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 2gce_1_A DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.538 177.584 -0.076 0.000 1.274 2 A CA 0.000 52.005 52.037 -0.054 0.000 0.836 2 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 3 G N 0.441 109.178 108.800 -0.105 0.000 2.535 3 G HA2 0.532 4.492 3.960 0.001 0.000 0.282 3 G HA3 0.532 4.492 3.960 0.001 0.000 0.282 3 G C -0.665 174.084 174.900 -0.252 0.000 1.350 3 G CA -0.570 44.421 45.100 -0.182 0.000 1.039 3 G HN 0.103 nan 8.290 nan 0.000 0.509 4 P HA -0.009 nan 4.420 nan 0.000 0.226 4 P C 1.269 178.419 177.300 -0.250 0.000 1.153 4 P CA 0.847 63.706 63.100 -0.401 0.000 0.777 4 P CB 0.227 31.494 31.700 -0.722 0.000 0.794 5 L N -0.889 120.200 121.223 -0.223 0.000 2.628 5 L HA 0.168 4.508 4.340 0.001 0.000 0.229 5 L C 1.157 177.965 176.870 -0.103 0.000 1.137 5 L CA -0.201 54.556 54.840 -0.138 0.000 0.909 5 L CB -0.283 41.706 42.059 -0.118 0.000 1.137 5 L HN -0.093 nan 8.230 nan 0.000 0.470 6 S N 0.503 116.140 115.700 -0.105 0.000 2.626 6 S HA 0.195 4.665 4.470 0.001 0.000 0.303 6 S C 1.279 175.836 174.600 -0.071 0.000 1.256 6 S CA 1.165 59.319 58.200 -0.076 0.000 1.069 6 S CB 0.257 63.414 63.200 -0.072 0.000 0.807 6 S HN 0.705 nan 8.310 nan 0.000 0.500 7 G N 3.406 112.166 108.800 -0.066 0.000 2.307 7 G HA2 -0.214 3.747 3.960 0.001 0.000 0.210 7 G HA3 -0.214 3.747 3.960 0.001 0.000 0.210 7 G C -0.041 174.790 174.900 -0.115 0.000 1.005 7 G CA -0.054 44.996 45.100 -0.084 0.000 0.634 7 G HN 0.908 nan 8.290 nan 0.000 0.496 8 L N 2.444 123.609 121.223 -0.098 0.000 2.455 8 L HA 0.616 4.956 4.340 0.001 0.000 0.272 8 L C 0.701 177.492 176.870 -0.132 0.000 1.174 8 L CA 0.127 54.902 54.840 -0.109 0.000 0.869 8 L CB 0.353 42.368 42.059 -0.074 0.000 1.130 8 L HN 0.314 nan 8.230 nan 0.000 0.474 9 R N 4.004 124.371 120.500 -0.221 0.000 2.295 9 R HA 0.647 4.987 4.340 0.001 0.000 0.324 9 R C -1.376 174.843 176.300 -0.136 0.000 0.968 9 R CA -0.732 55.179 56.100 -0.314 0.000 0.837 9 R CB 1.669 31.420 30.300 -0.916 0.000 1.133 9 R HN 0.428 nan 8.270 nan 0.000 0.450 10 V N 4.117 124.070 119.914 0.066 0.000 2.483 10 V HA 0.291 4.412 4.120 0.001 0.000 0.297 10 V C -0.311 175.904 176.094 0.201 0.000 1.027 10 V CA -0.879 61.475 62.300 0.091 0.000 0.855 10 V CB 2.046 33.900 31.823 0.052 0.000 0.995 10 V HN 0.453 nan 8.190 nan 0.000 0.424 11 V N 4.372 124.378 119.914 0.155 0.000 2.407 11 V HA 0.415 4.535 4.120 0.001 0.000 0.278 11 V C 0.135 176.249 176.094 0.033 0.000 1.037 11 V CA -0.378 61.999 62.300 0.129 0.000 0.900 11 V CB 1.597 33.496 31.823 0.127 0.000 0.983 11 V HN 0.947 nan 8.190 nan 0.000 0.459 12 E N 5.298 125.512 120.200 0.023 0.000 2.129 12 E HA 0.413 4.764 4.350 0.001 0.000 0.268 12 E C -1.190 175.405 176.600 -0.008 0.000 0.900 12 E CA -0.692 55.702 56.400 -0.009 0.000 0.755 12 E CB 1.308 31.009 29.700 0.002 0.000 1.117 12 E HN 0.637 nan 8.360 nan 0.000 0.410 13 L N 3.961 125.166 121.223 -0.030 0.000 2.342 13 L HA 0.317 4.657 4.340 0.001 0.000 0.285 13 L C 0.602 177.471 176.870 -0.003 0.000 1.095 13 L CA -0.599 54.255 54.840 0.024 0.000 0.843 13 L CB 0.750 42.852 42.059 0.073 0.000 1.201 13 L HN 0.637 nan 8.230 nan 0.000 0.445 14 A N 3.416 126.269 122.820 0.055 0.000 2.591 14 A HA 0.378 4.698 4.320 0.001 0.000 0.244 14 A C 0.754 178.366 177.584 0.047 0.000 1.031 14 A CA 0.985 53.052 52.037 0.050 0.000 0.767 14 A CB -0.148 18.896 19.000 0.072 0.000 0.942 14 A HN 0.893 nan 8.150 nan 0.000 0.514 15 G N 0.760 109.560 108.800 0.000 0.000 2.947 15 G HA2 0.655 4.615 3.960 0.001 0.000 0.293 15 G HA3 0.655 4.615 3.960 0.001 0.000 0.293 15 G C -0.637 174.286 174.900 0.039 0.000 1.243 15 G CA -0.185 44.910 45.100 -0.008 0.000 0.802 15 G HN 1.510 nan 8.290 nan 0.000 0.560 16 I N -2.772 117.823 120.570 0.042 0.000 2.608 16 I HA 0.822 4.992 4.170 0.001 0.000 0.295 16 I C 0.788 176.950 176.117 0.075 0.000 1.049 16 I CA -0.073 61.272 61.300 0.075 0.000 1.063 16 I CB 1.830 39.888 38.000 0.097 0.000 1.248 16 I HN 1.654 nan 8.210 nan 0.000 0.424 17 G N 5.377 114.249 108.800 0.119 0.000 2.652 17 G HA2 -0.234 3.727 3.960 0.001 0.000 0.278 17 G HA3 -0.234 3.727 3.960 0.001 0.000 0.278 17 G C -1.669 173.340 174.900 0.182 0.000 1.263 17 G CA 0.288 45.455 45.100 0.111 0.000 0.966 17 G HN 0.588 nan 8.290 nan 0.000 0.544 18 P HA 0.028 nan 4.420 nan 0.000 0.217 18 P C 2.030 179.436 177.300 0.177 0.000 1.151 18 P CA 2.672 65.848 63.100 0.127 0.000 0.828 18 P CB -0.712 30.983 31.700 -0.008 0.000 0.788 19 G N 1.348 110.197 108.800 0.082 0.000 2.453 19 G HA2 -0.182 3.778 3.960 0.001 0.000 0.215 19 G HA3 -0.182 3.778 3.960 0.001 0.000 0.215 19 G C -0.725 174.224 174.900 0.080 0.000 1.201 19 G CA 1.093 46.220 45.100 0.044 0.000 0.784 19 G HN 0.267 nan 8.290 nan 0.000 0.545 20 P HA -0.087 nan 4.420 nan 0.000 0.218 20 P C 1.267 178.647 177.300 0.134 0.000 1.148 20 P CA 1.383 64.543 63.100 0.101 0.000 0.822 20 P CB -0.088 31.678 31.700 0.110 0.000 0.784 21 H N -0.040 119.099 119.070 0.116 0.000 2.357 21 H HA 0.028 4.584 4.556 0.001 0.000 0.301 21 H C 1.880 177.250 175.328 0.070 0.000 1.082 21 H CA 1.788 57.894 56.048 0.097 0.000 1.342 21 H CB -0.620 29.273 29.762 0.219 0.000 1.389 21 H HN -0.047 nan 8.280 nan 0.000 0.511 22 A N 0.973 123.867 122.820 0.124 0.000 1.858 22 A HA -0.119 4.202 4.320 0.001 0.000 0.216 22 A C 2.625 180.200 177.584 -0.015 0.000 1.190 22 A CA 1.925 53.986 52.037 0.039 0.000 0.617 22 A CB -1.494 17.555 19.000 0.081 0.000 0.827 22 A HN 0.606 nan 8.150 nan 0.000 0.443 23 A N -0.675 122.148 122.820 0.006 0.000 1.908 23 A HA -0.209 4.111 4.320 0.001 0.000 0.218 23 A C 2.299 179.868 177.584 -0.025 0.000 1.181 23 A CA 2.094 54.128 52.037 -0.004 0.000 0.627 23 A CB -0.595 18.411 19.000 0.010 0.000 0.818 23 A HN 0.653 nan 8.150 nan 0.000 0.445 24 M N -0.526 119.046 119.600 -0.046 0.000 2.080 24 M HA -0.151 4.330 4.480 0.001 0.000 0.260 24 M C 1.963 178.202 176.300 -0.101 0.000 1.068 24 M CA 1.972 57.229 55.300 -0.072 0.000 1.109 24 M CB -0.320 32.220 32.600 -0.100 0.000 1.342 24 M HN 0.450 nan 8.290 nan 0.000 0.405 25 I N 0.339 120.814 120.570 -0.159 0.000 2.252 25 I HA -0.324 3.846 4.170 0.001 0.000 0.245 25 I C 2.247 178.325 176.117 -0.064 0.000 1.102 25 I CA 1.046 62.268 61.300 -0.131 0.000 1.385 25 I CB -0.428 37.472 38.000 -0.166 0.000 1.064 25 I HN 0.366 nan 8.210 nan 0.000 0.414 26 L N 0.450 121.643 121.223 -0.051 0.000 2.013 26 L HA -0.196 4.144 4.340 0.001 0.000 0.212 26 L C 2.693 179.541 176.870 -0.037 0.000 1.073 26 L CA 1.858 56.677 54.840 -0.036 0.000 0.753 26 L CB -1.302 40.743 42.059 -0.022 0.000 0.890 26 L HN 0.333 nan 8.230 nan 0.000 0.432 27 G N -0.699 108.084 108.800 -0.030 0.000 2.402 27 G HA2 -0.247 3.713 3.960 0.001 0.000 0.216 27 G HA3 -0.247 3.713 3.960 0.001 0.000 0.216 27 G C 1.101 175.980 174.900 -0.036 0.000 1.162 27 G CA 0.777 45.863 45.100 -0.023 0.000 0.777 27 G HN 0.294 nan 8.290 nan 0.000 0.539 28 D N 0.686 121.061 120.400 -0.041 0.000 2.170 28 D HA -0.115 4.525 4.640 0.001 0.000 0.193 28 D C 2.241 178.517 176.300 -0.041 0.000 1.004 28 D CA 0.776 54.751 54.000 -0.041 0.000 0.860 28 D CB -0.234 40.546 40.800 -0.035 0.000 0.931 28 D HN 0.316 nan 8.370 nan 0.000 0.448 29 L N -1.239 119.954 121.223 -0.050 0.000 2.629 29 L HA 0.272 4.612 4.340 0.001 0.000 0.230 29 L C 1.406 178.198 176.870 -0.130 0.000 1.151 29 L CA 0.387 55.170 54.840 -0.095 0.000 0.924 29 L CB 0.080 42.073 42.059 -0.110 0.000 1.137 29 L HN 0.175 nan 8.230 nan 0.000 0.457 30 G N -0.132 108.617 108.800 -0.085 0.000 2.192 30 G HA2 -0.192 3.768 3.960 0.001 0.000 0.193 30 G HA3 -0.192 3.768 3.960 0.001 0.000 0.193 30 G C 0.428 175.295 174.900 -0.054 0.000 0.999 30 G CA -0.154 44.901 45.100 -0.075 0.000 0.659 30 G HN 0.439 nan 8.290 nan 0.000 0.503 31 A N 0.296 123.088 122.820 -0.047 0.000 2.445 31 A HA 0.479 4.800 4.320 0.001 0.000 0.242 31 A C 0.333 177.926 177.584 0.015 0.000 1.075 31 A CA 0.678 52.701 52.037 -0.025 0.000 0.777 31 A CB 0.345 19.331 19.000 -0.022 0.000 1.013 31 A HN 0.375 nan 8.150 nan 0.000 0.493 32 D N 2.045 122.473 120.400 0.047 0.000 2.422 32 D HA 0.346 4.986 4.640 0.001 0.000 0.227 32 D C -0.722 175.702 176.300 0.207 0.000 1.190 32 D CA 0.141 54.227 54.000 0.144 0.000 0.905 32 D CB 0.222 41.146 40.800 0.208 0.000 1.034 32 D HN 0.108 nan 8.370 nan 0.000 0.507 33 V N 4.282 124.283 119.914 0.144 0.000 2.370 33 V HA 0.314 4.434 4.120 0.001 0.000 0.283 33 V C 0.307 176.466 176.094 0.108 0.000 1.023 33 V CA -0.876 61.501 62.300 0.128 0.000 0.857 33 V CB 1.752 33.610 31.823 0.057 0.000 0.985 33 V HN 0.250 nan 8.190 nan 0.000 0.443 34 V N 5.746 125.733 119.914 0.121 0.000 2.357 34 V HA 0.477 4.597 4.120 0.001 0.000 0.284 34 V C 0.192 176.286 176.094 0.000 0.000 1.018 34 V CA -0.695 61.598 62.300 -0.012 0.000 0.841 34 V CB 1.542 33.243 31.823 -0.204 0.000 0.991 34 V HN 0.891 nan 8.190 nan 0.000 0.437 35 R N 5.505 125.997 120.500 -0.013 0.000 2.207 35 R HA 0.553 4.893 4.340 0.001 0.000 0.334 35 R C -0.821 175.473 176.300 -0.010 0.000 1.013 35 R CA -0.530 55.569 56.100 -0.001 0.000 0.858 35 R CB 0.709 31.013 30.300 0.006 0.000 1.094 35 R HN 0.708 nan 8.270 nan 0.000 0.457 36 I N 4.379 124.951 120.570 0.003 0.000 2.322 36 I HA 0.129 4.299 4.170 0.001 0.000 0.292 36 I C 0.115 176.252 176.117 0.033 0.000 1.060 36 I CA -0.106 61.199 61.300 0.009 0.000 1.309 36 I CB 0.921 38.933 38.000 0.020 0.000 1.415 36 I HN 0.526 nan 8.210 nan 0.000 0.492 37 D N 6.565 126.979 120.400 0.023 0.000 2.228 37 D HA 0.327 4.967 4.640 0.001 0.000 0.247 37 D C -0.035 176.284 176.300 0.031 0.000 0.995 37 D CA -0.631 53.391 54.000 0.036 0.000 0.903 37 D CB 1.644 42.460 40.800 0.027 0.000 1.205 37 D HN 0.363 nan 8.370 nan 0.000 0.459 38 R N 1.974 122.498 120.500 0.039 0.000 2.679 38 R HA 0.232 4.572 4.340 0.001 0.000 0.268 38 R C -1.867 174.443 176.300 0.016 0.000 1.044 38 R CA -0.898 55.218 56.100 0.025 0.000 1.105 38 R CB -0.282 30.035 30.300 0.027 0.000 0.989 38 R HN 0.263 nan 8.270 nan 0.000 0.447 46 S N 5.863 121.565 115.700 0.004 0.000 2.601 46 S HA 0.499 4.969 4.470 0.001 0.000 0.271 46 S C 0.863 175.466 174.600 0.006 0.000 1.305 46 S CA -0.356 57.849 58.200 0.007 0.000 1.022 46 S CB 0.976 64.183 63.200 0.012 0.000 0.940 46 S HN 0.829 nan 8.310 nan 0.000 0.525 47 R N 0.780 121.283 120.500 0.005 0.000 2.509 47 R HA 0.262 4.603 4.340 0.001 0.000 0.300 47 R C -1.052 175.250 176.300 0.003 0.000 0.985 47 R CA -0.494 55.606 56.100 0.001 0.000 1.092 47 R CB -0.494 29.804 30.300 -0.004 0.000 1.237 47 R HN 0.486 nan 8.270 nan 0.000 0.546 48 D N 1.574 121.981 120.400 0.012 0.000 2.393 48 D HA 0.174 4.814 4.640 0.001 0.000 0.232 48 D C 0.853 177.167 176.300 0.022 0.000 1.192 48 D CA -0.409 53.602 54.000 0.017 0.000 0.882 48 D CB 1.588 42.404 40.800 0.028 0.000 1.038 48 D HN 0.145 nan 8.370 nan 0.000 0.499 49 A N 3.219 126.050 122.820 0.018 0.000 2.178 49 A HA -0.196 4.124 4.320 0.001 0.000 0.218 49 A C 1.893 179.505 177.584 0.045 0.000 1.157 49 A CA 0.849 52.906 52.037 0.032 0.000 0.689 49 A CB -0.645 18.365 19.000 0.017 0.000 0.787 49 A HN 0.662 nan 8.150 nan 0.000 0.465 50 M N -0.718 118.906 119.600 0.039 0.000 2.229 50 M HA 0.015 4.495 4.480 0.001 0.000 0.264 50 M C 1.007 177.333 176.300 0.043 0.000 1.063 50 M CA 1.145 56.474 55.300 0.048 0.000 1.114 50 M CB -0.646 31.993 32.600 0.064 0.000 1.387 50 M HN 0.244 nan 8.290 nan 0.000 0.420 51 L N 2.158 123.405 121.223 0.039 0.000 2.682 51 L HA 0.133 4.473 4.340 0.001 0.000 0.240 51 L C 0.987 177.873 176.870 0.026 0.000 1.178 51 L CA -0.380 54.478 54.840 0.031 0.000 0.970 51 L CB -1.124 40.952 42.059 0.028 0.000 1.179 51 L HN 0.361 nan 8.230 nan 0.000 0.435 52 R N -0.371 120.150 120.500 0.034 0.000 2.738 52 R HA 0.052 4.392 4.340 0.001 0.000 0.268 52 R C -0.024 176.285 176.300 0.014 0.000 1.062 52 R CA -0.459 55.661 56.100 0.034 0.000 1.158 52 R CB 0.122 30.461 30.300 0.065 0.000 1.046 52 R HN 0.133 nan 8.270 nan 0.000 0.493 53 N N 0.833 119.535 118.700 0.004 0.000 2.727 53 N HA -0.148 4.593 4.740 0.001 0.000 0.251 53 N C -1.177 174.335 175.510 0.003 0.000 1.040 53 N CA 1.057 54.104 53.050 -0.005 0.000 0.712 53 N CB -0.486 37.992 38.487 -0.015 0.000 0.912 53 N HN 0.612 nan 8.380 nan 0.000 0.545 54 R N 0.199 