.373 63.248 63.100 -0.376 0.000 0.787 198 P CB 0.204 31.619 31.700 -0.475 0.000 0.788 199 L N -0.008 121.188 121.223 -0.046 0.000 2.492 199 L HA 0.039 4.380 4.340 0.002 0.000 0.280 199 L C 0.509 177.396 176.870 0.028 0.000 1.240 199 L CA 0.108 54.957 54.840 0.015 0.000 0.831 199 L CB 0.400 42.512 42.059 0.088 0.000 1.100 199 L HN -0.246 nan 8.230 nan 0.000 0.505 200 V N 1.466 121.397 119.914 0.028 0.000 2.325 200 V HA 0.334 4.455 4.120 0.002 0.000 0.280 200 V C 0.172 176.291 176.094 0.042 0.000 1.016 200 V CA -0.425 61.899 62.300 0.039 0.000 0.818 200 V CB 1.239 33.077 31.823 0.026 0.000 1.019 200 V HN 0.936 nan 8.190 nan 0.000 0.434 201 T N -0.194 114.394 114.554 0.057 0.000 2.926 201 T HA 0.520 4.872 4.350 0.002 0.000 0.289 201 T C -0.078 174.660 174.700 0.064 0.000 1.054 201 T CA -0.484 61.647 62.100 0.052 0.000 1.015 201 T CB 1.876 70.775 68.868 0.053 0.000 1.167 201 T HN 0.586 nan 8.240 nan 0.000 0.526 202 D N 0.139 120.570 120.400 0.052 0.000 2.837 202 D HA -0.172 4.469 4.640 0.002 0.000 0.230 202 D C -0.289 176.062 176.300 0.085 0.000 1.152 202 D CA 1.278 55.314 54.000 0.060 0.000 0.736 202 D CB -1.897 38.945 40.800 0.071 0.000 1.084 202 D HN 0.962 nan 8.370 nan 0.000 0.429 203 S N 0.021 115.765 115.700 0.073 0.000 3.578 203 S HA -0.197 4.274 4.470 0.002 0.000 0.449 203 S C 0.313 175.007 174.600 0.156 0.000 0.853 203 S CA 0.902 59.160 58.200 0.097 0.000 1.348 203 S CB -0.570 62.704 63.200 0.123 0.000 0.907 203 S HN 0.600 nan 8.310 nan 0.000 0.627 204 D N 1.000 121.480 120.400 0.132 0.000 2.723 204 D HA -0.217 4.425 4.640 0.002 0.000 0.236 204 D C 0.082 176.522 176.300 0.232 0.000 1.138 204 D CA 1.500 55.604 54.000 0.173 0.000 0.676 204 D CB -1.870 39.044 40.800 0.190 0.000 1.069 204 D HN 0.981 nan 8.370 nan 0.000 0.430 205 N N -1.302 117.501 118.700 0.172 0.000 2.714 205 N HA -0.199 4.543 4.740 0.002 0.000 0.253 205 N C -0.029 175.576 175.510 0.159 0.000 1.024 205 N CA 0.613 53.756 53.050 0.155 0.000 0.726 205 N CB -0.846 37.735 38.487 0.157 0.000 0.908 205 N HN 0.399 nan 8.380 nan 0.000 0.542 206 V N -2.644 117.367 119.914 0.161 0.000 5.820 206 V HA -0.301 3.820 4.120 0.002 0.000 0.300 206 V C 1.294 177.505 176.094 0.196 0.000 0.585 206 V CA 1.548 63.949 62.300 0.168 0.000 0.629 206 V CB -2.494 29.431 31.823 0.170 0.000 0.291 206 V HN 1.411 nan 8.190 nan 0.000 0.887 207 A N -1.425 121.531 122.820 0.227 0.000 2.832 207 A HA 0.205 4.527 4.320 0.002 0.000 0.280 207 A C 2.581 180.274 177.584 0.181 0.000 1.464 207 A CA 1.827 54.013 52.037 0.247 0.000 0.804 207 A CB -1.456 17.634 19.000 0.150 0.000 1.020 207 A HN 2.897 nan 8.150 nan 0.000 0.563 208 G N -3.097 105.761 108.800 0.096 0.000 2.217 208 G HA2 0.090 4.051 3.960 0.002 0.000 0.246 208 G HA3 0.090 4.051 3.960 0.002 0.000 0.246 208 G C 1.452 176.127 174.900 -0.375 0.000 0.990 208 G CA 1.223 46.016 45.100 -0.512 0.000 0.627 208 G HN 2.264 nan 8.290 nan 0.000 0.522 209 A N 0.140 122.941 122.820 -0.031 0.000 2.014 209 A HA 0.630 4.952 4.320 0.002 0.000 0.218 209 A C 1.741 179.474 177.584 0.250 0.000 1.163 209 A CA 2.063 54.176 52.037 0.127 0.000 0.652 209 A CB -0.287 18.893 19.000 0.300 0.000 0.808 209 A HN 2.071 nan 8.150 nan 0.000 0.449 210 A N 0.684 123.604 122.820 0.166 0.000 2.354 210 A HA 0.551 4.872 4.320 0.002 0.000 0.281 210 A C -0.705 176.957 177.584 0.131 0.000 1.174 210 A CA -0.347 51.807 52.037 0.196 0.000 0.828 210 A CB -0.259 18.827 19.000 0.143 0.000 1.099 210 A HN 0.528 nan 8.150 nan 0.000 0.516 211 H N 1.104 120.175 119.070 0.002 0.000 2.524 211 H HA 0.496 5.053 4.556 0.002 0.000 0.353 211 H C -0.417 174.894 175.328 -0.029 0.000 1.136 211 H CA -0.734 55.305 56.048 -0.016 0.000 1.193 211 H CB 1.013 30.741 29.762 -0.056 0.000 1.558 211 H HN 0.573 nan 8.280 nan 0.000 0.515 212 E N 1.017 121.286 120.200 0.117 0.000 2.343 212 E HA 0.481 4.832 4.350 0.002 0.000 0.269 212 E C 0.498 177.084 176.600 -0.024 0.000 1.047 212 E CA -0.275 56.140 56.400 0.025 0.000 0.874 212 E CB 1.547 31.315 29.700 0.113 0.000 1.033 212 E HN 0.841 nan 8.360 nan 0.000 0.409 213 G N 0.738 109.428 108.800 -0.183 0.000 2.949 213 G HA2 0.727 4.688 3.960 0.002 0.000 0.285 213 G HA3 0.727 4.688 3.960 0.002 0.000 0.285 213 G C -1.247 173.505 174.900 -0.247 0.000 1.395 213 G CA -0.681 44.291 45.100 -0.214 0.000 0.901 213 G HN 0.296 nan 8.290 nan 0.000 0.519 214 L N -0.741 120.300 121.223 -0.303 0.000 2.388 214 L HA 0.642 4.983 4.340 0.002 0.000 0.264 214 L C -1.438 175.204 176.870 -0.381 0.000 0.998 214 L CA -0.644 54.064 54.840 -0.219 0.000 0.817 214 L CB 2.506 44.512 42.059 -0.088 0.000 1.338 214 L HN 0.359 nan 8.230 nan 0.000 0.414 215 F N 1.148 121.074 119.950 -0.041 0.000 2.532 215 F HA 0.883 5.412 4.527 0.002 0.000 0.321 215 F C 0.319 176.106 175.800 -0.023 0.000 1.089 215 F CA -0.358 57.621 58.000 -0.035 0.000 0.926 215 F CB 2.214 41.199 39.000 -0.025 0.000 1.168 215 F HN 0.582 nan 8.300 nan 0.000 0.459 216 A N 2.545 125.479 122.820 0.190 0.000 2.511 216 A HA 0.666 4.988 4.320 0.002 0.000 0.293 216 A C -0.317 177.332 177.584 0.108 0.000 1.098 216 A CA -0.900 51.204 52.037 0.110 0.000 0.643 216 A CB 1.309 20.352 19.000 0.071 0.000 1.302 216 A HN 0.756 nan 8.150 nan 0.000 0.446 217 R N -0.121 120.429 120.500 0.083 0.000 2.437 217 R HA 0.260 4.602 4.340 0.002 0.000 0.257 217 R C 0.096 176.575 176.300 0.299 0.000 0.927 217 R CA 0.923 57.108 56.100 0.142 0.000 1.078 217 R CB 0.628 30.876 30.300 -0.086 0.000 1.161 217 R HN 0.806 nan 8.270 nan 0.000 0.529 218 S N -1.756 114.070 115.700 0.210 0.000 2.569 218 S HA 0.241 4.712 4.470 0.002 0.000 0.280 218 S C 0.844 175.560 174.600 0.193 0.000 1.111 218 S CA -0.919 57.404 58.200 0.205 0.000 0.887 218 S CB 2.215 65.464 63.200 0.082 0.000 1.095 218 S HN -0.178 nan 8.310 nan 0.000 0.476 219 V N 2.368 122.401 119.914 0.198 0.000 2.515 219 V HA -0.167 3.955 4.120 0.002 0.000 0.250 219 V C 2.876 179.032 176.094 0.103 0.000 1.058 219 V CA 2.167 64.557 62.300 0.150 0.000 1.064 219 V CB -1.266 30.648 31.823 0.152 0.000 0.675 219 V HN 0.975 nan 8.190 nan 0.000 0.461 220 R N 0.394 120.953 120.500 0.099 0.000 2.115 220 R HA -0.160 4.181 4.340 0.002 0.000 0.230 220 R C 1.685 178.064 176.300 0.131 0.000 1.111 220 R CA 1.943 58.107 56.100 0.107 0.000 0.976 220 R CB -0.666 29.692 30.300 0.095 0.000 0.870 220 R HN 0.345 nan 8.270 nan 0.000 0.445 221 D N 1.046 121.519 120.400 0.122 0.000 2.144 221 D HA -0.069 4.572 4.640 0.002 0.000 0.199 221 D C 1.941 178.274 176.300 0.054 0.000 0.984 221 D CA 0.906 54.973 54.000 0.112 0.000 0.834 221 D CB 0.013 40.864 40.800 0.086 0.000 0.955 221 D HN 0.172 nan 8.370 nan 0.000 0.465 222 I N 0.912 121.507 120.570 0.042 0.000 2.202 222 I HA -0.180 3.991 4.170 0.002 0.000 0.242 222 I C 2.419 178.531 176.117 -0.008 0.000 1.091 222 I CA 0.746 62.041 61.300 -0.008 0.000 1.368 222 I CB -1.295 36.690 38.000 -0.024 0.000 1.058 222 I HN -0.097 nan 8.210 nan 0.000 0.410 223 A N 1.081 123.924 122.820 0.040 0.000 1.883 223 A HA -0.179 4.143 4.320 0.002 0.000 0.217 223 A C 2.572 180.246 177.584 0.149 0.000 1.186 223 A CA 2.311 54.402 52.037 0.090 0.000 0.624 223 A CB -0.854 18.232 19.000 0.142 0.000 0.822 223 A HN 0.427 nan 8.150 nan 0.000 0.444 224 A N -0.540 122.381 122.820 0.168 0.000 1.930 224 A HA 0.007 4.328 4.320 0.002 0.000 0.217 224 A C 2.177 179.849 177.584 0.146 0.000 1.175 224 A CA 1.428 53.611 52.037 0.243 0.000 0.627 224 A CB -0.557 18.718 19.000 0.458 0.000 0.815 224 A HN 0.476 nan 8.150 nan 0.000 0.443 225 L N -0.706 120.525 121.223 0.014 0.000 2.046 225 L HA -0.171 4.170 4.340 0.002 0.000 0.208 225 L C 2.569 179.408 176.870 -0.051 0.000 1.077 225 L CA 0.999 55.782 54.840 -0.094 0.000 0.747 225 L CB -0.511 41.459 42.059 -0.149 0.000 0.896 225 L HN 0.377 nan 8.230 nan 0.000 0.432 226 L N -0.383 120.833 121.223 -0.012 0.000 2.042 226 L HA -0.265 4.076 4.340 0.002 0.000 0.210 226 L C 2.174 179.113 176.870 0.115 0.000 1.076 226 L CA 1.203 56.049 54.840 0.009 0.000 0.749 226 L CB -0.611 41.381 42.059 -0.111 0.000 0.893 226 L HN 0.323 nan 8.230 nan 0.000 0.432 227 D N -0.704 119.803 120.400 0.178 0.000 2.263 227 D HA -0.130 4.512 4.640 0.002 0.000 0.208 227 D C 2.165 178.517 176.300 0.086 0.000 0.971 227 D CA 0.959 55.056 54.000 0.161 0.000 0.867 227 D CB 0.102 41.000 40.800 0.163 0.000 0.929 227 D HN 0.187 nan 8.370 nan 0.000 0.492 228 V N 0.475 120.417 119.914 0.048 0.000 2.500 228 V HA -0.098 4.023 4.120 0.002 0.000 0.243 228 V C 2.271 178.304 176.094 -0.101 0.000 1.039 228 V CA 1.254 63.551 62.300 -0.006 0.000 1.053 228 V CB 0.093 31.911 31.823 -0.007 0.000 0.695 228 V HN 0.172 nan 8.190 nan 0.000 0.463 229 V N -3.049 116.765 119.914 -0.166 0.000 3.621 229 V HA 0.352 4.473 4.120 0.002 0.000 0.285 229 V C 0.735 176.798 176.094 -0.050 0.000 1.346 229 V CA -0.141 62.025 62.300 -0.222 0.000 1.104 229 V CB 0.000 31.500 31.823 -0.539 0.000 0.913 229 V HN 0.311 nan 8.190 nan 0.000 0.432 230 S N 0.799 116.503 115.700 0.007 0.000 2.669 230 S HA 0.800 5.271 4.470 0.002 0.000 0.270 230 S C 0.417 175.048 174.600 0.051 0.000 1.225 230 S CA 0.387 58.623 58.200 0.059 0.000 0.991 230 S CB 1.029 64.295 63.200 0.111 0.000 0.987 230 S HN 1.616 nan 8.310 nan 0.000 0.552 231 G N 0.590 109.433 108.800 0.072 0.000 2.525 231 G HA2 0.031 3.992 3.960 0.002 0.000 0.685 231 G HA3 0.031 3.992 3.960 0.002 0.000 0.685 231 G C -1.096 173.850 174.900 0.077 0.000 1.285 231 G CA -1.029 44.112 45.100 0.068 0.000 0.849 231 G HN 0.929 nan 8.290 nan 0.000 0.653 232 H N 1.769 120.843 119.070 0.008 0.000 2.803 232 H HA 0.679 5.236 4.556 0.002 0.000 0.330 232 H C 0.646 175.946 175.328 -0.046 0.000 1.057 232 H CA 0.222 56.273 56.048 0.004 0.000 1.458 232 H CB 0.526 30.294 29.762 0.010 0.000 1.470 232 H HN 0.518 nan 8.280 nan 0.000 0.560 233 R N 4.615 124.757 120.500 -0.597 0.000 2.832 233 R HA 0.335 4.677 4.340 0.002 0.000 0.271 233 R C -2.698 173.252 176.300 -0.583 0.000 0.996 233 R CA -2.992 52.785 56.100 -0.538 0.000 0.977 233 R CB 0.324 30.288 30.300 -0.561 0.000 1.168 233 R HN 0.626 nan 8.270 nan 0.000 0.482 234 