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 2hta_1_A DATA FIRST_RESID -2 DATA SEQUENCE ASHMINKIFA LPVIEQLTPV LSRRQLDDLD LIVVDHPQVK ASFALQGAHL DATA SEQUENCE LSWKPVGEEE VLWLSNNTPF KTGVALRGGV PICWPWFGPA AQQGLPSHGF DATA SEQUENCE ARNLPWALKA HNEDDNGVML TFELQSSEAT RKYWPHDFTL LARFKVGKTC DATA SEQUENCE EIELEAHGEF ATTSALHSYF NVGDIANVKV SGLGDRFIDK VNDAKEGVLT DATA SEQUENCE DGIQTFPDRT DRVYLNPEAC SVIHDATLNR TIDVVHHHHL NVVGWNPGPA DATA SEQUENCE LSVSMGDMPD DGYKTFVCVE TVYATAPQQA TEEKPSRLAQ TICVAKR 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 0.000 177.504 177.584 -0.133 0.000 1.274 -2 A CA 0.000 51.848 52.037 -0.314 0.000 0.836 -2 A CB 0.000 18.794 19.000 -0.343 0.000 0.831 -1 S N -0.493 115.182 115.700 -0.043 0.000 2.383 -1 S HA -0.216 4.089 4.470 -0.275 0.000 0.229 -1 S C 1.750 176.345 174.600 -0.008 0.000 1.030 -1 S CA 2.301 60.485 58.200 -0.027 0.000 1.002 -1 S CB -0.458 62.737 63.200 -0.010 0.000 0.829 -1 S HN 0.727 nan 8.310 nan 0.000 0.467 0 H N 0.309 119.338 119.070 -0.069 0.000 2.321 0 H HA -0.025 4.365 4.556 -0.277 0.000 0.300 0 H C 2.071 177.356 175.328 -0.071 0.000 1.087 0 H CA 2.192 58.204 56.048 -0.060 0.000 1.319 0 H CB -0.341 29.389 29.762 -0.052 0.000 1.379 0 H HN 0.369 nan 8.280 nan 0.000 0.501 1 M N -0.207 119.346 119.600 -0.078 0.000 2.132 1 M HA -0.027 4.288 4.480 -0.275 0.000 0.263 1 M C 1.862 178.075 176.300 -0.144 0.000 1.065 1 M CA 1.516 56.730 55.300 -0.143 0.000 1.122 1 M CB -0.301 32.229 32.600 -0.116 0.000 1.365 1 M HN 0.405 nan 8.290 nan 0.000 0.411 2 I N 0.304 120.817 120.570 -0.095 0.000 2.315 2 I HA -0.280 3.725 4.170 -0.275 0.000 0.248 2 I C 1.713 177.874 176.117 0.074 0.000 1.117 2 I CA 0.829 62.130 61.300 0.002 0.000 1.404 2 I CB -0.749 37.255 38.000 0.005 0.000 1.071 2 I HN 0.334 nan 8.210 nan 0.000 0.419 3 N N 1.124 119.801 118.700 -0.038 0.000 2.223 3 N HA -0.154 4.421 4.740 -0.275 0.000 0.185 3 N C 1.687 177.161 175.510 -0.060 0.000 1.016 3 N CA 1.065 54.094 53.050 -0.036 0.000 0.863 3 N CB -0.205 38.222 38.487 -0.099 0.000 0.983 3 N HN 0.369 nan 8.380 nan 0.000 0.429 4 K N 0.586 120.881 120.400 -0.176 0.000 2.063 4 K HA -0.056 4.099 4.320 -0.275 0.000 0.208 4 K C 2.004 178.507 176.600 -0.162 0.000 1.048 4 K CA 0.873 57.038 56.287 -0.203 0.000 0.928 4 K CB -0.137 32.196 32.500 -0.277 0.000 0.713 4 K HN 0.208 nan 8.250 nan 0.000 0.442 5 I N -0.247 120.235 120.570 -0.147 0.000 2.252 5 I HA -0.225 3.781 4.170 -0.275 0.000 0.245 5 I C 1.754 177.729 176.117 -0.237 0.000 1.102 5 I CA 1.236 62.396 61.300 -0.232 0.000 1.385 5 I CB -0.134 37.713 38.000 -0.254 0.000 1.064 5 I HN 0.027 nan 8.210 nan 0.000 0.414 6 F N 0.552 120.435 119.950 -0.113 0.000 2.661 6 F HA 0.012 4.400 4.527 -0.232 0.000 0.298 6 F C 2.311 178.065 175.800 -0.077 0.000 1.137 6 F CA 0.704 58.657 58.000 -0.079 0.000 1.454 6 F CB -0.270 38.689 39.000 -0.068 0.000 1.103 6 F HN -0.013 nan 8.300 nan 0.000 0.577 7 A N -0.207 122.633 122.820 0.034 0.000 2.178 7 A HA 0.184 4.339 4.320 -0.275 0.000 0.211 7 A C 1.014 178.568 177.584 -0.050 0.000 1.157 7 A CA -0.068 51.962 52.037 -0.012 0.000 0.780 7 A CB -0.572 18.404 19.000 -0.040 0.000 0.828 7 A HN 0.175 nan 8.150 nan 0.000 0.476 8 L N 1.079 122.248 121.223 -0.089 0.000 2.483 8 L HA 0.170 4.346 4.340 -0.275 0.000 0.276 8 L C -2.105 174.720 176.870 -0.075 0.000 1.213 8 L CA -1.636 53.143 54.840 -0.102 0.000 0.843 8 L CB -0.000 41.971 42.059 -0.145 0.000 1.107 8 L HN 0.085 nan 8.230 nan 0.000 0.487 9 P HA 0.038 nan 4.420 nan 0.000 0.269 9 P C -0.672 176.599 177.300 -0.049 0.000 1.209 9 P CA -0.317 62.755 63.100 -0.046 0.000 0.776 9 P CB 0.510 32.185 31.700 -0.040 0.000 0.876 10 V N 4.687 124.579 119.914 -0.037 0.000 2.470 10 V HA 0.034 3.989 4.120 -0.275 0.000 0.276 10 V C 1.733 177.809 176.094 -0.029 0.000 1.040 10 V CA 0.502 62.781 62.300 -0.035 0.000 1.008 10 V CB 0.079 31.887 31.823 -0.024 0.000 0.990 10 V HN 0.503 nan 8.190 nan 0.000 0.477 11 I N 3.468 124.020 120.570 -0.030 0.000 2.494 11 I HA 0.091 4.096 4.170 -0.275 0.000 0.250 11 I C 0.778 176.886 176.117 -0.015 0.000 1.112 11 I CA 0.697 61.985 61.300 -0.021 0.000 1.438 11 I CB 0.245 38.233 38.000 -0.020 0.000 1.111 11 I HN 0.724 nan 8.210 nan 0.000 0.431 12 E N 1.032 121.221 120.200 -0.017 0.000 2.290 12 E HA 0.416 4.601 4.350 -0.275 0.000 0.274 12 E C -0.973 175.616 176.600 -0.018 0.000 0.889 12 E CA -0.868 55.524 56.400 -0.013 0.000 0.760 12 E CB 1.654 31.349 29.700 -0.008 0.000 1.206 12 E HN -0.117 nan 8.360 nan 0.000 0.419 13 Q N 2.701 122.494 119.800 -0.012 0.000 2.337 13 Q HA 0.206 4.382 4.340 -0.275 0.000 0.255 13 Q C -0.316 175.678 176.000 -0.010 0.000 0.997 13 Q CA -0.064 55.732 55.803 -0.011 0.000 0.925 13 Q CB 1.031 29.767 28.738 -0.003 0.000 1.212 13 Q HN 0.768 nan 8.270 nan 0.000 0.436 14 L N 2.101 123.307 121.223 -0.028 0.000 2.068 14 L HA 0.152 4.327 4.340 -0.275 0.000 0.204 14 L C 1.074 177.951 176.870 0.012 0.000 1.076 14 L CA 1.412 56.235 54.840 -0.029 0.000 0.753 14 L CB -0.306 41.673 42.059 -0.133 0.000 0.910 14 L HN 0.827 nan 8.230 nan 0.000 0.439 15 T N -6.821 107.735 114.554 0.003 0.000 2.754 15 T HA 0.376 4.561 4.350 -0.275 0.000 0.296 15 T C -2.386 172.333 174.700 0.031 0.000 1.205 15 T CA -1.470 60.654 62.100 0.040 0.000 1.009 15 T CB 1.186 70.100 68.868 0.076 0.000 1.368 15 T HN -0.336 nan 8.240 nan 0.000 0.509 16 P HA -0.008 nan 4.420 nan 0.000 0.221 16 P C 1.460 178.784 177.300 0.040 0.000 1.145 16 P CA 1.093 64.211 63.100 0.031 0.000 0.795 16 P CB -0.109 31.606 31.700 0.025 0.000 0.775 17 V N -6.116 113.836 119.914 0.064 0.000 3.661 17 V HA 0.256 4.211 4.120 -0.275 0.000 0.271 17 V C 0.561 176.702 176.094 0.079 0.000 1.315 17 V CA 0.233 62.591 62.300 0.097 0.000 1.072 17 V CB -0.417 31.517 31.823 0.185 0.000 0.830 17 V HN -0.124 nan 8.190 nan 0.000 0.443 18 L N 2.591 123.829 121.223 0.024 0.000 2.313 18 L HA 0.759 4.934 4.340 -0.275 0.000 0.283 18 L C -0.188 176.654 176.870 -0.047 0.000 1.013 18 L CA -0.082 54.738 54.840 -0.034 0.000 0.816 18 L CB 1.992 43.960 42.059 -0.152 0.000 1.236 18 L HN 0.490 nan 8.230 nan 0.000 0.419 19 S N 3.005 118.679 115.700 -0.044 0.000 2.569 19 S HA 0.620 4.925 4.470 -0.275 0.000 0.280 19 S C -0.839 173.729 174.600 -0.053 0.000 1.111 19 S CA -1.024 57.148 58.200 -0.046 0.000 0.887 19 S CB 2.411 65.588 63.200 -0.038 0.000 1.095 19 S HN 0.650 nan 8.310 nan 0.000 0.476 20 R N 1.064 121.538 120.500 -0.044 0.000 2.349 20 R HA 0.609 4.784 4.340 -0.275 0.000 0.299 20 R C -0.344 175.930 176.300 -0.043 0.000 1.027 20 R CA -0.482 55.597 56.100 -0.034 0.000 0.958 20 R CB 0.639 30.929 30.300 -0.017 0.000 1.047 20 R HN 0.828 nan 8.270 nan 0.000 0.468 21 R N 2.236 122.703 120.500 -0.054 0.000 2.947 21 R HA 0.330 4.505 4.340 -0.275 0.000 0.253 21 R C -1.200 175.063 176.300 -0.061 0.000 1.208 21 R CA -1.072 54.985 56.100 -0.071 0.000 1.012 21 R CB 1.779 32.010 30.300 -0.115 0.000 1.267 21 R HN 0.554 nan 8.270 nan 0.000 0.473 22 Q N 1.205 120.959 119.800 -0.076 0.000 2.289 22 Q HA 0.423 4.598 4.340 -0.275 0.000 0.270 22 Q C -1.989 173.943 176.000 -0.112 0.000 1.038 22 Q CA -0.800 54.965 55.803 -0.065 0.000 0.812 22 Q CB 2.096 30.812 28.738 -0.036 0.000 1.300 22 Q HN 0.337 nan 8.270 nan 0.000 0.427 23 L N 4.329 125.472 121.223 -0.133 0.000 2.343 23 L HA 0.423 4.598 4.340 -0.275 0.000 0.278 23 L C -0.030 176.773 176.870 -0.112 0.000 0.996 23 L CA 0.521 55.216 54.840 -0.242 0.000 0.831 23 L CB 1.243 42.948 42.059 -0.590 0.000 1.232 23 L HN 0.939 nan 8.230 nan 0.000 0.413 24 D N 2.150 122.502 120.400 -0.081 0.000 3.899 24 D HA -0.325 4.150 4.640 -0.275 0.000 0.146 24 D C 0.608 176.924 176.300 0.026 0.000 0.820 24 D CA 2.129 56.127 54.000 -0.004 0.000 1.056 24 D CB -0.188 40.639 40.800 0.045 0.000 0.474 24 D HN 0.752 nan 8.370 nan 0.000 0.457 25 D N -0.119 120.320 120.400 0.065 0.000 2.317 25 D HA 0.114 4.589 4.640 -0.275 0.000 0.211 25 D C 0.305 176.645 176.300 0.066 0.000 0.966 25 D CA 0.445 54.480 54.000 0.058 0.000 0.876 25 D CB -0.027 40.809 40.800 0.060 0.000 0.927 25 D HN 0.255 nan 8.370 nan 0.000 0.519 26 L N 1.266 122.547 121.223 0.097 0.000 2.307 26 L HA 0.282 4.457 4.340 -0.275 0.000 0.284 26 L C -0.087 176.828 176.870 0.076 0.000 1.023 26 L CA -0.906 53.998 54.840 0.106 0.000 0.810 26 L CB 1.742 43.910 42.059 0.182 0.000 1.231 26 L HN -0.312 nan 8.230 nan 0.000 0.423 27 D N 4.001 124.440 120.400 0.064 0.000 2.351 27 D HA 0.416 4.891 4.640 -0.275 0.000 0.251 27 D C -0.305 176.027 176.300 0.055 0.000 1.137 27 D CA 0.220 54.249 54.000 0.047 0.000 0.879 27 D CB 1.465 42.299 40.800 0.056 0.000 1.181 27 D HN 0.233 nan 8.370 nan 0.000 0.448 28 L N 2.574 123.813 121.223 0.025 0.000 2.346 28 L HA 0.471 4.646 4.340 -0.275 0.000 0.274 28 L C -0.184 176.701 176.870 0.024 0.000 1.007 28 L CA -1.060 53.795 54.840 0.024 0.000 0.818 28 L CB 1.960 43.996 42.059 -0.038 0.000 1.284 28 L HN 0.100 nan 8.230 nan 0.000 0.424 29 I N 3.297 123.918 120.570 0.086 0.000 2.339 29 I HA 0.366 4.371 4.170 -0.275 0.000 0.290 29 I C -0.162 176.016 176.117 0.102 0.000 0.994 29 I CA -0.503 60.848 61.300 0.086 0.000 1.191 29 I CB 1.670 39.742 38.000 0.120 0.000 1.343 29 I HN 0.190 nan 8.210 nan 0.000 0.458 30 V N 7.232 127.138 119.914 -0.013 0.000 2.448 30 V HA 0.388 4.343 4.120 -0.275 0.000 0.295 30 V C 0.073 176.178 176.094 0.019 0.000 1.025 30 V CA -0.765 61.470 62.300 -0.108 0.000 0.859 30 V CB 2.417 34.038 31.823 -0.336 0.000 0.988 30 V HN 0.406 nan 8.190 nan 0.000 0.431 31 V N 3.888 123.885 119.914 0.138 0.000 2.333 31 V HA 0.396 4.351 4.120 -0.275 0.000 0.274 31 V C -0.305 175.986 176.094 0.328 0.000 1.028 31 V CA -0.224 62.209 62.300 0.221 0.000 0.851 31 V CB 1.475 33.462 31.823 0.273 0.000 1.000 31 V HN 0.908 nan 8.190 nan 0.000 0.456 32 D N 3.878 124.442 120.400 0.274 0.000 2.438 32 D HA 0.222 4.697 4.640 -0.275 0.000 0.257 32 D C -0.631 175.802 176.300 0.223 0.000 1.148 32 D CA -0.210 53.966 54.000 0.294 0.000 0.902 32 D CB 0.434 41.392 40.800 0.262 0.000 1.062 32 D HN 0.630 nan 8.370 nan 0.000 0.518 33 H N 2.672 121.811 119.070 0.115 0.000 2.621 33 H HA 0.381 4.768 4.556 -0.281 0.000 0.360 33 H C -1.960 173.403 175.328 0.059 0.000 1.163 33 H CA -1.849 54.251 56.048 0.087 0.000 1.194 33 H CB 2.324 32.150 29.762 0.108 0.000 1.649 33 H HN 0.058 nan 8.280 nan 0.000 0.532 34 P HA -0.112 nan 4.420 nan 0.000 0.219 34 P C 0.848 178.213 177.300 0.108 0.000 1.146 34 P CA 1.160 