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 2ijz_1_C DATA FIRST_RESID 9 DATA SEQUENCE LIDFLKASPT PFHATASLAR RLEAAGYRRL DEXXXXXXXX GGRYYVTRND DATA SEQUENCE SSLIAIRLGX XSPLESGFRL VGAHTDSPCL RVKPNPEIAR NGFLQLGVEV DATA SEQUENCE YGGALFAPWF DRDLSLAGRV TFRANGKLES RLVDFRKAIA VIPNLNXXXX DATA SEQUENCE XXXXXXXPIN AQNELPPIIA QLAPGEXXXX XXXXXXXXXX XXXXTADVVL DATA SEQUENCE DYELSFYDTQ SAAVVGLNDE FIAGARLDNL LSCHAGLEAL LNAEGDENCI DATA SEQUENCE LVCTDHEEVG SCSHCGADGP FLEQVLRRLL PEGDAFSRAI QRSLLVSADN DATA SEQUENCE AHGVHPNYAD RHDANHGPAL NGGPVIKINS NQRYATNSET AGFFRHLCQD DATA SEQUENCE SEVPVQSFVT RSDMGCGSTI GPITASQVGV RTVDIGLPTF AMHSIRELAG DATA SEQUENCE SHDLAHLVKV LGAFYASS 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.667 176.870 -0.338 0.000 1.165 9 L CA 0.000 54.283 54.840 -0.928 0.000 0.813 9 L CB 0.000 nan 42.059 nan 0.000 0.961 10 I N 1.585 122.031 120.570 -0.206 0.000 2.436 10 I HA 0.473 4.644 4.170 0.001 0.000 0.289 10 I C -0.188 175.911 176.117 -0.030 0.000 1.083 10 I CA 0.045 61.301 61.300 -0.073 0.000 1.372 10 I CB 0.670 38.661 38.000 -0.015 0.000 1.408 10 I HN 0.691 nan 8.210 nan 0.000 0.516 11 D N 7.343 127.748 120.400 0.009 0.000 3.038 11 D HA 0.076 4.717 4.640 0.001 0.000 0.243 11 D C 0.073 176.451 176.300 0.130 0.000 1.245 11 D CA 0.475 54.498 54.000 0.037 0.000 0.871 11 D CB 0.051 40.868 40.800 0.029 0.000 1.089 11 D HN 0.632 nan 8.370 nan 0.000 0.464 12 F N -0.048 119.873 119.950 -0.048 0.000 2.671 12 F HA 0.191 4.718 4.527 0.001 0.000 0.303 12 F C 1.162 176.936 175.800 -0.044 0.000 0.935 12 F CA -0.131 57.845 58.000 -0.039 0.000 1.136 12 F CB 0.145 39.123 39.000 -0.037 0.000 0.929 12 F HN 0.026 nan 8.300 nan 0.000 0.659 13 L N -0.080 121.080 121.223 -0.106 0.000 2.509 13 L HA 0.233 4.574 4.340 0.001 0.000 0.222 13 L C 1.795 178.569 176.870 -0.160 0.000 1.123 13 L CA 0.955 55.677 54.840 -0.198 0.000 0.856 13 L CB -0.348 41.657 42.059 -0.091 0.000 0.985 13 L HN 0.078 nan 8.230 nan 0.000 0.456 14 K N 1.611 121.949 120.400 -0.103 0.000 2.243 14 K HA 0.151 4.472 4.320 0.001 0.000 0.201 14 K C 1.575 178.138 176.600 -0.062 0.000 1.051 14 K CA 1.155 57.401 56.287 -0.068 0.000 0.970 14 K CB -0.057 32.417 32.500 -0.043 0.000 0.755 14 K HN 0.391 nan 8.250 nan 0.000 0.465 15 A N -0.249 122.513 122.820 -0.096 0.000 2.359 15 A HA 0.197 4.518 4.320 0.001 0.000 0.240 15 A C 1.056 178.546 177.584 -0.156 0.000 1.306 15 A CA 0.174 52.156 52.037 -0.092 0.000 0.898 15 A CB -0.190 18.772 19.000 -0.064 0.000 0.956 15 A HN 0.250 nan 8.150 nan 0.000 0.497 16 S N 0.428 116.022 115.700 -0.178 0.000 2.691 16 S HA 0.078 4.548 4.470 0.001 0.000 0.241 16 S C -0.783 173.741 174.600 -0.126 0.000 1.077 16 S CA 0.584 58.667 58.200 -0.196 0.000 0.900 16 S CB -0.345 62.688 63.200 -0.278 0.000 0.805 16 S HN 0.541 nan 8.310 nan 0.000 0.529 17 P HA 0.074 nan 4.420 nan 0.000 0.229 17 P C 0.958 178.237 177.300 -0.035 0.000 1.160 17 P CA 1.080 64.093 63.100 -0.144 0.000 0.777 17 P CB -0.302 31.306 31.700 -0.153 0.000 0.814 18 T N 1.388 115.984 114.554 0.069 0.000 2.674 18 T HA -0.044 4.306 4.350 0.001 0.000 0.265 18 T C -0.641 174.112 174.700 0.089 0.000 1.039 18 T CA 2.268 64.448 62.100 0.133 0.000 1.150 18 T CB -1.815 67.098 68.868 0.075 0.000 0.864 18 T HN 0.255 nan 8.240 nan 0.000 0.427 19 P HA 0.057 nan 4.420 nan 0.000 0.225 19 P C 1.114 178.430 177.300 0.027 0.000 1.156 19 P CA 0.435 63.548 63.100 0.023 0.000 0.787 19 P CB -0.135 31.566 31.700 0.002 0.000 0.802 20 F N 0.480 120.347 119.950 -0.138 0.000 2.084 20 F HA -0.185 4.343 4.527 0.001 0.000 0.296 20 F C 2.180 177.891 175.800 -0.150 0.000 1.111 20 F CA 1.773 59.659 58.000 -0.189 0.000 1.224 20 F CB -0.974 37.851 39.000 -0.291 0.000 0.991 20 F HN -0.026 nan 8.300 nan 0.000 0.471 21 H N -0.456 118.560 119.070 -0.089 0.000 2.422 21 H HA -0.093 4.464 4.556 0.001 0.000 0.298 21 H C 2.314 177.533 175.328 -0.181 0.000 1.098 21 H CA 1.119 57.064 56.048 -0.172 0.000 1.315 21 H CB -0.338 29.413 29.762 -0.018 0.000 1.382 21 H HN 0.388 nan 8.280 nan 0.000 0.523 22 A N 0.288 123.103 122.820 -0.007 0.000 1.930 22 A HA -0.178 4.143 4.320 0.001 0.000 0.217 22 A C 2.462 179.987 177.584 -0.097 0.000 1.175 22 A CA 1.884 53.900 52.037 -0.035 0.000 0.627 22 A CB -0.789 18.205 19.000 -0.010 0.000 0.815 22 A HN 0.576 nan 8.150 nan 0.000 0.443 23 T N -2.936 111.522 114.554 -0.159 0.000 2.978 23 T HA 0.348 4.699 4.350 0.001 0.000 0.262 23 T C 1.262 175.787 174.700 -0.292 0.000 1.063 23 T CA 0.828 62.814 62.100 -0.191 0.000 1.140 23 T CB -0.250 68.518 68.868 -0.167 0.000 0.886 23 T HN 0.578 nan 8.240 nan 0.000 0.470 24 A N 2.216 124.741 122.820 -0.491 0.000 3.105 24 A HA 0.526 4.846 4.320 0.001 0.000 0.272 24 A C 1.994 179.410 177.584 -0.280 0.000 1.466 24 A CA 0.126 51.828 52.037 -0.559 0.000 1.101 24 A CB -0.874 17.375 19.000 -1.252 0.000 1.065 24 A HN 0.572 nan 8.150 nan 0.000 0.643 25 S N -0.636 114.952 115.700 -0.186 0.000 2.419 25 S HA 0.032 4.503 4.470 0.001 0.000 0.233 25 S C 0.647 175.182 174.600 -0.109 0.000 1.016 25 S CA 0.866 58.995 58.200 -0.119 0.000 0.974 25 S CB -0.311 62.826 63.200 -0.105 0.000 0.786 25 S HN 0.501 nan 8.310 nan 0.000 0.492 26 L N -0.975 120.178 121.223 -0.117 0.000 2.177 26 L HA 0.834 5.175 4.340 0.001 0.000 0.255 26 L C 1.287 178.125 176.870 -0.054 0.000 1.065 26 L CA 0.008 54.792 54.840 -0.092 0.000 0.982 26 L CB 0.557 42.543 42.059 -0.121 0.000 1.559 26 L HN -0.036 nan 8.230 nan 0.000 0.492 27 A N -0.051 122.759 122.820 -0.017 0.000 1.897 27 A HA -0.080 4.241 4.320 0.001 0.000 0.215 27 A C 1.879 179.484 177.584 0.035 0.000 1.181 27 A CA 1.662 53.721 52.037 0.036 0.000 0.620 27 A CB -0.562 18.483 19.000 0.076 0.000 0.821 27 A HN 0.742 nan 8.150 nan 0.000 0.443 28 R N -1.776 118.737 120.500 0.021 0.000 2.210 28 R HA 0.150 4.490 4.340 0.001 0.000 0.203 28 R C 1.647 177.951 176.300 0.007 0.000 1.010 28 R CA 0.354 56.476 56.100 0.036 0.000 1.008 28 R CB -0.146 30.183 30.300 0.047 0.000 0.923 28 R HN 0.162 nan 8.270 nan 0.000 0.469 29 R N 1.021 121.494 120.500 -0.045 0.000 2.193 29 R HA 0.056 4.397 4.340 0.001 0.000 0.213 29 R C 2.085 178.298 176.300 -0.144 0.000 1.055 29 R CA 0.549 