P HA 0.020 nan 4.420 nan 0.000 0.261 234 P C 0.682 177.974 177.300 -0.014 0.000 1.183 234 P CA 1.283 64.328 63.100 -0.093 0.000 0.761 234 P CB 0.299 32.004 31.700 0.008 0.000 0.785 235 G N 2.553 111.354 108.800 0.002 0.000 2.253 235 G HA2 -0.222 3.740 3.960 0.002 0.000 0.251 235 G HA3 -0.222 3.740 3.960 0.002 0.000 0.251 235 G C 0.010 174.924 174.900 0.024 0.000 0.998 235 G CA -0.280 44.839 45.100 0.032 0.000 0.621 235 G HN 0.500 nan 8.290 nan 0.000 0.524 236 D N 1.189 121.567 120.400 -0.035 0.000 2.531 236 D HA 0.341 4.982 4.640 0.002 0.000 0.239 236 D C 1.681 178.026 176.300 0.074 0.000 1.144 236 D CA 0.980 54.993 54.000 0.022 0.000 0.869 236 D CB 1.028 41.801 40.800 -0.045 0.000 1.160 236 D HN 0.230 nan 8.370 nan 0.000 0.484 237 T N 2.266 116.793 114.554 -0.044 0.000 2.770 237 T HA -0.061 4.290 4.350 0.002 0.000 0.263 237 T C 0.759 175.185 174.700 -0.457 0.000 1.039 237 T CA 0.852 62.752 62.100 -0.333 0.000 1.142 237 T CB -0.053 68.428 68.868 -0.644 0.000 0.868 237 T HN 0.266 nan 8.240 nan 0.000 0.435 238 F N -0.172 119.838 119.950 0.099 0.000 2.450 238 F HA 0.627 5.155 4.527 0.002 0.000 0.328 238 F C 0.313 176.193 175.800 0.133 0.000 1.068 238 F CA -1.440 56.617 58.000 0.095 0.000 1.007 238 F CB 0.907 39.941 39.000 0.058 0.000 1.251 238 F HN 0.026 nan 8.300 nan 0.000 0.492 239 C N 0.960 120.449 119.300 0.316 0.000 3.086 239 C HA 0.894 5.356 4.460 0.002 0.000 0.311 239 C C -0.822 174.298 174.990 0.217 0.000 1.260 239 C CA -0.431 58.722 59.018 0.226 0.000 1.426 239 C CB 0.630 28.443 27.740 0.121 0.000 1.826 239 C HN 1.060 nan 8.230 nan 0.000 0.474 240 A N 4.016 126.926 122.820 0.149 0.000 2.354 240 A HA 0.911 5.232 4.320 0.002 0.000 0.321 240 A C -2.800 174.851 177.584 0.112 0.000 1.125 240 A CA -1.110 50.991 52.037 0.106 0.000 0.799 240 A CB 0.518 19.510 19.000 -0.013 0.000 1.293 240 A HN 0.723 nan 8.150 nan 0.000 0.452 241 P HA 0.222 nan 4.420 nan 0.000 0.266 241 P C -0.322 177.023 177.300 0.076 0.000 1.195 241 P CA 0.363 63.524 63.100 0.103 0.000 0.768 241 P CB 0.395 32.168 31.700 0.121 0.000 0.838 242 T N 1.841 116.428 114.554 0.053 0.000 2.869 242 T HA 0.469 4.820 4.350 0.002 0.000 0.295 242 T C 0.347 175.051 174.700 0.008 0.000 0.987 242 T CA -0.353 61.767 62.100 0.032 0.000 1.109 242 T CB 0.715 69.591 68.868 0.014 0.000 0.932 242 T HN 0.432 nan 8.240 nan 0.000 0.518 243 A N 2.207 125.006 122.820 -0.035 0.000 2.322 243 A HA 0.486 4.807 4.320 0.002 0.000 0.269 243 A C 1.545 179.059 177.584 -0.117 0.000 1.094 243 A CA -0.389 51.581 52.037 -0.111 0.000 0.807 243 A CB 0.243 19.027 19.000 -0.360 0.000 1.047 243 A HN 0.912 nan 8.150 nan 0.000 0.487 244 S N 0.671 116.311 115.700 -0.100 0.000 2.436 244 S HA 0.025 4.496 4.470 0.002 0.000 0.228 244 S C 0.804 175.346 174.600 -0.097 0.000 1.014 244 S CA 0.816 58.971 58.200 -0.076 0.000 0.950 244 S CB -0.288 62.884 63.200 -0.047 0.000 0.784 244 S HN 0.941 nan 8.310 nan 0.000 0.504 245 R N 0.103 120.514 120.500 -0.149 0.000 2.817 245 R HA 0.687 5.028 4.340 0.002 0.000 0.268 245 R C -3.627 172.529 176.300 -0.241 0.000 1.027 245 R CA -2.230 53.784 56.100 -0.143 0.000 0.928 245 R CB -0.246 29.998 30.300 -0.092 0.000 1.228 245 R HN -0.098 nan 8.270 nan 0.000 0.469 246 P HA 0.040 nan 4.420 nan 0.000 0.268 246 P C -0.322 176.879 177.300 -0.165 0.000 1.205 246 P CA -0.157 62.843 63.100 -0.167 0.000 0.771 246 P CB 0.175 31.848 31.700 -0.045 0.000 0.858 247 Y N 1.704 122.020 120.300 0.027 0.000 2.274 247 Y HA -0.183 4.368 4.550 0.002 0.000 0.290 247 Y C 2.490 178.413 175.900 0.039 0.000 1.145 247 Y CA 1.704 59.822 58.100 0.029 0.000 1.203 247 Y CB -1.374 37.102 38.460 0.026 0.000 0.984 247 Y HN 0.392 nan 8.280 nan 0.000 0.533 248 A N -0.302 122.628 122.820 0.182 0.000 2.024 248 A HA -0.243 4.078 4.320 0.002 0.000 0.220 248 A C 2.061 179.696 177.584 0.085 0.000 1.164 248 A CA 1.829 53.947 52.037 0.135 0.000 0.643 248 A CB -0.462 18.612 19.000 0.124 0.000 0.806 248 A HN 0.564 nan 8.150 nan 0.000 0.451 249 Q N -1.450 118.383 119.800 0.056 0.000 2.134 249 Q HA 0.033 4.375 4.340 0.002 0.000 0.195 249 Q C 2.232 178.252 176.000 0.034 0.000 0.958 249 Q CA 0.751 56.571 55.803 0.028 0.000 0.840 249 Q CB -0.282 28.456 28.738 -0.001 0.000 0.918 249 Q HN 0.628 nan 8.270 nan 0.000 0.467 250 G N 1.363 110.184 108.800 0.034 0.000 2.509 250 G HA2 -0.210 3.751 3.960 0.002 0.000 0.218 250 G HA3 -0.210 3.751 3.960 0.002 0.000 0.218 250 G C 1.369 176.317 174.900 0.079 0.000 1.124 250 G CA 0.107 45.234 45.100 0.046 0.000 0.776 250 G HN 0.343 nan 8.290 nan 0.000 0.547 251 I N 1.657 122.288 120.570 0.101 0.000 2.423 251 I HA -0.206 3.966 4.170 0.002 0.000 0.254 251 I C 2.440 178.601 176.117 0.073 0.000 1.151 251 I CA 1.751 63.110 61.300 0.099 0.000 1.421 251 I CB 0.124 38.185 38.000 0.103 0.000 1.079 251 I HN 0.286 nan 8.210 nan 0.000 0.431 252 S N -1.055 114.680 115.700 0.058 0.000 2.575 252 S HA 0.169 4.640 4.470 0.002 0.000 0.215 252 S C 0.568 175.192 174.600 0.041 0.000 0.966 252 S CA -0.523 57.704 58.200 0.045 0.000 0.911 252 S CB -0.265 62.956 63.200 0.034 0.000 0.780 252 S HN 0.438 nan 8.310 nan 0.000 0.514 253 E N 2.622 122.849 120.200 0.045 0.000 2.383 253 E HA 0.145 4.497 4.350 0.002 0.000 0.264 253 E C -0.397 176.232 176.600 0.048 0.000 1.050 253 E CA -0.386 56.037 56.400 0.040 0.000 0.896 253 E CB 0.344 30.067 29.700 0.038 0.000 0.982 253 E HN 0.211 nan 8.360 nan 0.000 0.424 254 N N 3.715 122.439 118.700 0.039 0.000 2.406 254 N HA 0.073 4.814 4.740 0.002 0.000 0.251 254 N C -1.634 173.907 175.510 0.051 0.000 1.069 254 N CA -1.559 51.517 53.050 0.043 0.000 0.947 254 N CB 0.973 39.473 38.487 0.023 0.000 1.111 254 N HN 0.322 nan 8.380 nan 0.000 0.497 255 P HA 0.088 nan 4.420 nan 0.000 0.226 255 P C 0.669 178.021 177.300 0.086 0.000 1.153 255 P CA 0.556 63.713 63.100 0.094 0.000 0.777 255 P CB 0.209 31.991 31.700 0.136 0.000 0.794 256 G N 0.124 108.961 108.800 0.060 0.000 2.681 256 G HA2 -0.196 3.765 3.960 0.002 0.000 0.220 256 G HA3 -0.196 3.765 3.960 0.002 0.000 0.220 256 G C -0.551 174.355 174.900 0.009 0.000 1.353 256 G CA -0.190 44.917 45.100 0.012 0.000 0.872 256 G HN 0.370 nan 8.290 nan 0.000 0.557 257 S N -0.243 115.442 115.700 -0.024 0.000 2.455 257 S HA 0.585 5.056 4.470 0.002 0.000 0.278 257 S C 0.553 175.240 174.600 0.144 0.000 1.216 257 S CA -0.379 57.823 58.200 0.003 0.000 1.055 257 S CB -0.455 62.722 63.200 -0.038 0.000 0.939 257 S HN 0.680 nan 8.310 nan 0.000 0.494 258 L N 4.590 126.036 121.223 0.372 0.000 2.334 258 L HA 0.612 4.953 4.340 0.002 0.000 0.270 258 L C 0.618 177.550 176.870 0.104 0.000 1.018 258 L CA -1.247 53.702 54.840 0.182 0.000 0.811 258 L CB 0.861 43.001 42.059 0.135 0.000 1.271 258 L HN 0.392 nan 8.230 nan 0.000 0.443 259 R N 1.689 122.186 120.500 -0.004 0.000 2.242 259 R HA 0.353 4.695 4.340 0.002 0.000 0.334 259 R C -1.006 175.380 176.300 0.143 0.000 1.071 259 R CA -0.294 55.767 56.100 -0.065 0.000 0.922 259 R CB 0.682 30.748 30.300 -0.390 0.000 1.023 259 R HN 0.275 nan 8.270 nan 0.000 0.458 260 V N 2.141 122.205 119.914 0.251 0.000 2.459 260 V HA 0.545 4.666 4.120 0.002 0.000 0.295 260 V C 0.702 177.033 176.094 0.394 0.000 1.029 260 V CA -0.934 61.533 62.300 0.278 0.000 0.874 260 V CB 2.024 33.928 31.823 0.135 0.000 0.985 260 V HN 0.827 nan 8.190 nan 0.000 0.438 261 G N 3.096 112.092 108.800 0.326 0.000 2.379 261 G HA2 0.630 4.592 3.960 0.002 0.000 0.327 261 G HA3 0.630 4.592 3.960 0.002 0.000 0.327 261 G C -1.094 173.841 174.900 0.058 0.000 1.145 261 G CA -0.456 44.720 45.100 0.127 0.000 0.905 261 G HN 0.557 nan 8.290 nan 0.000 0.466 262 V N 2.527 122.460 119.914 0.031 0.000 2.459 262 V HA 0.513 4.634 4.120 0.002 0.000 0.295 262 V C -0.557 175.530 176.094 -0.011 0.000 1.029 262 V CA -0.864 61.445 62.300 0.016 0.000 0.874 262 V CB 1.531 33.386 31.823 0.054 0.000 0.985 262 V HN 0.648 nan 8.190 nan 0.000 0.438 263 L N 5.028 126.206 121.223 -0.076 0.000 2.319 263 L HA 0.689 5.031 4.340 0.002 0.000 0.281 263 L C 0.625 177.458 176.870 -0.061 0.000 1.005 263 L CA 0.388 55.131 54.840 -0.161 0.000 0.828 263 L CB 1.819 43.620 42.059 -0.431 0.000 1.227 263 L HN 0.804 nan 8.230 nan 0.000 0.415 264 T N 0.448 115.030 114.554 0.046 0.000 3.380 264 T HA 0.423 4.774 4.350 0.002 0.000 0.289 264 T C -0.053 174.753 174.700 0.177 0.000 1.012 264 T CA -0.206 61.959 62.100 0.109 0.000 0.944 264 T CB -0.707 68.218 68.868 0.095 0.000 1.172 264 T HN 0.770 nan 8.240 nan 0.000 0.502 265 H N -0.911 118.158 119.070 -0.001 0.000 2.990 265 H HA 0.523 5.080 4.556 0.002 0.000 0.336 265 H C -1.850 173.495 175.328 0.027 0.000 1.306 265 H CA -0.833 55.214 56.048 -0.001 0.000 1.118 265 H CB 1.066 30.795 29.762 -0.055 0.000 1.856 265 H HN 0.044 nan 8.280 nan 0.000 0.538 266 N N 2.628 121.263 118.700 -0.108 0.000 2.469 266 N HA 0.151 4.893 4.740 0.002 0.000 0.239 266 N C -1.594 173.684 175.510 -0.387 0.000 1.053 266 N CA -2.310 50.614 53.050 -0.210 0.000 0.937 266 N CB 0.938 39.148 38.487 -0.461 0.000 1.163 266 N HN 0.358 nan 8.380 nan 0.000 0.509 267 P HA -0.127 nan 4.420 nan 0.000 0.225 267 P C 0.972 178.169 177.300 -0.171 0.000 1.148 267 P CA 0.697 63.535 63.100 -0.436 0.000 0.779 267 P CB 0.470 31.781 31.700 -0.647 0.000 0.780 268 V N -0.340 119.447 119.914 -0.211 0.000 2.719 268 V HA 0.065 4.186 4.120 0.002 0.000 0.252 268 V C 2.043 178.043 176.094 -0.156 0.000 1.065 268 V CA 1.592 63.797 62.300 -0.160 0.000 1.086 268 V CB -1.664 30.049 31.823 -0.184 0.000 0.700 268 V HN 0.322 nan 8.190 nan 0.000 0.467 269 G N 1.602 110.273 108.800 -0.215 0.000 2.148 269 G HA2 -0.277 3.684 3.960 0.002 0.000 0.254 269 G HA3 -0.277 3.684 3.960 0.002 0.000 0.254 269 G C 0.395 175.199 174.900 -0.160 0.000 0.981 269 G CA 0.585 45.593 45.100 -0.153 0.000 0.670 269 G HN 0.695 nan 8.290 nan 0.000 0.528 270 D N -0.513 119.739 120.400 -0.246 0.000 2.340 270 D HA 0.397 5.038 4.640 0.002 0.000 0.217 270 D C 0.598 176.913 176.300 0.025 0.000 1.081 270 D CA 0.468 54.408 54.000 -0.099 0.000 0.842 270 D CB -0.342 40.438 40.800 -0.035 0.000 0.934 270 D HN 1.014 nan 8.370 nan 0.000 