64.222 63.100 -0.064 0.000 0.808 34 P CB 0.456 32.052 31.700 -0.173 0.000 0.779 35 Q N -1.465 118.568 119.800 0.387 0.000 2.282 35 Q HA 0.244 4.419 4.340 -0.275 0.000 0.206 35 Q C 0.115 176.238 176.000 0.205 0.000 0.878 35 Q CA 0.098 56.067 55.803 0.277 0.000 0.944 35 Q CB 1.094 30.018 28.738 0.310 0.000 1.100 35 Q HN 0.130 nan 8.270 nan 0.000 0.509 36 V N 0.030 120.088 119.914 0.239 0.000 3.036 36 V HA 0.361 4.316 4.120 -0.275 0.000 0.288 36 V C -1.935 174.254 176.094 0.159 0.000 1.407 36 V CA -0.737 61.654 62.300 0.152 0.000 0.983 36 V CB 2.410 34.363 31.823 0.217 0.000 1.128 36 V HN -0.032 nan 8.190 nan 0.000 0.439 37 K N 3.993 124.435 120.400 0.069 0.000 2.292 37 K HA 0.931 5.086 4.320 -0.275 0.000 0.257 37 K C -0.657 176.092 176.600 0.247 0.000 0.940 37 K CA -0.144 56.203 56.287 0.101 0.000 0.811 37 K CB 2.081 34.380 32.500 -0.336 0.000 1.120 37 K HN 1.089 nan 8.250 nan 0.000 0.428 38 A N 1.193 124.284 122.820 0.451 0.000 2.609 38 A HA 0.768 4.923 4.320 -0.275 0.000 0.291 38 A C -1.342 176.348 177.584 0.175 0.000 1.096 38 A CA -0.735 51.480 52.037 0.296 0.000 0.684 38 A CB 1.672 20.800 19.000 0.215 0.000 1.282 38 A HN 0.668 nan 8.150 nan 0.000 0.412 39 S N -0.588 115.028 115.700 -0.140 0.000 2.570 39 S HA 0.908 5.213 4.470 -0.275 0.000 0.270 39 S C -1.201 173.135 174.600 -0.441 0.000 1.149 39 S CA -0.636 57.453 58.200 -0.185 0.000 0.837 39 S CB 1.114 64.167 63.200 -0.246 0.000 1.124 39 S HN 0.861 nan 8.310 nan 0.000 0.465 40 F N 0.037 119.906 119.950 -0.136 0.000 2.599 40 F HA 0.807 5.177 4.527 -0.262 0.000 0.311 40 F C 0.275 175.982 175.800 -0.155 0.000 1.076 40 F CA -0.777 57.095 58.000 -0.214 0.000 0.937 40 F CB 2.191 41.014 39.000 -0.295 0.000 1.282 40 F HN 0.981 nan 8.300 nan 0.000 0.460 41 A N 2.164 124.990 122.820 0.010 0.000 2.306 41 A HA 0.599 4.754 4.320 -0.275 0.000 0.314 41 A C 0.661 178.199 177.584 -0.076 0.000 1.164 41 A CA -0.524 51.509 52.037 -0.006 0.000 0.822 41 A CB 0.662 19.627 19.000 -0.060 0.000 1.130 41 A HN 0.965 nan 8.150 nan 0.000 0.496 42 L N 0.614 121.847 121.223 0.017 0.000 2.083 42 L HA -0.139 4.036 4.340 -0.275 0.000 0.209 42 L C 1.768 178.674 176.870 0.060 0.000 1.083 42 L CA 1.081 55.960 54.840 0.065 0.000 0.752 42 L CB -0.240 41.920 42.059 0.167 0.000 0.899 42 L HN 0.862 nan 8.230 nan 0.000 0.433 43 Q N 0.391 120.229 119.800 0.064 0.000 2.244 43 Q HA 0.139 4.314 4.340 -0.275 0.000 0.278 43 Q C 0.960 176.978 176.000 0.029 0.000 1.093 43 Q CA 0.705 56.571 55.803 0.105 0.000 0.916 43 Q CB 0.365 29.140 28.738 0.061 0.000 1.159 43 Q HN 0.393 nan 8.270 nan 0.000 0.384 44 G N 3.237 112.108 108.800 0.119 0.000 2.162 44 G HA2 -0.339 3.456 3.960 -0.275 0.000 0.260 44 G HA3 -0.339 3.456 3.960 -0.275 0.000 0.260 44 G C 0.508 174.909 174.900 -0.831 0.000 0.976 44 G CA 0.135 45.178 45.100 -0.094 0.000 0.655 44 G HN 1.765 nan 8.290 nan 0.000 0.533 45 A N -1.082 120.996 122.820 -1.237 0.000 2.409 45 A HA -0.203 3.952 4.320 -0.275 0.000 0.290 45 A C 0.385 177.508 177.584 -0.769 0.000 1.440 45 A CA 2.206 53.423 52.037 -1.367 0.000 0.775 45 A CB -1.918 15.976 19.000 -1.844 0.000 1.069 45 A HN 2.102 nan 8.150 nan 0.000 0.389 46 H N -0.556 118.195 119.070 -0.532 0.000 2.690 46 H HA 0.480 4.869 4.556 -0.279 0.000 0.289 46 H C 0.173 175.312 175.328 -0.316 0.000 1.089 46 H CA -0.876 54.975 56.048 -0.328 0.000 1.299 46 H CB 0.495 30.096 29.762 -0.269 0.000 1.405 46 H HN 0.576 nan 8.280 nan 0.000 0.463 47 L N 6.491 127.565 121.223 -0.249 0.000 2.500 47 L HA 0.026 4.201 4.340 -0.275 0.000 0.272 47 L C -0.155 176.601 176.870 -0.189 0.000 1.149 47 L CA 0.554 55.084 54.840 -0.517 0.000 0.897 47 L CB 0.040 41.834 42.059 -0.442 0.000 1.178 47 L HN 0.840 nan 8.230 nan 0.000 0.473 48 L N 3.345 124.423 121.223 -0.241 0.000 2.298 48 L HA 0.225 4.400 4.340 -0.275 0.000 0.209 48 L C 0.679 177.496 176.870 -0.090 0.000 1.084 48 L CA 0.587 55.360 54.840 -0.111 0.000 0.816 48 L CB -0.301 41.694 42.059 -0.107 0.000 0.967 48 L HN 0.832 nan 8.230 nan 0.000 0.460 49 S N -2.295 113.344 115.700 -0.102 0.000 2.565 49 S HA 0.492 4.797 4.470 -0.275 0.000 0.269 49 S C -2.078 172.591 174.600 0.115 0.000 1.153 49 S CA -0.745 57.471 58.200 0.026 0.000 0.835 49 S CB 2.100 65.348 63.200 0.079 0.000 1.122 49 S HN 0.179 nan 8.310 nan 0.000 0.462 50 W N 2.106 123.381 121.300 -0.042 0.000 3.615 50 W HA 0.678 5.326 4.660 -0.020 0.000 0.319 50 W C -1.969 174.550 176.519 0.001 0.000 1.172 50 W CA -0.616 56.717 57.345 -0.021 0.000 1.240 50 W CB 1.228 30.682 29.460 -0.009 0.000 1.313 50 W HN 0.981 nan 8.180 nan 0.000 0.487 51 K N 8.093 128.175 120.400 -0.529 0.000 2.690 51 K HA 0.426 4.581 4.320 -0.275 0.000 0.243 51 K C -2.724 173.526 176.600 -0.585 0.000 0.982 51 K CA -1.596 54.328 56.287 -0.607 0.000 0.955 51 K CB 1.953 34.249 32.500 -0.339 0.000 1.185 51 K HN 0.090 nan 8.250 nan 0.000 0.467 52 P HA -0.009 nan 4.420 nan 0.000 0.277 52 P C -0.144 177.032 177.300 -0.206 0.000 1.240 52 P CA -0.565 62.332 63.100 -0.338 0.000 0.798 52 P CB 1.055 32.594 31.700 -0.269 0.000 0.979 53 V N 2.218 122.083 119.914 -0.082 0.000 2.694 53 V HA 0.246 4.201 4.120 -0.275 0.000 0.306 53 V C 1.514 177.566 176.094 -0.070 0.000 1.054 53 V CA 2.143 64.405 62.300 -0.062 0.000 1.161 53 V CB -0.563 31.257 31.823 -0.005 0.000 0.916 53 V HN 1.026 nan 8.190 nan 0.000 0.490 54 G N 4.323 113.077 108.800 -0.076 0.000 2.176 54 G HA2 -0.158 3.637 3.960 -0.275 0.000 0.253 54 G HA3 -0.158 3.637 3.960 -0.275 0.000 0.253 54 G C 0.011 174.859 174.900 -0.086 0.000 0.979 54 G CA 0.314 45.374 45.100 -0.065 0.000 0.641 54 G HN 0.761 nan 8.290 nan 0.000 0.530 55 E N 0.581 120.703 120.200 -0.129 0.000 2.299 55 E HA 0.470 4.655 4.350 -0.275 0.000 0.265 55 E C 0.017 176.523 176.600 -0.158 0.000 0.911 55 E CA -0.766 55.544 56.400 -0.149 0.000 0.789 55 E CB 1.184 30.756 29.700 -0.214 0.000 1.246 55 E HN 0.433 nan 8.360 nan 0.000 0.427 56 E N 1.232 121.357 120.200 -0.125 0.000 2.392 56 E HA 0.062 4.247 4.350 -0.275 0.000 0.259 56 E C -0.017 176.498 176.600 -0.141 0.000 1.108 56 E CA -0.327 56.008 56.400 -0.109 0.000 0.916 56 E CB 0.635 30.300 29.700 -0.058 0.000 0.989 56 E HN 0.263 nan 8.360 nan 0.000 0.432 57 E N 1.041 121.171 120.200 -0.117 0.000 2.653 57 E HA -0.071 4.114 4.350 -0.275 0.000 0.264 57 E C 0.814 177.386 176.600 -0.046 0.000 0.949 57 E CA 0.216 56.551 56.400 -0.108 0.000 0.953 57 E CB 0.646 30.316 29.700 -0.050 0.000 0.925 57 E HN 0.245 nan 8.360 nan 0.000 0.475 58 V N 3.641 123.522 119.914 -0.055 0.000 2.685 58 V HA -0.017 3.938 4.120 -0.275 0.000 0.244 58 V C 1.131 177.404 176.094 0.297 0.000 1.054 58 V CA 0.722 63.089 62.300 0.113 0.000 1.076 58 V CB 0.007 31.886 31.823 0.093 0.000 0.725 58 V HN 0.422 nan 8.190 nan 0.000 0.467 59 L N -0.788 120.578 121.223 0.238 0.000 2.325 59 L HA 0.354 4.530 4.340 -0.275 0.000 0.279 59 L C -0.674 176.320 176.870 0.207 0.000 1.054 59 L CA -0.348 54.611 54.840 0.198 0.000 0.804 59 L CB 1.238 43.372 42.059 0.125 0.000 1.200 59 L HN 0.358 nan 8.230 nan 0.000 0.436 60 W N 4.285 125.612 121.300 0.045 0.000 2.376 60 W HA 0.584 5.073 4.660 -0.285 0.000 0.322 60 W C -1.333 175.122 176.519 -0.107 0.000 1.160 60 W CA -0.510 56.849 57.345 0.023 0.000 1.218 60 W CB 1.212 30.741 29.460 0.115 0.000 1.205 60 W HN 0.240 nan 8.180 nan 0.000 0.559 61 L N 5.489 126.268 121.223 -0.740 0.000 2.408 61 L HA 0.439 4.614 4.340 -0.275 0.000 0.268 61 L C -0.302 175.741 176.870 -1.379 0.000 0.986 61 L CA -0.460 53.904 54.840 -0.795 0.000 0.820 61 L CB 2.066 43.885 42.059 -0.399 0.000 1.303 61 L HN 0.355 nan 8.230 nan 0.000 0.411 62 S N 3.200 118.200 115.700 -1.167 0.000 2.488 62 S HA 0.092 4.397 4.470 -0.275 0.000 0.278 62 S C 1.064 175.437 174.600 -0.380 0.000 1.259 62 S CA 0.004 57.699 58.200 -0.842 0.000 1.061 62 S CB -0.091 62.937 63.200 -0.288 0.000 0.910 62 S HN 0.853 nan 8.310 nan 0.000 0.491 63 N N 3.879 122.422 118.700 -0.261 0.000 2.573 63 N HA -0.052 4.524 4.740 -0.275 0.000 0.187 63 N C 0.105 175.616 175.510 0.002 0.000 1.107 63 N CA 0.513 53.520 53.050 -0.072 0.000 0.918 63 N CB -0.061 38.423 38.487 -0.004 0.000 0.966 63 N HN 0.544 nan 8.380 nan 0.000 0.448 64 N N -0.463 118.237 118.700 0.001 0.000 2.204 64 N HA 0.011 4.586 4.740 -0.275 0.000 0.219 64 N C -0.602 174.921 175.510 0.022 0.000 1.151 64 N CA 0.040 53.112 53.050 0.037 0.000 0.867 64 N CB 0.865 39.393 38.487 0.068 0.000 1.043 64 N HN -0.021 nan 8.380 nan 0.000 0.516 65 T N 2.054 116.595 114.554 -0.021 0.000 2.901 65 T HA 0.240 4.425 4.350 -0.275 0.000 0.301 65 T C -2.450 172.233 174.700 -0.028 0.000 1.012 65 T CA -1.317 60.732 62.100 -0.086 0.000 1.135 65 T CB 0.535 69.246 68.868 -0.262 0.000 0.936 65 T HN -0.042 nan 8.240 nan 0.000 0.539 66 P HA 0.213 nan 4.420 nan 0.000 0.269 66 P C -0.897 176.328 177.300 -0.126 0.000 1.215 66 P CA -0.029 63.067 63.100 -0.006 0.000 0.780 66 P CB 0.235 31.917 31.700 -0.030 0.000 0.898 67 F N 1.871 121.776 119.950 -0.074 0.000 2.371 67 F HA 0.319 4.678 4.527 -0.280 0.000 0.343 67 F C 0.637 176.407 175.800 -0.050 0.000 1.150 67 F CA -0.430 57.522 58.000 -0.080 0.000 1.220 67 F CB 0.676 39.623 39.000 -0.088 0.000 1.475 67 F HN -0.139 nan 8.300 nan 0.000 0.521 68 K N 0.882 121.293 120.400 0.018 0.000 2.422 68 K HA 0.365 4.520 4.320 -0.275 0.000 0.251 68 K C -0.279 176.326 176.600 0.009 0.000 0.933 68 K CA -0.739 55.564 56.287 0.025 0.000 0.798 68 K CB 1.977 34.485 32.500 0.013 0.000 1.238 68 K HN 0.097 nan 8.250 nan 0.000 0.428 69 T N 1.113 115.684 114.554 0.030 0.000 2.778 69 T HA 0.128 4.313 4.350 -0.275 0.000 0.282 69 T C 1.245 175.965 174.700 0.033 0.000 0.983 69 T CA 1.708 63.831 62.100 0.037 0.000 1.193 69 T CB -0.157 68.739 68.868 0.045 0.000 0.938 69 T HN 0.832 nan 8.240 nan 0.000 0.523 70 G N 2.480 111.305 108.800 0.041 0.000 2.205 70 G HA2 -0.244 3.552 3.960 -0.275 0.000 0.261 70 G HA3 -0.244 3.552 3.960 -0.275 0.000 0.261 70 G C 0.204 175.118 174.900 0.022 0.000 0.980 70 G CA -0.054 45.074 45.100 0.047 0.000 0.632 70 G HN 0.774 nan 8.290 nan 0.000 0.533 71 V N 1.640 121.549 119.914 -0.009 0.000 2.407 71 V HA 0.717 4.672 4.120 -0.275 0.000 0.278 71 V C 1.013 177.064 176.094 -0.071 0.000 1.037 71 V CA -0.328 61.952 62.300 -0.033 0.000 0.900 71 V CB 1.349 33.147 31.823 -0.043 0.000 0.983 71 V HN 1.108 nan 8.190 nan 0.000 0.459 72 A N 6.040 128.828 122.820 -0.054 0.000 2.520 72 A HA 0.449 4.604 4.320 -0.275 0.000 0.245 72 A C -0.170 