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 1ylo_1_D DATA FIRST_RESID 0 DATA SEQUENCE AXDLSLLKAL SEADAIASSE QEVRQILLEE AARLQKEVRF DGLGSVLIRL DATA SEQUENCE NESTGPKVXI CAHXDEVGFX VRSISREGAI DVLPVGNVRX AARQLQPVRI DATA SEQUENCE TTREECKIPG LLDGDRQGND VSAXRVDIGA RTYDEVXQAG IRPGDRVTFD DATA SEQUENCE TTFQVLPHQR VXGKAFDDRL SCYLLVTLLR ELHDAELPAE VWLVASSSEE DATA SEQUENCE VGLRGGQTAT RAVSPDVAIV LDTACWAKNF DYGAANHRQI GNGPXLVLSD DATA SEQUENCE KSLIAPPKLT AWIETVAAEI GVPLQADXFS NGGTDGGAVH LTGTGVPTLV DATA SEQUENCE XGPATRHGHC AASIADCRDI LQXEQLLSAL IQRLTRETVV QLTDFR 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.632 177.584 0.080 0.000 1.274 0 A CA 0.000 52.066 52.037 0.048 0.000 0.836 0 A CB 0.000 19.023 19.000 0.039 0.000 0.831 3 L N 1.278 122.552 121.223 0.086 0.000 2.201 3 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 3 L C 2.463 179.296 176.870 -0.062 0.000 1.105 3 L CA 1.443 56.303 54.840 0.035 0.000 0.775 3 L CB -0.341 41.804 42.059 0.144 0.000 0.913 3 L HN 0.375 nan 8.230 nan 0.000 0.440 4 S N 0.166 115.862 115.700 -0.007 0.000 2.402 4 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 4 S C 1.910 176.476 174.600 -0.058 0.000 1.021 4 S CA 0.834 59.015 58.200 -0.031 0.000 0.974 4 S CB -0.525 62.676 63.200 0.002 0.000 0.800 4 S HN 0.316 nan 8.310 nan 0.000 0.484 5 L N 0.727 121.943 121.223 -0.012 0.000 2.056 5 L HA 0.225 4.565 4.340 -0.000 0.000 0.207 5 L C 2.220 179.091 176.870 0.001 0.000 1.078 5 L CA 1.364 56.210 54.840 0.010 0.000 0.749 5 L CB -0.846 41.232 42.059 0.031 0.000 0.901 5 L HN 0.370 nan 8.230 nan 0.000 0.433 6 L N -0.058 121.136 121.223 -0.048 0.000 2.093 6 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 6 L C 2.560 179.058 176.870 -0.620 0.000 1.085 6 L CA 1.945 56.612 54.840 -0.287 0.000 0.755 6 L CB -0.904 40.848 42.059 -0.512 0.000 0.904 6 L HN 0.416 nan 8.230 nan 0.000 0.435 7 K N -0.612 119.280 120.400 -0.846 0.000 2.032 7 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 7 K C 1.969 178.436 176.600 -0.222 0.000 1.048 7 K CA 1.540 57.408 56.287 -0.699 0.000 0.927 7 K CB -0.248 32.043 32.500 -0.348 0.000 0.712 7 K HN 0.407 nan 8.250 nan 0.000 0.441 8 A N 1.251 123.990 122.820 -0.135 0.000 1.902 8 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 8 A C 2.153 179.728 177.584 -0.014 0.000 1.181 8 A CA 1.323 53.334 52.037 -0.043 0.000 0.623 8 A CB -0.538 18.446 19.000 -0.027 0.000 0.818 8 A HN 0.337 nan 8.150 nan 0.000 0.443 9 L N -0.966 120.245 121.223 -0.020 0.000 2.044 9 L HA -0.123 4.216 4.340 -0.000 0.000 0.205 9 L C 2.951 179.860 176.870 0.064 0.000 1.075 9 L CA 1.460 56.316 54.840 0.026 0.000 0.747 9 L CB -0.413 41.671 42.059 0.042 0.000 0.903 9 L HN 0.505 nan 8.230 nan 0.000 0.435 10 S N -0.134 115.610 115.700 0.074 0.000 2.368 10 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 10 S C 1.773 176.470 174.600 0.162 0.000 1.030 10 S CA 1.508 59.829 58.200 0.200 0.000 0.999 10 S CB -0.123 63.303 63.200 0.378 0.000 0.844 10 S HN 0.452 nan 8.310 nan 0.000 0.459 11 E N 0.933 121.202 120.200 0.115 0.000 2.371 11 E HA 0.223 4.573 4.350 -0.000 0.000 0.194 11 E C 0.791 177.441 176.600 0.083 0.000 1.012 11 E CA 0.238 56.702 56.400 0.107 0.000 0.860 11 E CB -0.076 29.681 29.700 0.095 0.000 0.811 11 E HN 0.608 nan 8.360 nan 0.000 0.502 12 A N 2.086 124.948 122.820 0.070 0.000 2.531 12 A HA -0.017 4.303 4.320 -0.000 0.000 0.236 12 A C -0.336 177.289 177.584 0.068 0.000 1.062 12 A CA 0.135 52.207 52.037 0.059 0.000 0.760 12 A CB 0.230 19.261 19.000 0.052 0.000 0.995 12 A HN -0.040 nan 8.150 nan 0.000 0.501 13 D N 1.390 121.824 120.400 0.057 0.000 2.412 13 D HA 0.540 5.180 4.640 -0.000 0.000 0.224 13 D C -0.393 175.934 176.300 0.045 0.000 1.093 13 D CA 0.618 54.650 54.000 0.054 0.000 0.850 13 D CB 1.365 42.193 40.800 0.046 0.000 1.046 13 D HN 0.695 nan 8.370 nan 0.000 0.507 14 A N 2.987 125.837 122.820 0.050 0.000 2.442 14 A HA 0.648 4.968 4.320 -0.000 0.000 0.284 14 A C -0.360 177.250 177.584 0.043 0.000 1.058 14 A CA -0.769 51.295 52.037 0.046 0.000 0.738 14 A CB 0.652 19.686 19.000 0.056 0.000 1.242 14 A HN 0.555 nan 8.150 nan 0.000 0.421 15 I N -0.672 119.913 120.570 0.026 0.000 3.206 15 I HA 0.919 5.089 4.170 -0.000 0.000 0.313 15 I C 0.526 176.652 176.117 0.015 0.000 1.103 15 I CA -1.447 59.861 61.300 0.012 0.000 0.985 15 I CB 1.881 39.870 38.000 -0.018 0.000 1.240 15 I HN 0.744 nan 8.210 nan 0.000 0.464 16 A N 1.917 124.739 122.820 0.003 0.000 2.580 16 A HA 0.293 4.613 4.320 -0.000 0.000 0.244 16 A C 1.096 178.683 177.584 0.005 0.000 1.045 16 A CA 0.966 53.005 52.037 0.004 0.000 0.761 16 A CB -0.713 18.280 19.000 -0.011 0.000 0.962 16 A HN 1.190 nan 8.150 nan 0.000 0.512 17 S N 0.487 116.194 115.700 0.011 0.000 2.691 17 S HA -0.164 4.306 4.470 -0.000 0.000 0.262 17 S C 0.530 175.132 174.600 0.003 0.000 1.284 17 S CA 1.523 59.726 58.200 0.005 0.000 1.372 17 S CB -1.455 61.745 63.200 -0.000 0.000 1.693 17 S HN 1.322 nan 8.310 nan 0.000 0.647 18 S N 0.678 116.383 115.700 0.009 0.000 2.158 18 S HA 0.380 4.850 4.470 -0.000 0.000 0.160 18 S C 0.040 174.652 174.600 0.019 0.000 1.693 18 S CA -0.584 57.622 58.200 0.009 0.000 1.251 18 S CB 1.028 64.231 63.200 0.006 0.000 1.153 18 S HN 0.408 nan 8.310 nan 0.000 0.439 19 E N 1.339 121.554 120.200 0.024 0.000 2.624 19 E HA 0.012 4.362 4.350 -0.000 0.000 0.210 19 E C 2.002 178.625 176.600 0.038 0.000 0.997 19 E CA -0.132 56.292 56.400 0.040 0.000 0.999 19 E CB 0.362 30.096 29.700 0.056 0.000 1.040 19 E HN 0.529 nan 8.360 nan 0.000 0.469 20 Q N 0.917 120.731 119.800 0.023 0.000 2.135 20 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 20 Q C 1.187 177.204 176.000 0.029 0.000 0.981 20 Q CA 1.532 57.347 55.803 0.019 0.000 0.856 20 Q CB -0.246 28.494 28.738 0.003 0.000 0.902 20 Q HN 0.388 nan 8.270 nan 0.000 0.425 21 E N 0.428 120.646 120.200 0.030 0.000 2.118 21 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 21 E C 2.186 178.809 176.600 0.038 0.000 0.992 21 E CA 1.471 57.890 56.400 0.032 0.000 0.804 21 E CB 0.111 29.831 29.700 0.033 0.000 0.741 21 E HN 0.228 nan 8.360 nan 0.000 0.458 22 V N 0.731 120.672 119.914 0.046 0.000 2.379 22 V HA -0.171 3.948 4.120 -0.000 0.000 0.243 22 V C 2.366 178.494 176.094 0.057 0.000 1.035 22 V CA 1.533 63.863 62.300 0.050 0.000 1.035 22 V CB -0.414 31.444 31.823 0.058 0.000 0.673 22 V HN 0.159 nan 8.190 nan 0.000 0.457 23 R N 0.192 120.734 120.500 0.070 0.000 2.103 23 R HA -0.299 4.041 4.340 -0.000 0.000 0.242 23 R C 2.383 178.736 176.300 0.088 0.000 1.142 23 R CA 2.339 58.498 56.100 0.099 0.000 0.960 23 R CB -0.322 30.047 30.300 0.114 0.000 0.858 23 R HN 0.471 nan 8.270 nan 0.000 0.439 24 Q N 0.770 120.607 119.800 0.062 0.000 2.096 24 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 24 Q C 1.917 177.939 176.000 0.036 0.000 0.982 24 Q CA 2.020 57.852 55.803 0.049 0.000 0.850 24 Q CB -0.243 28.515 28.738 0.033 0.000 0.901 24 Q HN 0.547 nan 8.270 nan 0.000 0.422 25 I N -0.434 120.153 120.570 0.029 0.000 2.208 25 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 25 I C 1.653 177.774 176.117 0.007 0.000 1.097 25 I CA 0.628 61.936 61.300 0.013 0.000 1.363 25 I CB -0.315 37.692 38.000 0.011 0.000 1.051 25 I HN 0.233 nan 8.210 nan 0.000 0.413 26 L N -0.274 120.962 121.223 0.022 0.000 2.017 26 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 26 L C 2.318 179.195 176.870 0.012 0.000 1.073 26 L CA 1.690 56.539 54.840 0.014 0.000 0.745 26 L CB -1.116 40.965 42.059 0.037 0.000 0.894 26 L HN 0.162 nan 8.230 nan 0.000 0.432 27 L N -0.578 120.672 121.223 0.044 0.000 2.083 27 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 27 L C 2.524 179.403 176.870 0.016 0.000 1.083 27 L CA 1.456 56.324 54.840 0.047 0.000 0.752 27 L CB -0.915 41.206 42.059 0.103 0.000 0.899 27 L HN 0.348 nan 8.230 nan 0.000 0.433 28 E N -0.966 119.239 120.200 0.009 0.000 2.077 28 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 28 E C 2.092 178.674 176.600 -0.031 0.000 0.989 28 E CA 0.978 57.373 56.400 -0.008 0.000 0.800 28 E CB 0.065 29.760 29.700 -0.007 0.000 0.746 28 E HN 0.420 nan 8.360 nan 0.000 0.452 29 E N 0.267 120.443 120.200 -0.040 0.000 2.077 29 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 29 E C 2.065 178.618 176.600 -0.079 0.000 0.989 29 E CA 1.086 57.446 56.400 -0.067 0.000 0.800 29 E CB -0.226 29.429 29.700 -0.074 0.000 0.746 29 E HN 0.250 nan 8.360 nan 0.000 0.452 30 A N 1.567 124.350 122.820 -0.063 0.000 1.898 30 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 30 A C 2.442 179.987 177.584 -0.065 0.000 1.181 30 A CA 1.949 53.944 52.037 -0.071 0.000 0.620 30 A CB -0.557 18.404 19.000 -0.065 0.000 0.819 30 A HN 0.267 nan 8.150 nan 0.000 0.442 31 A N -0.400 122.393 122.820 -0.045 0.000 1.902 31 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 31 A C 2.214 179.769 177.584 -0.049 0.000 1.181 31 A CA 1.757 53.773 52.037 -0.035 0.000 0.623 31 A CB -0.500 18.490 19.000 -0.016 0.000 0.818 31 A HN 0.516 nan 8.150 nan 0.000 0.443 32 R N -0.752 119.712 120.500 -0.061 0.000 2.117 32 R HA -0.055 4.285 4.340 -0.000 0.000 0.243 32 R C 1.017 177.252 176.300 -0.108 0.000 1.143 32 R CA 1.489 57.543 56.100 -0.078 0.000 0.968 32 R CB -0.271 29.977 30.300 -0.088 0.000 0.863 32 R HN 0.527 nan 8.270 nan 0.000 0.444 33 L N 0.437 121.582 121.223 -0.131 0.000 2.769 33 L HA 0.185 4.525 4.340 -0.000 0.000 0.240 33 L C -0.149 176.673 176.870 -0.081 0.000 1.163 33 L CA -0.097 54.642 54.840 -0.168 0.000 0.962 33 L CB 0.309 42.201 42.059 -0.277 0.000 1.258 33 L HN 0.205 nan 8.230 nan 0.000 0.513 34 Q N 0.019 119.782 119.800 -0.061 0.000 2.451 34 Q HA -0.220 4.120 4.340 -0.000 0.000 0.305 34 Q C -0.208 175.764 176.000 -0.047 0.000 1.345 34 Q CA 0.658 56.437 55.803 -0.040 0.000 0.854 34 Q CB -1.232 27.492 28.738 -0.024 0.000 1.162 34 Q HN 0.224 nan 8.270 nan 0.000 0.440 35 K N 2.186 122.548 120.400 -0.064 0.000 2.185 35 K HA 0.139 4.459 4.320 -0.000 0.000 0.269 35 K C -0.057 176.490 176.600 -0.089 0.000 0.987 35 K CA -0.598 55.639 56.287 -0.085 0.000 0.865 35 K CB 0.828 33.267 32.500 -0.101 0.000 1.090 35 K HN 0.130 nan 8.250 nan 0.000 0.450 36 E N 2.705 122.844 120.200 -0.102 0.000 2.417 36 E HA 0.035 4.385 4.350 -0.000 0.000 0.261 36 E C -0.664 175.864 176.600 -0.119 0.000 1.000 36 E CA -0.147 56.198 56.400 -0.092 0.000 0.919 36 E CB 0.396 30.046 29.700 -0.084 0.000 0.955 36 E HN 0.074 nan 8.360 nan 0.000 0.455 37 V N 4.512 124.351 119.914 -0.125 0.000 2.448 37 V HA 0.398 4.518 4.120 -0.000 0.000 0.295 37 V C 0.362 176.265 176.094 -0.318 0.000 1.025 37 V CA -0.760 61.400 62.300 -0.233 0.000 0.859 37 V CB 1.339 32.983 31.823 -0.298 0.000 0.988 37 V HN 0.573 nan 8.190 nan 0.000 0.431 38 R N 3.095 123.422 120.500 -0.287 0.000 2.828 38 R HA 0.809 5.149 4.340 -0.000 0.000 0.264 38 R C -1.461 174.534 176.300 -0.508 0.000 1.022 38 R CA -0.483 55.465 56.100 -0.253 0.000 1.021 38 R CB 1.944 32.270 30.300 0.042 0.000 1.163 38 R HN 0.555 nan 8.270 nan 0.000 0.494 39 F N -0.218 119.774 119.950 0.069 0.000 2.588 39 F HA 0.265 4.792 4.527 -0.000 0.000 0.314 39 F C 0.122 175.940 175.800 0.029 0.000 1.069 39 F CA -1.026 57.004 58.000 0.050 0.000 0.931 39 F CB 1.513 40.536 39.000 0.039 0.000 1.260 39 F HN 0.562 nan 8.300 nan 0.000 0.465 40 D N 0.029 120.560 120.400 0.219 0.000 2.506 40 D HA 0.301 4.941 4.640 -0.000 0.000 0.272 40 D C 1.273 177.640 176.300 0.112 0.000 1.214 40 D CA -0.568 53.504 54.000 0.120 0.000 1.067 40 D CB 0.442 41.283 40.800 0.069 0.000 1.117 40 D HN 0.600 nan 8.370 nan 0.000 0.578 41 G N -1.077 107.760 108.800 0.061 0.000 2.509 41 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 41 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 41 G C 1.110 176.026 174.900 0.026 0.000 1.124 41 G CA 0.276 45.398 45.100 0.037 0.000 0.776 41 G HN 0.309 nan 8.290 nan 0.000 0.547 42 L N -0.262 120.984 121.223 0.039 0.000 2.585 42 L HA 0.372 4.711 4.340 -0.000 0.000 0.226 42 L C 2.009 178.901 176.870 0.036 0.000 1.113 42 L CA 0.948 55.807 54.840 0.031 0.000 0.876 42 L CB 0.348 42.429 42.059 0.036 0.000 1.072 42 L HN 0.321 nan 8.230 nan 0.000 0.468 43 G N -1.600 107.236 108.800 0.061 0.000 2.157 43 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.239 43 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.239 43 G C 0.481 175.503 174.900 0.203 0.000 0.982 43 G CA 0.236 45.379 45.100 0.071 0.000 0.650 43 G HN 0.252 nan 8.290 nan 0.000 0.527 44 S N -0.395 115.416 115.700 0.185 0.000 2.558 44 S HA 0.375 4.845 4.470 -0.000 0.000 0.288 44 S C 0.689 175.441 174.600 0.253 0.000 1.318 44 S CA 0.081 58.391 58.200 0.184 0.000 1.056 44 S CB 1.926 65.201 63.200 0.124 0.000 0.853 44 S HN 0.745 nan 8.310 nan 0.000 0.505 45 V N 4.433 124.460 119.914 0.188 0.000 2.407 45 V HA 0.302 4.422 4.120 -0.000 0.000 0.278 45 V C -0.582 175.538 176.094 0.044 0.000 1.037 45 V CA -0.622 61.735 62.300 0.096 0.000 0.900 45 V CB 0.906 32.794 31.823 0.108 0.000 0.983 45 V HN 0.532 nan 8.190 nan 0.000 0.459 46 L N 7.014 128.226 121.223 -0.018 0.000 2.318 46 L HA 0.563 4.903 4.340 -0.000 0.000 0.277 46 L C -0.306 176.653 176.870 0.147 0.000 1.008 46 L CA -0.211 54.715 54.840 0.143 0.000 0.846 46 L CB 1.121 43.285 42.059 0.175 0.000 1.220 46 L HN 0.469 nan 8.230 nan 0.000 0.423 47 I N 3.217 123.850 120.570 0.106 0.000 2.330 47 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 47 I C 0.552 176.504 176.117 -0.276 0.000 1.001 47 I CA -0.562 60.693 61.300 -0.075 0.000 1.193 47 I CB 1.166 39.118 38.000 -0.079 0.000 1.345 47 I HN 0.478 nan 8.210 nan 0.000 0.461 48 R N 6.146 126.254 120.500 -0.654 0.000 2.296 48 R HA 0.219 4.559 4.340 -0.000 0.000 0.323 48 R C 0.811 176.769 176.300 -0.570 0.000 1.067 48 R CA -0.166 55.236 56.100 -1.163 0.000 0.946 48 R CB 0.710 30.155 30.300 -1.426 0.000 0.991 48 R HN 0.788 nan 8.270 nan 0.000 0.448 49 L N 3.961 124.909 121.223 -0.458 0.000 2.072 49 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 49 L C 0.297 177.046 176.870 -0.202 0.000 1.079 49 L CA 1.603 56.299 54.840 -0.240 0.000 0.752 49 L CB -0.033 41.930 42.059 -0.160 0.000 0.906 49 L HN 0.818 nan 8.230 nan 0.000 0.436 50 N N -2.331 116.222 118.700 -0.244 0.000 3.039 50 N HA 0.219 4.959 4.740 -0.000 0.000 0.257 50 N C -1.448 173.969 175.510 -0.156 0.000 1.497 50 N CA -0.925 52.029 53.050 -0.160 0.000 0.861 50 N CB 1.293 39.716 38.487 -0.106 0.000 1.479 50 N HN -0.149 nan 8.380 nan 0.000 0.547 51 E N 0.146 120.291 120.200 -0.092 0.000 2.158 51 E HA 0.508 4.858 4.350 -0.000 0.000 0.271 51 E C -1.572 175.011 176.600 -0.029 0.000 0.911 51 E CA -0.719 55.648 56.400 -0.054 0.000 0.767 51 E CB 1.899 31.575 29.700 -0.039 0.000 1.120 51 E HN 0.451 nan 8.360 nan 0.000 0.405 52 S N 0.825 116.521 115.700 -0.006 0.000 2.537 52 S HA 0.216 4.686 4.470 -0.000 0.000 0.270 52 S C 0.359 174.972 174.600 0.021 0.000 1.142 52 S CA -0.525 57.678 58.200 0.004 0.000 0.870 52 S CB 1.357 64.559 63.200 0.003 0.000 1.112 52 S HN 0.551 nan 8.310 nan 0.000 0.466 53 T N 0.929 115.492 114.554 0.015 0.000 3.129 53 T HA 0.324 4.674 4.350 -0.000 0.000 0.251 53 T C 1.112 175.822 174.700 0.017 0.000 1.117 53 T CA 0.346 62.457 62.100 0.018 0.000 1.034 53 T CB -0.421 68.453 68.868 0.010 0.000 0.968 53 T HN 0.792 nan 8.240 nan 0.000 0.526 54 G N 2.805 111.614 108.800 0.016 0.000 2.683 54 G HA2 0.467 4.427 3.960 -0.000 0.000 0.260 54 G HA3 0.467 4.427 3.960 -0.000 0.000 0.260 54 G C -2.449 172.464 174.900 0.023 0.000 1.238 54 G CA -1.310 43.797 45.100 0.012 0.000 0.934 54 G HN 0.228 nan 8.290 nan 0.000 0.534 55 P HA 0.168 nan 4.420 nan 0.000 0.269 55 P C -0.589 176.742 177.300 0.052 0.000 1.215 55 P CA -0.078 63.032 63.100 0.017 0.000 0.780 55 P CB 0.771 32.463 31.700 -0.012 0.000 0.898 56 K N 1.233 121.674 120.400 0.068 0.000 2.297 56 K HA 0.374 4.694 4.320 -0.000 0.000 0.286 56 K C -0.077 176.588 176.600 0.109 0.000 1.053 56 K CA -0.523 55.840 56.287 0.128 0.000 0.940 56 K CB 0.621 33.188 32.500 0.112 0.000 1.019 56 K HN 0.215 nan 8.250 nan 0.000 0.475 60 C N 5.929 125.284 119.300 0.092 0.000 2.369 60 C HA 0.960 5.420 4.460 -0.000 0.000 0.322 60 C C 0.268 175.318 174.990 0.101 0.000 1.258 60 C CA 0.218 59.295 59.018 0.099 0.000 1.487 60 C CB 0.612 28.413 27.740 0.101 0.000 2.165 60 C HN 0.980 nan 8.230 nan 0.000 0.483 61 A N 3.931 126.809 122.820 0.097 0.000 2.430 61 A HA 0.902 5.222 4.320 -0.000 0.000 0.300 61 A C -0.850 176.808 177.584 0.123 0.000 1.124 61 A CA -0.491 51.593 52.037 0.079 0.000 0.766 61 A CB 1.032 20.050 19.000 0.031 0.000 1.328 61 A HN 1.152 nan 8.150 nan 0.000 0.424 65 E N -0.588 119.683 120.200 0.117 0.000 2.281 65 E HA 0.598 4.948 4.350 -0.000 0.000 0.262 65 E C 0.044 176.642 176.600 -0.004 0.000 0.933 65 E CA -1.188 55.270 56.400 0.097 0.000 0.809 65 E CB 2.271 32.033 29.700 0.102 0.000 1.242 65 E HN 0.442 nan 8.360 nan 0.000 0.418 66 V N -0.936 118.932 119.914 -0.077 0.000 2.715 66 V HA 0.728 4.848 4.120 -0.000 0.000 0.299 66 V C 0.358 176.325 176.094 -0.212 0.000 1.054 66 V CA 0.778 62.955 62.300 -0.206 0.000 1.077 66 V CB 0.349 31.957 31.823 -0.358 0.000 0.972 66 V HN 0.949 nan 8.190 nan 0.000 0.484 67 G N 2.844 111.385 108.800 -0.431 0.000 2.604 67 G HA2 0.665 4.625 3.960 -0.000 0.000 0.242 67 G HA3 0.665 4.625 3.960 -0.000 0.000 0.242 67 G C -1.533 172.737 174.900 -1.050 0.000 1.208 67 G CA -0.608 44.090 45.100 -0.670 0.000 0.912 67 G HN 0.743 nan 8.290 nan 0.000 0.502 71 R N 1.766 122.275 120.500 0.015 0.000 2.164 71 R HA 0.491 4.831 4.340 -0.000 0.000 0.198 71 R C 0.578 176.893 176.300 0.024 0.000 1.028 71 R CA 1.045 57.157 56.100 0.020 0.000 1.083 71 R CB 0.828 31.141 30.300 0.022 0.000 1.026 71 R HN 0.690 nan 8.270 nan 0.000 0.514 72 S N -0.731 114.984 115.700 0.025 0.000 2.547 72 S HA 0.521 4.991 4.470 -0.000 0.000 0.270 72 S C -1.838 172.792 174.600 0.049 0.000 1.150 72 S CA -0.723 57.505 58.200 0.046 0.000 0.850 72 S CB 1.375 64.600 63.200 0.043 0.000 1.118 72 S HN 0.115 nan 8.310 nan 0.000 0.461 73 I N 3.030 123.662 120.570 0.104 0.000 2.466 73 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 73 I C 0.361 176.613 176.117 0.226 0.000 1.026 73 I CA -0.188 61.178 61.300 0.109 0.000 1.078 73 I CB 2.092 40.085 38.000 -0.013 0.000 1.249 73 I HN 0.637 nan 8.210 nan 0.000 0.429 74 S N 5.571 121.356 115.700 0.143 0.000 2.669 74 S HA 0.384 4.854 4.470 -0.000 0.000 0.270 74 S C 1.285 175.984 174.600 0.165 0.000 1.225 74 S CA -0.597 57.674 58.200 0.119 0.000 0.991 74 S CB 0.910 64.144 63.200 0.056 0.000 0.987 74 S HN 0.752 nan 8.310 nan 0.000 0.552 75 R N 0.171 120.723 120.500 0.087 0.000 2.193 75 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 75 R C 0.817 177.164 176.300 0.079 0.000 1.110 75 R CA 1.596 57.741 56.100 0.075 0.000 0.988 75 R CB -0.580 29.723 30.300 0.006 0.000 0.871 75 R HN 0.641 nan 8.270 nan 0.000 0.458 76 E N 0.175 120.409 120.200 0.058 0.000 2.489 76 E HA 0.120 4.470 4.350 -0.000 0.000 0.193 76 E C 0.867 177.489 176.600 0.037 0.000 1.057 76 E CA 0.770 57.193 56.400 0.039 0.000 0.866 76 E CB 0.658 30.371 29.700 0.021 0.000 0.916 76 E HN 0.616 nan 8.360 nan 0.000 0.500 77 G N 0.118 108.951 108.800 0.055 0.000 2.136 77 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.242 77 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.242 77 G C 0.361 175.262 174.900 0.002 0.000 0.989 77 G CA 0.002 45.116 45.100 0.023 0.000 0.682 77 G HN 0.505 nan 8.290 nan 0.000 0.522 78 A N -0.242 122.585 122.820 0.011 0.000 2.388 78 A HA 0.706 5.026 4.320 -0.000 0.000 0.257 78 A C 0.416 177.996 177.584 -0.007 0.000 1.095 78 A CA 0.064 52.098 52.037 -0.005 0.000 0.791 78 A CB 0.361 19.359 19.000 -0.002 0.000 1.029 78 A HN 0.831 nan 8.150 nan 0.000 0.489 79 I N 2.930 123.483 120.570 -0.028 0.000 2.388 79 I HA 0.151 4.321 4.170 -0.000 0.000 0.281 79 I C -0.702 175.393 176.117 -0.037 0.000 1.046 79 I CA -0.566 60.714 61.300 -0.033 0.000 1.187 79 I CB 1.023 38.992 38.000 -0.051 0.000 1.351 79 I HN 0.554 nan 8.210 nan 0.000 0.472 80 D N 6.249 126.639 120.400 -0.017 0.000 2.424 80 D HA 0.244 4.884 4.640 -0.000 0.000 0.244 80 D C -0.001 176.289 176.300 -0.017 0.000 1.134 80 D CA 0.327 54.316 54.000 -0.017 0.000 0.881 80 D CB 1.862 42.663 40.800 0.002 0.000 1.191 80 D HN 0.271 nan 8.370 nan 0.000 0.445 81 V N -0.449 119.451 119.914 -0.024 0.000 2.962 81 V HA 0.676 4.796 4.120 -0.000 0.000 0.313 81 V C -0.617 175.509 176.094 0.054 0.000 1.099 81 V CA -1.025 61.279 62.300 0.007 0.000 0.971 81 V CB 1.991 33.791 31.823 -0.039 0.000 1.028 81 V HN 0.344 nan 8.190 nan 0.000 0.430 82 L N 2.456 123.739 121.223 0.100 0.000 2.342 82 L HA 0.683 5.022 4.340 -0.000 0.000 0.271 82 L C -2.475 174.505 176.870 0.183 0.000 1.008 82 L CA -1.961 52.950 54.840 0.119 0.000 0.818 82 L CB 2.697 44.794 42.059 0.062 0.000 1.296 82 L HN 0.481 nan 8.230 nan 0.000 0.427 83 P HA 0.140 nan 4.420 nan 0.000 0.271 83 P C -1.029 176.217 177.300 -0.090 0.000 1.218 83 P CA -0.262 62.838 63.100 -0.000 0.000 0.780 83 P CB 0.921 32.621 31.700 -0.001 0.000 0.901 84 V N 2.521 122.307 119.914 -0.213 0.000 2.349 84 V HA 0.674 4.794 4.120 -0.000 0.000 0.284 84 V C 0.569 176.549 176.094 -0.190 0.000 1.014 84 V CA 0.355 62.564 62.300 -0.151 0.000 0.826 84 V CB 0.347 32.094 31.823 -0.127 0.000 1.009 84 V HN 1.063 nan 8.190 nan 0.000 0.431 85 G N 5.022 113.739 108.800 -0.139 0.000 2.757 85 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.638 85 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.638 85 G C -0.417 174.395 174.900 -0.147 0.000 1.344 85 G CA -0.504 44.503 45.100 -0.155 0.000 0.855 85 G HN 0.755 nan 8.290 nan 0.000 0.537 86 N N 0.035 118.660 118.700 -0.126 0.000 2.807 86 N HA 0.402 5.142 4.740 -0.000 0.000 0.259 86 N C 0.359 175.865 175.510 -0.007 0.000 1.149 86 N CA -0.224 52.814 53.050 -0.020 0.000 1.042 86 N CB 0.949 39.492 38.487 0.094 0.000 1.367 86 N HN 0.591 nan 8.380 nan 0.000 0.516 87 V N 2.294 122.180 119.914 -0.047 0.000 2.521 87 V HA 0.089 4.209 4.120 -0.000 0.000 0.286 87 V C 1.308 177.478 176.094 0.127 0.000 1.034 87 V CA -0.291 62.035 62.300 0.043 0.000 1.045 87 V CB 0.397 32.214 31.823 -0.011 0.000 0.974 87 V HN 0.594 nan 8.190 nan 0.000 0.480 91 A N 0.081 122.971 122.820 0.117 0.000 2.610 91 A HA 0.519 4.839 4.320 -0.000 0.000 0.286 91 A C 0.981 178.762 177.584 