0.511 271 F N -1.838 118.100 119.950 -0.021 0.000 2.746 271 F HA 0.635 5.163 4.527 0.002 0.000 0.311 271 F C -1.834 173.948 175.800 -0.029 0.000 1.135 271 F CA -2.133 55.848 58.000 -0.032 0.000 0.954 271 F CB 0.600 39.569 39.000 -0.052 0.000 1.276 271 F HN -0.062 nan 8.300 nan 0.000 0.440 272 A N 2.807 125.779 122.820 0.253 0.000 2.328 272 A HA 0.605 4.927 4.320 0.002 0.000 0.284 272 A C -0.703 177.016 177.584 0.225 0.000 1.160 272 A CA -0.604 51.523 52.037 0.149 0.000 0.818 272 A CB 0.558 19.611 19.000 0.089 0.000 1.087 272 A HN 1.140 nan 8.150 nan 0.000 0.504 273 L N 2.274 123.579 121.223 0.136 0.000 2.455 273 L HA 0.186 4.528 4.340 0.002 0.000 0.272 273 L C 0.300 177.198 176.870 0.047 0.000 1.174 273 L CA 0.082 54.978 54.840 0.094 0.000 0.869 273 L CB 0.196 42.295 42.059 0.066 0.000 1.130 273 L HN 0.774 nan 8.230 nan 0.000 0.474 274 D N 6.184 126.584 120.400 -0.001 0.000 2.531 274 D HA 0.028 4.670 4.640 0.002 0.000 0.239 274 D C -1.713 174.588 176.300 0.001 0.000 1.144 274 D CA -0.637 53.355 54.000 -0.013 0.000 0.869 274 D CB 1.116 41.888 40.800 -0.048 0.000 1.160 274 D HN 0.479 nan 8.370 nan 0.000 0.484 275 P HA -0.164 nan 4.420 nan 0.000 0.216 275 P C 0.600 177.906 177.300 0.011 0.000 1.150 275 P CA 1.217 64.326 63.100 0.016 0.000 0.837 275 P CB 0.130 31.838 31.700 0.015 0.000 0.786 276 E N -1.252 118.948 120.200 -0.001 0.000 2.107 276 E HA -0.124 4.227 4.350 0.002 0.000 0.191 276 E C 1.981 178.576 176.600 -0.008 0.000 0.982 276 E CA 0.982 57.379 56.400 -0.005 0.000 0.809 276 E CB -0.682 29.009 29.700 -0.015 0.000 0.756 276 E HN 0.262 nan 8.360 nan 0.000 0.459 277 C N 1.000 120.290 119.300 -0.016 0.000 2.453 277 C HA -0.069 4.392 4.460 0.002 0.000 0.277 277 C C 2.976 177.976 174.990 0.017 0.000 1.262 277 C CA 0.882 59.890 59.018 -0.017 0.000 1.718 277 C CB -0.922 26.791 27.740 -0.046 0.000 2.031 277 C HN 0.520 nan 8.230 nan 0.000 0.480 278 A N 0.598 123.436 122.820 0.031 0.000 1.902 278 A HA 0.019 4.340 4.320 0.002 0.000 0.217 278 A C 2.353 179.966 177.584 0.047 0.000 1.181 278 A CA 2.143 54.215 52.037 0.058 0.000 0.623 278 A CB -0.916 18.123 19.000 0.065 0.000 0.818 278 A HN 0.590 nan 8.150 nan 0.000 0.443 279 A N -0.337 122.503 122.820 0.034 0.000 1.972 279 A HA 0.197 4.519 4.320 0.002 0.000 0.219 279 A C 2.438 180.041 177.584 0.031 0.000 1.169 279 A CA 1.913 53.969 52.037 0.032 0.000 0.635 279 A CB -0.833 18.182 19.000 0.025 0.000 0.810 279 A HN 1.002 nan 8.150 nan 0.000 0.446 280 A N -0.085 122.749 122.820 0.024 0.000 1.898 280 A HA 0.204 4.526 4.320 0.002 0.000 0.216 280 A C 2.496 180.099 177.584 0.032 0.000 1.181 280 A CA 1.913 53.962 52.037 0.021 0.000 0.620 280 A CB -0.969 18.031 19.000 0.001 0.000 0.819 280 A HN 0.997 nan 8.150 nan 0.000 0.442 281 A N -0.279 122.563 122.820 0.037 0.000 1.898 281 A HA -0.117 4.204 4.320 0.002 0.000 0.216 281 A C 2.171 179.784 177.584 0.047 0.000 1.181 281 A CA 2.049 54.112 52.037 0.043 0.000 0.620 281 A CB -0.427 18.606 19.000 0.056 0.000 0.819 281 A HN 0.444 nan 8.150 nan 0.000 0.442 282 R N 0.200 120.729 120.500 0.049 0.000 2.081 282 R HA -0.066 4.275 4.340 0.002 0.000 0.235 282 R C 2.127 178.458 176.300 0.052 0.000 1.131 282 R CA 2.049 58.179 56.100 0.051 0.000 0.960 282 R CB -1.377 28.953 30.300 0.049 0.000 0.856 282 R HN 0.374 nan 8.270 nan 0.000 0.436 283 G N -0.470 108.359 108.800 0.050 0.000 2.418 283 G HA2 -0.228 3.734 3.960 0.002 0.000 0.217 283 G HA3 -0.228 3.734 3.960 0.002 0.000 0.217 283 G C 1.559 176.496 174.900 0.063 0.000 1.158 283 G CA 0.859 45.991 45.100 0.054 0.000 0.771 283 G HN 0.501 nan 8.290 nan 0.000 0.545 284 A N 1.135 123.993 122.820 0.062 0.000 1.898 284 A HA 0.304 4.626 4.320 0.002 0.000 0.216 284 A C 2.809 180.436 177.584 0.071 0.000 1.181 284 A CA 2.145 54.224 52.037 0.070 0.000 0.620 284 A CB -0.740 18.296 19.000 0.060 0.000 0.819 284 A HN 0.757 nan 8.150 nan 0.000 0.442 285 A N -0.068 122.791 122.820 0.065 0.000 1.902 285 A HA 0.156 4.477 4.320 0.002 0.000 0.217 285 A C 2.496 180.129 177.584 0.082 0.000 1.181 285 A CA 2.057 54.138 52.037 0.072 0.000 0.623 285 A CB -0.991 18.050 19.000 0.069 0.000 0.818 285 A HN 1.042 nan 8.150 nan 0.000 0.443 286 A N -0.101 122.763 122.820 0.073 0.000 1.902 286 A HA 0.141 4.463 4.320 0.002 0.000 0.217 286 A C 2.502 180.133 177.584 0.078 0.000 1.181 286 A CA 2.124 54.204 52.037 0.071 0.000 0.623 286 A CB -1.009 18.027 19.000 0.060 0.000 0.818 286 A HN 1.070 nan 8.150 nan 0.000 0.443 287 A N -0.307 122.562 122.820 0.082 0.000 1.933 287 A HA -0.032 4.290 4.320 0.002 0.000 0.218 287 A C 2.155 179.807 177.584 0.114 0.000 1.175 287 A CA 1.468 53.559 52.037 0.089 0.000 0.628 287 A CB -0.568 18.487 19.000 0.091 0.000 0.814 287 A HN 0.478 nan 8.150 nan 0.000 0.444 288 L N -0.949 120.353 121.223 0.132 0.000 2.093 288 L HA -0.172 4.170 4.340 0.002 0.000 0.208 288 L C 3.082 180.084 176.870 0.219 0.000 1.085 288 L CA 0.949 55.916 54.840 0.210 0.000 0.755 288 L CB -0.560 41.584 42.059 0.142 0.000 0.904 288 L HN 0.452 nan 8.230 nan 0.000 0.435 289 A N 0.168 123.074 122.820 0.144 0.000 1.902 289 A HA -0.143 4.178 4.320 0.002 0.000 0.217 289 A C 2.511 180.142 177.584 0.078 0.000 1.181 289 A CA 1.615 53.720 52.037 0.114 0.000 0.623 289 A CB -0.623 18.431 19.000 0.090 0.000 0.818 289 A HN 0.386 nan 8.150 nan 0.000 0.443 290 A N -0.515 122.348 122.820 0.072 0.000 2.019 290 A HA 0.051 4.373 4.320 0.002 0.000 0.219 290 A C 1.953 179.558 177.584 0.034 0.000 1.164 290 A CA 1.242 53.308 52.037 0.048 0.000 0.644 290 A CB -0.499 18.531 19.000 0.050 0.000 0.805 290 A HN 0.470 nan 8.150 nan 0.000 0.449 291 L N -1.577 119.677 121.223 0.052 0.000 2.552 291 L HA 0.146 4.487 4.340 0.002 0.000 0.227 291 L C 1.712 178.517 176.870 -0.108 0.000 1.146 291 L CA 0.641 55.485 54.840 0.007 0.000 0.858 291 L CB -0.087 42.023 42.059 0.084 0.000 0.969 291 L HN 0.593 nan 8.230 nan 0.000 0.451 292 G N -1.663 107.090 108.800 -0.079 0.000 2.179 292 G HA2 -0.194 3.767 3.960 0.002 0.000 0.220 292 G HA3 -0.194 3.767 3.960 0.002 0.000 0.220 292 G C 0.228 175.038 174.900 -0.150 0.000 0.990 292 G CA -0.552 44.475 45.100 -0.122 0.000 0.646 292 G HN 0.323 nan 8.290 nan 0.000 0.517 293 H N 0.597 119.686 119.070 0.032 0.000 2.607 293 H HA 0.368 4.925 4.556 0.002 0.000 0.367 293 H C -0.385 174.965 175.328 0.036 0.000 1.181 293 H CA 0.331 56.400 56.048 0.035 0.000 1.402 293 H CB 1.309 31.103 29.762 0.053 0.000 1.474 293 H HN 0.171 nan 8.280 nan 0.000 0.596 294 D N 2.454 122.953 120.400 0.166 0.000 2.483 294 D HA 0.119 4.760 4.640 0.002 0.000 0.220 294 D C -0.762 175.623 176.300 0.142 0.000 1.173 294 D CA -0.285 53.773 54.000 0.097 0.000 0.964 294 D CB -0.352 40.462 40.800 0.022 0.000 1.046 294 D HN 0.095 nan 8.370 nan 0.000 0.517 295 V N 4.860 124.864 119.914 0.150 0.000 2.465 295 V HA 0.423 4.545 4.120 0.002 0.000 0.279 295 V C 0.406 176.604 176.094 0.173 0.000 1.045 295 V CA -0.654 61.748 62.300 0.169 0.000 0.938 295 V CB 1.226 33.133 31.823 0.140 0.000 0.986 295 V HN 0.483 nan 8.190 nan 0.000 0.467 296 N N 2.099 120.937 118.700 0.229 0.000 2.416 296 N HA 0.328 5.069 4.740 0.002 0.000 0.276 296 N C -1.634 173.975 175.510 0.165 0.000 1.261 296 N CA -0.787 52.395 53.050 0.221 0.000 0.790 296 N CB 2.251 40.950 38.487 0.353 0.000 1.554 296 N HN 0.516 nan 8.380 nan 0.000 0.481 297 D N 1.204 121.680 120.400 0.127 0.000 2.374 297 D HA 0.524 5.165 4.640 0.002 0.000 0.240 297 D C -0.429 175.913 176.300 0.070 0.000 1.229 297 D CA 0.379 54.438 54.000 0.098 0.000 0.895 297 D CB 0.485 41.342 40.800 0.095 0.000 1.046 297 D HN 0.582 nan 8.370 nan 0.000 0.498 298 A N 2.445 125.260 122.820 -0.008 0.000 2.608 298 A HA 0.722 5.044 4.320 0.002 0.000 0.292 298 A C -1.746 175.662 177.584 -0.295 0.000 1.066 298 A CA -0.987 50.934 52.037 -0.193 0.000 0.676 298 A CB 1.335 20.064 19.000 -0.451 0.000 1.277 298 A HN 0.452 nan 8.150 nan 0.000 0.413 299 Y N -2.580 117.324 120.300 -0.660 0.000 2.641 299 Y HA 0.712 5.263 4.550 0.002 0.000 0.333 299 Y C -3.363 171.699 175.900 -1.397 0.000 1.174 299 Y CA -2.579 54.792 58.100 -1.214 0.000 1.057 299 Y CB 0.542 38.568 38.460 -0.724 0.000 1.322 299 Y HN 0.411 nan 8.280 nan 0.000 0.457 300 P HA 0.089 nan 4.420 nan 0.000 0.267 300 P C 0.438 177.518 177.300 -0.366 0.000 1.209 300 P CA 0.297 62.848 63.100 -0.914 0.000 0.763 300 P CB 1.047 32.449 31.700 -0.497 0.000 0.816 301 E N 3.695 123.731 120.200 -0.273 0.000 2.209 301 E HA -0.244 4.107 4.350 0.002 0.000 0.196 301 E C 1.735 178.322 176.600 -0.021 0.000 0.993 301 E CA 1.270 57.583 56.400 -0.144 0.000 0.819 301 E CB -0.247 29.394 29.700 -0.099 0.000 0.745 301 E HN 0.511 nan 8.360 nan 0.000 0.477 302 A N 0.617 123.404 122.820 -0.055 0.000 2.070 302 A HA -0.137 4.184 4.320 0.002 0.000 0.220 302 A C 2.029 179.668 177.584 0.093 0.000 1.159 302 A CA 0.830 52.849 52.037 -0.030 0.000 0.656 302 A CB -0.499 18.330 19.000 -0.285 0.000 0.800 302 A HN 0.322 nan 8.150 nan 0.000 0.453 303 L N -0.847 120.390 121.223 0.023 0.000 2.456 303 L HA -0.087 4.255 4.340 0.002 0.000 0.224 303 L C 2.405 179.282 176.870 0.012 0.000 1.148 303 L CA 0.684 55.529 54.840 0.009 0.000 0.825 303 L CB -0.488 41.476 42.059 -0.158 0.000 0.937 303 L HN 0.503 nan 8.230 nan 0.000 0.450 304 G N -0.931 107.910 108.800 0.068 0.000 2.848 304 G HA2 -0.132 3.830 3.960 0.002 0.000 0.208 304 G HA3 -0.132 3.830 3.960 0.002 0.000 0.208 304 G C -0.063 174.863 174.900 0.042 0.000 1.152 304 G CA 0.010 45.136 45.100 0.042 0.000 0.789 304 G HN 0.294 nan 8.290 nan 0.000 0.531 305 D N -1.190 119.275 120.400 0.109 0.000 2.502 305 D HA 0.384 5.025 4.640 0.002 0.000 0.249 305 D C 0.463 176.803 176.300 0.066 0.000 1.092 305 D CA -0.824 53.234 54.000 0.097 0.000 0.839 305 D CB 1.253 42.152 40.800 0.166 0.000 1.264 305 D HN -0.064 nan 8.370 nan 0.000 0.511 306 R N 2.265 122.684 120.500 -0.135 0.000 2.629 306 R HA 0.101 4.442 4.340 0.002 0.000 0.386 306 R C 0.970 176.879 176.300 -0.651 0.000 1.071 306 R CA 0.237 56.045 56.100 -0.485 0.000 1.104 306 R CB 0.221 30.268 30.300 -0.421 0.000 1.370 306 R HN 0.522 nan 8.270 