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 2z2c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 D N 3.000 123.396 120.400 -0.006 0.000 2.382 2 D HA 0.417 5.049 4.640 -0.014 0.000 0.245 2 D C -0.705 175.570 176.300 -0.042 0.000 1.120 2 D CA 0.347 54.339 54.000 -0.013 0.000 0.890 2 D CB 0.831 41.616 40.800 -0.025 0.000 1.201 2 D HN 0.316 nan 8.370 nan 0.000 0.433 3 K N 0.957 121.344 120.400 -0.022 0.000 2.443 3 K HA 0.464 4.776 4.320 -0.014 0.000 0.251 3 K C -0.844 175.803 176.600 0.079 0.000 0.972 3 K CA -0.909 55.362 56.287 -0.025 0.000 0.833 3 K CB 1.575 34.094 32.500 0.031 0.000 1.317 3 K HN 0.128 nan 8.250 nan 0.000 0.441 4 F N 1.458 121.417 119.950 0.016 0.000 2.408 4 F HA 0.355 4.872 4.527 -0.018 0.000 0.344 4 F C 0.610 176.414 175.800 0.006 0.000 1.112 4 F CA -1.082 56.922 58.000 0.007 0.000 1.096 4 F CB 1.203 40.200 39.000 -0.005 0.000 1.129 4 F HN 0.329 nan 8.300 nan 0.000 0.486 5 R N 2.695 123.314 120.500 0.198 0.000 2.207 5 R HA 0.631 4.962 4.340 -0.014 0.000 0.334 5 R C -1.591 174.739 176.300 0.050 0.000 1.013 5 R CA -0.259 55.899 56.100 0.097 0.000 0.858 5 R CB 0.669 31.008 30.300 0.065 0.000 1.094 5 R HN 0.475 nan 8.270 nan 0.000 0.457 6 V N 4.188 124.128 119.914 0.042 0.000 2.555 6 V HA 0.341 4.452 4.120 -0.014 0.000 0.302 6 V C -0.532 175.564 176.094 0.004 0.000 1.038 6 V CA -0.831 61.472 62.300 0.006 0.000 0.887 6 V CB 1.767 33.597 31.823 0.011 0.000 0.991 6 V HN 0.681 nan 8.190 nan 0.000 0.434 7 Q N 1.820 121.615 119.800 -0.009 0.000 2.333 7 Q HA 0.726 5.057 4.340 -0.014 0.000 0.268 7 Q C -0.127 175.868 176.000 -0.008 0.000 1.007 7 Q CA 0.034 55.834 55.803 -0.005 0.000 0.810 7 Q CB 1.969 30.703 28.738 -0.007 0.000 1.264 7 Q HN 1.014 nan 8.270 nan 0.000 0.452 8 G N 2.718 111.516 108.800 -0.004 0.000 3.015 8 G HA2 0.743 4.695 3.960 -0.014 0.000 0.281 8 G HA3 0.743 4.695 3.960 -0.014 0.000 0.281 8 G C -2.824 172.075 174.900 -0.002 0.000 1.386 8 G CA -1.518 43.580 45.100 -0.004 0.000 0.959 8 G HN 0.531 nan 8.290 nan 0.000 0.522 9 P HA 0.416 nan 4.420 nan 0.000 0.286 9 P C -0.855 176.443 177.300 -0.004 0.000 1.261 9 P CA -0.191 62.907 63.100 -0.003 0.000 0.821 9 P CB 1.918 33.617 31.700 -0.001 0.000 1.013 10 T N 1.854 116.405 114.554 -0.006 0.000 2.881 10 T HA 0.337 4.678 4.350 -0.014 0.000 0.291 10 T C -0.488 174.209 174.700 -0.004 0.000 0.990 10 T CA -0.776 61.320 62.100 -0.007 0.000 0.976 10 T CB 0.531 69.393 68.868 -0.011 0.000 0.970 10 T HN 0.307 nan 8.240 nan 0.000 0.438 11 K N 4.112 124.510 120.400 -0.003 0.000 2.297 11 K HA 0.562 4.874 4.320 -0.014 0.000 0.286 11 K C -0.545 176.054 176.600 -0.000 0.000 1.053 11 K CA -0.631 55.655 56.287 -0.002 0.000 0.940 11 K CB 0.899 33.398 32.500 -0.002 0.000 1.019 11 K HN 0.381 nan 8.250 nan 0.000 0.475 12 L N 3.192 124.418 121.223 0.004 0.000 2.272 12 L HA 0.299 4.631 4.340 -0.014 0.000 0.289 12 L C -0.495 176.383 176.870 0.013 0.000 1.032 12 L CA -0.650 54.199 54.840 0.015 0.000 0.810 12 L CB 1.288 43.366 42.059 0.032 0.000 1.205 12 L HN 0.675 nan 8.230 nan 0.000 0.422 13 Q N 2.012 121.816 119.800 0.005 0.000 2.289 13 Q HA 0.740 5.072 4.340 -0.014 0.000 0.270 13 Q C -0.198 175.793 176.000 -0.016 0.000 1.038 13 Q CA 0.349 56.147 55.803 -0.007 0.000 0.812 13 Q CB 2.354 31.086 28.738 -0.011 0.000 1.300 13 Q HN 0.772 nan 8.270 nan 0.000 0.427 14 G N 2.719 111.504 108.800 -0.025 0.000 2.348 14 G HA2 0.001 3.953 3.960 -0.014 0.000 0.199 14 G HA3 0.001 3.953 3.960 -0.014 0.000 0.199 14 G C -1.401 173.469 174.900 -0.050 0.000 1.235 14 G CA -0.002 45.074 45.100 -0.040 0.000 1.264 14 G HN 0.781 nan 8.290 nan 0.000 0.543 15 E N -1.634 118.525 120.200 -0.069 0.000 2.393 15 E HA 0.756 5.097 4.350 -0.014 0.000 0.273 15 E C -1.220 175.298 176.600 -0.138 0.000 0.918 15 E CA -1.020 55.327 56.400 -0.088 0.000 0.773 15 E CB 2.895 32.545 29.700 -0.083 0.000 1.275 15 E HN 1.377 nan 8.360 nan 0.000 0.451 16 V N 0.710 120.515 119.914 -0.183 0.000 2.962 16 V HA 0.573 4.685 4.120 -0.014 0.000 0.313 16 V C -1.308 174.668 176.094 -0.195 0.000 1.099 16 V CA -0.324 61.799 62.300 -0.294 0.000 0.971 16 V CB 2.507 33.913 31.823 -0.694 0.000 1.028 16 V HN 0.892 nan 8.190 nan 0.000 0.430 17 T N 7.102 121.555 114.554 -0.168 0.000 2.758 17 T HA 0.528 4.870 4.350 -0.014 0.000 0.285 17 T C -0.287 174.374 174.700 -0.066 0.000 0.981 17 T CA -0.235 61.815 62.100 -0.083 0.000 0.965 17 T CB 0.670 69.506 68.868 -0.052 0.000 0.927 17 T HN 0.457 nan 8.240 nan 0.000 0.448 18 I N 3.221 123.779 120.570 -0.020 0.000 2.496 18 I HA 0.187 4.349 4.170 -0.014 0.000 0.285 18 I C 1.147 177.279 176.117 0.026 0.000 1.080 18 I CA -0.039 61.275 61.300 0.023 0.000 1.404 18 I CB 0.634 38.666 38.000 0.054 0.000 1.403 18 I HN 0.565 nan 8.210 nan 0.000 0.539 19 S N 4.163 119.889 115.700 0.043 0.000 2.624 19 S HA 0.452 4.914 4.470 -0.014 0.000 0.263 19 S C 0.671 175.282 174.600 0.018 0.000 1.287 19 S CA -0.551 57.667 58.200 0.031 0.000 0.990 19 S CB 1.160 64.388 63.200 0.047 0.000 0.950 19 S HN 0.837 nan 8.310 nan 0.000 0.561 20 G N 0.099 108.902 108.800 0.005 0.000 2.569 20 G HA2 0.466 4.418 3.960 -0.014 0.000 0.249 20 G HA3 0.466 4.418 3.960 -0.014 0.000 0.249 20 G C -0.129 174.766 174.900 -0.009 0.000 1.216 20 G CA -0.455 44.643 45.100 -0.004 0.000 0.845 20 G HN 0.915 nan 8.290 nan 0.000 0.568 21 A N 1.055 123.869 122.820 -0.011 0.000 2.515 21 A HA 0.221 4.533 4.320 -0.014 0.000 0.263 21 A C 1.708 179.283 177.584 -0.015 0.000 1.096 21 A CA 0.238 52.264 52.037 -0.019 0.000 0.769 21 A CB 0.206 19.198 19.000 -0.014 0.000 1.040 21 A HN 0.895 nan 8.150 nan 0.000 0.505 22 K N 2.448 122.831 120.400 -0.028 0.000 2.059 22 K HA -0.234 4.077 4.320 -0.014 0.000 0.212 22 K C 0.685 177.306 176.600 0.035 0.000 1.050 22 K CA 2.212 58.494 56.287 -0.008 0.000 0.927 22 K CB -0.103 32.373 32.500 -0.041 0.000 0.714 22 K HN 0.748 nan 8.250 nan 0.000 0.447 23 N N -0.145 118.577 118.700 0.036 0.000 2.467 23 N HA 0.012 4.743 4.740 -0.014 0.000 0.184 23 N C 1.069 176.618 175.510 0.065 0.000 1.106 23 N CA 0.813 53.920 53.050 0.096 0.000 0.892 23 N CB 0.439 38.982 38.487 0.093 0.000 0.969 23 N HN 0.337 nan 8.380 nan 0.000 0.454 24 A N 0.363 123.190 122.820 0.011 0.000 1.956 24 A HA 0.361 4.673 4.320 -0.014 0.000 0.212 24 A C 2.242 179.786 177.584 -0.065 0.000 1.188 24 A CA 0.928 52.946 52.037 -0.031 0.000 0.675 24 A CB -0.492 18.505 19.000 -0.006 0.000 0.845 24 A HN 0.189 nan 8.150 nan 0.000 0.455 25 A N 0.414 123.211 122.820 -0.038 0.000 1.883 25 A HA -0.113 4.198 4.320 -0.014 0.000 0.217 25 A C 2.149 179.689 177.584 -0.074 0.000 1.186 25 A CA 1.650 53.645 52.037 -0.069 0.000 0.624 25 A CB -0.733 18.244 19.000 -0.039 0.000 0.822 25 A HN 0.464 nan 8.150 nan 0.000 0.444 26 L N -0.263 120.983 121.223 0.038 0.000 1.994 26 L HA -0.112 4.220 4.340 -0.014 0.000 0.208 26 L C -0.323 176.656 176.870 0.182 0.000 1.071 26 L CA 1.661 56.613 54.840 0.187 0.000 0.745 26 L CB -1.557 40.743 42.059 0.402 0.000 0.892 26 L HN 0.301 nan 8.230 nan 0.000 0.431 27 P HA -0.141 nan 4.420 nan 0.000 0.219 27 P C 1.844 178.916 177.300 -0.380 0.000 1.150 27 P CA 1.478 64.164 63.100 -0.690 0.000 0.814 27 P CB 0.046 31.074 31.700 -1.119 0.000 0.787 28 I N -1.126 119.225 120.570 -0.366 0.000 2.315 28 I HA -0.198 3.964 4.170 -0.014 0.000 0.248 28 I C 2.203 177.977 176.117 -0.572 0.000 1.117 28 I CA 0.885 61.821 61.300 -0.607 0.000 1.404 28 I CB -0.547 37.021 38.000 -0.720 0.000 1.071 28 I HN -0.123 nan 8.210 nan 0.000 0.419 29 L N -0.257 120.738 121.223 -0.380 0.000 2.141 29 L HA -0.160 4.172 4.340 -0.014 0.000 0.209 29 L C 2.087 178.725 176.870 -0.386 0.000 1.094 29 L CA 1.937 56.549 54.840 -0.380 0.000 0.763 29 L CB -0.835 40.979 42.059 -0.408 0.000 0.908 29 L HN 0.094 nan 8.230 nan 0.000 0.437 30 F N -0.953 118.955 119.950 -0.071 0.000 2.234 30 F HA 0.000 4.510 4.527 -0.028 0.000 0.296 30 F C 2.420 178.225 175.800 0.008 0.000 1.089 30 F CA 0.846 58.853 58.000 0.012 0.000 1.343 30 F CB -1.035 38.019 39.000 0.090 0.000 1.040 30 F HN 0.045 nan 8.300 nan 0.000 0.498 31 A N 0.180 123.056 122.820 0.095 0.000 1.978 31 A HA -0.093 4.219 4.320 -0.014 0.000 0.220 31 A C 2.369 180.097 177.584 0.240 0.000 1.170 31 A CA 1.545 53.663 52.037 0.135 0.000 0.636 31 A CB -1.235 17.841 19.000 0.127 0.000 0.810 31 A HN 0.284 nan 8.150 nan 0.000 0.448 32 A N -0.232 122.699 122.820 0.184 0.000 2.131 32 A HA -0.024 4.288 4.320 -0.014 0.000 0.220 32 A C 1.957 179.644 177.584 0.172 0.000 1.158 32 A CA 1.304 53.476 52.037 0.225 0.000 0.665 32 A CB -0.636 18.424 19.000 0.101 0.000 0.795 32 A HN 0.519 nan 8.150 nan 0.000 0.460 33 L N -0.873 120.457 121.223 0.177 0.000 2.261 33 L HA -0.178 4.154 4.340 -0.014 0.000 0.216 33 L C 2.158 179.148 176.870 0.200 0.000 1.114 33 L CA 0.782 55.756 54.840 0.224 0.000 0.777 33 L CB -0.486 41.746 42.059 0.288 0.000 0.910 33 L HN 0.399 nan 8.230 nan 0.000 0.440 34 L N -0.303 121.006 121.223 0.143 0.000 2.291 34 L HA 0.030 4.362 4.340 -0.014 0.000 0.214 34 L C 1.448 178.335 176.870 0.027 0.000 1.120 34 L CA -0.193 54.684 54.840 0.061 0.000 0.799 34 L CB -0.499 41.585 42.059 0.042 0.000 0.925 34 L HN 0.144 nan 8.230 nan 0.000 0.446 35 A N 0.683 123.542 122.820 0.066 0.000 2.451 35 A HA 0.124 4.436 4.320 -0.014 0.000 0.266 35 A C 0.771 178.381 177.584 0.043 0.000 1.119 35 A CA -0.164 51.898 52.037 0.041 0.000 0.786 35 A CB -0.000 19.050 19.000 0.084 0.000 1.061 35 A HN 0.359 nan 8.150 nan 0.000 0.503 36 E N 1.632 121.839 120.200 0.012 0.000 2.465 36 E HA 0.103 4.445 4.350 -0.014 0.000 0.195 36 E C -0.521 176.094 176.600 0.025 0.000 1.028 36 E CA 0.221 56.633 56.400 0.020 0.000 0.899 36 E CB 0.432 30.129 29.700 -0.006 0.000 1.032 36 E HN 0.817 nan 8.360 nan 0.000 0.468 37 E N 0.624 120.839 120.200 0.026 0.000 2.340 37 E HA 0.287 4.628 4.350 -0.014 0.000 0.273 37 E C -2.743 173.886 176.600 0.048 0.000 0.891 37 E CA -2.508 53.910 56.400 0.030 0.000 0.757 37 E CB 2.113 31.822 29.700 0.013 0.000 1.231 37 E HN -0.159 nan 8.360 nan 0.000 0.439 38 P HA -0.059 nan 4.420 nan 0.000 0.267 38 P C -1.076 176.275 177.300 0.085 0.000 1.195 38 P CA 0.135 63.284 63.100 0.081 0.000 0.773 38 P CB 0.468 32.222 31.700 0.089 0.000 0.837 39 V N 2.198 122.175 119.914 0.104 0.000 2.709 39 V HA 0.318 4.430 4.120 -0.014 0.000 0.308 39 V C -0.205 175.915 176.094 0.044 0.000 1.062 39 V CA -0.479 61.892 62.300 0.118 0.000 0.901 39 V CB 1.950 33.897 31.823 0.206 0.000 1.003 39 V HN 0.511 nan 8.190 nan 0.000 0.425 40 E N 4.265 124.452 120.200 -0.023 0.000 2.155 40 E HA 0.563 4.904 4.350 -0.014 0.000 0.264 40 E C -1.597 174.938 176.600 -0.108 0.000 0.886 40 E CA -0.657 55.574 56.400 -0.281 0.000 0.752 40 E CB 1.436 30.884 29.700 -0.421 0.000 1.133 40 E HN 0.582 nan 8.360 nan 0.000 0.414 41 I N 4.402 124.890 120.570 -0.138 0.000 2.312 41 I HA 0.160 4.321 4.170 -0.014 0.000 0.290 41 I C 0.262 176.326 176.117 -0.089 0.000 1.008 41 I CA -0.305 60.961 61.300 -0.057 0.000 1.226 41 I CB 1.435 39.369 38.000 -0.111 0.000 1.371 41 I HN 0.434 nan 8.210 nan 0.000 0.468 42 Q N 3.738 123.500 119.800 -0.062 0.000 2.193 42 Q HA 0.363 4.695 4.340 -0.014 0.000 0.246 42 Q C 0.337 176.305 176.000 -0.052 0.000 0.959 42 Q CA -0.864 54.901 55.803 -0.064 0.000 0.904 42 Q CB 0.683 29.381 28.738 -0.068 0.000 1.238 42 Q HN 0.565 nan 8.270 nan 0.000 0.469 43 N N -0.669 118.007 118.700 -0.039 0.000 2.735 43 N HA -0.165 4.567 4.740 -0.014 0.000 0.248 43 N C -1.574 173.923 175.510 -0.021 0.000 1.083 43 N CA 0.296 53.330 53.050 -0.028 0.000 0.703 43 N CB -0.940 37.524 38.487 -0.038 0.000 1.005 43 N HN 0.344 nan 8.380 nan 0.000 0.550 44 V N 1.675 121.576 119.914 -0.021 0.000 2.432 44 V HA 0.356 4.468 4.120 -0.014 0.000 0.271 44 V C -1.462 174.630 176.094 -0.004 0.000 1.046 44 V CA -1.071 61.218 62.300 -0.020 0.000 0.945 44 V CB 1.163 32.967 31.823 -0.032 0.000 0.992 44 V HN 0.183 nan 8.190 nan 0.000 0.471 45 P HA 0.191 nan 4.420 nan 0.000 0.272 45 P C -0.782 176.531 177.300 0.022 0.000 1.223 45 P CA -0.468 62.641 63.100 0.015 0.000 0.784 45 P CB 0.872 32.579 31.700 0.012 0.000 0.923 46 K N 2.833 123.254 120.400 0.035 0.000 2.263 46 K HA 0.490 4.802 4.320 -0.014 0.000 0.282 46 K C -0.244 176.386 176.600 0.051 0.000 1.089 46 K CA -0.254 56.056 56.287 0.038 0.000 0.907 46 K CB 0.234 32.759 32.500 0.041 0.000 1.148 46 K HN 0.462 nan 8.250 nan 0.000 0.470 47 L N 2.022 123.271 121.223 0.044 0.000 2.469 47 L HA 0.262 4.593 4.340 -0.014 0.000 0.256 47 L C 0.826 177.724 176.870 0.047 0.000 1.006 47 L CA -0.899 53.972 54.840 0.053 0.000 0.832 47 L CB 1.797 43.881 42.059 0.041 0.000 1.421 47 L HN 0.351 nan 8.230 nan 0.000 0.410 48 K N 0.581 121.014 120.400 0.055 0.000 2.097 48 K HA -0.134 4.178 4.320 -0.014 0.000 0.206 48 K C 1.093 177.721 176.600 0.047 0.000 1.049 48 K CA 1.842 58.159 56.287 0.050 0.000 0.933 48 K CB 0.081 32.617 32.500 0.061 0.000 0.717 48 K HN 0.564 nan 8.250 nan 0.000 0.442 49 D N -0.339 120.093 120.400 0.052 0.000 2.178 49 D HA -0.114 4.518 4.640 -0.014 0.000 0.201 49 D C 1.749 178.084 176.300 0.057 0.000 0.980 49 D CA 0.984 55.022 54.000 0.062 0.000 0.842 49 D CB -0.002 40.839 40.800 0.069 0.000 0.948 49 D HN 0.044 nan 8.370 nan 0.000 0.472 50 V N 1.145 121.080 119.914 0.035 0.000 2.307 50 V HA -0.190 3.922 4.120 -0.014 0.000 0.245 50 V C 1.770 177.863 176.094 -0.002 0.000 1.045 50 V CA 1.582 63.887 62.300 0.008 0.000 1.024 50 V CB -0.355 31.469 31.823 0.001 0.000 0.651 50 V HN 0.100 nan 8.190 nan 0.000 0.449 51 D N 0.090 120.497 120.400 0.012 0.000 2.123 51 D HA -0.154 4.478 4.640 -0.014 0.000 0.196 51 D C 2.264 178.571 176.300 0.012 0.000 0.992 51 D CA 1.964 55.970 54.000 0.010 0.000 0.833 51 D CB -0.498 40.312 40.800 0.017 0.000 0.954 51 D HN 0.396 nan 8.370 nan 0.000 0.455 52 T N 0.373 114.944 114.554 0.028 0.000 2.746 52 T HA -0.102 4.240 4.350 -0.014 0.000 0.267 52 T C 2.199 176.931 174.700 0.053 0.000 1.039 52 T CA 1.412 63.538 62.100 0.043 0.000 1.142 52 T CB -0.243 68.659 68.868 0.057 0.000 0.866 52 T HN 0.054 nan 8.240 nan 0.000 0.444 53 S N 1.511 117.232 115.700 0.035 0.000 2.359 53 S HA -0.050 4.412 4.470 -0.014 0.000 0.224 53 S C 2.140 176.663 174.600 -0.129 0.000 1.035 53 S CA 1.232 59.392 58.200 -0.068 0.000 1.018 53 S CB -0.401 62.677 63.200 -0.204 0.000 0.876 53 S HN 0.451 nan 8.310 nan 0.000 0.448 54 M N 1.080 120.629 119.600 -0.085 0.000 2.159 54 M HA -0.103 4.369 4.480 -0.014 0.000 0.263 54 M C 2.340 178.622 176.300 -0.030 0.000 1.063 54 M CA 1.262 56.523 55.300 -0.066 0.000 1.110 54 M CB -0.446 32.131 32.600 -0.039 0.000 1.374 54 M HN 0.203 nan 8.290 nan 0.000 0.411 55 K N 1.056 121.451 120.400 -0.008 0.000 2.057 55 K HA -0.143 4.168 4.320 -0.014 0.000 0.207 55 K C 1.963 178.574 