56.595 56.100 -0.090 0.000 0.995 29 R CB -0.499 29.732 30.300 -0.115 0.000 0.893 29 R HN 0.314 nan 8.270 nan 0.000 0.459 30 L N 0.981 122.127 121.223 -0.128 0.000 2.072 30 L HA -0.137 4.203 4.340 0.001 0.000 0.205 30 L C 2.321 179.183 176.870 -0.013 0.000 1.079 30 L CA 1.411 56.161 54.840 -0.150 0.000 0.752 30 L CB -0.105 41.920 42.059 -0.055 0.000 0.906 30 L HN 0.035 nan 8.230 nan 0.000 0.436 31 E N 0.009 120.231 120.200 0.035 0.000 2.077 31 E HA -0.228 4.123 4.350 0.001 0.000 0.193 31 E C 2.024 178.684 176.600 0.099 0.000 0.989 31 E CA 1.544 58.010 56.400 0.109 0.000 0.800 31 E CB -0.134 29.649 29.700 0.139 0.000 0.746 31 E HN 0.552 nan 8.360 nan 0.000 0.452 32 A N 0.595 123.412 122.820 -0.004 0.000 1.873 32 A HA -0.029 4.292 4.320 0.001 0.000 0.215 32 A C 2.381 179.688 177.584 -0.461 0.000 1.186 32 A CA 1.872 53.770 52.037 -0.232 0.000 0.616 32 A CB -0.907 18.030 19.000 -0.105 0.000 0.823 32 A HN 0.370 nan 8.150 nan 0.000 0.442 33 A N -0.666 122.014 122.820 -0.233 0.000 2.119 33 A HA 0.263 4.584 4.320 0.001 0.000 0.217 33 A C 2.191 179.783 177.584 0.012 0.000 1.153 33 A CA 1.525 53.476 52.037 -0.143 0.000 0.692 33 A CB -0.994 17.893 19.000 -0.188 0.000 0.799 33 A HN 0.623 nan 8.150 nan 0.000 0.458 34 G N -0.135 108.673 108.800 0.013 0.000 2.454 34 G HA2 -0.187 3.774 3.960 0.001 0.000 0.214 34 G HA3 -0.187 3.774 3.960 0.001 0.000 0.214 34 G C 1.476 176.319 174.900 -0.096 0.000 1.217 34 G CA 1.164 46.291 45.100 0.045 0.000 0.799 34 G HN 0.826 nan 8.290 nan 0.000 0.538 35 Y N 0.076 120.279 120.300 -0.161 0.000 2.516 35 Y HA 0.305 4.855 4.550 0.001 0.000 0.291 35 Y C 2.645 178.443 175.900 -0.170 0.000 1.131 35 Y CA 0.495 58.384 58.100 -0.352 0.000 1.281 35 Y CB -0.146 38.016 38.460 -0.498 0.000 1.013 35 Y HN -0.002 nan 8.280 nan 0.000 0.554 36 R N 0.443 120.676 120.500 -0.446 0.000 2.115 36 R HA -0.078 4.262 4.340 0.001 0.000 0.230 36 R C 2.374 178.619 176.300 -0.093 0.000 1.111 36 R CA 1.368 57.320 56.100 -0.246 0.000 0.976 36 R CB -0.160 29.960 30.300 -0.300 0.000 0.870 36 R HN 0.378 nan 8.270 nan 0.000 0.445 37 R N 0.430 120.873 120.500 -0.095 0.000 2.146 37 R HA 0.036 4.377 4.340 0.001 0.000 0.206 37 R C 0.458 176.723 176.300 -0.059 0.000 1.049 37 R CA 0.183 56.245 56.100 -0.064 0.000 1.029 37 R CB 0.079 30.334 30.300 -0.075 0.000 0.949 37 R HN 0.033 nan 8.270 nan 0.000 0.471 38 L N 3.958 125.128 121.223 -0.088 0.000 2.376 38 L HA 0.095 4.436 4.340 0.001 0.000 0.250 38 L C -1.557 175.281 176.870 -0.053 0.000 1.335 38 L CA 0.434 55.217 54.840 -0.095 0.000 1.214 38 L CB -0.285 41.682 42.059 -0.152 0.000 1.395 38 L HN 0.168 nan 8.230 nan 0.000 0.424 39 D N 2.454 122.864 120.400 0.017 0.000 2.688 39 D HA 0.245 4.886 4.640 0.001 0.000 0.210 39 D C -0.718 175.613 176.300 0.053 0.000 1.333 39 D CA -0.497 53.558 54.000 0.091 0.000 0.920 39 D CB 1.010 41.913 40.800 0.172 0.000 1.554 39 D HN 0.077 nan 8.370 nan 0.000 0.579 50 G N 0.231 108.951 108.800 -0.133 0.000 2.562 50 G HA2 0.600 4.561 3.960 0.001 0.000 0.275 50 G HA3 0.600 4.561 3.960 0.001 0.000 0.275 50 G C 0.368 174.995 174.900 -0.455 0.000 1.196 50 G CA -0.688 44.143 45.100 -0.448 0.000 0.908 50 G HN 0.735 nan 8.290 nan 0.000 0.524 51 R N -1.160 118.898 120.500 -0.737 0.000 2.522 51 R HA 0.221 4.562 4.340 0.001 0.000 0.418 51 R C -1.174 174.997 176.300 -0.215 0.000 0.973 51 R CA -0.838 55.063 56.100 -0.331 0.000 1.096 51 R CB -1.199 28.989 30.300 -0.186 0.000 1.449 51 R HN 0.408 nan 8.270 nan 0.000 0.622 52 Y N 1.072 121.415 120.300 0.072 0.000 2.299 52 Y HA 0.480 5.031 4.550 0.001 0.000 0.335 52 Y C 0.486 176.464 175.900 0.130 0.000 1.287 52 Y CA -0.765 57.356 58.100 0.036 0.000 1.424 52 Y CB 0.414 38.856 38.460 -0.029 0.000 1.326 52 Y HN 0.253 nan 8.280 nan 0.000 0.567 53 Y N -2.672 117.739 120.300 0.185 0.000 2.534 53 Y HA 0.778 5.329 4.550 0.001 0.000 0.345 53 Y C -1.856 174.082 175.900 0.064 0.000 1.031 53 Y CA -1.839 56.326 58.100 0.109 0.000 1.022 53 Y CB 0.668 39.180 38.460 0.086 0.000 1.292 53 Y HN 0.329 nan 8.280 nan 0.000 0.459 54 V N 2.359 122.389 119.914 0.195 0.000 2.513 54 V HA 0.428 4.549 4.120 0.001 0.000 0.299 54 V C -0.047 176.134 176.094 0.146 0.000 1.035 54 V CA -0.177 62.174 62.300 0.085 0.000 0.889 54 V CB 1.570 33.418 31.823 0.042 0.000 0.988 54 V HN 1.097 nan 8.190 nan 0.000 0.440 55 T N 1.641 116.246 114.554 0.085 0.000 2.999 55 T HA 0.169 4.519 4.350 0.001 0.000 0.247 55 T C 1.433 176.154 174.700 0.035 0.000 1.012 55 T CA 0.478 62.630 62.100 0.085 0.000 1.048 55 T CB 0.156 69.057 68.868 0.055 0.000 1.020 55 T HN 0.679 nan 8.240 nan 0.000 0.478 56 R N 0.983 121.483 120.500 -0.000 0.000 3.692 56 R HA -0.321 4.020 4.340 0.001 0.000 0.302 56 R C 1.119 177.404 176.300 -0.024 0.000 0.595 56 R CA 2.219 58.307 56.100 -0.021 0.000 1.154 56 R CB -1.535 28.749 30.300 -0.026 0.000 0.832 56 R HN 0.420 nan 8.270 nan 0.000 0.575 57 N N 1.159 119.848 118.700 -0.018 0.000 2.383 57 N HA -0.070 4.671 4.740 0.001 0.000 0.192 57 N C -0.691 174.812 175.510 -0.013 0.000 1.141 57 N CA 1.062 54.094 53.050 -0.030 0.000 0.851 57 N CB 0.152 38.618 38.487 -0.035 0.000 0.976 57 N HN 0.371 nan 8.380 nan 0.000 0.465 58 D N -0.651 119.758 120.400 0.014 0.000 3.041 58 D HA -0.129 4.512 4.640 0.001 0.000 0.220 58 D C -0.000 176.342 176.300 0.070 0.000 1.157 58 D CA 0.809 54.837 54.000 0.046 0.000 0.876 58 D CB -1.356 39.464 40.800 0.033 0.000 1.107 58 D HN 0.278 nan 8.370 nan 0.000 0.422 59 S N -1.772 113.970 115.700 0.070 0.000 2.546 59 S HA 0.092 4.563 4.470 0.001 0.000 0.282 59 S C 0.217 174.881 174.600 0.107 0.000 1.074 59 S CA -0.185 58.069 58.200 0.090 0.000 1.254 59 S CB 1.164 64.416 63.200 0.087 0.000 1.103 59 S HN 0.100 nan 8.310 nan 0.000 0.589 60 S N 2.264 118.020 115.700 0.093 0.000 2.520 60 S HA 0.603 5.074 4.470 0.001 0.000 0.324 60 S C -0.981 173.676 174.600 0.096 0.000 1.069 60 S CA -0.386 57.878 58.200 0.107 0.000 1.121 60 S CB 1.299 64.548 63.200 0.081 0.000 0.971 60 S HN 0.287 nan 8.310 nan 0.000 0.463 61 L N 4.684 125.970 121.223 0.105 0.000 2.309 61 L HA 0.656 4.996 4.340 0.001 0.000 0.282 61 L C -1.071 175.872 176.870 0.122 0.000 1.036 61 L CA -0.311 54.600 54.840 0.120 0.000 0.806 61 L CB 0.915 43.040 42.059 0.110 0.000 1.220 61 L HN 0.592 nan 8.230 nan 0.000 0.429 62 I N 4.870 125.530 120.570 0.150 0.000 2.439 62 I HA 0.485 4.655 4.170 0.001 0.000 0.283 62 I C -0.454 175.777 176.117 0.189 0.000 1.023 62 I CA -0.535 60.858 61.300 0.156 0.000 1.100 62 I CB 1.832 39.918 38.000 0.142 0.000 1.238 62 I HN 0.715 nan 8.210 nan 0.000 0.445 63 A N 8.056 130.977 122.820 0.168 0.000 2.341 63 A HA 0.746 5.067 4.320 0.001 0.000 0.326 63 A C -0.481 177.194 177.584 0.153 0.000 1.402 63 A CA -0.326 51.817 52.037 0.177 0.000 0.957 63 A CB -0.177 18.890 19.000 0.111 0.000 1.151 63 A HN 0.593 nan 8.150 nan 0.000 0.533 64 I N 2.038 122.717 120.570 0.182 0.000 2.428 64 I HA 0.545 4.715 4.170 0.001 0.000 0.296 64 I C 0.657 176.846 176.117 0.120 0.000 0.985 64 I CA -0.283 61.128 61.300 0.186 0.000 1.260 64 I CB 1.106 39.254 38.000 0.246 0.000 1.389 64 I HN 0.613 nan 8.210 nan 0.000 0.484 65 R N 6.600 127.152 120.500 0.087 0.000 2.538 65 R HA 0.594 4.934 4.340 0.001 0.000 0.292 65 R C -2.021 174.283 176.300 0.007 0.000 1.008 65 R CA -0.577 55.518 56.100 -0.008 0.000 0.896 65 R CB 1.350 31.604 30.300 -0.077 0.000 1.187 65 R HN 0.698 nan 8.270 nan 0.000 0.440 66 L N 2.711 123.923 121.223 -0.017 0.000 2.334 66 L HA 0.741 5.082 4.340 0.001 0.000 0.275 66 L C 0.815 177.661 176.870 -0.040 0.000 1.036 66 L CA -0.778 54.057 54.840 -0.008 0.000 0.807 66 L CB 1.994 44.073 42.059 0.034 0.000 1.231 66 L HN 0.821 nan 8.230 nan 0.000 0.438 71 P HA 0.255 nan 4.420 nan 0.000 0.262 71 P C 0.963 178.227 177.300 -0.061 0.000 1.647 71 P CA 0.067 63.118 63.100 -0.081 0.000 0.865 71 P CB -0.198 31.457 31.700 -0.074 0.000 1.834 72 L N 0.020 121.212 121.223 -0.052 0.000 3.497 72 L HA -0.341 3.999 4.340 0.001 0.000 0.054 72 L C 1.249 178.105 176.870 -0.024 0.000 4.400 72 L CA 2.702 57.533 54.840 -0.015 0.000 0.545 72 L CB -1.235 40.826 42.059 0.004 0.000 3.530 72 L HN 0.325 nan 8.230 nan 0.000 0.785 73 E N -0.577 119.607 120.200 -0.027 0.000 2.368 73 E HA 0.172 4.522 4.350 0.001 0.000 0.188 73 E C 1.364 177.943 176.600 -0.036 0.000 1.061 73 E CA 0.781 57.168 56.400 -0.023 0.000 0.933 73 E CB 0.542 30.235 29.700 -0.011 0.000 1.091 73 E HN 0.530 nan 8.360 nan 0.000 0.458 74 S N 0.009 115.670 115.700 -0.065 0.000 2.497 74 S HA 0.339 4.810 4.470 0.001 0.000 0.218 74 S C 0.981 175.526 174.600 -0.092 0.000 1.023 74 S CA 0.701 58.854 58.200 -0.078 0.000 0.913 74 S CB -0.059 63.078 63.200 -0.104 0.000 0.800 74 S HN 0.625 nan 8.310 nan 0.000 0.505 75 G N 0.414 109.147 108.800 -0.112 0.000 2.782 75 G HA2 -0.189 3.771 3.960 0.001 0.000 0.228 75 G HA3 -0.189 3.771 3.960 0.001 0.000 0.228 75 G C -0.595 174.202 174.900 -0.171 0.000 1.372 75 G CA -0.334 44.720 45.100 -0.076 0.000 0.862 75 G HN 0.382 nan 8.290 nan 0.000 0.547 76 F N -0.094 119.856 119.950 0.000 0.000 2.541 76 F HA 0.765 5.293 4.527 0.001 0.000 0.331 76 F C 1.153 176.976 175.800 0.039 0.000 1.057 76 F CA -0.878 57.137 58.000 0.025 0.000 0.975 76 F CB 1.903 40.925 39.000 0.038 0.000 1.246 76 F HN 0.250 nan 8.300 nan 0.000 0.484 77 R N 3.041 123.732 120.500 0.318 0.000 2.868 77 R HA 0.329 4.669 4.340 0.001 0.000 0.289 77 R C -1.411 175.143 176.300 0.423 0.000 1.443 77 R CA -0.533 55.706 56.100 0.230 0.000 1.651 77 R CB -0.079 30.168 30.300 -0.089 0.000 1.242 77 R HN 0.458 nan 8.270 nan 0.000 0.621 78 L N 0.465 121.911 121.223 0.371 0.000 2.439 78 L HA 0.392 4.733 4.340 0.001 0.000 0.269 78 L C 0.557 177.588 176.870 0.268 0.000 1.179 78 L CA -0.013 54.984 54.840 0.260 0.000 0.828 78 L CB 0.776 42.892 42.059 0.095 0.000 1.106 78 L HN 0.015 nan 8.230 nan 0.000 0.467 79 V N 1.007 121.041 119.914 0.199 0.000 3.036 79 V HA 0.907 5.028 4.120 0.001 0.000 0.288 79 V C -0.706 175.440 176.094 0.086 0.000 1.407 79 V CA 0.321 62.679 62.300 0.098 0.000 0.983 79 V CB 1.915 33.804 31.823 0.110 0.000 1.128 79 V HN 0.908 nan 8.190 nan 0.000 0.439 80 G N 3.323 112.137 108.800 0.023 0.000 2.601 80 G HA2 0.977 4.938 3.960 0.001 0.000 0.291 80 G HA3 0.977 4.938 3.960 0.001 0.000 0.291 80 G C -1.219 173.660 174.900 -0.035 0.000 1.456 80 G CA 0.004 45.108 45.100 0.006 0.000 0.804 80 G HN 1.906 nan 8.290 nan 0.000 0.499 81 A N 0.120 122.874 122.820 -0.109 0.000 2.589 81 A HA 0.788 5.109 4.320 0.001 0.000 0.296 81 A C -0.522 176.942 177.584 -0.199 0.000 1.062 81 A CA -0.562 51.407 52.037 -0.113 0.000 0.686 81 A CB 0.735 19.687 19.000 -0.080 0.000 1.282 81 A HN 2.015 nan 8.150 nan 0.000 0.404 82 H N -0.393 118.643 119.070 -0.057 0.000 2.679 82 H HA 0.536 5.092 4.556 0.001 0.000 0.369 82 H C 1.139 176.499 175.328 0.054 0.000 1.178 82 H CA 0.371 56.442 56.048 0.039 0.000 1.419 82 H CB 0.509 30.410 29.762 0.231 0.000 1.458 82 H HN 0.588 nan 8.280 nan 0.000 0.605 83 T N -1.875 112.794 114.554 0.191 0.000 3.033 83 T HA -0.036 4.315 4.350 0.001 0.000 0.248 83 T C 0.548 175.353 174.700 0.175 0.000 1.040 83 T CA 0.167 62.347 62.100 0.132 0.000 1.133 83 T CB -0.328 68.615 68.868 0.125 0.000 0.895 83 T HN 0.820 nan 8.240 nan 0.000 0.465 84 D N 2.687 123.260 120.400 0.289 0.000 2.357 84 D HA 0.330 4.971 4.640 0.001 0.000 0.242 84 D C -0.323 176.136 176.300 0.266 0.000 1.153 84 D CA -0.292 53.864 54.000 0.261 0.000 0.918 84 D CB 1.151 42.134 40.800 0.305 0.000 1.181 84 D HN 0.492 nan 8.370 nan 0.000 0.435 85 S N -1.018 114.788 115.700 0.175 0.000 2.546 85 S HA 0.473 4.944 4.470 0.001 0.000 0.272 85 S C -3.095 171.526 174.600 0.035 0.000 1.140 85 S CA -1.487 56.756 58.200 0.072 0.000 0.920 85 S CB 1.522 64.747 63.200 0.041 0.000 1.083 85 S HN 0.194 nan 8.310 nan 0.000 0.476 86 P HA 0.145 nan 4.420 nan 0.000 0.253 86 P C 0.037 177.331 177.300 -0.011 0.000 1.170 86 P CA 0.099 63.113 63.100 -0.144 0.000 0.806 86 P CB -0.653 30.856 31.700 -0.319 0.000 0.775 87 C N 2.423 121.773 119.300 0.084 0.000 3.321 87 C HA 0.653 5.114 4.460 0.001 0.000 0.363 87 C C -1.012 173.990 174.990 0.021 0.000 1.705 87 C CA -1.087 57.949 59.018 0.030 0.000 1.298 87 C CB 0.329 28.064 27.740 -0.007 0.000 2.086 87 C HN 0.196 nan 8.230 nan 0.000 0.438 88 L N 2.034 123.225 121.223 -0.053 0.000 2.272 88 L HA 0.563 4.904 4.340 