nan 0.000 0.574 307 S N 0.129 115.633 115.700 -0.327 0.000 2.442 307 S HA -0.187 4.285 4.470 0.002 0.000 0.236 307 S C 1.673 176.103 174.600 -0.283 0.000 1.007 307 S CA 0.861 58.917 58.200 -0.240 0.000 0.965 307 S CB -0.551 62.597 63.200 -0.087 0.000 0.773 307 S HN 0.512 nan 8.310 nan 0.000 0.504 308 F N 1.486 121.255 119.950 -0.300 0.000 2.269 308 F HA 0.166 4.694 4.527 0.002 0.000 0.301 308 F C 1.764 177.437 175.800 -0.211 0.000 1.082 308 F CA 0.276 58.098 58.000 -0.298 0.000 1.360 308 F CB -0.863 37.781 39.000 -0.594 0.000 1.041 308 F HN 0.209 nan 8.300 nan 0.000 0.512 309 L N 1.210 121.761 121.223 -1.120 0.000 2.187 309 L HA -0.154 4.187 4.340 0.002 0.000 0.213 309 L C 2.554 179.316 176.870 -0.179 0.000 1.100 309 L CA 1.693 56.111 54.840 -0.703 0.000 0.765 309 L CB -0.997 40.499 42.059 -0.938 0.000 0.904 309 L HN 0.357 nan 8.230 nan 0.000 0.437 310 K N -0.786 119.523 120.400 -0.151 0.000 2.025 310 K HA -0.179 4.143 4.320 0.002 0.000 0.207 310 K C 1.699 178.326 176.600 0.046 0.000 1.049 310 K CA 1.711 57.988 56.287 -0.017 0.000 0.933 310 K CB -0.146 32.332 32.500 -0.038 0.000 0.714 310 K HN 0.392 nan 8.250 nan 0.000 0.438 311 D N -0.217 120.213 120.400 0.049 0.000 2.117 311 D HA -0.197 4.444 4.640 0.002 0.000 0.197 311 D C 1.826 178.202 176.300 0.125 0.000 0.987 311 D CA 1.068 55.112 54.000 0.073 0.000 0.829 311 D CB -0.290 40.560 40.800 0.084 0.000 0.961 311 D HN 0.261 nan 8.370 nan 0.000 0.460 312 Y N 1.728 122.063 120.300 0.059 0.000 2.224 312 Y HA -0.211 4.341 4.550 0.002 0.000 0.289 312 Y C 2.601 178.612 175.900 0.186 0.000 1.146 312 Y CA 1.298 59.467 58.100 0.114 0.000 1.182 312 Y CB -0.491 38.059 38.460 0.150 0.000 0.983 312 Y HN -0.161 nan 8.280 nan 0.000 0.524 313 S N -1.230 114.607 115.700 0.228 0.000 2.368 313 S HA -0.193 4.279 4.470 0.002 0.000 0.225 313 S C 2.033 176.621 174.600 -0.019 0.000 1.030 313 S CA 1.978 60.268 58.200 0.151 0.000 0.999 313 S CB -0.641 62.707 63.200 0.246 0.000 0.844 313 S HN 0.633 nan 8.310 nan 0.000 0.459 314 T N 2.417 116.976 114.554 0.008 0.000 2.746 314 T HA 0.008 4.359 4.350 0.002 0.000 0.267 314 T C 1.698 176.397 174.700 -0.002 0.000 1.039 314 T CA 1.557 63.658 62.100 0.001 0.000 1.142 314 T CB -0.368 68.508 68.868 0.014 0.000 0.866 314 T HN 0.410 nan 8.240 nan 0.000 0.444 315 I N 0.641 121.171 120.570 -0.067 0.000 2.226 315 I HA -0.197 3.974 4.170 0.002 0.000 0.245 315 I C 2.641 178.745 176.117 -0.022 0.000 1.100 315 I CA 0.832 62.093 61.300 -0.065 0.000 1.374 315 I CB -0.465 37.423 38.000 -0.186 0.000 1.057 315 I HN 0.332 nan 8.210 nan 0.000 0.413 316 C N 0.649 119.838 119.300 -0.185 0.000 2.425 316 C HA -0.164 4.297 4.460 0.002 0.000 0.277 316 C C 2.444 177.360 174.990 -0.122 0.000 1.280 316 C CA 0.726 59.619 59.018 -0.209 0.000 1.744 316 C CB -1.039 26.490 27.740 -0.352 0.000 1.989 316 C HN 0.525 nan 8.230 nan 0.000 0.491 317 D N 0.636 120.977 120.400 -0.098 0.000 2.104 317 D HA -0.118 4.523 4.640 0.002 0.000 0.194 317 D C 2.176 178.444 176.300 -0.054 0.000 0.994 317 D CA 1.243 55.191 54.000 -0.087 0.000 0.830 317 D CB -0.548 40.212 40.800 -0.066 0.000 0.959 317 D HN 0.284 nan 8.370 nan 0.000 0.452 318 V N 1.464 121.389 119.914 0.018 0.000 2.343 318 V HA -0.238 3.883 4.120 0.002 0.000 0.247 318 V C 2.540 178.635 176.094 0.001 0.000 1.051 318 V CA 1.781 64.097 62.300 0.026 0.000 1.036 318 V CB -0.830 31.080 31.823 0.145 0.000 0.654 318 V HN 0.184 nan 8.190 nan 0.000 0.451 319 A N 0.153 122.995 122.820 0.037 0.000 1.883 319 A HA -0.179 4.142 4.320 0.002 0.000 0.217 319 A C 2.166 179.737 177.584 -0.023 0.000 1.186 319 A CA 1.898 53.946 52.037 0.019 0.000 0.624 319 A CB -0.490 18.527 19.000 0.028 0.000 0.822 319 A HN 0.400 nan 8.150 nan 0.000 0.444 320 I N -0.133 120.406 120.570 -0.052 0.000 2.202 320 I HA -0.218 3.954 4.170 0.002 0.000 0.242 320 I C 2.994 179.069 176.117 -0.071 0.000 1.091 320 I CA 1.376 62.638 61.300 -0.064 0.000 1.368 320 I CB -1.657 36.287 38.000 -0.093 0.000 1.058 320 I HN 0.373 nan 8.210 nan 0.000 0.410 321 A N 1.121 123.884 122.820 -0.096 0.000 1.892 321 A HA -0.235 4.086 4.320 0.002 0.000 0.218 321 A C 2.447 179.976 177.584 -0.092 0.000 1.188 321 A CA 1.718 53.680 52.037 -0.126 0.000 0.631 321 A CB -0.664 18.249 19.000 -0.146 0.000 0.822 321 A HN 0.368 nan 8.150 nan 0.000 0.447 322 R N -1.169 119.287 120.500 -0.073 0.000 2.148 322 R HA -0.076 4.265 4.340 0.002 0.000 0.223 322 R C 2.083 178.359 176.300 -0.040 0.000 1.088 322 R CA 1.196 57.260 56.100 -0.060 0.000 0.985 322 R CB -0.143 30.119 30.300 -0.063 0.000 0.880 322 R HN 0.580 nan 8.270 nan 0.000 0.451 323 E N 1.336 121.517 120.200 -0.031 0.000 2.107 323 E HA -0.065 4.286 4.350 0.002 0.000 0.191 323 E C 1.681 178.271 176.600 -0.017 0.000 0.982 323 E CA 0.951 57.340 56.400 -0.018 0.000 0.809 323 E CB -0.049 29.645 29.700 -0.010 0.000 0.756 323 E HN 0.248 nan 8.360 nan 0.000 0.459 324 I N 0.571 121.132 120.570 -0.016 0.000 2.394 324 I HA -0.206 3.965 4.170 0.002 0.000 0.251 324 I C 2.460 178.579 176.117 0.004 0.000 1.136 324 I CA 1.375 62.681 61.300 0.010 0.000 1.425 324 I CB -0.250 37.769 38.000 0.031 0.000 1.079 324 I HN 0.256 nan 8.210 nan 0.000 0.425 325 E N 1.428 121.617 120.200 -0.017 0.000 2.072 325 E HA -0.257 4.094 4.350 0.002 0.000 0.191 325 E C 2.410 178.992 176.600 -0.029 0.000 0.985 325 E CA 0.907 57.295 56.400 -0.020 0.000 0.801 325 E CB -0.021 29.658 29.700 -0.034 0.000 0.750 325 E HN 0.288 nan 8.360 nan 0.000 0.452 326 R N 0.313 120.793 120.500 -0.034 0.000 2.081 326 R HA -0.115 4.226 4.340 0.002 0.000 0.235 326 R C 2.105 178.363 176.300 -0.070 0.000 1.131 326 R CA 1.648 57.723 56.100 -0.042 0.000 0.960 326 R CB -0.145 30.137 30.300 -0.030 0.000 0.856 326 R HN 0.251 nan 8.270 nan 0.000 0.436 327 N N -0.398 118.261 118.700 -0.070 0.000 2.188 327 N HA -0.098 4.643 4.740 0.002 0.000 0.184 327 N C 1.693 177.129 175.510 -0.125 0.000 1.018 327 N CA 1.323 54.303 53.050 -0.117 0.000 0.858 327 N CB -0.191 38.254 38.487 -0.071 0.000 0.989 327 N HN 0.376 nan 8.380 nan 0.000 0.426 328 G N 1.492 110.253 108.800 -0.064 0.000 2.418 328 G HA2 -0.225 3.736 3.960 0.002 0.000 0.217 328 G HA3 -0.225 3.736 3.960 0.002 0.000 0.217 328 G C 1.373 176.235 174.900 -0.064 0.000 1.158 328 G CA 0.533 45.605 45.100 -0.047 0.000 0.771 328 G HN 0.384 nan 8.290 nan 0.000 0.545 329 E N 0.156 120.318 120.200 -0.063 0.000 2.153 329 E HA -0.046 4.306 4.350 0.002 0.000 0.194 329 E C 2.521 179.070 176.600 -0.085 0.000 0.988 329 E CA 0.346 56.712 56.400 -0.056 0.000 0.811 329 E CB -0.179 29.494 29.700 -0.044 0.000 0.746 329 E HN 0.406 nan 8.360 nan 0.000 0.466 330 L N 0.816 121.940 121.223 -0.164 0.000 2.083 330 L HA -0.148 4.194 4.340 0.002 0.000 0.209 330 L C 2.545 179.284 176.870 -0.219 0.000 1.083 330 L CA 1.083 55.751 54.840 -0.286 0.000 0.752 330 L CB -0.453 41.202 42.059 -0.674 0.000 0.899 330 L HN 0.274 nan 8.230 nan 0.000 0.433 331 I N -4.159 116.309 120.570 -0.170 0.000 3.860 331 I HA 0.345 4.517 4.170 0.002 0.000 0.319 331 I C 1.293 177.400 176.117 -0.016 0.000 1.279 331 I CA 0.626 61.892 61.300 -0.056 0.000 1.220 331 I CB 0.059 38.033 38.000 -0.044 0.000 1.027 331 I HN 0.238 nan 8.210 nan 0.000 0.428 332 G N 2.781 111.564 108.800 -0.027 0.000 2.132 332 G HA2 -0.259 3.703 3.960 0.002 0.000 0.234 332 G HA3 -0.259 3.703 3.960 0.002 0.000 0.234 332 G C 0.196 175.091 174.900 -0.008 0.000 0.989 332 G CA 0.193 45.287 45.100 -0.010 0.000 0.676 332 G HN 0.829 nan 8.290 nan 0.000 0.522 333 R N -1.188 119.304 120.500 -0.013 0.000 2.604 333 R HA 0.638 4.979 4.340 0.002 0.000 0.270 333 R C -3.428 172.871 176.300 -0.001 0.000 1.052 333 R CA -1.954 54.143 56.100 -0.005 0.000 0.902 333 R CB 1.295 31.592 30.300 -0.005 0.000 1.233 333 R HN 0.021 nan 8.270 nan 0.000 0.455 334 P HA 0.079 nan 4.420 nan 0.000 0.268 334 P C -0.514 176.812 177.300 0.043 0.000 1.204 334 P CA -0.192 62.928 63.100 0.032 0.000 0.768 334 P CB 0.558 32.285 31.700 0.045 0.000 0.842 335 L N 2.383 123.649 121.223 0.070 0.000 2.395 335 L HA 0.406 4.747 4.340 0.002 0.000 0.269 335 L C 1.263 178.207 176.870 0.124 0.000 1.133 335 L CA -0.054 54.832 54.840 0.077 0.000 0.812 335 L CB 0.680 42.797 42.059 0.096 0.000 1.125 335 L HN 0.467 nan 8.230 nan 0.000 0.452 336 T N -2.872 111.659 114.554 -0.038 0.000 2.905 336 T HA 0.180 4.531 4.350 0.002 0.000 0.283 336 T C 0.645 174.897 174.700 -0.745 0.000 1.031 336 T CA -0.784 61.126 62.100 -0.318 0.000 1.002 336 T CB 1.463 70.174 68.868 -0.261 0.000 1.200 336 T HN 0.678 nan 8.240 nan 0.000 0.560 337 E N -0.228 119.076 120.200 -1.494 0.000 2.396 337 E HA -0.174 4.178 4.350 0.002 0.000 0.200 337 E C 0.540 176.808 176.600 -0.553 0.000 1.023 337 E CA 1.107 56.640 56.400 -1.445 0.000 0.857 337 E CB -0.124 28.650 29.700 -1.543 0.000 0.775 337 E HN 0.548 nan 8.360 nan 0.000 0.525 338 D N 0.131 120.298 120.400 -0.388 0.000 2.360 338 D HA -0.035 4.606 4.640 0.002 0.000 0.210 338 D C 0.582 176.801 176.300 -0.135 0.000 1.047 338 D CA 0.215 54.090 54.000 -0.208 0.000 0.854 338 D CB 0.283 40.981 40.800 -0.170 0.000 0.936 338 D HN 0.232 nan 8.370 nan 0.000 0.514 339 D N 0.487 120.811 120.400 -0.128 0.000 2.355 339 D HA 0.009 4.651 4.640 0.002 0.000 0.206 339 D C 1.143 177.432 176.300 -0.020 0.000 1.010 339 D CA 0.347 54.311 54.000 -0.060 0.000 0.875 339 D CB 1.599 42.378 40.800 -0.035 0.000 0.966 339 D HN 0.133 nan 8.370 nan 0.000 0.512 340 V N -1.736 118.178 119.914 0.000 0.000 3.113 340 V HA 0.483 4.605 4.120 0.002 0.000 0.316 340 V C -0.083 176.043 176.094 0.054 0.000 1.125 340 V CA -1.082 61.248 62.300 0.050 0.000 1.026 340 V CB 2.277 34.179 31.823 0.131 0.000 1.080 340 V HN -0.231 nan 8.190 nan 0.000 0.444 341 E N 1.797 122.027 120.200 0.049 0.000 2.390 341 E HA 0.063 4.415 4.350 0.002 0.000 0.261 341 E C 0.803 177.458 176.600 0.090 0.000 1.076 341 E CA 0.245 56.678 56.400 0.056 0.000 0.905 341 E CB 0.759 30.445 29.700 -0.022 0.000 0.984 341 E HN 0.921 nan 8.360 nan 0.000 0.427 342 W N 2.690 124.018 121.300 0.046 0.000 2.342 342 W HA -0.237 4.424 4.660 0.002 0.000 0.297 342 W C 