176.600 0.018 0.000 1.049 55 K CA 1.149 57.441 56.287 0.007 0.000 0.931 55 K CB -0.112 32.397 32.500 0.015 0.000 0.714 55 K HN 0.325 nan 8.250 nan 0.000 0.440 56 L N 0.836 122.083 121.223 0.040 0.000 2.027 56 L HA -0.180 4.152 4.340 -0.014 0.000 0.206 56 L C 2.103 179.007 176.870 0.056 0.000 1.074 56 L CA 0.869 55.757 54.840 0.080 0.000 0.745 56 L CB -0.249 41.920 42.059 0.182 0.000 0.898 56 L HN 0.228 nan 8.230 nan 0.000 0.433 57 L N -0.161 121.067 121.223 0.008 0.000 2.012 57 L HA -0.223 4.109 4.340 -0.014 0.000 0.210 57 L C 2.789 179.657 176.870 -0.003 0.000 1.073 57 L CA 1.867 56.703 54.840 -0.008 0.000 0.748 57 L CB -1.541 40.477 42.059 -0.068 0.000 0.891 57 L HN 0.241 nan 8.230 nan 0.000 0.431 58 S N -0.955 114.740 115.700 -0.009 0.000 2.370 58 S HA -0.250 4.211 4.470 -0.014 0.000 0.226 58 S C 1.861 176.450 174.600 -0.018 0.000 1.033 58 S CA 1.136 59.329 58.200 -0.010 0.000 1.011 58 S CB -0.312 62.883 63.200 -0.008 0.000 0.852 58 S HN 0.514 nan 8.310 nan 0.000 0.457 59 Q N 0.557 120.350 119.800 -0.011 0.000 2.224 59 Q HA 0.092 4.423 4.340 -0.014 0.000 0.203 59 Q C 1.794 177.761 176.000 -0.054 0.000 0.970 59 Q CA 0.804 56.593 55.803 -0.023 0.000 0.865 59 Q CB -0.360 28.376 28.738 -0.002 0.000 0.922 59 Q HN 0.509 nan 8.270 nan 0.000 0.445 60 L N -1.341 119.856 121.223 -0.043 0.000 2.552 60 L HA 0.108 4.439 4.340 -0.014 0.000 0.227 60 L C 1.191 177.973 176.870 -0.147 0.000 1.146 60 L CA 0.573 55.351 54.840 -0.103 0.000 0.858 60 L CB -0.012 42.026 42.059 -0.034 0.000 0.969 60 L HN 0.418 nan 8.230 nan 0.000 0.451 61 G N -0.412 108.336 108.800 -0.086 0.000 2.163 61 G HA2 -0.179 3.773 3.960 -0.014 0.000 0.213 61 G HA3 -0.179 3.773 3.960 -0.014 0.000 0.213 61 G C 0.302 175.190 174.900 -0.020 0.000 0.991 61 G CA -0.185 44.871 45.100 -0.072 0.000 0.653 61 G HN 0.455 nan 8.290 nan 0.000 0.518 62 A N 0.002 122.824 122.820 0.002 0.000 2.351 62 A HA 0.693 5.005 4.320 -0.014 0.000 0.257 62 A C 0.457 178.050 177.584 0.016 0.000 1.087 62 A CA 0.230 52.284 52.037 0.028 0.000 0.798 62 A CB 0.431 19.453 19.000 0.036 0.000 1.033 62 A HN 0.383 nan 8.150 nan 0.000 0.488 63 K N 0.722 121.137 120.400 0.025 0.000 2.211 63 K HA 0.548 4.859 4.320 -0.014 0.000 0.275 63 K C -1.214 175.402 176.600 0.028 0.000 1.024 63 K CA -0.228 56.071 56.287 0.020 0.000 0.887 63 K CB 1.611 34.125 32.500 0.023 0.000 1.084 63 K HN 0.373 nan 8.250 nan 0.000 0.463 64 V N 3.126 123.052 119.914 0.020 0.000 2.709 64 V HA 0.402 4.514 4.120 -0.014 0.000 0.308 64 V C -0.583 175.528 176.094 0.028 0.000 1.062 64 V CA -0.867 61.448 62.300 0.025 0.000 0.901 64 V CB 1.925 33.748 31.823 0.001 0.000 1.003 64 V HN 0.743 nan 8.190 nan 0.000 0.425 65 E N 3.292 123.524 120.200 0.053 0.000 2.413 65 E HA 0.714 5.055 4.350 -0.014 0.000 0.277 65 E C -1.132 175.518 176.600 0.083 0.000 0.958 65 E CA -1.009 55.417 56.400 0.043 0.000 0.779 65 E CB 3.745 33.450 29.700 0.007 0.000 1.278 65 E HN 0.819 nan 8.360 nan 0.000 0.456 66 R N -0.161 120.375 120.500 0.060 0.000 2.680 66 R HA 0.279 4.611 4.340 -0.014 0.000 0.269 66 R C -0.188 176.146 176.300 0.057 0.000 1.026 66 R CA -0.529 55.617 56.100 0.078 0.000 0.889 66 R CB 0.847 31.174 30.300 0.044 0.000 1.241 66 R HN 0.392 nan 8.270 nan 0.000 0.463 67 D N 2.158 122.598 120.400 0.066 0.000 1.971 67 D HA -0.078 4.554 4.640 -0.014 0.000 0.253 67 D C 1.587 177.905 176.300 0.030 0.000 1.019 67 D CA 1.445 55.471 54.000 0.042 0.000 0.947 67 D CB -1.195 39.631 40.800 0.043 0.000 1.256 67 D HN 0.657 nan 8.370 nan 0.000 0.493 68 G N -0.664 108.157 108.800 0.035 0.000 2.432 68 G HA2 -0.035 3.916 3.960 -0.014 0.000 0.219 68 G HA3 -0.035 3.916 3.960 -0.014 0.000 0.219 68 G C 0.681 175.590 174.900 0.014 0.000 1.135 68 G CA 0.925 46.038 45.100 0.021 0.000 0.767 68 G HN 0.402 nan 8.290 nan 0.000 0.550 69 S N -1.437 114.283 115.700 0.033 0.000 2.681 69 S HA 0.631 5.093 4.470 -0.014 0.000 0.299 69 S C -0.698 173.917 174.600 0.026 0.000 1.113 69 S CA -0.597 57.598 58.200 -0.008 0.000 1.013 69 S CB 2.501 65.661 63.200 -0.067 0.000 1.076 69 S HN 0.012 nan 8.310 nan 0.000 0.534 70 V N 2.518 122.405 119.914 -0.045 0.000 2.495 70 V HA 0.394 4.505 4.120 -0.014 0.000 0.298 70 V C -0.587 175.460 176.094 -0.079 0.000 1.031 70 V CA -0.666 61.633 62.300 -0.003 0.000 0.871 70 V CB 1.319 33.119 31.823 -0.038 0.000 0.988 70 V HN 0.815 nan 8.190 nan 0.000 0.432 71 H N 5.077 124.148 119.070 0.001 0.000 2.457 71 H HA 0.578 5.127 4.556 -0.012 0.000 0.335 71 H C -0.989 174.345 175.328 0.010 0.000 1.115 71 H CA -0.513 55.544 56.048 0.015 0.000 1.219 71 H CB 2.284 32.056 29.762 0.016 0.000 1.471 71 H HN 0.350 nan 8.280 nan 0.000 0.491 72 I N 2.577 123.211 120.570 0.107 0.000 2.533 72 I HA 0.061 4.222 4.170 -0.014 0.000 0.290 72 I C -0.314 175.857 176.117 0.089 0.000 1.056 72 I CA -0.550 60.795 61.300 0.074 0.000 1.057 72 I CB 2.071 40.095 38.000 0.040 0.000 1.240 72 I HN 0.549 nan 8.210 nan 0.000 0.423 73 D N 4.963 125.409 120.400 0.077 0.000 2.446 73 D HA 0.540 5.171 4.640 -0.014 0.000 0.251 73 D C 0.374 176.721 176.300 0.079 0.000 1.137 73 D CA -0.286 53.760 54.000 0.076 0.000 0.890 73 D CB 1.613 42.452 40.800 0.065 0.000 1.071 73 D HN 0.625 nan 8.370 nan 0.000 0.528 74 A N 3.968 126.847 122.820 0.098 0.000 2.337 74 A HA 0.104 4.416 4.320 -0.014 0.000 0.227 74 A C 1.865 179.543 177.584 0.156 0.000 1.259 74 A CA -0.109 52.006 52.037 0.131 0.000 0.870 74 A CB -0.100 18.995 19.000 0.159 0.000 0.927 74 A HN 0.528 nan 8.150 nan 0.000 0.497 75 R N 0.497 121.067 120.500 0.115 0.000 2.139 75 R HA -0.131 4.200 4.340 -0.014 0.000 0.243 75 R C 0.346 176.732 176.300 0.145 0.000 1.145 75 R CA 1.653 57.821 56.100 0.113 0.000 0.976 75 R CB -0.131 30.215 30.300 0.076 0.000 0.866 75 R HN 0.509 nan 8.270 nan 0.000 0.449 76 D N 0.203 120.675 120.400 0.120 0.000 2.369 76 D HA 0.055 4.686 4.640 -0.014 0.000 0.211 76 D C -0.047 176.298 176.300 0.074 0.000 1.077 76 D CA 0.015 54.072 54.000 0.095 0.000 0.842 76 D CB 0.506 41.335 40.800 0.049 0.000 0.947 76 D HN -0.088 nan 8.370 nan 0.000 0.509 77 V N 3.713 123.694 119.914 0.111 0.000 2.742 77 V HA -0.157 3.955 4.120 -0.014 0.000 0.302 77 V C 1.138 177.095 176.094 -0.228 0.000 1.133 77 V CA 0.951 63.236 62.300 -0.024 0.000 1.284 77 V CB -0.080 31.803 31.823 0.100 0.000 0.850 77 V HN 0.412 nan 8.190 nan 0.000 0.494 78 N N 2.440 120.856 118.700 -0.474 0.000 1.997 78 N HA 0.087 4.818 4.740 -0.014 0.000 0.225 78 N C -0.908 173.935 175.510 -1.112 0.000 1.383 78 N CA -0.104 52.558 53.050 -0.648 0.000 0.770 78 N CB 0.544 38.880 38.487 -0.251 0.000 1.178 78 N HN 0.361 nan 8.380 nan 0.000 0.515 79 V N 1.526 120.777 119.914 -1.105 0.000 2.540 79 V HA 0.510 4.621 4.120 -0.014 0.000 0.302 79 V C -0.754 174.793 176.094 -0.912 0.000 1.035 79 V CA -0.557 61.203 62.300 -0.900 0.000 0.873 79 V CB 1.475 33.060 31.823 -0.397 0.000 0.992 79 V HN 0.044 nan 8.190 nan 0.000 0.428 80 F N 1.942 121.814 119.950 -0.130 0.000 2.698 80 F HA 0.390 4.908 4.527 -0.015 0.000 0.304 80 F C 0.492 176.273 175.800 -0.032 0.000 1.108 80 F CA -0.456 57.481 58.000 -0.105 0.000 1.263 80 F CB 0.573 39.507 39.000 -0.110 0.000 1.013 80 F HN 0.434 nan 8.300 nan 0.000 0.532 81 C N 1.870 121.202 119.300 0.053 0.000 2.379 81 C HA 0.860 5.312 4.460 -0.014 0.000 0.323 81 C C 0.286 175.327 174.990 0.085 0.000 1.262 81 C CA -0.552 58.498 59.018 0.054 0.000 1.581 81 C CB -0.248 27.465 27.740 -0.045 0.000 2.221 81 C HN 0.401 nan 8.230 nan 0.000 0.497 82 A N 8.727 131.636 122.820 0.149 0.000 2.366 82 A HA 0.666 4.978 4.320 -0.014 0.000 0.322 82 A C -2.450 175.284 177.584 0.251 0.000 1.397 82 A CA -1.061 51.072 52.037 0.160 0.000 0.984 82 A CB 0.033 19.111 19.000 0.131 0.000 1.149 82 A HN 0.797 nan 8.150 nan 0.000 0.540 83 P HA 0.053 nan 4.420 nan 0.000 0.276 83 P C 0.453 177.909 177.300 0.260 0.000 1.244 83 P CA -0.238 63.074 63.100 0.353 0.000 0.801 83 P CB 0.588 32.419 31.700 0.218 0.000 1.006 84 Y N 2.261 122.652 120.300 0.150 0.000 2.151 84 Y HA -0.304 4.241 4.550 -0.008 0.000 0.284 84 Y C 1.828 177.729 175.900 0.001 0.000 1.166 84 Y CA 2.522 60.599 58.100 -0.038 0.000 1.163 84 Y CB -0.726 37.686 38.460 -0.081 0.000 0.974 84 Y HN 0.326 nan 8.280 nan 0.000 0.511 85 D N -0.010 120.491 120.400 0.170 0.000 2.228 85 D HA -0.246 4.386 4.640 -0.014 0.000 0.203 85 D C 2.032 178.310 176.300 -0.037 0.000 0.988 85 D CA 1.588 55.634 54.000 0.078 0.000 0.864 85 D CB -0.582 40.291 40.800 0.120 0.000 0.928 85 D HN 0.485 nan 8.370 nan 0.000 0.469 86 L N 0.013 121.219 121.223 -0.028 0.000 2.362 86 L HA -0.018 4.314 4.340 -0.014 0.000 0.204 86 L C 2.480 179.304 176.870 -0.077 0.000 1.060 86 L CA 0.148 54.972 54.840 -0.028 0.000 0.827 86 L CB 0.285 42.363 42.059 0.031 0.000 1.027 86 L HN -0.192 nan 8.230 nan 0.000 0.474 87 V N 1.133 120.980 119.914 -0.112 0.000 2.332 87 V HA -0.357 3.754 4.120 -0.014 0.000 0.248 87 V C 2.492 178.436 176.094 -0.251 0.000 1.055 87 V CA 2.341 64.543 62.300 -0.164 0.000 1.038 87 V CB -0.983 30.736 31.823 -0.174 0.000 0.651 87 V HN 0.586 nan 8.190 nan 0.000 0.450 88 K N 1.574 121.721 120.400 -0.422 0.000 2.160 88 K HA -0.242 4.070 4.320 -0.014 0.000 0.206 88 K C 1.853 178.318 176.600 -0.224 0.000 1.047 88 K CA 2.151 58.162 56.287 -0.461 0.000 0.930 88 K CB -0.759 31.287 32.500 -0.758 0.000 0.720 88 K HN 0.626 nan 8.250 nan 0.000 0.450 89 T N -2.172 112.290 114.554 -0.154 0.000 3.067 89 T HA 0.099 4.441 4.350 -0.014 0.000 0.257 89 T C 0.845 175.519 174.700 -0.043 0.000 1.105 89 T CA 0.091 62.148 62.100 -0.071 0.000 1.104 89 T CB 0.024 68.866 68.868 -0.044 0.000 0.925 89 T HN 0.320 nan 8.240 nan 0.000 0.498 90 M N 1.943 121.504 119.600 -0.065 0.000 2.284 90 M HA 0.333 4.805 4.480 -0.014 0.000 0.229 90 M C 0.496 176.735 176.300 -0.101 0.000 0.984 90 M CA -0.685 54.587 55.300 -0.048 0.000 1.016 90 M CB 1.370 33.982 32.600 0.020 0.000 2.379 90 M HN 0.129 nan 8.290 nan 0.000 0.459 91 R N 2.224 122.634 120.500 -0.150 0.000 2.235 91 R HA 0.091 4.423 4.340 -0.014 0.000 0.213 91 R C 1.207 177.313 176.300 -0.324 0.000 1.059 91 R CA 1.324 57.292 56.100 -0.221 0.000 0.997 91 R CB -0.433 29.737 30.300 -0.216 0.000 0.884 91 R HN 0.674 nan 8.270 nan 0.000 0.462 92 A N 2.105 124.738 122.820 -0.313 0.000 2.084 92 A HA -0.213 4.099 4.320 -0.014 0.000 0.221 92 A C 2.232 179.517 177.584 -0.498 0.000 1.161 92 A CA 1.788 53.542 52.037 -0.471 0.000 0.653 92 A CB -0.628 18.282 19.000 -0.150 0.000 0.802 92 A HN 0.637 nan 8.150 nan 0.000 0.457 93 S N -0.458 115.037 115.700 -0.341 0.000 2.537 93 S HA -0.108 4.353 4.470 -0.014 0.000 0.240 93 S C 1.556 175.904 174.600 -0.420 0.000 0.981 93 S CA 0.978 58.923 58.200 -0.424 0.000 0.948 93 S CB -0.686 62.485 63.200 -0.048 0.000 0.759 93 S HN 0.468 nan 8.310 nan 0.000 0.531 94 I N 0.849 121.173 120.570 -0.410 0.000 2.502 94 I HA -0.100 4.062 4.170 -0.014 0.000 0.258 94 I C 1.691 177.679 176.117 -0.215 0.000 1.172 94 I CA 1.034 62.125 61.300 -0.348 0.000 1.430 94 I CB -0.407 37.272 38.000 -0.536 0.000 1.086 94 I HN 0.366 nan 8.210 nan 0.000 0.440 95 W N 0.459 121.473 121.300 -0.476 0.000 2.611 95 W HA 0.035 4.660 4.660 -0.058 0.000 0.251 95 W C 2.444 178.797 176.519 -0.278 0.000 1.265 95 W CA 0.827 57.931 57.345 -0.401 0.000 1.295 95 W CB -1.096 28.066 29.460 -0.497 0.000 1.129 95 W HN 0.288 nan 8.180 nan 0.000 0.630 96 A N -0.259 122.490 122.820 -0.118 0.000 2.014 96 A HA -0.111 4.200 4.320 -0.014 0.000 0.218 96 A C 1.957 179.647 177.584 0.176 0.000 1.163 96 A CA 1.080 53.222 52.037 0.174 0.000 0.652 96 A CB -0.633 18.492 19.000 0.208 0.000 0.808 96 A HN 0.154 nan 8.150 nan 0.000 0.449 97 L N 0.167 121.462 121.223 0.121 0.000 1.976 97 L HA -0.046 4.285 4.340 -0.014 0.000 0.209 97 L C 2.434 179.395 176.870 0.151 0.000 1.071 97 L CA 2.475 57.391 54.840 0.127 0.000 0.746 97 L CB -1.165 40.948 42.059 0.090 0.000 0.890 97 L HN 0.292 nan 8.230 nan 0.000 0.432 98 G N -0.882 108.017 108.800 0.166 0.000 2.421 98 G HA2 -0.194 3.758 3.960 -0.014 0.000 0.216 98 G HA3 -0.194 3.758 3.960 -0.014 0.000 0.216 98 G C -0.590 174.393 174.900 0.139 0.000 1.171 98 G CA 0.902 46.091 45.100 0.148 0.000 0.775 98 G HN 0.371 nan 8.290 nan 0.000 0.543 99 P HA -0.080 nan 4.420 nan 0.000 0.214 99 P C 2.092 179.522 177.300 0.218 0.000 1.163 99 P CA 0.836 64.043 63.100 0.177 0.000 0.889 99 P CB -0.132 31.705 31.700 0.227 0.000 0.790 100 L N -1.365 120.026 121.223 0.279 0.000 2.046 100 L HA -0.141 4.190 4.340 -0.014 0.000 0.208 100 L C 2.498 179.528 176.870 0.268 0.000 1.077 100 L CA 1.198 56.275 54.840 0.396 0.000 0.747 100 L CB -1.124 41.133 42.059 0.331 0.000 0.896 100 L HN -0.110 nan 8.230 nan 0.000 0.432 101 V N -0.167 119.840 119.914 0.155 0.000 2.407 101 V HA -0.270 3.842 4.120 -0.014 0.000 0.248 101 V C 2.556 178.678 176.094 0.047 0.000 1.055 101 V CA 1.920 64.269 62.300 0.083 0.000 1.049 101 V CB -0.049 31.816 31.823 0.070 0.000 0.662 101 V HN 0.463 nan 8.190 nan 0.000 0.455 102 A N -0.601 122.248 122.820 0.049 0.000 1.930 102 A HA -0.116 4.196 4.320 -0.014 0.000 0.215 102 A C 2.356 179.906 177.584 -0.058 0.000 1.176 102 A CA 1.585 53.625 52.037 0.004 0.000 0.632 102 A CB -0.435 18.576 19.000 0.018 0.000 0.819 102 A HN 0.522 nan 8.150 nan 0.000 0.445 103 R N -2.274 118.168 120.500 -0.097 0.000 2.112 103 R HA 0.115 4.447 4.340 -0.014 0.000 0.216 103 R C 0.696 176.691 176.300 -0.509 0.000 1.080 103 R CA 1.095 56.988 56.100 -0.346 0.000 0.996 103 R CB -0.053 29.931 30.300 -0.527 0.000 0.902 103 R HN 0.448 nan 8.270 nan 0.000 0.449 104 F N -0.974 118.933 119.950 -0.072 0.000 2.682 104 F HA 0.386 4.904 4.527 -0.016 0.000 0.308 104 F C 1.346 176.997 175.800 -0.248 0.000 1.093 104 F CA 0.367 58.247 58.000 -0.200 0.000 1.244 104 F CB 1.292 40.047 39.000 -0.409 0.000 1.052 104 F HN 0.246 nan 8.300 nan 0.000 0.573 105 G N 1.104 109.889 108.800 -0.024 0.000 2.196 105 G HA2 -0.293 3.658 3.960 -0.014 0.000 0.268 105 G HA3 -0.293 3.658 3.960 -0.014 0.000 0.268 105 G C 0.159 175.025 174.900 -0.057 0.000 0.975 105 G CA 0.748 45.824 45.100 -0.040 0.000 0.648 105 G HN 0.521 nan 8.290 nan 0.000 0.538 106 Q N -1.706 118.036 119.800 -0.096 0.000 2.462 106 Q HA 0.677 5.009 4.340 -0.014 0.000 0.285 106 Q C -0.493 175.490 176.000 -0.028 0.000 1.035 106 Q CA -0.654 55.094 55.803 -0.090 0.000 0.799 106 Q CB 2.006 30.645 28.738 -0.165 0.000 1.452 106 Q HN 1.494 nan 8.270 nan 0.000 0.404 107 G N 1.210 110.040 108.800 0.051 0.000 2.657 107 G HA2 0.436 4.387 3.960 -0.014 0.000 0.303 107 G HA3 0.436 4.387 3.960 -0.014 0.000 0.303 107 G C -1.990 172.979 174.900 0.116 0.000 1.457 107 G CA -0.572 44.602 45.100 0.124 0.000 0.982 107 G HN 0.394 nan 8.290 nan 0.000 0.583 108 Q N 0.153 120.034 119.800 0.136 0.000 2.325 108 Q