120.702 120.500 0.005 0.000 2.905 54 R HA 0.540 4.880 4.340 0.001 0.000 0.260 54 R C 0.363 176.660 176.300 -0.004 0.000 1.086 54 R CA -0.686 55.418 56.100 0.006 0.000 0.978 54 R CB 1.349 31.652 30.300 0.005 0.000 1.215 54 R HN 0.092 nan 8.270 nan 0.000 0.480 55 R N 0.702 121.193 120.500 -0.015 0.000 2.445 55 R HA 0.519 4.859 4.340 0.001 0.000 0.308 55 R C -0.299 175.973 176.300 -0.046 0.000 0.961 55 R CA -0.775 55.299 56.100 -0.042 0.000 0.862 55 R CB 1.389 31.642 30.300 -0.079 0.000 1.144 55 R HN 0.342 nan 8.270 nan 0.000 0.447 56 I N 4.849 125.395 120.570 -0.040 0.000 2.336 56 I HA 0.263 4.433 4.170 0.001 0.000 0.292 56 I C 0.340 176.428 176.117 -0.049 0.000 0.991 56 I CA -0.537 60.742 61.300 -0.034 0.000 1.227 56 I CB 1.351 39.340 38.000 -0.017 0.000 1.366 56 I HN 0.374 nan 8.210 nan 0.000 0.466 57 V N 2.984 122.866 119.914 -0.054 0.000 2.960 57 V HA 0.760 4.880 4.120 0.001 0.000 0.315 57 V C -0.362 175.712 176.094 -0.034 0.000 1.087 57 V CA -0.426 61.840 62.300 -0.057 0.000 0.982 57 V CB 2.109 33.877 31.823 -0.090 0.000 1.039 57 V HN 0.749 nan 8.190 nan 0.000 0.437 58 T N 1.544 116.082 114.554 -0.028 0.000 2.863 58 T HA 0.889 5.239 4.350 0.001 0.000 0.285 58 T C -0.554 174.139 174.700 -0.012 0.000 1.009 58 T CA 0.302 62.394 62.100 -0.013 0.000 0.989 58 T CB 1.310 70.173 68.868 -0.008 0.000 1.004 58 T HN 1.866 nan 8.240 nan 0.000 0.455 59 A N 2.718 125.536 122.820 -0.003 0.000 2.594 59 A HA 0.567 4.888 4.320 0.001 0.000 0.296 59 A C -1.604 175.982 177.584 0.004 0.000 1.061 59 A CA -0.733 51.303 52.037 -0.002 0.000 0.689 59 A CB 1.582 20.580 19.000 -0.003 0.000 1.280 59 A HN 0.679 nan 8.150 nan 0.000 0.406 60 D N 2.220 122.621 120.400 0.001 0.000 2.441 60 D HA 0.374 5.014 4.640 0.001 0.000 0.221 60 D C 0.847 177.147 176.300 0.001 0.000 1.156 60 D CA -0.262 53.738 54.000 -0.000 0.000 0.896 60 D CB 0.272 41.071 40.800 -0.002 0.000 1.028 60 D HN 0.413 nan 8.370 nan 0.000 0.509 61 L N 2.908 124.131 121.223 0.000 0.000 2.362 61 L HA -0.065 4.275 4.340 0.001 0.000 0.219 61 L C 2.078 178.946 176.870 -0.004 0.000 1.134 61 L CA 0.689 55.531 54.840 0.004 0.000 0.807 61 L CB -0.112 41.951 42.059 0.007 0.000 0.927 61 L HN 0.286 nan 8.230 nan 0.000 0.447 62 K N -0.012 120.381 120.400 -0.012 0.000 2.305 62 K HA 0.010 4.330 4.320 0.001 0.000 0.199 62 K C 1.150 177.748 176.600 -0.005 0.000 1.047 62 K CA 0.383 56.663 56.287 -0.012 0.000 0.976 62 K CB 0.120 32.609 32.500 -0.019 0.000 0.765 62 K HN 0.340 nan 8.250 nan 0.000 0.474 63 S N 0.747 116.446 115.700 -0.002 0.000 2.632 63 S HA 0.095 4.565 4.470 0.001 0.000 0.267 63 S C 0.511 175.113 174.600 0.003 0.000 1.276 63 S CA -0.839 57.361 58.200 0.000 0.000 0.998 63 S CB 1.289 64.489 63.200 -0.000 0.000 0.953 63 S HN -0.041 nan 8.310 nan 0.000 0.547 64 D N 0.593 120.996 120.400 0.004 0.000 2.104 64 D HA -0.159 4.481 4.640 0.001 0.000 0.194 64 D C 1.914 178.219 176.300 0.007 0.000 0.994 64 D CA 1.626 55.629 54.000 0.006 0.000 0.830 64 D CB -0.340 40.464 40.800 0.005 0.000 0.959 64 D HN 0.801 nan 8.370 nan 0.000 0.452 65 Q N 0.361 120.164 119.800 0.005 0.000 2.046 65 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 65 Q C 2.152 178.155 176.000 0.005 0.000 0.975 65 Q CA 1.752 57.558 55.803 0.004 0.000 0.836 65 Q CB -0.337 28.402 28.738 0.001 0.000 0.896 65 Q HN 0.256 nan 8.270 nan 0.000 0.428 66 G N 1.486 110.289 108.800 0.004 0.000 2.418 66 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 66 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 66 G C 1.382 176.289 174.900 0.012 0.000 1.158 66 G CA 0.857 45.960 45.100 0.005 0.000 0.771 66 G HN 0.397 nan 8.290 nan 0.000 0.545 67 L N 0.799 122.031 121.223 0.015 0.000 2.046 67 L HA -0.004 4.337 4.340 0.001 0.000 0.208 67 L C 2.580 179.466 176.870 0.026 0.000 1.077 67 L CA 2.652 57.505 54.840 0.023 0.000 0.747 67 L CB -0.588 41.484 42.059 0.022 0.000 0.896 67 L HN 0.459 nan 8.230 nan 0.000 0.432 68 E N -0.513 119.699 120.200 0.020 0.000 2.077 68 E HA -0.238 4.112 4.350 0.001 0.000 0.193 68 E C 2.154 178.767 176.600 0.022 0.000 0.989 68 E CA 1.756 58.169 56.400 0.021 0.000 0.800 68 E CB -0.224 29.485 29.700 0.015 0.000 0.746 68 E HN 0.620 nan 8.360 nan 0.000 0.452 69 L N 0.556 121.788 121.223 0.015 0.000 2.044 69 L HA -0.081 4.259 4.340 0.001 0.000 0.205 69 L C 2.786 179.667 176.870 0.018 0.000 1.075 69 L CA 1.028 55.875 54.840 0.010 0.000 0.747 69 L CB -0.534 41.523 42.059 -0.004 0.000 0.903 69 L HN 0.187 nan 8.230 nan 0.000 0.435 70 A N 0.275 123.108 122.820 0.021 0.000 1.927 70 A HA -0.235 4.085 4.320 0.001 0.000 0.220 70 A C 2.282 179.898 177.584 0.053 0.000 1.185 70 A CA 1.855 53.912 52.037 0.033 0.000 0.639 70 A CB -0.922 18.101 19.000 0.038 0.000 0.820 70 A HN 0.386 nan 8.150 nan 0.000 0.451 71 L N -1.176 120.079 121.223 0.053 0.000 2.141 71 L HA -0.169 4.171 4.340 0.001 0.000 0.209 71 L C 2.565 179.476 176.870 0.069 0.000 1.094 71 L CA 1.446 56.324 54.840 0.063 0.000 0.763 71 L CB -0.326 41.766 42.059 0.056 0.000 0.908 71 L HN 0.393 nan 8.230 nan 0.000 0.437 72 K N -0.456 119.981 120.400 0.061 0.000 2.103 72 K HA -0.161 4.159 4.320 0.001 0.000 0.204 72 K C 2.018 178.685 176.600 0.112 0.000 1.052 72 K CA 0.887 57.216 56.287 0.070 0.000 0.945 72 K CB -0.077 32.453 32.500 0.050 0.000 0.722 72 K HN 0.072 nan 8.250 nan 0.000 0.443 73 L N 1.500 122.788 121.223 0.109 0.000 1.994 73 L HA -0.137 4.204 4.340 0.001 0.000 0.208 73 L C 2.018 179.052 176.870 0.273 0.000 1.071 73 L CA 1.529 56.477 54.840 0.181 0.000 0.745 73 L CB -0.293 41.807 42.059 0.069 0.000 0.892 73 L HN 0.135 nan 8.230 nan 0.000 0.431 74 I N -0.848 119.821 120.570 0.166 0.000 2.264 74 I HA -0.314 3.856 4.170 0.001 0.000 0.248 74 I C 2.448 178.628 176.117 0.106 0.000 1.111 74 I CA 1.176 62.555 61.300 0.132 0.000 1.382 74 I CB -0.611 37.444 38.000 0.091 0.000 1.060 74 I HN 0.288 nan 8.210 nan 0.000 0.418 75 A N 0.083 122.963 122.820 0.099 0.000 2.070 75 A HA -0.154 4.167 4.320 0.001 0.000 0.220 75 A C 2.075 179.690 177.584 0.051 0.000 1.159 75 A CA 1.400 53.478 52.037 0.068 0.000 0.656 75 A CB -0.202 18.836 19.000 0.063 0.000 0.800 75 A HN 0.226 nan 8.150 nan 0.000 0.453 76 K N -0.629 119.824 120.400 0.089 0.000 2.358 76 K HA 0.389 4.710 4.320 0.001 0.000 0.197 76 K C 0.499 176.982 176.600 -0.194 0.000 1.025 76 K CA 0.596 56.894 56.287 0.018 0.000 1.104 76 K CB 0.232 32.838 32.500 0.177 0.000 0.855 76 K HN 0.446 nan 8.250 nan 0.000 0.531 77 A N 0.782 123.534 122.820 -0.112 0.000 2.256 77 A HA 0.310 4.630 4.320 0.001 0.000 0.318 77 A C 0.388 177.877 177.584 -0.158 0.000 1.103 77 A CA -0.411 51.496 52.037 -0.217 0.000 0.860 77 A CB 0.735 19.732 19.000 -0.005 0.000 1.182 77 A HN 0.005 nan 8.150 nan 0.000 0.501 78 D N -1.016 119.286 120.400 -0.162 0.000 2.394 78 D HA 0.178 4.819 4.640 0.001 0.000 0.226 78 D C -0.144 176.127 176.300 -0.049 0.000 0.990 78 D CA 1.216 55.157 54.000 -0.100 0.000 0.902 78 D CB 0.646 41.377 40.800 -0.115 0.000 1.038 78 D HN 0.210 nan 8.370 nan 0.000 0.499 79 V N 1.574 121.462 119.914 -0.044 0.000 2.789 79 V HA 0.388 4.508 4.120 0.001 0.000 0.311 79 V C -0.949 175.122 176.094 -0.038 0.000 1.073 79 V CA -0.940 61.344 62.300 -0.027 0.000 0.921 79 V CB 2.889 34.700 31.823 -0.021 0.000 1.009 79 V HN -0.063 nan 8.190 nan 0.000 0.426 80 L N 5.168 126.335 121.223 -0.093 0.000 2.356 80 L HA 0.698 5.038 4.340 0.001 0.000 0.277 80 L C -0.895 175.842 176.870 -0.222 0.000 0.996 80 L CA 0.027 54.758 54.840 -0.181 0.000 0.822 80 L CB 1.432 43.283 42.059 -0.346 0.000 1.256 80 L HN 0.577 nan 8.230 nan 0.000 0.413 81 I N 4.451 124.926 120.570 -0.158 0.000 2.354 81 I HA 0.496 4.667 4.170 0.001 0.000 0.292 81 I C -0.760 175.249 176.117 -0.181 0.000 0.989 81 I CA -0.456 60.762 61.300 -0.137 0.000 1.188 81 I CB 1.724 39.682 38.000 -0.070 0.000 1.342 81 I HN 0.730 nan 8.210 nan 0.000 0.457 82 E N 4.139 124.223 120.200 -0.192 0.000 2.356 82 E HA 0.677 5.027 4.350 0.001 0.000 0.275 82 E C -0.383 176.066 176.600 -0.251 0.000 0.904 82 E CA -0.898 55.346 56.400 -0.258 0.000 0.757 82 E CB 1.824 31.433 29.700 -0.151 0.000 1.232 82 E HN 0.551 nan 8.360 nan 0.000 0.442 83 G N 1.500 110.016 108.800 -0.473 0.000 4.238 83 G HA2 0.222 4.183 3.960 0.001 0.000 0.292 83 G HA3 0.222 4.183 3.960 0.001 0.000 0.292 83 G C -0.880 173.871 174.900 -0.249 0.000 1.036 83 G CA -0.323 44.600 45.100 -0.293 0.000 0.812 83 G HN 0.370 nan 8.290 nan 0.000 0.489 84 Y N 0.244 120.565 120.300 0.035 0.000 2.344 84 Y HA 0.491 5.041 4.550 0.000 0.000 0.330 84 Y C 1.291 177.214 175.900 0.038 0.000 1.330 84 Y CA -1.036 57.086 58.100 0.036 0.000 1.479 84 Y CB 0.766 39.253 38.460 0.044 0.000 1.428 84 Y HN -0.154 nan 8.280 nan 0.000 0.544 85 R N 1.434 122.068 120.500 0.223 0.000 2.640 85 R HA 0.066 4.406 4.340 0.001 0.000 0.270 85 R C -2.482 173.903 176.300 0.141 0.000 1.024 85 R CA -1.471 54.715 56.100 0.145 0.000 1.085 85 R CB -0.257 30.112 30.300 0.116 0.000 0.963 85 R HN 0.266 nan 8.270 nan 0.000 0.426 86 P HA -0.107 nan 4.420 nan 0.000 0.263 86 P C 0.561 177.909 177.300 0.079 0.000 1.175 86 P CA 1.197 64.351 63.100 0.091 0.000 0.761 86 P CB 0.558 32.300 31.700 0.070 0.000 0.794 87 G N 1.095 109.939 108.800 0.074 0.000 2.258 87 G HA2 -0.305 3.655 3.960 0.001 0.000 0.233 87 G HA3 -0.305 3.655 3.960 0.001 0.000 0.233 87 G C 1.038 175.972 174.900 0.058 0.000 1.006 87 G CA 0.206 45.339 45.100 0.054 0.000 0.620 87 G HN 0.399 nan 8.290 nan 0.000 0.511 88 V N 2.061 122.023 119.914 0.080 0.000 2.270 88 V HA -0.158 3.963 4.120 0.001 0.000 0.245 88 V C 3.260 179.382 176.094 0.047 0.000 1.043 88 V CA 3.587 65.909 62.300 0.038 0.000 1.014 88 V CB -1.116 30.718 31.823 0.019 0.000 0.645 88 V HN 0.906 nan 8.190 nan 0.000 0.447 89 T N -1.697 112.945 114.554 0.145 0.000 2.788 89 T HA -0.235 4.115 4.350 0.001 0.000 0.268 89 T C 1.646 176.416 174.700 0.117 0.000 1.044 89 T CA 1.686 63.891 62.100 0.174 0.000 1.139 89 T CB -0.405 68.654 68.868 0.319 0.000 0.867 89 T HN 0.446 nan 8.240 nan 0.000 0.454 90 E N 1.245 121.498 120.200 0.088 0.000 2.070 90 E HA -0.067 4.283 4.350 0.001 0.000 0.197 90 E C 2.543 179.163 176.600 0.034 0.000 1.004 90 E CA 1.228 57.656 56.400 0.047 0.000 0.805 90 E CB -0.216 29.500 29.700 0.026 0.000 0.744 90 E HN 0.523 nan 8.360 nan 0.000 0.451 91 R N -0.188 120.328 120.500 0.027 0.000 2.148 91 R HA 0.020 4.360 4.340 0.001 0.000 0.223 91 R C 2.183 178.489 176.300 0.010 0.000 1.088 91 R CA 0.654 56.762 56.100 0.012 0.000 0.985 91 R CB -0.153 30.149 30.300 0.003 0.000 0.880 91 R HN 0.201 nan 8.270 nan 0.000 0.451 92 L N -0.682 120.550 121.223 0.014 0.000 2.376 92 L HA 0.048 4.389 4.340 0.001 0.000 0.219 92 L C 1.243 178.130 176.870 0.029 0.000 1.133 92 L CA 0.838 55.685 54.840 0.012 0.000 0.816 92 L CB -0.023 42.040 42.059 0.007 0.000 0.933 92 L HN 0.492 nan 8.230 nan 0.000 0.449 93 G N -0.127 108.697 108.800 0.041 0.000 2.141 93 G HA2 -0.257 3.703 3.960 0.001 0.000 0.231 93 G HA3 -0.257 3.703 3.960 0.001 0.000 0.231 93 G C 0.437 175.379 174.900 0.070 0.000 0.984 93 G CA -0.020 45.107 45.100 0.045 0.000 0.660 93 G HN 0.285 nan 8.290 nan 0.000 0.525 94 L N 0.993 122.277 121.223 0.101 0.000 3.066 94 L HA 0.426 4.766 4.340 0.001 0.000 0.265 94 L C 1.694 178.717 176.870 0.254 0.000 1.232 94 L CA -0.063 54.873 54.840 0.160 0.000 1.031 94 L CB 0.356 42.507 42.059 0.154 0.000 1.379 94 L HN 0.305 nan 8.230 nan 0.000 0.563 95 G N 0.573 109.465 108.800 0.153 0.000 2.636 95 G HA2 0.146 4.106 3.960 0.001 0.000 0.246 95 G HA3 0.146 4.106 3.960 0.001 0.000 0.246 95 G C -1.753 173.108 174.900 -0.065 0.000 1.216 95 G CA -0.743 44.394 45.100 0.061 0.000 0.854 95 G HN -0.005 nan 8.290 nan 0.000 0.572 96 P HA -0.124 nan 4.420 nan 0.000 0.216 96 P C 1.514 178.711 177.300 -0.172 0.000 1.153 96 P CA 1.452 64.202 63.100 -0.583 0.000 0.858 96 P CB 0.235 31.531 31.700 -0.673 0.000 0.789 97 E N -0.853 119.277 120.200 -0.117 0.000 2.150 97 E HA -0.163 4.187 4.350 0.001 0.000 0.193 97 E C 1.922 178.517 176.600 -0.010 0.000 0.985 97 E CA 0.731 57.101 56.400 -0.050 0.000 0.814 97 E CB -0.231 29.444 29.700 -0.042 0.000 0.752 97 E HN 0.296 nan 8.360 nan 0.000 0.466 98 E N 0.210 120.415 120.200 0.008 0.000 2.072 98 E HA -0.113 4.238 4.350 0.001 0.000 0.190 98 E C 2.207 178.844 