0.329 0.000 1.306 91 A CA 0.053 52.201 52.037 0.184 0.000 0.942 91 A CB -0.303 18.794 19.000 0.162 0.000 1.112 91 A HN 0.300 nan 8.150 nan 0.000 0.527 92 R N -0.410 120.216 120.500 0.211 0.000 2.565 92 R HA 0.223 4.563 4.340 -0.000 0.000 0.347 92 R C -0.532 175.805 176.300 0.063 0.000 1.010 92 R CA 0.107 56.311 56.100 0.173 0.000 1.126 92 R CB 0.652 31.056 30.300 0.173 0.000 1.331 92 R HN 0.456 nan 8.270 nan 0.000 0.552 93 Q N 0.907 120.747 119.800 0.066 0.000 2.292 93 Q HA 0.335 4.675 4.340 -0.000 0.000 0.270 93 Q C -0.588 175.428 176.000 0.026 0.000 1.024 93 Q CA -0.603 55.216 55.803 0.027 0.000 0.768 93 Q CB 2.404 31.157 28.738 0.025 0.000 1.250 93 Q HN 0.138 nan 8.270 nan 0.000 0.447 94 L N 2.315 123.540 121.223 0.004 0.000 3.795 94 L HA -0.266 4.074 4.340 -0.000 0.000 0.489 94 L C -0.715 176.170 176.870 0.026 0.000 1.259 94 L CA 0.560 55.402 54.840 0.004 0.000 0.765 94 L CB -1.248 40.813 42.059 0.004 0.000 1.519 94 L HN 0.622 nan 8.230 nan 0.000 0.842 95 Q N 0.318 120.141 119.800 0.037 0.000 2.333 95 Q HA 0.456 4.796 4.340 -0.000 0.000 0.265 95 Q C -2.194 173.851 176.000 0.075 0.000 0.989 95 Q CA -1.972 53.895 55.803 0.106 0.000 0.842 95 Q CB 1.752 30.640 28.738 0.250 0.000 1.262 95 Q HN 0.011 nan 8.270 nan 0.000 0.451 96 P HA -0.017 nan 4.420 nan 0.000 0.264 96 P C -0.535 176.821 177.300 0.093 0.000 1.193 96 P CA 0.174 63.313 63.100 0.066 0.000 0.763 96 P CB 0.622 32.361 31.700 0.066 0.000 0.810 97 V N 1.425 121.351 119.914 0.020 0.000 3.167 97 V HA 0.846 4.966 4.120 -0.000 0.000 0.310 97 V C -0.913 175.178 176.094 -0.004 0.000 1.207 97 V CA -1.248 61.047 62.300 -0.008 0.000 1.059 97 V CB 2.616 34.361 31.823 -0.130 0.000 1.079 97 V HN 0.571 nan 8.190 nan 0.000 0.446 98 R N 0.718 121.216 120.500 -0.002 0.000 2.698 98 R HA 0.791 5.131 4.340 -0.000 0.000 0.275 98 R C -1.699 174.598 176.300 -0.005 0.000 1.001 98 R CA -0.881 55.218 56.100 -0.001 0.000 0.896 98 R CB 2.210 32.521 30.300 0.019 0.000 1.218 98 R HN 0.727 nan 8.270 nan 0.000 0.462 99 I N 1.839 122.402 120.570 -0.012 0.000 2.359 99 I HA 0.280 4.449 4.170 -0.000 0.000 0.294 99 I C -0.319 175.795 176.117 -0.005 0.000 0.987 99 I CA -0.844 60.449 61.300 -0.011 0.000 1.225 99 I CB 2.321 40.306 38.000 -0.025 0.000 1.366 99 I HN 0.614 nan 8.210 nan 0.000 0.466 100 T N 3.784 118.338 114.554 0.000 0.000 2.758 100 T HA 0.321 4.671 4.350 -0.000 0.000 0.285 100 T C 0.336 175.033 174.700 -0.004 0.000 0.981 100 T CA -0.663 61.438 62.100 0.001 0.000 0.965 100 T CB 1.133 70.007 68.868 0.008 0.000 0.927 100 T HN 0.743 nan 8.240 nan 0.000 0.448 101 T N 1.121 115.670 114.554 -0.008 0.000 2.788 101 T HA 0.318 4.668 4.350 -0.000 0.000 0.280 101 T C 1.420 176.115 174.700 -0.008 0.000 0.984 101 T CA -0.825 61.268 62.100 -0.012 0.000 0.972 101 T CB 0.856 69.714 68.868 -0.017 0.000 1.039 101 T HN 0.502 nan 8.240 nan 0.000 0.530 102 R N 0.191 120.684 120.500 -0.010 0.000 2.193 102 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 102 R C 1.757 178.053 176.300 -0.007 0.000 1.110 102 R CA 1.377 57.472 56.100 -0.008 0.000 0.988 102 R CB -0.265 30.030 30.300 -0.009 0.000 0.871 102 R HN 0.719 nan 8.270 nan 0.000 0.458 103 E N 0.591 120.786 120.200 -0.008 0.000 2.489 103 E HA -0.021 4.328 4.350 -0.000 0.000 0.193 103 E C -0.229 176.369 176.600 -0.004 0.000 1.057 103 E CA 0.054 56.450 56.400 -0.006 0.000 0.866 103 E CB 0.235 29.931 29.700 -0.008 0.000 0.916 103 E HN 0.082 nan 8.360 nan 0.000 0.500 104 E N -1.357 118.842 120.200 -0.003 0.000 2.868 104 E HA -0.215 4.135 4.350 -0.000 0.000 0.278 104 E C -0.588 176.013 176.600 0.002 0.000 1.009 104 E CA 0.545 56.946 56.400 0.001 0.000 0.856 104 E CB -2.708 26.994 29.700 0.003 0.000 1.428 104 E HN 0.311 nan 8.360 nan 0.000 0.423 105 C N 0.843 120.142 119.300 -0.002 0.000 2.466 105 C HA 0.426 4.886 4.460 -0.000 0.000 0.379 105 C C 1.038 176.027 174.990 -0.001 0.000 1.251 105 C CA -0.418 58.599 59.018 -0.002 0.000 2.263 105 C CB 0.567 28.304 27.740 -0.006 0.000 2.511 105 C HN 0.099 nan 8.230 nan 0.000 0.573 106 K N 2.215 122.616 120.400 0.002 0.000 2.394 106 K HA 0.596 4.916 4.320 -0.000 0.000 0.260 106 K C -1.327 175.273 176.600 -0.000 0.000 0.967 106 K CA -0.186 56.103 56.287 0.004 0.000 0.855 106 K CB 1.241 33.749 32.500 0.012 0.000 1.101 106 K HN 0.468 nan 8.250 nan 0.000 0.433 107 I N 5.533 126.099 120.570 -0.006 0.000 2.330 107 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 107 I C -2.085 174.026 176.117 -0.011 0.000 1.001 107 I CA -2.262 59.032 61.300 -0.011 0.000 1.193 107 I CB 1.264 39.252 38.000 -0.020 0.000 1.345 107 I HN 0.401 nan 8.210 nan 0.000 0.461 108 P HA 0.456 nan 4.420 nan 0.000 0.274 108 P C -0.217 177.073 177.300 -0.017 0.000 1.237 108 P CA -0.180 62.917 63.100 -0.005 0.000 0.793 108 P CB 1.405 33.106 31.700 0.002 0.000 0.977 109 G N 0.201 108.987 108.800 -0.022 0.000 2.600 109 G HA2 0.496 4.456 3.960 -0.000 0.000 0.293 109 G HA3 0.496 4.456 3.960 -0.000 0.000 0.293 109 G C -2.321 172.555 174.900 -0.040 0.000 1.408 109 G CA -0.561 44.517 45.100 -0.036 0.000 0.782 109 G HN 0.532 nan 8.290 nan 0.000 0.482 110 L N 0.425 121.619 121.223 -0.049 0.000 2.325 110 L HA 0.746 5.086 4.340 -0.000 0.000 0.281 110 L C -0.520 176.297 176.870 -0.088 0.000 1.004 110 L CA -0.809 54.000 54.840 -0.050 0.000 0.823 110 L CB 1.483 43.523 42.059 -0.031 0.000 1.236 110 L HN 0.583 nan 8.230 nan 0.000 0.415 111 L N 4.502 125.652 121.223 -0.122 0.000 2.326 111 L HA 0.556 4.896 4.340 -0.000 0.000 0.278 111 L C -1.019 175.774 176.870 -0.128 0.000 1.092 111 L CA 0.186 54.909 54.840 -0.196 0.000 0.810 111 L CB 1.072 42.908 42.059 -0.371 0.000 1.153 111 L HN 0.721 nan 8.230 nan 0.000 0.439 112 D N 2.576 122.902 120.400 -0.122 0.000 2.756 112 D HA 0.691 5.331 4.640 -0.000 0.000 0.226 112 D C -0.670 175.586 176.300 -0.073 0.000 1.186 112 D CA -0.086 53.869 54.000 -0.074 0.000 0.845 112 D CB 2.190 42.962 40.800 -0.046 0.000 1.610 112 D HN 0.679 nan 8.370 nan 0.000 0.465 113 G N 0.596 109.372 108.800 -0.041 0.000 2.788 113 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 113 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 113 G C -1.196 173.699 174.900 -0.008 0.000 1.305 113 G CA -0.508 44.577 45.100 -0.024 0.000 1.005 113 G HN 0.388 nan 8.290 nan 0.000 0.496 114 D N 0.101 120.500 120.400 -0.001 0.000 2.441 114 D HA 0.250 4.889 4.640 -0.000 0.000 0.231 114 D C -0.109 176.197 176.300 0.010 0.000 1.073 114 D CA -0.403 53.598 54.000 0.003 0.000 0.850 114 D CB 1.108 41.909 40.800 0.002 0.000 1.062 114 D HN 0.294 nan 8.370 nan 0.000 0.524 115 R N 3.153 123.659 120.500 0.010 0.000 2.298 115 R HA 0.180 4.520 4.340 -0.000 0.000 0.310 115 R C -0.441 175.865 176.300 0.011 0.000 1.068 115 R CA -0.153 55.955 56.100 0.013 0.000 0.957 115 R CB 0.557 30.865 30.300 0.014 0.000 1.003 115 R HN 0.395 nan 8.270 nan 0.000 0.454 116 Q N 3.547 123.355 119.800 0.012 0.000 2.394 116 Q HA 0.232 4.572 4.340 -0.000 0.000 0.261 116 Q C 0.251 176.257 176.000 0.010 0.000 1.023 116 Q CA 0.043 55.852 55.803 0.010 0.000 0.720 116 Q CB 2.081 30.824 28.738 0.009 0.000 1.241 116 Q HN 1.075 nan 8.270 nan 0.000 0.483 117 G N 3.708 112.514 108.800 0.009 0.000 2.574 117 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.301 117 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.301 117 G C 0.652 175.558 174.900 0.010 0.000 1.166 117 G CA 0.829 45.934 45.100 0.008 0.000 0.971 117 G HN 0.613 nan 8.290 nan 0.000 0.542 118 N N 1.559 120.265 118.700 0.010 0.000 2.333 118 N HA 0.170 4.910 4.740 -0.000 0.000 0.178 118 N C 0.258 175.778 175.510 0.018 0.000 1.018 118 N CA 1.161 54.218 53.050 0.012 0.000 0.882 118 N CB 0.132 38.624 38.487 0.008 0.000 0.984 118 N HN 0.488 nan 8.380 nan 0.000 0.434 119 D N -0.236 120.176 120.400 0.019 0.000 2.225 119 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 119 D C -0.619 175.699 176.300 0.029 0.000 1.052 119 D CA -0.188 53.827 54.000 0.026 0.000 0.909 119 D CB 2.111 42.925 40.800 0.024 0.000 1.186 119 D HN -0.282 nan 8.370 nan 0.000 0.431 120 V N 1.678 121.616 119.914 0.039 0.000 2.444 120 V HA 0.464 4.584 4.120 -0.000 0.000 0.294 120 V C 0.037 176.159 176.094 0.046 0.000 1.022 120 V CA -0.285 62.039 62.300 0.041 0.000 0.850 120 V CB 1.545 33.398 31.823 0.051 0.000 0.992 120 V HN 0.542 nan 8.190 nan 0.000 0.426 121 S N 2.202 117.922 115.700 0.033 0.000 2.998 121 S HA 0.957 5.427 4.470 -0.000 0.000 0.323 121 S C 0.139 174.749 174.600 0.017 0.000 1.141 121 S CA -0.018 58.202 58.200 0.033 0.000 0.873 121 S CB 1.623 64.841 63.200 0.030 0.000 1.315 121 S HN 1.893 nan 8.310 nan 0.000 0.637 125 V N 1.382 121.224 119.914 -0.120 0.000 2.513 125 V HA 0.335 4.455 4.120 -0.000 0.000 0.299 125 V C -0.680 175.367 176.094 -0.079 0.000 1.035 125 V CA -0.473 61.753 62.300 -0.123 0.000 0.889 125 V CB 1.849 33.590 31.823 -0.136 0.000 0.988 125 V HN 0.607 nan 8.190 nan 0.000 0.440 126 D N 3.511 123.870 120.400 -0.068 0.000 2.381 126 D HA 0.390 5.030 4.640 -0.000 0.000 0.235 126 D C 0.408 176.682 176.300 -0.043 0.000 1.068 126 D CA -0.458 53.513 54.000 -0.048 0.000 0.832 126 D CB 1.520 42.296 40.800 -0.039 0.000 1.101 126 D HN 0.545 nan 8.370 nan 0.000 0.515 127 I N 0.685 121.232 120.570 -0.038 0.000 3.914 127 I HA 0.474 4.644 4.170 -0.000 0.000 0.333 127 I C 1.106 177.208 176.117 -0.025 0.000 1.449 127 I CA -0.328 60.952 61.300 -0.032 0.000 1.135 127 I CB 0.271 38.249 38.000 -0.036 0.000 1.073 127 I HN 0.484 nan 8.210 nan 0.000 0.401 128 G N 1.367 110.153 108.800 -0.022 0.000 2.159 128 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.256 128 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.256 128 G C 0.425 175.316 174.900 -0.015 0.000 0.977 128 G CA 0.005 45.095 45.100 -0.017 0.000 0.652 128 G HN 0.947 nan 8.290 nan 0.000 0.531 129 A N -0.489 122.320 122.820 -0.018 0.000 2.351 129 A HA 0.776 5.096 4.320 -0.000 0.000 0.257 129 A C 1.190 178.771 177.584 -0.006 0.000 1.087 129 A CA 0.579 52.606 52.037 -0.016 0.000 0.798 129 A CB 0.374 19.359 19.000 -0.026 0.000 1.033 129 A HN 0.455 nan 8.150 nan 0.000 0.488 130 R N -0.511 119.989 120.500 0.001 0.000 2.446 130 R HA 0.154 4.494 4.340 -0.000 0.000 0.254 130 R C -0.172 176.141 176.300 0.021 0.000 0.918 130 R CA 0.922 57.027 56.100 0.008 0.000 1.069 130 R CB 0.581 30.885 30.300 0.007 0.000 1.194 130 R HN 0.868 nan 8.270 nan 0.000 0.534 131 T N -4.325 110.245 114.554 0.027 0.000 2.883 131 T HA 0.129 4.478 4.350 -0.000 0.000 0.301 131 T C 0.287 175.035 174.700 0.081 0.000 1.158 131 T CA -0.843 61.293 62.100 0.061 0.000 1.007 131 T CB 1.368 70.272 68.868 0.061 0.000 1.186 131 T HN 0.058 nan 8.240 nan 0.000 0.499 132 Y N 1.478 121.773 120.300 -0.008 0.000 2.114 132 Y HA -0.212 4.338 4.550 -0.000 0.000 0.282 132 Y C 1.915 177.811 175.900 -0.007 0.000 1.165 132 Y CA 2.438 60.533 58.100 -0.008 0.000 1.148 132 Y CB -0.354 38.102 38.460 -0.007 0.000 0.972 132 Y HN 0.740 nan 8.280 nan 0.000 0.504 133 D N 0.008 120.488 120.400 0.133 0.000 2.144 133 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 133 D C 2.005 178.281 176.300 -0.040 0.000 0.984 133 D CA 1.536 55.562 54.000 0.042 0.000 0.834 133 