177.312 177.584 -0.170 0.000 1.072 72 A CA -0.081 51.914 52.037 -0.070 0.000 0.761 72 A CB -0.163 18.826 19.000 -0.018 0.000 1.004 72 A HN 0.799 nan 8.150 nan 0.000 0.499 73 L N 2.001 123.049 121.223 -0.291 0.000 2.349 73 L HA 0.382 4.557 4.340 -0.275 0.000 0.275 73 L C 0.836 177.474 176.870 -0.388 0.000 1.115 73 L CA -0.315 54.207 54.840 -0.528 0.000 0.820 73 L CB 0.700 42.167 42.059 -0.987 0.000 1.135 73 L HN 0.763 nan 8.230 nan 0.000 0.445 74 R N 2.505 122.784 120.500 -0.368 0.000 2.198 74 R HA 0.675 4.850 4.340 -0.275 0.000 0.339 74 R C -0.175 175.822 176.300 -0.505 0.000 1.020 74 R CA 0.482 56.398 56.100 -0.307 0.000 0.864 74 R CB 0.555 30.781 30.300 -0.124 0.000 1.105 74 R HN 0.790 nan 8.270 nan 0.000 0.463 75 G N 1.537 109.797 108.800 -0.900 0.000 2.384 75 G HA2 0.361 4.156 3.960 -0.275 0.000 0.668 75 G HA3 0.361 4.156 3.960 -0.275 0.000 0.668 75 G C 0.231 174.925 174.900 -0.343 0.000 1.280 75 G CA -0.411 44.126 45.100 -0.937 0.000 0.992 75 G HN 1.275 nan 8.290 nan 0.000 0.512 76 G N -2.034 106.708 108.800 -0.097 0.000 2.550 76 G HA2 0.134 3.929 3.960 -0.275 0.000 0.277 76 G HA3 0.134 3.929 3.960 -0.275 0.000 0.277 76 G C 0.246 175.202 174.900 0.094 0.000 1.190 76 G CA 0.967 46.098 45.100 0.052 0.000 0.971 76 G HN 2.087 nan 8.290 nan 0.000 0.559 77 V N 2.565 122.430 119.914 -0.082 0.000 2.315 77 V HA 0.422 4.377 4.120 -0.275 0.000 0.265 77 V C -2.142 173.654 176.094 -0.496 0.000 1.019 77 V CA -0.778 61.433 62.300 -0.147 0.000 0.824 77 V CB 1.389 33.169 31.823 -0.072 0.000 1.072 77 V HN 0.536 nan 8.190 nan 0.000 0.448 78 P HA 0.164 nan 4.420 nan 0.000 0.264 78 P C -0.128 177.033 177.300 -0.232 0.000 1.193 78 P CA 0.368 63.184 63.100 -0.473 0.000 0.763 78 P CB 0.595 32.202 31.700 -0.155 0.000 0.810 79 I N 4.029 124.470 120.570 -0.215 0.000 2.312 79 I HA 0.125 4.131 4.170 -0.275 0.000 0.291 79 I C -0.058 176.058 176.117 -0.002 0.000 1.031 79 I CA -0.218 61.039 61.300 -0.071 0.000 1.293 79 I CB 0.284 38.243 38.000 -0.068 0.000 1.403 79 I HN 0.238 nan 8.210 nan 0.000 0.484 80 C N 6.190 125.511 119.300 0.036 0.000 2.223 80 C HA 0.493 4.788 4.460 -0.275 0.000 0.324 80 C C -0.525 174.482 174.990 0.029 0.000 1.196 80 C CA -0.725 58.307 59.018 0.023 0.000 1.628 80 C CB -1.105 26.718 27.740 0.138 0.000 2.229 80 C HN 0.828 nan 8.230 nan 0.000 0.486 81 W N 6.293 127.333 121.300 -0.434 0.000 3.571 81 W HA 0.430 4.925 4.660 -0.275 0.000 0.294 81 W C -2.461 173.357 176.519 -1.168 0.000 1.257 81 W CA -1.320 55.664 57.345 -0.602 0.000 1.206 81 W CB 1.773 30.971 29.460 -0.436 0.000 1.325 81 W HN 0.374 nan 8.180 nan 0.000 0.546 82 P HA 0.169 nan 4.420 nan 0.000 0.254 82 P C -1.060 175.731 177.300 -0.848 0.000 1.494 82 P CA 0.505 62.300 63.100 -2.175 0.000 0.961 82 P CB -0.247 29.652 31.700 -3.003 0.000 1.493 83 W N -0.964 119.998 121.300 -0.564 0.000 3.033 83 W HA 0.671 5.167 4.660 -0.273 0.000 0.336 83 W C -2.014 174.506 176.519 0.001 0.000 1.173 83 W CA -1.646 55.565 57.345 -0.223 0.000 1.185 83 W CB 0.413 29.765 29.460 -0.180 0.000 1.425 83 W HN -0.231 nan 8.180 nan 0.000 0.536 84 F N 3.322 123.380 119.950 0.180 0.000 2.421 84 F HA 0.742 5.103 4.527 -0.276 0.000 0.337 84 F C 0.713 176.680 175.800 0.278 0.000 1.105 84 F CA 0.466 58.605 58.000 0.233 0.000 1.049 84 F CB 1.147 40.251 39.000 0.174 0.000 1.139 84 F HN 1.260 nan 8.300 nan 0.000 0.479 85 G N 5.002 113.413 108.800 -0.649 0.000 2.632 85 G HA2 -0.174 3.621 3.960 -0.275 0.000 0.224 85 G HA3 -0.174 3.621 3.960 -0.275 0.000 0.224 85 G C -3.016 171.672 174.900 -0.353 0.000 1.341 85 G CA -0.916 43.711 45.100 -0.788 0.000 0.880 85 G HN 0.618 nan 8.290 nan 0.000 0.566 86 P HA 0.447 nan 4.420 nan 0.000 0.265 86 P C 0.399 177.623 177.300 -0.126 0.000 1.193 86 P CA 0.809 63.816 63.100 -0.155 0.000 0.765 86 P CB 0.625 32.239 31.700 -0.143 0.000 0.823 87 A N 3.556 126.292 122.820 -0.139 0.000 2.498 87 A HA 0.337 4.493 4.320 -0.275 0.000 0.239 87 A C 1.670 178.999 177.584 -0.425 0.000 1.068 87 A CA 0.470 52.186 52.037 -0.535 0.000 0.766 87 A CB -0.307 18.452 19.000 -0.402 0.000 1.003 87 A HN 0.606 nan 8.150 nan 0.000 0.497 88 A N 1.818 124.322 122.820 -0.527 0.000 1.930 88 A HA -0.036 4.119 4.320 -0.275 0.000 0.217 88 A C 1.184 178.624 177.584 -0.241 0.000 1.175 88 A CA 1.291 53.148 52.037 -0.302 0.000 0.627 88 A CB -0.370 18.470 19.000 -0.267 0.000 0.815 88 A HN 0.872 nan 8.150 nan 0.000 0.443 89 Q N 0.027 119.649 119.800 -0.298 0.000 2.261 89 Q HA 0.327 4.502 4.340 -0.275 0.000 0.252 89 Q C -0.169 175.755 176.000 -0.128 0.000 0.915 89 Q CA -0.424 55.275 55.803 -0.174 0.000 0.915 89 Q CB 0.936 29.585 28.738 -0.149 0.000 1.204 89 Q HN 0.552 nan 8.270 nan 0.000 0.421 90 Q N 0.685 120.438 119.800 -0.078 0.000 2.283 90 Q HA 0.031 4.206 4.340 -0.275 0.000 0.301 90 Q C 0.619 176.595 176.000 -0.041 0.000 1.063 90 Q CA 1.305 57.075 55.803 -0.054 0.000 0.952 90 Q CB 0.053 28.770 28.738 -0.035 0.000 1.166 90 Q HN 0.947 nan 8.270 nan 0.000 0.381 91 G N 3.088 111.867 108.800 -0.034 0.000 2.225 91 G HA2 -0.239 3.556 3.960 -0.275 0.000 0.254 91 G HA3 -0.239 3.556 3.960 -0.275 0.000 0.254 91 G C 0.002 174.896 174.900 -0.010 0.000 0.988 91 G CA 0.048 45.137 45.100 -0.018 0.000 0.625 91 G HN 0.513 nan 8.290 nan 0.000 0.527 92 L N 2.264 123.478 121.223 -0.016 0.000 2.436 92 L HA 0.394 4.569 4.340 -0.275 0.000 0.265 92 L C -0.957 175.977 176.870 0.106 0.000 1.168 92 L CA -1.040 53.829 54.840 0.050 0.000 0.815 92 L CB 0.033 42.103 42.059 0.019 0.000 1.109 92 L HN 0.123 nan 8.230 nan 0.000 0.462 93 P HA 0.172 nan 4.420 nan 0.000 0.276 93 P C -0.293 177.139 177.300 0.220 0.000 1.261 93 P CA -0.540 62.640 63.100 0.133 0.000 0.800 93 P CB 0.693 32.442 31.700 0.082 0.000 1.066 94 S N 0.350 116.065 115.700 0.025 0.000 2.566 94 S HA 0.013 4.318 4.470 -0.275 0.000 0.280 94 S C 0.327 174.812 174.600 -0.192 0.000 1.343 94 S CA 0.266 58.364 58.200 -0.169 0.000 1.036 94 S CB -0.685 62.201 63.200 -0.525 0.000 0.866 94 S HN 0.615 nan 8.310 nan 0.000 0.526 95 H N -0.382 118.599 119.070 -0.148 0.000 2.862 95 H HA -0.182 4.211 4.556 -0.273 0.000 0.290 95 H C 0.926 175.808 175.328 -0.743 0.000 1.211 95 H CA 1.121 56.956 56.048 -0.356 0.000 1.140 95 H CB -1.997 27.672 29.762 -0.156 0.000 1.341 95 H HN 1.237 nan 8.280 nan 0.000 0.392 96 G N 0.013 107.834 108.800 -1.631 0.000 2.553 96 G HA2 -0.198 3.598 3.960 -0.275 0.000 0.242 96 G HA3 -0.198 3.598 3.960 -0.275 0.000 0.242 96 G C 0.536 174.810 174.900 -1.044 0.000 1.277 96 G CA 0.838 44.603 45.100 -2.224 0.000 0.910 96 G HN 0.702 nan 8.290 nan 0.000 0.576 97 F N -2.434 117.119 119.950 -0.661 0.000 2.871 97 F HA 0.710 5.072 4.527 -0.274 0.000 0.344 97 F C 2.102 177.890 175.800 -0.019 0.000 1.078 97 F CA 0.887 58.749 58.000 -0.229 0.000 1.149 97 F CB -0.260 38.681 39.000 -0.098 0.000 1.087 97 F HN 0.906 nan 8.300 nan 0.000 0.557 98 A N 2.529 125.251 122.820 -0.163 0.000 2.019 98 A HA -0.163 3.992 4.320 -0.275 0.000 0.219 98 A C 2.337 180.158 177.584 0.395 0.000 1.164 98 A CA 1.714 53.869 52.037 0.196 0.000 0.644 98 A CB -0.790 18.305 19.000 0.157 0.000 0.805 98 A HN 0.599 nan 8.150 nan 0.000 0.449 99 R N -0.652 119.963 120.500 0.193 0.000 2.276 99 R HA 0.044 4.219 4.340 -0.275 0.000 0.203 99 R C 0.617 177.022 176.300 0.174 0.000 1.017 99 R CA 1.493 57.693 56.100 0.167 0.000 1.010 99 R CB -0.514 29.831 30.300 0.075 0.000 0.900 99 R HN 0.499 nan 8.270 nan 0.000 0.469 100 N N 0.068 118.886 118.700 0.197 0.000 2.254 100 N HA 0.201 4.776 4.740 -0.275 0.000 0.190 100 N C -0.413 175.221 175.510 0.207 0.000 1.107 100 N CA 0.070 53.217 53.050 0.162 0.000 0.869 100 N CB 0.528 39.096 38.487 0.136 0.000 0.983 100 N HN 0.059 nan 8.380 nan 0.000 0.487 101 L N 1.096 122.501 121.223 0.303 0.000 2.330 101 L HA 0.544 4.719 4.340 -0.275 0.000 0.271 101 L C -2.342 174.749 176.870 0.368 0.000 1.013 101 L CA -2.381 52.636 54.840 0.295 0.000 0.816 101 L CB 1.661 43.900 42.059 0.301 0.000 1.287 101 L HN -0.173 nan 8.230 nan 0.000 0.435 102 P HA 0.063 nan 4.420 nan 0.000 0.276 102 P C -1.465 176.063 177.300 0.380 0.000 1.243 102 P CA -0.235 63.048 63.100 0.306 0.000 0.768 102 P CB 0.344 32.158 31.700 0.191 0.000 0.856 103 W N 2.503 123.878 121.300 0.125 0.000 2.448 103 W HA 0.611 5.111 4.660 -0.267 0.000 0.339 103 W C 0.236 176.880 176.519 0.208 0.000 1.124 103 W CA -0.601 56.846 57.345 0.170 0.000 1.262 103 W CB 0.712 30.288 29.460 0.193 0.000 1.251 103 W HN 0.348 nan 8.180 nan 0.000 0.597 104 A N 2.469 125.543 122.820 0.423 0.000 2.310 104 A HA 0.604 4.759 4.320 -0.275 0.000 0.299 104 A C -1.123 176.633 177.584 0.287 0.000 1.147 104 A CA -0.746 51.455 52.037 0.273 0.000 0.818 104 A CB 0.556 19.644 19.000 0.146 0.000 1.096 104 A HN 0.672 nan 8.150 nan 0.000 0.495 105 L N 2.194 123.489 121.223 0.120 0.000 2.295 105 L HA 0.316 4.491 4.340 -0.275 0.000 0.288 105 L C 1.105 177.913 176.870 -0.103 0.000 1.079 105 L CA 0.402 55.122 54.840 -0.200 0.000 0.830 105 L CB 0.150 42.033 42.059 -0.294 0.000 1.200 105 L HN 0.882 nan 8.230 nan 0.000 0.438 106 K N 3.839 124.179 120.400 -0.099 0.000 2.166 106 K HA 0.369 4.524 4.320 -0.275 0.000 0.201 106 K C 0.195 176.755 176.600 -0.066 0.000 1.052 106 K CA 0.816 57.078 56.287 -0.041 0.000 0.969 106 K CB 0.305 32.800 32.500 -0.008 0.000 0.761 106 K HN 0.747 nan 8.250 nan 0.000 0.459 107 A N 0.335 123.096 122.820 -0.098 0.000 2.610 107 A HA 0.575 4.730 4.320 -0.275 0.000 0.291 107 A C -1.742 175.794 177.584 -0.079 0.000 1.086 107 A CA -0.886 51.076 52.037 -0.125 0.000 0.677 107 A CB 0.965 19.900 19.000 -0.108 0.000 1.278 107 A HN 0.569 nan 8.150 nan 0.000 0.414 108 H N -1.235 117.767 119.070 -0.113 0.000 3.024 108 H HA 0.696 5.087 4.556 -0.274 0.000 0.324 108 H C -1.026 174.272 175.328 -0.051 0.000 1.347 108 H CA -0.424 55.563 56.048 -0.102 0.000 1.182 108 H CB 0.720 30.400 29.762 -0.136 0.000 1.889 108 H HN 0.977 nan 8.280 nan 0.000 0.528 109 N N -0.567 118.170 118.700 0.062 0.000 2.732 109 N HA 0.537 5.112 4.740 -0.275 0.000 0.259 109 N C -1.647 173.921 175.510 0.098 0.000 1.402 109 N CA -1.012 52.068 53.050 0.050 0.000 0.829 109 N CB 2.949 41.434 38.487 -0.003 0.000 1.495 109 N HN 0.956 nan 8.380 nan 0.000 0.511 110 E N -0.966 119.292 120.200 0.096 0.000 2.412 110 E HA 0.555 4.740 4.350 -0.275 0.000 0.279 110 E C -1.798 174.868 176.600 0.111 0.000 0.984 110 E CA -0.856 55.611 56.400 0.112 0.000 0.788 110 E CB 1.991 31.786 29.700 0.159 0.000 