176.600 0.062 0.000 0.982 98 E CA 0.562 56.984 56.400 0.037 0.000 0.803 98 E CB -0.501 29.229 29.700 0.049 0.000 0.755 98 E HN 0.265 nan 8.360 nan 0.000 0.453 99 C N 1.060 120.421 119.300 0.102 0.000 2.425 99 C HA -0.037 4.424 4.460 0.001 0.000 0.277 99 C C 2.828 177.875 174.990 0.095 0.000 1.280 99 C CA 0.743 59.845 59.018 0.139 0.000 1.744 99 C CB -1.015 26.892 27.740 0.279 0.000 1.989 99 C HN 0.475 nan 8.230 nan 0.000 0.491 100 A N 0.614 123.471 122.820 0.062 0.000 1.908 100 A HA -0.227 4.094 4.320 0.001 0.000 0.218 100 A C 2.123 179.725 177.584 0.031 0.000 1.181 100 A CA 1.698 53.758 52.037 0.039 0.000 0.627 100 A CB -0.476 18.531 19.000 0.012 0.000 0.818 100 A HN 0.697 nan 8.150 nan 0.000 0.445 101 K N -0.418 119.999 120.400 0.028 0.000 2.211 101 K HA -0.122 4.199 4.320 0.001 0.000 0.204 101 K C 1.755 178.371 176.600 0.027 0.000 1.047 101 K CA 1.639 57.940 56.287 0.023 0.000 0.935 101 K CB -0.301 32.212 32.500 0.021 0.000 0.728 101 K HN 0.596 nan 8.250 nan 0.000 0.452 102 V N -2.671 117.265 119.914 0.038 0.000 3.307 102 V HA 0.098 4.218 4.120 0.001 0.000 0.253 102 V C 0.346 176.462 176.094 0.035 0.000 1.149 102 V CA 0.339 62.662 62.300 0.038 0.000 1.112 102 V CB -0.200 31.652 31.823 0.048 0.000 0.777 102 V HN 0.280 nan 8.190 nan 0.000 0.464 103 N N 1.039 119.762 118.700 0.039 0.000 2.932 103 N HA 0.106 4.846 4.740 0.001 0.000 0.242 103 N C -0.409 175.120 175.510 0.032 0.000 1.351 103 N CA 0.380 53.449 53.050 0.031 0.000 0.785 103 N CB 1.122 39.632 38.487 0.037 0.000 1.501 103 N HN 0.394 nan 8.380 nan 0.000 0.584 104 D N 2.070 122.481 120.400 0.019 0.000 2.336 104 D HA -0.012 4.629 4.640 0.001 0.000 0.229 104 D C 0.847 177.155 176.300 0.012 0.000 1.061 104 D CA 0.309 54.319 54.000 0.017 0.000 0.875 104 D CB 0.185 40.990 40.800 0.008 0.000 0.904 104 D HN 0.466 nan 8.370 nan 0.000 0.525 105 R N -0.597 119.907 120.500 0.007 0.000 2.334 105 R HA 0.240 4.581 4.340 0.001 0.000 0.216 105 R C 0.138 176.441 176.300 0.006 0.000 0.905 105 R CA -0.608 55.490 56.100 -0.003 0.000 1.064 105 R CB 0.222 30.509 30.300 -0.021 0.000 1.046 105 R HN 0.136 nan 8.270 nan 0.000 0.508 106 L N 2.174 123.415 121.223 0.029 0.000 2.455 106 L HA 0.107 4.448 4.340 0.001 0.000 0.272 106 L C -0.314 176.599 176.870 0.072 0.000 1.174 106 L CA 0.190 55.058 54.840 0.047 0.000 0.869 106 L CB 0.486 42.593 42.059 0.082 0.000 1.130 106 L HN -0.043 nan 8.230 nan 0.000 0.474 107 I N 6.473 127.076 120.570 0.055 0.000 2.291 107 I HA 0.066 4.236 4.170 0.001 0.000 0.292 107 I C -0.486 175.692 176.117 0.102 0.000 1.064 107 I CA -0.081 61.264 61.300 0.075 0.000 1.269 107 I CB -0.401 37.626 38.000 0.046 0.000 1.418 107 I HN 0.581 nan 8.210 nan 0.000 0.485 108 Y N 5.778 126.091 120.300 0.020 0.000 2.518 108 Y HA 0.581 5.131 4.550 0.000 0.000 0.344 108 Y C 0.252 176.165 175.900 0.023 0.000 0.982 108 Y CA -0.703 57.411 58.100 0.024 0.000 1.234 108 Y CB 0.893 39.369 38.460 0.026 0.000 1.114 108 Y HN 0.673 nan 8.280 nan 0.000 0.515 109 A N 7.588 130.449 122.820 0.068 0.000 2.253 109 A HA 0.561 4.881 4.320 0.001 0.000 0.316 109 A C -0.588 177.032 177.584 0.060 0.000 1.327 109 A CA -0.841 51.240 52.037 0.072 0.000 0.917 109 A CB 0.265 19.277 19.000 0.020 0.000 1.162 109 A HN 0.847 nan 8.150 nan 0.000 0.535 110 R N 2.629 123.201 120.500 0.120 0.000 2.275 110 R HA 0.373 4.713 4.340 0.001 0.000 0.326 110 R C -0.987 175.336 176.300 0.038 0.000 0.973 110 R CA -0.551 55.614 56.100 0.108 0.000 0.854 110 R CB 1.397 31.797 30.300 0.168 0.000 1.156 110 R HN 0.701 nan 8.270 nan 0.000 0.487 111 M N 3.213 122.808 119.600 -0.008 0.000 2.061 111 M HA 0.192 4.672 4.480 0.001 0.000 0.346 111 M C -0.532 175.723 176.300 -0.076 0.000 1.112 111 M CA 0.038 55.317 55.300 -0.036 0.000 1.021 111 M CB 1.116 33.695 32.600 -0.036 0.000 1.530 111 M HN 0.705 nan 8.290 nan 0.000 0.437 112 T N 0.792 115.276 114.554 -0.116 0.000 2.804 112 T HA 0.781 5.131 4.350 0.001 0.000 0.290 112 T C 0.527 174.979 174.700 -0.414 0.000 1.099 112 T CA -0.423 61.563 62.100 -0.190 0.000 1.011 112 T CB 1.255 70.062 68.868 -0.101 0.000 1.291 112 T HN 0.504 nan 8.240 nan 0.000 0.523 113 G N -1.107 107.240 108.800 -0.754 0.000 2.486 113 G HA2 0.123 4.083 3.960 0.001 0.000 0.210 113 G HA3 0.123 4.083 3.960 0.001 0.000 0.210 113 G C 0.745 174.981 174.900 -1.107 0.000 1.168 113 G CA -0.381 43.637 45.100 -1.803 0.000 0.820 113 G HN 0.801 nan 8.290 nan 0.000 0.544 114 W N 0.607 121.653 121.300 -0.425 0.000 2.942 114 W HA 0.440 5.100 4.660 0.001 0.000 0.263 114 W C 1.411 177.858 176.519 -0.119 0.000 1.296 114 W CA 0.192 57.439 57.345 -0.164 0.000 1.504 114 W CB 0.606 30.051 29.460 -0.025 0.000 1.096 114 W HN 0.530 nan 8.180 nan 0.000 0.639 115 G N 0.347 109.183 108.800 0.060 0.000 2.549 115 G HA2 -0.227 3.734 3.960 0.001 0.000 0.404 115 G HA3 -0.227 3.734 3.960 0.001 0.000 0.404 115 G C 0.191 175.123 174.900 0.055 0.000 1.292 115 G CA -0.338 44.784 45.100 0.036 0.000 0.935 115 G HN -0.021 nan 8.290 nan 0.000 0.512 116 Q N -0.269 119.553 119.800 0.037 0.000 2.398 116 Q HA 0.156 4.497 4.340 0.001 0.000 0.204 116 Q C 1.513 177.532 176.000 0.033 0.000 0.932 116 Q CA 1.829 57.654 55.803 0.036 0.000 0.916 116 Q CB 0.353 29.105 28.738 0.023 0.000 1.024 116 Q HN 1.108 nan 8.270 nan 0.000 0.504 117 T N -3.238 111.333 114.554 0.029 0.000 2.883 117 T HA 0.762 5.112 4.350 0.001 0.000 0.296 117 T C 0.105 174.811 174.700 0.010 0.000 1.117 117 T CA -0.370 61.739 62.100 0.014 0.000 1.006 117 T CB 2.517 71.387 68.868 0.003 0.000 1.191 117 T HN 0.267 nan 8.240 nan 0.000 0.508 118 G N 1.401 110.195 108.800 -0.009 0.000 2.515 118 G HA2 0.142 4.102 3.960 0.001 0.000 0.686 118 G HA3 0.142 4.102 3.960 0.001 0.000 0.686 118 G C -2.284 172.582 174.900 -0.057 0.000 1.274 118 G CA -0.332 44.748 45.100 -0.032 0.000 0.874 118 G HN 0.663 nan 8.290 nan 0.000 0.631 119 P HA -0.106 nan 4.420 nan 0.000 0.217 119 P C 1.409 178.616 177.300 -0.155 0.000 1.148 119 P CA 1.218 64.255 63.100 -0.106 0.000 0.828 119 P CB 0.053 31.683 31.700 -0.117 0.000 0.783 120 R N -0.397 119.955 120.500 -0.247 0.000 2.334 120 R HA 0.119 4.459 4.340 0.001 0.000 0.216 120 R C 2.185 178.393 176.300 -0.153 0.000 0.905 120 R CA 0.490 56.354 56.100 -0.393 0.000 1.064 120 R CB -0.256 29.418 30.300 -1.044 0.000 1.046 120 R HN 0.269 nan 8.270 nan 0.000 0.508 121 S N 0.390 116.084 115.700 -0.010 0.000 2.442 121 S HA -0.125 4.346 4.470 0.001 0.000 0.236 121 S C 1.602 176.284 174.600 0.136 0.000 1.007 121 S CA 0.791 59.058 58.200 0.112 0.000 0.965 121 S CB 0.099 63.340 63.200 0.068 0.000 0.773 121 S HN 0.194 nan 8.310 nan 0.000 0.504 122 Q N 0.618 120.471 119.800 0.088 0.000 2.319 122 Q HA 0.294 4.634 4.340 0.001 0.000 0.202 122 Q C 0.324 176.395 176.000 0.119 0.000 0.896 122 Q CA 0.088 55.946 55.803 0.092 0.000 0.942 122 Q CB 0.174 28.942 28.738 0.050 0.000 1.083 122 Q HN 0.754 nan 8.270 nan 0.000 0.510 123 Q N 0.286 120.184 119.800 0.163 0.000 2.261 123 Q HA 0.467 4.807 4.340 0.001 0.000 0.252 123 Q C -0.665 175.512 176.000 0.295 0.000 0.915 123 Q CA -0.325 55.590 55.803 0.186 0.000 0.915 123 Q CB 1.123 29.930 28.738 0.115 0.000 1.204 123 Q HN 0.197 nan 8.270 nan 0.000 0.421 124 A N 2.458 125.392 122.820 0.190 0.000 2.507 124 A HA 0.547 4.867 4.320 0.001 0.000 0.235 124 A C 0.342 178.025 177.584 0.165 0.000 1.070 124 A CA 0.793 52.910 52.037 0.134 0.000 0.768 124 A CB 0.100 19.149 19.000 0.082 0.000 1.011 124 A HN 0.879 nan 8.150 nan 0.000 0.502 125 G N 0.118 108.892 108.800 -0.042 0.000 2.451 125 G HA2 0.553 4.514 3.960 0.001 0.000 0.292 125 G HA3 0.553 4.514 3.960 0.001 0.000 0.292 125 G C -1.299 173.212 174.900 -0.649 0.000 1.427 125 G CA -0.705 44.254 45.100 -0.236 0.000 0.792 125 G HN 0.890 nan 8.290 nan 0.000 0.498 126 H N -0.923 117.813 119.070 -0.556 0.000 2.931 126 H HA 0.362 4.918 4.556 0.000 0.000 0.331 126 H C 0.648 175.527 175.328 -0.748 0.000 1.273 126 H CA -0.219 55.561 56.048 -0.447 0.000 1.171 126 H CB 2.278 31.910 29.762 -0.216 0.000 1.898 126 H HN 0.640 nan 8.280 nan 0.000 0.562 127 D N 0.804 121.089 120.400 -0.193 0.000 2.154 127 D HA -0.192 4.448 4.640 0.001 0.000 0.190 127 D C 1.859 178.025 176.300 -0.223 0.000 1.003 127 D CA 1.706 55.620 54.000 -0.144 0.000 0.849 127 D CB 0.064 40.808 40.800 -0.094 0.000 0.942 127 D HN 0.503 nan 8.370 nan 0.000 0.446 128 I N 0.333 120.800 120.570 -0.172 0.000 2.335 128 I HA -0.313 3.857 4.170 0.001 0.000 0.251 128 I C 1.701 177.735 176.117 -0.138 0.000 1.129 128 I CA 1.437 62.670 61.300 -0.111 0.000 1.402 128 I CB -0.143 37.817 38.000 -0.067 0.000 1.069 128 I HN 0.076 nan 8.210 nan 0.000 0.424 129 N N -0.548 117.969 118.700 -0.305 0.000 2.171 129 N HA -0.195 4.545 4.740 0.001 0.000 0.184 129 N C 1.589 176.992 175.510 -0.179 0.000 1.021 129 N CA 1.435 54.352 53.050 -0.221 0.000 0.854 129 N CB -0.270 38.066 38.487 -0.253 0.000 0.994 129 N HN 0.306 nan 8.380 nan 0.000 0.426 130 Y N 1.330 121.456 120.300 -0.291 0.000 2.200 130 Y HA -0.032 4.518 4.550 0.001 0.000 0.290 130 Y C 2.089 177.960 175.900 -0.048 0.000 1.137 130 Y CA 0.372 58.232 58.100 -0.401 0.000 1.163 130 Y CB -0.903 37.229 38.460 -0.545 0.000 0.988 130 Y HN 0.168 nan 8.280 nan 0.000 0.518 131 I N -1.868 118.750 120.570 0.079 0.000 3.251 131 I HA -0.019 4.151 4.170 0.001 0.000 0.277 131 I C 2.090 178.279 176.117 0.120 0.000 1.268 131 I CA 1.167 62.525 61.300 0.098 0.000 1.449 131 I CB -0.511 37.525 38.000 0.060 0.000 1.083 131 I HN 0.153 nan 8.210 nan 0.000 0.464 132 S N 1.403 117.177 115.700 0.123 0.000 2.436 132 S HA -0.026 4.445 4.470 0.001 0.000 0.228 132 S C 1.827 176.535 174.600 0.180 0.000 1.014 132 S CA 0.458 58.741 58.200 0.139 0.000 0.950 132 S CB -0.447 62.822 63.200 0.116 0.000 0.784 132 S HN 0.478 nan 8.310 nan 0.000 0.504 133 L N 2.723 124.094 121.223 0.247 0.000 2.509 133 L HA 0.313 4.653 4.340 0.001 0.000 0.222 133 L C 1.502 178.503 176.870 0.217 0.000 1.123 133 L CA 0.976 55.967 54.840 0.251 0.000 0.856 133 L CB -0.355 41.934 42.059 0.382 0.000 0.985 133 L HN 0.733 nan 8.230 nan 0.000 0.456 134 N N -2.775 116.060 118.700 0.225 0.000 2.197 134 N HA 0.206 4.947 4.740 0.001 0.000 0.228 134 N C 1.089 176.777 175.510 0.296 0.000 1.212 134 N CA 0.557 53.760 53.050 0.255 0.000 0.883 134 N CB 0.820 39.443 38.487 0.226 0.000 1.107 134 N HN 0.063 nan 8.380 nan 0.000 0.519 135 G N 1.344 110.260 108.800 0.193 0.000 2.195 135 G HA2 -0.277 3.683 3.960 0.001 0.000 0.246 135 G HA3 -0.277 3.683 3.960 0.001 0.000 0.246 135 G C 0.687 175.643 174.900 0.093 0.000 0.984 135 G CA 0.353 45.519 45.100 0.110 0.000 0.633 135 G HN 0.317 nan 8.290 nan 0.000 0.525 136 I N -0.112 120.526 120.570 0.113 0.000 2.162 136 I HA -0.037 4.133 4.170 0.001 0.000 0.238 136 I C 2.604 178.776 176.117 0.092 0.000 1.076 136 I CA 1.557 62.904 61.300 0.079 0.000 1.353 136 I CB -0.348 37.699 38.000 0.079 0.000 1.063 136 I HN 0.264 nan 8.210 nan 0.000 0.408 137 L N 0.442 121.725 121.223 0.101 0.000 2.083 137 L HA -0.271 4.069 4.340 0.001 0.000 0.209 137 L C 2.657 179.582 176.870 0.092 0.000 1.083 137 L CA 1.938 56.826 54.840 0.079 0.000 0.752 137 L CB -1.060 41.041 42.059 0.070 0.000 0.899 137 L HN 0.308 nan 8.230 nan 0.000 0.433 138 H N -0.212 118.882 119.070 0.040 0.000 2.426 138 H HA -0.134 4.423 4.556 0.000 0.000 0.298 138 H C 1.706 177.058 175.328 0.040 0.000 1.107 138 H CA 1.484 57.553 56.048 0.036 0.000 1.298 138 H CB 0.266 30.050 29.762 0.036 0.000 1.377 138 H HN 0.493 nan 8.280 nan 0.000 0.519 139 A N 0.426 123.347 122.820 0.168 0.000 2.238 139 A HA 0.205 4.525 4.320 0.001 0.000 0.208 139 A C 1.012 178.659 177.584 0.105 0.000 1.177 139 A CA -0.100 52.041 52.037 0.173 0.000 0.804 139 A CB 0.026 19.142 19.000 0.193 0.000 0.823 139 A HN 0.250 nan 8.150 nan 0.000 0.482 140 I N -0.126 120.470 120.570 0.043 0.000 2.378 140 I HA 0.583 4.753 4.170 0.001 0.000 0.291 140 I C 0.615 176.724 176.117 -0.014 0.000 0.992 140 I CA 0.090 61.407 61.300 0.028 0.000 1.154 140 I CB 1.542 39.559 38.000 0.029 0.000 1.315 140 I HN 0.347 nan 8.210 nan 0.000 0.448 141 G N 5.149 113.938 108.800 -0.018 0.000 2.371 141 G HA2 -0.040 3.920 3.960 0.001 0.000 0.663 141 G HA3 -0.040 3.920 3.960 0.001 0.000 0.663 141 G C -1.089 173.777 174.900 -0.056 0.000 1.311 141 G CA -1.143 