D CB -0.268 40.588 40.800 0.092 0.000 0.955 133 D HN 0.588 nan 8.370 nan 0.000 0.465 134 E N 0.395 120.580 120.200 -0.025 0.000 2.085 134 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 134 E C 1.015 177.570 176.600 -0.074 0.000 0.994 134 E CA 0.427 56.805 56.400 -0.037 0.000 0.801 134 E CB 0.198 29.886 29.700 -0.020 0.000 0.743 134 E HN 0.067 nan 8.360 nan 0.000 0.453 138 A N 0.580 123.368 122.820 -0.055 0.000 2.235 138 A HA 0.423 4.743 4.320 -0.000 0.000 0.208 138 A C 1.520 179.078 177.584 -0.044 0.000 1.172 138 A CA 1.477 53.487 52.037 -0.045 0.000 0.786 138 A CB -0.398 18.574 19.000 -0.047 0.000 0.804 138 A HN 0.637 nan 8.150 nan 0.000 0.479 139 G N -1.139 107.630 108.800 -0.052 0.000 2.176 139 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.253 139 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.253 139 G C 0.141 175.010 174.900 -0.051 0.000 0.979 139 G CA 0.158 45.231 45.100 -0.045 0.000 0.641 139 G HN 0.453 nan 8.290 nan 0.000 0.530 140 I N 1.425 121.954 120.570 -0.068 0.000 2.529 140 I HA 0.456 4.626 4.170 -0.000 0.000 0.284 140 I C 0.702 176.770 176.117 -0.081 0.000 1.082 140 I CA -0.167 61.092 61.300 -0.069 0.000 1.406 140 I CB 0.628 38.583 38.000 -0.075 0.000 1.405 140 I HN -0.001 nan 8.210 nan 0.000 0.548 141 R N 5.589 126.057 120.500 -0.054 0.000 2.740 141 R HA 0.463 4.803 4.340 -0.000 0.000 0.273 141 R C -2.728 173.558 176.300 -0.023 0.000 0.998 141 R CA -2.434 53.641 56.100 -0.042 0.000 0.900 141 R CB 1.174 31.459 30.300 -0.026 0.000 1.223 141 R HN 0.170 nan 8.270 nan 0.000 0.466 142 P HA -0.008 nan 4.420 nan 0.000 0.263 142 P C 0.759 178.061 177.300 0.003 0.000 1.175 142 P CA 1.386 64.489 63.100 0.005 0.000 0.761 142 P CB 0.388 32.099 31.700 0.019 0.000 0.794 143 G N 1.693 110.496 108.800 0.005 0.000 2.234 143 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.235 143 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.235 143 G C -0.096 174.805 174.900 0.002 0.000 0.997 143 G CA -0.274 44.829 45.100 0.004 0.000 0.623 143 G HN 0.516 nan 8.290 nan 0.000 0.514 144 D N 1.594 121.993 120.400 -0.001 0.000 2.455 144 D HA 0.384 5.024 4.640 -0.000 0.000 0.241 144 D C 1.353 177.657 176.300 0.006 0.000 1.138 144 D CA 0.025 54.024 54.000 -0.002 0.000 0.877 144 D CB 0.482 41.276 40.800 -0.010 0.000 1.187 144 D HN 0.792 nan 8.370 nan 0.000 0.451 145 R N 0.351 120.855 120.500 0.007 0.000 2.543 145 R HA 0.410 4.750 4.340 -0.000 0.000 0.277 145 R C -0.969 175.343 176.300 0.020 0.000 1.074 145 R CA -0.512 55.595 56.100 0.013 0.000 1.076 145 R CB 0.453 30.759 30.300 0.009 0.000 0.993 145 R HN 0.088 nan 8.270 nan 0.000 0.459 146 V N 2.518 122.456 119.914 0.040 0.000 2.577 146 V HA 0.417 4.537 4.120 -0.000 0.000 0.303 146 V C -0.199 175.931 176.094 0.061 0.000 1.042 146 V CA -0.638 61.697 62.300 0.058 0.000 0.872 146 V CB 1.812 33.690 31.823 0.093 0.000 0.998 146 V HN 1.093 nan 8.190 nan 0.000 0.423 147 T N 0.672 115.235 114.554 0.015 0.000 2.906 147 T HA 0.742 5.092 4.350 -0.000 0.000 0.295 147 T C -0.475 174.209 174.700 -0.027 0.000 1.075 147 T CA -0.664 61.424 62.100 -0.019 0.000 1.005 147 T CB 1.384 70.281 68.868 0.048 0.000 1.136 147 T HN 0.133 nan 8.240 nan 0.000 0.498 148 F N 1.331 121.364 119.950 0.138 0.000 2.602 148 F HA 0.205 4.732 4.527 -0.000 0.000 0.367 148 F C 1.373 177.211 175.800 0.064 0.000 1.126 148 F CA -0.061 58.002 58.000 0.105 0.000 1.321 148 F CB 0.326 39.377 39.000 0.085 0.000 1.094 148 F HN 0.628 nan 8.300 nan 0.000 0.594 149 D N 1.921 122.463 120.400 0.237 0.000 3.057 149 D HA 0.096 4.736 4.640 -0.000 0.000 0.246 149 D C -0.678 175.692 176.300 0.117 0.000 1.238 149 D CA 0.005 54.086 54.000 0.134 0.000 0.949 149 D CB -0.310 40.544 40.800 0.090 0.000 1.086 149 D HN 0.352 nan 8.370 nan 0.000 0.487 150 T N 0.711 115.341 114.554 0.127 0.000 2.758 150 T HA 0.292 4.642 4.350 -0.000 0.000 0.285 150 T C 0.209 174.963 174.700 0.089 0.000 0.981 150 T CA -0.549 61.600 62.100 0.082 0.000 0.965 150 T CB 1.439 70.336 68.868 0.049 0.000 0.927 150 T HN -0.007 nan 8.240 nan 0.000 0.448 151 T N 3.986 118.584 114.554 0.074 0.000 2.832 151 T HA 0.293 4.643 4.350 -0.000 0.000 0.296 151 T C 0.026 174.798 174.700 0.121 0.000 0.968 151 T CA -0.438 61.724 62.100 0.104 0.000 1.107 151 T CB 0.004 68.916 68.868 0.075 0.000 0.916 151 T HN 0.476 nan 8.240 nan 0.000 0.517 152 F N 3.752 123.727 119.950 0.042 0.000 2.529 152 F HA 0.227 4.754 4.527 -0.000 0.000 0.365 152 F C 0.458 176.290 175.800 0.053 0.000 1.102 152 F CA 0.102 58.140 58.000 0.063 0.000 1.271 152 F CB 0.329 39.395 39.000 0.109 0.000 1.120 152 F HN 0.483 nan 8.300 nan 0.000 0.579 153 Q N 4.529 123.956 119.800 -0.621 0.000 2.389 153 Q HA 0.479 4.819 4.340 -0.000 0.000 0.277 153 Q C -1.355 174.313 176.000 -0.552 0.000 1.082 153 Q CA -1.307 54.246 55.803 -0.417 0.000 0.810 153 Q CB 2.645 31.262 28.738 -0.202 0.000 1.374 153 Q HN 0.460 nan 8.270 nan 0.000 0.422 154 V N 3.018 122.763 119.914 -0.282 0.000 2.530 154 V HA 0.295 4.415 4.120 -0.000 0.000 0.282 154 V C 0.087 176.112 176.094 -0.114 0.000 1.048 154 V CA -0.196 62.001 62.300 -0.172 0.000 0.997 154 V CB 0.573 32.367 31.823 -0.049 0.000 0.987 154 V HN 0.562 nan 8.190 nan 0.000 0.477 155 L N 5.665 126.839 121.223 -0.081 0.000 2.365 155 L HA 0.539 4.879 4.340 -0.000 0.000 0.267 155 L C -2.167 174.683 176.870 -0.034 0.000 1.033 155 L CA -1.987 52.829 54.840 -0.040 0.000 0.802 155 L CB 1.472 43.528 42.059 -0.005 0.000 1.267 155 L HN 0.429 nan 8.230 nan 0.000 0.457 156 P HA 0.056 nan 4.420 nan 0.000 0.269 156 P C -0.924 176.328 177.300 -0.080 0.000 1.217 156 P CA 0.166 63.170 63.100 -0.160 0.000 0.783 156 P CB 0.114 31.710 31.700 -0.173 0.000 0.898 157 H N -0.038 119.038 119.070 0.010 0.000 2.791 157 H HA -0.175 4.381 4.556 -0.000 0.000 0.302 157 H C -0.227 175.104 175.328 0.006 0.000 1.198 157 H CA 0.472 56.526 56.048 0.009 0.000 1.145 157 H CB -2.703 27.067 29.762 0.013 0.000 1.385 157 H HN 0.352 nan 8.280 nan 0.000 0.409 158 Q N -1.916 117.911 119.800 0.047 0.000 2.463 158 Q HA -0.209 4.131 4.340 -0.000 0.000 0.299 158 Q C -0.262 175.761 176.000 0.038 0.000 1.353 158 Q CA 1.487 57.311 55.803 0.035 0.000 0.828 158 Q CB -0.777 27.982 28.738 0.035 0.000 1.157 158 Q HN 0.706 nan 8.270 nan 0.000 0.436 159 R N -0.810 119.713 120.500 0.039 0.000 2.892 159 R HA 0.868 5.208 4.340 -0.000 0.000 0.265 159 R C 0.120 176.432 176.300 0.019 0.000 1.025 159 R CA -0.534 55.590 56.100 0.041 0.000 0.982 159 R CB 1.904 32.242 30.300 0.063 0.000 1.185 159 R HN 0.106 nan 8.270 nan 0.000 0.484 163 K N -0.682 119.607 120.400 -0.184 0.000 2.138 163 K HA 0.594 4.914 4.320 -0.000 0.000 0.251 163 K C 0.880 177.520 176.600 0.067 0.000 1.015 163 K CA 0.582 56.820 56.287 -0.081 0.000 0.917 163 K CB 1.389 33.932 32.500 0.072 0.000 1.021 163 K HN 2.234 nan 8.250 nan 0.000 0.485 164 A N 0.680 123.571 122.820 0.118 0.000 2.847 164 A HA -0.176 4.144 4.320 -0.000 0.000 0.263 164 A C 0.724 178.503 177.584 0.326 0.000 1.391 164 A CA 0.853 53.013 52.037 0.204 0.000 0.866 164 A CB -2.324 16.784 19.000 0.181 0.000 1.057 164 A HN 0.704 nan 8.150 nan 0.000 0.673 165 F N 0.702 120.705 119.950 0.089 0.000 2.154 165 F HA -0.032 4.495 4.527 -0.000 0.000 0.301 165 F C 1.427 177.259 175.800 0.054 0.000 1.087 165 F CA 1.571 59.613 58.000 0.070 0.000 1.274 165 F CB -0.407 38.633 39.000 0.066 0.000 1.009 165 F HN 0.543 nan 8.300 nan 0.000 0.485 166 D N 0.384 120.949 120.400 0.275 0.000 2.393 166 D HA 0.058 4.698 4.640 -0.000 0.000 0.232 166 D C -0.492 175.892 176.300 0.139 0.000 1.192 166 D CA 0.178 54.297 54.000 0.197 0.000 0.882 166 D CB 0.110 41.080 40.800 0.283 0.000 1.038 166 D HN -0.043 nan 8.370 nan 0.000 0.499 167 D N 2.666 123.020 120.400 -0.077 0.000 2.720 167 D HA 0.118 4.758 4.640 -0.000 0.000 0.285 167 D C 1.101 177.343 176.300 -0.097 0.000 1.359 167 D CA -0.230 53.649 54.000 -0.201 0.000 0.818 167 D CB 0.302 40.640 40.800 -0.769 0.000 1.108 167 D HN 0.197 nan 8.370 nan 0.000 0.474 168 R N -0.071 120.442 120.500 0.020 0.000 2.148 168 R HA 0.034 4.374 4.340 -0.000 0.000 0.227 168 R C 1.929 178.240 176.300 0.018 0.000 1.103 168 R CA 0.339 56.466 56.100 0.044 0.000 0.983 168 R CB -0.398 29.969 30.300 0.113 0.000 0.874 168 R HN 0.358 nan 8.270 nan 0.000 0.451 169 L N 0.386 121.584 121.223 -0.042 0.000 2.042 169 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 169 L C 2.192 179.074 176.870 0.021 0.000 1.076 169 L CA 1.442 56.218 54.840 -0.107 0.000 0.749 169 L CB -0.415 41.533 42.059 -0.185 0.000 0.893 169 L HN 0.111 nan 8.230 nan 0.000 0.432 170 S N -1.430 114.278 115.700 0.013 0.000 2.414 170 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 170 S C 2.102 176.724 174.600 0.037 0.000 1.022 170 S CA 0.888 59.106 58.200 0.031 0.000 0.958 170 S CB -0.277 62.931 63.200 0.013 0.000 0.797 170 S HN 0.442 nan 8.310 nan 0.000 0.493 171 C N 0.753 120.068 119.300 0.025 0.000 2.413 171 C HA -0.108 4.352 4.460 -0.000 0.000 0.276 171 C C 2.328 177.344 174.990 0.043 0.000 1.248 171 C CA 0.621 59.657 59.018 0.030 0.000 1.742 171 C CB -1.368 26.389 27.740 0.027 0.000 2.017 171 C HN 0.731 nan 8.230 nan 0.000 0.481 172 Y N 1.350 121.618 120.300 -0.054 0.000 2.165 172 Y HA -0.180 4.370 4.550 -0.000 0.000 0.286 172 Y C 2.213 178.084 175.900 -0.048 0.000 1.155 172 Y CA 1.589 59.650 58.100 -0.064 0.000 1.164 172 Y CB -0.395 38.007 38.460 -0.097 0.000 0.978 172 Y HN 0.227 nan 8.280 nan 0.000 0.513 173 L N -0.374 120.924 121.223 0.125 0.000 2.083 173 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 173 L C 2.438 179.284 176.870 -0.041 0.000 1.083 173 L CA 1.037 55.903 54.840 0.044 0.000 0.752 173 L CB -0.579 41.533 42.059 0.088 0.000 0.899 173 L HN 0.324 nan 8.230 nan 0.000 0.433 174 L N -1.041 120.167 121.223 -0.025 0.000 2.042 174 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 174 L C 2.527 179.351 176.870 -0.078 0.000 1.076 174 L CA 1.045 55.866 54.840 -0.031 0.000 0.749 174 L CB -0.621 41.435 42.059 -0.005 0.000 0.893 174 L HN 0.089 nan 8.230 nan 0.000 0.432 175 V N -0.125 119.710 119.914 -0.131 0.000 2.343 175 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 175 V C 2.716 178.688 176.094 -0.202 0.000 1.051 175 V CA 2.326 64.524 62.300 -0.169 0.000 1.036 175 V CB -0.973 30.724 31.823 -0.209 0.000 0.654 175 V HN 0.678 nan 8.190 nan 0.000 0.451 176 T N -1.923 112.460 114.554 -0.285 0.000 2.951 176 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 176 T C 1.846 176.478 174.700 -0.112 0.000 1.073 176 T CA 1.032 62.989 62.100 -0.239 0.000 1.134 176 T CB -0.315 68.362 68.868 -0.318 0.000 0.884 176 T HN 0.354 nan 8.240 nan 0.000 0.479 177 L N -0.167 121.006 121.223 -0.083 0.000 2.072 177 L HA 0.087 4.427 4.340 -0.000 0.000 0.205 177 L C 2.584 179.437 176.870 -0.028 0.000 1.079 177 L CA 0.780 55.597 54.840 -0.039 0.000 0.752 177 L CB -0.618 41.428 42.059 -0.023 0.000 0.906 177 L HN 0.252 nan 8.230 nan 0.000 0.436 178 L N 0.292 121.488 121.223 -0.045 0.000 1.989 178 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 178 L C 2.711 179.578 176.870 -0.004 0.000 1.071 178 L CA 1.823 56.643 54.840 -0.034 0.000 0.749 178 