HA 0.691 5.022 4.340 -0.014 0.000 0.270 108 Q C -0.505 175.610 176.000 0.191 0.000 1.020 108 Q CA -0.703 55.184 55.803 0.140 0.000 0.785 108 Q CB 3.085 31.862 28.738 0.066 0.000 1.259 108 Q HN 0.491 nan 8.270 nan 0.000 0.452 109 V N 1.094 121.136 119.914 0.214 0.000 2.638 109 V HA 0.435 4.547 4.120 -0.014 0.000 0.306 109 V C -0.203 175.991 176.094 0.166 0.000 1.052 109 V CA -0.981 61.433 62.300 0.190 0.000 0.885 109 V CB 2.161 34.017 31.823 0.055 0.000 0.999 109 V HN 0.789 nan 8.190 nan 0.000 0.424 110 S N 4.204 119.944 115.700 0.065 0.000 2.575 110 S HA 0.143 4.605 4.470 -0.014 0.000 0.295 110 S C -0.007 174.492 174.600 -0.168 0.000 1.267 110 S CA -0.279 57.722 58.200 -0.332 0.000 1.074 110 S CB -0.047 62.951 63.200 -0.337 0.000 0.829 110 S HN 0.631 nan 8.310 nan 0.000 0.497 111 L N 7.368 128.497 121.223 -0.156 0.000 2.500 111 L HA 0.233 4.565 4.340 -0.014 0.000 0.272 111 L C -2.012 174.791 176.870 -0.112 0.000 1.149 111 L CA -1.474 53.302 54.840 -0.107 0.000 0.897 111 L CB 0.417 42.432 42.059 -0.073 0.000 1.178 111 L HN 0.533 nan 8.230 nan 0.000 0.473 112 P HA 0.033 nan 4.420 nan 0.000 0.264 112 P C 0.158 177.403 177.300 -0.092 0.000 1.193 112 P CA 0.052 63.067 63.100 -0.142 0.000 0.763 112 P CB 0.716 32.312 31.700 -0.175 0.000 0.810 113 G N 2.500 111.259 108.800 -0.069 0.000 2.504 113 G HA2 0.452 4.404 3.960 -0.014 0.000 0.257 113 G HA3 0.452 4.404 3.960 -0.014 0.000 0.257 113 G C 0.400 175.275 174.900 -0.041 0.000 1.451 113 G CA -0.277 44.805 45.100 -0.029 0.000 1.059 113 G HN 0.601 nan 8.290 nan 0.000 0.550 114 G N -2.211 106.575 108.800 -0.023 0.000 2.684 114 G HA2 0.392 4.344 3.960 -0.014 0.000 0.255 114 G HA3 0.392 4.344 3.960 -0.014 0.000 0.255 114 G C -0.507 174.367 174.900 -0.044 0.000 1.219 114 G CA 0.418 45.502 45.100 -0.026 0.000 0.901 114 G HN 0.970 nan 8.290 nan 0.000 0.548 115 C N -0.683 118.587 119.300 -0.051 0.000 2.888 115 C HA 0.582 5.033 4.460 -0.014 0.000 0.308 115 C C 1.991 176.936 174.990 -0.076 0.000 1.213 115 C CA 0.258 59.229 59.018 -0.079 0.000 1.461 115 C CB 0.734 28.398 27.740 -0.127 0.000 1.934 115 C HN 0.929 nan 8.230 nan 0.000 0.474 116 T N 3.515 118.022 114.554 -0.078 0.000 2.624 116 T HA -0.288 4.053 4.350 -0.014 0.000 0.266 116 T C 1.460 176.101 174.700 -0.100 0.000 1.050 116 T CA 2.740 64.792 62.100 -0.081 0.000 1.163 116 T CB -0.448 68.354 68.868 -0.109 0.000 0.861 116 T HN 0.897 nan 8.240 nan 0.000 0.443 117 I N -1.306 119.161 120.570 -0.172 0.000 3.419 117 I HA 0.471 4.633 4.170 -0.014 0.000 0.286 117 I C 0.942 176.994 176.117 -0.109 0.000 1.268 117 I CA 0.136 61.317 61.300 -0.198 0.000 1.414 117 I CB -0.070 37.709 38.000 -0.368 0.000 1.074 117 I HN 0.305 nan 8.210 nan 0.000 0.457 118 G N -0.137 108.624 108.800 -0.066 0.000 2.349 118 G HA2 0.460 4.412 3.960 -0.014 0.000 0.294 118 G HA3 0.460 4.412 3.960 -0.014 0.000 0.294 118 G C 0.046 174.964 174.900 0.031 0.000 1.380 118 G CA -0.241 44.891 45.100 0.053 0.000 0.811 118 G HN 0.015 nan 8.290 nan 0.000 0.519 119 A N -0.471 122.382 122.820 0.055 0.000 1.969 119 A HA 0.270 4.582 4.320 -0.014 0.000 0.218 119 A C 1.472 179.071 177.584 0.026 0.000 1.169 119 A CA 1.692 53.747 52.037 0.029 0.000 0.635 119 A CB -0.548 18.470 19.000 0.030 0.000 0.810 119 A HN 1.318 nan 8.150 nan 0.000 0.445 120 R N -1.123 119.420 120.500 0.073 0.000 3.146 120 R HA -0.117 4.215 4.340 -0.014 0.000 0.250 120 R C -2.408 173.905 176.300 0.021 0.000 0.912 120 R CA 0.408 56.555 56.100 0.079 0.000 0.633 120 R CB -2.013 28.315 30.300 0.046 0.000 1.180 120 R HN 0.523 nan 8.270 nan 0.000 0.464 121 P HA 0.084 nan 4.420 nan 0.000 0.274 121 P C 0.601 177.910 177.300 0.014 0.000 1.256 121 P CA -0.149 62.956 63.100 0.008 0.000 0.795 121 P CB 0.782 32.492 31.700 0.017 0.000 1.038 122 V N -3.421 116.492 119.914 -0.002 0.000 3.078 122 V HA 0.105 4.216 4.120 -0.014 0.000 0.344 122 V C 1.343 177.501 176.094 0.106 0.000 1.409 122 V CA 0.133 62.447 62.300 0.024 0.000 1.146 122 V CB -0.528 31.133 31.823 -0.271 0.000 1.126 122 V HN 0.505 nan 8.190 nan 0.000 0.513 123 D N 1.412 121.854 120.400 0.070 0.000 2.190 123 D HA -0.267 4.365 4.640 -0.014 0.000 0.200 123 D C 1.718 178.064 176.300 0.076 0.000 0.992 123 D CA 1.663 55.699 54.000 0.059 0.000 0.854 123 D CB -0.025 40.796 40.800 0.035 0.000 0.936 123 D HN 0.550 nan 8.370 nan 0.000 0.462 124 L N -0.134 121.146 121.223 0.095 0.000 2.156 124 L HA -0.085 4.247 4.340 -0.014 0.000 0.208 124 L C 2.778 179.673 176.870 0.041 0.000 1.095 124 L CA 0.762 55.629 54.840 0.044 0.000 0.770 124 L CB -0.521 41.536 42.059 -0.002 0.000 0.914 124 L HN 0.116 nan 8.230 nan 0.000 0.439 125 H N -0.115 118.964 119.070 0.015 0.000 2.299 125 H HA -0.125 4.419 4.556 -0.021 0.000 0.302 125 H C 2.433 177.777 175.328 0.027 0.000 1.078 125 H CA 1.688 57.754 56.048 0.029 0.000 1.323 125 H CB 0.077 29.848 29.762 0.016 0.000 1.381 125 H HN 0.293 nan 8.280 nan 0.000 0.498 126 I N 0.277 120.946 120.570 0.165 0.000 2.163 126 I HA -0.272 3.890 4.170 -0.014 0.000 0.243 126 I C 2.872 179.028 176.117 0.065 0.000 1.085 126 I CA 1.082 62.437 61.300 0.091 0.000 1.347 126 I CB -0.236 37.801 38.000 0.062 0.000 1.044 126 I HN 0.116 nan 8.210 nan 0.000 0.408 127 S N 0.434 116.166 115.700 0.054 0.000 2.382 127 S HA -0.131 4.330 4.470 -0.014 0.000 0.228 127 S C 2.118 176.734 174.600 0.026 0.000 1.027 127 S CA 1.528 59.746 58.200 0.031 0.000 0.991 127 S CB -0.655 62.557 63.200 0.020 0.000 0.823 127 S HN 0.580 nan 8.310 nan 0.000 0.469 128 G N 1.480 110.298 108.800 0.029 0.000 2.421 128 G HA2 -0.098 3.854 3.960 -0.014 0.000 0.216 128 G HA3 -0.098 3.854 3.960 -0.014 0.000 0.216 128 G C 1.363 176.282 174.900 0.032 0.000 1.171 128 G CA 0.848 45.960 45.100 0.020 0.000 0.775 128 G HN 0.525 nan 8.290 nan 0.000 0.543 129 L N 0.057 121.311 121.223 0.051 0.000 2.141 129 L HA 0.023 4.355 4.340 -0.014 0.000 0.209 129 L C 2.774 179.668 176.870 0.039 0.000 1.094 129 L CA 0.867 55.738 54.840 0.052 0.000 0.763 129 L CB -0.399 41.702 42.059 0.071 0.000 0.908 129 L HN 0.277 nan 8.230 nan 0.000 0.437 130 E N 0.072 120.294 120.200 0.036 0.000 2.106 130 E HA -0.245 4.096 4.350 -0.014 0.000 0.192 130 E C 2.173 178.786 176.600 0.022 0.000 0.984 130 E CA 0.941 57.357 56.400 0.028 0.000 0.806 130 E CB -0.040 29.675 29.700 0.025 0.000 0.750 130 E HN 0.516 nan 8.360 nan 0.000 0.458 131 Q N 0.090 119.902 119.800 0.020 0.000 2.291 131 Q HA -0.056 4.276 4.340 -0.014 0.000 0.205 131 Q C 1.824 177.835 176.000 0.019 0.000 0.970 131 Q CA 0.591 56.404 55.803 0.016 0.000 0.876 131 Q CB 0.159 28.902 28.738 0.010 0.000 0.935 131 Q HN 0.305 nan 8.270 nan 0.000 0.455 132 L N -1.582 119.653 121.223 0.021 0.000 2.558 132 L HA 0.152 4.484 4.340 -0.014 0.000 0.225 132 L C 1.096 177.976 176.870 0.017 0.000 1.128 132 L CA 0.516 55.369 54.840 0.020 0.000 0.868 132 L CB 0.284 42.357 42.059 0.023 0.000 1.006 132 L HN 0.363 nan 8.230 nan 0.000 0.454 133 G N -0.215 108.595 108.800 0.017 0.000 2.159 133 G HA2 -0.154 3.798 3.960 -0.014 0.000 0.170 133 G HA3 -0.154 3.798 3.960 -0.014 0.000 0.170 133 G C 0.237 175.146 174.900 0.015 0.000 1.007 133 G CA -0.218 44.891 45.100 0.014 0.000 0.672 133 G HN 0.387 nan 8.290 nan 0.000 0.507 134 A N 0.699 123.531 122.820 0.021 0.000 2.366 134 A HA 0.709 5.020 4.320 -0.014 0.000 0.272 134 A C 0.673 178.271 177.584 0.023 0.000 1.135 134 A CA 0.813 52.864 52.037 0.023 0.000 0.804 134 A CB 0.398 19.418 19.000 0.033 0.000 1.064 134 A HN 0.753 nan 8.150 nan 0.000 0.499 135 T N 2.887 117.453 114.554 0.021 0.000 2.817 135 T HA 0.551 4.892 4.350 -0.014 0.000 0.293 135 T C -0.184 174.532 174.700 0.027 0.000 0.964 135 T CA 0.315 62.428 62.100 0.021 0.000 1.085 135 T CB 0.189 69.066 68.868 0.016 0.000 0.921 135 T HN 0.426 nan 8.240 nan 0.000 0.502 136 I N 3.603 124.191 120.570 0.029 0.000 2.512 136 I HA 0.387 4.549 4.170 -0.014 0.000 0.287 136 I C -0.041 176.096 176.117 0.034 0.000 1.069 136 I CA -0.901 60.421 61.300 0.036 0.000 1.056 136 I CB 1.794 39.818 38.000 0.040 0.000 1.229 136 I HN 0.622 nan 8.210 nan 0.000 0.429 137 K N 5.547 125.970 120.400 0.038 0.000 2.346 137 K HA 0.824 5.136 4.320 -0.014 0.000 0.238 137 K C -1.534 175.095 176.600 0.047 0.000 1.039 137 K CA -1.009 55.300 56.287 0.037 0.000 0.861 137 K CB 2.565 35.085 32.500 0.034 0.000 1.278 137 K HN 0.347 nan 8.250 nan 0.000 0.460 138 L N 0.903 122.152 121.223 0.044 0.000 2.342 138 L HA 0.403 4.735 4.340 -0.014 0.000 0.276 138 L C -1.516 175.389 176.870 0.058 0.000 0.997 138 L CA 0.066 54.938 54.840 0.054 0.000 0.838 138 L CB 1.571 43.649 42.059 0.033 0.000 1.224 138 L HN 0.741 nan 8.230 nan 0.000 0.416 139 E N 3.603 123.856 120.200 0.088 0.000 2.224 139 E HA 0.410 4.751 4.350 -0.014 0.000 0.265 139 E C -0.530 176.150 176.600 0.133 0.000 0.878 139 E CA -0.481 55.969 56.400 0.084 0.000 0.759 139 E CB 1.482 31.225 29.700 0.072 0.000 1.164 139 E HN 0.635 nan 8.360 nan 0.000 0.414 140 E N 1.232 121.490 120.200 0.097 0.000 2.971 140 E HA -0.281 4.060 4.350 -0.014 0.000 0.278 140 E C 0.654 177.317 176.600 0.106 0.000 1.009 140 E CA 0.782 57.249 56.400 0.111 0.000 0.862 140 E CB -1.634 28.161 29.700 0.158 0.000 1.436 140 E HN 1.017 nan 8.360 nan 0.000 0.434 141 G N -1.662 107.162 108.800 0.040 0.000 2.157 141 G HA2 -0.363 3.589 3.960 -0.014 0.000 0.248 141 G HA3 -0.363 3.589 3.960 -0.014 0.000 0.248 141 G C -0.229 174.557 174.900 -0.189 0.000 0.979 141 G CA 0.237 45.289 45.100 -0.080 0.000 0.650 141 G HN 0.308 nan 8.290 nan 0.000 0.529 142 Y N -0.348 119.969 120.300 0.029 0.000 2.342 142 Y HA 0.534 5.076 4.550 -0.013 0.000 0.334 142 Y C 0.764 176.679 175.900 0.024 0.000 1.067 142 Y CA -0.906 57.214 58.100 0.034 0.000 1.128 142 Y CB 2.000 40.482 38.460 0.037 0.000 1.200 142 Y HN 0.055 nan 8.280 nan 0.000 0.464 143 V N 4.856 124.858 119.914 0.147 0.000 2.427 143 V HA 0.182 4.294 4.120 -0.014 0.000 0.268 143 V C -0.372 175.797 176.094 0.124 0.000 1.046 143 V CA -0.745 61.613 62.300 0.098 0.000 0.970 143 V CB 0.039 31.892 31.823 0.050 0.000 1.001 143 V HN 0.626 nan 8.190 nan 0.000 0.476 144 K N 4.326 124.786 120.400 0.101 0.000 2.339 144 K HA 0.780 5.091 4.320 -0.014 0.000 0.264 144 K C -0.380 176.256 176.600 0.061 0.000 0.986 144 K CA -0.269 56.069 56.287 0.084 0.000 0.866 144 K CB 2.126 34.670 32.500 0.073 0.000 1.103 144 K HN 0.739 nan 8.250 nan 0.000 0.441 145 A N 1.855 124.710 122.820 0.059 0.000 2.350 145 A HA 0.753 5.065 4.320 -0.014 0.000 0.324 145 A C -0.664 176.940 177.584 0.034 0.000 1.118 145 A CA -0.665 51.401 52.037 0.049 0.000 0.783 145 A CB 1.144 20.180 19.000 0.059 0.000 1.236 145 A HN 0.683 nan 8.150 nan 0.000 0.457 146 S N 0.127 115.841 115.700 0.024 0.000 2.537 146 S HA 0.765 5.227 4.470 -0.014 0.000 0.270 146 S C -0.990 173.614 174.600 0.007 0.000 1.142 146 S CA -0.619 57.587 58.200 0.008 0.000 0.870 146 S CB 1.193 64.395 63.200 0.004 0.000 1.112 146 S HN 1.246 nan 8.310 nan 0.000 0.466 147 V N 0.742 120.655 119.914 -0.002 0.000 2.823 147 V HA 0.583 4.695 4.120 -0.014 0.000 0.312 147 V C -0.955 175.134 176.094 -0.009 0.000 1.072 147 V CA -0.800 61.498 62.300 -0.003 0.000 0.937 147 V CB 1.944 33.765 31.823 -0.003 0.000 1.013 147 V HN 0.980 nan 8.190 nan 0.000 0.430 148 D N 1.883 122.279 120.400 -0.006 0.000 2.339 148 D HA 0.551 5.183 4.640 -0.014 0.000 0.241 148 D C 0.654 176.948 176.300 -0.010 0.000 1.183 148 D CA 2.018 56.013 54.000 -0.008 0.000 0.859 148 D CB 0.856 41.653 40.800 -0.004 0.000 1.067 148 D HN 1.103 nan 8.370 nan 0.000 0.484 149 G N 3.981 112.772 108.800 -0.015 0.000 2.498 149 G HA2 -0.226 3.725 3.960 -0.014 0.000 0.245 149 G HA3 -0.226 3.725 3.960 -0.014 0.000 0.245 149 G C -0.082 174.804 174.900 -0.024 0.000 1.204 149 G CA 0.046 45.135 45.100 -0.018 0.000 0.933 149 G HN 0.794 nan 8.290 nan 0.000 0.574 150 R N -0.311 120.175 120.500 -0.024 0.000 2.607 150 R HA 0.797 5.128 4.340 -0.014 0.000 0.261 150 R C 0.735 177.026 176.300 -0.015 0.000 1.051 150 R CA -1.010 55.075 56.100 -0.026 0.000 1.110 150 R CB 0.751 31.031 30.300 -0.033 0.000 1.158 150 R HN 0.545 nan 8.270 nan 0.000 0.543 151 L N 0.525 121.741 121.223 -0.012 0.000 2.474 151 L HA 0.185 4.516 4.340 -0.014 0.000 0.259 151 L C 0.358 177.227 176.870 -0.003 0.000 1.232 151 L CA 0.143 54.982 54.840 -0.002 0.000 0.821 151 L CB 0.270 42.331 42.059 0.003 0.000 1.108 151 L HN 0.594 nan 8.230 nan 0.000 0.495 152 K N 0.387 120.789 120.400 0.003 0.000 2.426 152 K HA 0.341 4.653 4.320 -0.014 0.000 0.254 152 K C -0.280 176.325 176.600 0.008 0.000 0.936 152 K CA -0.594 55.695 56.287 0.003 0.000 0.801 152 K CB 1.914 34.417 32.500 0.004 0.000 1.139 152 K HN 0.735 nan 8.250 nan 0.000 0.424 153 G N 1.228 110.031 108.800 0.006 0.000 2.484 153 G HA2 0.398 4.349 3.960 -0.014 0.000 0.235 153 G HA3 0.398 4.349 3.960 -0.014 0.000 0.235 153 G C -0.615 174.298 174.900 0.022 0.000 1.282 153 G CA -0.141 44.966 45.100 0.011 0.000 0.857 153 G HN 0.605 nan 8.290 nan 0.000 0.571 154 A N 1.070 123.912 122.820 0.036 0.000 2.587 154 A HA 0.576 4.888 4.320 -0.014 0.000 0.293 154 A C -1.079 176.570 177.584 0.109 0.000 1.087 154 A CA -0.768 51.305 52.037 0.060 0.000 0.692 154 A CB 1.503 20.529 19.000 0.045 0.000 1.291 154 A HN 0.890 nan 8.150 nan 0.000 0.407 155 H N 1.206 120.274 119.070 -0.003 0.000 2.911 155 H HA 0.594 5.141 4.556 -0.014 0.000 0.273 155 H C -0.996 174.330 175.328 -0.003 0.000 1.157 155 H CA -0.443 55.603 56.048 -0.003 0.000 1.402 155 H CB -0.263 29.497 29.762 -0.003 0.000 1.463 155 H HN 0.416 nan 8.280 nan 0.000 0.475 156 I N 6.190 126.764 120.570 0.007 0.000 2.355 156 I HA 0.170 4.331 4.170 -0.014 0.000 0.288 156 I C -0.563 175.481 176.117 -0.123 0.000 0.999 156 I CA -0.920 60.339 61.300 -0.069 0.000 1.163 156 I CB 1.654 39.647 38.000 -0.011 0.000 1.316 156 I HN 0.250 nan 8.210 nan 0.000 0.454 157 V N 7.141 126.954 119.914 -0.168 0.000 2.347 157 V HA 0.329 4.441 4.120 -0.014 0.000 0.280 157 V C 0.174 176.221 176.094 -0.079 0.000 1.021 157 V CA -0.556 61.659 62.300 -0.141 0.000 0.847 157 V CB 1.371 33.090 31.823 -0.174 0.000 0.990 157 V HN 0.652 nan 8.190 nan 0.000 0.444 158 M N 3.417 122.985 119.600 -0.054 0.000 2.185 158 M HA 0.256 4.728 4.480 -0.014 0.000 0.357 158 M C 1.097 177.376 176.300 -0.035 0.000 1.260 158 M CA 0.174 55.450 55.300 -0.040 0.000 1.124 158 M CB 0.617 33.198 32.600 -0.032 0.000 1.600 158 M HN 0.571 nan 8.290 nan 0.000 0.467 159 D N 2.958 123.340 120.400 -0.031 0.000 2.117 159 D HA -0.048 4.584 4.640 -0.014 0.000 0.197 159 D C -0.152 176.133 176.300 -0.025 0.000 0.987 159 D CA 1.463 55.448 54.000 -0.026 0.000 0.829 159 D CB 0.380 41.168 40.800 -0.020 0.000 0.961 159 D HN 0.515 nan 8.370 nan 0.000 0.460 160 K N -0.862 119.523 120.400 -0.026 0.000 