1.277 110 E HN 0.745 nan 8.360 nan 0.000 0.455 111 D N 0.028 120.511 120.400 0.139 0.000 2.921 111 D HA 0.179 4.654 4.640 -0.275 0.000 0.329 111 D C -0.131 176.310 176.300 0.234 0.000 1.293 111 D CA -0.524 53.558 54.000 0.137 0.000 0.964 111 D CB 0.004 40.856 40.800 0.087 0.000 1.435 111 D HN 0.249 nan 8.370 nan 0.000 0.548 112 D N -1.017 119.487 120.400 0.174 0.000 2.350 112 D HA -0.037 4.438 4.640 -0.275 0.000 0.216 112 D C 0.741 177.215 176.300 0.291 0.000 0.968 112 D CA 0.674 54.792 54.000 0.196 0.000 0.894 112 D CB -0.038 40.822 40.800 0.100 0.000 0.909 112 D HN 0.263 nan 8.370 nan 0.000 0.520 113 N N -0.437 118.384 118.700 0.202 0.000 2.415 113 N HA 0.138 4.714 4.740 -0.275 0.000 0.174 113 N C 1.198 176.698 175.510 -0.017 0.000 1.048 113 N CA 0.776 53.906 53.050 0.133 0.000 0.895 113 N CB 1.446 39.980 38.487 0.079 0.000 1.036 113 N HN 0.223 nan 8.380 nan 0.000 0.449 114 G N -0.653 108.038 108.800 -0.182 0.000 2.399 114 G HA2 0.331 4.127 3.960 -0.275 0.000 0.256 114 G HA3 0.331 4.127 3.960 -0.275 0.000 0.256 114 G C -1.991 172.770 174.900 -0.231 0.000 1.236 114 G CA -0.431 44.380 45.100 -0.482 0.000 0.914 114 G HN -0.086 nan 8.290 nan 0.000 0.482 115 V N 0.583 120.442 119.914 -0.091 0.000 2.841 115 V HA 0.735 4.690 4.120 -0.275 0.000 0.310 115 V C -0.233 175.901 176.094 0.066 0.000 1.090 115 V CA -0.481 61.831 62.300 0.021 0.000 0.930 115 V CB 1.859 33.718 31.823 0.059 0.000 1.014 115 V HN 0.748 nan 8.190 nan 0.000 0.425 116 M N 4.611 124.255 119.600 0.074 0.000 2.436 116 M HA 0.753 5.069 4.480 -0.275 0.000 0.331 116 M C -1.616 174.727 176.300 0.071 0.000 1.135 116 M CA -0.546 54.803 55.300 0.083 0.000 0.987 116 M CB 1.973 34.606 32.600 0.054 0.000 1.687 116 M HN 0.382 nan 8.290 nan 0.000 0.445 117 L N 1.286 122.555 121.223 0.077 0.000 2.445 117 L HA 0.655 4.830 4.340 -0.275 0.000 0.262 117 L C -0.637 176.226 176.870 -0.012 0.000 0.974 117 L CA -0.360 54.438 54.840 -0.070 0.000 0.822 117 L CB 2.561 44.430 42.059 -0.316 0.000 1.339 117 L HN 0.576 nan 8.230 nan 0.000 0.409 118 T N 1.760 116.216 114.554 -0.163 0.000 2.809 118 T HA 0.688 4.873 4.350 -0.275 0.000 0.284 118 T C -0.882 173.721 174.700 -0.162 0.000 0.992 118 T CA -0.283 61.799 62.100 -0.030 0.000 0.957 118 T CB 0.541 69.406 68.868 -0.004 0.000 0.942 118 T HN 0.097 nan 8.240 nan 0.000 0.439 119 F N 1.649 121.714 119.950 0.191 0.000 2.470 119 F HA 0.617 4.977 4.527 -0.278 0.000 0.329 119 F C 0.668 176.739 175.800 0.451 0.000 1.072 119 F CA -0.982 57.191 58.000 0.288 0.000 0.989 119 F CB 1.598 40.751 39.000 0.256 0.000 1.193 119 F HN 0.444 nan 8.300 nan 0.000 0.481 120 E N 2.184 122.742 120.200 0.597 0.000 2.272 120 E HA 0.595 4.780 4.350 -0.275 0.000 0.269 120 E C -2.102 174.521 176.600 0.039 0.000 0.877 120 E CA -0.936 55.640 56.400 0.294 0.000 0.755 120 E CB 2.383 32.157 29.700 0.123 0.000 1.192 120 E HN 0.583 nan 8.360 nan 0.000 0.422 121 L N 3.035 123.997 121.223 -0.434 0.000 2.365 121 L HA 0.456 4.631 4.340 -0.275 0.000 0.273 121 L C -1.300 175.407 176.870 -0.271 0.000 1.000 121 L CA -0.124 54.352 54.840 -0.605 0.000 0.819 121 L CB 1.772 42.982 42.059 -1.415 0.000 1.284 121 L HN 0.611 nan 8.230 nan 0.000 0.418 122 Q N 1.768 121.402 119.800 -0.277 0.000 2.413 122 Q HA 0.565 4.740 4.340 -0.275 0.000 0.276 122 Q C -0.591 174.951 176.000 -0.763 0.000 1.099 122 Q CA -0.942 54.563 55.803 -0.496 0.000 0.814 122 Q CB 2.154 30.720 28.738 -0.287 0.000 1.379 122 Q HN 0.804 nan 8.270 nan 0.000 0.436 123 S N 0.501 115.442 115.700 -1.266 0.000 2.576 123 S HA 0.423 4.728 4.470 -0.275 0.000 0.272 123 S C 0.104 174.528 174.600 -0.295 0.000 1.352 123 S CA -0.327 57.417 58.200 -0.759 0.000 1.021 123 S CB 0.752 63.657 63.200 -0.492 0.000 0.887 123 S HN 0.683 nan 8.310 nan 0.000 0.542 124 S N -0.440 115.169 115.700 -0.151 0.000 2.705 124 S HA 0.402 4.707 4.470 -0.275 0.000 0.280 124 S C 0.560 175.109 174.600 -0.085 0.000 1.174 124 S CA -0.481 57.660 58.200 -0.099 0.000 0.823 124 S CB 1.122 64.281 63.200 -0.068 0.000 1.162 124 S HN 0.833 nan 8.310 nan 0.000 0.487 125 E N 0.524 120.684 120.200 -0.067 0.000 2.118 125 E HA -0.158 4.027 4.350 -0.275 0.000 0.195 125 E C 2.030 178.575 176.600 -0.091 0.000 0.992 125 E CA 1.499 57.860 56.400 -0.066 0.000 0.804 125 E CB -0.565 29.109 29.700 -0.043 0.000 0.741 125 E HN 0.727 nan 8.360 nan 0.000 0.458 126 A N 0.615 123.387 122.820 -0.078 0.000 1.883 126 A HA -0.238 3.917 4.320 -0.275 0.000 0.217 126 A C 2.499 179.889 177.584 -0.323 0.000 1.186 126 A CA 2.657 54.638 52.037 -0.094 0.000 0.624 126 A CB -1.362 17.635 19.000 -0.004 0.000 0.822 126 A HN 0.564 nan 8.150 nan 0.000 0.444 127 T N -2.232 112.114 114.554 -0.346 0.000 2.821 127 T HA -0.120 4.066 4.350 -0.275 0.000 0.267 127 T C 1.871 176.189 174.700 -0.636 0.000 1.046 127 T CA 1.185 62.859 62.100 -0.709 0.000 1.139 127 T CB -0.427 68.365 68.868 -0.128 0.000 0.871 127 T HN 0.505 nan 8.240 nan 0.000 0.454 128 R N 0.948 121.297 120.500 -0.252 0.000 2.241 128 R HA 0.052 4.227 4.340 -0.275 0.000 0.224 128 R C 2.586 178.776 176.300 -0.183 0.000 1.101 128 R CA 0.964 56.977 56.100 -0.146 0.000 0.995 128 R CB -0.237 30.012 30.300 -0.085 0.000 0.870 128 R HN 0.477 nan 8.270 nan 0.000 0.463 129 K N 0.593 120.839 120.400 -0.257 0.000 2.057 129 K HA -0.176 3.979 4.320 -0.275 0.000 0.206 129 K C 1.368 177.947 176.600 -0.035 0.000 1.050 129 K CA 1.554 57.767 56.287 -0.124 0.000 0.935 129 K CB 0.079 32.540 32.500 -0.065 0.000 0.715 129 K HN 0.308 nan 8.250 nan 0.000 0.439 130 Y N -4.283 116.048 120.300 0.052 0.000 2.444 130 Y HA 0.260 4.645 4.550 -0.275 0.000 0.249 130 Y C -0.209 175.843 175.900 0.253 0.000 1.134 130 Y CA -1.185 56.975 58.100 0.101 0.000 1.261 130 Y CB -0.064 38.438 38.460 0.070 0.000 1.143 130 Y HN 0.036 nan 8.280 nan 0.000 0.523 131 W N 4.640 125.918 121.300 -0.037 0.000 2.534 131 W HA 0.480 4.976 4.660 -0.273 0.000 0.292 131 W C -2.978 173.598 176.519 0.095 0.000 1.027 131 W CA -2.796 54.662 57.345 0.188 0.000 1.304 131 W CB 1.674 31.398 29.460 0.441 0.000 1.187 131 W HN -0.214 nan 8.180 nan 0.000 0.356 132 P HA 0.064 nan 4.420 nan 0.000 0.226 132 P C -0.737 176.109 177.300 -0.757 0.000 1.783 132 P CA 0.834 63.689 63.100 -0.408 0.000 0.980 132 P CB -0.116 31.371 31.700 -0.356 0.000 1.967 133 H N -0.122 118.821 119.070 -0.210 0.000 2.856 133 H HA 0.277 4.668 4.556 -0.275 0.000 0.355 133 H C -0.273 175.199 175.328 0.241 0.000 1.079 133 H CA -0.585 55.390 56.048 -0.122 0.000 1.240 133 H CB 1.984 31.409 29.762 -0.561 0.000 1.701 133 H HN 0.160 nan 8.280 nan 0.000 0.527 134 D N 2.682 123.289 120.400 0.346 0.000 2.339 134 D HA 0.276 4.751 4.640 -0.275 0.000 0.245 134 D C 0.020 176.700 176.300 0.634 0.000 1.115 134 D CA 0.403 54.601 54.000 0.330 0.000 0.917 134 D CB 1.264 42.149 40.800 0.141 0.000 1.192 134 D HN 0.365 nan 8.370 nan 0.000 0.428 135 F N -2.124 118.091 119.950 0.441 0.000 2.693 135 F HA 0.469 4.831 4.527 -0.275 0.000 0.309 135 F C -1.331 174.619 175.800 0.250 0.000 1.129 135 F CA -0.877 57.443 58.000 0.534 0.000 0.948 135 F CB 1.421 40.879 39.000 0.763 0.000 1.315 135 F HN -0.031 nan 8.300 nan 0.000 0.447 136 T N 3.546 118.332 114.554 0.386 0.000 2.881 136 T HA 0.534 4.719 4.350 -0.275 0.000 0.291 136 T C -1.199 173.642 174.700 0.235 0.000 0.990 136 T CA -0.443 61.754 62.100 0.162 0.000 0.976 136 T CB 1.387 70.266 68.868 0.017 0.000 0.970 136 T HN 0.713 nan 8.240 nan 0.000 0.438 137 L N 4.230 125.482 121.223 0.047 0.000 2.322 137 L HA 0.635 4.810 4.340 -0.275 0.000 0.281 137 L C -1.119 175.733 176.870 -0.030 0.000 1.014 137 L CA -0.960 53.774 54.840 -0.178 0.000 0.815 137 L CB 1.291 42.947 42.059 -0.672 0.000 1.247 137 L HN 0.490 nan 8.230 nan 0.000 0.421 138 L N 3.875 125.184 121.223 0.143 0.000 2.346 138 L HA 0.700 4.875 4.340 -0.275 0.000 0.276 138 L C -0.223 176.830 176.870 0.306 0.000 1.006 138 L CA -0.401 54.601 54.840 0.269 0.000 0.817 138 L CB 1.954 44.124 42.059 0.185 0.000 1.272 138 L HN 0.619 nan 8.230 nan 0.000 0.421 139 A N 3.776 126.835 122.820 0.400 0.000 2.311 139 A HA 0.730 4.885 4.320 -0.275 0.000 0.306 139 A C -0.623 176.982 177.584 0.036 0.000 1.189 139 A CA -0.619 51.465 52.037 0.078 0.000 0.791 139 A CB 0.632 19.600 19.000 -0.053 0.000 1.172 139 A HN 0.746 nan 8.150 nan 0.000 0.481 140 R N 1.669 122.056 120.500 -0.188 0.000 2.387 140 R HA 0.617 4.792 4.340 -0.275 0.000 0.314 140 R C -1.624 174.491 176.300 -0.308 0.000 0.958 140 R CA -0.177 55.871 56.100 -0.086 0.000 0.846 140 R CB 1.428 31.709 30.300 -0.032 0.000 1.147 140 R HN 0.604 nan 8.270 nan 0.000 0.447 141 F N 1.271 121.278 119.950 0.096 0.000 2.522 141 F HA 0.454 4.815 4.527 -0.276 0.000 0.324 141 F C 0.313 176.148 175.800 0.059 0.000 1.077 141 F CA -0.863 57.202 58.000 0.108 0.000 0.944 141 F CB 1.906 41.066 39.000 0.267 0.000 1.175 141 F HN 0.078 nan 8.300 nan 0.000 0.468 142 K N 2.816 123.329 120.400 0.188 0.000 2.535 142 K HA 0.583 4.738 4.320 -0.275 0.000 0.253 142 K C -1.478 175.143 176.600 0.036 0.000 0.953 142 K CA -0.772 55.570 56.287 0.092 0.000 0.863 142 K CB 2.271 34.785 32.500 0.025 0.000 1.111 142 K HN 0.481 nan 8.250 nan 0.000 0.431 143 V N -0.416 119.539 119.914 0.068 0.000 2.409 143 V HA 0.931 4.886 4.120 -0.275 0.000 0.291 143 V C 0.117 176.268 176.094 0.094 0.000 1.020 143 V CA -0.235 62.077 62.300 0.020 0.000 0.848 143 V CB 1.052 32.953 31.823 0.131 0.000 0.990 143 V HN 0.910 nan 8.190 nan 0.000 0.430 144 G N 3.842 112.760 108.800 0.196 0.000 2.696 144 G HA2 0.238 4.034 3.960 -0.275 0.000 0.151 144 G HA3 0.238 4.034 3.960 -0.275 0.000 0.151 144 G C 0.246 175.380 174.900 0.392 0.000 1.197 144 G CA 0.056 45.282 45.100 0.209 0.000 1.053 144 G HN 0.769 nan 8.290 nan 0.000 0.546 145 K N -0.048 120.506 120.400 0.257 0.000 2.152 145 K HA 0.010 4.165 4.320 -0.275 0.000 0.206 145 K C 1.204 178.072 176.600 0.448 0.000 1.048 145 K CA 2.036 58.490 56.287 0.279 0.000 0.933 145 K CB -0.344 32.251 32.500 0.157 0.000 0.721 145 K HN 0.623 nan 8.250 nan 0.000 0.447 146 T N -3.278 111.462 114.554 0.309 0.000 2.883 146 T HA 0.424 4.609 4.350 -0.275 0.000 0.284 146 T C -0.852 173.674 174.700 -0.291 0.000 1.041 146 T CA -1.100 61.106 62.100 0.177 0.000 1.007 146 T CB 1.714 70.613 68.868 0.051 0.000 1.220 146 T HN 0.152 nan 8.240 nan 0.000 0.552 147 C N 1.137 120.012 119.300 -0.708 0.000 2.431 147 C HA 0.680 4.975 4.460 -0.275 0.000 0.321 147 C C -0.821 173.949 174.990 -0.366 0.000 1.202 147 C CA -0.299 58.207 59.018 -0.853 0.000 1.398 147 C CB -0.173 26.550 27.740 -1.694 0.000 2.047 147 C HN 0.971 nan 8.230 nan 0.000 0.465 148 E N 4.722 124.810 120.200 -0.186 0.000 2.212 148 E HA 0.670 4.855 4.350 -0.275 0.000 0.268 148 E C -1.141 175.410 176.600 -0.082 0.000 0.902 148 E CA -0.486 55.854 56.400 -0.101 0.000 0.779 148 E CB 2.139 31.801 29.700 -0.064 0.000 1.172 148 E HN 0.635 nan 8.360 nan 0.000 0.409 149 I N 1.841 122.338 120.570 -0.121 0.000 2.499 149 I HA 0.267 4.272 4.170 -0.275 0.000 0.288 149 I C -0.623 175.365 176.117 -0.215 0.000 1.048 149 I CA -0.461 60.673 61.300 -0.276 0.000 1.062 149 I CB 1.960 39.851 38.000 -0.182 0.000 1.238 149 I HN 0.484 nan 8.210 nan 0.000 0.426 150 E N 6.660 126.688 120.200 -0.285 0.000 2.241 150 E HA 0.443 4.628 4.350 -0.275 0.000 0.263 150 E C -1.933 174.583 176.600 -0.141 0.000 0.882 150 E CA -0.834 55.491 56.400 -0.125 0.000 0.769 150 E CB 2.328 31.991 29.700 -0.063 0.000 1.185 150 E HN 0.475 nan 8.360 nan 0.000 0.415 151 L N 4.054 125.237 121.223 -0.066 0.000 2.295 151 L HA 0.477 4.652 4.340 -0.275 0.000 0.285 151 L C -0.937 175.921 176.870 -0.020 0.000 1.035 151 L CA -0.032 54.785 54.840 -0.039 0.000 0.806 151 L CB 1.418 43.464 42.059 -0.021 0.000 1.214 151 L HN 0.653 nan 8.230 nan 0.000 0.426 152 E N 4.176 124.364 120.200 -0.020 0.000 2.260 152 E HA 0.709 4.894 4.350 -0.275 0.000 0.266 152 E C -1.798 174.776 176.600 -0.044 0.000 0.887 152 E CA -0.815 55.559 56.400 -0.043 0.000 0.777 152 E CB 1.636 31.332 29.700 -0.006 0.000 1.205 152 E HN 0.782 nan 8.360 nan 0.000 0.414 153 A N 5.228 128.012 122.820 -0.060 0.000 2.287 153 A HA 0.453 4.608 4.320 -0.275 0.000 0.317 153 A C -1.102 176.547 177.584 0.109 0.000 1.220 153 A CA -0.611 51.476 52.037 0.083 0.000 0.835 153 A CB 0.603 19.778 19.000 0.292 0.000 1.180 153 A HN 0.700 nan 8.150 nan 0.000 0.500 154 H N 1.380 120.593 119.070 0.238 0.000 2.467 154 H HA 0.656 5.046 4.556 -0.275 0.000 0.326 154 H C 0.602 176.035 175.328 0.175 0.000 1.094 154 H CA 0.695 56.825 56.048 0.136 0.000 1.253 154 H CB 1.856 31.672 29.762 0.089 0.000 1.439 154 H HN 1.161 nan 8.280 nan 0.000 0.479 155 G N 2.101 110.855 108.800 -0.077 0.000 2.345 155 G HA2 -0.003 3.792 3.960 -0.275 0.000 0.285 155 G HA3 -0.003 3.792 3.960 -0.275 0.000 0.285 155 G C -1.574 172.908 174.900 -0.697 0.000 1.297 155 G CA -0.784 44.130 45.100 -0.310 0.000 0.875 155 G HN 0.416 nan 8.290 nan 0.000 0.506 156 E N 0.375 120.191 120.200 -0.640 0.000 2.331 156 E HA 0.615 4.800 4.350 -0.275 0.000 0.243 156 E C -1.163 175.262 176.600 -0.291 0.000 0.925 156 E CA -0.305 55.851 56.400 -0.407 0.000 0.760 156 E CB 1.395 31.024 29.700 -0.118 0.000 1.254 156 E HN 0.730 nan 8.360 nan 0.000 0.419 157 F N -0.658 119.320 119.950 0.045 0.000 2.842 157 F HA 0.745 5.107 4.527 -0.275 0.000 0.319 157 F C -1.620 174.184 175.800 0.006 0.000 1.159 157 F CA -1.689 56.290 58.000 -0.036 0.000 0.902 157 F CB 0.629 39.544 39.000 -0.142 0.000 1.311 157 F HN 0.179 nan 8.300 nan 0.000 0.453 158 A N 0.876 123.875 122.820 0.299 0.000 2.343 158 A HA 0.897 5.052 4.320 -0.275 0.000 0.316 158 A C -0.529 177.145 177.584 0.151 0.000 1.104 158 A CA -0.117 52.036 52.037 0.193 0.000 0.768 158 A CB 1.148 20.213 19.000 0.108 0.000 1.213 158 A HN 1.478 nan 8.150 nan 0.000 0.456 159 T N -1.147 113.459 114.554 0.087 0.000 2.865 159 T HA 0.870 5.055 4.350 -0.275 0.000 0.294 159 T C -0.180 174.518 174.700 -0.003 0.000 1.119 159 T CA -0.106 61.962 62.100 -0.052 0.000 1.007 159 T CB 1.578 70.274 68.868 -0.286 0.000 1.225 159 T HN 1.344 nan 8.240 nan 0.000 0.515 160 T N -1.240 113.316 114.554 0.002 0.000 2.907 160 T HA 0.859 5.044 4.350 -0.275 0.000 0.292 160 T C -0.374 174.380 174.700 0.089 0.000 1.043 160 T CA -0.548 61.630 62.100 0.131 0.000 1.003 160 T CB 1.502 70.516 68.868 0.245 0.000 1.084 160 T HN 1.482 nan 8.240 nan 0.000 0.483 161 S N -0.059 115.746 115.700 0.175 0.000 2.643 161 S HA 0.926 5.231 4.470 -0.275 0.000 0.270 161 S C -1.205 173.458 174.600 0.105 0.000 1.166 161 S CA -0.732 57.569 58.200 0.168 0.000 0.815 161 S CB 1.254 64.598 63.200 0.240 0.000 1.139 161 S HN 1.925 nan 8.310 nan 0.000 0.472 162 A N 0.426 123.306 122.820 0.101 0.000 2.604 162 A HA 0.715 4.870 4.320 -0.275 0.000 0.295 162 A C -1.823 175.786 177.584 0.041 0.000 1.067 162 A CA -0.848 51.178 52.037 -0.019 0.000 0.683 162 A CB 1.033 19.956 19.000 -0.128 0.000 1.281 162 A HN 0.907 nan 8.150 nan 0.000 0.407 163 L N 2.827 124.065 121.223 0.025 0.000 2.277 163 L HA 0.355 4.530 4.340 -0.275 0.000 0.284 163 L C 0.182 177.087 176.870 0.057 0.000 1.028 163 L CA -0.551 54.310 54.840 0.035 0.000 0.835 163 L CB 1.006 43.085 42.059 0.033 0.000 1.215 163 L HN 0.882 nan 8.230 nan 0.000 0.425 164 H N 3.043 122.083 119.070 -0.050 0.000 2.672 164 H HA 0.223 4.612 4.556 -0.277 0.000 0.262 164 H C -0.242 175.055 175.328 -0.052 0.000 1.577 164 H CA -0.344 55.671 56.048 -0.054 0.000 1.183 164 H CB 0.135 29.832 29.762 -0.107 0.000 1.546 164 H HN 0.511 nan 8.280 nan 0.000 0.502 165 S N 1.702 117.436 115.700 0.056 0.000 2.549 165 S HA 0.029 4.334 4.470 -0.275 0.000 0.286 165 S C -0.411 174.029 174.600 -0.266 0.000 1.314 165 S CA -0.037 58.081 58.200 -0.137 0.000 1.062 165 S CB 0.173 63.154 63.200 -0.366 0.000 0.865 165 S HN 0.328 nan 8.310 nan 0.000 0.498 166 Y N 1.912 122.031 120.300 -0.302 0.000 2.353 166 Y HA 0.441 4.822 4.550 -0.280 0.000 0.340 166 Y C -0.271 175.463 175.900 -0.276 0.000 0.972 166 Y CA -0.823 57.192 58.100 -0.141 0.000 1.157 166 Y CB 0.447 38.898 38.460 -0.014 0.000 1.157 166 Y HN 0.520 nan 8.280 nan 0.000 0.495 167 F N 2.086 122.233 119.950 0.329 0.000 2.436 167 F HA 0.275 4.625 4.527 -0.295 0.000 0.340 167 F C 0.431 176.391 175.800 0.267 0.000 1.113 167 F CA -1.058 57.093 58.000 0.251 0.000 1.022 167 F CB 0.995 40.076 39.000 0.136 0.000 1.128 167 F HN 0.427 nan 8.300 nan 0.000 0.466 168 N N 2.967 121.933 118.700 0.443 0.000 2.452 168 N HA 0.342 4.917 4.740 -0.275 0.000 0.266 168 N C -1.104 174.544 175.510 0.230 0.000 1.175 168 N CA -0.137 53.135 53.050 0.371 0.000 0.945 168 N CB 0.700 39.370 38.487 0.305 0.000 1.063 168 N HN 0.449 nan 8.380 nan 0.000 0.472 169 V N 0.956 120.965 119.914 0.158 0.000 3.001 169 V HA 0.759 4.714 4.120 -0.275 0.000 0.314 169 V C 1.253 177.368 176.094 0.036 0.000 1.099 169 V CA -0.472 61.863 62.300 0.059 0.000 0.989 169 V CB 1.297 33.111 31.823 -0.015 0.000 1.040 169 V HN 0.527 nan 8.190 nan 0.000 0.434 170 G N 0.681 109.488 108.800 0.012 0.000 2.404 170 G HA2 0.028 3.823 3.960 -0.275 0.000 0.215 170 G HA3 0.028 3.823 3.960 -0.275 0.000 0.215 170 G C 0.190 175.072 174.900 -0.029 0.000 1.174 170 G CA 1.387 46.488 45.100 0.001 0.000 0.780 170 G HN 0.942 nan 8.290 nan 0.000 0.537 171 D N -1.656 118.714 120.400 -0.050 0.000 2.738 171 D HA 0.124 4.599 4.640 -0.275 0.000 0.218 171 D C 0.620 176.861 176.300 -0.098 0.000 1.345 171 D CA -0.770 53.179 54.000 -0.084 0.000 0.943 171 D CB 1.339 42.105 40.800 -0.057 0.000 1.514 171 D HN -0.082 nan 8.370 nan 0.000 0.585 172 I N 4.000 124.473 120.570 -0.161 0.000 2.423 172 I HA -0.096 3.909 4.170 -0.275 0.000 0.254 172 I C 1.934 178.023 176.117 -0.047 0.000 1.151 172 I CA 1.976 63.182 61.300 -0.156 0.000 1.421 172 I CB -0.028 37.825 38.000 -0.245 0.000 1.079 172 I HN 0.506 nan 8.210 nan 0.000 0.431 173 A N 0.867 123.665 122.820 -0.037 0.000 2.070 173 A HA -0.203 3.952 4.320 -0.275 0.000 0.220 173 A C 1.788 179.379 177.584 0.012 0.000 1.159 173 A CA 1.806 53.846 52.037 0.004 0.000 0.656 173 A CB -1.077 17.922 19.000 -0.002 0.000 0.800 173 A HN 0.734 nan 8.150 nan 0.000 0.453 174 N N -1.476 117.224 118.700 0.001 0.000 2.205 174 N HA 0.162 4.737 4.740 -0.275 0.000 0.201 174 N C -0.264 175.265 175.510 0.031 0.000 1.128 174 N CA -0.010 53.047 53.050 0.012 0.000 0.867 174 N CB -0.127 38.362 38.487 0.002 0.000 0.996 174 N HN 0.060 nan 8.380 nan 0.000 0.503 175 V N 1.895 121.832 119.914 0.038 0.000 2.637 175 V HA 0.112 4.067 4.120 -0.275 0.000 0.296 175 V C 0.355 176.538 176.094 0.148 0.000 1.046 175 V CA -0.241 62.093 62.300 0.058 0.000 1.066 175 V CB 0.516 32.320 31.823 -0.032 0.000 0.968 175 V HN 0.452 nan 8.190 nan 0.000 0.483 176 K N 3.736 124.226 120.400 0.150 0.000 2.375 176 K HA 0.834 4.989 4.320 -0.275 0.000 0.249 176 K C -1.801 174.953 176.600 0.257 0.000 0.942 176 K CA -0.872 55.528 56.287 0.188 0.000 0.806 176 K CB 2.356 34.888 32.500 0.053 0.000 1.227 176 K HN 0.267 nan 8.250 nan 0.000 0.430 177 V N 1.904 121.971 119.914 0.256 0.000 2.448 177 V HA 0.333 4.288 4.120 -0.275 0.000 0.295 177 V C -0.202 175.952 176.094 0.099 0.000 1.025 177 V CA -0.573 61.837 62.300 0.183 0.000 0.859 177 V CB 1.391 33.315 31.823 0.168 0.000 0.988 177 V HN 1.036 nan 8.190 nan 0.000 0.431 178 S N 2.455 118.232 115.700 0.128 0.000 2.766 178 S HA 0.849 5.154 4.470 -0.275 0.000 0.307 178 S C 0.866 175.460 174.600 -0.009 0.000 1.121 178 S CA -0.013 58.225 58.200 0.064 0.000 0.980 178 S CB 1.667 64.973 63.200 0.177 0.000 1.159 178 S HN 2.216 nan 8.310 nan 0.000 0.546 179 G N -0.439 108.346 108.800 -0.025 0.000 2.136 179 G HA2 -0.192 3.603 3.960 -0.275 0.000 0.242 179 G HA3 -0.192 3.603 3.960 -0.275 0.000 0.242 179 G C 0.267 175.118 174.900 -0.081 0.000 0.989 179 G CA 0.314 45.392 45.100 -0.037 0.000 0.682 179 G HN 0.744 nan 8.290 nan 0.000 0.522 180 L N 0.245 121.377 121.223 -0.152 0.000 2.591 180 L HA 0.423 4.598 4.340 -0.275 0.000 0.228 180 L C 2.056 178.861 176.870 -0.109 0.000 1.133 180 L CA 0.641 55.306 54.840 -0.293 0.000 0.880 180 L CB -0.426 41.191 42.059 -0.736 0.000 1.033 180 L HN 0.992 nan 8.230 nan 0.000 0.450 181 G N 1.528 110.313 108.800 -0.024 0.000 2.509 181 G HA2 -0.374 3.421 3.960 -0.275 0.000 0.259 181 G HA3 -0.374 3.421 3.960 -0.275 0.000 0.259 181 G C 0.116 175.076 174.900 0.100 0.000 1.169 181 G CA 0.384 45.512 45.100 0.046 0.000 0.953 181 G HN 0.398 nan 8.290 nan 0.000 0.563 182 D N -0.213 120.273 120.400 0.144 0.000 3.137 182 D HA 0.183 4.658 4.640 -0.275 0.000 0.236 182 D C 1.210 177.653 176.300 0.238 0.000 1.557 182 D CA 0.198 54.293 54.000 0.159 0.000 1.305 182 D CB -0.246 40.604 40.800 0.083 0.000 1.065 182 D HN 0.708 nan 8.370 nan 0.000 0.290 183 R N -0.044 120.543 120.500 0.146 0.000 2.539 183 R HA 0.536 4.711 4.340 -0.275 0.000 0.275 183 R C -0.579 175.826 176.300 0.176 0.000 1.077 183 R CA -0.285 55.849 56.100 0.056 0.000 1.097 