0.001 0.000 0.284 88 L C 0.304 177.093 176.870 -0.135 0.000 1.045 88 L CA 0.183 54.973 54.840 -0.083 0.000 0.842 88 L CB 0.339 42.330 42.059 -0.113 0.000 1.224 88 L HN 0.696 nan 8.230 nan 0.000 0.430 89 R N 2.571 122.990 120.500 -0.134 0.000 2.267 89 R HA 0.433 4.773 4.340 0.001 0.000 0.319 89 R C -0.883 175.325 176.300 -0.154 0.000 1.067 89 R CA -0.357 55.616 56.100 -0.212 0.000 0.936 89 R CB 0.596 30.707 30.300 -0.315 0.000 1.006 89 R HN 0.361 nan 8.270 nan 0.000 0.452 90 V N 5.655 125.490 119.914 -0.132 0.000 2.585 90 V HA 0.061 4.182 4.120 0.001 0.000 0.296 90 V C 0.763 176.826 176.094 -0.052 0.000 1.035 90 V CA -0.091 62.166 62.300 -0.071 0.000 1.084 90 V CB 0.568 32.381 31.823 -0.018 0.000 0.953 90 V HN 0.762 nan 8.190 nan 0.000 0.483 91 K N 5.337 125.717 120.400 -0.033 0.000 2.187 91 K HA 0.134 4.455 4.320 0.001 0.000 0.247 91 K C -1.459 175.142 176.600 0.001 0.000 1.019 91 K CA -0.989 55.286 56.287 -0.020 0.000 0.893 91 K CB 0.028 32.523 32.500 -0.008 0.000 1.025 91 K HN 0.370 nan 8.250 nan 0.000 0.500 92 P HA -0.210 nan 4.420 nan 0.000 0.209 92 P C -0.341 176.975 177.300 0.026 0.000 1.167 92 P CA 1.527 64.639 63.100 0.021 0.000 0.941 92 P CB 0.196 31.908 31.700 0.020 0.000 0.787 93 N N -1.333 117.382 118.700 0.024 0.000 2.790 93 N HA 0.180 4.920 4.740 0.001 0.000 0.256 93 N C -2.552 172.972 175.510 0.024 0.000 1.409 93 N CA -0.683 52.387 53.050 0.033 0.000 0.799 93 N CB 1.266 39.760 38.487 0.012 0.000 1.170 93 N HN 0.162 nan 8.380 nan 0.000 0.507 94 P HA 0.234 nan 4.420 nan 0.000 0.206 94 P C -0.543 176.788 177.300 0.051 0.000 1.854 94 P CA -0.190 62.931 63.100 0.034 0.000 0.969 94 P CB 0.173 31.892 31.700 0.031 0.000 1.843 95 E N 1.744 121.968 120.200 0.041 0.000 2.081 95 E HA 0.170 4.521 4.350 0.001 0.000 0.270 95 E C 0.140 176.764 176.600 0.040 0.000 1.180 95 E CA 0.030 56.461 56.400 0.052 0.000 0.926 95 E CB 0.597 30.309 29.700 0.019 0.000 1.035 95 E HN 0.471 nan 8.360 nan 0.000 0.418 96 I N 2.110 122.714 120.570 0.058 0.000 2.371 96 I HA 0.265 4.436 4.170 0.001 0.000 0.282 96 I C 0.061 176.217 176.117 0.064 0.000 1.031 96 I CA -0.683 60.649 61.300 0.053 0.000 1.180 96 I CB 1.403 39.436 38.000 0.056 0.000 1.336 96 I HN 0.280 nan 8.210 nan 0.000 0.467 97 A N 7.556 130.403 122.820 0.046 0.000 2.444 97 A HA 0.661 4.982 4.320 0.001 0.000 0.332 97 A C -0.092 177.506 177.584 0.023 0.000 1.430 97 A CA -0.480 51.581 52.037 0.039 0.000 0.975 97 A CB 0.155 19.167 19.000 0.021 0.000 1.147 97 A HN 0.722 nan 8.150 nan 0.000 0.524 98 R N 2.360 122.886 120.500 0.043 0.000 2.621 98 R HA 0.383 4.724 4.340 0.001 0.000 0.292 98 R C -0.425 175.839 176.300 -0.060 0.000 0.969 98 R CA -0.839 55.276 56.100 0.024 0.000 0.887 98 R CB 1.157 31.505 30.300 0.080 0.000 1.180 98 R HN 0.781 nan 8.270 nan 0.000 0.450 99 N N 1.195 119.798 118.700 -0.162 0.000 2.714 99 N HA -0.213 4.528 4.740 0.001 0.000 0.250 99 N C 0.620 175.616 175.510 -0.856 0.000 1.117 99 N CA 1.579 54.397 53.050 -0.387 0.000 0.719 99 N CB -0.973 37.373 38.487 -0.235 0.000 1.081 99 N HN 1.123 nan 8.380 nan 0.000 0.557 100 G N -1.814 106.663 108.800 -0.538 0.000 2.176 100 G HA2 -0.313 3.647 3.960 0.001 0.000 0.253 100 G HA3 -0.313 3.647 3.960 0.001 0.000 0.253 100 G C -0.046 174.619 174.900 -0.391 0.000 0.979 100 G CA 0.363 45.181 45.100 -0.470 0.000 0.641 100 G HN 0.442 nan 8.290 nan 0.000 0.530 101 F N -0.179 119.775 119.950 0.007 0.000 2.443 101 F HA 0.693 5.221 4.527 0.001 0.000 0.335 101 F C 0.593 176.400 175.800 0.012 0.000 1.104 101 F CA -1.241 56.763 58.000 0.005 0.000 1.013 101 F CB 1.694 40.699 39.000 0.007 0.000 1.136 101 F HN 0.010 nan 8.300 nan 0.000 0.470 102 L N 3.463 124.801 121.223 0.192 0.000 2.276 102 L HA 0.409 4.749 4.340 0.001 0.000 0.286 102 L C -0.737 176.207 176.870 0.124 0.000 1.061 102 L CA -0.151 54.762 54.840 0.122 0.000 0.807 102 L CB 1.034 43.143 42.059 0.084 0.000 1.177 102 L HN 0.704 nan 8.230 nan 0.000 0.429 103 Q N 4.752 124.624 119.800 0.119 0.000 2.413 103 Q HA 0.571 4.912 4.340 0.001 0.000 0.276 103 Q C -1.512 174.559 176.000 0.119 0.000 1.099 103 Q CA -0.831 55.042 55.803 0.118 0.000 0.814 103 Q CB 3.121 31.918 28.738 0.099 0.000 1.379 103 Q HN 0.556 nan 8.270 nan 0.000 0.436 104 L N 1.302 122.606 121.223 0.134 0.000 2.342 104 L HA 0.481 4.821 4.340 0.001 0.000 0.276 104 L C 0.422 177.322 176.870 0.050 0.000 0.997 104 L CA -0.803 54.103 54.840 0.110 0.000 0.838 104 L CB 1.569 43.726 42.059 0.163 0.000 1.224 104 L HN 0.723 nan 8.230 nan 0.000 0.416 105 G N 2.672 111.491 108.800 0.032 0.000 2.414 105 G HA2 0.368 4.328 3.960 0.001 0.000 0.236 105 G HA3 0.368 4.328 3.960 0.001 0.000 0.236 105 G C -0.139 174.750 174.900 -0.017 0.000 1.293 105 G CA -0.133 44.971 45.100 0.006 0.000 0.869 105 G HN 0.445 nan 8.290 nan 0.000 0.556 106 V N 0.079 119.971 119.914 -0.036 0.000 2.823 106 V HA 0.649 4.770 4.120 0.001 0.000 0.312 106 V C -0.274 175.794 176.094 -0.044 0.000 1.072 106 V CA -1.387 60.879 62.300 -0.057 0.000 0.937 106 V CB 2.048 33.819 31.823 -0.088 0.000 1.013 106 V HN 0.756 nan 8.190 nan 0.000 0.430 107 E N 1.609 121.782 120.200 -0.046 0.000 2.266 107 E HA 0.458 4.809 4.350 0.001 0.000 0.277 107 E C -0.706 175.893 176.600 -0.001 0.000 1.018 107 E CA -0.807 55.581 56.400 -0.020 0.000 0.840 107 E CB 2.181 31.868 29.700 -0.022 0.000 1.082 107 E HN 0.639 nan 8.360 nan 0.000 0.395 108 V N 4.181 124.101 119.914 0.010 0.000 2.055 108 V HA -0.034 4.087 4.120 0.001 0.000 0.248 108 V C -0.383 175.731 176.094 0.033 0.000 1.476 108 V CA -0.140 62.167 62.300 0.011 0.000 1.417 108 V CB -1.567 30.256 31.823 -0.000 0.000 1.465 108 V HN 0.522 nan 8.190 nan 0.000 0.502 109 Y N 3.749 124.000 120.300 -0.081 0.000 2.465 109 Y HA 0.503 5.054 4.550 0.002 0.000 0.331 109 Y C 1.114 176.963 175.900 -0.084 0.000 1.102 109 Y CA 1.276 59.322 58.100 -0.089 0.000 1.358 109 Y CB 0.420 38.806 38.460 -0.122 0.000 1.213 109 Y HN 0.773 nan 8.280 nan 0.000 0.525 110 G N 3.732 112.162 108.800 -0.617 0.000 2.509 110 G HA2 -0.187 3.774 3.960 0.001 0.000 0.259 110 G HA3 -0.187 3.774 3.960 0.001 0.000 0.259 110 G C 0.349 175.128 174.900 -0.200 0.000 1.169 110 G CA -0.387 