2.443 160 K HA 0.460 4.772 4.320 -0.014 0.000 0.251 160 K C -0.958 175.624 176.600 -0.030 0.000 0.972 160 K CA -0.870 55.400 56.287 -0.029 0.000 0.833 160 K CB 3.083 35.564 32.500 -0.032 0.000 1.317 160 K HN -0.348 nan 8.250 nan 0.000 0.441 161 V N 1.817 121.711 119.914 -0.032 0.000 2.446 161 V HA 0.106 4.218 4.120 -0.014 0.000 0.276 161 V C -0.170 175.906 176.094 -0.031 0.000 1.030 161 V CA 0.234 62.519 62.300 -0.026 0.000 1.033 161 V CB 0.747 32.556 31.823 -0.023 0.000 0.993 161 V HN 0.717 nan 8.190 nan 0.000 0.477 162 S N 4.253 119.940 115.700 -0.022 0.000 2.647 162 S HA 0.387 4.849 4.470 -0.014 0.000 0.300 162 S C 0.620 175.230 174.600 0.017 0.000 1.129 162 S CA -0.662 57.529 58.200 -0.014 0.000 1.029 162 S CB 1.840 65.019 63.200 -0.036 0.000 1.007 162 S HN 0.345 nan 8.310 nan 0.000 0.484 163 V N 5.434 125.383 119.914 0.058 0.000 2.255 163 V HA -0.091 4.020 4.120 -0.014 0.000 0.247 163 V C 2.629 178.856 176.094 0.222 0.000 1.051 163 V CA 2.707 65.085 62.300 0.129 0.000 1.018 163 V CB -1.204 30.715 31.823 0.161 0.000 0.641 163 V HN 0.950 nan 8.190 nan 0.000 0.445 164 G N -0.881 108.044 108.800 0.207 0.000 2.404 164 G HA2 -0.147 3.804 3.960 -0.014 0.000 0.215 164 G HA3 -0.147 3.804 3.960 -0.014 0.000 0.215 164 G C 1.775 176.682 174.900 0.012 0.000 1.174 164 G CA 0.978 46.262 45.100 0.307 0.000 0.780 164 G HN 0.617 nan 8.290 nan 0.000 0.537 165 A N 0.301 122.848 122.820 -0.456 0.000 1.902 165 A HA -0.026 4.286 4.320 -0.014 0.000 0.217 165 A C 2.520 179.996 177.584 -0.180 0.000 1.181 165 A CA 2.483 54.151 52.037 -0.615 0.000 0.623 165 A CB -1.005 17.771 19.000 -0.374 0.000 0.818 165 A HN 0.293 nan 8.150 nan 0.000 0.443 166 T N -0.257 114.266 114.554 -0.052 0.000 2.708 166 T HA -0.134 4.208 4.350 -0.014 0.000 0.266 166 T C 1.905 176.615 174.700 0.016 0.000 1.037 166 T CA 1.669 63.765 62.100 -0.006 0.000 1.146 166 T CB -0.491 68.386 68.868 0.014 0.000 0.865 166 T HN 0.160 nan 8.240 nan 0.000 0.435 167 V N 1.402 121.357 119.914 0.068 0.000 2.287 167 V HA -0.223 3.889 4.120 -0.014 0.000 0.248 167 V C 2.784 178.891 176.094 0.022 0.000 1.053 167 V CA 2.136 64.431 62.300 -0.009 0.000 1.027 167 V CB -1.190 30.554 31.823 -0.132 0.000 0.646 167 V HN 0.526 nan 8.190 nan 0.000 0.447 168 T N 0.147 114.806 114.554 0.175 0.000 2.684 168 T HA -0.135 4.206 4.350 -0.014 0.000 0.267 168 T C 1.774 176.527 174.700 0.089 0.000 1.036 168 T CA 1.941 64.167 62.100 0.211 0.000 1.148 168 T CB -0.285 68.761 68.868 0.296 0.000 0.863 168 T HN 0.373 nan 8.240 nan 0.000 0.436 169 I N 0.428 121.019 120.570 0.035 0.000 2.439 169 I HA -0.088 4.074 4.170 -0.014 0.000 0.251 169 I C 2.499 178.626 176.117 0.017 0.000 1.139 169 I CA 0.963 62.277 61.300 0.023 0.000 1.438 169 I CB -0.320 37.682 38.000 0.003 0.000 1.085 169 I HN 0.259 nan 8.210 nan 0.000 0.427 170 M N 0.064 119.667 119.600 0.005 0.000 2.132 170 M HA -0.216 4.255 4.480 -0.014 0.000 0.263 170 M C 2.459 178.754 176.300 -0.009 0.000 1.065 170 M CA 1.881 57.177 55.300 -0.007 0.000 1.122 170 M CB -0.107 32.480 32.600 -0.021 0.000 1.365 170 M HN 0.351 nan 8.290 nan 0.000 0.411 171 C N 0.351 119.646 119.300 -0.008 0.000 2.462 171 C HA -0.027 4.425 4.460 -0.014 0.000 0.278 171 C C 2.967 177.969 174.990 0.019 0.000 1.253 171 C CA 0.914 59.933 59.018 0.003 0.000 1.713 171 C CB -1.544 26.199 27.740 0.005 0.000 2.049 171 C HN 0.726 nan 8.230 nan 0.000 0.477 172 A N 0.930 123.772 122.820 0.036 0.000 1.892 172 A HA -0.085 4.227 4.320 -0.014 0.000 0.218 172 A C 2.334 179.927 177.584 0.015 0.000 1.188 172 A CA 2.390 54.449 52.037 0.036 0.000 0.631 172 A CB -1.054 17.975 19.000 0.049 0.000 0.822 172 A HN 0.654 nan 8.150 nan 0.000 0.447 173 A N -0.432 122.394 122.820 0.011 0.000 2.125 173 A HA -0.038 4.274 4.320 -0.014 0.000 0.219 173 A C 2.251 179.829 177.584 -0.009 0.000 1.156 173 A CA 2.199 54.237 52.037 0.003 0.000 0.671 173 A CB -1.295 17.708 19.000 0.004 0.000 0.794 173 A HN 0.864 nan 8.150 nan 0.000 0.459 174 T N -2.441 112.104 114.554 -0.014 0.000 2.962 174 T HA 0.048 4.389 4.350 -0.014 0.000 0.270 174 T C 1.217 175.898 174.700 -0.033 0.000 1.088 174 T CA 1.344 63.427 62.100 -0.028 0.000 1.127 174 T CB -0.291 68.554 68.868 -0.038 0.000 0.883 174 T HN 0.336 nan 8.240 nan 0.000 0.493 175 L N 0.413 121.619 121.223 -0.028 0.000 2.959 175 L HA 0.560 4.892 4.340 -0.014 0.000 0.259 175 L C 1.135 177.987 176.870 -0.031 0.000 1.185 175 L CA -0.627 54.190 54.840 -0.038 0.000 0.998 175 L CB -0.044 41.984 42.059 -0.052 0.000 1.337 175 L HN 0.236 nan 8.230 nan 0.000 0.555 176 A N 1.221 124.029 122.820 -0.020 0.000 2.351 176 A HA 0.285 4.597 4.320 -0.014 0.000 0.257 176 A C 0.418 177.993 177.584 -0.017 0.000 1.087 176 A CA -0.349 51.679 52.037 -0.014 0.000 0.798 176 A CB 0.178 19.174 19.000 -0.005 0.000 1.033 176 A HN 0.430 nan 8.150 nan 0.000 0.488 177 E N 1.546 121.737 120.200 -0.014 0.000 2.344 177 E HA 0.463 4.805 4.350 -0.014 0.000 0.270 177 E C 0.546 177.140 176.600 -0.011 0.000 1.021 177 E CA -0.041 56.350 56.400 -0.014 0.000 0.887 177 E CB 0.320 30.012 29.700 -0.013 0.000 0.997 177 E HN 1.776 nan 8.360 nan 0.000 0.429 178 G N 2.948 111.741 108.800 -0.013 0.000 2.587 178 G HA2 -0.197 3.755 3.960 -0.014 0.000 0.212 178 G HA3 -0.197 3.755 3.960 -0.014 0.000 0.212 178 G C -0.563 174.330 174.900 -0.012 0.000 1.327 178 G CA -0.312 44.781 45.100 -0.012 0.000 0.898 178 G HN 0.712 nan 8.290 nan 0.000 0.551 179 T N 0.938 115.485 114.554 -0.012 0.000 2.829 179 T HA 0.663 5.005 4.350 -0.014 0.000 0.282 179 T C -0.016 174.683 174.700 -0.002 0.000 0.990 179 T CA 0.199 62.291 62.100 -0.013 0.000 1.028 179 T CB 1.642 70.495 68.868 -0.024 0.000 0.951 179 T HN 0.746 nan 8.240 nan 0.000 0.460 180 T N 3.423 117.980 114.554 0.004 0.000 2.792 180 T HA 0.600 4.942 4.350 -0.014 0.000 0.280 180 T C -0.388 174.330 174.700 0.029 0.000 0.990 180 T CA -0.471 61.642 62.100 0.022 0.000 0.960 180 T CB 0.422 69.301 68.868 0.018 0.000 0.939 180 T HN 0.336 nan 8.240 nan 0.000 0.439 181 I N 3.677 124.289 120.570 0.069 0.000 2.406 181 I HA 0.469 4.631 4.170 -0.014 0.000 0.290 181 I C -0.352 175.842 176.117 0.129 0.000 0.999 181 I CA -0.483 60.876 61.300 0.097 0.000 1.124 181 I CB 1.539 39.594 38.000 0.091 0.000 1.289 181 I HN 0.538 nan 8.210 nan 0.000 0.441 182 I N 5.409 126.024 120.570 0.075 0.000 2.328 182 I HA 0.340 4.501 4.170 -0.014 0.000 0.287 182 I C 0.063 176.208 176.117 0.047 0.000 1.012 182 I CA -0.538 60.791 61.300 0.048 0.000 1.195 182 I CB 0.867 38.880 38.000 0.021 0.000 1.350 182 I HN 0.488 nan 8.210 nan 0.000 0.464 183 E N 6.014 126.235 120.200 0.035 0.000 2.231 183 E HA 0.170 4.512 4.350 -0.014 0.000 0.277 183 E C 0.095 176.695 176.600 -0.001 0.000 0.999 183 E CA -0.293 56.123 56.400 0.027 0.000 0.827 183 E CB 1.458 31.174 29.700 0.027 0.000 1.101 183 E HN 0.661 nan 8.360 nan 0.000 0.393 184 N N 1.029 119.732 118.700 0.004 0.000 2.780 184 N HA -0.220 4.511 4.740 -0.014 0.000 0.248 184 N C -0.718 174.791 175.510 -0.003 0.000 1.102 184 N CA 0.194 53.242 53.050 -0.003 0.000 0.697 184 N CB -0.463 38.016 38.487 -0.014 0.000 1.028 184 N HN 0.477 nan 8.380 nan 0.000 0.554 185 A N 0.350 123.173 122.820 0.006 0.000 2.406 185 A HA 0.618 4.930 4.320 -0.014 0.000 0.243 185 A C 0.852 178.444 177.584 0.014 0.000 1.082 185 A CA 0.445 52.486 52.037 0.008 0.000 0.786 185 A CB 0.579 19.586 19.000 0.012 0.000 1.029 185 A HN 0.595 nan 8.150 nan 0.000 0.495 186 A N 0.768 123.599 122.820 0.018 0.000 2.371 186 A HA 0.518 4.830 4.320 -0.014 0.000 0.257 186 A C 0.793 178.404 177.584 0.044 0.000 1.089 186 A CA -0.347 51.710 52.037 0.032 0.000 0.794 186 A CB 0.124 19.147 19.000 0.039 0.000 1.029 186 A HN 0.813 nan 8.150 nan 0.000 0.488 187 R N 0.402 120.945 120.500 0.072 0.000 2.472 187 R HA 0.147 4.478 4.340 -0.014 0.000 0.279 187 R C -0.534 175.833 176.300 0.113 0.000 0.953 187 R CA -0.239 55.918 56.100 0.095 0.000 1.088 187 R CB 0.222 30.590 30.300 0.114 0.000 1.197 187 R HN 0.737 nan 8.270 nan 0.000 0.536 188 E N 1.724 121.960 120.200 0.059 0.000 2.534 188 E HA -0.076 4.266 4.350 -0.014 0.000 0.264 188 E C -1.611 174.892 176.600 -0.161 0.000 0.981 188 E CA -0.978 55.361 56.400 -0.100 0.000 0.948 188 E CB 0.385 30.058 29.700 -0.045 0.000 0.934 188 E HN -0.074 nan 8.360 nan 0.000 0.459 189 P HA -0.144 nan 4.420 nan 0.000 0.219 189 P C 0.237 177.486 177.300 -0.085 0.000 1.146 189 P CA 1.121 64.113 63.100 -0.180 0.000 0.808 189 P CB 0.293 31.859 31.700 -0.224 0.000 0.779 190 E N -1.118 119.033 120.200 -0.083 0.000 2.347 190 E HA -0.053 4.289 4.350 -0.014 0.000 0.196 190 E C 1.844 178.418 176.600 -0.043 0.000 1.008 190 E CA 0.571 56.946 56.400 -0.041 0.000 0.852 190 E CB -0.597 29.093 29.700 -0.017 0.000 0.783 190 E HN 0.254 nan 8.360 nan 0.000 0.505 191 I N -0.168 120.380 120.570 -0.036 0.000 2.480 191 I HA -0.133 4.028 4.170 -0.014 0.000 0.251 191 I C 1.910 178.008 176.117 -0.031 0.000 1.124 191 I CA 0.645 61.925 61.300 -0.032 0.000 1.444 191 I CB -0.533 37.463 38.000 -0.007 0.000 1.098 191 I HN 0.028 nan 8.210 nan 0.000 0.428 192 V N 1.053 120.956 119.914 -0.018 0.000 2.295 192 V HA -0.279 3.833 4.120 -0.014 0.000 0.246 192 V C 2.237 178.336 176.094 0.009 0.000 1.049 192 V CA 2.043 64.343 62.300 -0.000 0.000 1.024 192 V CB -0.684 31.146 31.823 0.011 0.000 0.648 192 V HN 0.284 nan 8.190 nan 0.000 0.447 193 D N 0.052 120.466 120.400 0.023 0.000 2.104 193 D HA -0.151 4.480 4.640 -0.014 0.000 0.194 193 D C 2.320 178.579 176.300 -0.068 0.000 0.994 193 D CA 1.950 55.991 54.000 0.068 0.000 0.830 193 D CB -0.238 40.620 40.800 0.096 0.000 0.959 193 D HN 0.405 nan 8.370 nan 0.000 0.452 194 T N -0.173 114.330 114.554 -0.086 0.000 2.708 194 T HA -0.117 4.225 4.350 -0.014 0.000 0.266 194 T C 1.939 176.592 174.700 -0.078 0.000 1.037 194 T CA 1.479 63.511 62.100 -0.113 0.000 1.146 194 T CB -0.477 68.291 68.868 -0.166 0.000 0.865 194 T HN 0.207 nan 8.240 nan 0.000 0.435 195 A N 2.567 125.342 122.820 -0.074 0.000 1.883 195 A HA -0.196 4.115 4.320 -0.014 0.000 0.217 195 A C 2.237 179.756 177.584 -0.108 0.000 1.186 195 A CA 1.736 53.731 52.037 -0.070 0.000 0.624 195 A CB -0.682 18.292 19.000 -0.044 0.000 0.822 195 A HN 0.393 nan 8.150 nan 0.000 0.444 196 N N -1.233 117.396 118.700 -0.118 0.000 2.244 196 N HA -0.089 4.643 4.740 -0.014 0.000 0.183 196 N C 1.350 176.614 175.510 -0.409 0.000 1.016 196 N CA 1.262 54.233 53.050 -0.132 0.000 0.866 196 N CB -0.586 37.937 38.487 0.060 0.000 0.980 196 N HN 0.566 nan 8.380 nan 0.000 0.430 197 F N 1.867 121.279 119.950 -0.896 0.000 2.075 197 F HA -0.074 4.450 4.527 -0.005 0.000 0.297 197 F C 1.981 177.550 175.800 -0.385 0.000 1.113 197 F CA 1.171 58.609 58.000 -0.937 0.000 1.218 197 F CB -0.521 37.998 39.000 -0.801 0.000 0.984 197 F HN -0.089 nan 8.300 nan 0.000 0.472 198 L N 0.084 121.093 121.223 -0.357 0.000 2.081 198 L HA -0.275 4.056 4.340 -0.014 0.000 0.212 198 L C 2.533 179.217 176.870 -0.310 0.000 1.080 198 L CA 1.587 56.226 54.840 -0.335 0.000 0.754 198 L CB -0.791 41.190 42.059 -0.131 0.000 0.893 198 L HN 0.256 nan 8.230 nan 0.000 0.433 199 I N -0.606 119.825 120.570 -0.233 0.000 2.142 199 I HA -0.285 3.877 4.170 -0.014 0.000 0.240 199 I C 2.495 178.511 176.117 -0.168 0.000 1.078 199 I CA 1.619 62.824 61.300 -0.158 0.000 1.343 199 I CB -0.580 37.363 38.000 -0.094 0.000 1.046 199 I HN 0.243 nan 8.210 nan 0.000 0.405 200 T N 1.600 116.037 114.554 -0.194 0.000 2.714 200 T HA -0.211 4.131 4.350 -0.014 0.000 0.268 200 T C 1.714 176.279 174.700 -0.226 0.000 1.036 200 T CA 1.400 63.399 62.100 -0.169 0.000 1.148 200 T CB -0.386 68.410 68.868 -0.119 0.000 0.856 200 T HN 0.309 nan 8.240 nan 0.000 0.462 201 L N -0.151 120.862 121.223 -0.349 0.000 2.492 201 L HA 0.276 4.607 4.340 -0.014 0.000 0.223 201 L C 1.879 178.644 176.870 -0.174 0.000 1.132 201 L CA 0.534 55.202 54.840 -0.288 0.000 0.850 201 L CB -0.312 41.515 42.059 -0.386 0.000 0.966 201 L HN 0.519 nan 8.230 nan 0.000 0.454 202 G N 0.029 108.738 108.800 -0.151 0.000 2.145 202 G HA2 -0.087 3.865 3.960 -0.014 0.000 0.145 202 G HA3 -0.087 3.865 3.960 -0.014 0.000 0.145 202 G C 0.124 174.968 174.900 -0.093 0.000 1.017 202 G CA -0.205 44.834 45.100 -0.102 0.000 0.682 202 G HN 0.413 nan 8.290 nan 0.000 0.504 203 A N -0.067 122.686 122.820 -0.111 0.000 2.293 203 A HA 0.799 5.111 4.320 -0.014 0.000 0.302 203 A C 0.313 177.854 177.584 -0.071 0.000 1.119 203 A CA -0.318 51.666 52.037 -0.089 0.000 0.823 203 A CB 0.685 19.625 19.000 -0.100 0.000 1.097 203 A HN 0.332 nan 8.150 nan 0.000 0.491 204 K N 1.464 121.831 120.400 -0.054 0.000 2.347 204 K HA 0.575 4.887 4.320 -0.014 0.000 0.262 204 K C -1.427 175.151 176.600 -0.037 0.000 1.052 204 K CA 0.417 56.679 56.287 -0.042 0.000 0.946 204 K CB 0.784 33.263 32.500 -0.035 0.000 1.220 204 K HN 0.567 nan 8.250 nan 0.000 0.450 205 I N 1.786 122.334 120.570 -0.037 0.000 2.534 205 I HA 0.223 4.385 4.170 -0.014 0.000 0.288 205 I C -0.360 175.743 176.117 -0.023 0.000 1.077 205 I CA -0.643 60.638 61.300 -0.030 0.000 1.051 205 I CB 2.190 40.167 38.000 -0.038 0.000 1.234 205 I HN 0.536 nan 8.210 nan 0.000 0.425 206 S N 2.901 118.591 115.700 -0.016 0.000 2.634 206 S HA 0.860 5.322 4.470 -0.014 0.000 0.296 206 S C 0.494 175.091 174.600 -0.005 0.000 1.104 206 S CA 0.015 58.209 58.200 -0.010 0.000 0.920 206 S CB 2.052 65.246 63.200 -0.010 0.000 1.111 206 S HN 1.324 nan 8.310 nan 0.000 0.493 207 G N 0.739 109.539 108.800 -0.001 0.000 2.176 207 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.253 207 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.253 207 G C 0.125 175.030 174.900 0.008 0.000 0.979 207 G CA 0.233 45.336 45.100 0.004 0.000 0.641 207 G HN 1.255 nan 8.290 nan 0.000 0.530 208 Q N 0.246 120.048 119.800 0.004 0.000 2.361 208 Q HA 0.393 4.725 4.340 -0.014 0.000 0.276 208 Q C 1.281 177.290 176.000 0.016 0.000 1.022 208 Q CA 0.988 56.794 55.803 0.006 0.000 0.898 208 Q CB 0.899 29.635 28.738 -0.004 0.000 1.246 208 Q HN 1.798 nan 8.270 nan 0.000 0.410 209 G N 2.120 110.934 108.800 0.024 0.000 2.253 209 G HA2 -0.331 3.621 3.960 -0.014 0.000 0.251 209 G HA3 -0.331 3.621 3.960 -0.014 0.000 0.251 209 G C 0.314 175.242 174.900 0.046 0.000 0.998 209 G CA 0.653 45.778 45.100 0.043 0.000 0.621 209 G HN 1.199 nan 8.290 nan 0.000 0.524 210 T N -1.705 112.867 114.554 0.030 0.000 2.937 210 T HA 0.552 4.894 4.350 -0.014 0.000 0.283 210 T C 1.020 175.734 174.700 0.023 0.000 1.012 210 T CA 0.657 62.772 62.100 0.025 0.000 0.997 210 T CB 1.697 70.575 68.868 0.017 0.000 1.136 210 T HN 0.267 nan 8.240 nan 0.000 0.551 211 D N -0.930 119.481 120.400 0.019 0.000 2.363 211 D HA -0.016 4.615 4.640 -0.014 0.000 0.220 211 D C 0.745 177.057 176.300 0.020 0.000 