43.930 45.100 -0.044 0.000 0.985 141 G HN 0.413 nan 8.290 nan 0.000 0.566 142 R N 0.125 120.585 120.500 -0.067 0.000 2.594 142 R HA 0.444 4.784 4.340 0.001 0.000 0.272 142 R C 1.874 178.133 176.300 -0.069 0.000 1.074 142 R CA 0.162 56.220 56.100 -0.070 0.000 1.105 142 R CB 0.449 30.706 30.300 -0.071 0.000 1.008 142 R HN 1.130 nan 8.270 nan 0.000 0.472 143 G N 1.500 110.261 108.800 -0.065 0.000 2.450 143 G HA2 -0.263 3.697 3.960 0.001 0.000 0.220 143 G HA3 -0.263 3.697 3.960 0.001 0.000 0.220 143 G C 0.598 175.466 174.900 -0.054 0.000 1.130 143 G CA 0.841 45.904 45.100 -0.062 0.000 0.760 143 G HN 0.677 nan 8.290 nan 0.000 0.557 144 D N -0.150 120.222 120.400 -0.047 0.000 2.319 144 D HA 0.136 4.776 4.640 0.001 0.000 0.230 144 D C 0.593 176.871 176.300 -0.038 0.000 1.094 144 D CA 0.065 54.042 54.000 -0.037 0.000 0.856 144 D CB 0.173 40.955 40.800 -0.030 0.000 0.915 144 D HN 0.410 nan 8.370 nan 0.000 0.517 145 E N -0.315 119.856 120.200 -0.048 0.000 2.456 145 E HA 0.321 4.671 4.350 0.001 0.000 0.276 145 E C -0.376 176.189 176.600 -0.057 0.000 0.981 145 E CA -1.212 55.161 56.400 -0.045 0.000 0.814 145 E CB 2.105 31.778 29.700 -0.044 0.000 1.382 145 E HN 0.064 nan 8.360 nan 0.000 0.459 146 R N 0.485 120.956 120.500 -0.047 0.000 2.679 146 R HA 0.335 4.675 4.340 0.001 0.000 0.269 146 R C -2.385 173.878 176.300 -0.063 0.000 1.076 146 R CA -1.388 54.680 56.100 -0.053 0.000 1.160 146 R CB -0.501 29.780 30.300 -0.032 0.000 1.054 146 R HN 0.083 nan 8.270 nan 0.000 0.507 147 P HA -0.080 nan 4.420 nan 0.000 0.265 147 P C -0.737 176.540 177.300 -0.039 0.000 1.187 147 P CA -0.206 62.851 63.100 -0.070 0.000 0.766 147 P CB 0.657 32.317 31.700 -0.066 0.000 0.820 148 V N 4.944 124.838 119.914 -0.033 0.000 2.483 148 V HA 0.467 4.587 4.120 0.001 0.000 0.295 148 V C -2.272 173.816 176.094 -0.010 0.000 1.035 148 V CA -2.673 59.614 62.300 -0.023 0.000 0.896 148 V CB 1.701 33.506 31.823 -0.029 0.000 0.986 148 V HN 0.492 nan 8.190 nan 0.000 0.447 149 P HA 0.307 nan 4.420 nan 0.000 0.276 149 P C -2.690 174.616 177.300 0.010 0.000 1.235 149 P CA -1.716 61.385 63.100 0.002 0.000 0.772 149 P CB 0.378 32.076 31.700 -0.004 0.000 0.871 150 P HA 0.141 nan 4.420 nan 0.000 0.225 150 P C 0.553 177.883 177.300 0.050 0.000 1.813 150 P CA -0.113 63.006 63.100 0.032 0.000 1.013 150 P CB -0.281 31.443 31.700 0.039 0.000 1.961 151 L N -0.539 120.714 121.223 0.048 0.000 6.855 151 L HA -0.321 4.019 4.340 0.001 0.000 0.055 151 L C 1.113 178.007 176.870 0.040 0.000 1.527 151 L CA 1.519 56.396 54.840 0.061 0.000 1.709 151 L CB -1.397 40.728 42.059 0.111 0.000 2.675 151 L HN 0.365 nan 8.230 nan 0.000 1.057 152 N N 0.411 119.141 118.700 0.049 0.000 2.451 152 N HA 0.234 4.974 4.740 0.001 0.000 0.264 152 N C 0.691 176.195 175.510 -0.010 0.000 1.167 152 N CA -0.009 53.019 53.050 -0.036 0.000 0.898 152 N CB 0.069 38.477 38.487 -0.131 0.000 1.176 152 N HN 0.630 nan 8.380 nan 0.000 0.507 153 L N -0.762 120.529 121.223 0.113 0.000 2.240 153 L HA 0.044 4.384 4.340 0.001 0.000 0.211 153 L C 1.748 178.700 176.870 0.137 0.000 1.106 153 L CA 0.590 55.553 54.840 0.206 0.000 0.793 153 L CB 0.086 42.253 42.059 0.180 0.000 0.927 153 L HN 0.054 nan 8.230 nan 0.000 0.446 154 V N -0.941 119.014 119.914 0.068 0.000 2.795 154 V HA 0.097 4.217 4.120 0.001 0.000 0.243 154 V C 2.278 178.396 176.094 0.039 0.000 1.069 154 V CA 1.407 63.749 62.300 0.069 0.000 1.089 154 V CB -0.148 31.710 31.823 0.058 0.000 0.756 154 V HN 0.447 nan 8.190 nan 0.000 0.471 155 G N -0.362 108.432 108.800 -0.011 0.000 2.508 155 G HA2 -0.120 3.840 3.960 0.001 0.000 0.212 155 G HA3 -0.120 3.840 3.960 0.001 0.000 0.212 155 G C 1.146 175.980 174.900 -0.111 0.000 1.206 155 G CA 0.697 45.782 45.100 -0.025 0.000 0.822 155 G HN 0.419 nan 8.290 nan 0.000 0.550 156 D N 0.127 120.355 120.400 -0.286 0.000 2.117 156 D HA -0.030 4.610 4.640 0.001 0.000 0.197 156 D C 2.024 178.020 176.300 -0.507 0.000 0.987 156 D CA 0.965 54.618 54.000 -0.579 0.000 0.829 156 D CB -0.078 40.002 40.800 -1.199 0.000 0.961 156 D HN 0.326 nan 8.370 nan 0.000 0.460 157 F N -0.285 119.656 119.950 -0.014 0.000 2.485 157 F HA 0.295 4.823 4.527 0.001 0.000 0.274 157 F C 2.554 178.401 175.800 0.079 0.000 0.963 157 F CA 0.405 58.381 58.000 -0.040 0.000 1.169 157 F CB -1.127 37.744 39.000 -0.214 0.000 1.145 157 F HN -0.088 nan 8.300 nan 0.000 0.682 158 G N -0.250 108.706 108.800 0.260 0.000 2.446 158 G HA2 -0.090 3.870 3.960 0.001 0.000 0.217 158 G HA3 -0.090 3.870 3.960 0.001 0.000 0.217 158 G C 1.693 176.794 174.900 0.335 0.000 1.168 158 G CA 0.957 46.202 45.100 0.241 0.000 0.771 158 G HN 0.530 nan 8.290 nan 0.000 0.551 159 G N -0.501 108.448 108.800 0.249 0.000 3.523 159 G HA2 0.489 4.449 3.960 0.001 0.000 0.270 159 G HA3 0.489 4.449 3.960 0.001 0.000 0.270 159 G C 0.698 175.697 174.900 0.164 0.000 1.134 159 G CA 0.899 46.133 45.100 0.223 0.000 0.825 159 G HN 0.684 nan 8.290 nan 0.000 0.534 160 G N 0.494 109.430 108.800 0.225 0.000 2.581 160 G HA2 0.211 4.171 3.960 0.001 0.000 0.194 160 G HA3 0.211 4.171 3.960 0.001 0.000 0.194 160 G C 1.853 176.868 174.900 0.192 0.000 1.814 160 G CA 1.049 46.215 45.100 0.110 0.000 0.745 160 G HN 0.424 nan 8.290 nan 0.000 0.802 161 S N 0.524 116.358 115.700 0.222 0.000 2.374 161 S HA -0.186 4.285 4.470 0.001 0.000 0.227 161 S C 2.391 177.125 174.600 0.223 0.000 1.037 161 S CA 2.134 60.499 58.200 0.274 0.000 1.024 161 S CB -0.411 63.103 63.200 0.524 0.000 0.861 161 S HN 0.141 nan 8.310 nan 0.000 0.456 162 M N 0.536 120.275 119.600 0.230 0.000 2.159 162 M HA 0.123 4.603 4.480 0.001 0.000 0.263 162 M C 1.935 178.203 176.300 -0.054 0.000 1.063 162 M CA 1.120 56.467 55.300 0.079 0.000 1.110 162 M CB -1.683 30.943 32.600 0.042 0.000 1.374 162 M HN 0.341 nan 8.290 nan 0.000 0.411 163 F N -0.238 119.749 119.950 0.061 0.000 2.234 163 F HA -0.112 4.415 4.527 0.001 0.000 0.296 163 F C 2.212 178.032 175.800 0.033 0.000 1.089 163 F CA 0.542 58.565 58.000 0.037 0.000 1.343 163 F CB -0.711 38.301 39.000 0.021 0.000 1.040 163 F HN 0.026 nan 8.300 nan 0.000 0.498 164 L N 0.075 121.411 121.223 0.189 0.000 2.012 164 L HA -0.227 4.113 4.340 0.001 0.000 0.210 164 L C 2.118 179.032 176.870 0.073 0.000 1.073 164 L CA 1.791 56.699 54.840 0.113 0.000 0.748 164 L CB -0.732 41.383 42.059 0.092 0.000 0.891 164 L HN 0.104 nan 8.230 nan 0.000 0.431 165 L N -2.046 119.209 121.223 0.054 0.000 2.017 165 L HA -0.231 4.110 4.340 0.001 0.000 0.208 165 L C 2.412 179.283 176.870 0.002 0.000 1.073 165 L CA 1.159 56.011 54.840 0.021 0.000 0.745 165 L CB -0.684 41.380 42.059 0.009 0.000 0.894 165 L HN 0.093 nan 8.230 nan 0.000 0.432 166 V N 0.171 120.064 119.914 -0.035 0.000 2.343 166 V HA -0.231 3.889 4.120 0.001 0.000 0.247 166 V C 2.610 178.710 176.094 0.011 0.000 1.051 166 V CA 2.028 64.298 62.300 -0.050 0.000 1.036 166 V CB -1.295 30.437 31.823 -0.152 0.000 0.654 166 V HN 0.591 nan 8.190 nan 0.000 0.451 167 G N -0.077 108.753 108.800 0.050 0.000 2.446 167 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 167 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 167 G C 1.576 176.514 174.900 0.063 0.000 1.168 167 G CA 1.160 46.304 45.100 0.073 0.000 0.771 167 G HN 0.479 nan 8.290 nan 0.000 0.551 168 I N 0.365 120.966 120.570 0.052 0.000 2.118 168 I HA -0.199 3.971 4.170 0.001 0.000 0.241 168 I C 2.733 178.879 176.117 0.048 0.000 1.070 168 I CA 1.033 62.360 61.300 0.045 0.000 1.327 168 I CB -0.235 37.782 38.000 0.029 0.000 1.034 168 I HN 0.135 nan 8.210 nan 0.000 0.405 169 L N 0.127 121.376 121.223 0.042 0.000 2.109 169 L HA -0.084 4.256 4.340 0.001 0.000 0.207 169 L C 2.826 179.752 176.870 0.094 0.000 1.086 169 L CA 0.995 55.867 54.840 0.053 0.000 0.760 169 L CB -0.751 41.327 42.059 0.032 0.000 0.910 169 L HN 0.199 nan 8.230 nan 0.000 0.437 170 A N 0.519 123.387 122.820 0.079 0.000 1.892 170 A HA -0.245 4.075 4.320 0.001 0.000 0.218 170 A C 2.544 180.236 177.584 0.179 0.000 1.188 170 A CA 2.036 54.143 52.037 0.117 0.000 0.631 170 A CB -0.801 18.241 19.000 0.071 0.000 0.822 170 A HN 0.396 nan 8.150 nan 0.000 0.447 171 A N -0.648 122.245 122.820 0.121 0.000 1.972 171 A HA 0.013 4.333 4.320 0.001 0.000 0.219 171 A C 2.155 179.794 177.584 0.092 0.000 1.169 171 A CA 1.439 53.538 52.037 0.102 0.000 0.635 171 A CB -0.525 18.521 19.000 0.076 0.000 0.810 171 A HN 0.479 nan 8.150 nan 0.000 0.446 172 L N -1.481 119.800 121.223 0.096 0.000 2.093 172 L HA -0.175 4.165 4.340 0.001 0.000 0.208 172 L C 2.590 179.520 176.870 0.099 0.000 1.085 172 L CA 1.281 56.163 54.840 0.071 0.000 0.755 172 L CB -0.484 41.610 42.059 0.057 0.000 0.904 172 L HN 0.816 nan 8.230 nan 0.000 0.435 173 W N 1.443 122.739 121.300 -0.007 0.000 2.333 173 W HA -0.245 4.415 4.660 0.000 0.000 0.316 173 W C 2.228 178.744 176.519 -0.004 0.000 1.215 173 W CA 1.847 59.188 57.345 -0.006 0.000 1.278 173 W CB -0.172 29.287 29.460 -0.002 0.000 1.154 173 W HN 0.229 nan 8.180 nan 0.000 0.486 174 E N 1.136 121.357 120.200 0.036 0.000 2.118 174 E HA -0.274 4.076 4.350 0.001 0.000 0.195 174 E C 2.261 178.775 176.600 -0.144 0.000 0.992 174 E CA 1.369 57.719 56.400 -0.084 0.000 0.804 174 E CB -0.516 29.227 29.700 0.072 0.000 0.741 174 E HN 0.326 nan 8.360 nan 0.000 0.458 175 R N 0.299 120.748 120.500 -0.084 0.000 2.159 175 R HA -0.159 4.181 4.340 0.001 0.000 0.237 175 R C 2.371 178.590 176.300 -0.134 0.000 1.131 175 R CA 1.606 57.657 56.100 -0.082 0.000 0.982 175 R CB 0.016 30.289 30.300 -0.045 0.000 0.868 175 R HN 0.268 nan 8.270 nan 0.000 0.453 176 Q N -0.894 118.777 119.800 -0.215 0.000 2.170 176 Q HA -0.119 4.221 4.340 0.001 0.000 0.203 176 Q C 1.891 177.752 176.000 -0.231 0.000 0.976 176 Q CA 1.904 57.561 55.803 -0.244 0.000 0.858 176 Q CB 0.156 28.669 28.738 -0.376 0.000 0.907 176 Q HN 0.285 nan 8.270 nan 0.000 0.433 177 S N 0.296 115.842 115.700 -0.257 0.000 2.427 177 S HA -0.052 4.419 4.470 0.001 0.000 0.224 177 S C 2.111 176.639 174.600 -0.120 0.000 1.047 177 S CA 0.814 58.899 58.200 -0.193 0.000 0.953 177 S CB 0.085 63.158 63.200 -0.211 0.000 0.824 177 S HN 0.466 nan 8.310 nan 0.000 0.502 178 S N 0.964 116.602 115.700 -0.103 0.000 2.470 178 S HA 0.258 4.729 4.470 0.001 0.000 0.225 178 S C 1.717 176.283 174.600 -0.056 0.000 1.006 178 S CA 0.788 58.950 58.200 -0.064 0.000 0.934 178 S CB -0.549 62.623 63.200 -0.047 0.000 0.778 178 S HN 0.804 nan 8.310 nan 0.000 0.517 179 G N 1.138 109.897 108.800 -0.068 0.000 2.168 179 G HA2 -0.262 3.698 3.960 0.001 0.000 0.257 179 G HA3 -0.262 3.698 3.960 0.001 0.000 0.257 179 G C -0.068 174.809 174.900 -0.039 0.000 0.997 179 G CA 0.732 45.799 45.100 -0.055 0.000 0.708 179 G HN 0.615 nan 8.290 nan 0.000 0.520 180 K N -0.732 119.648 120.400 -0.033 0.000 2.443 180 K HA 0.628 4.948 4.320 0.001 0.000 0.251 180 K C 0.700 177.295 176.600 -0.008 0.000 0.972 180 K CA -0.381 55.895 56.287 -0.017 0.000 0.833 180 K CB 2.050 34.543 32.500 -0.013 0.000 1.317 180 K HN 0.212 nan 8.250 nan 0.000 0.441 181 G N 0.241 109.045 108.800 0.007 0.000 2.641 181 G HA2 0.539 4.499 3.960 0.001 0.000 0.239 181 G HA3 0.539 4.499 3.960 0.001 0.000 0.239 181 G C -0.792 174.126 174.900 0.031 0.000 1.402 181 G CA -0.080 45.034 45.100 0.023 0.000 1.046 181 G HN 0.650 nan 8.290 nan 0.000 0.565 182 Q N -3.150 116.681 119.800 0.050 0.000 2.919 182 Q HA 0.461 4.801 4.340 0.001 0.000 0.323 182 Q C -1.934 174.111 176.000 0.075 0.000 0.829 182 Q CA -0.916 54.915 55.803 0.047 0.000 0.803 182 Q CB 1.201 29.960 28.738 0.035 0.000 1.423 182 Q HN 0.433 nan 8.270 nan 0.000 0.478 183 V N 1.197 121.143 119.914 0.053 0.000 2.439 183 V HA 0.456 4.577 4.120 0.001 0.000 0.282 183 V C -0.422 175.720 176.094 0.080 0.000 1.039 183 V CA -0.648 61.697 62.300 0.075 0.000 0.913 183 V CB 1.456 33.274 31.823 -0.008 0.000 0.983 183 V HN 0.516 nan 8.190 nan 0.000 0.460 184 V N 3.716 123.697 119.914 0.111 0.000 2.347 184 V HA 0.325 4.445 4.120 0.001 0.000 0.280 184 V C -0.277 175.868 176.094 0.085 0.000 1.021 184 V CA -0.437 61.917 62.300 0.090 0.000 0.847 184 V CB 1.617 33.493 31.823 0.090 0.000 0.990 184 V HN 0.964 nan 8.190 nan 0.000 0.444 185 D N 4.904 125.340 120.400 0.059 0.000 2.473 185 D HA 0.497 5.138 4.640 0.001 0.000 0.226 185 D C -0.004 176.315 176.300 0.031 0.000 1.089 