L CB -0.540 41.479 42.059 -0.066 0.000 0.890 178 L HN 0.085 nan 8.230 nan 0.000 0.431 179 R N -0.648 119.825 120.500 -0.045 0.000 2.091 179 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 179 R C 2.321 178.685 176.300 0.107 0.000 1.136 179 R CA 1.674 57.756 56.100 -0.030 0.000 0.959 179 R CB -0.426 29.826 30.300 -0.080 0.000 0.856 179 R HN 0.591 nan 8.270 nan 0.000 0.437 180 E N 0.752 120.982 120.200 0.049 0.000 2.072 180 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 180 E C 1.274 177.896 176.600 0.037 0.000 0.982 180 E CA 0.863 57.289 56.400 0.043 0.000 0.803 180 E CB 0.228 29.929 29.700 0.002 0.000 0.755 180 E HN 0.279 nan 8.360 nan 0.000 0.453 181 L N 0.542 121.783 121.223 0.029 0.000 2.769 181 L HA 0.139 4.478 4.340 -0.000 0.000 0.240 181 L C 1.695 178.543 176.870 -0.036 0.000 1.163 181 L CA 0.031 54.858 54.840 -0.020 0.000 0.962 181 L CB -0.156 41.892 42.059 -0.019 0.000 1.258 181 L HN 0.253 nan 8.230 nan 0.000 0.513 182 H N -2.177 116.858 119.070 -0.058 0.000 2.489 182 H HA -0.100 4.456 4.556 -0.000 0.000 0.293 182 H C 0.879 176.172 175.328 -0.058 0.000 1.066 182 H CA 1.405 57.414 56.048 -0.065 0.000 1.305 182 H CB -0.041 29.682 29.762 -0.065 0.000 1.386 182 H HN 0.137 nan 8.280 nan 0.000 0.551 183 D N 0.145 120.188 120.400 -0.595 0.000 2.433 183 D HA 0.325 4.965 4.640 -0.000 0.000 0.211 183 D C 0.338 176.509 176.300 -0.215 0.000 1.114 183 D CA 0.343 54.095 54.000 -0.412 0.000 0.837 183 D CB 0.433 40.925 40.800 -0.512 0.000 0.984 183 D HN 0.562 nan 8.370 nan 0.000 0.505 184 A N 0.644 123.364 122.820 -0.166 0.000 2.371 184 A HA 0.251 4.571 4.320 -0.000 0.000 0.257 184 A C 0.311 177.851 177.584 -0.074 0.000 1.089 184 A CA -0.236 51.740 52.037 -0.101 0.000 0.794 184 A CB 0.579 19.535 19.000 -0.074 0.000 1.029 184 A HN 0.009 nan 8.150 nan 0.000 0.488 185 E N 0.989 121.155 120.200 -0.055 0.000 2.152 185 E HA 0.422 4.772 4.350 -0.000 0.000 0.285 185 E C -1.406 175.178 176.600 -0.027 0.000 1.043 185 E CA -0.350 56.026 56.400 -0.040 0.000 0.839 185 E CB 0.422 30.102 29.700 -0.033 0.000 1.069 185 E HN 0.416 nan 8.360 nan 0.000 0.399 186 L N 6.288 127.497 121.223 -0.023 0.000 2.354 186 L HA 0.379 4.719 4.340 -0.000 0.000 0.269 186 L C -1.698 175.171 176.870 -0.002 0.000 1.005 186 L CA -2.230 52.604 54.840 -0.010 0.000 0.819 186 L CB 1.522 43.573 42.059 -0.013 0.000 1.311 186 L HN 0.508 nan 8.230 nan 0.000 0.423 187 P HA 0.136 nan 4.420 nan 0.000 0.241 187 P C -0.288 177.019 177.300 0.011 0.000 1.191 187 P CA 0.376 63.482 63.100 0.010 0.000 0.771 187 P CB 0.842 32.553 31.700 0.018 0.000 0.929 188 A N -0.097 122.734 122.820 0.017 0.000 2.423 188 A HA 0.499 4.819 4.320 -0.000 0.000 0.304 188 A C -0.784 176.816 177.584 0.026 0.000 1.104 188 A CA -0.722 51.330 52.037 0.026 0.000 0.757 188 A CB 1.343 20.364 19.000 0.037 0.000 1.313 188 A HN -0.024 nan 8.150 nan 0.000 0.423 189 E N 1.046 121.277 120.200 0.051 0.000 2.130 189 E HA 0.485 4.835 4.350 -0.000 0.000 0.284 189 E C -1.275 175.377 176.600 0.086 0.000 1.018 189 E CA -0.338 56.091 56.400 0.048 0.000 0.817 189 E CB 0.783 30.549 29.700 0.109 0.000 1.078 189 E HN 0.371 nan 8.360 nan 0.000 0.396 190 V N 5.528 125.429 119.914 -0.022 0.000 2.394 190 V HA 0.272 4.392 4.120 -0.000 0.000 0.282 190 V C -0.742 175.279 176.094 -0.122 0.000 1.031 190 V CA -0.587 61.718 62.300 0.008 0.000 0.881 190 V CB 0.542 32.358 31.823 -0.011 0.000 0.982 190 V HN 0.664 nan 8.190 nan 0.000 0.451 191 W N 5.022 126.324 121.300 0.002 0.000 2.417 191 W HA 0.676 5.336 4.660 -0.000 0.000 0.315 191 W C -0.496 176.023 176.519 0.001 0.000 1.045 191 W CA -0.508 56.835 57.345 -0.004 0.000 1.221 191 W CB 1.336 30.793 29.460 -0.005 0.000 1.309 191 W HN 0.343 nan 8.180 nan 0.000 0.453 192 L N 4.802 126.111 121.223 0.143 0.000 2.257 192 L HA 0.558 4.898 4.340 -0.000 0.000 0.290 192 L C -0.312 176.632 176.870 0.123 0.000 1.044 192 L CA -0.958 53.940 54.840 0.097 0.000 0.810 192 L CB 0.515 42.588 42.059 0.024 0.000 1.193 192 L HN 0.043 nan 8.230 nan 0.000 0.425 193 V N 2.833 122.821 119.914 0.122 0.000 2.448 193 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 193 V C 0.163 176.315 176.094 0.097 0.000 1.025 193 V CA -0.528 61.843 62.300 0.118 0.000 0.859 193 V CB 1.780 33.674 31.823 0.119 0.000 0.988 193 V HN 0.816 nan 8.190 nan 0.000 0.431 194 A N 3.923 126.800 122.820 0.095 0.000 2.322 194 A HA 0.711 5.031 4.320 -0.000 0.000 0.327 194 A C 0.371 178.026 177.584 0.118 0.000 1.394 194 A CA -0.379 51.717 52.037 0.098 0.000 0.921 194 A CB 0.481 19.532 19.000 0.084 0.000 1.153 194 A HN 0.959 nan 8.150 nan 0.000 0.523 195 S N 1.978 117.758 115.700 0.133 0.000 2.610 195 S HA 0.602 5.072 4.470 -0.000 0.000 0.273 195 S C 0.395 175.076 174.600 0.135 0.000 1.274 195 S CA -0.250 58.027 58.200 0.129 0.000 1.023 195 S CB 1.408 64.680 63.200 0.121 0.000 0.962 195 S HN 0.940 nan 8.310 nan 0.000 0.523 196 S N 1.202 116.964 115.700 0.104 0.000 2.554 196 S HA 0.462 4.932 4.470 -0.000 0.000 0.278 196 S C 0.274 174.909 174.600 0.059 0.000 1.242 196 S CA -0.063 58.188 58.200 0.086 0.000 1.051 196 S CB -0.261 62.981 63.200 0.069 0.000 0.986 196 S HN 1.431 nan 8.310 nan 0.000 0.502 197 S N 1.909 117.637 115.700 0.047 0.000 3.698 197 S HA -0.129 4.341 4.470 -0.000 0.000 0.338 197 S C 0.635 175.208 174.600 -0.045 0.000 1.089 197 S CA 1.070 59.272 58.200 0.004 0.000 0.991 197 S CB -1.706 61.496 63.200 0.005 0.000 0.909 197 S HN 0.852 nan 8.310 nan 0.000 0.485 198 E N 1.230 121.361 120.200 -0.115 0.000 2.208 198 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 198 E C 1.852 178.311 176.600 -0.235 0.000 0.988 198 E CA 0.884 57.148 56.400 -0.227 0.000 0.828 198 E CB 0.066 29.500 29.700 -0.444 0.000 0.763 198 E HN 0.523 nan 8.360 nan 0.000 0.478 199 E N -0.422 119.641 120.200 -0.227 0.000 2.338 199 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 199 E C 1.700 178.243 176.600 -0.095 0.000 1.007 199 E CA 1.062 57.368 56.400 -0.156 0.000 0.849 199 E CB 0.262 29.881 29.700 -0.136 0.000 0.774 199 E HN 0.354 nan 8.360 nan 0.000 0.506 200 V N -4.109 115.760 119.914 -0.075 0.000 3.621 200 V HA 0.516 4.636 4.120 -0.000 0.000 0.285 200 V C 0.854 176.929 176.094 -0.031 0.000 1.346 200 V CA 0.471 62.743 62.300 -0.047 0.000 1.104 200 V CB 0.504 32.303 31.823 -0.039 0.000 0.913 200 V HN 0.131 nan 8.190 nan 0.000 0.432 201 G N 1.047 109.827 108.800 -0.034 0.000 2.368 201 G HA2 0.210 4.170 3.960 -0.000 0.000 0.269 201 G HA3 0.210 4.170 3.960 -0.000 0.000 0.269 201 G C -0.860 174.031 174.900 -0.015 0.000 1.291 201 G CA -0.476 44.615 45.100 -0.016 0.000 0.903 201 G HN 0.880 nan 8.290 nan 0.000 0.483 202 L N -0.679 120.544 121.223 0.000 0.000 2.480 202 L HA 0.760 5.100 4.340 -0.000 0.000 0.243 202 L C 1.004 177.877 176.870 0.005 0.000 1.315 202 L CA -0.572 54.273 54.840 0.009 0.000 1.231 202 L CB 0.130 42.200 42.059 0.018 0.000 1.444 202 L HN 0.469 nan 8.230 nan 0.000 0.409 203 R N 1.594 122.094 120.500 -0.000 0.000 1.806 203 R HA 0.369 4.709 4.340 -0.000 0.000 0.156 203 R C 2.093 178.401 176.300 0.013 0.000 1.954 203 R CA 1.229 57.330 56.100 0.002 0.000 1.548 203 R CB -0.918 29.379 30.300 -0.006 0.000 1.149 203 R HN 0.510 nan 8.270 nan 0.000 0.478 204 G N -0.494 108.318 108.800 0.022 0.000 2.448 204 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.219 204 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.219 204 G C 1.424 176.349 174.900 0.042 0.000 1.127 204 G CA 0.850 45.973 45.100 0.038 0.000 0.766 204 G HN 0.508 nan 8.290 nan 0.000 0.552 205 G N 0.229 109.055 108.800 0.043 0.000 2.491 205 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 205 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 205 G C 1.641 176.561 174.900 0.033 0.000 1.180 205 G CA 1.269 46.399 45.100 0.050 0.000 0.774 205 G HN 0.504 nan 8.290 nan 0.000 0.562 206 Q N 0.011 119.825 119.800 0.023 0.000 2.014 206 Q HA -0.195 4.145 4.340 -0.000 0.000 0.207 206 Q C 2.908 178.908 176.000 0.001 0.000 0.993 206 Q CA 2.740 58.547 55.803 0.008 0.000 0.850 206 Q CB -0.378 28.361 28.738 0.003 0.000 0.916 206 Q HN 0.629 nan 8.270 nan 0.000 0.417 207 T N -2.043 112.515 114.554 0.006 0.000 2.821 207 T HA 0.012 4.362 4.350 -0.000 0.000 0.267 207 T C 1.844 176.542 174.700 -0.003 0.000 1.046 207 T CA 1.066 63.167 62.100 0.002 0.000 1.139 207 T CB -0.396 68.479 68.868 0.012 0.000 0.871 207 T HN 0.346 nan 8.240 nan 0.000 0.454 208 A N 1.743 124.568 122.820 0.009 0.000 1.898 208 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 208 A C 2.635 180.198 177.584 -0.035 0.000 1.181 208 A CA 1.974 54.011 52.037 0.001 0.000 0.620 208 A CB -1.468 17.553 19.000 0.035 0.000 0.819 208 A HN 0.545 nan 8.150 nan 0.000 0.442 209 T N -0.124 114.418 114.554 -0.020 0.000 2.720 209 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 209 T C 2.037 176.696 174.700 -0.068 0.000 1.037 209 T CA 1.632 63.710 62.100 -0.037 0.000 1.144 209 T CB -0.258 68.606 68.868 -0.007 0.000 0.864 209 T HN 0.494 nan 8.240 nan 0.000 0.444 210 R N 0.774 121.240 120.500 -0.056 0.000 2.092 210 R HA 0.068 4.407 4.340 -0.000 0.000 0.231 210 R C 2.844 179.088 176.300 -0.095 0.000 1.119 210 R CA 1.191 57.253 56.100 -0.064 0.000 0.970 210 R CB -0.442 29.832 30.300 -0.044 0.000 0.864 210 R HN 0.380 nan 8.270 nan 0.000 0.440 211 A N 0.491 123.249 122.820 -0.102 0.000 1.933 211 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 211 A C 2.261 179.682 177.584 -0.272 0.000 1.175 211 A CA 1.286 53.237 52.037 -0.143 0.000 0.628 211 A CB -0.243 18.694 19.000 -0.105 0.000 0.814 211 A HN 0.116 nan 8.150 nan 0.000 0.444 212 V N -1.055 118.669 119.914 -0.318 0.000 2.446 212 V HA -0.034 4.085 4.120 -0.000 0.000 0.244 212 V C 1.113 176.981 176.094 -0.377 0.000 1.039 212 V CA 1.161 63.140 62.300 -0.534 0.000 1.045 212 V CB -0.760 30.774 31.823 -0.482 0.000 0.681 212 V HN 0.571 nan 8.190 nan 0.000 0.459 213 S N 0.806 116.379 115.700 -0.211 0.000 3.572 213 S HA -0.099 4.371 4.470 -0.000 0.000 0.394 213 S C -1.953 172.584 174.600 -0.106 0.000 0.923 213 S CA 0.181 58.302 58.200 -0.131 0.000 1.291 213 S CB -1.061 62.071 63.200 -0.114 0.000 0.914 213 S HN 0.578 nan 8.310 nan 0.000 0.545 214 P HA 0.325 nan 4.420 nan 0.000 0.276 214 P C 0.397 177.692 177.300 -0.007 0.000 1.252 214 P CA -0.323 62.758 63.100 -0.031 0.000 0.802 214 P CB 0.643 32.343 31.700 0.000 0.000 1.035 215 D N -0.767 119.637 120.400 0.008 0.000 2.305 215 D HA 0.094 4.734 4.640 -0.000 0.000 0.206 215 D C 0.264 176.568 176.300 0.007 0.000 0.974 215 D CA 0.970 54.972 54.000 0.004 0.000 0.871 215 D CB 0.524 41.322 40.800 -0.004 0.000 0.947 215 D HN 0.113 nan 8.370 nan 0.000 0.516 216 V N 0.116 120.041 119.914 0.019 0.000 2.932 216 V HA 0.683 4.803 4.120 -0.000 0.000 0.307 216 V C -0.958 175.166 176.094 0.050 0.000 1.147 216 V CA -1.199 61.117 62.300 0.026 0.000 0.951 216 V CB 2.161 33.989 31.823 0.008 0.000 1.031 216 V HN 0.048 nan 8.190 nan 0.000 0.426 217 A N 4.108 126.964 122.820 0.060 0.000 2.393 217 A HA 0.942 5.262 4.320 -0.000 0.000 0.306 217 A C -1.132 176.497 177.584 0.075 0.000 1.050 217 A CA -0.510 51.569 52.037 0.071 0.000 0.724 217 A CB 