0.994 211 D CA 0.266 54.276 54.000 0.017 0.000 0.890 211 D CB -0.024 40.783 40.800 0.012 0.000 0.906 211 D HN 0.589 nan 8.370 nan 0.000 0.530 212 R N 0.546 121.059 120.500 0.022 0.000 2.435 212 R HA 0.499 4.831 4.340 -0.014 0.000 0.308 212 R C -1.234 175.078 176.300 0.021 0.000 0.975 212 R CA -0.641 55.476 56.100 0.028 0.000 0.867 212 R CB 0.642 30.962 30.300 0.033 0.000 1.171 212 R HN -0.001 nan 8.270 nan 0.000 0.470 213 I N 4.596 125.179 120.570 0.021 0.000 2.359 213 I HA 0.342 4.504 4.170 -0.014 0.000 0.294 213 I C -0.428 175.697 176.117 0.014 0.000 0.987 213 I CA -1.091 60.216 61.300 0.012 0.000 1.225 213 I CB 2.040 40.044 38.000 0.007 0.000 1.366 213 I HN 0.242 nan 8.210 nan 0.000 0.466 214 V N 7.212 127.128 119.914 0.003 0.000 2.495 214 V HA 0.490 4.601 4.120 -0.014 0.000 0.298 214 V C -0.339 175.750 176.094 -0.009 0.000 1.031 214 V CA -0.500 61.799 62.300 -0.003 0.000 0.871 214 V CB 1.764 33.580 31.823 -0.013 0.000 0.988 214 V HN 0.427 nan 8.190 nan 0.000 0.432 215 I N 3.465 124.030 120.570 -0.008 0.000 2.466 215 I HA 0.493 4.654 4.170 -0.014 0.000 0.289 215 I C -0.364 175.743 176.117 -0.017 0.000 1.026 215 I CA -0.519 60.773 61.300 -0.015 0.000 1.078 215 I CB 1.993 39.985 38.000 -0.013 0.000 1.249 215 I HN 0.511 nan 8.210 nan 0.000 0.429 216 E N 3.958 124.145 120.200 -0.022 0.000 2.109 216 E HA 0.572 4.913 4.350 -0.014 0.000 0.278 216 E C 0.100 176.684 176.600 -0.026 0.000 0.954 216 E CA -0.345 56.041 56.400 -0.023 0.000 0.779 216 E CB 1.263 30.948 29.700 -0.025 0.000 1.093 216 E HN 0.710 nan 8.360 nan 0.000 0.401 217 G N 2.717 111.503 108.800 -0.024 0.000 2.441 217 G HA2 0.406 4.358 3.960 -0.014 0.000 0.243 217 G HA3 0.406 4.358 3.960 -0.014 0.000 0.243 217 G C -0.133 174.748 174.900 -0.031 0.000 1.281 217 G CA -0.003 45.081 45.100 -0.026 0.000 0.854 217 G HN 0.462 nan 8.290 nan 0.000 0.560 218 V N 0.163 120.055 119.914 -0.037 0.000 3.096 218 V HA 0.558 4.670 4.120 -0.014 0.000 0.319 218 V C 1.199 177.268 176.094 -0.042 0.000 1.103 218 V CA -0.524 61.752 62.300 -0.039 0.000 1.016 218 V CB 1.964 33.760 31.823 -0.045 0.000 1.090 218 V HN 0.814 nan 8.190 nan 0.000 0.449 219 E N 1.015 121.190 120.200 -0.041 0.000 2.208 219 E HA -0.033 4.308 4.350 -0.014 0.000 0.193 219 E C 0.715 177.282 176.600 -0.056 0.000 0.988 219 E CA 0.633 57.007 56.400 -0.044 0.000 0.828 219 E CB 0.354 30.032 29.700 -0.037 0.000 0.763 219 E HN 0.710 nan 8.360 nan 0.000 0.478 220 R N -0.186 120.280 120.500 -0.056 0.000 2.633 220 R HA 0.277 4.608 4.340 -0.014 0.000 0.255 220 R C -1.805 174.458 176.300 -0.062 0.000 1.106 220 R CA -0.544 55.519 56.100 -0.062 0.000 0.959 220 R CB 0.710 30.979 30.300 -0.052 0.000 1.259 220 R HN 0.036 nan 8.270 nan 0.000 0.453 221 L N 2.614 123.797 121.223 -0.067 0.000 2.334 221 L HA 0.633 4.964 4.340 -0.014 0.000 0.272 221 L C 1.105 177.936 176.870 -0.066 0.000 1.020 221 L CA -0.671 54.123 54.840 -0.076 0.000 0.812 221 L CB 1.848 43.853 42.059 -0.090 0.000 1.264 221 L HN 0.918 nan 8.230 nan 0.000 0.439 222 G N 0.212 108.965 108.800 -0.078 0.000 3.137 222 G HA2 0.630 4.582 3.960 -0.014 0.000 0.163 222 G HA3 0.630 4.582 3.960 -0.014 0.000 0.163 222 G C -0.122 174.744 174.900 -0.056 0.000 1.602 222 G CA 0.256 45.322 45.100 -0.058 0.000 1.067 222 G HN 0.776 nan 8.290 nan 0.000 0.568 223 G N -3.031 105.738 108.800 -0.052 0.000 2.975 223 G HA2 0.733 4.684 3.960 -0.014 0.000 0.291 223 G HA3 0.733 4.684 3.960 -0.014 0.000 0.291 223 G C -0.475 174.395 174.900 -0.051 0.000 1.334 223 G CA 0.073 45.153 45.100 -0.032 0.000 0.843 223 G HN 1.817 nan 8.290 nan 0.000 0.548 224 G N -2.568 106.230 108.800 -0.003 0.000 2.336 224 G HA2 0.522 4.473 3.960 -0.014 0.000 0.300 224 G HA3 0.522 4.473 3.960 -0.014 0.000 0.300 224 G C -1.891 173.052 174.900 0.072 0.000 1.375 224 G CA -0.021 45.085 45.100 0.010 0.000 0.885 224 G HN 1.229 nan 8.290 nan 0.000 0.599 225 V N 0.281 120.245 119.914 0.084 0.000 2.581 225 V HA 0.794 4.906 4.120 -0.014 0.000 0.303 225 V C -0.924 175.282 176.094 0.186 0.000 1.041 225 V CA -0.593 61.767 62.300 0.099 0.000 0.907 225 V CB 1.618 33.463 31.823 0.037 0.000 0.994 225 V HN 0.959 nan 8.190 nan 0.000 0.442 226 Y N 3.851 124.198 120.300 0.079 0.000 2.399 226 Y HA 0.519 5.057 4.550 -0.020 0.000 0.327 226 Y C -0.329 175.600 175.900 0.049 0.000 1.111 226 Y CA -0.803 57.362 58.100 0.109 0.000 1.047 226 Y CB 1.360 40.004 38.460 0.307 0.000 1.259 226 Y HN 0.654 nan 8.280 nan 0.000 0.434 227 R N 5.241 125.360 120.500 -0.635 0.000 2.254 227 R HA 0.619 4.951 4.340 -0.014 0.000 0.318 227 R C -1.390 174.687 176.300 -0.372 0.000 1.031 227 R CA -0.476 55.401 56.100 -0.371 0.000 0.905 227 R CB 0.856 30.993 30.300 -0.270 0.000 1.050 227 R HN 0.589 nan 8.270 nan 0.000 0.456 228 V N 6.824 126.681 119.914 -0.094 0.000 2.614 228 V HA 0.065 4.176 4.120 -0.014 0.000 0.291 228 V C 0.836 176.920 176.094 -0.017 0.000 1.049 228 V CA -0.352 61.959 62.300 0.018 0.000 1.038 228 V CB 0.863 32.695 31.823 0.016 0.000 0.980 228 V HN 0.716 nan 8.190 nan 0.000 0.481 229 L N 5.647 126.881 121.223 0.019 0.000 2.479 229 L HA 0.423 4.755 4.340 -0.014 0.000 0.270 229 L C -2.315 174.552 176.870 -0.005 0.000 1.236 229 L CA -1.292 53.547 54.840 -0.001 0.000 0.823 229 L CB -0.352 41.716 42.059 0.014 0.000 1.098 229 L HN 0.353 nan 8.230 nan 0.000 0.500 230 P HA -0.014 nan 4.420 nan 0.000 0.269 230 P C -1.108 176.193 177.300 0.003 0.000 1.209 230 P CA 0.027 63.129 63.100 0.004 0.000 0.776 230 P CB 0.331 32.039 31.700 0.014 0.000 0.876 231 D N 2.539 122.944 120.400 0.007 0.000 2.344 231 D HA -0.014 4.617 4.640 -0.014 0.000 0.253 231 D C 1.355 177.660 176.300 0.008 0.000 1.255 231 D CA -0.050 53.946 54.000 -0.007 0.000 0.894 231 D CB 0.502 41.287 40.800 -0.024 0.000 1.067 231 D HN 0.342 nan 8.370 nan 0.000 0.492 232 R N 3.886 124.381 120.500 -0.009 0.000 2.148 232 R HA -0.102 4.230 4.340 -0.014 0.000 0.223 232 R C 1.305 177.612 176.300 0.011 0.000 1.088 232 R CA 0.471 56.573 56.100 0.003 0.000 0.985 232 R CB -0.101 30.186 30.300 -0.022 0.000 0.880 232 R HN 0.321 nan 8.270 nan 0.000 0.451 233 I N 1.934 122.494 120.570 -0.018 0.000 2.286 233 I HA -0.123 4.039 4.170 -0.014 0.000 0.245 233 I C 2.509 178.642 176.117 0.025 0.000 1.104 233 I CA 1.119 62.409 61.300 -0.017 0.000 1.397 233 I CB -1.338 36.628 38.000 -0.057 0.000 1.072 233 I HN 0.318 nan 8.210 nan 0.000 0.417 234 E N 0.894 121.092 120.200 -0.004 0.000 2.070 234 E HA -0.236 4.106 4.350 -0.014 0.000 0.197 234 E C 2.057 178.839 176.600 0.304 0.000 1.004 234 E CA 2.461 58.950 56.400 0.148 0.000 0.805 234 E CB 0.141 29.938 29.700 0.162 0.000 0.744 234 E HN 0.444 nan 8.360 nan 0.000 0.451 235 T N -0.287 114.401 114.554 0.224 0.000 2.652 235 T HA -0.158 4.184 4.350 -0.014 0.000 0.267 235 T C 1.783 176.612 174.700 0.215 0.000 1.039 235 T CA 1.308 63.548 62.100 0.234 0.000 1.153 235 T CB -0.874 68.078 68.868 0.140 0.000 0.863 235 T HN 0.423 nan 8.240 nan 0.000 0.428 236 G N 1.246 110.137 108.800 0.151 0.000 2.469 236 G HA2 -0.275 3.676 3.960 -0.014 0.000 0.219 236 G HA3 -0.275 3.676 3.960 -0.014 0.000 0.219 236 G C 1.726 176.707 174.900 0.136 0.000 1.150 236 G CA 1.652 46.846 45.100 0.155 0.000 0.763 236 G HN 0.480 nan 8.290 nan 0.000 0.561 237 T N 0.948 115.558 114.554 0.094 0.000 2.720 237 T HA -0.109 4.233 4.350 -0.014 0.000 0.268 237 T C 2.052 176.672 174.700 -0.134 0.000 1.037 237 T CA 1.316 63.392 62.100 -0.040 0.000 1.144 237 T CB -0.314 68.517 68.868 -0.061 0.000 0.864 237 T HN 0.232 nan 8.240 nan 0.000 0.444 238 F N 0.788 120.794 119.950 0.094 0.000 2.206 238 F HA 0.195 4.713 4.527 -0.015 0.000 0.298 238 F C 2.099 177.921 175.800 0.038 0.000 1.090 238 F CA 0.307 58.342 58.000 0.058 0.000 1.323 238 F CB -0.679 38.363 39.000 0.069 0.000 1.028 238 F HN 0.070 nan 8.300 nan 0.000 0.492 239 L N -0.832 120.519 121.223 0.212 0.000 2.012 239 L HA -0.229 4.102 4.340 -0.014 0.000 0.210 239 L C 2.398 179.293 176.870 0.042 0.000 1.073 239 L CA 0.878 55.794 54.840 0.126 0.000 0.748 239 L CB -0.887 41.253 42.059 0.136 0.000 0.891 239 L HN -0.047 nan 8.230 nan 0.000 0.431 240 V N 0.060 119.967 119.914 -0.012 0.000 2.343 240 V HA -0.322 3.789 4.120 -0.014 0.000 0.247 240 V C 2.780 178.822 176.094 -0.087 0.000 1.051 240 V CA 1.803 64.022 62.300 -0.135 0.000 1.036 240 V CB -0.908 30.783 31.823 -0.221 0.000 0.654 240 V HN 0.503 nan 8.190 nan 0.000 0.451 241 A N -0.001 122.792 122.820 -0.045 0.000 1.917 241 A HA -0.230 4.081 4.320 -0.014 0.000 0.219 241 A C 2.412 179.999 177.584 0.006 0.000 1.182 241 A CA 2.537 54.562 52.037 -0.021 0.000 0.633 241 A CB -0.833 18.178 19.000 0.019 0.000 0.819 241 A HN 0.607 nan 8.150 nan 0.000 0.448 242 A N -0.446 122.395 122.820 0.034 0.000 1.898 242 A HA 0.239 4.550 4.320 -0.014 0.000 0.216 242 A C 2.517 180.097 177.584 -0.006 0.000 1.181 242 A CA 1.922 53.972 52.037 0.023 0.000 0.620 242 A CB -1.058 17.966 19.000 0.039 0.000 0.819 242 A HN 1.145 nan 8.150 nan 0.000 0.442 243 A N 0.555 123.363 122.820 -0.019 0.000 1.978 243 A HA -0.107 4.205 4.320 -0.014 0.000 0.220 243 A C 2.002 179.559 177.584 -0.045 0.000 1.170 243 A CA 1.602 53.617 52.037 -0.037 0.000 0.636 243 A CB -0.780 18.180 19.000 -0.068 0.000 0.810 243 A HN 1.024 nan 8.150 nan 0.000 0.448 244 I N -2.939 117.599 120.570 -0.053 0.000 3.883 244 I HA 0.133 4.295 4.170 -0.014 0.000 0.326 244 I C 1.312 177.414 176.117 -0.025 0.000 1.283 244 I CA 1.044 62.316 61.300 -0.046 0.000 1.161 244 I CB 0.257 38.221 38.000 -0.060 0.000 1.012 244 I HN 0.225 nan 8.210 nan 0.000 0.421 245 S N 0.576 116.265 115.700 -0.018 0.000 2.593 245 S HA 0.352 4.813 4.470 -0.014 0.000 0.236 245 S C 0.740 175.337 174.600 -0.005 0.000 0.991 245 S CA -0.599 57.596 58.200 -0.009 0.000 0.963 245 S CB -0.089 63.108 63.200 -0.006 0.000 0.865 245 S HN 0.546 nan 8.310 nan 0.000 0.488 246 R N 0.226 120.722 120.500 -0.006 0.000 3.418 246 R HA -0.109 4.223 4.340 -0.014 0.000 0.274 246 R C 0.493 176.789 176.300 -0.008 0.000 1.108 246 R CA 0.409 56.508 56.100 -0.002 0.000 0.741 246 R CB -2.189 28.113 30.300 0.004 0.000 1.223 246 R HN 0.633 nan 8.270 nan 0.000 0.434 247 G N 0.645 109.437 108.800 -0.013 0.000 2.820 247 G HA2 0.642 4.594 3.960 -0.014 0.000 0.291 247 G HA3 0.642 4.594 3.960 -0.014 0.000 0.291 247 G C -0.713 174.167 174.900 -0.032 0.000 1.323 247 G CA -0.755 44.336 45.100 -0.015 0.000 1.055 247 G HN 0.134 nan 8.290 nan 0.000 0.520 248 K N -0.921 119.461 120.400 -0.029 0.000 2.378 248 K HA 0.763 5.075 4.320 -0.014 0.000 0.252 248 K C -1.546 175.048 176.600 -0.011 0.000 0.931 248 K CA -0.795 55.469 56.287 -0.038 0.000 0.794 248 K CB 2.668 35.132 32.500 -0.061 0.000 1.181 248 K HN 0.451 nan 8.250 nan 0.000 0.425 249 I N 2.803 123.378 120.570 0.008 0.000 2.994 249 I HA 0.482 4.644 4.170 -0.014 0.000 0.306 249 I C -1.581 174.558 176.117 0.036 0.000 1.195 249 I CA -1.503 59.810 61.300 0.022 0.000 1.001 249 I CB 2.176 40.209 38.000 0.055 0.000 1.244 249 I HN 0.680 nan 8.210 nan 0.000 0.437 250 I N 4.576 125.157 120.570 0.019 0.000 2.512 250 I HA 0.267 4.428 4.170 -0.014 0.000 0.287 250 I C -0.867 175.273 176.117 0.039 0.000 1.069 250 I CA -0.458 60.867 61.300 0.042 0.000 1.056 250 I CB 1.353 39.325 38.000 -0.047 0.000 1.229 250 I HN 0.455 nan 8.210 nan 0.000 0.429 251 C N 6.248 125.613 119.300 0.108 0.000 2.255 251 C HA 0.495 4.947 4.460 -0.014 0.000 0.326 251 C C 0.888 175.952 174.990 0.123 0.000 1.258 251 C CA -0.715 58.353 59.018 0.082 0.000 1.676 251 C CB 0.271 28.080 27.740 0.115 0.000 2.314 251 C HN 0.645 nan 8.230 nan 0.000 0.509 252 R N 1.956 122.492 120.500 0.059 0.000 2.536 252 R HA 0.287 4.619 4.340 -0.014 0.000 0.279 252 R C 0.367 176.707 176.300 0.066 0.000 1.001 252 R CA -0.331 55.815 56.100 0.078 0.000 1.027 252 R CB 0.485 30.794 30.300 0.015 0.000 1.096 252 R HN 0.881 nan 8.270 nan 0.000 0.502 253 N N -0.509 118.238 118.700 0.079 0.000 2.725 253 N HA -0.227 4.504 4.740 -0.014 0.000 0.251 253 N C -0.772 174.769 175.510 0.052 0.000 1.031 253 N CA 0.276 53.358 53.050 0.054 0.000 0.720 253 N CB -0.573 37.930 38.487 0.026 0.000 0.930 253 N HN 0.620 nan 8.380 nan 0.000 0.543 254 A N 0.648 123.512 122.820 0.073 0.000 2.252 254 A HA 0.497 4.809 4.320 -0.014 0.000 0.305 254 A C 0.361 177.959 177.584 0.023 0.000 1.097 254 A CA -0.253 51.817 52.037 0.055 0.000 0.849 254 A CB 1.071 20.116 19.000 0.075 0.000 1.142 254 A HN 0.353 nan 8.150 nan 0.000 0.499 255 Q N 0.460 120.267 119.800 0.011 0.000 2.771 255 Q HA 0.324 4.656 4.340 -0.014 0.000 0.247 255 Q C -2.276 173.718 176.000 -0.010 0.000 0.986 255 Q CA -1.791 54.008 55.803 -0.007 0.000 0.713 255 Q CB 1.226 29.961 28.738 -0.005 0.000 1.241 255 Q HN 0.419 nan 8.270 nan 0.000 0.488 256 P HA -0.184 nan 4.420 nan 0.000 0.218 256 P C 0.511 177.804 177.300 -0.010 0.000 1.146 256 P CA 1.377 64.457 63.100 -0.034 0.000 0.813 256 P CB 0.192 31.835 31.700 -0.094 0.000 0.778 257 D N -1.322 119.073 120.400 -0.008 0.000 2.371 257 D HA -0.107 4.525 4.640 -0.014 0.000 0.221 257 D C 1.223 177.559 176.300 0.060 0.000 0.986 257 D CA 1.211 55.220 54.000 0.016 0.000 0.899 257 D CB -1.460 39.345 40.800 0.008 0.000 0.902 257 D HN 0.203 nan 8.370 nan 0.000 0.530 258 T N -2.469 112.116 114.554 0.050 0.000 3.100 258 T HA 0.145 4.486 4.350 -0.014 0.000 0.253 258 T C 1.306 176.077 174.700 0.117 0.000 1.118 258 T CA -0.006 62.140 62.100 0.076 0.000 1.058 258 T CB -0.222 68.641 68.868 -0.009 0.000 0.953 258 T HN 0.214 nan 8.240 nan 0.000 0.515 259 L N 0.256 121.523 121.223 0.073 0.000 3.358 259 L HA 0.358 4.690 4.340 -0.014 0.000 0.301 259 L C 0.909 177.802 176.870 0.037 0.000 1.276 259 L CA -0.274 54.594 54.840 0.047 0.000 1.028 259 L CB 0.586 42.669 42.059 0.041 0.000 1.421 259 L HN -0.047 nan 8.230 nan 0.000 0.604 260 D N 1.696 122.116 120.400 0.034 0.000 2.160 260 D HA -0.272 4.360 4.640 -0.014 0.000 0.189 260 D C 2.142 178.455 176.300 0.022 0.000 1.003 260 D CA 2.073 56.083 54.000 0.017 0.000 0.846 260 D CB 0.173 40.970 40.800 -0.004 0.000 0.949 260 D HN 0.398 nan 8.370 nan 0.000 0.446 261 A N 0.270 123.093 122.820 0.005 0.000 1.877 261 A HA -0.149 4.163 4.320 -0.014 0.000 0.216 261 A C 2.601 180.239 177.584 0.090 0.000 1.186 261 A CA 1.689 53.751 52.037 0.042 0.000 0.620 261 A CB -0.802 18.221 19.000 0.038 0.000 0.822 261 A HN 0.172 nan 8.150 nan 0.000 0.443 262 V N 0.263 120.183 119.914 0.011 0.000 2.295 262 V HA -0.269 3.842 4.120 -0.014 0.000 0.246 262 V C 2.567 178.788 176.094 0.212 0.000 1.049 262 V CA 2.022 64.362 62.300 0.066 0.000 1.024 262 V CB -0.828 30.995 31.823 -0.001 0.000 0.648 262 V HN 0.570 nan 8.190 nan 0.000 0.447 263 L N 0.084 121.390 121.223 0.138 0.000 2.093 263 L HA -0.115 4.216 4.340 -0.014 0.000 0.208 