185 D CA -0.255 53.771 54.000 0.043 0.000 0.883 185 D CB 1.342 42.158 40.800 0.027 0.000 1.029 185 D HN 0.649 nan 8.370 nan 0.000 0.517 186 A N 3.250 126.087 122.820 0.029 0.000 2.412 186 A HA 0.682 5.002 4.320 0.001 0.000 0.334 186 A C -0.046 177.512 177.584 -0.045 0.000 1.419 186 A CA -0.627 51.422 52.037 0.019 0.000 0.930 186 A CB 0.450 19.489 19.000 0.065 0.000 1.149 186 A HN 0.627 nan 8.150 nan 0.000 0.515 187 A N 3.177 125.947 122.820 -0.083 0.000 2.260 187 A HA 0.554 4.875 4.320 0.001 0.000 0.314 187 A C 1.039 178.493 177.584 -0.217 0.000 1.257 187 A CA -0.593 51.350 52.037 -0.157 0.000 0.871 187 A CB 0.078 19.017 19.000 -0.102 0.000 1.166 187 A HN 0.874 nan 8.150 nan 0.000 0.522 188 M N 2.541 121.947 119.600 -0.323 0.000 2.195 188 M HA -0.169 4.311 4.480 0.001 0.000 0.260 188 M C 1.926 178.090 176.300 -0.227 0.000 1.066 188 M CA 1.675 56.798 55.300 -0.296 0.000 1.089 188 M CB -0.411 31.949 32.600 -0.400 0.000 1.377 188 M HN 0.631 nan 8.290 nan 0.000 0.411 189 V N 0.571 120.349 119.914 -0.227 0.000 2.490 189 V HA -0.262 3.858 4.120 0.001 0.000 0.250 189 V C 1.611 177.665 176.094 -0.067 0.000 1.061 189 V CA 2.120 64.396 62.300 -0.040 0.000 1.064 189 V CB -0.371 31.549 31.823 0.162 0.000 0.670 189 V HN 0.419 nan 8.190 nan 0.000 0.461 190 D N 0.141 120.459 120.400 -0.137 0.000 2.110 190 D HA -0.014 4.626 4.640 0.001 0.000 0.202 190 D C 2.110 178.186 176.300 -0.373 0.000 0.975 190 D CA 1.511 55.394 54.000 -0.196 0.000 0.839 190 D CB -0.878 39.821 40.800 -0.169 0.000 0.996 190 D HN 0.495 nan 8.370 nan 0.000 0.464 191 G N 0.946 109.417 108.800 -0.548 0.000 2.440 191 G HA2 -0.289 3.671 3.960 0.001 0.000 0.218 191 G HA3 -0.289 3.671 3.960 0.001 0.000 0.218 191 G C 1.752 176.200 174.900 -0.754 0.000 1.154 191 G CA 1.937 46.301 45.100 -1.226 0.000 0.767 191 G HN 0.414 nan 8.290 nan 0.000 0.552 192 S N 0.493 116.017 115.700 -0.293 0.000 2.382 192 S HA -0.085 4.386 4.470 0.001 0.000 0.228 192 S C 2.425 177.009 174.600 -0.026 0.000 1.027 192 S CA 1.773 59.922 58.200 -0.085 0.000 0.991 192 S CB -0.432 62.763 63.200 -0.009 0.000 0.823 192 S HN 0.244 nan 8.310 nan 0.000 0.469 193 S N 1.464 117.135 115.700 -0.048 0.000 2.368 193 S HA -0.018 4.452 4.470 0.001 0.000 0.225 193 S C 1.916 176.527 174.600 0.019 0.000 1.030 193 S CA 1.300 59.527 58.200 0.046 0.000 0.999 193 S CB -0.579 62.587 63.200 -0.057 0.000 0.844 193 S HN 0.450 nan 8.310 nan 0.000 0.459 194 V N 1.554 121.395 119.914 -0.121 0.000 2.548 194 V HA -0.050 4.070 4.120 0.001 0.000 0.249 194 V C 2.148 178.312 176.094 0.118 0.000 1.055 194 V CA 1.002 63.287 62.300 -0.026 0.000 1.065 194 V CB -0.591 31.194 31.823 -0.064 0.000 0.681 194 V HN 0.320 nan 8.190 nan 0.000 0.462 195 L N -0.441 120.844 121.223 0.103 0.000 2.127 195 L HA -0.060 4.281 4.340 0.001 0.000 0.211 195 L C 1.797 178.740 176.870 0.122 0.000 1.089 195 L CA 1.896 56.858 54.840 0.203 0.000 0.757 195 L CB -0.223 41.960 42.059 0.207 0.000 0.899 195 L HN 0.293 nan 8.230 nan 0.000 0.434 196 I N -1.096 119.542 120.570 0.114 0.000 3.914 196 I HA -0.006 4.164 4.170 0.001 0.000 0.333 196 I C 1.757 177.955 176.117 0.134 0.000 1.449 196 I CA -0.011 61.328 61.300 0.065 0.000 1.135 196 I CB -0.157 37.858 38.000 0.025 0.000 1.073 196 I HN 0.349 nan 8.210 nan 0.000 0.401 197 Q N 1.085 120.989 119.800 0.174 0.000 2.152 197 Q HA -0.277 4.063 4.340 0.001 0.000 0.206 197 Q C 1.976 178.053 176.000 0.128 0.000 0.985 197 Q CA 2.010 57.938 55.803 0.209 0.000 0.863 197 Q CB -0.169 28.642 28.738 0.121 0.000 0.904 197 Q HN 0.635 nan 8.270 nan 0.000 0.422 198 M N -0.592 119.019 119.600 0.019 0.000 2.106 198 M HA -0.249 4.232 4.480 0.001 0.000 0.259 198 M C 1.838 178.048 176.300 -0.150 0.000 1.068 198 M CA 1.695 56.963 55.300 -0.055 0.000 1.100 198 M CB 0.053 32.596 32.600 -0.094 0.000 1.351 198 M HN 0.219 nan 8.290 nan 0.000 0.404 199 M N -1.402 118.010 119.600 -0.313 0.000 2.200 199 M HA -0.091 4.389 4.480 0.001 0.000 0.265 199 M C 1.404 177.482 176.300 -0.369 0.000 1.066 199 M CA 1.797 56.739 55.300 -0.598 0.000 1.127 199 M CB -0.596 31.398 32.600 -1.011 0.000 1.379 199 M HN 0.354 nan 8.290 nan 0.000 0.420 200 W N -0.153 121.069 121.300 -0.132 0.000 2.358 200 W HA -0.116 4.544 4.660 0.000 0.000 0.303 200 W C 2.554 179.058 176.519 -0.024 0.000 1.208 200 W CA 1.308 58.621 57.345 -0.053 0.000 1.274 200 W CB -0.662 28.773 29.460 -0.042 0.000 1.138 200 W HN 0.217 nan 8.180 nan 0.000 0.515 201 A N -0.079 122.847 122.820 0.178 0.000 1.877 201 A HA -0.226 4.095 4.320 0.001 0.000 0.216 201 A C 1.929 179.565 177.584 0.086 0.000 1.186 201 A CA 1.951 54.055 52.037 0.112 0.000 0.620 201 A CB -0.882 18.162 19.000 0.074 0.000 0.822 201 A HN 0.267 nan 8.150 nan 0.000 0.443 202 M N -1.638 117.996 119.600 0.057 0.000 2.175 202 M HA -0.110 4.370 4.480 0.001 0.000 0.264 202 M C 2.383 178.763 176.300 0.133 0.000 1.063 202 M CA 1.421 56.778 55.300 0.094 0.000 1.119 202 M CB -0.242 32.428 32.600 0.117 0.000 1.377 202 M HN 0.410 nan 8.290 nan 0.000 0.415 203 R N 0.269 120.842 120.500 0.121 0.000 2.096 203 R HA -0.115 4.225 4.340 0.001 0.000 0.235 203 R C 2.090 178.454 176.300 0.107 0.000 1.127 203 R CA 1.543 57.718 56.100 0.125 0.000 0.968 203 R CB -0.225 30.113 30.300 0.064 0.000 0.861 203 R HN 0.373 nan 8.270 nan 0.000 0.440 204 A N -0.293 122.594 122.820 0.112 0.000 2.121 204 A HA -0.093 4.227 4.320 0.001 0.000 0.218 204 A C 1.635 179.261 177.584 0.070 0.000 1.154 204 A CA 1.677 53.771 52.037 0.094 0.000 0.679 204 A CB -0.213 18.847 19.000 0.100 0.000 0.795 204 A HN 0.517 nan 8.150 nan 0.000 0.458 205 T N -5.425 109.172 114.554 0.071 0.000 3.132 205 T HA 0.452 4.803 4.350 0.001 0.000 0.274 205 T C 1.117 175.847 174.700 0.050 0.000 1.011 205 T CA 0.863 62.996 62.100 0.054 0.000 0.899 205 T CB 0.159 69.058 68.868 0.052 0.000 1.089 205 T HN 1.580 nan 8.240 nan 0.000 0.543 206 G N 1.911 110.744 108.800 0.056 0.000 2.143 206 G HA2 -0.287 3.673 3.960 0.001 0.000 0.248 206 G HA3 -0.287 3.673 3.960 0.001 0.000 0.248 206 G C 0.542 175.470 174.900 0.047 0.000 0.991 206 G CA 0.489 45.614 45.100 0.040 0.000 0.689 206 G HN 0.560 nan 8.290 nan 0.000 0.522 207 M N -1.099 118.555 119.600 0.090 0.000 2.371 207 M HA 0.344 4.824 4.480 0.001 0.000 0.246 207 M C 0.500 176.930 176.300 0.217 0.000 1.103 207 M CA 0.113 55.483 55.300 0.116 0.000 1.010 207 M CB 0.523 33.196 32.600 0.122 0.000 1.457 207 M HN 0.352 nan 8.290 nan 0.000 0.486 208 W N 0.889 122.173 121.300 -0.027 0.000 3.274 208 W HA 0.383 5.043 4.660 0.000 0.000 0.327 208 W C -1.147 175.342 176.519 -0.050 0.000 1.172 208 W CA -0.567 56.751 57.345 -0.044 0.000 1.217 208 W CB 1.776 31.192 29.460 -0.072 0.000 1.376 208 W HN -0.069 nan 8.180 nan 0.000 0.507 209 T N 0.156 114.477 114.554 -0.388 0.000 2.932 209 T HA 0.274 4.624 4.350 0.001 0.000 0.289 209 T C 0.110 174.732 174.700 -0.129 0.000 1.039 209 T CA -0.448 61.542 62.100 -0.183 0.000 1.024 209 T CB 2.011 70.766 68.868 -0.189 0.000 1.090 209 T HN 0.261 nan 8.240 nan 0.000 0.496 210 D N 0.923 121.314 120.400 -0.015 0.000 2.363 210 D HA 0.117 4.757 4.640 0.001 0.000 0.226 210 D C 0.306 176.658 176.300 0.085 0.000 1.020 210 D CA 0.478 54.508 54.000 0.049 0.000 0.892 210 D CB -0.213 40.584 40.800 -0.005 0.000 0.900 210 D HN 0.576 nan 8.370 nan 0.000 0.531 211 T N 1.462 116.007 114.554 -0.016 0.000 2.738 211 T HA 0.085 4.435 4.350 0.001 0.000 0.293 211 T C 0.578 175.249 174.700 -0.049 0.000 0.913 211 T CA -0.431 61.658 62.100 -0.018 0.000 1.103 211 T CB 0.818 69.648 68.868 -0.064 0.000 0.880 211 T HN 0.021 nan 8.240 nan 0.000 0.526 212 R N 2.433 122.923 120.500 -0.016 0.000 2.570 212 R HA 0.303 4.644 4.340 0.001 0.000 0.277 212 R C 1.337 177.594 176.300 -0.072 0.000 1.039 212 R CA 1.172 57.242 56.100 -0.050 0.000 1.065 212 R CB -0.097 30.130 30.300 -0.122 0.000 0.964 212 R HN 0.937 nan 8.270 nan 0.000 0.428 213 G N 2.103 110.860 108.800 -0.071 0.000 2.179 213 G HA2 -0.295 3.666 3.960 0.001 0.000 0.257 213 G HA3 -0.295 3.666 3.960 0.001 0.000 0.257 213 G C 0.138 174.982 174.900 -0.093 0.000 1.010 213 G CA 0.357 45.411 45.100 -0.078 0.000 0.736 213 G HN 0.844 nan 8.290 nan 0.000 0.513 214 A N -0.427 122.310 122.820 -0.137 0.000 2.806 214 A HA 0.619 4.940 4.320 0.001 0.000 0.266 214 A C 0.392 177.859 177.584 -0.195 0.000 0.926 214 A CA -0.107 51.867 52.037 -0.104 0.000 1.068 214 A CB 0.388 19.342 19.000 -0.078 0.000 1.189 214 A HN 0.295 nan 8.150 nan 0.000 0.481 215 N N -1.011 117.496 118.700 -0.322 0.000 2.701 215 N HA 0.340 5.081 4.740 0.001 0.000 0.290 215 N C 0.759 176.110 175.510 -0.266 0.000 1.338 215 N CA -0.679 52.045 53.050 -0.543 0.000 0.799 215 N CB 1.102 38.628 38.487 -1.602 0.000 1.491 215 N HN 0.269 nan 8.380 nan 0.000 0.540 216 M N 0.297 119.790 119.600 -0.180 0.000 2.296 216 M HA 0.076 4.557 4.480 0.001 0.000 0.265 216 M C 0.428 176.633 176.300 -0.159 0.000 1.064 216 M CA 1.692 56.968 55.300 -0.040 0.000 1.109 216 M CB 0.130 32.791 32.600 0.102 0.000 1.396 216 M HN 0.383 nan 8.290 nan 0.000 0.430 217 L N -0.406 120.821 121.223 0.007 0.000 3.069 217 L HA 0.172 4.512 4.340 0.001 0.000 0.271 217 L C 0.273 177.248 176.870 0.175 0.000 1.201 217 L CA -0.345 54.414 54.840 -0.135 0.000 1.015 217 L CB 0.226 42.212 42.059 -0.122 0.000 1.371 217 L HN 0.221 nan 8.230 nan 0.000 0.574 218 D N -1.039 119.458 120.400 0.161 0.000 2.440 218 D HA 0.201 4.842 4.640 0.001 0.000 0.216 218 D C 1.303 177.626 176.300 0.039 0.000 1.150 218 D CA 0.475 54.564 54.000 0.149 0.000 0.832 218 D CB 0.853 41.758 40.800 0.175 0.000 0.992 218 D HN 0.129 nan 8.370 nan 0.000 0.502 219 G N -0.327 108.483 108.800 0.017 0.000 2.213 219 G HA2 -0.241 3.719 3.960 0.001 0.000 0.226 219 G HA3 -0.241 3.719 3.960 0.001 0.000 0.226 219 G C 1.296 176.090 174.900 -0.176 0.000 0.992 219 G CA 0.187 45.235 45.100 -0.086 0.000 0.632 219 G HN 0.616 nan 8.290 nan 0.000 0.511 220 G N 0.708 109.404 108.800 -0.173 0.000 2.432 220 G HA2 0.364 4.324 3.960 0.001 0.000 0.219 220 G HA3 0.364 4.324 3.960 0.001 0.000 0.219 220 G C 0.969 175.589 174.900 -0.467 0.000 1.135 220 G CA 1.681 46.671 45.100 -0.184 0.000 0.767 220 G HN 1.791 nan 8.290 nan 0.000 0.550 221 A N 0.336 122.697 122.820 -0.765 0.000 2.274 221 A HA 0.651 4.971 4.320 0.001 0.000 0.309 221 A C -1.177 175.751 177.584 -1.094 0.000 1.226 221 A CA -1.323 49.741 52.037 -1.622 0.000 0.853 221 A CB 1.414 19.474 19.000 -1.568 0.000 1.146 221 A HN 0.028 nan 8.150 nan 0.000 0.518 222 P HA -0.163 nan 4.420 nan 0.000 0.221 222 P C 0.462 177.738 177.300 -0.039 0.000 1.145 222 P CA 1.491 64.390 63.100 -0.335 0.000 0.795 222 P CB -0.100 31.492 31.700 -0.181 0.000 0.775 223 Y N -4.712 115.555 120.300 -0.056 0.000 2.468 223 Y HA 0.357 4.907 4.550 0.001 0.000 0.268 223 Y C 0.173 176.148 175.900 0.126 0.000 1.177 223 Y CA -0.989 57.182 58.100 0.119 0.000 1.265 223 Y CB -0.844 37.737 38.460 0.201 0.000 1.103 223 Y HN -0.124 nan 8.280 nan 0.000 0.522 224 Y N 1.691 121.837 120.300 -0.256 0.000 2.544 224 Y HA 0.513 5.063 4.550 0.000 0.000 0.347 224 Y C -1.423 174.361 175.900 -0.193 0.000 1.089 224 Y CA -1.151 56.859 58.100 -0.150 0.000 1.230 224 Y CB 0.296 38.662 38.460 -0.157 0.000 1.101 224 Y HN 0.242 nan 8.280 nan 0.000 0.641 225 D N 0.579 120.830 120.400 -0.248 0.000 2.755 225 D HA 0.227 4.868 4.640 0.001 0.000 0.277 225 D C -0.925 175.194 176.300 -0.302 0.000 1.261 225 D CA -0.139 53.691 54.000 -0.284 0.000 0.759 225 D CB 1.583 42.175 40.800 -0.348 0.000 1.279 225 D HN 0.251 nan 8.370 nan 0.000 0.420 226 T N -1.092 113.252 114.554 -0.349 0.000 2.918 226 T HA 0.713 5.063 4.350 0.001 0.000 0.283 226 T C -0.580 173.866 174.700 -0.423 0.000 1.001 226 T CA -0.218 61.704 62.100 -0.296 0.000 1.041 226 T CB 0.823 69.519 68.868 -0.287 0.000 1.028 226 T HN 0.278 nan 8.240 nan 0.000 0.511 227 Y N -0.417 119.748 120.300 -0.225 0.000 2.442 227 Y HA 0.455 5.005 4.550 0.001 0.000 0.344 227 Y C 0.293 176.221 175.900 0.046 0.000 0.976 227 Y CA -1.120 56.894 58.100 -0.144 0.000 1.040 227 Y CB 2.056 40.294 38.460 -0.370 0.000 1.228 227 Y HN 0.866 nan 8.280 nan 0.000 0.451 228 E N 1.967 122.344 120.200 0.295 0.000 2.354 228 E HA 0.439 4.790 4.350 0.001 0.000 0.269 228 E C -0.918 175.794 176.600 0.186 0.000 1.036 228 E CA -0.241 56.306 