1.408 177.986 176.519 0.098 0.000 1.213 342 W CA 1.938 59.331 57.345 0.079 0.000 1.251 342 W CB -1.405 28.080 29.460 0.041 0.000 1.136 342 W HN 0.538 nan 8.180 nan 0.000 0.526 343 T N -0.502 113.445 114.554 -1.012 0.000 2.759 343 T HA -0.195 4.156 4.350 0.002 0.000 0.269 343 T C 1.933 176.410 174.700 -0.371 0.000 1.042 343 T CA 2.051 63.568 62.100 -0.971 0.000 1.140 343 T CB -0.906 67.367 68.868 -0.991 0.000 0.864 343 T HN 0.150 nan 8.240 nan 0.000 0.455 344 S N -0.160 115.419 115.700 -0.202 0.000 2.368 344 S HA -0.000 4.471 4.470 0.002 0.000 0.224 344 S C 1.510 176.121 174.600 0.018 0.000 1.029 344 S CA 0.737 58.891 58.200 -0.077 0.000 0.988 344 S CB -0.611 62.582 63.200 -0.012 0.000 0.838 344 S HN 0.668 nan 8.310 nan 0.000 0.462 345 W N 2.399 123.660 121.300 -0.065 0.000 2.402 345 W HA -0.123 4.538 4.660 0.002 0.000 0.286 345 W C 2.055 178.569 176.519 -0.009 0.000 1.221 345 W CA 1.598 58.934 57.345 -0.015 0.000 1.257 345 W CB -0.188 29.292 29.460 0.032 0.000 1.120 345 W HN 0.375 nan 8.180 nan 0.000 0.551 346 E N 0.484 120.730 120.200 0.078 0.000 2.085 346 E HA -0.275 4.076 4.350 0.002 0.000 0.194 346 E C 2.245 178.773 176.600 -0.120 0.000 0.994 346 E CA 2.417 58.824 56.400 0.011 0.000 0.801 346 E CB -0.635 29.083 29.700 0.031 0.000 0.743 346 E HN 0.223 nan 8.360 nan 0.000 0.453 347 M N -0.660 118.846 119.600 -0.156 0.000 2.296 347 M HA -0.127 4.355 4.480 0.002 0.000 0.265 347 M C 2.036 178.206 176.300 -0.216 0.000 1.064 347 M CA 0.667 55.865 55.300 -0.170 0.000 1.109 347 M CB 0.103 32.603 32.600 -0.167 0.000 1.396 347 M HN 0.049 nan 8.290 nan 0.000 0.430 348 V N 0.851 120.560 119.914 -0.343 0.000 2.343 348 V HA -0.269 3.853 4.120 0.002 0.000 0.247 348 V C 2.187 178.052 176.094 -0.382 0.000 1.051 348 V CA 1.812 63.833 62.300 -0.464 0.000 1.036 348 V CB -0.678 30.580 31.823 -0.942 0.000 0.654 348 V HN 0.473 nan 8.190 nan 0.000 0.451 349 K N -0.065 120.118 120.400 -0.362 0.000 2.025 349 K HA -0.122 4.200 4.320 0.002 0.000 0.207 349 K C 2.368 178.890 176.600 -0.130 0.000 1.049 349 K CA 1.290 57.450 56.287 -0.212 0.000 0.933 349 K CB -0.302 32.120 32.500 -0.130 0.000 0.714 349 K HN 0.352 nan 8.250 nan 0.000 0.438 350 R N 0.692 121.125 120.500 -0.113 0.000 2.096 350 R HA -0.089 4.252 4.340 0.002 0.000 0.235 350 R C 2.445 178.705 176.300 -0.066 0.000 1.127 350 R CA 1.222 57.279 56.100 -0.071 0.000 0.968 350 R CB -0.469 29.792 30.300 -0.064 0.000 0.861 350 R HN 0.224 nan 8.270 nan 0.000 0.440 351 A N 1.628 124.392 122.820 -0.093 0.000 1.940 351 A HA -0.189 4.133 4.320 0.002 0.000 0.219 351 A C 1.514 179.059 177.584 -0.065 0.000 1.176 351 A CA 1.689 53.682 52.037 -0.073 0.000 0.631 351 A CB -0.324 18.613 19.000 -0.105 0.000 0.814 351 A HN 0.195 nan 8.150 nan 0.000 0.446 352 D N -0.412 119.937 120.400 -0.085 0.000 2.310 352 D HA -0.087 4.554 4.640 0.002 0.000 0.212 352 D C 1.418 177.694 176.300 -0.039 0.000 0.965 352 D CA 0.785 54.745 54.000 -0.067 0.000 0.879 352 D CB -0.074 40.680 40.800 -0.077 0.000 0.921 352 D HN 0.437 nan 8.370 nan 0.000 0.510 353 Q N 0.079 119.861 119.800 -0.030 0.000 2.360 353 Q HA 0.095 4.437 4.340 0.002 0.000 0.202 353 Q C 0.290 176.293 176.000 0.004 0.000 0.915 353 Q CA 0.051 55.847 55.803 -0.012 0.000 0.943 353 Q CB 0.873 29.605 28.738 -0.010 0.000 1.064 353 Q HN 0.118 nan 8.270 nan 0.000 0.511 354 V N 2.718 122.638 119.914 0.010 0.000 2.432 354 V HA 0.202 4.323 4.120 0.002 0.000 0.275 354 V C 0.744 176.863 176.094 0.041 0.000 1.043 354 V CA -0.367 61.959 62.300 0.043 0.000 0.925 354 V CB 0.995 32.866 31.823 0.080 0.000 0.985 354 V HN 0.239 nan 8.190 nan 0.000 0.466 355 T N 2.058 116.645 114.554 0.054 0.000 2.881 355 T HA 0.444 4.795 4.350 0.002 0.000 0.278 355 T C 1.469 176.215 174.700 0.076 0.000 0.982 355 T CA 0.072 62.199 62.100 0.046 0.000 0.989 355 T CB 1.575 70.467 68.868 0.040 0.000 1.058 355 T HN 0.686 nan 8.240 nan 0.000 0.529 356 G N 0.231 109.062 108.800 0.051 0.000 2.421 356 G HA2 -0.169 3.793 3.960 0.002 0.000 0.216 356 G HA3 -0.169 3.793 3.960 0.002 0.000 0.216 356 G C 1.664 176.636 174.900 0.121 0.000 1.171 356 G CA 0.243 45.383 45.100 0.067 0.000 0.775 356 G HN 0.779 nan 8.290 nan 0.000 0.543 357 R N 0.541 121.093 120.500 0.087 0.000 2.096 357 R HA 0.028 4.369 4.340 0.002 0.000 0.235 357 R C 3.007 179.367 176.300 0.101 0.000 1.127 357 R CA 1.102 57.254 56.100 0.086 0.000 0.968 357 R CB -0.376 29.960 30.300 0.059 0.000 0.861 357 R HN 0.358 nan 8.270 nan 0.000 0.440 358 A N 0.909 123.791 122.820 0.103 0.000 1.877 358 A HA -0.190 4.132 4.320 0.002 0.000 0.216 358 A C 1.974 179.630 177.584 0.121 0.000 1.186 358 A CA 1.088 53.182 52.037 0.096 0.000 0.620 358 A CB -0.637 18.413 19.000 0.085 0.000 0.822 358 A HN 0.343 nan 8.150 nan 0.000 0.443 359 F N 0.949 120.914 119.950 0.026 0.000 2.095 359 F HA -0.111 4.418 4.527 0.002 0.000 0.298 359 F C 2.557 178.384 175.800 0.044 0.000 1.104 359 F CA 1.421 59.439 58.000 0.030 0.000 1.232 359 F CB -0.359 38.653 39.000 0.020 0.000 0.987 359 F HN 0.250 nan 8.300 nan 0.000 0.475 360 A N 0.236 123.196 122.820 0.234 0.000 1.933 360 A HA -0.093 4.228 4.320 0.002 0.000 0.218 360 A C 2.370 179.979 177.584 0.042 0.000 1.175 360 A CA 1.773 53.892 52.037 0.136 0.000 0.628 360 A CB -1.541 17.547 19.000 0.146 0.000 0.814 360 A HN 0.507 nan 8.150 nan 0.000 0.444 361 A N -1.048 121.801 122.820 0.048 0.000 1.898 361 A HA -0.151 4.170 4.320 0.002 0.000 0.216 361 A C 2.292 179.888 177.584 0.019 0.000 1.181 361 A CA 1.630 53.694 52.037 0.046 0.000 0.620 361 A CB -1.234 17.798 19.000 0.053 0.000 0.819 361 A HN 0.599 nan 8.150 nan 0.000 0.442 362 C N -1.258 118.017 119.300 -0.041 0.000 2.429 362 C HA -0.057 4.405 4.460 0.002 0.000 0.277 362 C C 2.733 177.679 174.990 -0.072 0.000 1.262 362 C CA 1.024 60.004 59.018 -0.063 0.000 1.733 362 C CB -1.226 26.431 27.740 -0.139 0.000 2.010 362 C HN 0.461 nan 8.230 nan 0.000 0.483 363 V N 1.184 121.004 119.914 -0.156 0.000 2.343 363 V HA -0.206 3.915 4.120 0.002 0.000 0.247 363 V C 2.109 178.196 176.094 -0.012 0.000 1.051 363 V CA 2.247 64.489 62.300 -0.097 0.000 1.036 363 V CB -0.704 31.057 31.823 -0.102 0.000 0.654 363 V HN 0.460 nan 8.190 nan 0.000 0.451 364 D N -0.372 120.033 120.400 0.009 0.000 2.149 364 D HA -0.140 4.501 4.640 0.002 0.000 0.198 364 D C 2.289 178.659 176.300 0.117 0.000 0.990 364 D CA 0.896 54.914 54.000 0.030 0.000 0.839 364 D CB -0.169 40.681 40.800 0.083 0.000 0.948 364 D HN 0.382 nan 8.370 nan 0.000 0.460 365 E N 0.329 120.615 120.200 0.142 0.000 2.110 365 E HA -0.100 4.251 4.350 0.002 0.000 0.193 365 E C 2.460 179.166 176.600 0.177 0.000 0.988 365 E CA 0.292 56.809 56.400 0.195 0.000 0.804 365 E CB -0.250 29.532 29.700 0.136 0.000 0.745 365 E HN 0.384 nan 8.360 nan 0.000 0.458 366 L N 0.598 121.881 121.223 0.100 0.000 2.046 366 L HA -0.160 4.181 4.340 0.002 0.000 0.208 366 L C 2.461 179.354 176.870 0.038 0.000 1.077 366 L CA 0.971 55.845 54.840 0.056 0.000 0.747 366 L CB -0.455 41.622 42.059 0.030 0.000 0.896 366 L HN 0.027 nan 8.230 nan 0.000 0.432 367 R N -0.427 120.073 120.500 -0.000 0.000 2.081 367 R HA -0.160 4.182 4.340 0.002 0.000 0.235 367 R C 2.117 178.378 176.300 -0.065 0.000 1.131 367 R CA 1.357 57.412 56.100 -0.075 0.000 0.960 367 R CB -1.131 29.073 30.300 -0.160 0.000 0.856 367 R HN 0.309 nan 8.270 nan 0.000 0.436 368 Y N -0.192 120.126 120.300 0.030 0.000 2.181 368 Y HA -0.225 4.327 4.550 0.002 0.000 0.288 368 Y C 2.329 178.248 175.900 0.031 0.000 1.146 368 Y CA 1.102 59.221 58.100 0.032 0.000 1.164 368 Y CB -0.753 37.739 38.460 0.052 0.000 0.982 368 Y HN 0.073 nan 8.280 nan 0.000 0.515 369 Y N -0.011 120.341 120.300 0.088 0.000 2.181 369 Y HA -0.196 4.355 4.550 0.002 0.000 0.288 369 Y C 2.430 178.272 175.900 -0.097 0.000 1.146 369 Y CA 1.191 59.269 58.100 -0.037 0.000 1.164 369 Y CB -0.718 37.639 38.460 -0.172 0.000 0.982 369 Y HN 0.047 nan 8.280 nan 0.000 0.515 370 A N 0.078 122.838 122.820 -0.101 0.000 1.917 370 A HA -0.175 4.147 4.320 0.002 0.000 0.219 370 A C 2.503 180.001 177.584 -0.143 0.000 1.182 370 A CA 1.916 53.855 52.037 -0.163 0.000 0.633 370 A CB -1.712 17.229 19.000 -0.097 0.000 0.819 370 A HN 0.592 nan 8.150 nan 0.000 0.448 371 G N -0.429 108.324 108.800 -0.078 0.000 2.418 371 G HA2 -0.223 3.738 3.960 0.002 0.000 0.217 371 G HA3 -0.223 3.738 3.960 0.002 0.000 0.217 371 G C 1.665 176.549 174.900 -0.026 0.000 1.158 371 G CA 1.041 46.123 45.100 -0.031 0.000 0.771 371 G HN 0.585 nan 8.290 nan 0.000 0.545 372 K N 0.016 120.369 120.400 -0.078 0.000 2.097 372 K HA -0.025 4.296 4.320 0.002 0.000 0.206 372 K C 2.568 179.104 176.600 -0.106 0.000 1.049 372 K CA 1.069 57.302 56.287 -0.091 0.000 0.933 372 K CB -0.299 32.115 32.500 -0.142 0.000 0.717 372 K HN 0.233 nan 8.250 nan 0.000 0.442 373 V N 1.952 121.719 119.914 -0.245 0.000 2.270 373 V HA -0.216 3.905 4.120 0.002 0.000 0.245 373 V C 1.970 178.231 176.094 0.279 0.000 1.043 373 V CA 1.749 64.000 62.300 -0.082 0.000 1.014 373 V CB -0.413 31.263 31.823 -0.245 0.000 0.645 373 V HN 0.331 nan 8.190 nan 0.000 0.447 374 E N -0.160 120.144 120.200 0.173 0.000 2.265 374 E HA -0.196 4.155 4.350 0.002 0.000 0.196 374 E C 2.355 179.187 176.600 0.387 0.000 0.996 374 E CA 0.672 57.243 56.400 0.284 0.000 0.832 374 E CB -0.189 29.556 29.700 0.076 0.000 0.756 374 E HN 0.532 nan 8.360 nan 0.000 0.491 375 R N -0.134 120.524 120.500 0.264 0.000 2.159 375 R HA -0.170 4.171 4.340 0.002 0.000 0.237 375 R C 1.878 178.362 176.300 0.307 0.000 1.131 375 R CA 1.145 57.381 56.100 0.227 0.000 0.982 375 R CB -0.271 30.115 30.300 0.143 0.000 0.868 375 R HN 0.313 nan 8.270 nan 0.000 0.453 376 W N 0.500 121.909 121.300 0.183 0.000 2.358 376 W HA -0.157 4.504 4.660 0.002 0.000 0.303 376 W C 1.631 178.223 176.519 0.122 0.000 1.208 376 W CA 0.991 58.368 57.345 0.053 0.000 1.274 376 W CB -0.224 29.098 29.460 -0.230 0.000 1.138 376 W HN 0.140 nan 8.180 nan 0.000 0.515 377 W N 0.295 121.738 121.300 0.238 0.000 2.436 377 W HA -0.106 4.556 4.660 0.002 0.000 0.284 377 W C 2.069 178.600 176.519 0.019 0.000 1.225 377 W CA 1.473 