263 L C 2.760 179.711 176.870 0.134 0.000 1.085 263 L CA 1.412 56.334 54.840 0.137 0.000 0.755 263 L CB -0.894 41.214 42.059 0.083 0.000 0.904 263 L HN 0.358 nan 8.230 nan 0.000 0.435 264 A N -0.085 122.801 122.820 0.110 0.000 1.940 264 A HA -0.189 4.123 4.320 -0.014 0.000 0.219 264 A C 2.356 180.017 177.584 0.127 0.000 1.176 264 A CA 1.500 53.595 52.037 0.096 0.000 0.631 264 A CB -0.268 18.771 19.000 0.066 0.000 0.814 264 A HN 0.186 nan 8.150 nan 0.000 0.446 265 K N -0.334 120.171 120.400 0.176 0.000 2.103 265 K HA 0.067 4.378 4.320 -0.014 0.000 0.204 265 K C 1.858 178.655 176.600 0.329 0.000 1.052 265 K CA 0.925 57.347 56.287 0.225 0.000 0.945 265 K CB -0.572 32.041 32.500 0.188 0.000 0.722 265 K HN 0.551 nan 8.250 nan 0.000 0.443 266 L N 0.389 121.833 121.223 0.368 0.000 2.141 266 L HA -0.112 4.220 4.340 -0.014 0.000 0.209 266 L C 2.548 179.515 176.870 0.162 0.000 1.094 266 L CA 0.984 55.983 54.840 0.265 0.000 0.763 266 L CB -0.245 41.953 42.059 0.232 0.000 0.908 266 L HN 0.123 nan 8.230 nan 0.000 0.437 267 R N 0.062 120.648 120.500 0.144 0.000 2.070 267 R HA -0.151 4.181 4.340 -0.014 0.000 0.233 267 R C 1.846 178.203 176.300 0.096 0.000 1.137 267 R CA 1.605 57.768 56.100 0.105 0.000 0.945 267 R CB -0.437 29.915 30.300 0.087 0.000 0.845 267 R HN 0.331 nan 8.270 nan 0.000 0.430 268 D N 0.561 121.022 120.400 0.101 0.000 2.228 268 D HA -0.155 4.477 4.640 -0.014 0.000 0.203 268 D C 1.417 177.767 176.300 0.084 0.000 0.988 268 D CA 1.377 55.428 54.000 0.084 0.000 0.864 268 D CB -0.101 40.747 40.800 0.081 0.000 0.928 268 D HN 0.303 nan 8.370 nan 0.000 0.469 269 A N -0.483 122.399 122.820 0.103 0.000 2.218 269 A HA 0.434 4.746 4.320 -0.014 0.000 0.209 269 A C 1.730 179.352 177.584 0.064 0.000 1.168 269 A CA 0.969 53.055 52.037 0.083 0.000 0.804 269 A CB 0.062 19.117 19.000 0.092 0.000 0.834 269 A HN 0.253 nan 8.150 nan 0.000 0.482 270 G N -1.947 106.896 108.800 0.072 0.000 2.131 270 G HA2 0.179 4.131 3.960 -0.014 0.000 0.201 270 G HA3 0.179 4.131 3.960 -0.014 0.000 0.201 270 G C 0.278 175.225 174.900 0.078 0.000 1.000 270 G CA 0.121 45.263 45.100 0.070 0.000 0.680 270 G HN 1.452 nan 8.290 nan 0.000 0.514 271 A N -0.022 122.843 122.820 0.076 0.000 2.388 271 A HA 0.572 4.884 4.320 -0.014 0.000 0.257 271 A C 0.222 177.857 177.584 0.085 0.000 1.095 271 A CA 0.392 52.470 52.037 0.068 0.000 0.791 271 A CB 0.605 19.643 19.000 0.064 0.000 1.029 271 A HN 0.463 nan 8.150 nan 0.000 0.489 272 D N 2.252 122.699 120.400 0.079 0.000 2.411 272 D HA 0.363 4.994 4.640 -0.014 0.000 0.225 272 D C -0.503 175.845 176.300 0.081 0.000 1.156 272 D CA 0.061 54.125 54.000 0.106 0.000 0.874 272 D CB -0.072 40.840 40.800 0.186 0.000 1.034 272 D HN 0.353 nan 8.370 nan 0.000 0.502 273 I N 3.376 123.999 120.570 0.089 0.000 2.321 273 I HA 0.246 4.408 4.170 -0.014 0.000 0.291 273 I C 0.475 176.645 176.117 0.088 0.000 0.998 273 I CA -0.583 60.770 61.300 0.088 0.000 1.227 273 I CB 1.213 39.260 38.000 0.078 0.000 1.368 273 I HN 0.223 nan 8.210 nan 0.000 0.466 274 E N 5.384 125.657 120.200 0.121 0.000 2.227 274 E HA 0.555 4.896 4.350 -0.014 0.000 0.268 274 E C -1.008 175.547 176.600 -0.075 0.000 0.907 274 E CA -0.825 55.628 56.400 0.089 0.000 0.786 274 E CB 3.030 32.876 29.700 0.243 0.000 1.191 274 E HN 0.436 nan 8.360 nan 0.000 0.411 275 V N -0.951 118.773 119.914 -0.317 0.000 2.667 275 V HA 0.934 5.046 4.120 -0.014 0.000 0.308 275 V C 0.148 175.517 176.094 -1.208 0.000 1.048 275 V CA -0.486 61.422 62.300 -0.653 0.000 0.928 275 V CB 1.534 33.152 31.823 -0.342 0.000 1.004 275 V HN 0.707 nan 8.190 nan 0.000 0.444 276 G N 0.927 108.643 108.800 -1.806 0.000 2.932 276 G HA2 0.446 4.398 3.960 -0.014 0.000 0.283 276 G HA3 0.446 4.398 3.960 -0.014 0.000 0.283 276 G C 0.345 174.874 174.900 -0.619 0.000 1.336 276 G CA 0.201 44.483 45.100 -1.363 0.000 1.056 276 G HN 1.005 nan 8.290 nan 0.000 0.522 277 E N -0.460 119.570 120.200 -0.283 0.000 2.113 277 E HA -0.254 4.088 4.350 -0.014 0.000 0.210 277 E C 0.604 177.131 176.600 -0.121 0.000 1.040 277 E CA 2.106 58.430 56.400 -0.127 0.000 0.847 277 E CB 0.022 29.712 29.700 -0.016 0.000 0.755 277 E HN 0.496 nan 8.360 nan 0.000 0.459 278 D N -1.583 118.768 120.400 -0.082 0.000 2.760 278 D HA 0.062 4.694 4.640 -0.014 0.000 0.314 278 D C -0.276 176.110 176.300 0.143 0.000 1.464 278 D CA -0.525 53.490 54.000 0.025 0.000 0.797 278 D CB -0.893 39.954 40.800 0.078 0.000 1.149 278 D HN 0.349 nan 8.370 nan 0.000 0.455 279 W N -0.003 121.302 121.300 0.008 0.000 3.213 279 W HA 0.669 5.320 4.660 -0.016 0.000 0.318 279 W C -2.094 174.435 176.519 0.017 0.000 1.248 279 W CA -1.334 56.016 57.345 0.008 0.000 1.187 279 W CB 0.451 29.912 29.460 0.001 0.000 1.403 279 W HN -0.283 nan 8.180 nan 0.000 0.556 280 I N 3.087 123.860 120.570 0.338 0.000 2.499 280 I HA 0.279 4.441 4.170 -0.014 0.000 0.288 280 I C 0.022 176.365 176.117 0.376 0.000 1.048 280 I CA -0.691 60.745 61.300 0.228 0.000 1.062 280 I CB 2.455 40.520 38.000 0.107 0.000 1.238 280 I HN 0.429 nan 8.210 nan 0.000 0.426 281 S N 6.896 122.849 115.700 0.422 0.000 2.509 281 S HA 0.839 5.301 4.470 -0.014 0.000 0.297 281 S C -0.876 173.825 174.600 0.168 0.000 1.118 281 S CA -0.734 57.635 58.200 0.281 0.000 1.074 281 S CB 2.196 65.582 63.200 0.310 0.000 1.038 281 S HN 0.626 nan 8.310 nan 0.000 0.498 282 L N 1.898 123.181 121.223 0.100 0.000 2.381 282 L HA 0.719 5.050 4.340 -0.014 0.000 0.268 282 L C -1.849 175.016 176.870 -0.010 0.000 0.997 282 L CA -0.324 54.549 54.840 0.055 0.000 0.818 282 L CB 2.007 44.102 42.059 0.060 0.000 1.310 282 L HN 0.835 nan 8.230 nan 0.000 0.416 283 D N 4.296 124.652 120.400 -0.074 0.000 2.855 283 D HA 0.265 4.897 4.640 -0.014 0.000 0.241 283 D C 0.181 176.327 176.300 -0.258 0.000 1.277 283 D CA -0.432 53.433 54.000 -0.224 0.000 0.918 283 D CB 1.841 42.402 40.800 -0.398 0.000 1.462 283 D HN 0.431 nan 8.370 nan 0.000 0.559 284 M N 1.328 120.828 119.600 -0.167 0.000 2.476 284 M HA 0.066 4.538 4.480 -0.014 0.000 0.262 284 M C 0.009 176.321 176.300 0.020 0.000 1.111 284 M CA 0.486 55.756 55.300 -0.051 0.000 1.127 284 M CB -1.249 31.343 32.600 -0.012 0.000 1.376 284 M HN 0.567 nan 8.290 nan 0.000 0.465 285 H N 0.022 119.106 119.070 0.023 0.000 2.882 285 H HA -0.054 4.494 4.556 -0.013 0.000 0.340 285 H C 1.229 176.566 175.328 0.015 0.000 1.195 285 H CA 0.241 56.300 56.048 0.019 0.000 1.152 285 H CB -1.791 27.983 29.762 0.021 0.000 1.590 285 H HN 0.650 nan 8.280 nan 0.000 0.421 286 G N 0.213 109.063 108.800 0.083 0.000 2.228 286 G HA2 -0.412 3.540 3.960 -0.014 0.000 0.270 286 G HA3 -0.412 3.540 3.960 -0.014 0.000 0.270 286 G C 0.448 175.374 174.900 0.043 0.000 0.976 286 G CA 0.794 45.927 45.100 0.054 0.000 0.636 286 G HN 0.556 nan 8.290 nan 0.000 0.542 287 K N 0.900 121.331 120.400 0.053 0.000 2.297 287 K HA 0.306 4.617 4.320 -0.014 0.000 0.286 287 K C 0.891 177.505 176.600 0.023 0.000 1.053 287 K CA -0.639 55.674 56.287 0.043 0.000 0.940 287 K CB 1.064 33.599 32.500 0.059 0.000 1.019 287 K HN 0.455 nan 8.250 nan 0.000 0.475 288 R N 4.159 124.670 120.500 0.018 0.000 2.679 288 R HA 0.060 4.391 4.340 -0.014 0.000 0.268 288 R C -2.076 174.230 176.300 0.010 0.000 1.044 288 R CA -0.788 55.318 56.100 0.010 0.000 1.105 288 R CB 0.245 30.551 30.300 0.010 0.000 0.989 288 R HN 0.322 nan 8.270 nan 0.000 0.447 289 P HA 0.131 nan 4.420 nan 0.000 0.275 289 P C -1.429 175.876 177.300 0.009 0.000 1.266 289 P CA -0.298 62.804 63.100 0.002 0.000 0.793 289 P CB 0.603 32.291 31.700 -0.021 0.000 1.074 290 K N -0.104 120.307 120.400 0.018 0.000 2.270 290 K HA 0.619 4.931 4.320 -0.014 0.000 0.255 290 K C -0.466 176.148 176.600 0.023 0.000 0.936 290 K CA -0.846 55.454 56.287 0.020 0.000 0.809 290 K CB 1.344 33.862 32.500 0.030 0.000 1.131 290 K HN 0.526 nan 8.250 nan 0.000 0.427 291 A N 2.369 125.194 122.820 0.008 0.000 2.520 291 A HA 0.359 4.670 4.320 -0.014 0.000 0.235 291 A C -0.155 177.443 177.584 0.023 0.000 1.065 291 A CA -0.105 51.931 52.037 -0.002 0.000 0.764 291 A CB -0.058 18.912 19.000 -0.049 0.000 1.002 291 A HN 0.595 nan 8.150 nan 0.000 0.502 292 V N -0.170 119.767 119.914 0.038 0.000 3.160 292 V HA 0.627 4.739 4.120 -0.014 0.000 0.310 292 V C -0.569 175.554 176.094 0.048 0.000 1.181 292 V CA -1.262 61.073 62.300 0.058 0.000 1.047 292 V CB 1.957 33.842 31.823 0.103 0.000 1.068 292 V HN 0.858 nan 8.190 nan 0.000 0.441 293 N N 0.127 118.853 118.700 0.043 0.000 2.443 293 N HA 0.679 5.411 4.740 -0.014 0.000 0.269 293 N C -1.329 174.136 175.510 -0.075 0.000 0.985 293 N CA -0.467 52.615 53.050 0.054 0.000 0.921 293 N CB 2.228 40.784 38.487 0.116 0.000 1.195 293 N HN 0.570 nan 8.380 nan 0.000 0.492 294 V N 2.260 122.082 119.914 -0.153 0.000 2.483 294 V HA 0.468 4.579 4.120 -0.014 0.000 0.295 294 V C 0.018 175.979 176.094 -0.223 0.000 1.035 294 V CA -0.631 61.432 62.300 -0.394 0.000 0.896 294 V CB 1.656 33.021 31.823 -0.764 0.000 0.986 294 V HN 0.643 nan 8.190 nan 0.000 0.447 295 R N 2.701 123.084 120.500 -0.197 0.000 2.473 295 R HA 0.489 4.821 4.340 -0.014 0.000 0.303 295 R C -0.128 176.171 176.300 -0.001 0.000 1.002 295 R CA -0.313 55.748 56.100 -0.064 0.000 0.884 295 R CB 1.504 31.781 30.300 -0.037 0.000 1.173 295 R HN 0.890 nan 8.270 nan 0.000 0.464 296 T N 1.277 115.869 114.554 0.063 0.000 2.913 296 T HA 0.718 5.060 4.350 -0.014 0.000 0.297 296 T C 0.086 174.827 174.700 0.069 0.000 1.029 296 T CA -0.091 62.102 62.100 0.155 0.000 1.104 296 T CB 1.590 70.560 68.868 0.170 0.000 0.964 296 T HN 0.707 nan 8.240 nan 0.000 0.532 297 A N 3.113 125.968 122.820 0.059 0.000 2.566 297 A HA 0.748 5.059 4.320 -0.014 0.000 0.290 297 A C -3.140 174.449 177.584 0.009 0.000 1.071 297 A CA -1.706 50.337 52.037 0.010 0.000 0.658 297 A CB 0.246 19.248 19.000 0.004 0.000 1.285 297 A HN 0.654 nan 8.150 nan 0.000 0.427 298 P HA 0.207 nan 4.420 nan 0.000 0.268 298 P C -0.345 176.977 177.300 0.036 0.000 1.208 298 P CA 0.412 63.522 63.100 0.015 0.000 0.777 298 P CB 0.129 31.831 31.700 0.004 0.000 0.875 299 H N 4.116 123.175 119.070 -0.017 0.000 3.038 299 H HA -0.012 4.540 4.556 -0.006 0.000 0.338 299 H C -1.140 174.182 175.328 -0.010 0.000 1.041 299 H CA -0.529 55.508 56.048 -0.017 0.000 1.394 299 H CB 0.265 30.018 29.762 -0.015 0.000 1.357 299 H HN 0.326 nan 8.280 nan 0.000 0.600 300 P HA 0.082 nan 4.420 nan 0.000 0.253 300 P C -0.267 176.795 177.300 -0.397 0.000 1.260 300 P CA 0.294 62.810 63.100 -0.974 0.000 0.800 300 P CB -0.001 31.324 31.700 -0.624 0.000 1.162 301 A N 0.509 123.222 122.820 -0.180 0.000 2.346 301 A HA 0.173 4.485 4.320 -0.014 0.000 0.255 301 A C -0.122 177.466 177.584 0.007 0.000 1.113 301 A CA -0.488 51.520 52.037 -0.050 0.000 0.798 301 A CB -0.638 18.357 19.000 -0.007 0.000 1.073 301 A HN 0.148 nan 8.150 nan 0.000 0.502 302 F N 1.789 121.688 119.950 -0.085 0.000 2.612 302 F HA 0.210 4.740 4.527 0.004 0.000 0.389 302 F C -1.616 174.150 175.800 -0.056 0.000 1.055 302 F CA -1.104 56.836 58.000 -0.101 0.000 1.232 302 F CB 0.493 39.396 39.000 -0.161 0.000 1.044 302 F HN 0.269 nan 8.300 nan 0.000 0.560 303 P HA 0.019 nan 4.420 nan 0.000 0.280 303 P C 0.266 177.542 177.300 -0.041 0.000 1.244 303 P CA -0.208 62.792 63.100 -0.167 0.000 0.784 303 P CB 1.548 33.123 31.700 -0.209 0.000 0.913 304 T N 0.884 115.485 114.554 0.078 0.000 2.897 304 T HA -0.127 4.214 4.350 -0.014 0.000 0.271 304 T C 0.897 175.676 174.700 0.132 0.000 1.084 304 T CA 1.592 63.784 62.100 0.152 0.000 1.123 304 T CB -0.656 68.312 68.868 0.167 0.000 0.865 304 T HN 0.287 nan 8.240 nan 0.000 0.496 305 D N 0.272 120.711 120.400 0.065 0.000 2.363 305 D HA 0.090 4.721 4.640 -0.014 0.000 0.220 305 D C 1.392 177.714 176.300 0.036 0.000 0.994 305 D CA 0.416 54.442 54.000 0.044 0.000 0.890 305 D CB 0.098 40.908 40.800 0.018 0.000 0.906 305 D HN 0.403 nan 8.370 nan 0.000 0.530 306 M N -0.053 119.554 119.600 0.012 0.000 2.371 306 M HA 0.060 4.532 4.480 -0.014 0.000 0.246 306 M C 1.697 178.241 176.300 0.408 0.000 1.103 306 M CA 0.201 55.570 55.300 0.115 0.000 1.010 306 M CB 0.209 32.691 32.600 -0.198 0.000 1.457 306 M HN -0.003 nan 8.290 nan 0.000 0.486 307 Q N 1.006 121.024 119.800 0.362 0.000 2.046 307 Q HA -0.083 4.248 4.340 -0.014 0.000 0.200 307 Q C 1.794 177.930 176.000 0.226 0.000 0.975 307 Q CA 1.974 58.009 55.803 0.387 0.000 0.836 307 Q CB 0.056 28.960 28.738 0.278 0.000 0.896 307 Q HN 0.432 nan 8.270 nan 0.000 0.428 308 A N 0.719 123.519 122.820 -0.033 0.000 1.908 308 A HA -0.263 4.049 4.320 -0.014 0.000 0.218 308 A C 2.023 179.529 177.584 -0.130 0.000 1.181 308 A CA 1.849 53.604 52.037 -0.470 0.000 0.627 308 A CB -0.540 18.017 19.000 -0.739 0.000 0.818 308 A HN 0.497 nan 8.150 nan 0.000 0.445 309 Q N -1.247 118.572 119.800 0.033 0.000 2.050 309 Q HA -0.093 4.239 4.340 -0.014 0.000 0.202 309 Q C 1.748 177.798 176.000 0.084 0.000 0.980 309 Q CA 1.825 57.663 55.803 0.058 0.000 0.840 309 Q CB -0.443 28.357 28.738 0.103 0.000 0.898 309 Q HN 0.687 nan 8.270 nan 0.000 0.424 310 F N 0.320 120.348 119.950 0.129 0.000 2.186 310 F HA -0.169 4.345 4.527 -0.022 0.000 0.299 310 F C 2.338 178.186 175.800 0.080 0.000 1.090 310 F CA 1.354 59.429 58.000 0.126 0.000 1.307 310 F CB -0.633 38.475 39.000 0.180 0.000 1.019 310 F HN 0.031 nan 8.300 nan 0.000 0.489 311 T N 0.930 115.655 114.554 0.285 0.000 2.624 311 T HA -0.273 4.068 4.350 -0.014 0.000 0.268 311 T C 1.983 176.774 174.700 0.153 0.000 1.041 311 T CA 1.694 63.936 62.100 0.236 0.000 1.159 311 T CB -0.740 68.379 68.868 0.418 0.000 0.863 311 T HN 0.144 nan 8.240 nan 0.000 0.434 312 L N 1.129 122.428 121.223 0.126 0.000 1.997 312 L HA -0.073 4.259 4.340 -0.014 0.000 0.216 312 L C 2.292 179.168 176.870 0.010 0.000 1.074 312 L CA 1.689 56.566 54.840 0.060 0.000 0.763 312 L CB -1.064 41.007 42.059 0.020 0.000 0.890 312 L HN 0.305 nan 8.230 nan 0.000 0.434 313 L N -0.423 120.775 121.223 -0.041 0.000 2.043 313 L HA -0.287 4.044 4.340 -0.014 0.000 0.212 313 L C 2.255 179.109 176.870 -0.028 0.000 1.075 313 L CA 1.858 56.646 54.840 -0.087 0.000 0.752 313 L CB -0.529 41.386 42.059 -0.240 0.000 0.891 313 L HN 0.425 nan 8.230 nan 0.000 0.432 314 N N -0.295 118.411 118.700 0.010 0.000 2.188 314 N HA -0.132 4.600 4.740 -0.014 0.000 0.184 314 N C 1.725 177.224 175.510 -0.020 0.000 1.018 314 N CA 1.305 54.352 53.050 -0.004 0.000 0.858 314 N CB -0.262 38.222 38.487 -0.004 0.000 0.989 314 N HN 0.357 nan 8.380 nan 0.000 0.426 315 L N 0.060 121.285 121.223 0.004 0.000 2.395 315 L HA 0.012 4.344 4.340 -0.014 0.000 0.218 315 L C 1.612 178.494 176.870 0.019 0.000 1.130 315 L CA 0.396 55.246 54.840 0.016 0.000 0.826 315 L CB -0.000 42.083 42.059 0.041 0.000 0.941 315 L HN 0.071 nan 8.230 nan 0.000 0.451 316 V N -4.427 115.491 119.914 0.007 0.000 3.528 316 V HA 0.455 4.566 4.120 -0.014 0.000 0.294 316 V C 1.088 177.182 176.094 -0.001 0.000 1.404 316 V CA -0.177 62.126 62.300 0.005 0.000 1.065 316 V CB -0.417 31.405 31.823 -0.001 0.000 0.904 316 V HN 0.107 nan 8.190 nan 0.000 0.435 317 A N 0.725 123.541 122.820 -0.007 0.000 2.366 317 A HA 0.395 4.706 4.320 -0.014 0.000 0.249 317 A C 0.290 177.872 177.584 -0.004 0.000 1.084 317 A CA -0.192 51.840 52.037 -0.007 0.000 0.794 317 A CB 0.163 19.156 19.000 -0.011 0.000 1.034 317 A HN 0.572 nan 8.150 nan 0.000 0.491 318 E N 0.085 120.285 120.200 0.000 0.000 2.180 318 E HA 0.452 4.794 4.350 -0.014 0.000 0.283 318 E C 0.441 177.038 176.600 -0.005 0.000 1.061 318 E CA 0.855 57.256 56.400 0.002 0.000 0.861 318 E CB 0.248 29.953 29.700 0.008 0.000 1.056 318 E HN 1.303 nan 8.360 nan 0.000 0.407 319 G N 2.645 111.437 108.800 -0.013 0.000 2.408 319 G HA2 -0.144 3.807 3.960 -0.014 0.000 0.682 319 G HA3 -0.144 3.807 3.960 -0.014 0.000 0.682 319 G C -0.742 174.114 174.900 -0.073 0.000 1.303 319 G CA -0.736 44.347 45.100 -0.028 0.000 0.966 319 G HN 0.446 nan 8.290 nan 0.000 0.560 320 T N 0.778 115.264 114.554 -0.113 0.000 2.758 320 T HA 0.712 5.054 4.350 -0.014 0.000 0.285 320 T C 0.613 175.093 174.700 -0.366 0.000 0.981 320 T CA 0.495 62.432 62.100 -0.272 0.000 0.965 320 T CB 1.345 70.057 68.868 -0.259 0.000 0.927 320 T HN 1.532 nan 8.240 nan 0.000 0.448 321 G N 1.804 110.308 108.800 -0.494 0.000 2.569 321 G HA2 0.751 4.703 3.960 -0.014 0.000 0.300 321 G HA3 0.751 4.703 3.960 -0.014 0.000 0.300 321 G C -1.590 172.891 174.900 -0.697 0.000 1.269 321 G CA -0.710 44.128 45.100 -0.436 0.000 0.959 321 G HN 0.541 nan 8.290 nan 0.000 0.478 322 F N 0.276 120.176 119.950 -0.083 0.000 2.520 322 F HA 0.557 5.074 4.527 -0.016 0.000 0.322 322 F C 0.032 175.799 175.800 -0.056 0.000 1.103 322 F CA -1.031 56.922 58.000 -0.080 0.000 0.926 322 F CB 2.299 41.254 39.000 -0.076 0.000 1.154 322 F HN 0.009 nan 8.300 nan 0.000 0.453 323 I N 2.609 123.260 120.570 0.135 0.000 2.389 323 I HA 0.322 4.484 4.170 -0.014 0.000 0.288 323 I C -0.536 175.686 176.117 0.175 0.000 0.999 323 I CA -0.245 61.128 61.300 0.122 0.000 1.129 323 I CB 1.735 39.840 38.000 0.174 0.000 1.288 323 I HN 0.549 nan 8.210 nan 0.000 0.444 324 T N 4.915 119.548 114.554 0.131 0.000 2.786 324 T HA 0.271 4.612 4.350 -0.014 0.000 0.283 324 T C -0.214 174.588 174.700 0.171 0.000 0.992 324 T CA -0.495 61.699 62.100 0.157 0.000 0.954 324 T CB 1.721 70.630 68.868 0.069 0.000 0.934 324 T HN 0.391 nan 8.240 nan 0.000 0.440 325 E N 2.064 122.429 120.200 0.274 0.000 2.081 325 E HA 0.350 4.692 4.350 -0.014 0.000 0.276 325 E C 0.956 177.619 176.600 0.105 0.000 0.950 325 E CA -0.529 55.969 56.400 0.165 0.000 0.776 325 E CB 0.754 30.485 29.700 0.052 0.000 1.094 325 E HN 0.658 nan 8.360 nan 0.000 0.402 326 T N 0.477 115.055 114.554 0.040 0.000 3.069 326 T HA 0.133 4.475 4.350 -0.014 0.000 0.252 326 T C 1.018 175.672 174.700 -0.077 0.000 1.053 326 T CA 0.451 62.549 62.100 -0.003 0.000 0.964 326 T CB 0.159 69.023 68.868 -0.006 0.000 1.005 326 T HN 0.180 nan 8.240 nan 0.000 0.532 327 V N -0.395 119.439 119.914 -0.134 0.000 2.627 327 V HA 0.434 4.546 4.120 -0.014 0.000 0.239 327 V C 0.115 175.877 176.094 -0.554 0.000 1.077 327 V CA 0.301 62.382 62.300 -0.365 0.000 1.103 327 V CB -0.172 31.402 31.823 -0.416 0.000 0.802 327 V HN 0.403 nan 8.190 nan 0.000 0.482 328 F N 1.312 121.232 119.950 -0.051 0.000 2.482 328 F HA 0.415 4.920 4.527 -0.037 0.000 0.331 328 F C 1.336 177.069 175.800 -0.111 0.000 1.115 328 F CA -1.282 56.672 58.000 -0.077 0.000 0.955 328 F CB 1.374 40.316 39.000 -0.096 0.000 1.136 328 F HN 0.084 nan 8.300 nan 0.000 0.452 329 E N 1.039 121.314 120.200 0.125 0.000 2.107 329 E HA -0.183 4.158 4.350 -0.014 0.000 0.191 329 E C 0.459 177.114 176.600 0.090 0.000 0.982 329 E CA 1.317 57.774 56.400 0.096 0.000 0.809 329 E CB -0.215 29.544 29.700 0.098 0.000 0.756 329 E HN 0.542 nan 8.360 nan 0.000 0.459 330 N N 0.641 119.366 118.700 0.041 0.000 2.538 330 N HA 0.045 4.777 4.740 -0.014 0.000 0.291 330 N C -0.146 175.302 175.510 -0.103 0.000 1.323 330 N CA -0.233 52.842 53.050 0.042 0.000 0.934 330 N CB 0.067 38.586 38.487 0.054 0.000 1.255 330 N HN -0.010 nan 8.380 nan 0.000 0.509 331 R N 0.329 120.594 120.500 -0.392 0.000 3.541 331 R HA 0.182 4.514 4.340 -0.014 0.000 0.277 331 R C -0.531 175.527 176.300 -0.403 0.000 1.539 331 R CA 0.059 55.945 56.100 -0.357 0.000 1.338 331 R CB -0.289 29.872 30.300 -0.233 0.000 1.343 331 R HN 0.217 nan 8.270 nan 0.000 0.623 332 F N -0.913 119.093 119.950 0.094 0.000 2.698 332 F HA 0.231 4.757 4.527 -0.002 0.000 0.304 332 F C 1.392 177.057 175.800 -0.224 0.000 1.108 332 F CA -0.295 57.656 58.000 -0.083 0.000 1.263 332 F CB 0.315 39.265 39.000 -0.084 0.000 1.013 332 F HN 0.032 nan 8.300 nan 0.000 0.532 333 M N -0.257 119.395 119.600 0.086 0.000 2.460 333 M HA -0.159 4.312 4.480 -0.014 0.000 0.263 333 M C 2.085 178.402 176.300 0.028 0.000 1.071 333 M CA 1.490 56.814 55.300 0.040 0.000 1.096 333 M CB -0.802 31.814 32.600 0.027 0.000 1.408 333 M HN 0.458 nan 8.290 nan 0.000 0.463 334 H N -1.569 117.524 119.070 0.038 0.000 2.423 334 H HA -0.028 4.525 4.556 -0.006 0.000 0.297 334 H C 1.900 177.260 175.328 0.052 0.000 1.075 334 H CA 0.990 57.056 56.048 0.031 0.000 1.342 334 H CB -0.919 28.863 29.762 0.034 0.000 1.395 334 H HN 0.076 nan 8.280 nan 0.000 0.530 335 V N 2.221 121.901 119.914 -0.391 0.000 2.231 335 V HA -0.224 3.888 4.120 -0.014 0.000 0.248 335 V C -0.207 175.850 176.094 -0.061 0.000 1.054 335 V CA 2.367 64.547 62.300 -0.201 0.000 1.015 335 V CB -1.387 30.301 31.823 -0.226 0.000 0.638 335 V HN 0.491 nan 8.190 nan 0.000 0.444 336 P HA -0.135 nan 4.420 nan 0.000 0.221 336 P C 1.359 178.658 177.300 -0.001 0.000 1.145 336 P CA 1.266 64.356 63.100 -0.018 0.000 0.795 336 P CB 0.013 31.705 31.700 -0.012 0.000 0.775 337 E N 0.002 120.207 120.200 0.009 0.000 2.046 337 E HA -0.030 4.311 4.350 -0.014 0.000 0.190 337 E C 2.290 178.907 176.600 0.028 0.000 0.982 337 E CA 0.751 57.165 56.400 0.022 0.000 0.800 337 E CB -0.965 28.756 29.700 0.035 0.000 0.756 337 E HN 0.310 nan 8.360 nan 0.000 0.449 338 L N 0.990 122.237 121.223 0.040 0.000 2.131 338 L HA -0.150 4.181 4.340 -0.014 0.000 0.210 338 L C 2.440 179.327 176.870 0.027 0.000 1.092 338 L CA 0.853 55.719 54.840 0.043 0.000 0.759 338 L CB -0.382 41.718 42.059 0.069 0.000 0.903 338 L HN 0.008 nan 8.230 nan 0.000 0.435 339 S N -0.151 115.559 115.700 0.017 0.000 2.374 339 S HA -0.223 4.239 4.470 -0.014 0.000 0.227 339 S C 2.011 176.611 174.600 0.001 0.000 1.037 339 S CA 1.368 59.572 58.200 0.006 0.000 1.024 339 S CB -0.295 62.903 63.200 -0.004 0.000 0.861 339 S HN 0.403 nan 8.310 nan 0.000 0.456 340 R N 0.531 121.034 120.500 0.004 0.000 2.152 340 R HA 0.064 4.396 4.340 -0.014 0.000 0.232 340 R C 1.701 178.004 176.300 0.005 0.000 1.117 340 R CA 1.100 57.202 56.100 0.003 0.000 0.981 340 R CB -0.300 30.004 30.300 0.007 0.000 0.870 340 R HN 0.456 nan 8.270 nan 0.000 0.451 341 M N -0.735 118.872 119.600 0.011 0.000 2.494 341 M HA 0.184 4.656 4.480 -0.014 0.000 0.232 341 M C 0.720 177.027 176.300 0.011 0.000 1.137 341 M CA 0.509 55.816 55.300 0.013 0.000 1.012 341 M CB 1.176 33.787 32.600 0.018 0.000 1.567 341 M HN 0.419 nan 8.290 nan 0.000 0.486 342 G N 0.590 109.394 108.800 0.007 0.000 2.179 342 G HA2 -0.163 3.789 3.960 -0.014 0.000 0.220 342 G HA3 -0.163 3.789 3.960 -0.014 0.000 0.220 342 G C 0.185 175.097 174.900 0.019 0.000 0.990 342 G CA -0.137 44.966 45.100 0.005 0.000 0.646 342 G HN 0.661 nan 8.290 nan 0.000 0.517 343 A N 0.178 123.017 122.820 0.032 0.000 2.477 343 A HA 0.528 4.840 4.320 -0.014 0.000 0.246 343 A C 0.196 177.836 177.584 0.092 0.000 1.078 343 A CA 0.600 52.674 52.037 0.062 0.000 0.770 343 A CB 0.021 19.056 19.000 0.057 0.000 1.011 343 A HN 0.866 nan 8.150 nan 0.000 0.494 344 H N 1.818 120.905 119.070 0.029 0.000 2.914 344 H HA 0.496 5.043 4.556 -0.015 0.000 0.264 344 H C 0.423 175.801 175.328 0.083 0.000 1.433 344 H CA 0.114 56.193 56.048 0.052 0.000 1.342 344 H CB -0.010 29.789 29.762 0.061 0.000 1.582 344 H HN 0.835 nan 8.280 nan 0.000 0.525 345 A N 3.770 126.730 122.820 0.233 0.000 2.373 345 A HA 0.583 4.894 4.320 -0.014 0.000 0.291 345 A C -0.703 176.967 177.584 0.143 0.000 1.171 345 A CA -0.714 51.397 52.037 0.123 0.000 0.922 345 A CB 1.349 20.364 19.000 0.024 0.000 1.400 345 A HN 0.741 nan 8.150 nan 0.000 0.474 346 E N 0.045 120.262 120.200 0.029 0.000 2.683 346 E HA 0.326 4.667 4.350 -0.014 0.000 0.339 346 E C -1.893 174.665 176.600 -0.071 0.000 0.921 346 E CA -0.233 56.179 56.400 0.020 0.000 0.786 346 E CB 0.828 30.588 29.700 0.100 0.000 1.363 346 E HN 0.573 nan 8.360 nan 0.000 0.401 347 I N 3.117 123.620 120.570 -0.113 0.000 2.365 347 I HA 0.289 4.450 4.170 -0.014 0.000 0.291 347 I C -0.121 175.908 176.117 -0.147 0.000 1.004 347 I CA -0.251 60.917 61.300 -0.219 0.000 1.311 347 I CB 1.337 39.162 38.000 -0.293 0.000 1.401 347 I HN 0.449 nan 8.210 nan 0.000 0.491 348 E N 5.177 125.281 120.200 -0.159 0.000 2.502 348 E HA 0.360 4.702 4.350 -0.014 0.000 0.261 348 E C -0.122 176.426 176.600 -0.086 0.000 0.974 348 E CA 0.010 56.361 56.400 -0.081 0.000 0.795 348 E CB 1.019 30.701 29.700 -0.030 0.000 1.385 348 E HN 0.665 nan 8.360 nan 0.000 0.400 349 S N 4.070 119.732 115.700 -0.064 0.000 4.151 349 S HA -0.359 4.102 4.470 -0.014 0.000 0.622 349 S C 0.394 174.986 174.600 -0.013 0.000 1.877 349 S CA 1.953 60.141 58.200 -0.021 0.000 4.244 349 S CB -1.517 61.680 63.200 -0.005 0.000 0.203 349 S HN 0.844 nan 8.310 nan 0.000 0.468 350 N N 0.515 119.236 118.700 0.035 0.000 2.338 350 N HA 0.425 5.156 4.740 -0.014 0.000 0.251 350 N C -0.458 175.140 175.510 0.146 0.000 1.199 350 N CA 0.076 53.238 53.050 0.187 0.000 0.879 350 N CB 1.131 39.758 38.487 0.232 0.000 1.159 350 N HN 0.398 nan 8.380 nan 0.000 0.514 351 T N 0.426 114.926 114.554 -0.091 0.000 2.893 351 T HA 0.386 4.728 4.350 -0.014 0.000 0.291 351 T C -1.079 173.475 174.700 -0.244 0.000 1.028 351 T CA -0.749 61.316 62.100 -0.059 0.000 0.995 351 T CB 2.471 71.355 68.868 0.026 0.000 1.051 351 T HN 0.050 nan 8.240 nan 0.000 0.470 352 V N 4.459 124.277 119.914 -0.161 0.000 2.378 352 V HA 0.530 4.641 4.120 -0.014 0.000 0.288 352 V C -0.677 175.345 176.094 -0.120 0.000 1.016 352 V CA -1.064 61.120 62.300 -0.194 0.000 0.840 352 V CB 0.436 32.123 31.823 -0.227 0.000 0.994 352 V HN 0.743 nan 8.190 nan 0.000 0.431 353 I N 6.168 126.646 120.570 -0.153 0.000 2.421 353 I HA 0.316 4.478 4.170 -0.014 0.000 0.291 353 I C 0.341 176.205 176.117 -0.422 0.000 1.089 353 I CA 0.055 61.147 61.300 -0.346 0.000 1.354 353 I CB -0.434 37.421 38.000 -0.242 0.000 1.413 353 I HN 0.549 nan 8.210 nan 0.000 0.513 354 C N 6.540 125.528 119.300 -0.520 0.000 2.341 354 C HA 0.437 4.889 4.460 -0.014 0.000 0.338 354 C C 0.471 175.109 174.990 -0.586 0.000 1.257 354 C CA -0.570 58.225 59.018 -0.371 0.000 1.883 354 C CB 0.277 27.891 27.740 -0.210 0.000 2.334 354 C HN 0.656 nan 8.230 nan 0.000 0.524 355 H N 1.394 120.335 119.070 -0.216 0.000 2.645 355 H HA 0.255 4.803 4.556 -0.013 0.000 0.257 355 H C 0.660 175.913 175.328 -0.125 0.000 1.269 355 H CA -0.035 55.858 56.048 -0.259 0.000 1.409 355 H CB 0.928 30.374 29.762 -0.526 0.000 1.434 355 H HN 0.990 nan 8.280 nan 0.000 0.505 356 G N 2.205 110.995 108.800 -0.016 0.000 2.187 356 G HA2 0.148 4.100 3.960 -0.014 0.000 0.239 356 G HA3 0.148 4.100 3.960 -0.014 0.000 0.239 356 G C 0.777 175.699 174.900 0.036 0.000 1.200 356 G CA 0.060 45.164 45.100 0.006 0.000 0.888 356 G HN 0.411 nan 8.290 nan 0.000 0.482 357 V N 0.354 120.296 119.914 0.046 0.000 3.302 357 V HA 0.581 4.693 4.120 -0.014 0.000 0.316 357 V C 1.027 177.138 176.094 0.028 0.000 1.111 357 V CA -0.380 61.948 62.300 0.047 0.000 1.029 357 V CB 1.830 33.688 31.823 0.058 0.000 1.170 357 V HN 0.771 nan 8.190 nan 0.000 0.452 358 E N -0.204 120.011 120.200 0.024 0.000 2.099 358 E HA 0.197 4.539 4.350 -0.014 0.000 0.191 358 E C 0.540 177.149 176.600 0.014 0.000 0.962 358 E CA 0.243 56.653 56.400 0.016 0.000 0.826 358 E CB 0.452 30.161 29.700 0.015 0.000 0.788 358 E HN 0.674 nan 8.360 nan 0.000 0.461 359 K N 0.570 120.979 120.400 0.015 0.000 2.371 359 K HA 0.424 4.735 4.320 -0.014 0.000 0.251 359 K C -1.190 175.419 176.600 0.014 0.000 0.934 359 K CA -0.488 55.806 56.287 0.012 0.000 0.798 359 K CB 1.533 34.039 32.500 0.009 0.000 1.204 359 K HN -0.037 nan 8.250 nan 0.000 0.427 360 L N 1.499 122.730 121.223 0.012 0.000 2.344 360 L HA 0.433 4.764 4.340 -0.014 0.000 0.272 360 L C 0.074 176.950 176.870 0.009 0.000 1.035 360 L CA -0.670 54.178 54.840 0.013 0.000 0.807 360 L CB 1.853 43.920 42.059 0.014 0.000 1.237 360 L HN 0.585 nan 8.230 nan 0.000 0.442 361 S N 0.606 116.311 115.700 0.009 0.000 2.549 361 S HA 0.640 5.102 4.470 -0.014 0.000 0.297 361 S C 0.005 174.611 174.600 0.009 0.000 1.115 361 S CA -0.541 57.663 58.200 0.007 0.000 1.059 361 S CB 1.621 64.824 63.200 0.005 0.000 1.046 361 S HN 0.729 nan 8.310 nan 0.000 0.506 362 G N 1.608 110.414 108.800 0.009 0.000 2.441 362 G HA2 0.562 4.514 3.960 -0.014 0.000 0.243 362 G HA3 0.562 4.514 3.960 -0.014 0.000 0.243 362 G C -0.213 174.694 174.900 0.013 0.000 1.281 362 G CA 0.148 45.255 45.100 0.012 0.000 0.854 362 G HN 1.226 nan 8.290 nan 0.000 0.560 363 A N 1.797 124.626 122.820 0.016 0.000 2.612 363 A HA 0.631 4.943 4.320 -0.014 0.000 0.293 363 A C -0.479 177.118 177.584 0.020 0.000 1.075 363 A CA -0.797 51.249 52.037 0.015 0.000 0.680 363 A CB 1.048 20.056 19.000 0.013 0.000 1.279 363 A HN 0.677 nan 8.150 nan 0.000 0.411 364 Q N 0.687 120.499 119.800 0.019 0.000 2.281 364 Q HA 0.438 4.769 4.340 -0.014 0.000 0.267 364 Q C 0.083 176.096 176.000 0.021 0.000 1.053 364 Q CA -0.229 55.587 55.803 0.023 0.000 0.905 364 Q CB 0.813 29.563 28.738 0.021 0.000 1.195 364 Q HN 0.890 nan 8.270 nan 0.000 0.398 365 V N 0.026 119.954 119.914 0.024 0.000 3.074 365 V HA 0.726 4.838 4.120 -0.014 0.000 0.314 365 V C -0.721 175.386 176.094 0.022 0.000 1.117 365 V CA -1.341 60.973 62.300 0.022 0.000 1.014 365 V CB 2.220 34.057 31.823 0.024 0.000 1.057 365 V HN 0.834 nan 8.190 nan 0.000 0.438 366 M N 2.831 122.442 119.600 0.019 0.000 2.197 366 M HA 0.803 5.275 4.480 -0.014 0.000 0.301 366 M C -0.096 176.205 176.300 0.001 0.000 0.987 366 M CA -0.573 54.739 55.300 0.019 0.000 0.921 366 M CB 1.403 34.019 32.600 0.027 0.000 1.569 366 M HN 1.228 nan 8.290 nan 0.000 0.431 367 A N 2.979 125.795 122.820 -0.007 0.000 2.488 367 A HA 0.419 4.730 4.320 -0.014 0.000 0.249 367 A C 0.836 178.326 177.584 -0.157 0.000 1.083 367 A CA 0.280 52.280 52.037 -0.062 0.000 