56.400 0.245 0.000 0.876 228 E CB 0.645 30.472 29.700 0.211 0.000 1.009 228 E HN 0.694 nan 8.360 nan 0.000 0.416 229 C N 2.248 121.603 119.300 0.093 0.000 2.547 229 C HA 0.546 5.006 4.460 0.001 0.000 0.411 229 C C 1.745 176.816 174.990 0.136 0.000 1.424 229 C CA -0.021 59.138 59.018 0.235 0.000 1.848 229 C CB 0.854 28.783 27.740 0.315 0.000 2.062 229 C HN 1.001 nan 8.230 nan 0.000 0.504 230 A N 1.038 123.958 122.820 0.167 0.000 1.940 230 A HA -0.169 4.152 4.320 0.001 0.000 0.219 230 A C 1.515 179.106 177.584 0.012 0.000 1.176 230 A CA 2.389 54.468 52.037 0.070 0.000 0.631 230 A CB -0.592 18.427 19.000 0.033 0.000 0.814 230 A HN 0.959 nan 8.150 nan 0.000 0.446 231 D N -2.035 118.364 120.400 -0.002 0.000 2.328 231 D HA 0.271 4.911 4.640 0.001 0.000 0.226 231 D C 1.131 177.378 176.300 -0.088 0.000 1.066 231 D CA 0.800 54.776 54.000 -0.039 0.000 0.861 231 D CB -0.708 40.073 40.800 -0.032 0.000 0.912 231 D HN 0.782 nan 8.370 nan 0.000 0.521 232 G N 0.255 108.978 108.800 -0.129 0.000 2.159 232 G HA2 -0.326 3.634 3.960 0.001 0.000 0.256 232 G HA3 -0.326 3.634 3.960 0.001 0.000 0.256 232 G C 0.431 175.013 174.900 -0.530 0.000 0.977 232 G CA 0.178 45.137 45.100 -0.235 0.000 0.652 232 G HN 0.474 nan 8.290 nan 0.000 0.531 233 R N -1.345 118.875 120.500 -0.468 0.000 2.719 233 R HA 0.748 5.088 4.340 0.001 0.000 0.233 233 R C -0.537 175.350 176.300 -0.688 0.000 1.257 233 R CA -0.589 55.150 56.100 -0.603 0.000 1.109 233 R CB 0.642 30.824 30.300 -0.197 0.000 1.447 233 R HN 0.233 nan 8.270 nan 0.000 0.537 234 Y N -0.859 119.447 120.300 0.010 0.000 2.553 234 Y HA 0.424 4.974 4.550 0.000 0.000 0.347 234 Y C -0.205 175.668 175.900 -0.044 0.000 1.019 234 Y CA -1.185 56.902 58.100 -0.022 0.000 1.032 234 Y CB 1.712 40.130 38.460 -0.069 0.000 1.284 234 Y HN 0.265 nan 8.280 nan 0.000 0.466 235 V N -0.738 119.201 119.914 0.042 0.000 2.881 235 V HA 1.014 5.135 4.120 0.001 0.000 0.316 235 V C -0.354 175.633 176.094 -0.178 0.000 1.070 235 V CA -1.203 61.039 62.300 -0.098 0.000 0.976 235 V CB 1.433 33.104 31.823 -0.253 0.000 1.038 235 V HN 0.972 nan 8.190 nan 0.000 0.446 236 A N 2.674 125.376 122.820 -0.197 0.000 2.304 236 A HA 0.812 5.132 4.320 0.001 0.000 0.323 236 A C -0.488 176.928 177.584 -0.280 0.000 1.195 236 A CA -0.627 51.267 52.037 -0.238 0.000 0.826 236 A CB 1.219 20.084 19.000 -0.225 0.000 1.184 236 A HN 1.202 nan 8.150 nan 0.000 0.496 237 V N 1.970 121.727 119.914 -0.262 0.000 2.398 237 V HA 0.637 4.757 4.120 0.001 0.000 0.286 237 V C 0.937 176.908 176.094 -0.205 0.000 1.026 237 V CA 0.337 62.512 62.300 -0.208 0.000 0.868 237 V CB 1.662 33.426 31.823 -0.097 0.000 0.982 237 V HN 1.149 nan 8.190 nan 0.000 0.443 238 G N 2.985 111.708 108.800 -0.129 0.000 4.543 238 G HA2 0.467 4.428 3.960 0.001 0.000 0.286 238 G HA3 0.467 4.428 3.960 0.001 0.000 0.286 238 G C 0.309 175.346 174.900 0.229 0.000 1.112 238 G CA 0.416 45.494 45.100 -0.037 0.000 0.870 238 G HN 0.912 nan 8.290 nan 0.000 0.540 239 A N 0.863 123.855 122.820 0.286 0.000 3.015 239 A HA 0.583 4.903 4.320 0.001 0.000 0.293 239 A C 1.266 179.034 177.584 0.307 0.000 1.572 239 A CA -0.430 51.798 52.037 0.318 0.000 1.274 239 A CB -0.353 18.810 19.000 0.271 0.000 1.156 239 A HN 0.367 nan 8.150 nan 0.000 0.562 240 I N -0.013 120.752 120.570 0.325 0.000 2.162 240 I HA -0.115 4.055 4.170 0.001 0.000 0.238 240 I C 0.723 176.815 176.117 -0.043 0.000 1.076 240 I CA 0.717 62.115 61.300 0.163 0.000 1.353 240 I CB -0.159 38.003 38.000 0.269 0.000 1.063 240 I HN 0.478 nan 8.210 nan 0.000 0.408 241 E N 2.026 122.259 120.200 0.055 0.000 2.392 241 E HA -0.003 4.348 4.350 0.001 0.000 0.264 241 E C -1.550 174.950 176.600 -0.168 0.000 1.024 241 E CA -1.188 55.118 56.400 -0.157 0.000 0.903 241 E CB -0.003 29.438 29.700 -0.432 0.000 0.963 241 E HN 0.076 nan 8.360 nan 0.000 0.432 242 P HA -0.296 nan 4.420 nan 0.000 0.216 242 P C 1.072 178.361 177.300 -0.019 0.000 1.154 242 P CA 1.545 64.599 63.100 -0.077 0.000 0.865 242 P CB 0.223 31.872 31.700 -0.086 0.000 0.789 243 Q N -1.031 118.672 119.800 -0.162 0.000 2.245 243 Q HA -0.095 4.245 4.340 0.001 0.000 0.201 243 Q C 1.923 177.953 176.000 0.049 0.000 0.955 243 Q CA 1.267 57.006 55.803 -0.107 0.000 0.870 243 Q CB -1.047 27.576 28.738 -0.191 0.000 0.945 243 Q HN 0.172 nan 8.270 nan 0.000 0.461 244 F N 0.528 120.509 119.950 0.052 0.000 2.128 244 F HA -0.029 4.498 4.527 0.000 0.000 0.295 244 F C 2.422 178.254 175.800 0.054 0.000 1.100 244 F CA 0.120 58.148 58.000 0.047 0.000 1.260 244 F CB -1.515 37.512 39.000 0.045 0.000 1.009 244 F HN 0.055 nan 8.300 nan 0.000 0.476 245 Y N 1.144 121.517 120.300 0.122 0.000 2.114 245 Y HA -0.242 4.308 4.550 0.000 0.000 0.282 245 Y C 2.450 178.374 175.900 0.040 0.000 1.165 245 Y CA 1.645 59.765 58.100 0.034 0.000 1.148 245 Y CB -0.697 37.720 38.460 -0.071 0.000 0.972 245 Y HN -0.005 nan 8.280 nan 0.000 0.504 246 A N 0.296 123.160 122.820 0.074 0.000 1.908 246 A HA -0.146 4.175 4.320 0.001 0.000 0.218 246 A C 2.427 180.001 177.584 -0.016 0.000 1.181 246 A CA 2.044 54.079 52.037 -0.003 0.000 0.627 246 A CB -1.510 17.520 19.000 0.051 0.000 0.818 246 A HN 0.621 nan 8.150 nan 0.000 0.445 247 A N -0.986 121.871 122.820 0.062 0.000 1.898 247 A HA -0.099 4.221 4.320 0.001 0.000 0.216 247 A C 2.195 179.852 177.584 0.122 0.000 1.181 247 A CA 1.877 53.976 52.037 0.104 0.000 0.620 247 A CB -0.516 18.584 19.000 0.166 0.000 0.819 247 A HN 0.506 nan 8.150 nan 0.000 0.442 248 M N 0.003 119.623 119.600 0.034 0.000 2.080 248 M HA -0.125 4.356 4.480 0.001 0.000 0.260 248 M C 1.947 178.215 176.300 -0.054 0.000 1.068 248 M CA 1.783 57.057 55.300 -0.043 0.000 1.109 248 M CB -0.855 31.630 32.600 -0.192 0.000 1.342 248 M HN 0.446 nan 8.290 nan 0.000 0.405 249 L N -0.156 120.933 121.223 -0.223 0.000 2.093 249 L HA -0.137 4.203 4.340 0.001 0.000 0.208 249 L C 2.690 179.504 176.870 -0.094 0.000 1.085 249 L CA 1.043 55.748 54.840 -0.226 0.000 0.755 249 L CB -1.057 40.831 42.059 -0.285 0.000 0.904 249 L HN 0.342 nan 8.230 nan 0.000 0.435 250 A N 0.473 123.269 122.820 -0.040 0.000 1.940 250 A HA -0.146 4.175 4.320 0.001 0.000 0.219 250 A C 2.368 179.944 177.584 -0.014 0.000 1.176 250 A CA 1.811 53.839 52.037 -0.015 0.000 0.631 250 A CB -1.134 17.869 19.000 0.005 0.000 0.814 250 A HN 0.451 nan 8.150 nan 0.000 0.446 251 G N -0.660 108.163 108.800 0.038 0.000 2.448 251 G HA2 -0.040 3.920 3.960 0.001 0.000 0.218 251 G HA3 -0.040 3.920 3.960 0.001 0.000 0.218 251 G C 1.431 176.276 174.900 -0.091 0.000 1.135 251 G CA 0.768 45.787 45.100 -0.135 0.000 0.784 251 G HN 0.433 nan 8.290 nan 0.000 0.543 252 L N 0.188 121.395 121.223 -0.027 0.000 2.395 252 L HA 0.165 4.506 4.340 0.001 0.000 0.218 252 L C 2.045 178.884 176.870 -0.051 0.000 1.130 252 L CA 0.590 55.345 54.840 -0.142 0.000 0.826 252 L CB -0.267 41.575 42.059 -0.361 0.000 0.941 252 L HN 0.389 nan 8.230 nan 0.000 0.451 253 G N 0.986 109.762 108.800 -0.040 0.000 2.182 253 G HA2 -0.269 3.692 3.960 0.001 0.000 0.248 253 G HA3 -0.269 3.692 3.960 0.001 0.000 0.248 253 G C -0.023 174.857 174.900 -0.033 0.000 1.042 253 G CA -0.166 44.921 45.100 -0.022 0.000 0.775 253 G HN 0.231 nan 8.290 nan 0.000 0.501 254 L N 0.476 121.661 121.223 -0.062 0.000 2.289 254 L HA 0.428 4.769 4.340 0.001 0.000 0.285 254 L C 0.074 176.921 176.870 -0.039 0.000 1.049 254 L CA -1.006 53.799 54.840 -0.058 0.000 0.804 254 L CB 1.413 43.415 42.059 -0.094 0.000 1.195 254 L HN 0.117 nan 8.230 nan 0.000 0.428 255 D N 2.356 122.746 120.400 -0.017 0.000 2.336 255 D HA 0.193 4.833 4.640 0.001 0.000 0.249 255 D C 0.845 177.150 176.300 0.008 0.000 1.213 255 D CA -0.060 53.938 54.000 -0.004 0.000 0.870 255 D CB 1.929 42.730 40.800 0.003 0.000 1.076 255 D HN 0.610 nan 8.370 nan 0.000 0.483 256 A N 4.053 126.880 122.820 0.012 0.000 2.024 256 A HA -0.091 4.229 4.320 0.001 0.000 0.220 256 A C 2.048 179.663 177.584 0.051 0.000 1.164 256 A CA 1.752 53.814 52.037 0.041 0.000 0.643 256 A CB -0.393 18.636 19.000 0.049 0.000 0.806 256 A HN 0.645 nan 8.150 nan 0.000 0.451 257 A N -0.430 122.410 122.820 0.034 0.000 2.067 257 A HA -0.057 4.263 4.320 0.001 0.000 0.219 257 A C 1.702 179.307 177.584 0.034 0.000 1.158 257 A CA 1.334 53.391 52.037 0.032 0.000 0.661 257 A CB -0.186 18.828 19.000 0.022 0.000 0.801 257 A HN 0.497 nan 8.150 nan 0.000 0.452 258 E N -0.478 119.742 120.200 0.033 0.000 2.474 258 E HA 0.217 4.568 4.350 0.001 0.000 0.195 258 E C 0.070 176.697 176.600 0.045 0.000 1.039 258 E CA -0.016 56.404 56.400 0.033 0.000 0.881 258 E CB 0.110 29.824 29.700 0.023 0.000 0.970 258 E HN 0.533 nan 8.360 nan 0.000 0.486 259 L N 2.385 123.645 121.223 0.061 0.000 2.358 259 L HA 0.382 4.722 4.340 0.001 0.000 0.268 259 L C -2.066 174.865 176.870 0.101 0.000 1.032 259 L CA -2.099 52.794 54.840 0.089 0.000 0.805 259 L CB 0.612 42.741 42.059 0.116 0.000 1.253 259 L HN -0.188 nan 8.230 nan 0.000 0.452 260 P HA 0.229 nan 4.420 nan 0.000 0.272 260 P C -2.597 174.786 177.300 0.137 0.000 1.230 260 P CA -1.336 61.832 63.100 0.114 0.000 0.788 260 P CB -0.454 31.324 31.700 0.131 0.000 0.949 261 P HA -0.009 nan 4.420 nan 0.000 0.266 261 P C 1.176 178.533 177.300 0.095 0.000 1.193 261 P CA 0.089 63.236 63.100 0.078 0.000 0.770 261 P CB 0.304 32.021 31.700 0.029 0.000 0.836 262 Q N 2.118 121.898 119.800 -0.034 0.000 2.112 262 Q HA -0.214 4.126 4.340 0.001 0.000 0.206 262 Q C 0.430 176.555 176.000 0.208 0.000 0.987 262 Q CA 1.524 57.181 55.803 -0.243 0.000 0.858 262 Q CB -0.052 28.118 28.738 -0.947 0.000 0.905 262 Q HN 0.398 nan 8.270 nan 0.000 0.420 263 N N 1.125 119.891 118.700 0.109 0.000 2.275 263 N HA 0.022 4.763 4.740 0.001 0.000 0.236 263 N C -1.137 174.310 175.510 -0.104 0.000 1.154 263 N CA 0.022 53.162 53.050 0.149 0.000 0.866 263 N CB 0.531 39.063 38.487 0.076 0.000 1.093 263 N HN 0.161 nan 8.380 nan 0.000 0.515 264 D N 1.100 121.440 120.400 -0.099 0.000 2.402 264 D HA 0.123 4.763 4.640 0.001 0.000 0.235 264 D C 1.184 177.196 176.300 -0.481 0.000 1.226 264 D CA -0.117 53.760 54.000 -0.206 0.000 0.918 264 D CB 0.504 41.260 40.800 -0.073 0.000 1.043 264 D HN 0.059 nan 8.370 nan 0.000 0.506 265 R N 2.508 122.548 120.500 -0.767 0.000 2.120 265 R HA -0.102 4.239 4.340 0.001 0.000 0.234 265 R C 1.957 177.960 176.300 -0.496 0.000 1.123 265 R CA 1.161 56.564 56.100 -1.162 0.000 0.975 265 R CB -0.025 29.637 30.300 -1.062 0.000 0.866 265 R HN 0.433 nan 8.270 nan 0.000 0.446 266 A N 1.271 123.918 122.820 -0.288 0.000 1.978 266 A HA -0.163 4.157 4.320 0.001 0.000 0.220 266 A C 1.755 179.310 177.584 -0.048 0.000 1.170 266 A CA 1.260 53.217 52.037 -0.132 0.000 0.636 266 A CB -0.191 18.749 19.000 -0.100 0.000 0.810 266 A HN 0.237 nan 8.150 nan 0.000 0.448 267 R N -2.219 118.263 120.500 -0.030 0.000 2.468 267 R HA 0.045 4.386 4.340 0.001 0.000 0.280 267 R C 0.991 177.423 176.300 0.220 0.000 0.963 267 R CA -0.370 55.776 56.100 0.077 0.000 1.083 267 R CB 0.025 30.367 30.300 0.071 0.000 1.200 267 R HN 0.618 nan 8.270 nan 0.000 0.541 268 W N 1.811 123.126 121.300 0.025 0.000 2.335 268 W HA -0.037 4.623 4.660 0.000 0.000 0.311 268 W C -0.904 175.640 176.519 0.041 0.000 1.213 268 W CA 0.834 58.199 57.345 0.033 0.000 1.274 268 W CB -1.734 27.727 29.460 0.002 0.000 1.148 268 W HN 0.055 nan 8.180 nan 0.000 0.498 269 P HA -0.230 nan 4.420 nan 0.000 0.216 269 P C 1.525 178.904 177.300 0.132 0.000 1.153 269 P CA 2.620 65.806 63.100 0.144 0.000 0.858 269 P CB -0.194 31.568 31.700 0.104 0.000 0.789 270 E N -0.613 119.668 120.200 0.135 0.000 2.051 270 E HA -0.205 4.145 4.350 0.001 0.000 0.192 270 E C 1.898 178.579 176.600 0.135 0.000 0.991 270 E CA 0.898 57.368 56.400 0.116 0.000 0.799 270 E CB -0.610 29.150 29.700 0.101 0.000 0.748 270 E HN -0.006 nan 8.360 nan 0.000 0.449 271 L N 1.648 122.979 121.223 0.181 0.000 2.042 271 L HA -0.172 4.168 4.340 0.001 0.000 0.210 271 L C 2.590 179.561 176.870 0.168 0.000 1.076 271 L CA 1.956 56.912 54.840 0.192 0.000 0.749 271 L CB -0.529 41.693 42.059 0.272 0.000 0.893 271 L HN 0.063 nan 8.230 nan 0.000 0.432 272 R N -0.795 119.804 120.500 0.165 0.000 2.092 272 R HA -0.119 4.221 4.340 0.001 0.000 0.231 272 R C 2.132 178.554 176.300 0.204 0.000 1.119 272 R CA 1.187 57.404 56.100 0.196 0.000 0.970 272 R CB -0.307 30.058 30.300 0.108 0.000 0.864 272 R HN 0.500 nan 8.270 nan 0.000 0.440 273 A N 0.992 123.897 122.820 0.141 0.000 1.933 273 A HA -0.123 4.197 4.320 0.001 0.000 0.218 273 A C 2.134 179.783 177.584 0.107 0.000 1.175 273 A CA 1.110 53.219 52.037 0.119 0.000 0.628 273 A CB -0.433 18.620 19.000 0.089 0.000 0.814 273 A HN 0.330 nan 8.150 nan 0.000 0.444 274 L N -0.696 120.581 121.223 0.090 0.000 2.027 274 L HA -0.145 4.196 4.340 0.001 0.000 0.206 274 L C 2.531 179.402 176.870 0.002 0.000 1.074 274 L CA 1.026 55.894 54.840 0.047 0.000 0.745 274 L CB -0.477 41.608 42.059 0.044 0.000 0.898 274 L HN 0.365 nan 8.230 nan 0.000 0.433 275 L N -1.101 120.126 121.223 0.007 0.000 2.093 275 L HA -0.172 4.168 4.340 0.001 0.000 0.208 275 L C 2.594 179.433 176.870 -0.052 0.000 1.085 275 L CA 1.298 56.052 54.840 -0.144 0.000 0.755 275 L CB -0.979 40.948 42.059 -0.220 0.000 0.904 275 L HN 0.250 nan 8.230 nan 0.000 0.435 276 T N -0.848 113.838 114.554 0.221 0.000 2.746 276 T HA -0.249 4.102 4.350 0.001 0.000 0.267 276 T C 1.795 176.616 174.700 0.202 0.000 1.039 276 T CA 1.620 63.930 62.100 0.350 0.000 1.142 276 T CB -0.143 68.900 68.868 0.292 0.000 0.866 276 T HN 0.395 nan 8.240 nan 0.000 0.444 277 E N 0.785 121.054 120.200 0.115 0.000 2.072 277 E HA -0.116 4.234 4.350 0.001 0.000 0.191 277 E C 2.389 179.032 176.600 0.071 0.000 0.985 277 E CA 0.982 57.434 56.400 0.086 0.000 0.801 277 E CB -0.175 29.560 29.700 0.058 0.000 0.750 277 E HN 0.471 nan 8.360 nan 0.000 0.452 278 A N 0.649 123.455 122.820 -0.023 0.000 1.845 278 A HA -0.154 4.166 4.320 0.001 0.000 0.215 278 A C 1.908 179.459 177.584 -0.054 0.000 1.195 278 A CA 1.353 53.322 52.037 -0.112 0.000 0.616 278 A CB -1.036 17.731 19.000 -0.389 0.000 0.832 278 A HN 0.340 nan 8.150 nan 0.000 0.443 279 F N 0.324 120.194 119.950 -0.134 0.000 2.202 279 F HA -0.102 4.425 4.527 0.000 0.000 0.301 279 F C 2.667 178.666 175.800 0.331 0.000 1.082 279 F CA 0.850 58.778 58.000 -0.120 0.000 1.313 279 F CB -0.488 38.339 39.000 -0.288 0.000 1.024 279 F HN 0.251 nan 8.300 nan 0.000 0.495 280 A N -0.670 122.380 122.820 0.384 0.000 2.168 280 A HA -0.078 4.242 4.320 0.001 0.000 0.215 280 A C 2.220 179.959 177.584 0.258 0.000 1.152 280 A CA 1.309 53.524 52.037 0.295 0.000 0.716 280 A CB -0.903 18.214 19.000 0.195 0.000 0.794 280 A HN 0.375 nan 8.150 nan 0.000 0.465 281 S N -1.225 114.670 115.700 0.325 0.000 2.470 281 S HA 0.068 4.538 4.470 0.001 0.000 0.225 281 S C 0.780 175.330 174.600 -0.083 0.000 1.006 281 S CA 0.054 58.340 58.200 0.142 0.000 0.934 281 S CB -0.243 63.054 63.200 0.162 0.000 0.778 281 S HN 0.642 nan 8.310 nan 0.000 0.517 282 H N 0.222 119.416 119.070 0.206 0.000 2.907 282 H HA 0.458 5.015 4.556 0.001 0.000 0.361 282 H C -1.071 174.256 175.328 -0.001 0.000 1.194 282 H CA -0.880 55.085 56.048 -0.139 0.000 1.152 282 H CB 1.180 30.512 29.762 -0.716 0.000 1.867 282 H HN 0.188 nan 8.280 nan 0.000 0.561 283 D N 0.599 121.016 120.400 0.028 0.000 2.360 283 D HA 0.010 4.650 4.640 0.001 0.000 0.242 283 D C 1.482 177.858 176.300 0.127 0.000 1.184 283 D CA -0.163 53.877 54.000 0.067 0.000 0.930 283 D CB 1.348 42.156 40.800 0.014 0.000 1.161 283 D HN 0.474 nan 8.370 nan 0.000 0.447 284 R N 0.794 121.395 120.500 0.169 0.000 2.091 284 R HA -0.175 4.165 4.340 0.001 0.000 0.238 284 R C 0.544 176.943 176.300 0.165 0.000 1.136 284 R CA 1.552 57.788 56.100 0.226 0.000 0.959 284 R CB 0.048 30.418 30.300 0.116 0.000 0.856 284 R HN 0.377 nan 8.270 nan 0.000 0.437 285 D N -0.781 119.663 120.400 0.074 0.000 2.269 285 D HA -0.153 4.487 4.640 0.001 0.000 0.208 285 D C 1.707 178.007 176.300 -0.000 0.000 0.963 285 D CA 0.769 54.792 54.000 0.038 0.000 0.864 285 D CB -0.453 40.354 40.800 0.012 0.000 0.936 285 D HN 0.455 nan 8.370 nan 0.000 0.505 286 H N -0.508 118.472 119.070 -0.150 0.000 2.321 286 H HA -0.148 4.408 4.556 0.000 0.000 0.300 286 H C 1.760 176.903 175.328 -0.308 0.000 1.087 286 H CA 1.521 57.373 56.048 -0.328 0.000 1.319 286 H CB -0.261 29.167 29.762 -0.557 0.000 1.379 286 H HN 0.251 nan 8.280 nan 0.000 0.501 287 W N 0.770 122.076 121.300 0.009 0.000 2.363 287 W HA -0.073 4.588 4.660 0.000 0.000 0.296 287 W C 2.933 179.516 176.519 0.106 0.000 1.212 287 W CA 0.518 57.921 57.345 0.097 0.000 1.260 287 W CB -0.632 29.070 29.460 0.405 0.000 1.131 287 W HN 0.297 nan 8.180 nan 0.000 0.530 288 G N 0.897 109.849 108.800 0.253 0.000 2.574 288 G HA2 -0.351 3.609 3.960 0.001 0.000 0.220 288 G HA3 -0.351 3.609 3.960 0.001 0.000 0.220 288 G C 1.614 176.548 174.900 0.056 0.000 1.173 288 G CA 1.989 47.172 45.100 0.138 0.000 0.772 288 G HN 0.358 nan 8.290 nan 0.000 0.585 289 A N -0.488 122.292 122.820 -0.065 0.000 1.930 289 A HA 0.260 4.580 4.320 0.001 0.000 0.215 289 A C 2.583 180.048 177.584 -0.198 0.000 1.176 289 A CA 1.540 53.502 52.037 -0.124 0.000 0.632 289 A CB -0.398 18.511 19.000 -0.151 0.000 0.819 289 A HN 0.275 nan 8.150 nan 0.000 0.445 290 V N -0.984 118.709 119.914 -0.367 0.000 2.407 290 V HA -0.219 3.902 4.120 0.001 0.000 0.248 290 V C 2.087 177.894 176.094 -0.479 0.000 1.055 290 V CA 1.951 63.944 62.300 -0.512 0.000 1.049 290 V CB -0.827 30.566 31.823 -0.718 0.000 0.662 290 V HN 0.571 nan 8.190 nan 0.000 0.455 291 F N -1.043 118.915 119.950 0.013 0.000 2.384 291 F HA 0.474 5.001 4.527 0.001 0.000 0.244 291 F C 2.160 177.951 175.800 -0.015 0.000 1.105 291 F CA 0.868 58.876 58.000 0.013 0.000 1.005 291 F CB -1.095 37.931 39.000 0.044 0.000 1.097 291 F HN 0.036 nan 8.300 nan 0.000 0.619 292 A N 0.292 123.230 122.820 0.197 0.000 2.630 292 A HA -0.419 3.902 4.320 0.001 0.000 0.234 292 A C 1.352 178.958 177.584 0.038 0.000 0.442 292 A CA 2.715 54.797 52.037 0.074 0.000 1.108 292 A CB -2.095 16.924 19.000 0.031 0.000 1.405 292 A HN 0.619 nan 8.150 nan 0.000 0.690 293 N N -0.911 117.814 118.700 0.041 0.000 2.273 293 N HA 0.263 5.004 4.740 0.001 0.000 0.192 293 N C 0.671 176.195 175.510 0.024 0.000 1.132 293 N CA 0.926 53.987 53.050 0.018 0.000 0.887 293 N CB 0.542 39.033 38.487 0.007 0.000 1.048 293 N HN 0.946 nan 8.380 nan 0.000 0.490 294 S N -0.546 115.191 115.700 0.062 0.000 2.738 294 S HA 0.313 4.783 4.470 0.001 0.000 0.284 294 S C 0.024 174.633 174.600 0.015 0.000 1.146 294 S CA -0.604 57.637 58.200 0.069 0.000 0.997 294 S CB 1.114 64.403 63.200 0.147 0.000 1.081 294 S HN -0.094 nan 8.310 nan 0.000 0.553 295 D N 0.496 120.903 120.400 0.011 0.000 2.434 295 D HA 0.362 5.003 4.640 0.001 0.000 0.232 295 D C 1.315 177.547 176.300 -0.114 0.000 1.166 295 D CA 0.195 54.117 54.000 -0.130 0.000 0.830 295 D CB -0.141 40.614 40.800 -0.075 0.000 0.960 295 D HN 0.625 nan 8.370 nan 0.000 0.497 296 A N -0.613 122.199 122.820 -0.013 0.000 2.206 296 A HA -0.014 4.307 4.320 0.001 0.000 0.211 296 A C 1.472 178.951 177.584 -0.176 0.000 1.158 296 A CA 0.003 52.015 52.037 -0.042 0.000 0.761 296 A CB -0.465 18.522 19.000 -0.022 0.000 0.801 296 A HN 0.408 nan 8.150 nan 0.000 0.473 297 C N -1.200 117.973 119.300 -0.212 0.000 4.365 297 C HA -0.108 4.352 4.460 0.001 0.000 0.299 297 C C 0.402 175.249 174.990 -0.237 0.000 1.409 297 C CA 0.211 59.104 59.018 -0.209 0.000 2.007 297 C CB -3.295 24.362 27.740 -0.138 0.000 1.264 297 C HN 0.404 nan 8.230 nan 0.000 0.777 298 V N 1.094 120.816 119.914 -0.319 0.000 2.384 298 V HA 0.765 4.886 4.120 0.001 0.000 0.287 298 V C 0.440 176.421 176.094 -0.189 0.000 1.020 298 V CA 0.395 62.464 62.300 -0.384 0.000 0.850 298 V CB 2.209 33.517 31.823 -0.859 0.000 0.987 298 V HN 0.585 nan 8.190 nan 0.000 0.436 299 T N 3.458 117.922 114.554 -0.149 0.000 2.909 299 T HA 0.643 4.993 4.350 0.001 0.000 0.299 299 T C -3.099 171.571 174.700 -0.049 0.000 1.073 299 T CA -2.240 59.816 62.100 -0.073 0.000 0.999 299 T CB 2.490 71.305 68.868 -0.088 0.000 1.098 299 T HN 0.432 nan 8.240 nan 0.000 0.477 300 P HA 0.263 nan 4.420 nan 0.000 0.275 300 P C -0.507 176.786 177.300 -0.011 0.000 1.227 300 P CA -0.418 62.694 63.100 0.019 0.000 0.781 300 P CB 0.769 32.486 31.700 0.029 0.000 0.906 301 V N 4.944 124.864 119.914 0.010 0.000 2.339 301 V HA 0.131 4.252 4.120 0.001 0.000 0.261 301 V C 0.767 176.855 176.094 -0.011 0.000 1.058 301 V CA -0.259 62.037 62.300 -0.007 0.000 0.897 301 V CB -0.184 31.655 31.823 0.027 0.000 1.052 301 V HN 0.385 nan 8.190 nan 0.000 0.480 302 L N 4.321 125.510 121.223 -0.056 0.000 2.326 302 L HA 0.624 4.964 4.340 0.001 0.000 0.278 302 L C 0.823 177.614 176.870 -0.131 0.000 1.092 302 L CA -0.175 54.621 54.840 -0.073 0.000 0.810 302 L CB 1.262 43.275 42.059 -0.076 0.000 1.153 302 L HN 0.660 nan 8.230 nan 0.000 0.439 303 A N 2.652 125.405 122.820 -0.111 0.000 2.322 303 A HA 0.343 4.663 4.320 0.001 0.000 0.269 303 A C 0.886 178.393 177.584 -0.129 0.000 1.094 303 A CA -0.286 51.653 52.037 -0.163 0.000 0.807 303 A CB 0.128 19.096 19.000 -0.053 0.000 1.047 303 A HN 0.732 nan 8.150 nan 0.000 0.487 304 F N 1.660 121.592 119.950 -0.029 0.000 2.082 304 F HA -0.318 4.210 4.527 0.000 0.000 0.298 304 F C 2.528 178.279 175.800 -0.081 0.000 1.091 304 F CA 1.954 59.916 58.000 -0.063 0.000 1.230 304 F CB -0.453 38.525 39.000 -0.038 0.000 0.983 304 F HN 0.688 nan 8.300 nan 0.000 0.485 305 G N -0.753 108.140 108.800 0.156 0.000 2.470 305 G HA2 -0.179 3.781 3.960 0.001 0.000 0.220 305 G HA3 -0.179 3.781 3.960 0.001 0.000 0.220 305 G C 1.310 176.276 174.900 0.111 0.000 1.121 305 G CA 0.789 45.958 45.100 0.115 0.000 0.766 305 G HN 0.425 nan 8.290 nan 0.000 0.553 306 E N -0.184 120.022 120.200 0.010 0.000 2.400 306 E HA 0.088 4.439 4.350 0.001 0.000 0.195 306 E C 2.424 178.894 176.600 -0.216 0.000 1.012 306 E CA -0.184 56.158 56.400 -0.096 0.000 0.875 306 E CB 0.320 29.970 29.700 -0.084 0.000 0.859 306 E HN 0.271 nan 8.360 nan 0.000 0.498 307 V N 2.825 122.633 119.914 -0.176 0.000 2.332 307 V HA -0.285 3.836 4.120 0.001 0.000 0.248 307 V C 2.490 178.352 176.094 -0.385 0.000 1.055 307 V CA 2.195 64.348 62.300 -0.244 0.000 1.038 307 V CB -0.867 30.805 31.823 -0.252 0.000 0.651 307 V HN 0.532 nan 8.190 nan 0.000 0.450 308 H N -0.325 118.373 119.070 -0.620 0.000 2.545 308 H HA -0.040 4.516 4.556 0.000 0.000 0.282 308 H C 1.394 176.437 175.328 -0.474 0.000 1.020 308 H CA 1.341 56.851 56.048 -0.897 0.000 1.243 308 H CB -0.348 28.453 29.762 -1.602 0.000 1.377 308 H HN 0.414 nan 8.280 nan 0.000 0.581 309 N N 0.788 118.996 118.700 -0.821 0.000 2.336 309 N HA -0.027 4.714 4.740 0.001 0.000 0.189 309 N C 0.050 175.412 175.510 -0.247 0.000 1.113 309 N CA 0.175 52.926 53.050 -0.499 0.000 0.858 309 N CB 0.345 38.545 38.487 -0.478 0.000 0.970 309 N HN 0.440 nan 8.380 nan 0.000 0.471 310 E N 1.337 121.414 120.200 -0.204 0.000 2.223 310 E HA 0.176 4.526 4.350 0.001 0.000 0.282 310 E C -1.707 174.869 176.600 -0.040 0.000 1.046 310 E CA -2.000 54.345 56.400 -0.091 0.000 0.857 310 E CB 1.264 30.933 29.700 -0.053 0.000 1.055 310 E HN -0.026 nan 8.360 nan 0.000 0.409 311 P HA -0.210 nan 4.420 nan 0.000 0.216 311 P C 0.673 177.996 177.300 0.039 0.000 1.157 311 P CA 1.437 64.544 63.100 0.012 0.000 0.880 311 P CB 0.039 31.753 31.700 0.024 0.000 0.791 312 H N -0.843 118.222 119.070 -0.008 0.000 2.387 312 H HA -0.090 4.466 4.556 0.000 0.000 0.299 312 H C 1.839 177.180 175.328 0.022 0.000 1.090 312 H CA 1.311 57.362 56.048 0.005 0.000 1.332 312 H CB -0.603 29.160 29.762 0.001 0.000 1.386 312 H HN -0.069 nan 8.280 nan 0.000 0.516 313 I N 0.288 120.893 120.570 0.059 0.000 2.179 313 I HA -0.248 3.922 4.170 0.001 0.000 0.242 313 I C 2.358 178.493 176.117 0.030 0.000 1.088 313 I CA 1.264 62.603 61.300 0.065 0.000 1.357 313 I CB -0.979 37.077 38.000 0.093 0.000 1.051 313 I HN 0.363 nan 8.210 nan 0.000 0.409 314 I N 0.727 121.294 120.570 -0.004 0.000 2.179 314 I HA -0.268 3.902 4.170 0.001 0.000 0.242 314 I C 2.530 178.659 176.117 0.020 0.000 1.088 314 I CA 1.363 62.674 61.300 0.018 0.000 1.357 314 I CB -0.456 37.545 38.000 0.002 0.000 1.051 314 I HN 0.247 nan 8.210 nan 0.000 0.409 315 E N 0.852 121.031 120.200 -0.035 0.000 2.150 315 E HA -0.150 4.201 4.350 0.001 0.000 0.193 315 E C 2.036 178.597 176.600 -0.064 0.000 0.985 315 E CA 0.921 57.294 56.400 -0.045 0.000 0.814 315 E CB -0.182 29.474 29.700 -0.074 0.000 0.752 315 E HN 0.537 nan 8.360 nan 0.000 0.466 316 R N 0.572 120.999 120.500 -0.122 0.000 2.317 