58.871 57.345 0.088 0.000 1.271 377 W CB -1.022 28.529 29.460 0.153 0.000 1.114 377 W HN -0.014 nan 8.180 nan 0.000 0.559 378 E N 0.964 121.327 120.200 0.272 0.000 2.153 378 E HA -0.150 4.202 4.350 0.002 0.000 0.194 378 E C 2.077 178.704 176.600 0.045 0.000 0.988 378 E CA 1.749 58.231 56.400 0.138 0.000 0.811 378 E CB -0.355 29.421 29.700 0.127 0.000 0.746 378 E HN 0.010 nan 8.360 nan 0.000 0.466 379 A N -1.016 121.818 122.820 0.022 0.000 2.235 379 A HA 0.320 4.642 4.320 0.002 0.000 0.208 379 A C 1.726 179.182 177.584 -0.213 0.000 1.172 379 A CA 1.054 53.056 52.037 -0.058 0.000 0.786 379 A CB -0.444 18.556 19.000 -0.000 0.000 0.804 379 A HN 0.481 nan 8.150 nan 0.000 0.479 380 G N -2.899 105.758 108.800 -0.238 0.000 2.336 380 G HA2 -0.204 3.757 3.960 0.002 0.000 0.194 380 G HA3 -0.204 3.757 3.960 0.002 0.000 0.194 380 G C -0.109 174.480 174.900 -0.519 0.000 0.999 380 G CA -0.329 44.550 45.100 -0.369 0.000 0.669 380 G HN 0.360 nan 8.290 nan 0.000 0.482 381 W N 1.939 122.849 121.300 -0.650 0.000 2.190 381 W HA 0.592 5.254 4.660 0.002 0.000 0.330 381 W C 0.900 177.074 176.519 -0.574 0.000 1.299 381 W CA 0.047 56.843 57.345 -0.915 0.000 1.215 381 W CB 0.706 28.855 29.460 -2.185 0.000 1.147 381 W HN -0.014 nan 8.180 nan 0.000 0.563 382 D N 1.408 121.756 120.400 -0.087 0.000 2.431 382 D HA 0.159 4.800 4.640 0.002 0.000 0.235 382 D C 0.214 176.709 176.300 0.326 0.000 0.980 382 D CA 0.885 54.970 54.000 0.142 0.000 0.912 382 D CB 0.568 41.423 40.800 0.092 0.000 1.056 382 D HN 0.147 nan 8.370 nan 0.000 0.494 383 L N 0.824 122.187 121.223 0.233 0.000 2.434 383 L HA 0.412 4.753 4.340 0.002 0.000 0.260 383 L C -1.363 175.712 176.870 0.343 0.000 0.983 383 L CA -0.984 54.062 54.840 0.343 0.000 0.820 383 L CB 2.986 45.142 42.059 0.163 0.000 1.361 383 L HN -0.155 nan 8.230 nan 0.000 0.410 384 L N 3.446 124.879 121.223 0.351 0.000 2.341 384 L HA 0.655 4.996 4.340 0.002 0.000 0.278 384 L C -1.074 175.819 176.870 0.038 0.000 1.005 384 L CA -0.184 54.744 54.840 0.146 0.000 0.818 384 L CB 1.448 43.508 42.059 0.000 0.000 1.259 384 L HN 0.284 nan 8.230 nan 0.000 0.418 385 I N 6.832 127.403 120.570 0.002 0.000 2.406 385 I HA 0.574 4.745 4.170 0.002 0.000 0.290 385 I C -0.314 175.782 176.117 -0.036 0.000 0.999 385 I CA -0.511 60.784 61.300 -0.009 0.000 1.124 385 I CB 1.170 39.182 38.000 0.020 0.000 1.289 385 I HN 0.736 nan 8.210 nan 0.000 0.441 386 L N 4.642 125.850 121.223 -0.024 0.000 2.671 386 L HA 0.756 5.097 4.340 0.002 0.000 0.259 386 L C -3.141 173.791 176.870 0.104 0.000 1.021 386 L CA -1.986 52.857 54.840 0.005 0.000 0.871 386 L CB 2.168 44.150 42.059 -0.127 0.000 1.472 386 L HN 0.107 nan 8.230 nan 0.000 0.410 387 P HA 0.218 nan 4.420 nan 0.000 0.269 387 P C 0.078 177.507 177.300 0.215 0.000 1.209 387 P CA -0.108 63.098 63.100 0.176 0.000 0.776 387 P CB 0.933 32.722 31.700 0.149 0.000 0.876 388 T N 0.196 114.803 114.554 0.089 0.000 2.770 388 T HA 0.012 4.363 4.350 0.002 0.000 0.263 388 T C 0.932 175.676 174.700 0.073 0.000 1.039 388 T CA 1.128 63.275 62.100 0.079 0.000 1.142 388 T CB -0.227 68.643 68.868 0.004 0.000 0.868 388 T HN 0.416 nan 8.240 nan 0.000 0.435 389 V N -0.022 119.884 119.914 -0.013 0.000 3.046 389 V HA 0.743 4.864 4.120 0.002 0.000 0.316 389 V C 0.888 176.852 176.094 -0.216 0.000 1.104 389 V CA -0.308 61.932 62.300 -0.100 0.000 1.006 389 V CB 1.719 33.487 31.823 -0.091 0.000 1.058 389 V HN 0.234 nan 8.190 nan 0.000 0.440 390 T N -0.938 113.416 114.554 -0.333 0.000 3.054 390 T HA 0.370 4.721 4.350 0.002 0.000 0.255 390 T C 0.489 175.040 174.700 -0.248 0.000 1.035 390 T CA 0.166 62.034 62.100 -0.386 0.000 0.941 390 T CB -0.310 68.255 68.868 -0.505 0.000 1.026 390 T HN 1.059 nan 8.240 nan 0.000 0.533 391 R N -0.649 119.724 120.500 -0.211 0.000 2.831 391 R HA 0.613 4.954 4.340 0.002 0.000 0.266 391 R C -1.013 175.217 176.300 -0.117 0.000 1.051 391 R CA -1.177 54.825 56.100 -0.164 0.000 0.943 391 R CB 0.738 30.918 30.300 -0.201 0.000 1.228 391 R HN -0.113 nan 8.270 nan 0.000 0.467 392 Q N 0.729 120.474 119.800 -0.091 0.000 2.454 392 Q HA 0.133 4.475 4.340 0.002 0.000 0.247 392 Q C -0.287 175.671 176.000 -0.070 0.000 1.028 392 Q CA 0.309 56.070 55.803 -0.071 0.000 0.910 392 Q CB 0.921 29.628 28.738 -0.052 0.000 1.276 392 Q HN 0.585 nan 8.270 nan 0.000 0.489 393 T N 4.544 119.062 114.554 -0.060 0.000 2.853 393 T HA 0.179 4.531 4.350 0.002 0.000 0.298 393 T C -1.996 172.683 174.700 -0.034 0.000 0.978 393 T CA -0.830 61.241 62.100 -0.049 0.000 1.152 393 T CB 0.271 69.113 68.868 -0.042 0.000 0.914 393 T HN 0.381 nan 8.240 nan 0.000 0.539 394 P HA 0.190 nan 4.420 nan 0.000 0.272 394 P C -0.172 177.123 177.300 -0.008 0.000 1.230 394 P CA -0.432 62.654 63.100 -0.024 0.000 0.788 394 P CB 0.897 32.581 31.700 -0.027 0.000 0.949 395 E N 0.655 120.852 120.200 -0.004 0.000 2.349 395 E HA 0.231 4.582 4.350 0.002 0.000 0.265 395 E C 0.346 176.951 176.600 0.009 0.000 1.064 395 E CA -0.862 55.541 56.400 0.006 0.000 0.886 395 E CB 0.428 30.131 29.700 0.006 0.000 1.036 395 E HN 0.324 nan 8.360 nan 0.000 0.413 396 I N 1.763 122.342 120.570 0.015 0.000 2.880 396 I HA -0.119 4.052 4.170 0.002 0.000 0.296 396 I C 1.622 177.749 176.117 0.017 0.000 1.220 396 I CA 1.451 62.761 61.300 0.018 0.000 1.435 396 I CB -0.267 37.746 38.000 0.021 0.000 1.339 396 I HN 0.980 nan 8.210 nan 0.000 0.583 397 G N 4.722 113.535 108.800 0.021 0.000 2.267 397 G HA2 -0.331 3.631 3.960 0.002 0.000 0.257 397 G HA3 -0.331 3.631 3.960 0.002 0.000 0.257 397 G C 1.091 176.004 174.900 0.022 0.000 0.998 397 G CA 0.562 45.676 45.100 0.024 0.000 0.620 397 G HN 0.660 nan 8.290 nan 0.000 0.529 398 E N 0.040 120.249 120.200 0.014 0.000 2.072 398 E HA 0.059 4.411 4.350 0.002 0.000 0.191 398 E C 2.440 179.047 176.600 0.012 0.000 0.985 398 E CA 1.099 57.504 56.400 0.009 0.000 0.801 398 E CB -0.178 29.521 29.700 -0.001 0.000 0.750 398 E HN 0.601 nan 8.360 nan 0.000 0.452 399 L N 0.496 121.725 121.223 0.011 0.000 2.509 399 L HA 0.084 4.426 4.340 0.002 0.000 0.222 399 L C 0.599 177.484 176.870 0.026 0.000 1.123 399 L CA -0.190 54.656 54.840 0.010 0.000 0.856 399 L CB 0.039 42.097 42.059 -0.001 0.000 0.985 399 L HN 0.189 nan 8.230 nan 0.000 0.456 400 M N 1.792 121.416 119.600 0.040 0.000 2.143 400 M HA 0.277 4.758 4.480 0.002 0.000 0.348 400 M C -0.246 176.121 176.300 0.112 0.000 1.375 400 M CA 0.107 55.448 55.300 0.068 0.000 1.124 400 M CB 0.890 33.530 32.600 0.068 0.000 1.669 400 M HN -0.016 nan 8.290 nan 0.000 0.469 401 L N 2.338 123.669 121.223 0.179 0.000 2.399 401 L HA 0.579 4.921 4.340 0.002 0.000 0.266 401 L C 0.795 177.864 176.870 0.332 0.000 1.114 401 L CA -0.882 54.109 54.840 0.252 0.000 0.804 401 L CB 0.864 43.125 42.059 0.338 0.000 1.146 401 L HN 0.733 nan 8.230 nan 0.000 0.451 402 A N 2.325 125.226 122.820 0.135 0.000 2.425 402 A HA 0.126 4.447 4.320 0.002 0.000 0.249 402 A C 1.213 178.546 177.584 -0.417 0.000 1.084 402 A CA -0.421 51.589 52.037 -0.046 0.000 0.781 402 A CB 0.415 19.362 19.000 -0.089 0.000 1.019 402 A HN 0.834 nan 8.150 nan 0.000 0.490 403 K N 1.982 121.922 120.400 -0.766 0.000 2.520 403 K HA -0.151 4.171 4.320 0.002 0.000 0.198 403 K C 0.925 176.753 176.600 -1.287 0.000 1.045 403 K CA 1.940 57.200 56.287 -1.713 0.000 0.934 403 K CB -0.578 31.399 32.500 -0.872 0.000 0.766 403 K HN 0.736 nan 8.250 nan 0.000 0.483 404 G N 0.661 109.038 108.800 -0.705 0.000 3.393 404 G HA2 0.054 4.015 3.960 0.002 0.000 0.255 404 G HA3 0.054 4.015 3.960 0.002 0.000 0.255 404 G C -0.195 174.532 174.900 -0.288 0.000 1.097 404 G CA -0.346 44.500 45.100 -0.424 0.000 0.780 404 G HN 0.249 nan 8.290 nan 0.000 0.540 405 T N 0.980 115.355 114.554 -0.298 0.000 2.901 405 T HA 0.144 4.495 4.350 0.002 0.000 0.301 405 T C -0.363 174.376 174.700 0.066 0.000 1.012 405 T CA 0.172 62.261 62.100 -0.019 0.000 1.135 405 T CB 1.574 70.546 68.868 0.173 0.000 0.936 405 T HN 0.015 nan 8.240 nan 0.000 0.539 406 D N 3.226 123.664 120.400 0.063 0.000 2.563 406 D HA 0.217 4.858 4.640 0.002 0.000 0.222 406 D C 1.264 177.624 176.300 0.101 0.000 1.145 406 D CA -0.180 53.865 54.000 0.074 0.000 1.001 406 D CB -0.261 40.561 40.800 0.037 0.000 1.049 406 D HN 0.432 nan 8.370 nan 0.000 0.515 407 L N 1.601 122.918 121.223 0.156 0.000 1.955 407 L HA -0.070 4.271 4.340 0.002 0.000 0.213 407 L C 0.492 177.404 176.870 0.070 0.000 1.072 407 L CA 0.809 55.717 54.840 0.113 0.000 0.755 407 L CB -0.500 41.624 42.059 0.109 0.000 0.888 407 L HN 0.368 nan 8.230 nan 0.000 0.432 408 E N -0.725 119.517 120.200 0.070 0.000 4.734 408 E HA -0.136 4.215 4.350 0.002 0.000 0.167 408 E C 0.528 177.146 176.600 0.029 0.000 1.498 408 E CA 0.111 56.539 56.400 0.046 0.000 1.080 408 E CB -1.556 28.168 29.700 0.039 0.000 1.040 408 E HN 0.668 nan 8.360 nan 0.000 0.357 409 G N 1.795 110.607 108.800 0.020 0.000 2.249 409 G HA2 -0.360 3.601 3.960 0.002 0.000 0.273 409 G HA3 -0.360 3.601 3.960 0.002 0.000 0.273 409 G C 0.109 175.011 174.900 0.004 0.000 1.036 409 G CA 1.104 46.209 45.100 0.008 0.000 0.824 409 G HN 0.576 nan 8.290 nan 0.000 0.504 410 R N -1.068 119.427 120.500 -0.008 0.000 2.644 410 R HA 0.332 4.673 4.340 0.002 0.000 0.257 410 R C -0.234 176.017 176.300 -0.081 0.000 1.082 410 R CA -0.885 55.211 56.100 -0.008 0.000 0.927 410 R CB 0.565 30.895 30.300 0.050 0.000 1.258 410 R HN 0.101 nan 8.270 nan 0.000 0.459 411 Q N 1.255 120.934 119.800 -0.201 0.000 2.342 411 Q HA -0.053 4.288 4.340 0.002 0.000 0.330 411 Q C 0.783 176.622 176.000 -0.268 0.000 1.117 411 Q CA 1.191 56.733 55.803 -0.435 0.000 1.010 411 Q CB 0.824 28.848 28.738 -1.190 0.000 1.204 411 Q HN 0.854 nan 8.270 nan 0.000 0.400 412 S N 0.652 116.194 115.700 -0.264 0.000 2.453 412 S HA -0.032 4.440 4.470 0.002 0.000 0.231 412 S C 1.527 176.066 174.600 -0.102 0.000 1.005 412 S CA 0.554 58.663 58.200 -0.151 0.000 0.949 412 S CB 0.079 63.164 63.200 -0.192 0.000 0.774 412 S HN 0.629 nan 8.310 nan 0.000 0.510 413 A N 0.385 123.098 122.820 -0.177 0.000 2.169 413 A HA 0.365 4.687 4.320 0.002 0.000 0.212 413 A C 1.035 178.765 177.584 0.243 0.000 