44.409 45.100 -0.507 0.000 0.953 110 G HN 1.286 nan 8.290 nan 0.000 0.563 111 G N -0.414 108.322 108.800 -0.107 0.000 2.634 111 G HA2 0.686 4.647 3.960 0.001 0.000 0.255 111 G HA3 0.686 4.647 3.960 0.001 0.000 0.255 111 G C 0.880 175.796 174.900 0.027 0.000 1.205 111 G CA 1.298 46.468 45.100 0.117 0.000 0.884 111 G HN 1.917 nan 8.290 nan 0.000 0.549 112 A N -0.427 122.402 122.820 0.015 0.000 3.585 112 A HA 0.767 5.088 4.320 0.001 0.000 0.191 112 A C 0.703 178.256 177.584 -0.052 0.000 1.981 112 A CA 0.421 52.442 52.037 -0.027 0.000 1.145 112 A CB -0.719 18.250 19.000 -0.052 0.000 1.217 112 A HN 1.337 nan 8.150 nan 0.000 0.404 113 L N -3.775 117.343 121.223 -0.176 0.000 0.586 113 L HA -0.241 4.100 4.340 0.001 0.000 0.356 113 L C 0.600 177.343 176.870 -0.211 0.000 0.969 113 L CA 0.200 54.828 54.840 -0.354 0.000 1.223 113 L CB -0.807 41.154 42.059 -0.165 0.000 0.020 113 L HN 0.690 nan 8.230 nan 0.000 0.091 114 F N 0.309 120.369 119.950 0.182 0.000 2.100 114 F HA 0.301 4.827 4.527 -0.001 0.000 0.280 114 F C 1.683 177.775 175.800 0.487 0.000 1.276 114 F CA 0.766 58.956 58.000 0.316 0.000 1.109 114 F CB -0.733 38.317 39.000 0.084 0.000 0.982 114 F HN 0.576 nan 8.300 nan 0.000 0.506 115 A N 2.048 125.211 122.820 0.571 0.000 2.526 115 A HA 0.150 4.471 4.320 0.001 0.000 0.267 115 A C -1.472 176.257 177.584 0.241 0.000 1.095 115 A CA -0.970 51.300 52.037 0.389 0.000 0.775 115 A CB -1.051 18.091 19.000 0.237 0.000 1.036 115 A HN 0.328 nan 8.150 nan 0.000 0.510 116 P HA -0.261 nan 4.420 nan 0.000 0.235 116 P C 0.162 177.565 177.300 0.172 0.000 1.024 116 P CA 1.852 65.014 63.100 0.102 0.000 1.059 116 P CB -0.487 31.206 31.700 -0.012 0.000 0.714 117 W N -1.242 120.172 121.300 0.190 0.000 2.484 117 W HA 0.117 4.778 4.660 0.002 0.000 0.337 117 W C 1.080 177.889 176.519 0.482 0.000 1.214 117 W CA 0.843 58.371 57.345 0.305 0.000 1.296 117 W CB -0.827 28.827 29.460 0.322 0.000 1.174 117 W HN 0.063 nan 8.180 nan 0.000 0.564 118 F N -0.923 119.174 119.950 0.246 0.000 2.183 118 F HA -0.350 4.177 4.527 0.001 0.000 0.318 118 F C 0.731 176.589 175.800 0.097 0.000 0.587 118 F CA 0.252 58.342 58.000 0.151 0.000 0.912 118 F CB -1.638 37.448 39.000 0.144 0.000 4.135 118 F HN 0.496 nan 8.300 nan 0.000 0.137 119 D N -0.777 119.814 120.400 0.318 0.000 10.890 119 D HA -0.146 4.494 4.640 0.001 0.000 0.359 119 D C 0.692 177.062 176.300 0.117 0.000 3.118 119 D CA 0.687 54.794 54.000 0.178 0.000 2.613 119 D CB -0.132 40.755 40.800 0.146 0.000 1.178 119 D HN 0.467 nan 8.370 nan 0.000 0.941 120 R N 0.839 121.393 120.500 0.090 0.000 2.070 120 R HA -0.079 4.262 4.340 0.001 0.000 0.233 120 R C -0.003 176.352 176.300 0.093 0.000 1.137 120 R CA 1.497 57.642 56.100 0.075 0.000 0.945 120 R CB -0.635 29.701 30.300 0.061 0.000 0.845 120 R HN 0.663 nan 8.270 nan 0.000 0.430 121 D N -0.347 120.105 120.400 0.086 0.000 10.484 121 D HA -0.175 4.465 4.640 0.001 0.000 0.318 121 D C -0.676 175.730 176.300 0.177 0.000 3.002 121 D CA 0.749 54.807 54.000 0.097 0.000 2.679 121 D CB -0.135 40.740 40.800 0.124 0.000 1.149 121 D HN 0.106 nan 8.370 nan 0.000 0.891 122 L N 0.655 121.934 121.223 0.093 0.000 2.549 122 L HA 0.399 4.740 4.340 0.001 0.000 0.259 122 L C -0.796 176.046 176.870 -0.047 0.000 0.934 122 L CA -0.333 54.600 54.840 0.155 0.000 0.865 122 L CB 2.193 44.309 42.059 0.095 0.000 1.352 122 L HN 0.385 nan 8.230 nan 0.000 0.410 123 S N 5.094 120.817 115.700 0.037 0.000 2.548 123 S HA 0.740 5.211 4.470 0.001 0.000 0.277 123 S C -0.190 174.304 174.600 -0.177 0.000 1.315 123 S CA -0.382 57.769 58.200 -0.083 0.000 1.050 123 S CB 0.412 63.794 63.200 0.304 0.000 0.918 123 S HN 0.557 nan 8.310 nan 0.000 0.497 124 L N 0.791 121.573 121.223 -0.736 0.000 2.568 124 L HA 1.019 5.360 4.340 0.001 0.000 0.257 124 L C -0.682 175.429 176.870 -1.265 0.000 1.024 124 L CA -1.047 53.324 54.840 -0.781 0.000 0.854 124 L CB 1.248 43.093 42.059 -0.357 0.000 1.460 124 L HN 0.823 nan 8.230 nan 0.000 0.409 125 A N 0.116 122.543 122.820 -0.655 0.000 2.435 125 A HA 0.421 4.741 4.320 0.001 0.000 0.465 125 A C -0.321 177.307 177.584 0.072 0.000 0.754 125 A CA -0.243 51.627 52.037 -0.278 0.000 0.431 125 A CB -1.689 17.149 19.000 -0.270 0.000 2.477 125 A HN 1.900 nan 8.150 nan 0.000 0.592 126 G N -0.109 108.775 108.800 0.141 0.000 2.333 126 G HA2 0.555 4.516 3.960 0.001 0.000 0.290 126 G HA3 0.555 4.516 3.960 0.001 0.000 0.290 126 G C -0.052 174.962 174.900 0.191 0.000 1.150 126 G CA 0.288 45.479 45.100 0.152 0.000 0.895 126 G HN 0.908 nan 8.290 nan 0.000 0.444 127 R N 2.812 123.400 120.500 0.147 0.000 2.295 127 R HA 0.422 4.763 4.340 0.001 0.000 0.324 127 R C -0.853 175.446 176.300 -0.002 0.000 0.968 127 R CA -0.582 55.552 56.100 0.057 0.000 0.837 127 R CB 1.393 31.691 30.300 -0.003 0.000 1.133 127 R HN 0.283 nan 8.270 nan 0.000 0.450 128 V N 5.553 125.441 119.914 -0.042 0.000 2.389 128 V HA 0.108 4.229 4.120 0.001 0.000 0.264 128 V C 0.699 176.705 176.094 -0.147 0.000 1.049 128 V CA -0.289 61.964 62.300 -0.079 0.000 0.932 128 V CB 0.800 32.571 31.823 -0.087 0.000 1.011 128 V HN 0.973 nan 8.190 nan 0.000 0.475 129 T N 1.868 116.359 114.554 -0.105 0.000 2.788 129 T HA 0.417 4.768 4.350 0.001 0.000 0.280 129 T C -0.007 174.609 174.700 -0.139 0.000 0.984 129 T CA -0.488 61.546 62.100 -0.111 0.000 0.972 129 T CB 0.405 69.276 68.868 0.005 0.000 1.039 129 T HN 0.197 nan 8.240 nan 0.000 0.530 130 F N 1.467 121.418 119.950 0.001 0.000 2.685 130 F HA 0.379 4.907 4.527 0.001 0.000 0.349 130 F C 1.725 177.526 175.800 0.001 0.000 1.294 130 F CA -0.026 57.975 58.000 0.002 0.000 1.201 130 F CB -0.633 38.369 39.000 0.004 0.000 1.615 130 F HN 0.612 nan 8.300 nan 0.000 0.674 131 R N 1.485 122.051 120.500 0.110 0.000 2.526 131 R HA 0.249 4.589 4.340 0.001 0.000 0.067 131 R C -0.010 176.308 176.300 0.029 0.000 0.504 131 R CA 0.503 56.647 56.100 0.074 0.000 0.732 131 R CB -0.426 29.914 30.300 0.067 0.000 0.925 131 R HN 0.356 nan 8.270 nan 0.000 0.574 132 A N 1.489 124.311 122.820 0.004 0.000 2.475 132 A HA -0.219 4.102 4.320 0.001 0.000 0.295 132 A C -0.812 176.762 177.584 -0.017 0.000 1.457 132 A CA 1.391 53.418 52.037 -0.017 