183 R CB 0.571 30.856 30.300 -0.025 0.000 1.018 183 R HN 0.322 nan 8.270 nan 0.000 0.483 184 F N -1.200 118.728 119.950 -0.038 0.000 2.668 184 F HA 0.567 4.930 4.527 -0.273 0.000 0.309 184 F C -1.129 174.581 175.800 -0.151 0.000 1.117 184 F CA -1.429 56.467 58.000 -0.174 0.000 0.951 184 F CB 0.983 39.742 39.000 -0.402 0.000 1.323 184 F HN 0.180 nan 8.300 nan 0.000 0.451 185 I N 1.974 122.561 120.570 0.028 0.000 2.354 185 I HA 0.245 4.250 4.170 -0.275 0.000 0.292 185 I C -0.928 175.264 176.117 0.125 0.000 0.989 185 I CA -0.405 60.898 61.300 0.005 0.000 1.188 185 I CB 1.318 39.315 38.000 -0.005 0.000 1.342 185 I HN 0.549 nan 8.210 nan 0.000 0.457 186 D N 6.774 127.262 120.400 0.147 0.000 2.428 186 D HA 0.142 4.617 4.640 -0.275 0.000 0.221 186 D C 0.738 177.091 176.300 0.088 0.000 1.123 186 D CA -0.147 53.957 54.000 0.173 0.000 0.869 186 D CB 0.982 41.925 40.800 0.238 0.000 1.032 186 D HN 0.400 nan 8.370 nan 0.000 0.506 187 K N 1.933 122.381 120.400 0.079 0.000 2.365 187 K HA -0.005 4.150 4.320 -0.275 0.000 0.199 187 K C 1.635 178.276 176.600 0.068 0.000 1.045 187 K CA 0.372 56.697 56.287 0.064 0.000 0.962 187 K CB 0.522 33.061 32.500 0.066 0.000 0.759 187 K HN 0.286 nan 8.250 nan 0.000 0.469 188 V N 1.731 121.695 119.914 0.084 0.000 2.548 188 V HA -0.129 3.826 4.120 -0.275 0.000 0.249 188 V C 0.623 176.749 176.094 0.053 0.000 1.055 188 V CA 1.187 63.533 62.300 0.076 0.000 1.065 188 V CB -0.214 31.657 31.823 0.079 0.000 0.681 188 V HN 0.307 nan 8.190 nan 0.000 0.462 189 N N 0.868 119.599 118.700 0.052 0.000 2.886 189 N HA 0.174 4.749 4.740 -0.275 0.000 0.285 189 N C -0.662 174.863 175.510 0.026 0.000 1.706 189 N CA -0.021 53.052 53.050 0.038 0.000 0.904 189 N CB 0.855 39.368 38.487 0.044 0.000 1.224 189 N HN 0.231 nan 8.380 nan 0.000 0.488 190 D N 0.836 121.248 120.400 0.020 0.000 2.945 190 D HA -0.222 4.253 4.640 -0.275 0.000 0.225 190 D C 0.465 176.767 176.300 0.003 0.000 1.158 190 D CA 1.079 55.084 54.000 0.009 0.000 0.805 190 D CB -1.109 39.693 40.800 0.003 0.000 1.098 190 D HN 0.638 nan 8.370 nan 0.000 0.426 191 A N -0.897 121.930 122.820 0.011 0.000 2.799 191 A HA -0.350 3.805 4.320 -0.275 0.000 0.287 191 A C 0.654 178.227 177.584 -0.019 0.000 1.484 191 A CA 1.946 53.986 52.037 0.005 0.000 0.813 191 A CB -1.474 17.527 19.000 0.002 0.000 1.009 191 A HN 0.459 nan 8.150 nan 0.000 0.545 192 K N -0.029 120.357 120.400 -0.023 0.000 2.295 192 K HA 0.299 4.454 4.320 -0.275 0.000 0.270 192 K C 0.350 176.873 176.600 -0.128 0.000 1.011 192 K CA 0.045 56.296 56.287 -0.060 0.000 0.953 192 K CB 0.584 33.056 32.500 -0.048 0.000 0.956 192 K HN 0.582 nan 8.250 nan 0.000 0.477 193 E N 0.938 121.031 120.200 -0.177 0.000 2.200 193 E HA 0.242 4.427 4.350 -0.275 0.000 0.283 193 E C -0.443 175.874 176.600 -0.473 0.000 1.015 193 E CA -0.491 55.725 56.400 -0.308 0.000 0.819 193 E CB 0.958 30.533 29.700 -0.208 0.000 1.081 193 E HN 0.674 nan 8.360 nan 0.000 0.397 194 G N 1.897 110.083 108.800 -1.022 0.000 2.597 194 G HA2 0.575 4.370 3.960 -0.275 0.000 0.317 194 G HA3 0.575 4.370 3.960 -0.275 0.000 0.317 194 G C -1.189 173.160 174.900 -0.919 0.000 1.230 194 G CA -0.576 43.830 45.100 -1.156 0.000 0.996 194 G HN 0.440 nan 8.290 nan 0.000 0.490 195 V N 0.648 120.367 119.914 -0.326 0.000 2.569 195 V HA 0.337 4.292 4.120 -0.275 0.000 0.301 195 V C -0.174 176.046 176.094 0.210 0.000 1.044 195 V CA -0.508 61.779 62.300 -0.023 0.000 0.874 195 V CB 1.417 33.219 31.823 -0.034 0.000 1.002 195 V HN 0.592 nan 8.190 nan 0.000 0.424 196 L N 3.777 125.200 121.223 0.334 0.000 2.371 196 L HA 0.392 4.567 4.340 -0.275 0.000 0.272 196 L C 1.509 178.450 176.870 0.119 0.000 1.124 196 L CA -0.049 54.928 54.840 0.227 0.000 0.816 196 L CB 1.600 43.780 42.059 0.202 0.000 1.129 196 L HN 0.870 nan 8.230 nan 0.000 0.448 197 T N -4.033 110.566 114.554 0.075 0.000 3.040 197 T HA 0.047 4.232 4.350 -0.275 0.000 0.250 197 T C 0.505 175.223 174.700 0.030 0.000 1.058 197 T CA 0.311 62.438 62.100 0.045 0.000 0.988 197 T CB -0.048 68.838 68.868 0.030 0.000 0.993 197 T HN 0.741 nan 8.240 nan 0.000 0.519 198 D N -0.391 120.025 120.400 0.026 0.000 2.525 198 D HA 0.236 4.711 4.640 -0.275 0.000 0.231 198 D C 1.460 177.759 176.300 -0.002 0.000 1.216 198 D CA 0.188 54.191 54.000 0.006 0.000 0.813 198 D CB -0.524 40.272 40.800 -0.007 0.000 1.108 198 D HN 0.405 nan 8.370 nan 0.000 0.524 199 G N 0.888 109.692 108.800 0.005 0.000 2.153 199 G HA2 -0.273 3.522 3.960 -0.275 0.000 0.252 199 G HA3 -0.273 3.522 3.960 -0.275 0.000 0.252 199 G C -0.029 174.829 174.900 -0.070 0.000 0.994 199 G CA 0.433 45.517 45.100 -0.026 0.000 0.698 199 G HN 0.463 nan 8.290 nan 0.000 0.521 200 I N 0.238 120.772 120.570 -0.059 0.000 2.362 200 I HA 0.451 4.456 4.170 -0.275 0.000 0.289 200 I C 0.066 176.120 176.117 -0.105 0.000 0.994 200 I CA -0.841 60.416 61.300 -0.071 0.000 1.158 200 I CB 1.832 39.795 38.000 -0.061 0.000 1.315 200 I HN 0.104 nan 8.210 nan 0.000 0.451 201 Q N 5.305 125.030 119.800 -0.126 0.000 2.316 201 Q HA 0.502 4.677 4.340 -0.275 0.000 0.264 201 Q C -0.553 175.320 176.000 -0.211 0.000 0.987 201 Q CA -0.535 55.124 55.803 -0.239 0.000 0.852 201 Q CB 1.686 30.225 28.738 -0.332 0.000 1.287 201 Q HN 0.744 nan 8.270 nan 0.000 0.448 202 T N -0.137 114.233 114.554 -0.307 0.000 2.948 202 T HA 0.686 4.871 4.350 -0.275 0.000 0.285 202 T C -0.453 173.955 174.700 -0.487 0.000 1.019 202 T CA -0.540 61.453 62.100 -0.179 0.000 1.013 202 T CB 0.667 69.492 68.868 -0.072 0.000 1.117 202 T HN 0.415 nan 8.240 nan 0.000 0.533 203 F N 1.443 121.360 119.950 -0.054 0.000 2.584 203 F HA 0.356 4.722 4.527 -0.268 0.000 0.328 203 F C -1.688 174.076 175.800 -0.060 0.000 1.407 203 F CA -2.086 55.873 58.000 -0.068 0.000 1.145 203 F CB 1.503 40.445 39.000 -0.096 0.000 1.440 203 F HN 0.443 nan 8.300 nan 0.000 0.580 204 P HA 0.117 nan 4.420 nan 0.000 0.231 204 P C 0.180 177.491 177.300 0.018 0.000 1.168 204 P CA 1.367 64.479 63.100 0.020 0.000 0.779 204 P CB 0.515 32.208 31.700 -0.013 0.000 0.844 205 D N -1.065 119.336 120.400 0.001 0.000 2.946 205 D HA 0.286 4.761 4.640 -0.275 0.000 0.337 205 D C -0.680 175.598 176.300 -0.036 0.000 1.332 205 D CA -0.880 53.102 54.000 -0.030 0.000 0.935 205 D CB 0.365 41.143 40.800 -0.037 0.000 1.440 205 D HN -0.115 nan 8.370 nan 0.000 0.540 206 R N 0.113 120.574 120.500 -0.065 0.000 2.485 206 R HA 0.349 4.524 4.340 -0.275 0.000 0.304 206 R C -0.856 175.452 176.300 0.014 0.000 0.934 206 R CA 0.925 57.000 56.100 -0.041 0.000 1.102 206 R CB -0.525 29.767 30.300 -0.013 0.000 0.906 206 R HN 0.498 nan 8.270 nan 0.000 0.407 207 T N 4.004 118.591 114.554 0.055 0.000 2.881 207 T HA 0.210 4.395 4.350 -0.275 0.000 0.290 207 T C -1.368 173.486 174.700 0.256 0.000 1.000 207 T CA -0.657 61.493 62.100 0.084 0.000 0.978 207 T CB 1.536 70.410 68.868 0.009 0.000 0.997 207 T HN 0.508 nan 8.240 nan 0.000 0.443 208 D N 2.413 122.954 120.400 0.234 0.000 2.337 208 D HA 0.275 4.751 4.640 -0.275 0.000 0.238 208 D C -0.718 175.671 176.300 0.149 0.000 1.331 208 D CA -0.436 53.767 54.000 0.339 0.000 0.967 208 D CB 0.717 41.743 40.800 0.376 0.000 1.382 208 D HN 0.354 nan 8.370 nan 0.000 0.549 209 R N 1.653 122.201 120.500 0.080 0.000 2.628 209 R HA 0.610 4.785 4.340 -0.275 0.000 0.288 209 R C -0.870 175.281 176.300 -0.248 0.000 0.980 209 R CA -0.961 55.037 56.100 -0.170 0.000 0.891 209 R CB 2.545 32.533 30.300 -0.520 0.000 1.188 209 R HN 0.027 nan 8.270 nan 0.000 0.450 210 V N 4.311 124.094 119.914 -0.219 0.000 2.318 210 V HA 0.261 4.216 4.120 -0.275 0.000 0.271 210 V C -0.729 175.214 176.094 -0.252 0.000 1.030 210 V CA -0.748 61.469 62.300 -0.139 0.000 0.844 210 V CB 0.227 32.052 31.823 0.004 0.000 1.015 210 V HN 0.583 nan 8.190 nan 0.000 0.460 211 Y N 4.468 124.812 120.300 0.074 0.000 2.335 211 Y HA 0.300 4.686 4.550 -0.274 0.000 0.331 211 Y C 1.147 177.066 175.900 0.032 0.000 1.094 211 Y CA -0.413 57.736 58.100 0.082 0.000 1.253 211 Y CB 0.843 39.324 38.460 0.034 0.000 1.203 211 Y HN 0.489 nan 8.280 nan 0.000 0.508 212 L N 1.912 123.217 121.223 0.136 0.000 2.477 212 L HA 0.100 4.275 4.340 -0.275 0.000 0.220 212 L C 0.745 177.638 176.870 0.040 0.000 1.106 212 L CA 0.579 55.447 54.840 0.047 0.000 0.851 212 L CB 0.073 42.143 42.059 0.018 0.000 0.994 212 L HN 0.624 nan 8.230 nan 0.000 0.462 213 N N -0.227 118.526 118.700 0.088 0.000 2.622 213 N HA 0.149 4.725 4.740 -0.275 0.000 0.293 213 N C -2.615 172.938 175.510 0.072 0.000 1.788 213 N CA -1.161 51.923 53.050 0.057 0.000 0.860 213 N CB 0.787 39.303 38.487 0.047 0.000 1.388 213 N HN -0.071 nan 8.380 nan 0.000 0.496 214 P HA 0.172 nan 4.420 nan 0.000 0.274 214 P C -0.293 177.035 177.300 0.047 0.000 1.237 214 P CA -0.039 63.084 63.100 0.040 0.000 0.793 214 P CB 1.491 33.188 31.700 -0.005 0.000 0.977 215 E N 0.047 120.259 120.200 0.020 0.000 2.369 215 E HA 0.247 4.432 4.350 -0.275 0.000 0.255 215 E C 1.494 178.117 176.600 0.038 0.000 1.172 215 E CA -0.456 55.959 56.400 0.025 0.000 0.932 215 E CB 0.309 30.012 29.700 0.005 0.000 1.040 215 E HN 0.426 nan 8.360 nan 0.000 0.454 216 A N 0.825 123.653 122.820 0.013 0.000 1.940 216 A HA -0.148 4.007 4.320 -0.275 0.000 0.219 216 A C 1.070 178.610 177.584 -0.074 0.000 1.176 216 A CA 0.908 52.914 52.037 -0.051 0.000 0.631 216 A CB -0.180 18.752 19.000 -0.113 0.000 0.814 216 A HN 0.545 nan 8.150 nan 0.000 0.446 217 C N 1.175 120.441 119.300 -0.057 0.000 2.281 217 C HA 0.651 4.946 4.460 -0.275 0.000 0.323 217 C C 0.255 175.211 174.990 -0.056 0.000 1.270 217 C CA -0.892 58.068 59.018 -0.096 0.000 1.559 217 C CB -0.444 27.242 27.740 -0.090 0.000 2.239 217 C HN 0.420 nan 8.230 nan 0.000 0.488 218 S N 3.780 119.449 115.700 -0.052 0.000 2.562 218 S HA 0.578 4.883 4.470 -0.275 0.000 0.275 218 S C -0.416 174.104 174.600 -0.134 0.000 1.281 218 S CA -0.509 57.663 58.200 -0.048 0.000 1.045 218 S CB 1.321 64.546 63.200 0.041 0.000 0.962 218 S HN 0.675 nan 8.310 nan 0.000 0.503 219 V N 3.982 123.814 119.914 -0.135 0.000 2.444 219 V HA 0.403 4.358 4.120 -0.275 0.000 0.294 219 V C -0.357 175.546 176.094 -0.319 0.000 1.022 219 V CA -0.585 61.556 62.300 -0.266 0.000 0.850 219 V CB 1.258 32.898 31.823 -0.306 0.000 0.992 219 V HN 0.768 nan 8.190 nan 0.000 0.426 220 I N 4.987 125.351 120.570 -0.344 0.000 2.325 220 I HA 0.366 4.371 4.170 -0.275 0.000 0.291 220 I C -0.027 175.911 176.117 -0.298 0.000 1.019 220 I CA -0.317 60.842 61.300 -0.235 0.000 1.302 220 I CB 0.474 38.336 38.000 -0.230 0.000 1.401 220 I HN 0.567 nan 8.210 nan 0.000 0.485 221 H N 5.098 124.139 119.070 -0.049 0.000 2.519 221 H HA 0.256 4.649 4.556 -0.271 0.000 0.316 221 H C -1.000 174.310 175.328 -0.030 0.000 1.065 221 H CA -0.506 55.521 56.048 -0.035 0.000 1.264 221 H CB 1.907 31.655 29.762 -0.023 0.000 1.413 221 H HN 0.472 nan 8.280 nan 0.000 0.465 222 D N 2.609 123.041 120.400 0.054 0.000 2.420 222 D HA 0.255 4.730 4.640 -0.275 0.000 0.255 222 D C 0.759 177.074 176.300 0.024 0.000 1.185 222 D CA -0.508 53.508 54.000 0.026 0.000 0.904 222 D CB 1.087 41.888 40.800 0.001 0.000 1.102 222 D HN 0.611 nan 8.370 nan 0.000 0.534 223 A N 2.631 125.467 122.820 0.026 0.000 1.969 223 A HA -0.091 4.064 4.320 -0.275 0.000 0.218 223 A C 1.920 179.508 177.584 0.006 0.000 1.169 223 A CA 1.462 53.509 52.037 0.016 0.000 0.635 223 A CB -0.216 18.791 19.000 0.012 0.000 0.810 223 A HN 0.549 nan 8.150 nan 0.000 0.445 224 T N 0.348 114.904 114.554 0.002 0.000 2.737 224 T HA -0.005 4.180 4.350 -0.275 0.000 0.265 224 T C 1.540 176.239 174.700 -0.002 0.000 1.038 224 T CA 1.284 63.383 62.100 -0.002 0.000 1.144 224 T CB -0.260 68.604 68.868 -0.007 0.000 0.866 224 T HN 0.350 nan 8.240 nan 0.000 0.434 225 L N 0.874 122.097 121.223 -0.000 0.000 2.591 225 L HA 0.199 4.374 4.340 -0.275 0.000 0.228 225 L C 0.122 176.988 176.870 -0.007 0.000 1.133 225 L CA -0.072 54.766 54.840 -0.003 0.000 0.880 225 L CB -0.445 41.615 42.059 0.001 0.000 1.033 225 L HN 0.273 nan 8.230 nan 0.000 0.450 226 N N 1.983 120.681 118.700 -0.003 0.000 2.738 226 N HA -0.186 4.389 4.740 -0.275 0.000 0.249 226 N C -0.165 175.340 175.510 -0.008 0.000 1.047 226 N CA 0.896 53.944 53.050 -0.003 0.000 0.707 226 N CB -0.858 37.626 38.487 -0.006 0.000 0.937 226 N HN 0.626 nan 8.380 nan 0.000 0.545 227 R N -2.573 117.920 120.500 -0.010 0.000 2.764 227 R HA 0.678 4.853 4.340 -0.275 0.000 0.270 227 R C -0.658 175.616 176.300 -0.042 0.000 1.014 227 R CA -0.805 55.280 56.100 -0.025 0.000 0.904 227 R CB 1.071 31.352 30.300 -0.031 0.000 1.236 227 R HN 0.027 nan 8.270 nan 0.000 0.466 228 T N -0.738 113.773 114.554 -0.072 0.000 2.888 228 T HA 0.642 4.827 4.350 -0.275 0.000 0.284 228 T C 0.048 174.663 174.700 -0.141 0.000 1.017 228 T CA -0.846 61.164 62.100 -0.150 0.000 1.022 228 T CB 1.208 69.942 68.868 -0.223 0.000 1.013 228 T HN 0.471 nan 8.240 nan 0.000 0.465 229 I N 2.152 122.604 120.570 -0.197 0.000 2.378 229 I HA 0.328 4.333 4.170 -0.275 0.000 0.291 229 I C -0.640 175.313 176.117 -0.274 0.000 0.992 229 I CA -0.898 60.280 61.300 -0.204 0.000 1.154 229 I CB 1.527 39.370 38.000 -0.262 0.000 1.315 229 I HN 0.600 nan 8.210 nan 0.000 0.448 230 D N 6.364 126.645 120.400 -0.199 0.000 2.249 230 D HA 0.332 4.807 4.640 -0.275 0.000 0.246 230 D C -0.535 175.617 176.300 -0.247 0.000 1.114 230 D CA -0.079 53.799 54.000 -0.204 0.000 0.854 230 D CB 2.297 43.021 40.800 -0.128 0.000 1.132 230 D HN 0.044 nan 8.370 nan 0.000 0.461 231 V N 2.973 122.699 119.914 -0.313 0.000 2.326 231 V HA 0.243 4.198 4.120 -0.275 0.000 0.281 231 V C 0.155 175.906 176.094 -0.571 0.000 1.015 231 V CA -0.823 61.245 62.300 -0.386 0.000 0.823 231 V CB 1.669 33.264 31.823 -0.382 0.000 1.009 231 V HN 0.232 nan 8.190 nan 0.000 0.436 232 V N 4.978 124.595 119.914 -0.495 0.000 2.427 232 V HA 0.489 4.444 4.120 -0.275 0.000 0.286 232 V C -0.235 175.480 176.094 -0.633 0.000 1.034 232 V CA -0.591 61.414 62.300 -0.491 0.000 0.893 232 V CB 1.324 33.009 31.823 -0.231 0.000 0.982 232 V HN 0.791 nan 8.190 nan 0.000 0.452 233 H N 3.698 122.520 119.070 -0.414 0.000 2.466 233 H HA 0.614 5.006 4.556 -0.272 0.000 0.338 233 H C -0.998 173.977 175.328 -0.589 0.000 1.091 233 H CA -0.403 55.319 56.048 -0.544 0.000 1.207 233 H CB 1.628 30.772 29.762 -1.030 0.000 1.466 233 H HN 0.729 nan 8.280 nan 0.000 0.493 234 H N 1.158 120.216 119.070 -0.020 0.000 2.717 234 H HA 0.189 4.579 4.556 -0.277 0.000 0.366 234 H C -0.047 175.267 175.328 -0.022 0.000 1.132 234 H CA -0.408 55.570 56.048 -0.117 0.000 1.180 234 H CB 1.045 30.544 29.762 -0.440 0.000 1.678 234 H HN 0.763 nan 8.280 nan 0.000 0.537 235 H N -0.247 119.071 119.070 0.415 0.000 3.211 235 H HA -0.195 4.196 4.556 -0.275 0.000 0.240 235 H C 0.277 175.804 175.328 0.332 0.000 1.148 235 H CA 1.196 57.418 56.048 0.289 0.000 1.160 235 H CB -2.113 27.780 29.762 0.219 0.000 1.232 235 H HN 0.789 nan 8.280 nan 0.000 0.321 236 H N -0.525 118.676 119.070 0.217 0.000 2.523 236 H HA 0.448 4.841 4.556 -0.272 0.000 0.345 236 H C 0.898 176.156 175.328 -0.117 0.000 1.261 236 H CA -0.803 55.325 56.048 0.134 0.000 1.343 236 H CB 1.267 31.043 29.762 0.023 0.000 1.650 236 H HN 0.071 nan 8.280 nan 0.000 0.591 237 L N -0.145 120.753 121.223 -0.542 0.000 2.609 237 L HA 0.300 4.475 4.340 -0.275 0.000 0.230 237 L C -0.425 176.270 176.870 -0.291 0.000 1.064 237 L CA 0.449 54.907 54.840 -0.636 0.000 0.873 237 L CB -0.202 41.320 42.059 -0.895 0.000 1.139 237 L HN 0.702 nan 8.230 nan 0.000 0.490 238 N N -2.502 116.142 118.700 -0.093 0.000 2.525 238 N HA 0.626 5.201 4.740 -0.275 0.000 0.270 238 N C -1.581 173.902 175.510 -0.044 0.000 1.321 238 N CA -0.661 52.365 53.050 -0.039 0.000 0.797 238 N CB 2.702 41.123 38.487 -0.110 0.000 1.529 238 N HN -0.344 nan 8.380 nan 0.000 0.491 239 V N 1.078 120.959 119.914 -0.054 0.000 2.680 239 V HA 0.530 4.485 4.120 -0.275 0.000 0.309 239 V C -0.709 175.437 176.094 0.086 0.000 1.052 239 V CA -0.703 61.506 62.300 -0.152 0.000 0.908 239 V CB 2.001 33.639 31.823 -0.308 0.000 1.001 239 V HN 0.372 nan 8.190 nan 0.000 0.431 240 V N 2.738 122.682 119.914 0.050 0.000 2.459 240 V HA 0.760 4.715 4.120 -0.275 0.000 0.295 240 V C 0.559 176.815 176.094 0.270 0.000 1.029 240 V CA -0.282 62.115 62.300 0.162 0.000 0.874 240 V CB 1.851 33.725 31.823 0.085 0.000 0.985 240 V HN 0.994 nan 8.190 nan 0.000 0.438 241 G N 3.393 112.464 108.800 0.451 0.000 2.372 241 G HA2 0.564 4.359 3.960 -0.275 0.000 0.323 241 G HA3 0.564 4.359 3.960 -0.275 0.000 0.323 241 G C -1.787 173.456 174.900 0.572 0.000 1.152 241 G CA -0.403 45.009 45.100 0.520 0.000 0.906 241 G HN 0.719 nan 8.290 nan 0.000 0.460 242 W N 3.172 124.619 121.300 0.246 0.000 3.274 242 W HA 0.611 5.105 4.660 -0.277 0.000 0.327 242 W C -1.574 175.014 176.519 0.114 0.000 1.172 242 W CA -1.103 56.364 57.345 0.204 0.000 1.217 242 W CB 1.856 31.389 29.460 0.122 0.000 1.376 242 W HN 0.464 nan 8.180 nan 0.000 0.507 243 N N 6.772 125.166 118.700 -0.510 0.000 2.336 243 N HA 0.336 4.911 4.740 -0.275 0.000 0.290 243 N C -2.276 172.662 175.510 -0.953 0.000 1.058 243 N CA -1.603 50.884 53.050 -0.939 0.000 0.865 243 N CB 3.496 41.650 38.487 -0.556 0.000 1.581 243 N HN 0.195 nan 8.380 nan 0.000 0.480 244 P HA 0.120 nan 4.420 nan 0.000 0.231 244 P C 0.738 177.867 177.300 -0.285 0.000 1.168 244 P CA 0.867 63.695 63.100 -0.453 0.000 0.779 244 P CB 0.237 31.809 31.700 -0.213 0.000 0.844 245 G N 1.340 109.915 108.800 -0.375 0.000 2.804 245 G HA2 -0.197 3.599 3.960 -0.275 0.000 0.230 245 G HA3 -0.197 3.599 3.960 -0.275 0.000 0.230 245 G C -1.868 172.476 174.900 -0.927 0.000 1.386 245 G CA -0.001 44.780 45.100 -0.532 0.000 0.875 245 G HN 0.049 nan 8.290 nan 0.000 0.557 246 P HA 0.022 nan 4.420 nan 0.000 0.215 246 P C 2.126 179.212 177.300 -0.357 0.000 1.157 246 P CA 2.752 65.259 63.100 -0.989 0.000 0.856 246 P CB -0.255 31.054 31.700 -0.652 0.000 0.786 247 A N 0.733 123.417 122.820 -0.226 0.000 1.873 247 A HA -0.174 3.981 4.320 -0.275 0.000 0.218 247 A C 2.499 180.054 177.584 -0.048 0.000 1.193 247 A CA 1.736 53.716 52.037 -0.095 0.000 0.629 247 A CB -1.756 17.206 19.000 -0.064 0.000 0.826 247 A HN 0.112 nan 8.150 nan 0.000 0.447 248 L N -0.807 120.388 121.223 -0.046 0.000 2.083 248 L HA -0.160 4.015 4.340 -0.275 0.000 0.209 248 L C 2.922 179.833 176.870 0.068 0.000 1.083 248 L CA 1.499 56.362 54.840 0.039 0.000 0.752 248 L CB -0.400 41.714 42.059 0.092 0.000 0.899 248 L HN 0.507 nan 8.230 nan 0.000 0.433 249 S N -0.608 115.099 115.700 0.011 0.000 2.382 249 S HA -0.149 4.156 4.470 -0.275 0.000 0.228 249 S C 1.922 176.597 174.600 0.125 0.000 1.027 249 S CA 1.182 59.450 58.200 0.113 0.000 0.991 249 S CB -0.046 63.245 63.200 0.152 0.000 0.823 249 S HN 0.206 nan 8.310 nan 0.000 0.469 250 V N 1.871 121.824 119.914 0.066 0.000 2.358 250 V HA -0.102 3.853 4.120 -0.275 0.000 0.246 250 V C 2.602 178.740 176.094 0.074 0.000 1.047 250 V CA 1.986 64.329 62.300 0.071 0.000 1.035 250 V CB -0.837 31.010 31.823 0.039 0.000 0.658 250 V HN 0.746 nan 8.190 nan 0.000 0.452 251 S N -1.121 114.619 115.700 0.068 0.000 2.496 251 S HA 0.127 4.432 4.470 -0.275 0.000 0.224 251 S C 0.918 175.571 174.600 0.089 0.000 0.996 251 S CA 0.193 58.435 58.200 0.069 0.000 0.927 251 S CB -0.422 62.812 63.200 0.057 0.000 0.774 251 S HN 0.479 nan 8.310 nan 0.000 0.524 252 M N 2.399 122.070 119.600 0.119 0.000 2.220 252 M HA 0.293 4.608 4.480 -0.275 0.000 0.343 252 M C 1.528 177.902 176.300 0.123 0.000 1.470 252 M CA -0.090 55.293 55.300 0.139 0.000 1.161 252 M CB 0.878 33.599 32.600 0.202 0.000 1.737 252 M HN 0.354 nan 8.290 nan 0.000 0.464 253 G N 1.764 110.620 108.800 0.095 0.000 2.471 253 G HA2 -0.180 3.615 3.960 -0.275 0.000 0.219 253 G HA3 -0.180 3.615 3.960 -0.275 0.000 0.219 253 G C 0.737 175.684 174.900 0.078 0.000 1.125 253 G CA 0.542 45.690 45.100 0.078 0.000 0.775 253 G HN 0.843 nan 8.290 nan 0.000 0.548 254 D N -1.097 119.354 120.400 0.084 0.000 2.325 254 D HA 0.186 4.661 4.640 -0.275 0.000 0.225 254 D C 0.667 177.032 176.300 0.109 0.000 1.096 254 D CA -0.272 53.766 54.000 0.064 0.000 0.844 254 D CB 0.024 40.837 40.800 0.022 0.000 0.925 254 D HN 0.310 nan 8.370 nan 0.000 0.513 255 M N 0.322 120.023 119.600 0.168 0.000 2.465 255 M HA 0.478 4.793 4.480 -0.275 0.000 0.316 255 M C -2.831 173.606 176.300 0.229 0.000 1.121 255 M CA -2.263 53.197 55.300 0.267 0.000 0.934 255 M CB 2.547 35.344 32.600 0.329 0.000 1.692 255 M HN -0.367 nan 8.290 nan 0.000 0.444 256 P HA 0.067 nan 4.420 nan 0.000 0.269 256 P C -0.527 176.910 177.300 0.228 0.000 1.209 256 P CA -0.015 63.214 63.100 0.214 0.000 0.776 256 P CB 0.535 32.378 31.700 0.239 0.000 0.876 257 D N 0.854 121.357 120.400 0.172 0.000 2.158 257 D HA -0.157 4.318 4.640 -0.275 0.000 0.197 257 D C 0.635 177.084 176.300 0.248 0.000 0.995 257 D CA 1.605 55.709 54.000 0.173 0.000 0.846 257 D CB -0.232 40.642 40.800 0.123 0.000 0.941 