1.153 413 A CA 0.276 52.294 52.037 -0.033 0.000 0.756 413 A CB -0.528 18.425 19.000 -0.078 0.000 0.813 413 A HN 0.527 nan 8.150 nan 0.000 0.471 414 F N 0.103 120.036 119.950 -0.029 0.000 2.639 414 F HA 0.361 4.889 4.527 0.002 0.000 0.300 414 F C 0.501 176.281 175.800 -0.034 0.000 1.109 414 F CA -1.509 56.475 58.000 -0.027 0.000 1.335 414 F CB -0.597 38.387 39.000 -0.025 0.000 1.014 414 F HN 0.246 nan 8.300 nan 0.000 0.537 415 I N -4.746 115.905 120.570 0.136 0.000 2.892 415 I HA 0.642 4.813 4.170 0.002 0.000 0.306 415 I C 1.047 177.176 176.117 0.020 0.000 1.078 415 I CA -0.713 60.626 61.300 0.066 0.000 1.032 415 I CB 1.785 39.816 38.000 0.052 0.000 1.229 415 I HN -0.107 nan 8.210 nan 0.000 0.435 416 S N 3.116 118.818 115.700 0.002 0.000 4.136 416 S HA -0.335 4.136 4.470 0.002 0.000 0.539 416 S C 1.402 175.952 174.600 -0.083 0.000 1.754 416 S CA 2.047 60.228 58.200 -0.031 0.000 4.093 416 S CB -1.865 61.327 63.200 -0.012 0.000 1.066 416 S HN 1.234 nan 8.310 nan 0.000 0.491 417 G N 0.071 108.830 108.800 -0.068 0.000 2.450 417 G HA2 -0.104 3.857 3.960 0.002 0.000 0.220 417 G HA3 -0.104 3.857 3.960 0.002 0.000 0.220 417 G C 1.460 176.302 174.900 -0.096 0.000 1.130 417 G CA 1.504 46.548 45.100 -0.092 0.000 0.760 417 G HN 0.584 nan 8.290 nan 0.000 0.557 418 S N -0.026 115.643 115.700 -0.052 0.000 2.395 418 S HA -0.022 4.449 4.470 0.002 0.000 0.225 418 S C 2.119 176.702 174.600 -0.028 0.000 1.027 418 S CA 0.724 58.909 58.200 -0.025 0.000 0.965 418 S CB -0.189 63.020 63.200 0.015 0.000 0.812 418 S HN 0.266 nan 8.310 nan 0.000 0.482 419 L N 2.261 123.462 121.223 -0.038 0.000 2.043 419 L HA -0.140 4.201 4.340 0.002 0.000 0.212 419 L C 2.100 178.859 176.870 -0.185 0.000 1.075 419 L CA 1.856 56.664 54.840 -0.053 0.000 0.752 419 L CB -0.725 41.311 42.059 -0.039 0.000 0.891 419 L HN 0.277 nan 8.230 nan 0.000 0.432 420 Q N -1.594 117.977 119.800 -0.383 0.000 2.364 420 Q HA -0.147 4.195 4.340 0.002 0.000 0.207 420 Q C 1.919 177.721 176.000 -0.330 0.000 0.970 420 Q CA 1.138 56.574 55.803 -0.611 0.000 0.888 420 Q CB -0.031 28.245 28.738 -0.769 0.000 0.951 420 Q HN 0.524 nan 8.270 nan 0.000 0.469 421 M N -0.079 119.410 119.600 -0.185 0.000 2.236 421 M HA -0.054 4.427 4.480 0.002 0.000 0.266 421 M C 1.715 177.986 176.300 -0.048 0.000 1.070 421 M CA 1.088 56.325 55.300 -0.105 0.000 1.137 421 M CB -0.446 32.120 32.600 -0.055 0.000 1.378 421 M HN 0.216 nan 8.290 nan 0.000 0.426 422 L N -3.117 118.097 121.223 -0.016 0.000 2.766 422 L HA 0.556 4.897 4.340 0.002 0.000 0.242 422 L C 1.996 178.901 176.870 0.057 0.000 1.136 422 L CA 0.302 55.165 54.840 0.039 0.000 0.933 422 L CB -1.454 40.655 42.059 0.084 0.000 1.241 422 L HN -0.008 nan 8.230 nan 0.000 0.522 423 A N 0.193 123.051 122.820 0.062 0.000 1.940 423 A HA -0.089 4.233 4.320 0.002 0.000 0.219 423 A C 1.815 179.620 177.584 0.369 0.000 1.176 423 A CA 1.748 53.895 52.037 0.184 0.000 0.631 423 A CB -0.805 18.392 19.000 0.329 0.000 0.814 423 A HN 0.399 nan 8.150 nan 0.000 0.446 424 F N 0.255 120.234 119.950 0.049 0.000 2.765 424 F HA 0.072 4.601 4.527 0.002 0.000 0.302 424 F C 2.341 178.213 175.800 0.120 0.000 1.111 424 F CA 1.003 59.040 58.000 0.062 0.000 1.359 424 F CB -0.570 38.469 39.000 0.066 0.000 1.097 424 F HN 0.406 nan 8.300 nan 0.000 0.577 425 T N -4.939 109.760 114.554 0.242 0.000 3.038 425 T HA 0.045 4.396 4.350 0.002 0.000 0.244 425 T C 1.971 176.709 174.700 0.063 0.000 1.016 425 T CA 0.747 62.965 62.100 0.196 0.000 1.098 425 T CB -0.712 68.227 68.868 0.119 0.000 0.954 425 T HN -0.020 nan 8.240 nan 0.000 0.469 426 V N 3.148 123.060 119.914 -0.004 0.000 2.490 426 V HA 0.002 4.123 4.120 0.002 0.000 0.250 426 V C -0.874 175.078 176.094 -0.236 0.000 1.061 426 V CA 1.518 63.762 62.300 -0.094 0.000 1.064 426 V CB -0.877 30.896 31.823 -0.082 0.000 0.670 426 V HN 0.323 nan 8.190 nan 0.000 0.461 427 P HA -0.114 nan 4.420 nan 0.000 0.218 427 P C 1.119 177.988 177.300 -0.719 0.000 1.148 427 P CA 1.586 64.323 63.100 -0.605 0.000 0.822 427 P CB -0.146 31.098 31.700 -0.760 0.000 0.784 428 F N -1.506 118.368 119.950 -0.126 0.000 2.743 428 F HA 0.081 4.609 4.527 0.002 0.000 0.297 428 F C 1.722 177.400 175.800 -0.202 0.000 1.131 428 F CA 0.529 58.429 58.000 -0.167 0.000 1.426 428 F CB -1.418 37.482 39.000 -0.165 0.000 1.116 428 F HN -0.091 nan 8.300 nan 0.000 0.583 429 N N -0.059 118.559 118.700 -0.137 0.000 2.250 429 N HA -0.086 4.656 4.740 0.002 0.000 0.181 429 N C 1.889 177.359 175.510 -0.067 0.000 1.017 429 N CA 0.810 53.792 53.050 -0.113 0.000 0.866 429 N CB -0.139 38.274 38.487 -0.123 0.000 0.985 429 N HN 0.001 nan 8.380 nan 0.000 0.429 430 V N 0.368 120.141 119.914 -0.234 0.000 2.323 430 V HA -0.165 3.956 4.120 0.002 0.000 0.244 430 V C 2.290 178.307 176.094 -0.127 0.000 1.041 430 V CA 1.917 64.073 62.300 -0.240 0.000 1.025 430 V CB -0.682 30.877 31.823 -0.441 0.000 0.656 430 V HN 0.454 nan 8.190 nan 0.000 0.451 431 S N 0.234 115.864 115.700 -0.117 0.000 2.453 431 S HA 0.103 4.574 4.470 0.002 0.000 0.231 431 S C 1.801 176.446 174.600 0.076 0.000 1.005 431 S CA 1.039 59.209 58.200 -0.050 0.000 0.949 431 S CB 0.073 63.241 63.200 -0.053 0.000 0.774 431 S HN 1.268 nan 8.310 nan 0.000 0.510 432 G N 0.621 109.484 108.800 0.105 0.000 2.148 432 G HA2 -0.269 3.693 3.960 0.002 0.000 0.254 432 G HA3 -0.269 3.693 3.960 0.002 0.000 0.254 432 G C -0.152 174.792 174.900 0.073 0.000 0.981 432 G CA 0.303 45.540 45.100 0.228 0.000 0.670 432 G HN 0.650 nan 8.290 nan 0.000 0.528 433 Q N 1.074 120.875 119.800 0.002 0.000 2.340 433 Q HA 0.402 4.743 4.340 0.002 0.000 0.249 433 Q C -2.053 173.805 176.000 -0.237 0.000 0.957 433 Q CA -1.472 54.227 55.803 -0.174 0.000 0.882 433 Q CB 1.096 29.655 28.738 -0.299 0.000 1.235 433 Q HN 0.287 nan 8.270 nan 0.000 0.439 434 P HA 0.104 nan 4.420 nan 0.000 0.271 434 P C -1.535 175.604 177.300 -0.268 0.000 1.220 434 P CA 0.076 63.024 63.100 -0.253 0.000 0.768 434 P CB 0.865 32.426 31.700 -0.230 0.000 0.848 435 A N 4.533 127.200 122.820 -0.254 0.000 2.427 435 A HA 0.688 5.009 4.320 0.002 0.000 0.298 435 A C -1.099 176.363 177.584 -0.203 0.000 1.036 435 A CA -0.783 51.096 52.037 -0.262 0.000 0.701 435 A CB 1.162 19.986 19.000 -0.295 0.000 1.250 435 A HN 0.593 nan 8.150 nan 0.000 0.412 436 I N 1.463 121.930 120.570 -0.172 0.000 2.569 436 I HA 0.618 4.789 4.170 0.002 0.000 0.296 436 I C -0.186 175.854 176.117 -0.128 0.000 1.028 436 I CA -0.419 60.792 61.300 -0.148 0.000 1.082 436 I CB 2.138 40.065 38.000 -0.121 0.000 1.264 436 I HN 0.574 nan 8.210 nan 0.000 0.429 437 S N 7.383 123.003 115.700 -0.134 0.000 2.433 437 S HA 0.626 5.097 4.470 0.002 0.000 0.310 437 S C -0.881 173.612 174.600 -0.179 0.000 1.097 437 S CA -0.664 57.460 58.200 -0.127 0.000 1.103 437 S CB 0.538 63.675 63.200 -0.105 0.000 0.992 437 S HN 0.478 nan 8.310 nan 0.000 0.469 438 L N 6.710 127.807 121.223 -0.211 0.000 2.307 438 L HA 0.508 4.850 4.340 0.002 0.000 0.284 438 L C -1.941 174.639 176.870 -0.482 0.000 1.023 438 L CA -2.317 52.288 54.840 -0.391 0.000 0.810 438 L CB 2.044 43.955 42.059 -0.247 0.000 1.231 438 L HN 0.520 nan 8.230 nan 0.000 0.423 439 P HA 0.127 nan 4.420 nan 0.000 0.226 439 P C 0.661 177.712 177.300 -0.415 0.000 1.783 439 P CA 0.206 62.936 63.100 -0.617 0.000 0.980 439 P CB 0.048 31.314 31.700 -0.723 0.000 1.967 440 I N -0.671 119.776 120.570 -0.206 0.000 3.030 440 I HA 0.093 4.264 4.170 0.002 0.000 0.270 440 I C 1.484 177.616 176.117 0.025 0.000 1.211 440 I CA 0.508 61.824 61.300 0.027 0.000 1.479 440 I CB 0.063 38.101 38.000 0.063 0.000 1.105 440 I HN 0.171 nan 8.210 nan 0.000 0.447 441 G N 0.607 109.378 108.800 -0.047 0.000 2.537 441 G HA2 0.701 4.662 3.960 0.002 0.000 0.323 441 G HA3 0.701 4.662 3.960 0.002 0.000 0.323 441 G C -0.738 174.106 174.900 -0.093 0.000 1.207 441 G CA -0.350 44.724 45.100 -0.043 0.000 0.976 441 G HN -0.182 nan 8.290 nan 0.000 0.487 442 M N 0.910 120.467 119.600 -0.071 0.000 2.371 442 M HA 0.307 4.788 4.480 0.002 0.000 0.287 442 M C 0.250 176.512 176.300 -0.063 0.000 1.149 442 M CA -0.892 54.347 55.300 -0.101 0.000 0.929 442 M CB 1.753 34.315 32.600 -0.064 0.000 1.683 442 M HN 0.748 nan 8.290 nan 0.000 0.470 443 S N 0.988 116.644 115.700 -0.074 0.000 2.608 443 S HA 0.269 4.740 4.470 0.002 0.000 0.261 443 S C 1.170 175.759 174.600 -0.019 0.000 1.314 443 S CA 0.178 58.352 58.200 -0.044 0.000 0.992 443 S CB 0.583 63.753 63.200 -0.050 0.000 0.935 443 S HN 0.758 nan 8.310 nan 0.000 0.564 444 S N -0.186 115.509 115.700 -0.008 0.000 2.474 444 S HA -0.096 4.376 4.470 0.002 0.000 0.235 444 S C 0.714 175.320 174.600 0.010 0.000 0.997 444 S CA 0.755 58.958 58.200 0.004 0.000 0.949 444 S CB -0.709 62.494 63.200 0.005 0.000 0.766 444 S HN 0.901 nan 8.310 nan 0.000 0.517 445 D N 0.099 120.503 120.400 0.006 0.000 2.525 445 D HA 0.303 4.944 4.640 0.002 0.000 0.229 445 D C 1.060 177.379 176.300 0.031 0.000 1.202 445 D CA 0.029 54.040 54.000 0.018 0.000 0.828 445 D CB -0.485 40.324 40.800 0.014 0.000 1.008 445 D HN 0.429 nan 8.370 nan 0.000 0.493 446 G N 0.783 109.600 108.800 0.029 0.000 2.160 446 G HA2 -0.249 3.713 3.960 0.002 0.000 0.251 446 G HA3 -0.249 3.713 3.960 0.002 0.000 0.251 446 G C -0.042 174.872 174.900 0.024 0.000 1.008 446 G CA 0.214 45.348 45.100 0.056 0.000 0.724 446 G HN 0.282 nan 8.290 nan 0.000 0.514 447 M N -0.016 119.547 119.600 -0.062 0.000 2.268 447 M HA 0.385 4.866 4.480 0.002 0.000 0.344 447 M C -2.356 173.763 176.300 -0.302 0.000 1.106 447 M CA -3.058 52.149 55.300 -0.154 0.000 1.010 447 M CB 1.062 33.611 32.600 -0.085 0.000 1.649 447 M HN -0.165 nan 8.290 nan 0.000 0.443 448 P HA 0.200 nan 4.420 nan 0.000 0.266 448 P C -0.748 176.378 177.300 -0.291 0.000 1.195 448 P CA 0.314 63.093 63.100 -0.535 0.000 0.768 448 P CB 0.420 31.664 31.700 -0.759 0.000 0.838 449 I N 2.097 122.534 120.570 -0.223 0.000 2.439 449 I HA 0.370 4.541 4.170 0.002 0.000 0.285 449 I C 0.758 176.793 176.117 -0.138 0.000 1.021 449 I CA -0.559 60.654 61.300 -0.146 0.000 1.091 449 I CB 2.005 39.945 38.000 -0.100 0.000 1.242 449 I HN 0.341 nan 