0.000 0.734 132 A CB -1.595 17.399 19.000 -0.010 0.000 1.118 132 A HN 0.532 nan 8.150 nan 0.000 0.400 133 N N 0.306 118.992 118.700 -0.022 0.000 2.425 133 N HA 0.522 5.262 4.740 0.001 0.000 0.289 133 N C -0.208 175.291 175.510 -0.018 0.000 1.074 133 N CA 0.431 53.473 53.050 -0.013 0.000 0.905 133 N CB 1.835 40.324 38.487 0.003 0.000 1.586 133 N HN 0.895 nan 8.380 nan 0.000 0.490 134 G N 1.977 110.769 108.800 -0.013 0.000 2.348 134 G HA2 0.492 4.452 3.960 0.001 0.000 0.312 134 G HA3 0.492 4.452 3.960 0.001 0.000 0.312 134 G C -0.911 173.999 174.900 0.016 0.000 1.126 134 G CA -0.318 44.779 45.100 -0.005 0.000 0.865 134 G HN 0.603 nan 8.290 nan 0.000 0.474 135 K N 1.245 121.664 120.400 0.031 0.000 2.543 135 K HA 0.446 4.767 4.320 0.001 0.000 0.255 135 K C -1.081 175.563 176.600 0.073 0.000 0.934 135 K CA -0.794 55.522 56.287 0.047 0.000 0.810 135 K CB 1.690 34.214 32.500 0.040 0.000 1.315 135 K HN 0.445 nan 8.250 nan 0.000 0.433 136 L N 0.260 121.528 121.223 0.075 0.000 2.334 136 L HA 0.822 5.163 4.340 0.001 0.000 0.275 136 L C -0.539 176.381 176.870 0.083 0.000 1.036 136 L CA -0.455 54.439 54.840 0.089 0.000 0.807 136 L CB 1.490 43.581 42.059 0.054 0.000 1.231 136 L HN 0.608 nan 8.230 nan 0.000 0.438 137 E N 0.195 120.461 120.200 0.110 0.000 2.375 137 E HA 0.791 5.142 4.350 0.001 0.000 0.280 137 E C -1.241 175.409 176.600 0.084 0.000 0.972 137 E CA 0.044 56.502 56.400 0.096 0.000 0.782 137 E CB 2.106 31.876 29.700 0.116 0.000 1.229 137 E HN 0.988 nan 8.360 nan 0.000 0.439 138 S N 2.076 117.805 115.700 0.048 0.000 3.070 138 S HA 0.890 5.361 4.470 0.001 0.000 0.320 138 S C -0.975 173.647 174.600 0.037 0.000 1.215 138 S CA -0.541 57.672 58.200 0.023 0.000 0.956 138 S CB 0.993 64.167 63.200 -0.043 0.000 1.337 138 S HN 0.741 nan 8.310 nan 0.000 0.639 139 R N 0.002 120.516 120.500 0.024 0.000 1.005 139 R HA 0.092 4.432 4.340 0.001 0.000 0.429 139 R C -1.152 175.176 176.300 0.046 0.000 1.360 139 R CA 0.692 56.808 56.100 0.026 0.000 1.140 139 R CB -1.455 28.854 30.300 0.015 0.000 3.349 139 R HN 1.969 nan 8.270 nan 0.000 0.512 140 L N 1.928 123.176 121.223 0.041 0.000 0.602 140 L HA -0.105 4.236 4.340 0.001 0.000 0.358 140 L C -1.107 175.800 176.870 0.062 0.000 1.004 140 L CA 0.787 55.652 54.840 0.041 0.000 1.221 140 L CB -0.393 41.685 42.059 0.031 0.000 0.206 140 L HN 0.788 nan 8.230 nan 0.000 0.151 141 V N 4.747 124.689 119.914 0.046 0.000 2.470 141 V HA 0.341 4.462 4.120 0.001 0.000 0.276 141 V C 0.748 176.852 176.094 0.017 0.000 1.040 141 V CA 1.427 63.762 62.300 0.057 0.000 1.008 141 V CB 1.134 32.981 31.823 0.040 0.000 0.990 141 V HN 0.862 nan 8.190 nan 0.000 0.477 142 D N 4.631 125.046 120.400 0.024 0.000 2.449 142 D HA 0.272 4.913 4.640 0.001 0.000 0.255 142 D C -0.534 175.491 176.300 -0.458 0.000 1.121 142 D CA 0.143 53.993 54.000 -0.250 0.000 0.830 142 D CB 0.412 40.959 40.800 -0.420 0.000 1.280 142 D HN 0.523 nan 8.370 nan 0.000 0.522 143 F N 0.468 120.414 119.950 -0.007 0.000 2.598 143 F HA 0.704 5.231 4.527 0.001 0.000 0.327 143 F C 0.149 175.930 175.800 -0.032 0.000 1.057 143 F CA -0.918 57.071 58.000 -0.018 0.000 0.957 143 F CB 1.679 40.671 39.000 -0.014 0.000 1.278 143 F HN -0.461 nan 8.300 nan 0.000 0.484 144 R N 0.378 120.964 120.500 0.143 0.000 2.687 144 R HA 0.354 4.695 4.340 0.001 0.000 0.265 144 R C -1.892 174.400 176.300 -0.013 0.000 1.048 144 R CA -1.080 55.044 56.100 0.040 0.000 0.884 144 R CB 2.261 32.547 30.300 -0.024 0.000 1.258 144 R HN 0.620 nan 8.270 nan 0.000 0.469 145 K N 1.514 121.893 120.400 -0.036 0.000 2.464 145 K HA 0.467 4.788 4.320 0.001 0.000 0.252 145 K C -0.770 175.841 176.600 0.018 0.000 1.000 145 K CA -0.357 55.878 56.287 -0.088 0.000 0.951 145 K CB 1.969 34.326 32.500 -0.237 0.000 1.183 145 K HN 0.575 nan 8.250 nan 0.000 0.445 146 A N 3.451 126.273 122.820 0.003 0.000 2.322 146 A HA 0.538 4.858 4.320 0.001 0.000 0.269 146 A C -0.415 177.370 177.584 0.336 0.000 1.094 146 A CA -0.464 51.588 52.037 0.025 0.000 0.807 146 A CB 0.397 19.349 19.000 -0.080 0.000 1.047 146 A HN 0.801 nan 8.150 nan 0.000 0.487 147 I N -0.234 120.489 120.570 0.255 0.000 2.957 147 I HA 0.665 4.836 4.170 0.001 0.000 0.310 147 I C 0.408 176.582 176.117 0.096 0.000 1.063 147 I CA -0.837 60.612 61.300 0.250 0.000 1.033 147 I CB 2.006 40.101 38.000 0.158 0.000 1.230 147 I HN 0.757 nan 8.210 nan 0.000 0.447 148 A N 3.555 126.393 122.820 0.031 0.000 2.302 148 A HA 0.577 4.898 4.320 0.001 0.000 0.285 148 A C 0.194 177.772 177.584 -0.011 0.000 1.105 148 A CA 0.091 52.136 52.037 0.014 0.000 0.816 148 A CB 0.981 19.988 19.000 0.011 0.000 1.067 148 A HN 0.756 nan 8.150 nan 0.000 0.489 149 V N -0.889 119.024 119.914 -0.002 0.000 3.629 149 V HA 0.186 4.307 4.120 0.001 0.000 0.194 149 V C 1.502 177.590 176.094 -0.011 0.000 1.343 149 V CA 0.140 62.435 62.300 -0.007 0.000 1.292 149 V CB -0.930 30.901 31.823 0.012 0.000 1.287 149 V HN 0.617 nan 8.190 nan 0.000 0.554 150 I N 1.531 122.100 120.570 -0.002 0.000 2.546 150 I HA 0.041 4.211 4.170 0.001 0.000 0.255 150 I C -0.774 175.342 176.117 -0.003 0.000 1.163 150 I CA 0.776 62.075 61.300 -0.002 0.000 1.457 150 I CB -2.085 35.917 38.000 0.004 0.000 1.092 150 I HN 0.360 nan 8.210 nan 0.000 0.434 151 P HA -0.086 nan 4.420 nan 0.000 0.316 151 P C 0.075 177.369 177.300 -0.011 0.000 1.508 151 P CA 0.377 63.475 63.100 -0.002 0.000 0.741 151 P CB -0.700 31.002 31.700 0.002 0.000 1.593 152 N N -2.286 116.405 118.700 -0.014 0.000 1.870 152 N HA -0.233 4.507 4.740 0.001 0.000 0.135 152 N C -0.536 174.956 175.510 -0.030 0.000 0.856 152 N CA 0.167 53.205 53.050 -0.019 0.000 0.877 152 N CB -1.268 37.210 38.487 -0.014 0.000 0.915 152 N HN 0.006 nan 8.380 nan 0.000 0.658 153 L N 1.441 122.646 121.223 -0.030 0.000 2.628 153 L HA 0.064 4.405 4.340 0.001 0.000 0.274 153 L C 0.387 177.229 176.870 -0.047 0.000 1.209 153 L CA 0.438 55.254 54.840 -0.040 0.000 0.930 153 L CB -0.271 41.769 42.059 -0.032 0.000 1.183 153 L HN 0.367 nan 8.230 nan 0.000 0.492 167 I N 1.212 121.823 120.570 0.069 0.000 2.750 167 I HA 0.524 4.694 4.170 0.001 0.000 0.308 167 I C -0.372 175.822 176.117 0.128 0.000 1.016 167 I CA -0.840 60.510 61.300 0.084 0.000 1.098 167 I CB 1.284 39.320 38.000 0.060 0.000 1.279 167 I HN 0.332 nan 8.210 nan 0.000 0.454 168 N N 3.193 121.993 118.700 0.167 0.000 2.454 168 N HA -0.094 4.647 4.740 0.001 0.000 0.280 168 N C -1.030 174.572 175.510 0.154 0.000 1.515 168 N CA 0.668 53.858 53.050 0.233 0.000 0.892 168 N CB -0.672 38.001 38.487 0.310 0.000 0.892 168 N HN 0.900 nan 8.380 nan 0.000 0.475 169 A N 2.085 124.988 122.820 0.137 0.000 2.679 169 A HA 0.578 4.899 4.320 0.001 0.000 0.288 169 A C 0.889 178.520 177.584 0.079 0.000 1.160 169 A CA 0.608 52.699 52.037 0.090 0.000 0.763 169 A CB 1.002 20.046 19.000 0.072 0.000 1.270 169 A HN 0.739 nan 8.150 nan 0.000 0.417 170 Q N 2.022 121.859 119.800 0.062 0.000 1.984 170 Q HA -0.327 4.013 4.340 0.001 0.000 0.269 170 Q C 0.431 176.457 176.000 0.043 0.000 2.610 170 Q CA 2.469 58.297 55.803 0.041 0.000 0.582 170 Q CB -1.068 27.689 28.738 0.033 0.000 1.004 170 Q HN 1.012 nan 8.270 nan 0.000 0.603 171 N N 1.779 120.513 118.700 0.056 0.000 2.950 171 N HA -0.003 4.738 4.740 0.001 0.000 0.313 171 N C -0.095 175.473 175.510 0.097 0.000 1.213 171 N CA 1.349 54.436 53.050 0.062 0.000 1.184 171 N CB 0.800 39.324 38.487 0.062 0.000 1.454 171 N HN 0.536 nan 8.380 nan 0.000 0.532 172 E N -0.658 119.588 120.200 0.078 0.000 2.090 172 E HA 0.122 4.473 4.350 0.001 0.000 0.208 172 E C 1.097 177.571 176.600 -0.211 0.000 1.032 172 E CA -0.114 56.369 56.400 0.138 0.000 1.430 172 E CB 0.030 29.972 29.700 0.404 0.000 3.680 172 E HN 0.197 nan 8.360 nan 0.000 1.007 173 L N 1.438 122.532 121.223 -0.215 0.000 2.375 173 L HA 0.167 4.508 4.340 0.001 0.000 0.215 173 L C -1.831 174.884 176.870 -0.258 0.000 1.108 173 L CA -0.147 54.469 54.840 -0.374 0.000 0.830 173 L CB -0.601 41.322 42.059 -0.227 0.000 0.959 173 L HN -0.095 nan 8.230 nan 0.000 0.457 174 P HA 0.066 nan 4.420 nan 0.000 0.266 174 P C -2.385 174.877 177.300 -0.064 0.000 1.215 174 P CA -0.617 62.439 63.100 -0.072 0.000 0.763 174 P CB 0.159 31.848 31.700 -0.018 0.000 0.806 175 P HA 0.268 nan 4.420 nan 0.000 0.276 175 P C -0.297 177.062 177.300 0.098 0.000 1.252 175 P CA -0.436 62.680 63.100 0.026 0.000 0.802 175 P CB 0.716 32.468 31.700 0.086 0.000 1.035 176 I N 2.694 123.301 120.570 0.062 0.000 2.331 176 I HA 0.247 4.418 4.170 0.001 0.000 0.292 176 I C 0.640 176.759 176.117 0.003 0.000 0.998 176 I CA -0.444 60.875 61.300 0.031 0.000 1.267 176 I CB 0.680 38.636 38.000 -0.073 0.000 1.386 176 I HN 0.349 nan 8.210 nan 0.000 0.476 177 I N 7.239 127.787 120.570 -0.037 0.000 2.962 177 I HA 0.390 4.561 4.170 0.001 0.000 0.246 177 I C 0.749 176.753 176.117 -0.189 0.000 1.091 177 I CA 0.280 61.411 61.300 -0.282 0.000 1.469 177 I CB 0.519 38.307 38.000 -0.354 0.000 1.324 177 I HN 0.642 nan 8.210 nan 0.000 0.461 178 A N 0.582 123.361 122.820 -0.069 0.000 2.313 178 A HA 0.634 4.954 4.320 0.001 0.000 0.323 178 A C -0.823 176.795 177.584 0.057 0.000 1.133 178 A CA -0.364 51.658 52.037 -0.025 0.000 0.847 178 A CB 1.438 20.427 19.000 -0.018 0.000 1.308 178 A HN 0.353 nan 8.150 nan 0.000 0.475 179 Q N 0.810 120.650 119.800 0.067 0.000 3.258 179 Q HA 0.587 4.928 4.340 0.001 0.000 0.214 179 Q C -2.088 173.957 176.000 0.075 0.000 0.873 179 Q CA 0.056 55.943 55.803 0.140 0.000 0.752 179 Q CB 0.749 29.601 28.738 0.190 0.000 1.396 179 Q HN 0.786 nan 8.270 nan 0.000 0.463 180 L N 0.743 121.989 121.223 0.039 0.000 3.028 180 L HA 0.764 5.105 4.340 0.001 0.000 0.244 180 L C -1.939 174.926 176.870 -0.007 0.000 0.986 180 L CA -0.461 54.383 54.840 0.007 0.000 1.031 180 L CB 1.713 43.778 42.059 0.010 0.000 1.502 180 L HN 0.555 nan 8.230 nan 0.000 0.414 181 A N 0.990 123.800 122.820 -0.018 0.000 2.612 181 A HA 0.884 5.205 4.320 0.001 0.000 0.293 181 A C -2.531 175.043 177.584 -0.016 0.000 1.075 181 A CA -0.602 51.424 52.037 -0.018 0.000 0.680 181 A CB 1.252 20.233 19.000 -0.033 0.000 1.279 181 A HN 0.562 nan 8.150 nan 0.000 0.411 182 P HA 0.310 nan 4.420 nan 0.000 0.238 182 P C 0.744 178.044 177.300 0.001 0.000 1.183 182 P CA 1.236 64.332 63.100 -0.007 0.000 0.813 182 P CB 0.817 32.512 31.700 -0.008 0.000 0.944 183 G N -0.300 108.501 108.800 0.000 0.000 2.731 183 G HA2 -0.087 3.873 3.960 0.001 0.000 0.219 183 G HA3 -0.087 3.873 3.960 0.001 0.000 0.219 183 G C -0.170 174.731 174.900 0.001 0.000 0.989 183 G CA -0.291 44.811 45.100 0.003 0.000 0.871 183 G HN 0.428 nan 8.290 nan 0.000 0.591 204 A N 3.630 126.460 122.820 0.017 0.000 1.872 204 A HA 0.414 4.734 4.320 0.001 0.000 0.214 204 A C 0.860 178.452 177.584 0.014 0.000 1.187 204 A CA 1.475 53.520 52.037 0.014 0.000 0.614 204 A CB -0.814 18.194 19.000 0.013 0.000 0.826 204 A HN 1.351 nan 8.150 nan 0.000 0.442 205 D N -1.982 118.428 120.400 0.017 0.000 10.050 205 D HA -0.120 4.521 4.640 0.001 0.000 0.307 205 D C -0.496 175.808 176.300 0.007 0.000 2.837 205 D CA 0.690 54.700 54.000 0.016 0.000 2.563 205 D CB -0.446 40.366 40.800 0.020 0.000 1.087 205 D HN 0.406 nan 8.370 nan 0.000 0.825 206 V N 5.527 125.444 119.914 0.006 0.000 2.521 206 V HA 0.059 4.180 4.120 0.001 0.000 0.286 206 V C 2.157 178.237 176.094 -0.022 0.000 1.034 206 V CA -0.041 62.257 62.300 -0.003 0.000 1.045 206 V CB 1.040 32.869 31.823 0.010 0.000 0.974 206 V HN 0.648 nan 8.190 nan 0.000 0.480 207 V N 4.588 124.484 119.914 -0.030 0.000 2.352 207 V HA -0.389 3.732 4.120 0.001 0.000 0.242 207 V C 1.637 177.696 176.094 -0.058 0.000 1.032 207 V CA 3.443 65.716 62.300 -0.045 0.000 1.108 207 V CB -1.075 30.712 31.823 -0.061 0.000 0.838 207 V HN 1.030 nan 8.190 nan 0.000 0.488 208 L N -6.280 114.885 121.223 -0.096 0.000 1.381 208 L HA 0.378 4.718 4.340 0.001 0.000 0.129 208 L C 0.370 177.122 176.870 -0.196 0.000 1.359 208 L CA 0.712 55.481 54.840 -0.118 0.000 1.203 208 L CB -0.426 41.575 42.059 -0.097 0.000 2.498 208 L HN 0.302 nan 8.230 nan 0.000 0.478 209 D N 0.485 120.691 120.400 -0.323 0.000 3.229 209 D HA -0.266 4.375 4.640 0.001 0.000 0.214 209 D C -0.932 174.971 176.300 -0.662 0.000 1.556 209 D CA 2.682 56.315 54.000 -0.612 0.000 1.086 209 D CB -0.879 39.735 40.800 -0.309 0.000 0.676 209 D HN 0.533 nan 8.370 nan 0.000 0.791 210 Y N -0.089 120.229 120.300 