1.321 20.362 19.000 0.069 0.000 1.248 217 A HN 0.771 nan 8.150 nan 0.000 0.424 218 I N 2.731 123.350 120.570 0.082 0.000 2.355 218 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 218 I C -0.723 175.441 176.117 0.078 0.000 0.999 218 I CA -0.847 60.499 61.300 0.078 0.000 1.163 218 I CB 1.766 39.816 38.000 0.083 0.000 1.316 218 I HN 0.297 nan 8.210 nan 0.000 0.454 219 V N 7.488 127.446 119.914 0.074 0.000 2.407 219 V HA 0.355 4.475 4.120 -0.000 0.000 0.278 219 V C 0.179 176.325 176.094 0.088 0.000 1.037 219 V CA -0.505 61.848 62.300 0.087 0.000 0.900 219 V CB 1.560 33.438 31.823 0.092 0.000 0.983 219 V HN 0.476 nan 8.190 nan 0.000 0.459 220 L N 5.108 126.388 121.223 0.094 0.000 2.264 220 L HA 0.673 5.013 4.340 -0.000 0.000 0.289 220 L C -0.375 176.562 176.870 0.112 0.000 1.044 220 L CA 0.011 54.904 54.840 0.088 0.000 0.807 220 L CB 1.188 43.287 42.059 0.068 0.000 1.192 220 L HN 0.586 nan 8.230 nan 0.000 0.425 221 D N 0.558 121.037 120.400 0.130 0.000 2.615 221 D HA 0.490 5.130 4.640 -0.000 0.000 0.267 221 D C -0.931 175.468 176.300 0.166 0.000 1.236 221 D CA -0.134 53.968 54.000 0.170 0.000 0.839 221 D CB 2.570 43.519 40.800 0.249 0.000 1.380 221 D HN 0.514 nan 8.370 nan 0.000 0.433 222 T N -1.575 113.077 114.554 0.164 0.000 2.930 222 T HA 0.958 5.308 4.350 -0.000 0.000 0.290 222 T C -0.617 174.145 174.700 0.104 0.000 1.052 222 T CA -0.654 61.527 62.100 0.135 0.000 1.017 222 T CB 1.868 70.800 68.868 0.106 0.000 1.137 222 T HN 0.533 nan 8.240 nan 0.000 0.511 223 A N -0.032 122.825 122.820 0.061 0.000 2.606 223 A HA 0.785 5.105 4.320 -0.000 0.000 0.293 223 A C -0.305 177.259 177.584 -0.034 0.000 1.082 223 A CA -0.696 51.289 52.037 -0.086 0.000 0.685 223 A CB 0.823 19.665 19.000 -0.263 0.000 1.284 223 A HN 1.887 nan 8.150 nan 0.000 0.408 224 C N -1.153 118.095 119.300 -0.086 0.000 2.779 224 C HA 0.874 5.334 4.460 -0.000 0.000 0.314 224 C C -0.335 174.683 174.990 0.047 0.000 1.231 224 C CA -0.963 58.037 59.018 -0.030 0.000 1.652 224 C CB 0.987 28.668 27.740 -0.099 0.000 2.198 224 C HN 0.956 nan 8.230 nan 0.000 0.483 225 W N 2.414 123.637 121.300 -0.130 0.000 2.316 225 W HA 0.459 5.119 4.660 -0.000 0.000 0.311 225 W C 0.870 177.321 176.519 -0.113 0.000 1.217 225 W CA 0.071 57.360 57.345 -0.094 0.000 1.199 225 W CB 1.823 31.251 29.460 -0.054 0.000 1.202 225 W HN 1.122 nan 8.180 nan 0.000 0.528 226 A N 5.277 127.758 122.820 -0.566 0.000 1.978 226 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 226 A C 1.044 178.444 177.584 -0.307 0.000 1.170 226 A CA 1.309 53.092 52.037 -0.424 0.000 0.636 226 A CB -0.192 18.528 19.000 -0.467 0.000 0.810 226 A HN 0.418 nan 8.150 nan 0.000 0.448 227 K N 1.083 121.262 120.400 -0.368 0.000 2.184 227 K HA 0.123 4.443 4.320 -0.000 0.000 0.259 227 K C 0.083 176.746 176.600 0.106 0.000 1.119 227 K CA -0.186 56.070 56.287 -0.051 0.000 0.991 227 K CB 0.486 33.015 32.500 0.049 0.000 1.522 227 K HN 0.393 nan 8.250 nan 0.000 0.405 228 N N 1.466 120.145 118.700 -0.036 0.000 2.104 228 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 228 N C 0.363 175.712 175.510 -0.267 0.000 1.024 228 N CA 1.647 54.556 53.050 -0.236 0.000 0.853 228 N CB 0.004 38.198 38.487 -0.488 0.000 1.008 228 N HN 0.370 nan 8.380 nan 0.000 0.424 229 F N -0.712 119.268 119.950 0.050 0.000 2.639 229 F HA 0.226 4.753 4.527 -0.000 0.000 0.300 229 F C 0.125 175.739 175.800 -0.309 0.000 1.109 229 F CA -0.584 57.323 58.000 -0.156 0.000 1.335 229 F CB 0.067 38.945 39.000 -0.203 0.000 1.014 229 F HN -0.053 nan 8.300 nan 0.000 0.537 230 D N -0.024 120.443 120.400 0.113 0.000 2.393 230 D HA -0.016 4.624 4.640 -0.000 0.000 0.232 230 D C 0.104 176.528 176.300 0.206 0.000 1.192 230 D CA -0.007 54.066 54.000 0.123 0.000 0.882 230 D CB 0.195 41.144 40.800 0.248 0.000 1.038 230 D HN 0.092 nan 8.370 nan 0.000 0.499 231 Y N 2.143 122.454 120.300 0.018 0.000 2.532 231 Y HA 0.339 4.889 4.550 -0.000 0.000 0.283 231 Y C 1.604 177.444 175.900 -0.099 0.000 1.181 231 Y CA -0.835 57.233 58.100 -0.053 0.000 1.256 231 Y CB -0.267 38.181 38.460 -0.020 0.000 1.112 231 Y HN 0.340 nan 8.280 nan 0.000 0.521 232 G N 0.066 108.893 108.800 0.045 0.000 2.683 232 G HA2 0.254 4.214 3.960 -0.000 0.000 0.260 232 G HA3 0.254 4.214 3.960 -0.000 0.000 0.260 232 G C 1.182 175.997 174.900 -0.141 0.000 1.238 232 G CA 0.133 45.217 45.100 -0.027 0.000 0.934 232 G HN 0.333 nan 8.290 nan 0.000 0.534 233 A N -0.707 122.034 122.820 -0.131 0.000 2.121 233 A HA 0.256 4.576 4.320 -0.000 0.000 0.218 233 A C 2.506 179.897 177.584 -0.321 0.000 1.154 233 A CA 2.052 53.965 52.037 -0.206 0.000 0.679 233 A CB -0.428 18.522 19.000 -0.083 0.000 0.795 233 A HN 1.170 nan 8.150 nan 0.000 0.458 234 A N -0.164 122.516 122.820 -0.233 0.000 2.072 234 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 234 A C 1.176 178.336 177.584 -0.708 0.000 1.156 234 A CA 0.583 52.490 52.037 -0.216 0.000 0.701 234 A CB -0.317 18.699 19.000 0.026 0.000 0.816 234 A HN 0.440 nan 8.150 nan 0.000 0.458 235 N N 1.005 119.175 118.700 -0.883 0.000 2.415 235 N HA 0.029 4.769 4.740 -0.000 0.000 0.250 235 N C -0.273 174.730 175.510 -0.845 0.000 1.127 235 N CA 0.014 52.309 53.050 -1.259 0.000 0.945 235 N CB -0.171 37.815 38.487 -0.836 0.000 1.196 235 N HN 0.413 nan 8.380 nan 0.000 0.499 236 H N 3.346 122.073 119.070 -0.571 0.000 2.524 236 H HA 0.227 4.783 4.556 -0.000 0.000 0.299 236 H C -0.016 175.224 175.328 -0.146 0.000 1.074 236 H CA 0.049 55.939 56.048 -0.263 0.000 1.115 236 H CB 0.720 30.377 29.762 -0.175 0.000 1.522 236 H HN 0.441 nan 8.280 nan 0.000 0.543 237 R N 1.034 121.476 120.500 -0.097 0.000 2.734 237 R HA 0.168 4.508 4.340 -0.000 0.000 0.395 237 R C -0.380 175.890 176.300 -0.049 0.000 1.096 237 R CA -0.184 55.921 56.100 0.008 0.000 1.071 237 R CB 0.910 31.285 30.300 0.125 0.000 1.348 237 R HN 0.215 nan 8.270 nan 0.000 0.600 238 Q N 1.980 121.710 119.800 -0.118 0.000 2.296 238 Q HA 0.286 4.626 4.340 -0.000 0.000 0.257 238 Q C 0.347 176.266 176.000 -0.136 0.000 0.942 238 Q CA -0.474 55.229 55.803 -0.166 0.000 0.939 238 Q CB 1.746 30.331 28.738 -0.255 0.000 1.198 238 Q HN 0.407 nan 8.270 nan 0.000 0.429 239 I N -0.793 119.703 120.570 -0.123 0.000 2.710 239 I HA 0.274 4.444 4.170 -0.000 0.000 0.286 239 I C 0.985 177.033 176.117 -0.114 0.000 1.181 239 I CA 0.708 61.956 61.300 -0.088 0.000 1.430 239 I CB 0.217 38.185 38.000 -0.053 0.000 1.367 239 I HN 0.863 nan 8.210 nan 0.000 0.577 240 G N 4.587 113.338 108.800 -0.081 0.000 2.217 240 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 240 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 240 G C 0.508 175.356 174.900 -0.087 0.000 0.990 240 G CA 0.349 45.400 45.100 -0.082 0.000 0.627 240 G HN 0.702 nan 8.290 nan 0.000 0.522 241 N N 1.507 120.149 118.700 -0.097 0.000 2.268 241 N HA 0.477 5.217 4.740 -0.000 0.000 0.204 241 N C 1.071 176.546 175.510 -0.058 0.000 1.124 241 N CA 1.704 54.702 53.050 -0.088 0.000 0.838 241 N CB 0.398 38.816 38.487 -0.115 0.000 0.994 241 N HN 1.686 nan 8.380 nan 0.000 0.489 242 G N 0.453 109.226 108.800 -0.046 0.000 2.663 242 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 242 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 242 G C -2.859 172.028 174.900 -0.020 0.000 1.288 242 G CA -1.170 43.911 45.100 -0.032 0.000 0.836 242 G HN -0.023 nan 8.290 nan 0.000 0.584 246 V N 6.492 126.339 119.914 -0.113 0.000 2.389 246 V HA 0.172 4.292 4.120 -0.000 0.000 0.264 246 V C 1.092 177.063 176.094 -0.205 0.000 1.049 246 V CA -0.362 61.795 62.300 -0.239 0.000 0.932 246 V CB 1.099 32.667 31.823 -0.425 0.000 1.011 246 V HN 0.740 nan 8.190 nan 0.000 0.475 247 L N 4.098 125.209 121.223 -0.187 0.000 2.179 247 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 247 L C 1.109 177.890 176.870 -0.149 0.000 1.096 247 L CA 1.181 55.938 54.840 -0.137 0.000 0.779 247 L CB -0.446 41.546 42.059 -0.111 0.000 0.922 247 L HN 0.927 nan 8.230 nan 0.000 0.443 248 S N -1.751 113.826 115.700 -0.204 0.000 2.567 248 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 248 S C -1.374 173.078 174.600 -0.247 0.000 1.152 248 S CA -0.864 57.229 58.200 -0.178 0.000 0.835 248 S CB 2.477 65.623 63.200 -0.090 0.000 1.115 248 S HN 0.166 nan 8.310 nan 0.000 0.459 249 D N -0.163 120.148 120.400 -0.149 0.000 2.664 249 D HA 0.454 5.094 4.640 -0.000 0.000 0.292 249 D C 0.352 176.678 176.300 0.044 0.000 1.214 249 D CA -0.857 53.129 54.000 -0.022 0.000 0.932 249 D CB 0.364 41.154 40.800 -0.017 0.000 1.420 249 D HN 0.265 nan 8.370 nan 0.000 0.471 250 K N -0.390 120.074 120.400 0.107 0.000 2.280 250 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 250 K C 1.607 178.248 176.600 0.069 0.000 1.047 250 K CA 1.509 57.845 56.287 0.081 0.000 0.942 250 K CB -0.302 32.252 32.500 0.089 0.000 0.739 250 K HN 0.563 nan 8.250 nan 0.000 0.457 251 S N -0.412 115.332 115.700 0.073 0.000 2.503 251 S HA 0.090 4.560 4.470 -0.000 0.000 0.215 251 S C 0.528 175.171 174.600 0.072 0.000 1.003 251 S CA -0.401 57.851 58.200 0.088 0.000 0.910 251 S CB 0.173 63.433 63.200 0.101 0.000 0.790 251 S HN 0.130 nan 8.310 nan 0.000 0.514 252 L N 1.243 122.446 121.223 -0.034 0.000 2.526 252 L HA 0.553 4.893 4.340 -0.000 0.000 0.263 252 L C -2.015 174.756 176.870 -0.165 0.000 0.943 252 L CA -0.699 54.021 54.840 -0.200 0.000 0.859 252 L CB 1.903 43.770 42.059 -0.321 0.000 1.313 252 L HN 0.066 nan 8.230 nan 0.000 0.406 253 I N 4.575 125.049 120.570 -0.160 0.000 2.307 253 I HA 0.529 4.699 4.170 -0.000 0.000 0.289 253 I C 0.815 176.857 176.117 -0.125 0.000 1.021 253 I CA -0.496 60.737 61.300 -0.112 0.000 1.224 253 I CB 0.994 38.961 38.000 -0.055 0.000 1.376 253 I HN 0.827 nan 8.210 nan 0.000 0.470 254 A N 9.275 132.026 122.820 -0.114 0.000 2.483 254 A HA 0.456 4.776 4.320 -0.000 0.000 0.238 254 A C -2.226 175.338 177.584 -0.033 0.000 1.070 254 A CA -0.723 51.263 52.037 -0.084 0.000 0.770 254 A CB -0.603 18.353 19.000 -0.073 0.000 1.008 254 A HN 0.507 nan 8.150 nan 0.000 0.497 255 P HA 0.250 nan 4.420 nan 0.000 0.276 255 P C -2.141 175.178 177.300 0.032 0.000 1.243 255 P CA -1.355 61.769 63.100 0.039 0.000 0.768 255 P CB 0.454 32.193 31.700 0.064 0.000 0.856 256 P HA -0.192 nan 4.420 nan 0.000 0.217 256 P C 1.245 178.565 177.300 0.034 0.000 1.148 256 P CA 1.737 64.853 63.100 0.027 0.000 0.828 256 P CB 0.023 31.740 31.700 0.029 0.000 0.783 257 K N -1.190 119.226 120.400 0.025 0.000 2.057 257 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 257 K C 1.953 178.588 176.600 0.058 0.000 1.050 257 K CA 0.951 57.246 56.287 0.014 0.000 0.935 257 K CB -0.789 31.678 32.500 -0.056 0.000 0.715 257 K HN 0.091 nan 8.250 nan 0.000 0.439 258 L N 1.385 122.642 121.223 0.056 0.000 2.027 258 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 258 L C 2.462 179.428 176.870 0.159 0.000 1.074 258 L CA 2.101 57.012 54.840 0.118 0.000 0.745 258 L CB -0.940 41.164 42.059 0.075 0.000 0.898 258 L HN 0.291 nan 8.230 nan 0.000 0.433 259 T N -2.851 111.754 114.554 0.085 0.000 2.746 259 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 259 T C 1.934 176.671 174.700 0.061 0.000 1.039 259 T CA 1.141 63.274 62.100 