0.768 367 A CB -0.103 18.876 19.000 -0.034 0.000 1.017 367 A HN 0.966 nan 8.150 nan 0.000 0.496 368 T N -1.178 113.177 114.554 -0.332 0.000 2.964 368 T HA 0.347 4.689 4.350 -0.014 0.000 0.249 368 T C 0.084 174.307 174.700 -0.795 0.000 1.000 368 T CA 0.676 62.542 62.100 -0.391 0.000 0.992 368 T CB -0.358 68.410 68.868 -0.166 0.000 1.087 368 T HN 0.867 nan 8.240 nan 0.000 0.489 369 D N -0.832 119.088 120.400 -0.800 0.000 2.692 369 D HA 0.398 5.029 4.640 -0.014 0.000 0.290 369 D C 0.672 176.761 176.300 -0.351 0.000 1.281 369 D CA -0.949 52.667 54.000 -0.641 0.000 0.804 369 D CB 0.694 41.304 40.800 -0.315 0.000 1.331 369 D HN -0.112 nan 8.370 nan 0.000 0.432 370 L N 0.535 121.670 121.223 -0.146 0.000 1.963 370 L HA -0.137 4.195 4.340 -0.014 0.000 0.220 370 L C 1.976 178.860 176.870 0.024 0.000 1.076 370 L CA 1.969 56.809 54.840 -0.001 0.000 0.772 370 L CB -0.750 41.330 42.059 0.034 0.000 0.892 370 L HN 0.509 nan 8.230 nan 0.000 0.435 371 R N -0.169 120.328 120.500 -0.004 0.000 2.148 371 R HA 0.075 4.406 4.340 -0.014 0.000 0.223 371 R C 2.167 178.417 176.300 -0.083 0.000 1.088 371 R CA 1.147 57.254 56.100 0.011 0.000 0.985 371 R CB -1.415 28.880 30.300 -0.008 0.000 0.880 371 R HN 0.573 nan 8.270 nan 0.000 0.451 372 A N 1.439 124.187 122.820 -0.121 0.000 1.902 372 A HA -0.194 4.118 4.320 -0.014 0.000 0.217 372 A C 2.379 179.908 177.584 -0.092 0.000 1.181 372 A CA 2.073 54.042 52.037 -0.113 0.000 0.623 372 A CB -0.617 18.344 19.000 -0.066 0.000 0.818 372 A HN 0.453 nan 8.150 nan 0.000 0.443 373 S N 0.422 116.056 115.700 -0.110 0.000 2.356 373 S HA -0.049 4.412 4.470 -0.014 0.000 0.223 373 S C 2.148 176.678 174.600 -0.116 0.000 1.032 373 S CA 1.581 59.722 58.200 -0.099 0.000 1.005 373 S CB -0.867 62.275 63.200 -0.095 0.000 0.867 373 S HN 0.995 nan 8.310 nan 0.000 0.449 374 A N 1.982 124.694 122.820 -0.180 0.000 1.892 374 A HA -0.072 4.239 4.320 -0.014 0.000 0.218 374 A C 2.509 179.980 177.584 -0.189 0.000 1.188 374 A CA 2.226 54.080 52.037 -0.305 0.000 0.631 374 A CB -1.478 17.232 19.000 -0.484 0.000 0.822 374 A HN 0.619 nan 8.150 nan 0.000 0.447 375 S N -0.035 115.587 115.700 -0.130 0.000 2.370 375 S HA -0.135 4.326 4.470 -0.014 0.000 0.226 375 S C 1.783 176.358 174.600 -0.043 0.000 1.033 375 S CA 1.593 59.742 58.200 -0.084 0.000 1.011 375 S CB -0.475 62.670 63.200 -0.091 0.000 0.852 375 S HN 0.508 nan 8.310 nan 0.000 0.457 376 L N 0.855 122.060 121.223 -0.029 0.000 2.156 376 L HA -0.034 4.298 4.340 -0.014 0.000 0.208 376 L C 2.318 179.191 176.870 0.006 0.000 1.095 376 L CA 0.642 55.483 54.840 0.001 0.000 0.770 376 L CB -0.638 41.426 42.059 0.007 0.000 0.914 376 L HN 0.208 nan 8.230 nan 0.000 0.439 377 V N -0.163 119.750 119.914 -0.003 0.000 2.261 377 V HA -0.283 3.829 4.120 -0.014 0.000 0.246 377 V C 2.434 178.514 176.094 -0.022 0.000 1.047 377 V CA 1.406 63.721 62.300 0.025 0.000 1.015 377 V CB -0.377 31.479 31.823 0.054 0.000 0.642 377 V HN 0.236 nan 8.190 nan 0.000 0.446 378 L N 0.486 121.671 121.223 -0.064 0.000 2.042 378 L HA -0.140 4.192 4.340 -0.014 0.000 0.210 378 L C 2.637 179.486 176.870 -0.035 0.000 1.076 378 L CA 2.239 57.039 54.840 -0.065 0.000 0.749 378 L CB -1.522 40.479 42.059 -0.097 0.000 0.893 378 L HN 0.308 nan 8.230 nan 0.000 0.432 379 A N -0.394 122.412 122.820 -0.022 0.000 1.892 379 A HA -0.200 4.111 4.320 -0.014 0.000 0.218 379 A C 2.447 180.031 177.584 0.000 0.000 1.188 379 A CA 1.963 53.998 52.037 -0.004 0.000 0.631 379 A CB -1.462 17.544 19.000 0.010 0.000 0.822 379 A HN 0.451 nan 8.150 nan 0.000 0.447 380 G N -1.163 107.640 108.800 0.005 0.000 2.450 380 G HA2 -0.280 3.671 3.960 -0.014 0.000 0.220 380 G HA3 -0.280 3.671 3.960 -0.014 0.000 0.220 380 G C 1.509 176.409 174.900 -0.001 0.000 1.130 380 G CA 1.333 46.439 45.100 0.009 0.000 0.760 380 G HN 0.559 nan 8.290 nan 0.000 0.557 381 C N 0.408 119.701 119.300 -0.011 0.000 2.435 381 C HA 0.086 4.538 4.460 -0.014 0.000 0.279 381 C C 2.586 177.570 174.990 -0.010 0.000 1.321 381 C CA 0.863 59.872 59.018 -0.015 0.000 1.752 381 C CB -0.874 26.854 27.740 -0.020 0.000 1.959 381 C HN 0.675 nan 8.230 nan 0.000 0.500 382 I N -1.121 119.444 120.570 -0.008 0.000 4.070 382 I HA 0.403 4.565 4.170 -0.014 0.000 0.328 382 I C 1.011 177.127 176.117 -0.001 0.000 1.298 382 I CA -0.077 61.220 61.300 -0.006 0.000 1.173 382 I CB -0.387 37.607 38.000 -0.009 0.000 1.051 382 I HN 0.002 nan 8.210 nan 0.000 0.409 383 A N 1.987 124.808 122.820 0.001 0.000 2.462 383 A HA 0.187 4.499 4.320 -0.014 0.000 0.243 383 A C 0.283 177.869 177.584 0.004 0.000 1.076 383 A CA -0.088 51.951 52.037 0.005 0.000 0.773 383 A CB 0.139 19.144 19.000 0.008 0.000 1.010 383 A HN 0.350 nan 8.150 nan 0.000 0.493 384 E N 0.792 120.995 120.200 0.004 0.000 2.290 384 E HA 0.437 4.779 4.350 -0.014 0.000 0.277 384 E C 0.835 177.437 176.600 0.004 0.000 1.035 384 E CA 1.486 57.888 56.400 0.004 0.000 0.873 384 E CB 0.707 30.410 29.700 0.004 0.000 1.029 384 E HN 1.345 nan 8.360 nan 0.000 0.419 385 G N 3.313 112.115 108.800 0.004 0.000 2.548 385 G HA2 -0.201 3.751 3.960 -0.014 0.000 0.208 385 G HA3 -0.201 3.751 3.960 -0.014 0.000 0.208 385 G C -0.574 174.330 174.900 0.007 0.000 1.308 385 G CA -0.380 44.722 45.100 0.005 0.000 0.924 385 G HN 0.496 nan 8.290 nan 0.000 0.540 386 T N 1.332 115.892 114.554 0.009 0.000 2.767 386 T HA 0.644 4.986 4.350 -0.014 0.000 0.288 386 T C 0.097 174.808 174.700 0.018 0.000 0.963 386 T CA 0.311 62.419 62.100 0.013 0.000 1.019 386 T CB 1.444 70.320 68.868 0.014 0.000 0.923 386 T HN 0.742 nan 8.240 nan 0.000 0.468 387 T N 2.900 117.468 114.554 0.023 0.000 2.823 387 T HA 0.535 4.876 4.350 -0.014 0.000 0.279 387 T C -0.285 174.442 174.700 0.046 0.000 0.998 387 T CA -0.562 61.557 62.100 0.031 0.000 0.994 387 T CB 1.173 70.059 68.868 0.031 0.000 0.960 387 T HN 0.336 nan 8.240 nan 0.000 0.448 388 V N 3.837 123.778 119.914 0.046 0.000 2.409 388 V HA 0.423 4.535 4.120 -0.014 0.000 0.291 388 V C -0.256 175.871 176.094 0.055 0.000 1.020 388 V CA -0.798 61.537 62.300 0.058 0.000 0.848 388 V CB 1.670 33.521 31.823 0.046 0.000 0.990 388 V HN 0.710 nan 8.190 nan 0.000 0.430 389 V N 3.916 123.872 119.914 0.071 0.000 2.328 389 V HA 0.385 4.496 4.120 -0.014 0.000 0.278 389 V C -0.059 176.039 176.094 0.007 0.000 1.021 389 V CA -0.424 61.900 62.300 0.041 0.000 0.838 389 V CB 1.419 33.273 31.823 0.053 0.000 0.999 389 V HN 0.836 nan 8.190 nan 0.000 0.447 390 D N 3.534 123.940 120.400 0.011 0.000 2.348 390 D HA 0.411 5.043 4.640 -0.014 0.000 0.249 390 D C 0.720 177.029 176.300 0.015 0.000 1.110 390 D CA -0.384 53.624 54.000 0.014 0.000 0.967 390 D CB 0.833 41.653 40.800 0.033 0.000 1.139 390 D HN 0.518 nan 8.370 nan 0.000 0.466 391 R N 0.909 121.437 120.500 0.047 0.000 3.531 391 R HA -0.206 4.126 4.340 -0.014 0.000 0.280 391 R C 0.974 177.231 176.300 -0.071 0.000 1.130 391 R CA -0.066 56.100 56.100 0.111 0.000 0.757 391 R CB -1.876 28.532 30.300 0.180 0.000 1.218 391 R HN 0.351 nan 8.270 nan 0.000 0.454 392 I N 0.920 121.411 120.570 -0.131 0.000 2.916 392 I HA -0.219 3.943 4.170 -0.014 0.000 0.267 392 I C 2.147 178.098 176.117 -0.278 0.000 1.263 392 I CA 1.034 62.145 61.300 -0.315 0.000 1.471 392 I CB -0.326 37.271 38.000 -0.671 0.000 1.089 392 I HN 0.429 nan 8.210 nan 0.000 0.468 393 Y N -0.446 119.714 120.300 -0.234 0.000 2.241 393 Y HA -0.326 4.218 4.550 -0.009 0.000 0.286 393 Y C 2.277 178.066 175.900 -0.185 0.000 1.166 393 Y CA 1.928 59.901 58.100 -0.213 0.000 1.203 393 Y CB -1.814 36.508 38.460 -0.231 0.000 0.977 393 Y HN 0.342 nan 8.280 nan 0.000 0.529 394 H N 0.128 118.727 119.070 -0.786 0.000 2.353 394 H HA -0.182 4.362 4.556 -0.020 0.000 0.298 394 H C 2.246 177.470 175.328 -0.173 0.000 1.103 394 H CA 2.220 57.980 56.048 -0.481 0.000 1.293 394 H CB -0.303 29.181 29.762 -0.464 0.000 1.372 394 H HN 0.473 nan 8.280 nan 0.000 0.501 395 I N 0.594 121.146 120.570 -0.031 0.000 2.361 395 I HA -0.243 3.919 4.170 -0.014 0.000 0.251 395 I C 1.128 177.337 176.117 0.154 0.000 1.133 395 I CA 1.346 62.682 61.300 0.060 0.000 1.413 395 I CB 0.052 38.019 38.000 -0.054 0.000 1.073 395 I HN 0.265 nan 8.210 nan 0.000 0.424 396 D N 0.361 120.806 120.400 0.074 0.000 2.312 396 D HA -0.101 4.530 4.640 -0.014 0.000 0.211 396 D C 2.150 178.512 176.300 0.103 0.000 0.964 396 D CA 0.564 54.626 54.000 0.104 0.000 0.877 396 D CB -0.146 40.699 40.800 0.075 0.000 0.924 396 D HN 0.380 nan 8.370 nan 0.000 0.515 397 R N -0.198 120.356 120.500 0.090 0.000 2.120 397 R HA -0.012 4.319 4.340 -0.014 0.000 0.234 397 R C 1.799 178.135 176.300 0.061 0.000 1.123 397 R CA 1.320 57.464 56.100 0.073 0.000 0.975 397 R CB 0.064 30.401 30.300 0.062 0.000 0.866 397 R HN 0.166 nan 8.270 nan 0.000 0.446 398 G N -1.981 106.867 108.800 0.081 0.000 3.430 398 G HA2 0.094 4.046 3.960 -0.014 0.000 0.222 398 G HA3 0.094 4.046 3.960 -0.014 0.000 0.222 398 G C -0.504 174.273 174.900 -0.204 0.000 1.102 398 G CA -0.273 44.800 45.100 -0.045 0.000 0.927 398 G HN 0.044 nan 8.290 nan 0.000 0.597 399 Y N 0.748 121.081 120.300 0.054 0.000 2.391 399 Y HA 0.508 5.090 4.550 0.053 0.000 0.341 399 Y C -0.198 175.761 175.900 0.099 0.000 0.965 399 Y CA -1.194 56.956 58.100 0.083 0.000 1.067 399 Y CB 1.985 40.494 38.460 0.083 0.000 1.199 399 Y HN -0.026 nan 8.280 nan 0.000 0.450 400 E N 3.808 124.147 120.200 0.232 0.000 2.130 400 E HA 0.316 4.657 4.350 -0.014 0.000 0.284 400 E C -0.184 176.537 176.600 0.201 0.000 1.018 400 E CA -0.309 56.195 56.400 0.173 0.000 0.817 400 E CB 0.327 30.093 29.700 0.110 0.000 1.078 400 E HN 0.752 nan 8.360 nan 0.000 0.396 401 R N 3.121 123.729 120.500 0.180 0.000 3.770 401 R HA -0.211 4.121 4.340 -0.014 0.000 0.305 401 R C 1.221 177.635 176.300 0.190 0.000 1.184 401 R CA 0.254 56.447 56.100 0.155 0.000 0.823 401 R CB -1.287 29.077 30.300 0.106 0.000 1.285 401 R HN 0.682 nan 8.270 nan 0.000 0.499 402 I N 1.717 122.440 120.570 0.255 0.000 2.181 402 I HA -0.326 3.835 4.170 -0.014 0.000 0.247 402 I C 2.358 178.562 176.117 0.144 0.000 1.081 402 I CA 2.398 63.854 61.300 0.259 0.000 1.340 402 I CB -0.598 37.490 38.000 0.145 0.000 1.036 402 I HN 0.436 nan 8.210 nan 0.000 0.417 403 E N -0.073 120.159 120.200 0.052 0.000 2.072 403 E HA -0.235 4.107 4.350 -0.014 0.000 0.191 403 E C 1.658 178.215 176.600 -0.072 0.000 0.985 403 E CA 1.480 57.782 56.400 -0.163 0.000 0.801 403 E CB -0.044 29.470 29.700 -0.311 0.000 0.750 403 E HN 0.436 nan 8.360 nan 0.000 0.452 404 D N 0.881 121.280 120.400 -0.000 0.000 2.117 404 D HA -0.121 4.510 4.640 -0.014 0.000 0.197 404 D C 1.874 178.177 176.300 0.004 0.000 0.987 404 D CA 1.141 55.142 54.000 0.001 0.000 0.829 404 D CB -0.088 40.723 40.800 0.018 0.000 0.961 404 D HN 0.206 nan 8.370 nan 0.000 0.460 405 K N 0.105 120.531 120.400 0.043 0.000 2.097 405 K HA -0.018 4.294 4.320 -0.014 0.000 0.205 405 K C 2.285 178.916 176.600 0.052 0.000 1.050 405 K CA 0.516 56.801 56.287 -0.003 0.000 0.938 405 K CB -0.091 32.403 32.500 -0.010 0.000 0.718 405 K HN 0.145 nan 8.250 nan 0.000 0.442 406 L N 0.479 121.792 121.223 0.150 0.000 2.027 406 L HA -0.142 4.190 4.340 -0.014 0.000 0.206 406 L C 2.709 179.591 176.870 0.020 0.000 1.074 406 L CA 1.079 55.991 54.840 0.119 0.000 0.745 406 L CB -0.316 41.777 42.059 0.057 0.000 0.898 406 L HN 0.144 nan 8.230 nan 0.000 0.433 407 R N 0.386 120.873 120.500 -0.023 0.000 2.105 407 R HA -0.179 4.153 4.340 -0.014 0.000 0.239 407 R C 2.127 178.411 176.300 -0.027 0.000 1.135 407 R CA 1.455 57.532 56.100 -0.038 0.000 0.967 407 R CB -0.218 30.050 30.300 -0.054 0.000 0.861 407 R HN 0.351 nan 8.270 nan 0.000 0.442 408 A N 0.076 122.880 122.820 -0.027 0.000 2.168 408 A HA 0.026 4.338 4.320 -0.014 0.000 0.215 408 A C 1.757 179.321 177.584 -0.033 0.000 1.152 408 A CA 0.645 52.661 52.037 -0.036 0.000 0.716 408 A CB -0.112 18.858 19.000 -0.051 0.000 0.794 408 A HN 0.348 nan 8.150 nan 0.000 0.465 409 L N -1.716 119.496 121.223 -0.018 0.000 2.607 409 L HA 0.256 4.588 4.340 -0.014 0.000 0.228 409 L C 1.522 178.390 176.870 -0.003 0.000 1.123 409 L CA 0.584 55.421 54.840 -0.004 0.000 0.890 409 L CB 0.110 42.188 42.059 0.032 0.000 1.103 409 L HN 0.528 nan 8.230 nan 0.000 0.468 410 G N 0.118 108.911 108.800 -0.011 0.000 2.148 410 G HA2 -0.199 3.753 3.960 -0.014 0.000 0.203 410 G HA3 -0.199 3.753 3.960 -0.014 0.000 0.203 410 G C 0.338 175.228 174.900 -0.016 0.000 0.993 410 G CA -0.121 44.971 45.100 -0.014 0.000 0.661 410 G HN 0.422 nan 8.290 nan 0.000 0.518 411 A N -0.198 122.611 122.820 -0.018 0.000 2.407 411 A HA 0.631 4.943 4.320 -0.014 0.000 0.248 411 A C 0.397 177.954 177.584 -0.046 0.000 1.082 411 A CA 0.600 52.618 52.037 -0.031 0.000 0.785 411 A CB 0.303 19.281 19.000 -0.037 0.000 1.020 411 A HN 0.847 nan 8.150 nan 0.000 0.489 412 N N 1.523 120.194 118.700 -0.048 0.000 2.707 412 N HA 0.500 5.232 4.740 -0.014 0.000 0.235 412 N C -1.198 174.268 175.510 -0.073 0.000 1.028 412 N CA -0.233 52.787 53.050 -0.050 0.000 0.906 412 N CB 0.084 38.552 38.487 -0.031 0.000 1.131 412 N HN 0.565 nan 8.380 nan 0.000 0.509 413 I N 1.464 121.964 120.570 -0.117 0.000 2.545 413 I HA 0.306 4.467 4.170 -0.014 0.000 0.292 413 I C -0.523 175.490 176.117 -0.172 0.000 1.040 413 I CA -0.802 60.384 61.300 -0.192 0.000 1.068 413 I CB 2.162 39.938 38.000 -0.373 0.000 1.251 413 I HN 0.476 nan 8.210 nan 0.000 0.424 414 E N 6.287 126.417 120.200 -0.116 0.000 2.224 414 E HA 0.339 4.680 4.350 -0.014 0.000 0.265 414 E C -0.805 175.830 176.600 0.058 0.000 0.878 414 E CA -0.880 55.495 56.400 -0.042 0.000 0.759 414 E CB 1.964 31.665 29.700 0.002 0.000 1.164 414 E HN 0.499 nan 8.360 nan 0.000 0.414 415 R N 3.213 123.784 120.500 0.118 0.000 2.442 415 R HA 0.269 4.601 4.340 -0.014 0.000 0.291 415 R C -1.040 175.367 176.300 0.179 0.000 1.069 415 R CA -0.181 56.117 56.100 0.330 0.000 1.022 415 R CB 0.687 31.203 30.300 0.359 0.000 0.976 415 R HN 0.277 nan 8.270 nan 0.000 0.443 416 V N 4.931 124.944 119.914 0.165 0.000 2.815 416 V HA 0.210 4.322 4.120 -0.014 0.000 0.314 416 V C 0.939 177.073 176.094 0.067 0.000 1.064 416 V CA -0.785 61.570 62.300 0.093 0.000 0.952 416 V CB 1.716 33.587 31.823 0.080 0.000 1.020 416 V HN 0.868 nan 8.190 nan 0.000 0.439 417 K N 1.826 122.254 120.400 0.045 0.000 2.028 417 K HA 0.192 4.503 4.320 -0.014 0.000 0.211 417 K C 0.733 177.346 176.600 0.022 0.000 1.034 417 K CA 1.014 57.317 56.287 0.028 0.000 0.999 417 K CB -0.313 32.199 32.500 0.020 0.000 1.060 417 K HN 0.860 nan 8.250 nan 0.000 0.451 418 G N 0.000 108.811 108.800 0.018 0.000 5.446 418 G HA2 0.000 3.952 3.960 -0.014 0.000 0.244 418 G HA3 0.000 3.952 3.960 -0.014 0.000 0.244 418 G CA 0.000 45.108 45.100 0.014 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925