316 R HA 0.090 4.431 4.340 0.001 0.000 0.208 316 R C -0.019 176.262 176.300 -0.032 0.000 0.914 316 R CA -0.111 55.921 56.100 -0.114 0.000 1.060 316 R CB 0.129 30.292 30.300 -0.229 0.000 1.015 316 R HN 0.085 nan 8.270 nan 0.000 0.498 317 N N 0.907 119.625 118.700 0.030 0.000 2.725 317 N HA -0.169 4.572 4.740 0.001 0.000 0.251 317 N C 0.196 175.755 175.510 0.081 0.000 1.031 317 N CA 1.023 54.138 53.050 0.108 0.000 0.720 317 N CB -0.974 37.572 38.487 0.098 0.000 0.930 317 N HN 0.212 nan 8.380 nan 0.000 0.543 318 T N -1.046 113.532 114.554 0.039 0.000 2.833 318 T HA -0.048 4.303 4.350 0.001 0.000 0.269 318 T C 0.581 175.077 174.700 -0.340 0.000 1.054 318 T CA 1.194 63.206 62.100 -0.146 0.000 1.135 318 T CB 0.010 68.798 68.868 -0.133 0.000 0.869 318 T HN 0.313 nan 8.240 nan 0.000 0.466 319 F N -0.036 120.050 119.950 0.228 0.000 2.579 319 F HA 0.556 5.083 4.527 0.000 0.000 0.324 319 F C -0.475 175.646 175.800 0.535 0.000 1.058 319 F CA -1.820 56.399 58.000 0.364 0.000 0.944 319 F CB 1.565 40.794 39.000 0.383 0.000 1.245 319 F HN 0.063 nan 8.300 nan 0.000 0.477 320 Y N -1.512 119.088 120.300 0.499 0.000 2.536 320 Y HA 0.615 5.166 4.550 0.001 0.000 0.347 320 Y C -0.910 174.955 175.900 -0.058 0.000 1.000 320 Y CA -1.384 56.844 58.100 0.214 0.000 1.051 320 Y CB 1.010 39.516 38.460 0.077 0.000 1.259 320 Y HN 0.520 nan 8.280 nan 0.000 0.468 321 E N 2.499 122.372 120.200 -0.545 0.000 2.129 321 E HA 0.430 4.780 4.350 0.001 0.000 0.283 321 E C -0.163 176.223 176.600 -0.357 0.000 1.080 321 E CA -0.377 55.535 56.400 -0.813 0.000 0.867 321 E CB 1.090 30.245 29.700 -0.908 0.000 1.056 321 E HN 0.809 nan 8.360 nan 0.000 0.404 322 A N 4.230 126.799 122.820 -0.418 0.000 2.267 322 A HA 0.092 4.412 4.320 0.001 0.000 0.276 322 A C 0.376 177.865 177.584 -0.158 0.000 1.336 322 A CA -0.577 51.372 52.037 -0.146 0.000 0.815 322 A CB 0.162 19.074 19.000 -0.146 0.000 1.256 322 A HN 0.760 nan 8.150 nan 0.000 0.512 323 N N -0.777 117.869 118.700 -0.091 0.000 2.530 323 N HA 0.365 5.105 4.740 0.001 0.000 0.273 323 N C 0.707 176.149 175.510 -0.114 0.000 1.173 323 N CA 0.459 53.450 53.050 -0.099 0.000 0.967 323 N CB 0.732 39.184 38.487 -0.059 0.000 1.109 323 N HN 1.765 nan 8.380 nan 0.000 0.453 324 G N -0.449 108.279 108.800 -0.121 0.000 2.166 324 G HA2 0.038 3.999 3.960 0.001 0.000 0.260 324 G HA3 0.038 3.999 3.960 0.001 0.000 0.260 324 G C 0.382 175.207 174.900 -0.125 0.000 0.986 324 G CA 0.688 45.725 45.100 -0.105 0.000 0.683 324 G HN 1.456 nan 8.290 nan 0.000 0.527 325 G N -2.816 105.864 108.800 -0.201 0.000 2.340 325 G HA2 0.419 4.379 3.960 0.001 0.000 0.300 325 G HA3 0.419 4.379 3.960 0.001 0.000 0.300 325 G C -0.709 174.012 174.900 -0.298 0.000 1.488 325 G CA -0.355 44.630 45.100 -0.192 0.000 0.878 325 G HN 0.719 nan 8.290 nan 0.000 0.618 326 W N 0.908 122.081 121.300 -0.212 0.000 2.238 326 W HA 0.596 5.257 4.660 0.000 0.000 0.321 326 W C 0.507 176.913 176.519 -0.188 0.000 1.293 326 W CA 0.037 57.253 57.345 -0.215 0.000 1.204 326 W CB 1.003 30.311 29.460 -0.253 0.000 1.167 326 W HN 0.341 nan 8.180 nan 0.000 0.553 327 Q N 3.975 123.712 119.800 -0.105 0.000 2.423 327 Q HA 0.370 4.710 4.340 0.001 0.000 0.278 327 Q C -2.444 173.667 176.000 0.186 0.000 1.097 327 Q CA -2.355 53.402 55.803 -0.076 0.000 0.809 327 Q CB 1.707 30.192 28.738 -0.422 0.000 1.391 327 Q HN 0.144 nan 8.270 nan 0.000 0.428 328 P HA 0.071 nan 4.420 nan 0.000 0.271 328 P C -0.171 177.224 177.300 0.157 0.000 1.220 328 P CA -0.078 62.956 63.100 -0.109 0.000 0.768 328 P CB 0.505 32.115 31.700 -0.151 0.000 0.848 329 M N 4.521 124.194 119.600 0.122 0.000 2.240 329 M HA 0.165 4.645 4.480 0.001 0.000 0.317 329 M C -1.832 174.475 176.300 0.011 0.000 1.087 329 M CA -1.521 53.848 55.300 0.115 0.000 1.176 329 M CB -1.118 31.520 32.600 0.064 0.000 1.439 329 M HN 0.186 nan 8.290 nan 0.000 0.452 330 P HA 0.154 nan 4.420 nan 0.000 0.265 330 P C -1.287 176.014 177.300 0.001 0.000 1.187 330 P CA 0.138 63.239 63.100 0.002 0.000 0.766 330 P CB 0.454 32.164 31.700 0.017 0.000 0.820 331 A N 3.488 126.309 122.820 0.002 0.000 2.498 331 A HA 0.762 5.082 4.320 0.001 0.000 0.298 331 A C -2.421 175.168 177.584 0.009 0.000 1.075 331 A CA -1.250 50.773 52.037 -0.023 0.000 0.714 331 A CB 0.693 19.665 19.000 -0.047 0.000 1.299 331 A HN 0.403 nan 8.150 nan 0.000 0.407 332 P HA 0.464 nan 4.420 nan 0.000 0.307 332 P C -0.817 176.281 177.300 -0.337 0.000 1.306 332 P CA -0.398 62.571 63.100 -0.218 0.000 0.742 332 P CB 0.591 32.100 31.700 -0.318 0.000 1.349 333 R N -1.113 119.127 120.500 -0.434 0.000 2.604 333 R HA 0.616 4.957 4.340 0.001 0.000 0.287 333 R C -0.771 175.181 176.300 -0.581 0.000 0.970 333 R CA -0.433 55.471 56.100 -0.326 0.000 0.946 333 R CB 0.867 31.082 30.300 -0.140 0.000 1.127 333 R HN 0.356 nan 8.270 nan 0.000 0.473 334 F N -0.117 119.820 119.950 -0.021 0.000 2.529 334 F HA 0.174 4.701 4.527 0.000 0.000 0.320 334 F C 1.384 177.175 175.800 -0.015 0.000 1.118 334 F CA -0.715 57.274 58.000 -0.018 0.000 0.915 334 F CB 2.188 41.177 39.000 -0.019 0.000 1.161 334 F HN 0.594 nan 8.300 nan 0.000 0.445 335 S N 1.874 117.645 115.700 0.119 0.000 2.406 335 S HA -0.098 4.372 4.470 0.001 0.000 0.228 335 S C 1.839 176.482 174.600 0.073 0.000 1.020 335 S CA 1.011 59.252 58.200 0.068 0.000 0.965 335 S CB -0.063 63.159 63.200 0.037 0.000 0.798 335 S HN 0.770 nan 8.310 nan 0.000 0.488 336 R N 1.472 122.028 120.500 0.093 0.000 2.121 336 R HA 0.080 4.421 4.340 0.001 0.000 0.206 336 R C 0.250 176.577 176.300 0.045 0.000 1.094 336 R CA 1.265 57.400 56.100 0.057 0.000 1.055 336 R CB 0.029 30.356 30.300 0.045 0.000 0.964 336 R HN 0.498 nan 8.270 nan 0.000 0.473 337 T N -0.395 114.189 114.554 0.050 0.000 3.355 337 T HA 0.620 4.970 4.350 0.001 0.000 0.376 337 T C -0.145 174.562 174.700 0.012 0.000 1.683 337 T CA -0.632 61.463 62.100 -0.009 0.000 1.269 337 T CB 1.126 69.942 68.868 -0.086 0.000 1.158 337 T HN 0.286 nan 8.240 nan 0.000 0.703 338 A N 2.606 125.458 122.820 0.054 0.000 2.462 338 A HA 0.557 4.877 4.320 0.001 0.000 0.243 338 A C 0.788 178.391 177.584 0.032 0.000 1.076 338 A CA -0.508 51.581 52.037 0.087 0.000 0.773 338 A CB 0.037 19.073 19.000 0.060 0.000 1.010 338 A HN 0.735 nan 8.150 nan 0.000 0.493 339 S N 1.266 117.003 115.700 0.061 0.000 2.585 339 S HA 0.317 4.788 4.470 0.001 0.000 0.273 339 S C 0.735 175.322 174.600 -0.021 0.000 1.339 339 S CA -0.443 57.760 58.200 0.004 0.000 1.028 339 S CB 0.689 63.908 63.200 0.032 0.000 0.906 339 S HN 0.771 nan 8.310 nan 0.000 0.528 340 S N 1.470 117.140 115.700 -0.050 0.000 2.632 340 S HA 0.188 4.659 4.470 0.001 0.000 0.267 340 S C 0.179 174.706 174.600 -0.121 0.000 1.276 340 S CA -0.719 57.438 58.200 -0.072 0.000 0.998 340 S CB 0.497 63.656 63.200 -0.069 0.000 0.953 340 S HN 0.738 nan 8.310 nan 0.000 0.547 341 Q N 1.367 121.069 119.800 -0.162 0.000 2.300 341 Q HA 0.100 4.440 4.340 0.001 0.000 0.280 341 Q C -2.410 173.402 176.000 -0.314 0.000 1.033 341 Q CA -1.215 54.398 55.803 -0.316 0.000 0.903 341 Q CB 0.059 28.608 28.738 -0.315 0.000 1.195 341 Q HN 0.222 nan 8.270 nan 0.000 0.386 342 P HA -0.035 nan 4.420 nan 0.000 0.266 342 P C -1.142 176.065 177.300 -0.154 0.000 1.195 342 P CA 0.430 63.394 63.100 -0.227 0.000 0.768 342 P CB 0.512 32.113 31.700 -0.166 0.000 0.838 343 R N 4.625 125.080 120.500 -0.074 0.000 2.340 343 R HA 0.263 4.604 4.340 0.001 0.000 0.300 343 R C -1.858 174.441 176.300 -0.002 0.000 1.069 343 R CA -1.544 54.534 56.100 -0.038 0.000 0.984 343 R CB -0.023 30.260 30.300 -0.028 0.000 1.003 343 R HN 0.438 nan 8.270 nan 0.000 0.459 344 P HA 0.070 nan 4.420 nan 0.000 0.270 344 P C -2.486 174.826 177.300 0.020 0.000 1.223 344 P CA -1.359 61.763 63.100 0.037 0.000 0.785 344 P CB -0.180 31.540 31.700 0.033 0.000 0.923 345 P HA 0.092 nan 4.420 nan 0.000 0.262 345 P C -0.416 176.887 177.300 0.005 0.000 1.182 345 P CA 0.851 63.958 63.100 0.012 0.000 0.761 345 P CB 0.060 31.768 31.700 0.014 0.000 0.795 346 A N 3.070 125.890 122.820 -0.001 0.000 2.347 346 A HA 0.798 5.118 4.320 0.001 0.000 0.301 346 A C -0.252 177.327 177.584 -0.008 0.000 1.163 346 A CA -0.519 51.514 52.037 -0.006 0.000 0.860 346 A CB 0.810 19.804 19.000 -0.009 0.000 1.367 346 A HN 0.533 nan 8.150 nan 0.000 0.461 347 A N -0.048 122.766 122.820 -0.010 0.000 2.507 347 A HA 0.479 4.800 4.320 0.001 0.000 0.235 347 A C 0.718 178.292 177.584 -0.017 0.000 1.070 347 A CA 0.460 52.490 52.037 -0.012 0.000 0.768 347 A CB -0.703 18.290 19.000 -0.013 0.000 1.011 347 A HN 0.913 nan 8.150 nan 0.000 0.502 348 T N 1.530 116.074 114.554 -0.017 0.000 2.933 348 T HA 0.258 4.608 4.350 0.001 0.000 0.306 348 T C 0.521 175.202 174.700 -0.031 0.000 1.045 348 T CA 1.108 63.194 62.100 -0.023 0.000 1.143 348 T CB -0.362 68.494 68.868 -0.020 0.000 1.003 348 T HN 0.652 nan 8.240 nan 0.000 0.540 349 I N 1.189 121.733 120.570 -0.043 0.000 2.566 349 I HA 0.511 4.681 4.170 0.001 0.000 0.303 349 I C 0.029 176.111 176.117 -0.059 0.000 0.983 349 I CA -0.966 60.302 61.300 -0.053 0.000 1.235 349 I CB 1.331 39.290 38.000 -0.069 0.000 1.386 349 I HN 0.346 nan 8.210 nan 0.000 0.494 350 D N 4.628 124.994 120.400 -0.057 0.000 2.383 350 D HA 0.053 4.693 4.640 0.001 0.000 0.252 350 D C 0.994 177.246 176.300 -0.080 0.000 1.166 350 D CA 0.239 54.206 54.000 -0.056 0.000 0.879 350 D CB 0.881 41.654 40.800 -0.045 0.000 1.164 350 D HN 0.680 nan 8.370 nan 0.000 0.462 351 I N 3.463 123.986 120.570 -0.078 0.000 2.264 351 I HA -0.253 3.917 4.170 0.001 0.000 0.248 351 I C 1.527 177.581 176.117 -0.104 0.000 1.111 351 I CA 1.202 62.441 61.300 -0.102 0.000 1.382 351 I CB 0.180 38.134 38.000 -0.078 0.000 1.060 351 I HN 0.472 nan 8.210 nan 0.000 0.418 352 E N 1.265 121.422 120.200 -0.071 0.000 2.153 352 E HA -0.211 4.139 4.350 0.001 0.000 0.194 352 E C 2.172 178.731 176.600 -0.068 0.000 0.988 352 E CA 1.298 57.664 56.400 -0.057 0.000 0.811 352 E CB -0.534 29.144 29.700 -0.036 0.000 0.746 352 E HN 0.650 nan 8.360 nan 0.000 0.466 353 A N 1.362 124.135 122.820 -0.078 0.000 1.968 353 A HA -0.042 4.278 4.320 0.001 0.000 0.217 353 A C 2.578 180.089 177.584 -0.122 0.000 1.169 353 A CA 0.896 52.886 52.037 -0.079 0.000 0.638 353 A CB -0.453 18.506 19.000 -0.068 0.000 0.812 353 A HN 0.131 nan 8.150 nan 0.000 0.446 354 V N -0.016 119.780 119.914 -0.197 0.000 2.379 354 V HA -0.201 3.919 4.120 0.001 0.000 0.245 354 V C 2.525 178.407 176.094 -0.353 0.000 1.044 354 V CA 1.733 63.813 62.300 -0.366 0.000 1.036 354 V CB -0.622 30.885 31.823 -0.527 0.000 0.664 354 V HN 0.572 nan 8.190 nan 0.000 0.453 355 L N -0.489 120.608 121.223 -0.209 0.000 2.083 355 L HA -0.193 4.147 4.340 0.001 0.000 0.209 355 L C 2.636 179.509 176.870 0.006 0.000 1.083 355 L CA 1.884 56.681 54.840 -0.071 0.000 0.752 355 L CB -0.843 41.193 42.059 -0.038 0.000 0.899 355 L HN 0.348 nan 8.230 nan 0.000 0.433 356 T N -0.932 113.610 114.554 -0.020 0.000 2.684 356 T HA -0.252 4.098 4.350 0.001 0.000 0.267 356 T C 1.508 176.232 174.700 0.041 0.000 1.036 356 T CA 1.888 63.993 62.100 0.009 0.000 1.148 356 T CB -0.240 68.623 68.868 -0.009 0.000 0.863 356 T HN 0.383 nan 8.240 nan 0.000 0.436 357 D N -0.188 120.224 120.400 0.021 0.000 2.092 357 D HA -0.129 4.511 4.640 0.001 0.000 0.193 357 D C 1.513 177.966 176.300 0.254 0.000 0.994 357 D CA 1.099 55.152 54.000 0.089 0.000 0.828 357 D CB -0.236 40.577 40.800 0.022 0.000 0.963 357 D HN 0.415 nan 8.370 nan 0.000 0.450 358 W N 0.833 122.129 121.300 -0.007 0.000 2.825 358 W HA 0.145 4.806 4.660 0.000 0.000 0.243 358 W C 0.273 176.789 176.519 -0.006 0.000 1.293 358 W CA 0.857 58.197 57.345 -0.008 0.000 1.403 358 W CB -0.743 28.713 29.460 -0.007 0.000 1.134 358 W HN 0.116 nan 8.180 nan 0.000 0.666 359 D N -2.236 118.284 120.400 0.200 0.000 2.981 359 D HA -0.132 4.508 4.640 0.001 0.000 0.223 359 D C 0.792 177.158 176.300 0.110 0.000 1.151 359 D CA 1.345 55.413 54.000 0.113 0.000 0.827 359 D CB -1.286 39.560 40.800 0.077 0.000 1.101 359 D HN 0.201 nan 8.370 nan 0.000 0.426 360 G N 0.000 108.887 108.800 0.145 0.000 5.446 360 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 360 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 360 G CA 0.000 45.174 45.100 0.123 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925