0.055 0.000 1.142 259 T CB -0.971 67.904 68.868 0.012 0.000 0.866 259 T HN 0.342 nan 8.240 nan 0.000 0.444 260 A N 0.521 123.385 122.820 0.073 0.000 1.908 260 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 260 A C 2.068 179.715 177.584 0.106 0.000 1.181 260 A CA 1.650 53.728 52.037 0.069 0.000 0.627 260 A CB -1.449 17.590 19.000 0.065 0.000 0.818 260 A HN 0.784 nan 8.150 nan 0.000 0.445 261 W N 0.478 121.764 121.300 -0.023 0.000 2.379 261 W HA -0.110 4.550 4.660 -0.000 0.000 0.307 261 W C 1.793 178.301 176.519 -0.018 0.000 1.200 261 W CA 1.720 59.052 57.345 -0.021 0.000 1.297 261 W CB -0.335 29.110 29.460 -0.024 0.000 1.140 261 W HN 0.286 nan 8.180 nan 0.000 0.507 262 I N 0.665 121.201 120.570 -0.056 0.000 2.226 262 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 262 I C 2.263 178.245 176.117 -0.225 0.000 1.100 262 I CA 1.876 63.030 61.300 -0.244 0.000 1.374 262 I CB -0.579 37.396 38.000 -0.041 0.000 1.057 262 I HN 0.051 nan 8.210 nan 0.000 0.413 263 E N 0.193 120.321 120.200 -0.119 0.000 2.085 263 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 263 E C 2.216 178.737 176.600 -0.133 0.000 0.994 263 E CA 2.166 58.506 56.400 -0.100 0.000 0.801 263 E CB -0.185 29.485 29.700 -0.050 0.000 0.743 263 E HN 0.610 nan 8.360 nan 0.000 0.453 264 T N -1.126 113.334 114.554 -0.157 0.000 2.788 264 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 264 T C 2.059 176.619 174.700 -0.233 0.000 1.044 264 T CA 1.239 63.244 62.100 -0.159 0.000 1.139 264 T CB -0.508 68.296 68.868 -0.106 0.000 0.867 264 T HN -0.029 nan 8.240 nan 0.000 0.454 265 V N 2.353 122.026 119.914 -0.403 0.000 2.295 265 V HA -0.034 4.086 4.120 -0.000 0.000 0.246 265 V C 3.333 179.281 176.094 -0.243 0.000 1.049 265 V CA 1.652 63.711 62.300 -0.401 0.000 1.024 265 V CB -1.540 29.886 31.823 -0.661 0.000 0.648 265 V HN 0.706 nan 8.190 nan 0.000 0.447 266 A N 0.102 122.794 122.820 -0.212 0.000 1.908 266 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 266 A C 2.421 179.943 177.584 -0.103 0.000 1.181 266 A CA 2.200 54.155 52.037 -0.136 0.000 0.627 266 A CB -0.827 18.107 19.000 -0.111 0.000 0.818 266 A HN 0.582 nan 8.150 nan 0.000 0.445 267 A N -0.508 122.251 122.820 -0.101 0.000 1.933 267 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 267 A C 2.036 179.578 177.584 -0.069 0.000 1.175 267 A CA 1.777 53.769 52.037 -0.074 0.000 0.628 267 A CB -0.510 18.451 19.000 -0.065 0.000 0.814 267 A HN 0.692 nan 8.150 nan 0.000 0.444 268 E N 0.245 120.394 120.200 -0.085 0.000 2.051 268 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 268 E C 1.813 178.376 176.600 -0.062 0.000 0.991 268 E CA 1.596 57.953 56.400 -0.071 0.000 0.799 268 E CB -0.253 29.398 29.700 -0.081 0.000 0.748 268 E HN 0.794 nan 8.360 nan 0.000 0.449 269 I N -3.375 117.152 120.570 -0.073 0.000 3.684 269 I HA 0.332 4.502 4.170 -0.000 0.000 0.304 269 I C 1.141 177.229 176.117 -0.049 0.000 1.278 269 I CA 0.610 61.875 61.300 -0.059 0.000 1.272 269 I CB 0.234 38.195 38.000 -0.065 0.000 1.029 269 I HN 0.193 nan 8.210 nan 0.000 0.458 270 G N 1.776 110.546 108.800 -0.050 0.000 2.182 270 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.248 270 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.248 270 G C -0.018 174.857 174.900 -0.041 0.000 1.042 270 G CA 0.156 45.231 45.100 -0.041 0.000 0.775 270 G HN 0.312 nan 8.290 nan 0.000 0.501 271 V N 2.782 122.667 119.914 -0.048 0.000 2.364 271 V HA 0.432 4.552 4.120 -0.000 0.000 0.272 271 V C -1.096 174.971 176.094 -0.045 0.000 1.036 271 V CA -1.365 60.909 62.300 -0.044 0.000 0.880 271 V CB 1.477 33.271 31.823 -0.048 0.000 0.991 271 V HN 0.302 nan 8.190 nan 0.000 0.460 272 P HA 0.320 nan 4.420 nan 0.000 0.275 272 P C -0.955 176.326 177.300 -0.033 0.000 1.228 272 P CA -0.184 62.894 63.100 -0.036 0.000 0.786 272 P CB 1.263 32.941 31.700 -0.035 0.000 0.927 273 L N 2.316 123.521 121.223 -0.029 0.000 2.362 273 L HA 0.390 4.730 4.340 -0.000 0.000 0.271 273 L C 0.480 177.346 176.870 -0.007 0.000 1.002 273 L CA -0.716 54.111 54.840 -0.023 0.000 0.818 273 L CB 2.110 44.150 42.059 -0.031 0.000 1.298 273 L HN 0.281 nan 8.230 nan 0.000 0.420 274 Q N 2.220 122.023 119.800 0.005 0.000 2.347 274 Q HA 0.529 4.869 4.340 -0.000 0.000 0.262 274 Q C -0.508 175.507 176.000 0.024 0.000 0.980 274 Q CA -0.597 55.231 55.803 0.041 0.000 0.867 274 Q CB 2.253 31.017 28.738 0.043 0.000 1.242 274 Q HN 0.680 nan 8.270 nan 0.000 0.453 275 A N 3.112 125.929 122.820 -0.006 0.000 2.302 275 A HA 0.348 4.668 4.320 -0.000 0.000 0.295 275 A C -0.685 176.793 177.584 -0.177 0.000 1.235 275 A CA -0.120 51.863 52.037 -0.090 0.000 0.876 275 A CB 0.366 19.299 19.000 -0.112 0.000 1.133 275 A HN 0.712 nan 8.150 nan 0.000 0.533 279 S N 0.540 116.384 115.700 0.240 0.000 2.425 279 S HA 0.002 4.472 4.470 -0.000 0.000 0.225 279 S C 0.973 175.631 174.600 0.096 0.000 1.024 279 S CA 1.048 59.328 58.200 0.134 0.000 0.951 279 S CB 0.338 63.595 63.200 0.094 0.000 0.796 279 S HN 0.578 nan 8.310 nan 0.000 0.498 280 N N 1.574 120.321 118.700 0.079 0.000 2.724 280 N HA 0.271 5.011 4.740 -0.000 0.000 0.226 280 N C 0.940 176.486 175.510 0.059 0.000 1.030 280 N CA 0.907 53.980 53.050 0.039 0.000 1.038 280 N CB -1.026 37.451 38.487 -0.016 0.000 1.475 280 N HN 0.455 nan 8.380 nan 0.000 0.472 281 G N -0.485 108.341 108.800 0.044 0.000 2.539 281 G HA2 0.512 4.472 3.960 -0.000 0.000 0.258 281 G HA3 0.512 4.472 3.960 -0.000 0.000 0.258 281 G C 0.149 175.164 174.900 0.193 0.000 1.202 281 G CA -0.042 45.094 45.100 0.060 0.000 0.851 281 G HN 0.270 nan 8.290 nan 0.000 0.556 282 G N -1.060 107.838 108.800 0.164 0.000 2.667 282 G HA2 0.763 4.723 3.960 -0.000 0.000 0.310 282 G HA3 0.763 4.723 3.960 -0.000 0.000 0.310 282 G C -0.139 174.884 174.900 0.204 0.000 1.259 282 G CA 0.184 45.396 45.100 0.187 0.000 1.019 282 G HN 1.078 nan 8.290 nan 0.000 0.496 283 T N -3.261 111.399 114.554 0.176 0.000 2.696 283 T HA 0.388 4.738 4.350 -0.000 0.000 0.291 283 T C 0.117 174.887 174.700 0.116 0.000 1.095 283 T CA -0.225 61.977 62.100 0.170 0.000 1.026 283 T CB 1.401 70.397 68.868 0.213 0.000 1.390 283 T HN 0.235 nan 8.240 nan 0.000 0.513 284 D N 0.328 120.799 120.400 0.119 0.000 2.309 284 D HA 0.068 4.708 4.640 -0.000 0.000 0.212 284 D C 2.137 178.500 176.300 0.106 0.000 0.968 284 D CA 1.356 55.417 54.000 0.102 0.000 0.882 284 D CB -0.863 40.014 40.800 0.128 0.000 0.918 284 D HN 0.754 nan 8.370 nan 0.000 0.503 285 G N 0.684 109.544 108.800 0.100 0.000 2.442 285 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 285 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 285 G C 1.701 176.702 174.900 0.167 0.000 1.141 285 G CA 0.942 46.092 45.100 0.083 0.000 0.763 285 G HN 0.431 nan 8.290 nan 0.000 0.554 286 G N 1.097 110.000 108.800 0.171 0.000 2.433 286 G HA2 0.049 4.009 3.960 -0.000 0.000 0.216 286 G HA3 0.049 4.009 3.960 -0.000 0.000 0.216 286 G C 2.092 177.131 174.900 0.233 0.000 1.186 286 G CA 1.589 46.855 45.100 0.277 0.000 0.779 286 G HN 0.637 nan 8.290 nan 0.000 0.543 287 A N -0.012 122.880 122.820 0.120 0.000 1.902 287 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 287 A C 2.623 180.232 177.584 0.042 0.000 1.181 287 A CA 1.937 54.004 52.037 0.050 0.000 0.623 287 A CB -0.691 18.333 19.000 0.039 0.000 0.818 287 A HN 0.270 nan 8.150 nan 0.000 0.443 288 V N 1.205 121.180 119.914 0.101 0.000 2.295 288 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 288 V C 2.591 178.741 176.094 0.093 0.000 1.049 288 V CA 2.113 64.466 62.300 0.089 0.000 1.024 288 V CB -1.110 30.775 31.823 0.102 0.000 0.648 288 V HN 0.936 nan 8.190 nan 0.000 0.447 289 H N -0.950 118.131 119.070 0.018 0.000 2.524 289 H HA -0.006 4.550 4.556 -0.000 0.000 0.282 289 H C 1.609 176.943 175.328 0.010 0.000 1.016 289 H CA 0.901 56.959 56.048 0.017 0.000 1.270 289 H CB -0.104 29.671 29.762 0.021 0.000 1.394 289 H HN 0.345 nan 8.280 nan 0.000 0.568 290 L N 2.078 123.012 121.223 -0.480 0.000 2.629 290 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 290 L C 0.288 177.057 176.870 -0.169 0.000 1.151 290 L CA 0.305 54.907 54.840 -0.396 0.000 0.924 290 L CB -0.369 41.456 42.059 -0.391 0.000 1.137 290 L HN 0.098 nan 8.230 nan 0.000 0.457 291 T N -0.151 114.341 114.554 -0.104 0.000 2.832 291 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 291 T C 1.076 175.746 174.700 -0.050 0.000 0.968 291 T CA 0.512 62.577 62.100 -0.059 0.000 1.107 291 T CB 1.062 69.909 68.868 -0.034 0.000 0.916 291 T HN 0.564 nan 8.240 nan 0.000 0.517 292 G N 3.614 112.387 108.800 -0.045 0.000 2.622 292 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.307 292 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.307 292 G C 1.060 175.937 174.900 -0.038 0.000 1.226 292 G CA 0.790 45.867 45.100 -0.037 0.000 0.997 292 G HN 1.154 nan 8.290 nan 0.000 0.551 293 T N -0.766 113.771 114.554 -0.028 0.000 3.163 293 T HA 0.568 4.918 4.350 -0.000 0.000 0.252 293 T C 1.274 175.963 174.700 -0.017 0.000 1.056 293 T CA 1.136 63.221 62.100 -0.024 0.000 0.947 293 T CB 0.024 68.883 68.868 -0.014 0.000 1.016 293 T HN 2.671 nan 8.240 nan 0.000 0.554 294 G N 0.241 109.030 108.800 -0.020 0.000 2.906 294 G HA2 0.186 4.146 3.960 -0.000 0.000 0.686 294 G HA3 0.186 4.146 3.960 -0.000 0.000 0.686 294 G C -1.151 173.771 174.900 0.038 0.000 1.170 294 G CA -0.711 44.388 45.100 -0.002 0.000 0.775 294 G HN 0.633 nan 8.290 nan 0.000 0.630 295 V N 3.812 123.765 119.914 0.065 0.000 2.483 295 V HA 0.546 4.666 4.120 -0.000 0.000 0.297 295 V C -2.004 174.160 176.094 0.117 0.000 1.027 295 V CA -1.704 60.642 62.300 0.076 0.000 0.855 295 V CB 2.277 34.136 31.823 0.060 0.000 0.995 295 V HN 0.662 nan 8.190 nan 0.000 0.424 296 P HA 0.186 nan 4.420 nan 0.000 0.261 296 P C -0.337 177.005 177.300 0.070 0.000 1.203 296 P CA 0.639 63.790 63.100 0.085 0.000 0.767 296 P CB 0.166 31.894 31.700 0.046 0.000 0.785 297 T N 4.537 119.129 114.554 0.063 0.000 2.912 297 T HA 0.688 5.038 4.350 -0.000 0.000 0.299 297 T C -0.320 174.384 174.700 0.006 0.000 1.052 297 T CA -0.637 61.492 62.100 0.048 0.000 0.996 297 T CB 0.918 69.831 68.868 0.075 0.000 1.070 297 T HN 0.269 nan 8.240 nan 0.000 0.465 298 L N -0.023 121.212 121.223 0.020 0.000 2.403 298 L HA 0.987 5.327 4.340 -0.000 0.000 0.253 298 L C -1.455 175.418 176.870 0.005 0.000 1.045 298 L CA -1.093 53.742 54.840 -0.008 0.000 0.845 298 L CB 1.316 43.370 42.059 -0.008 0.000 1.447 298 L HN 0.389 nan 8.230 nan 0.000 0.411 302 P HA 0.526 nan 4.420 nan 0.000 0.279 302 P C 0.143 177.468 177.300 0.041 0.000 1.239 302 P CA -0.012 63.100 63.100 0.020 0.000 0.789 302 P CB 1.368 33.060 31.700 -0.013 0.000 0.933 303 A N 2.827 125.668 122.820 0.035 0.000 2.386 303 A HA 0.560 4.880 4.320 -0.000 0.000 0.248 303 A C 0.586 178.192 177.584 0.036 0.000 1.082 303 A CA 0.186 52.249 52.037 0.042 0.000 0.789 303 A CB -0.390 18.624 19.000 0.023 0.000 1.025 303 A HN 0.679 nan 8.150 nan 0.000 0.490 304 T N -0.456 114.123 114.554 0.042 0.000 2.887 304 T HA 0.712 5.062 4.350 -0.000 0.000 0.292 304 T C -0.395 174.293 174.700 -0.020 0.000 1.087 304 T CA -0.962 61.174 62.100 0.060 0.000 1.009 304 T CB 1.209 70.157 