8.210 nan 0.000 0.439 450 G N 5.206 113.933 108.800 -0.122 0.000 2.448 450 G HA2 0.554 4.515 3.960 0.002 0.000 0.285 450 G HA3 0.554 4.515 3.960 0.002 0.000 0.285 450 G C -0.720 174.135 174.900 -0.074 0.000 1.176 450 G CA -0.280 44.747 45.100 -0.121 0.000 0.852 450 G HN 0.322 nan 8.290 nan 0.000 0.530 451 V N 1.466 121.331 119.914 -0.080 0.000 2.448 451 V HA 0.359 4.481 4.120 0.002 0.000 0.295 451 V C 0.071 176.138 176.094 -0.045 0.000 1.025 451 V CA -0.637 61.641 62.300 -0.036 0.000 0.859 451 V CB 1.394 33.205 31.823 -0.020 0.000 0.988 451 V HN 0.839 nan 8.190 nan 0.000 0.431 452 Q N 4.234 124.021 119.800 -0.021 0.000 2.245 452 Q HA 0.593 4.935 4.340 0.002 0.000 0.256 452 Q C -1.471 174.490 176.000 -0.064 0.000 0.942 452 Q CA -0.666 55.109 55.803 -0.047 0.000 0.896 452 Q CB 1.571 30.298 28.738 -0.019 0.000 1.272 452 Q HN 0.583 nan 8.270 nan 0.000 0.442 453 I N 3.822 124.337 120.570 -0.093 0.000 2.498 453 I HA 0.405 4.576 4.170 0.002 0.000 0.290 453 I C -0.705 175.325 176.117 -0.144 0.000 1.032 453 I CA -0.810 60.444 61.300 -0.078 0.000 1.073 453 I CB 1.561 39.536 38.000 -0.040 0.000 1.251 453 I HN 0.377 nan 8.210 nan 0.000 0.426 454 V N 4.731 124.569 119.914 -0.127 0.000 2.540 454 V HA 0.851 4.973 4.120 0.002 0.000 0.302 454 V C 0.290 176.427 176.094 0.071 0.000 1.035 454 V CA -0.536 61.633 62.300 -0.218 0.000 0.873 454 V CB 1.661 33.137 31.823 -0.579 0.000 0.992 454 V HN 0.932 nan 8.190 nan 0.000 0.428 455 A N 3.314 126.088 122.820 -0.077 0.000 2.344 455 A HA 0.991 5.313 4.320 0.002 0.000 0.307 455 A C 0.290 177.651 177.584 -0.372 0.000 1.151 455 A CA -0.250 51.797 52.037 0.016 0.000 0.842 455 A CB 1.253 20.256 19.000 0.005 0.000 1.350 455 A HN 1.386 nan 8.150 nan 0.000 0.459 456 A N -0.651 121.999 122.820 -0.283 0.000 2.448 456 A HA 0.406 4.727 4.320 0.002 0.000 0.239 456 A C -0.052 177.413 177.584 -0.199 0.000 1.080 456 A CA -0.054 51.748 52.037 -0.391 0.000 0.779 456 A CB -0.391 18.611 19.000 0.004 0.000 1.026 456 A HN 1.137 nan 8.150 nan 0.000 0.499 457 Y N 0.853 120.997 120.300 -0.261 0.000 2.881 457 Y HA 0.218 4.769 4.550 0.002 0.000 0.335 457 Y C 1.580 177.439 175.900 -0.069 0.000 1.263 457 Y CA 1.680 59.691 58.100 -0.148 0.000 1.572 457 Y CB 0.059 38.458 38.460 -0.102 0.000 1.237 457 Y HN 1.462 nan 8.280 nan 0.000 0.568 458 G N 4.574 113.203 108.800 -0.285 0.000 2.179 458 G HA2 -0.293 3.668 3.960 0.002 0.000 0.260 458 G HA3 -0.293 3.668 3.960 0.002 0.000 0.260 458 G C 0.624 175.513 174.900 -0.019 0.000 0.977 458 G CA 0.156 45.183 45.100 -0.121 0.000 0.641 458 G HN 0.531 nan 8.290 nan 0.000 0.533 459 R N 0.593 121.074 120.500 -0.032 0.000 3.782 459 R HA 0.370 4.711 4.340 0.002 0.000 0.291 459 R C 1.269 177.576 176.300 0.012 0.000 1.539 459 R CA -0.110 56.003 56.100 0.022 0.000 1.345 459 R CB -0.012 30.309 30.300 0.035 0.000 1.408 459 R HN 0.501 nan 8.270 nan 0.000 0.654 460 E N 0.856 121.051 120.200 -0.008 0.000 2.265 460 E HA -0.187 4.165 4.350 0.002 0.000 0.196 460 E C 1.404 178.019 176.600 0.025 0.000 0.996 460 E CA 1.524 57.864 56.400 -0.101 0.000 0.832 460 E CB 0.141 29.620 29.700 -0.369 0.000 0.756 460 E HN 0.450 nan 8.360 nan 0.000 0.491 461 D N 0.720 121.259 120.400 0.232 0.000 2.097 461 D HA -0.214 4.427 4.640 0.002 0.000 0.195 461 D C 1.914 178.294 176.300 0.133 0.000 0.989 461 D CA 1.033 55.190 54.000 0.260 0.000 0.827 461 D CB -0.571 40.358 40.800 0.215 0.000 0.966 461 D HN 0.269 nan 8.370 nan 0.000 0.456 462 L N -0.442 120.839 121.223 0.097 0.000 2.093 462 L HA -0.108 4.233 4.340 0.002 0.000 0.208 462 L C 2.755 179.659 176.870 0.057 0.000 1.085 462 L CA 0.398 55.285 54.840 0.079 0.000 0.755 462 L CB -0.423 41.684 42.059 0.080 0.000 0.904 462 L HN 0.051 nan 8.230 nan 0.000 0.435 463 L N 0.050 121.292 121.223 0.032 0.000 1.989 463 L HA -0.222 4.120 4.340 0.002 0.000 0.211 463 L C 2.341 179.218 176.870 0.010 0.000 1.071 463 L CA 1.824 56.665 54.840 0.001 0.000 0.749 463 L CB -0.420 41.609 42.059 -0.050 0.000 0.890 463 L HN 0.100 nan 8.230 nan 0.000 0.431 464 L N -1.306 119.925 121.223 0.013 0.000 2.141 464 L HA -0.217 4.124 4.340 0.002 0.000 0.209 464 L C 2.584 179.494 176.870 0.067 0.000 1.094 464 L CA 1.094 55.954 54.840 0.033 0.000 0.763 464 L CB -0.525 41.554 42.059 0.034 0.000 0.908 464 L HN 0.399 nan 8.230 nan 0.000 0.437 465 Q N -0.544 119.302 119.800 0.077 0.000 2.050 465 Q HA -0.175 4.167 4.340 0.002 0.000 0.202 465 Q C 2.338 178.392 176.000 0.089 0.000 0.980 465 Q CA 1.568 57.423 55.803 0.086 0.000 0.840 465 Q CB -0.149 28.644 28.738 0.091 0.000 0.898 465 Q HN 0.325 nan 8.270 nan 0.000 0.424 466 V N 0.693 120.651 119.914 0.074 0.000 2.515 466 V HA -0.213 3.908 4.120 0.002 0.000 0.250 466 V C 2.129 178.269 176.094 0.076 0.000 1.058 466 V CA 1.528 63.867 62.300 0.064 0.000 1.064 466 V CB -0.853 30.961 31.823 -0.015 0.000 0.675 466 V HN 0.380 nan 8.190 nan 0.000 0.461 467 A N 0.284 123.149 122.820 0.074 0.000 1.898 467 A HA -0.080 4.241 4.320 0.002 0.000 0.216 467 A C 2.437 180.107 177.584 0.143 0.000 1.181 467 A CA 1.897 53.999 52.037 0.108 0.000 0.620 467 A CB -0.708 18.346 19.000 0.090 0.000 0.819 467 A HN 0.546 nan 8.150 nan 0.000 0.442 468 A N -0.601 122.285 122.820 0.109 0.000 1.933 468 A HA -0.208 4.113 4.320 0.002 0.000 0.218 468 A C 2.112 179.742 177.584 0.076 0.000 1.175 468 A CA 1.617 53.706 52.037 0.088 0.000 0.628 468 A CB -0.535 18.508 19.000 0.071 0.000 0.814 468 A HN 0.673 nan 8.150 nan 0.000 0.444 469 Q N -0.540 119.317 119.800 0.094 0.000 2.079 469 Q HA -0.062 4.279 4.340 0.002 0.000 0.200 469 Q C 2.054 178.115 176.000 0.101 0.000 0.974 469 Q CA 1.335 57.197 55.803 0.098 0.000 0.840 469 Q CB -0.293 28.531 28.738 0.142 0.000 0.898 469 Q HN 0.665 nan 8.270 nan 0.000 0.430 470 L N 0.557 121.856 121.223 0.127 0.000 2.141 470 L HA -0.163 4.179 4.340 0.002 0.000 0.209 470 L C 2.459 179.433 176.870 0.173 0.000 1.094 470 L CA 0.954 55.887 54.840 0.155 0.000 0.763 470 L CB -0.296 41.869 42.059 0.176 0.000 0.908 470 L HN 0.313 nan 8.230 nan 0.000 0.437 471 E N 0.226 120.515 120.200 0.147 0.000 2.153 471 E HA -0.189 4.162 4.350 0.002 0.000 0.194 471 E C 2.091 178.591 176.600 -0.166 0.000 0.988 471 E CA 1.168 57.506 56.400 -0.103 0.000 0.811 471 E CB -0.039 29.564 29.700 -0.163 0.000 0.746 471 E HN 0.472 nan 8.360 nan 0.000 0.466 472 G N 0.134 108.903 108.800 -0.051 0.000 2.453 472 G HA2 -0.077 3.884 3.960 0.002 0.000 0.215 472 G HA3 -0.077 3.884 3.960 0.002 0.000 0.215 472 G C 1.532 176.427 174.900 -0.009 0.000 1.147 472 G CA 0.553 45.627 45.100 -0.043 0.000 0.802 472 G HN 0.359 nan 8.290 nan 0.000 0.535 473 A N -0.080 122.759 122.820 0.031 0.000 1.975 473 A HA 0.452 4.773 4.320 0.002 0.000 0.215 473 A C 1.316 178.937 177.584 0.062 0.000 1.170 473 A CA 0.477 52.544 52.037 0.050 0.000 0.656 473 A CB -0.003 19.041 19.000 0.073 0.000 0.821 473 A HN 0.288 nan 8.150 nan 0.000 0.449 474 L N 1.275 122.550 121.223 0.086 0.000 2.783 474 L HA 0.256 4.598 4.340 0.002 0.000 0.265 474 L C -2.629 174.328 176.870 0.145 0.000 1.398 474 L CA -1.689 53.227 54.840 0.127 0.000 0.802 474 L CB 1.057 43.220 42.059 0.173 0.000 1.126 474 L HN 0.088 nan 8.230 nan 0.000 0.529 475 P HA -0.111 nan 4.420 nan 0.000 0.264 475 P C -0.263 177.054 177.300 0.028 0.000 1.183 475 P CA 0.280 63.281 63.100 -0.164 0.000 0.763 475 P CB 0.558 32.168 31.700 -0.149 0.000 0.807 476 W N 2.159 123.522 121.300 0.105 0.000 2.868 476 W HA 0.254 4.915 4.660 0.002 0.000 0.320 476 W C 1.354 178.003 176.519 0.217 0.000 1.076 476 W CA -0.178 57.253 57.345 0.143 0.000 1.576 476 W CB -1.302 28.233 29.460 0.126 0.000 1.030 476 W HN 0.110 nan 8.180 nan 0.000 0.558 477 V N 2.675 122.595 119.914 0.011 0.000 2.546 477 V HA -0.266 3.855 4.120 0.002 0.000 0.254 477 V C 2.351 178.698 176.094 0.421 0.000 1.076 477 V CA 2.903 65.350 62.300 0.244 0.000 1.087 477 V CB -0.688 31.146 31.823 0.020 0.000 0.674 477 V HN 0.312 nan 8.190 nan 0.000 0.470 478 A N 0.021 122.996 122.820 0.259 0.000 2.019 478 A HA -0.072 4.250 4.320 0.002 0.000 0.219 478 A C 1.554 179.270 177.584 0.220 0.000 1.164 478 A CA 0.817 52.977 52.037 0.205 0.000 0.644 478 A CB -0.339 18.742 19.000 0.136 0.000 0.805 478 A HN 0.643 nan 8.150 nan 0.000 0.449 479 R N 0.079 120.781 120.500 0.336 0.000 2.390 479 R HA 0.548 4.890 4.340 0.002 0.000 0.291 479 R C -0.618 175.896 176.300 0.356 0.000 1.070 479 R CA -0.097 56.222 56.100 0.366 0.000 1.014 479 R CB 0.721 31.313 30.300 0.487 0.000 1.007 479 R HN 0.348 nan 8.270 nan 0.000 0.466 480 R N 2.467 122.977 120.500 0.017 0.000 2.673 480 R HA 0.364 4.705 4.340 0.002 0.000 0.281 480 R C -2.554 173.227 176.300 -0.866 0.000 0.991 480 R CA -2.108 53.698 56.100 -0.490 0.000 0.896 480 R CB 2.152 31.989 30.300 -0.771 0.000 1.201 480 R HN 0.454 nan 8.270 nan 0.000 0.457 481 P HA -0.039 nan 4.420 nan 0.000 0.269 481 P C -0.036 176.881 177.300 -0.638 0.000 1.209 481 P CA -0.146 62.022 63.100 -1.553 0.000 0.776 481 P CB 0.855 31.605 31.700 -1.583 0.000 0.876 482 Q N 1.071 120.658 119.800 -0.356 0.000 2.181 482 Q HA -0.144 4.198 4.340 0.002 0.000 0.205 482 Q C 1.823 177.717 176.000 -0.175 0.000 0.980 482 Q CA 1.069 56.762 55.803 -0.183 0.000 0.862 482 Q CB -0.786 27.910 28.738 -0.069 0.000 0.905 482 Q HN 0.410 nan 8.270 nan 0.000 0.429 483 L N 0.104 121.209 121.223 -0.196 0.000 2.189 483 L HA -0.165 4.176 4.340 0.002 0.000 0.214 483 L C 1.100 177.891 176.870 -0.132 0.000 1.097 483 L CA 1.417 56.173 54.840 -0.140 0.000 0.764 483 L CB -0.155 41.824 42.059 -0.134 0.000 0.900 483 L HN 0.100 nan 8.230 nan 0.000 0.436 484 L N 0.301 121.407 121.223 -0.195 0.000 2.928 484 L HA 0.295 4.636 4.340 0.002 0.000 0.246 484 L C 0.239 177.001 176.870 -0.180 0.000 1.239 484 L CA -0.311 54.428 54.840 -0.169 0.000 1.035 484 L CB -1.194 40.713 42.059 -0.253 0.000 1.360 484 L HN 0.304 nan 8.230 nan 0.000 0.529 485 N N 0.000 118.612 118.700 -0.146 0.000 1.763 485 N HA 0.000 4.741 4.740 0.002 0.000 0.220 485 N CA 0.000 52.979 53.050 -0.118 0.000 0.885 485 N CB 0.000 38.432 38.487 -0.092 0.000 1.341 485 N HN 0.000 nan 8.380 nan 0.000 0.667