257 D HN 0.414 nan 8.370 nan 0.000 0.456 258 D N -0.717 119.813 120.400 0.216 0.000 2.342 258 D HA 0.107 4.582 4.640 -0.275 0.000 0.221 258 D C 1.908 178.266 176.300 0.097 0.000 1.101 258 D CA 0.063 54.167 54.000 0.174 0.000 0.837 258 D CB 0.077 40.914 40.800 0.062 0.000 0.938 258 D HN 0.150 nan 8.370 nan 0.000 0.508 259 G N 1.031 109.998 108.800 0.279 0.000 2.469 259 G HA2 -0.342 3.453 3.960 -0.275 0.000 0.220 259 G HA3 -0.342 3.453 3.960 -0.275 0.000 0.220 259 G C 1.489 176.435 174.900 0.077 0.000 1.136 259 G CA 1.034 46.374 45.100 0.400 0.000 0.759 259 G HN 0.497 nan 8.290 nan 0.000 0.562 260 Y N 0.693 120.925 120.300 -0.114 0.000 2.384 260 Y HA 0.047 4.434 4.550 -0.271 0.000 0.289 260 Y C 2.464 178.045 175.900 -0.532 0.000 1.152 260 Y CA 1.373 59.133 58.100 -0.567 0.000 1.258 260 Y CB -0.250 37.956 38.460 -0.423 0.000 0.979 260 Y HN 0.120 nan 8.280 nan 0.000 0.549 261 K N 0.329 120.038 120.400 -1.152 0.000 2.147 261 K HA -0.089 4.066 4.320 -0.275 0.000 0.205 261 K C 1.274 177.623 176.600 -0.418 0.000 1.049 261 K CA 1.788 57.582 56.287 -0.821 0.000 0.936 261 K CB -0.244 31.884 32.500 -0.620 0.000 0.722 261 K HN 0.607 nan 8.250 nan 0.000 0.446 262 T N -1.685 112.692 114.554 -0.294 0.000 3.228 262 T HA 0.246 4.431 4.350 -0.275 0.000 0.278 262 T C -0.141 174.497 174.700 -0.104 0.000 1.014 262 T CA -0.839 61.213 62.100 -0.080 0.000 0.904 262 T CB -0.396 68.581 68.868 0.181 0.000 1.110 262 T HN 0.121 nan 8.240 nan 0.000 0.541 263 F N -0.800 118.849 119.950 -0.502 0.000 2.626 263 F HA 0.879 5.238 4.527 -0.280 0.000 0.311 263 F C -1.811 173.772 175.800 -0.362 0.000 1.088 263 F CA -1.842 55.893 58.000 -0.442 0.000 0.949 263 F CB 1.649 40.183 39.000 -0.778 0.000 1.322 263 F HN -0.068 nan 8.300 nan 0.000 0.461 264 V N 1.712 121.593 119.914 -0.055 0.000 2.841 264 V HA 0.575 4.530 4.120 -0.275 0.000 0.310 264 V C -1.235 174.940 176.094 0.135 0.000 1.090 264 V CA -0.778 61.376 62.300 -0.243 0.000 0.930 264 V CB 1.712 33.215 31.823 -0.533 0.000 1.014 264 V HN 1.176 nan 8.190 nan 0.000 0.425 265 C N 5.721 125.086 119.300 0.107 0.000 2.347 265 C HA 0.686 4.982 4.460 -0.275 0.000 0.353 265 C C 0.086 175.195 174.990 0.199 0.000 1.273 265 C CA -0.584 58.524 59.018 0.150 0.000 1.861 265 C CB 0.452 28.277 27.740 0.141 0.000 2.420 265 C HN 0.643 nan 8.230 nan 0.000 0.542 266 V N 4.749 124.863 119.914 0.333 0.000 2.380 266 V HA 0.326 4.282 4.120 -0.275 0.000 0.286 266 V C -0.270 176.017 176.094 0.321 0.000 1.015 266 V CA -0.331 62.152 62.300 0.306 0.000 0.834 266 V CB 1.004 32.970 31.823 0.238 0.000 1.009 266 V HN 0.880 nan 8.190 nan 0.000 0.428 267 E N 2.232 122.520 120.200 0.146 0.000 2.179 267 E HA 0.513 4.698 4.350 -0.275 0.000 0.275 267 E C -0.580 176.031 176.600 0.019 0.000 0.945 267 E CA -0.699 55.726 56.400 0.042 0.000 0.792 267 E CB 2.028 31.638 29.700 -0.150 0.000 1.125 267 E HN 0.521 nan 8.360 nan 0.000 0.397 268 T N 2.122 116.724 114.554 0.080 0.000 2.749 268 T HA 0.340 4.525 4.350 -0.275 0.000 0.295 268 T C -0.346 174.325 174.700 -0.047 0.000 0.936 268 T CA -0.430 61.710 62.100 0.066 0.000 1.060 268 T CB 0.533 69.525 68.868 0.207 0.000 0.904 268 T HN 0.111 nan 8.240 nan 0.000 0.500 269 V N 3.578 123.435 119.914 -0.095 0.000 2.841 269 V HA 0.424 4.379 4.120 -0.275 0.000 0.310 269 V C -1.404 174.656 176.094 -0.057 0.000 1.090 269 V CA -1.031 61.131 62.300 -0.230 0.000 0.930 269 V CB 2.315 33.821 31.823 -0.528 0.000 1.014 269 V HN 0.883 nan 8.190 nan 0.000 0.425 270 Y N 2.856 123.083 120.300 -0.122 0.000 2.749 270 Y HA 0.662 5.046 4.550 -0.276 0.000 0.343 270 Y C 0.436 176.325 175.900 -0.018 0.000 1.015 270 Y CA 0.029 58.114 58.100 -0.026 0.000 1.270 270 Y CB 1.305 39.790 38.460 0.042 0.000 1.097 270 Y HN 0.722 nan 8.280 nan 0.000 0.571 271 A N 1.006 123.853 122.820 0.045 0.000 2.009 271 A HA 0.036 4.191 4.320 -0.275 0.000 0.197 271 A C 1.797 179.456 177.584 0.124 0.000 1.471 271 A CA 0.891 53.018 52.037 0.151 0.000 0.973 271 A CB -0.267 18.842 19.000 0.182 0.000 1.020 271 A HN 0.566 nan 8.150 nan 0.000 0.476 272 T N -2.022 112.544 114.554 0.020 0.000 3.118 272 T HA 0.523 4.708 4.350 -0.275 0.000 0.260 272 T C 0.581 175.303 174.700 0.037 0.000 1.139 272 T CA 0.966 63.077 62.100 0.018 0.000 1.085 272 T CB -0.197 68.654 68.868 -0.028 0.000 0.934 272 T HN 1.083 nan 8.240 nan 0.000 0.518 273 A N 1.562 124.432 122.820 0.082 0.000 2.594 273 A HA 0.772 4.927 4.320 -0.275 0.000 0.291 273 A C -3.078 174.692 177.584 0.311 0.000 1.105 273 A CA -1.953 50.177 52.037 0.155 0.000 0.694 273 A CB 1.316 20.395 19.000 0.132 0.000 1.291 273 A HN 0.132 nan 8.150 nan 0.000 0.410 274 P HA 0.306 nan 4.420 nan 0.000 0.284 274 P C -1.069 176.304 177.300 0.122 0.000 1.258 274 P CA -0.241 62.977 63.100 0.197 0.000 0.824 274 P CB 1.210 32.982 31.700 0.121 0.000 1.038 275 Q N 1.308 121.024 119.800 -0.141 0.000 2.241 275 Q HA 0.168 4.343 4.340 -0.275 0.000 0.254 275 Q C -0.334 175.599 176.000 -0.112 0.000 0.917 275 Q CA -0.633 54.916 55.803 -0.423 0.000 0.919 275 Q CB 0.806 29.026 28.738 -0.862 0.000 1.237 275 Q HN 0.332 nan 8.270 nan 0.000 0.434 276 Q N 1.327 121.079 119.800 -0.081 0.000 2.286 276 Q HA 0.509 4.684 4.340 -0.275 0.000 0.257 276 Q C -1.167 174.818 176.000 -0.025 0.000 0.941 276 Q CA -0.143 55.649 55.803 -0.018 0.000 0.912 276 Q CB 1.672 30.399 28.738 -0.018 0.000 1.192 276 Q HN 0.604 nan 8.270 nan 0.000 0.410 277 A N 2.103 124.904 122.820 -0.032 0.000 2.356 277 A HA 0.757 4.912 4.320 -0.275 0.000 0.310 277 A C -0.083 177.357 177.584 -0.240 0.000 1.075 277 A CA -0.447 51.502 52.037 -0.146 0.000 0.746 277 A CB 1.198 20.084 19.000 -0.190 0.000 1.221 277 A HN 0.756 nan 8.150 nan 0.000 0.443 278 T N -1.791 112.655 114.554 -0.179 0.000 2.858 278 T HA 0.868 5.053 4.350 -0.275 0.000 0.285 278 T C 0.368 174.998 174.700 -0.117 0.000 1.052 278 T CA 1.037 63.050 62.100 -0.145 0.000 1.009 278 T CB 1.598 70.417 68.868 -0.082 0.000 1.241 278 T HN 2.283 nan 8.240 nan 0.000 0.542 279 E N -1.518 118.643 120.200 -0.066 0.000 4.287 279 E HA -0.106 4.079 4.350 -0.275 0.000 0.423 279 E C -0.150 176.435 176.600 -0.025 0.000 0.527 279 E CA 0.912 57.282 56.400 -0.050 0.000 1.509 279 E CB -2.263 nan 29.700 nan 0.000 1.968 279 E HN 1.095 nan 8.360 nan 0.000 0.308 280 E N -0.464 119.726 120.200 -0.016 0.000 2.325 280 E HA 0.612 4.797 4.350 -0.275 0.000 0.248 280 E C -0.583 176.002 176.600 -0.025 0.000 0.912 280 E CA 0.481 56.874 56.400 -0.012 0.000 0.782 280 E CB 1.136 30.856 29.700 0.033 0.000 1.264 280 E HN 0.856 nan 8.360 nan 0.000 0.417 281 K N 5.102 125.468 120.400 -0.057 0.000 2.579 281 K HA 0.435 4.590 4.320 -0.275 0.000 0.225 281 K C -2.835 173.691 176.600 -0.124 0.000 0.992 281 K CA -1.719 54.524 56.287 -0.073 0.000 1.018 281 K CB 0.661 nan 32.500 nan 0.000 1.249 281 K HN 0.427 nan 8.250 nan 0.000 0.489 282 P HA 0.089 nan 4.420 nan 0.000 0.270 282 P C 0.089 177.273 177.300 -0.193 0.000 1.223 282 P CA 0.077 62.995 63.100 -0.304 0.000 0.785 282 P CB 1.013 32.284 31.700 -0.714 0.000 0.923 283 S N 1.959 117.591 115.700 -0.112 0.000 2.617 283 S HA 0.516 4.821 4.470 -0.275 0.000 0.269 283 S C 0.106 174.653 174.600 -0.088 0.000 1.292 283 S CA -0.661 57.497 58.200 -0.071 0.000 1.010 283 S CB 0.944 64.154 63.200 0.017 0.000 0.944 283 S HN 0.408 nan 8.310 nan 0.000 0.536 284 R N -0.011 120.435 120.500 -0.091 0.000 2.698 284 R HA 0.700 4.875 4.340 -0.275 0.000 0.275 284 R C -1.897 174.450 176.300 0.079 0.000 1.001 284 R CA -0.879 55.175 56.100 -0.076 0.000 0.896 284 R CB 1.772 31.906 30.300 -0.278 0.000 1.218 284 R HN 0.561 nan 8.270 nan 0.000 0.462 285 L N 1.123 122.436 121.223 0.150 0.000 2.455 285 L HA 0.787 4.962 4.340 -0.275 0.000 0.264 285 L C -1.676 175.320 176.870 0.210 0.000 0.968 285 L CA -0.216 54.774 54.840 0.251 0.000 0.827 285 L CB 2.207 44.384 42.059 0.196 0.000 1.317 285 L HN 0.871 nan 8.230 nan 0.000 0.407 286 A N 4.052 127.021 122.820 0.248 0.000 2.515 286 A HA 0.817 4.972 4.320 -0.275 0.000 0.298 286 A C -1.596 176.044 177.584 0.094 0.000 1.059 286 A CA -0.511 51.614 52.037 0.146 0.000 0.698 286 A CB 1.900 21.008 19.000 0.180 0.000 1.289 286 A HN 0.679 nan 8.150 nan 0.000 0.404 287 Q N 0.599 120.415 119.800 0.026 0.000 2.331 287 Q HA 0.637 4.812 4.340 -0.275 0.000 0.272 287 Q C -1.482 174.492 176.000 -0.045 0.000 1.062 287 Q CA -0.348 55.439 55.803 -0.027 0.000 0.806 287 Q CB 2.185 30.926 28.738 0.005 0.000 1.312 287 Q HN 0.687 nan 8.270 nan 0.000 0.431 288 T N 4.206 118.715 114.554 -0.075 0.000 2.829 288 T HA 0.594 4.779 4.350 -0.275 0.000 0.280 288 T C -0.532 174.110 174.700 -0.095 0.000 0.999 288 T CA -0.395 61.658 62.100 -0.078 0.000 0.983 288 T CB 0.630 69.475 68.868 -0.037 0.000 0.968 288 T HN 0.465 nan 8.240 nan 0.000 0.446 289 I N 1.926 122.440 120.570 -0.094 0.000 2.433 289 I HA 0.601 4.607 4.170 -0.275 0.000 0.292 289 I C -0.323 175.828 176.117 0.056 0.000 1.001 289 I CA -0.815 60.478 61.300 -0.011 0.000 1.119 289 I CB 1.702 39.779 38.000 0.128 0.000 1.289 289 I HN 0.584 nan 8.210 nan 0.000 0.438 290 C N 6.499 125.862 119.300 0.104 0.000 2.609 290 C HA 0.750 5.045 4.460 -0.275 0.000 0.313 290 C C -0.576 174.490 174.990 0.126 0.000 1.175 290 C CA -0.260 58.848 59.018 0.150 0.000 1.434 290 C CB 1.253 29.020 27.740 0.045 0.000 2.005 290 C HN 0.587 nan 8.230 nan 0.000 0.471 291 V N 4.894 124.896 119.914 0.147 0.000 2.483 291 V HA 0.874 4.829 4.120 -0.275 0.000 0.295 291 V C 0.486 176.586 176.094 0.010 0.000 1.035 291 V CA -0.050 62.276 62.300 0.043 0.000 0.896 291 V CB 1.432 33.251 31.823 -0.007 0.000 0.986 291 V HN 1.199 nan 8.190 nan 0.000 0.447 292 A N 3.214 126.022 122.820 -0.021 0.000 2.475 292 A HA 0.879 5.034 4.320 -0.275 0.000 0.301 292 A C -0.034 177.535 177.584 -0.026 0.000 1.059 292 A CA -0.422 51.602 52.037 -0.020 0.000 0.710 292 A CB 1.397 20.383 19.000 -0.024 0.000 1.288 292 A HN 1.037 nan 8.150 nan 0.000 0.408 293 K N 0.753 121.142 120.400 -0.017 0.000 2.336 293 K HA 0.627 4.783 4.320 -0.275 0.000 0.262 293 K C 0.270 176.864 176.600 -0.010 0.000 0.992 293 K CA 0.773 57.051 56.287 -0.015 0.000 0.927 293 K CB 0.397 32.891 32.500 -0.011 0.000 0.956 293 K HN 1.152 nan 8.250 nan 0.000 0.495 294 R N 0.000 120.497 120.500 -0.005 0.000 2.786 294 R HA 0.000 4.175 4.340 -0.275 0.000 0.208 294 R CA 0.000 56.104 56.100 0.007 0.000 0.921 294 R CB 0.000 30.310 30.300 0.017 0.000 0.687 294 R HN 0.000 nan 8.270 nan 0.000 0.535