68.868 0.132 0.000 1.203 304 T HN 0.663 nan 8.240 nan 0.000 0.518 305 R N 0.718 121.183 120.500 -0.059 0.000 2.407 305 R HA 0.620 4.960 4.340 -0.000 0.000 0.303 305 R C -0.574 175.567 176.300 -0.265 0.000 0.981 305 R CA -0.623 55.302 56.100 -0.292 0.000 0.905 305 R CB 0.546 30.605 30.300 -0.402 0.000 1.099 305 R HN 0.981 nan 8.270 nan 0.000 0.459 306 H N -0.755 118.270 119.070 -0.076 0.000 4.734 306 H HA -0.100 4.456 4.556 -0.000 0.000 0.252 306 H C 0.066 175.344 175.328 -0.083 0.000 0.525 306 H CA 0.910 56.902 56.048 -0.093 0.000 0.682 306 H CB -0.502 29.196 29.762 -0.107 0.000 0.876 306 H HN 0.985 nan 8.280 nan 0.000 0.317 307 G N -1.589 107.231 108.800 0.034 0.000 2.442 307 G HA2 0.402 4.362 3.960 -0.000 0.000 0.296 307 G HA3 0.402 4.362 3.960 -0.000 0.000 0.296 307 G C -1.186 173.750 174.900 0.059 0.000 1.564 307 G CA -0.256 44.841 45.100 -0.006 0.000 0.828 307 G HN 1.211 nan 8.290 nan 0.000 0.571 308 H N -1.825 117.240 119.070 -0.008 0.000 2.713 308 H HA -0.256 4.300 4.556 -0.000 0.000 0.311 308 H C 0.896 176.199 175.328 -0.043 0.000 1.175 308 H CA 0.987 57.039 56.048 0.007 0.000 1.143 308 H CB -1.692 28.079 29.762 0.015 0.000 1.434 308 H HN 1.325 nan 8.280 nan 0.000 0.418 309 C N -4.433 114.808 119.300 -0.098 0.000 3.275 309 C HA 0.807 5.267 4.460 -0.000 0.000 0.373 309 C C 1.990 176.408 174.990 -0.953 0.000 1.934 309 C CA -0.199 58.523 59.018 -0.492 0.000 1.228 309 C CB 0.941 28.514 27.740 -0.278 0.000 2.317 309 C HN 0.296 nan 8.230 nan 0.000 0.437 310 A N 0.496 122.608 122.820 -1.180 0.000 1.986 310 A HA 0.433 4.753 4.320 -0.000 0.000 0.220 310 A C 1.088 178.424 177.584 -0.413 0.000 1.171 310 A CA 2.211 53.719 52.037 -0.882 0.000 0.640 310 A CB -0.770 17.961 19.000 -0.449 0.000 0.811 310 A HN 2.449 nan 8.150 nan 0.000 0.451 311 A N -1.840 120.762 122.820 -0.363 0.000 2.555 311 A HA 0.624 4.944 4.320 -0.000 0.000 0.297 311 A C -0.361 177.057 177.584 -0.276 0.000 1.060 311 A CA -0.109 51.733 52.037 -0.325 0.000 0.710 311 A CB 0.798 19.630 19.000 -0.280 0.000 1.282 311 A HN 0.267 nan 8.150 nan 0.000 0.399 312 S N 0.324 115.796 115.700 -0.380 0.000 2.704 312 S HA 0.838 5.308 4.470 -0.000 0.000 0.305 312 S C -0.484 174.001 174.600 -0.191 0.000 1.107 312 S CA -0.468 57.623 58.200 -0.181 0.000 0.993 312 S CB 1.243 64.409 63.200 -0.057 0.000 1.110 312 S HN 0.585 nan 8.310 nan 0.000 0.534 313 I N 1.058 121.686 120.570 0.097 0.000 2.509 313 I HA 0.717 4.887 4.170 -0.000 0.000 0.293 313 I C -0.278 175.999 176.117 0.268 0.000 1.020 313 I CA -0.572 60.837 61.300 0.181 0.000 1.088 313 I CB 1.855 39.927 38.000 0.119 0.000 1.267 313 I HN 0.707 nan 8.210 nan 0.000 0.430 314 A N 3.642 126.651 122.820 0.315 0.000 2.515 314 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 314 A C -1.610 176.009 177.584 0.058 0.000 1.094 314 A CA -0.564 51.556 52.037 0.138 0.000 0.718 314 A CB 1.786 20.795 19.000 0.015 0.000 1.307 314 A HN 0.712 nan 8.150 nan 0.000 0.408 315 D N 0.397 120.800 120.400 0.006 0.000 2.280 315 D HA 0.406 5.046 4.640 -0.000 0.000 0.236 315 D C 0.892 177.174 176.300 -0.030 0.000 1.082 315 D CA -0.339 53.658 54.000 -0.005 0.000 0.834 315 D CB 1.056 41.846 40.800 -0.016 0.000 1.100 315 D HN 0.390 nan 8.370 nan 0.000 0.486 316 C N 3.494 122.779 119.300 -0.024 0.000 2.413 316 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 316 C C 2.495 177.469 174.990 -0.026 0.000 1.265 316 C CA 0.388 59.383 59.018 -0.039 0.000 1.752 316 C CB -0.859 26.871 27.740 -0.017 0.000 1.998 316 C HN 0.773 nan 8.230 nan 0.000 0.489 317 R N 1.043 121.535 120.500 -0.014 0.000 2.096 317 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 317 R C 1.716 178.005 176.300 -0.017 0.000 1.139 317 R CA 2.179 58.272 56.100 -0.012 0.000 0.952 317 R CB -0.433 29.860 30.300 -0.011 0.000 0.854 317 R HN 0.471 nan 8.270 nan 0.000 0.436 318 D N 0.315 120.700 120.400 -0.025 0.000 2.133 318 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 318 D C 1.881 178.168 176.300 -0.022 0.000 0.997 318 D CA 1.451 55.436 54.000 -0.025 0.000 0.840 318 D CB -0.174 40.609 40.800 -0.029 0.000 0.947 318 D HN 0.362 nan 8.370 nan 0.000 0.452 319 I N 0.265 120.814 120.570 -0.035 0.000 2.252 319 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 319 I C 2.382 178.510 176.117 0.018 0.000 1.102 319 I CA 0.594 61.876 61.300 -0.030 0.000 1.385 319 I CB -0.133 37.801 38.000 -0.110 0.000 1.064 319 I HN -0.023 nan 8.210 nan 0.000 0.414 320 L N -0.041 121.192 121.223 0.016 0.000 2.046 320 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 320 L C 1.550 178.431 176.870 0.018 0.000 1.077 320 L CA 0.982 55.841 54.840 0.032 0.000 0.747 320 L CB -0.591 41.483 42.059 0.024 0.000 0.896 320 L HN 0.330 nan 8.230 nan 0.000 0.432 324 Q N 0.924 120.726 119.800 0.004 0.000 2.079 324 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 324 Q C 2.207 178.193 176.000 -0.022 0.000 0.974 324 Q CA 1.527 57.325 55.803 -0.009 0.000 0.840 324 Q CB 0.105 28.836 28.738 -0.012 0.000 0.898 324 Q HN 0.267 nan 8.270 nan 0.000 0.430 325 L N 0.731 121.938 121.223 -0.027 0.000 2.046 325 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 325 L C 2.048 178.897 176.870 -0.034 0.000 1.077 325 L CA 1.526 56.338 54.840 -0.046 0.000 0.747 325 L CB -0.569 41.460 42.059 -0.049 0.000 0.896 325 L HN 0.282 nan 8.230 nan 0.000 0.432 326 L N -1.306 119.913 121.223 -0.007 0.000 2.017 326 L HA -0.233 4.106 4.340 -0.000 0.000 0.208 326 L C 2.721 179.600 176.870 0.014 0.000 1.073 326 L CA 1.625 56.473 54.840 0.012 0.000 0.745 326 L CB -0.878 41.195 42.059 0.022 0.000 0.894 326 L HN 0.374 nan 8.230 nan 0.000 0.432 327 S N -0.385 115.317 115.700 0.004 0.000 2.359 327 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 327 S C 2.089 176.691 174.600 0.002 0.000 1.035 327 S CA 1.474 59.676 58.200 0.003 0.000 1.018 327 S CB -0.147 63.051 63.200 -0.004 0.000 0.876 327 S HN 0.451 nan 8.310 nan 0.000 0.448 328 A N 1.200 124.010 122.820 -0.017 0.000 1.930 328 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 328 A C 2.231 179.800 177.584 -0.025 0.000 1.175 328 A CA 1.277 53.295 52.037 -0.032 0.000 0.627 328 A CB -0.728 18.231 19.000 -0.067 0.000 0.815 328 A HN 0.575 nan 8.150 nan 0.000 0.443 329 L N -0.668 120.536 121.223 -0.032 0.000 2.046 329 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 329 L C 2.492 179.481 176.870 0.199 0.000 1.077 329 L CA 1.375 56.234 54.840 0.032 0.000 0.747 329 L CB -0.543 41.541 42.059 0.041 0.000 0.896 329 L HN 0.364 nan 8.230 nan 0.000 0.432 330 I N -0.552 120.089 120.570 0.119 0.000 2.226 330 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 330 I C 2.545 178.721 176.117 0.097 0.000 1.100 330 I CA 1.302 62.667 61.300 0.108 0.000 1.374 330 I CB -0.223 37.813 38.000 0.061 0.000 1.057 330 I HN 0.336 nan 8.210 nan 0.000 0.413 331 Q N 0.251 120.095 119.800 0.074 0.000 2.364 331 Q HA -0.138 4.201 4.340 -0.000 0.000 0.209 331 Q C 1.664 177.720 176.000 0.092 0.000 0.977 331 Q CA 0.973 56.811 55.803 0.059 0.000 0.885 331 Q CB 0.010 28.767 28.738 0.031 0.000 0.941 331 Q HN 0.492 nan 8.270 nan 0.000 0.464 332 R N -0.516 120.084 120.500 0.167 0.000 2.397 332 R HA 0.122 4.461 4.340 -0.000 0.000 0.241 332 R C -0.293 176.172 176.300 0.275 0.000 0.914 332 R CA -0.270 55.980 56.100 0.250 0.000 1.071 332 R CB 0.575 31.086 30.300 0.352 0.000 1.116 332 R HN -0.015 nan 8.270 nan 0.000 0.524 333 L N 3.045 124.383 121.223 0.192 0.000 2.391 333 L HA 0.091 4.431 4.340 -0.000 0.000 0.249 333 L C 0.351 177.210 176.870 -0.018 0.000 1.308 333 L CA 0.331 55.198 54.840 0.045 0.000 1.209 333 L CB -0.552 41.549 42.059 0.070 0.000 1.401 333 L HN 0.129 nan 8.230 nan 0.000 0.416 334 T N -2.073 112.458 114.554 -0.038 0.000 2.849 334 T HA 0.216 4.566 4.350 -0.000 0.000 0.284 334 T C 1.388 176.044 174.700 -0.074 0.000 1.004 334 T CA -0.571 61.506 62.100 -0.038 0.000 1.021 334 T CB 1.371 70.225 68.868 -0.023 0.000 1.013 334 T HN 0.392 nan 8.240 nan 0.000 0.527 335 R N 0.808 121.277 120.500 -0.051 0.000 2.096 335 R HA -0.158 4.182 4.340 -0.000 0.000 0.240 335 R C 2.219 178.472 176.300 -0.078 0.000 1.139 335 R CA 2.161 58.227 56.100 -0.056 0.000 0.952 335 R CB -0.997 29.282 30.300 -0.035 0.000 0.854 335 R HN 0.835 nan 8.270 nan 0.000 0.436 336 E N -0.639 119.519 120.200 -0.071 0.000 2.077 336 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 336 E C 1.703 178.227 176.600 -0.126 0.000 0.989 336 E CA 2.115 58.467 56.400 -0.080 0.000 0.800 336 E CB -0.478 29.189 29.700 -0.055 0.000 0.746 336 E HN 0.434 nan 8.360 nan 0.000 0.452 337 T N 0.274 114.731 114.554 -0.161 0.000 2.652 337 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 337 T C 1.929 176.423 174.700 -0.342 0.000 1.039 337 T CA 2.145 64.070 62.100 -0.291 0.000 1.153 337 T CB -0.669 67.965 68.868 -0.390 0.000 0.863 337 T HN 0.273 nan 8.240 nan 0.000 0.428 338 V N 0.695 120.442 119.914 -0.279 0.000 2.759 338 V HA -0.049 4.071 4.120 -0.000 0.000 0.256 338 V C 2.235 178.219 176.094 -0.183 0.000 1.080 338 V CA 1.173 63.328 62.300 -0.242 0.000 1.101 338 V CB -0.866 30.854 31.823 -0.172 0.000 0.698 338 V HN 0.333 nan 8.190 nan 0.000 0.477 339 V N 2.038 121.861 119.914 -0.152 0.000 2.307 339 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 339 V C 2.867 178.868 176.094 -0.155 0.000 1.045 339 V CA 2.550 64.774 62.300 -0.125 0.000 1.024 339 V CB -0.737 31.032 31.823 -0.090 0.000 0.651 339 V HN 0.863 nan 8.190 nan 0.000 0.449 340 Q N -0.374 119.325 119.800 -0.168 0.000 2.432 340 Q HA 0.027 4.367 4.340 -0.000 0.000 0.205 340 Q C 1.819 177.692 176.000 -0.212 0.000 0.945 340 Q CA 1.064 56.766 55.803 -0.169 0.000 0.924 340 Q CB -0.172 28.488 28.738 -0.131 0.000 1.016 340 Q HN 0.535 nan 8.270 nan 0.000 0.503 341 L N 0.335 121.410 121.223 -0.248 0.000 2.558 341 L HA 0.084 4.424 4.340 -0.000 0.000 0.225 341 L C 1.687 178.382 176.870 -0.292 0.000 1.128 341 L CA 0.861 55.549 54.840 -0.254 0.000 0.868 341 L CB 0.343 42.230 42.059 -0.287 0.000 1.006 341 L HN 0.223 nan 8.230 nan 0.000 0.454 342 T N -2.159 112.202 114.554 -0.322 0.000 3.200 342 T HA 0.053 4.403 4.350 -0.000 0.000 0.284 342 T C -0.006 174.326 174.700 -0.613 0.000 1.009 342 T CA -0.395 61.446 62.100 -0.431 0.000 0.907 342 T CB -0.055 68.713 68.868 -0.167 0.000 1.120 342 T HN -0.035 nan 8.240 nan 0.000 0.534 343 D N 0.569 120.656 120.400 -0.522 0.000 2.313 343 D HA 0.250 4.890 4.640 -0.000 0.000 0.239 343 D C 0.097 176.140 176.300 -0.429 0.000 1.142 343 D CA -0.680 53.110 54.000 -0.350 0.000 0.847 343 D CB 0.433 41.122 40.800 -0.184 0.000 1.082 343 D HN 0.290 nan 8.370 nan 0.000 0.480 344 F N 2.095 122.037 119.950 -0.013 0.000 2.727 344 F HA 0.241 4.768 4.527 -0.000 0.000 0.302 344 F C 1.657 177.452 175.800 -0.007 0.000 1.097 344 F CA -0.346 57.649 58.000 -0.009 0.000 1.330 344 F CB 0.325 39.321 39.000 -0.007 0.000 1.084 344 F HN 0.009 nan 8.300 nan 0.000 0.578 345 R N 0.000 120.563 120.500 0.105 0.000 2.786 345 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 345 R CA 0.000 56.138 56.100 0.063 0.000 0.921 345 R CB 0.000 30.322 30.300 0.036 0.000 0.687 345 R HN 0.000 nan 8.270 nan 0.000 0.535