0.029 0.000 2.646 210 Y HA 0.581 5.132 4.550 0.001 0.000 0.334 210 Y C -0.058 175.847 175.900 0.009 0.000 1.004 210 Y CA -0.444 57.665 58.100 0.016 0.000 1.301 210 Y CB 1.476 39.956 38.460 0.034 0.000 1.093 210 Y HN 0.238 nan 8.280 nan 0.000 0.530 211 E N 2.245 122.464 120.200 0.032 0.000 3.844 211 E HA 0.328 4.678 4.350 0.001 0.000 0.260 211 E C -1.340 175.193 176.600 -0.112 0.000 1.163 211 E CA 0.024 56.386 56.400 -0.063 0.000 1.261 211 E CB -0.081 29.544 29.700 -0.124 0.000 1.261 211 E HN 0.616 nan 8.360 nan 0.000 0.399 212 L N 1.167 122.347 121.223 -0.073 0.000 2.922 212 L HA 0.277 4.617 4.340 0.001 0.000 0.244 212 L C 0.739 177.587 176.870 -0.037 0.000 1.324 212 L CA 0.248 55.017 54.840 -0.119 0.000 1.172 212 L CB -1.257 40.767 42.059 -0.057 0.000 1.545 212 L HN 0.399 nan 8.230 nan 0.000 0.438 213 S N -0.456 115.233 115.700 -0.018 0.000 4.050 213 S HA -0.370 4.101 4.470 0.001 0.000 0.602 213 S C 0.264 175.009 174.600 0.242 0.000 2.030 213 S CA 1.548 59.808 58.200 0.099 0.000 4.208 213 S CB -0.841 62.467 63.200 0.180 0.000 0.290 213 S HN 0.372 nan 8.310 nan 0.000 0.615 214 F N 1.078 121.079 119.950 0.085 0.000 2.520 214 F HA 0.526 5.054 4.527 0.002 0.000 0.371 214 F C -0.846 174.977 175.800 0.039 0.000 1.540 214 F CA -0.702 57.312 58.000 0.023 0.000 1.091 214 F CB 0.347 39.339 39.000 -0.013 0.000 1.488 214 F HN 0.465 nan 8.300 nan 0.000 0.538 215 Y N 1.368 121.607 120.300 -0.101 0.000 2.310 215 Y HA 0.451 5.002 4.550 0.001 0.000 0.326 215 Y C 0.268 176.045 175.900 -0.205 0.000 1.151 215 Y CA -0.043 57.988 58.100 -0.115 0.000 1.195 215 Y CB 0.849 39.266 38.460 -0.072 0.000 1.210 215 Y HN 0.311 nan 8.280 nan 0.000 0.483 216 D N 0.002 120.198 120.400 -0.341 0.000 2.650 216 D HA 0.610 5.251 4.640 0.001 0.000 0.255 216 D C -1.181 174.922 176.300 -0.329 0.000 1.135 216 D CA -0.594 53.220 54.000 -0.310 0.000 1.099 216 D CB 1.505 42.120 40.800 -0.308 0.000 1.273 216 D HN 0.332 nan 8.370 nan 0.000 0.628 217 T N 0.496 114.883 114.554 -0.278 0.000 2.971 217 T HA 0.504 4.854 4.350 0.001 0.000 0.304 217 T C -1.430 173.163 174.700 -0.178 0.000 1.038 217 T CA -0.886 61.042 62.100 -0.286 0.000 1.007 217 T CB 1.591 70.245 68.868 -0.356 0.000 1.055 217 T HN 0.351 nan 8.240 nan 0.000 0.451 218 Q N 1.579 121.297 119.800 -0.136 0.000 2.421 218 Q HA 0.561 4.902 4.340 0.001 0.000 0.280 218 Q C -1.020 174.961 176.000 -0.032 0.000 1.085 218 Q CA -0.717 55.040 55.803 -0.076 0.000 0.807 218 Q CB 2.232 30.923 28.738 -0.078 0.000 1.405 218 Q HN 0.540 nan 8.270 nan 0.000 0.419 219 S N 0.882 116.577 115.700 -0.007 0.000 2.531 219 S HA 0.459 4.929 4.470 0.001 0.000 0.279 219 S C 0.796 175.405 174.600 0.015 0.000 1.305 219 S CA 0.503 58.715 58.200 0.021 0.000 1.058 219 S CB 0.397 63.619 63.200 0.037 0.000 0.899 219 S HN 0.715 nan 8.310 nan 0.000 0.493 220 A N 5.599 128.436 122.820 0.028 0.000 1.835 220 A HA 0.436 4.757 4.320 0.001 0.000 0.213 220 A C 1.420 179.016 177.584 0.021 0.000 1.210 220 A CA 0.778 52.828 52.037 0.023 0.000 0.605 220 A CB -1.464 17.556 19.000 0.032 0.000 0.860 220 A HN 1.576 nan 8.150 nan 0.000 0.447 221 A N 0.499 123.337 122.820 0.030 0.000 2.538 221 A HA 0.236 4.557 4.320 0.001 0.000 0.280 221 A C 0.596 178.194 177.584 0.024 0.000 0.987 221 A CA 0.652 52.707 52.037 0.029 0.000 0.992 221 A CB -1.197 17.825 19.000 0.037 0.000 0.841 221 A HN 1.133 nan 8.150 nan 0.000 0.478 222 V N 4.777 124.706 119.914 0.024 0.000 3.032 222 V HA 0.079 4.199 4.120 0.001 0.000 0.307 222 V C 1.049 177.162 176.094 0.031 0.000 1.097 222 V CA 0.153 62.469 62.300 0.027 0.000 1.191 222 V CB 0.873 32.713 31.823 0.029 0.000 0.964 222 V HN 0.764 nan 8.190 nan 0.000 0.494 223 V N 5.813 125.751 119.914 0.041 0.000 2.720 223 V HA 0.371 4.492 4.120 0.001 0.000 0.307 223 V C 0.872 176.993 176.094 0.045 0.000 1.071 223 V CA 1.108 63.433 62.300 0.043 0.000 1.199 223 V CB 0.173 32.050 31.823 0.090 0.000 0.900 223 V HN 1.158 nan 8.190 nan 0.000 0.494 224 G N 3.876 112.698 108.800 0.037 0.000 2.667 224 G HA2 0.618 4.579 3.960 0.001 0.000 0.298 224 G HA3 0.618 4.579 3.960 0.001 0.000 0.298 224 G C -1.162 173.759 174.900 0.035 0.000 1.377 224 G CA -1.060 44.061 45.100 0.035 0.000 0.964 224 G HN 0.631 nan 8.290 nan 0.000 0.493 225 L N 1.920 123.163 121.223 0.035 0.000 2.453 225 L HA 0.248 4.589 4.340 0.001 0.000 0.272 225 L C 0.253 177.141 176.870 0.031 0.000 1.182 225 L CA -0.508 54.353 54.840 0.036 0.000 0.858 225 L CB 0.456 42.536 42.059 0.035 0.000 1.120 225 L HN 0.445 nan 8.230 nan 0.000 0.474 226 N N 1.374 120.095 118.700 0.034 0.000 2.906 226 N HA 0.475 5.216 4.740 0.001 0.000 0.327 226 N C -0.949 174.573 175.510 0.019 0.000 1.344 226 N CA -0.749 52.316 53.050 0.024 0.000 0.823 226 N CB 0.713 39.217 38.487 0.028 0.000 1.351 226 N HN 0.523 nan 8.380 nan 0.000 0.604 227 D N -0.296 120.102 120.400 -0.002 0.000 10.852 227 D HA -0.162 4.478 4.640 0.001 0.000 0.361 227 D C 0.519 176.754 176.300 -0.107 0.000 3.101 227 D CA 0.600 54.579 54.000 -0.035 0.000 2.575 227 D CB 0.093 40.903 40.800 0.017 0.000 1.168 227 D HN 0.711 nan 8.370 nan 0.000 0.953 228 E N -1.000 119.042 120.200 -0.263 0.000 2.072 228 E HA -0.103 4.248 4.350 0.001 0.000 0.191 228 E C 1.089 177.406 176.600 -0.471 0.000 0.985 228 E CA 1.299 57.416 56.400 -0.471 0.000 0.801 228 E CB 0.140 29.367 29.700 -0.789 0.000 0.750 228 E HN 0.401 nan 8.360 nan 0.000 0.452 229 F N -0.372 119.597 119.950 0.031 0.000 2.480 229 F HA 0.207 4.735 4.527 0.001 0.000 0.212 229 F C 0.972 176.792 175.800 0.033 0.000 1.113 229 F CA -0.764 57.256 58.000 0.032 0.000 0.970 229 F CB 0.061 39.085 39.000 0.039 0.000 1.177 229 F HN -0.095 nan 8.300 nan 0.000 0.663 230 I N -1.377 119.371 120.570 0.297 0.000 2.860 230 I HA 0.507 4.678 4.170 0.001 0.000 0.331 230 I C -0.158 176.060 176.117 0.168 0.000 1.447 230 I CA -0.498 60.900 61.300 0.162 0.000 0.847 230 I CB 0.472 38.534 38.000 0.104 0.000 1.938 230 I HN 0.208 nan 8.210 nan 0.000 0.564 231 A N 1.316 124.249 122.820 0.189 0.000 2.988 231 A HA 0.864 5.185 4.320 0.001 0.000 0.288 231 A C 0.829 178.489 177.584 0.127 0.000 1.385 231 A CA 0.200 52.347 52.037 0.183 0.000 1.001 231 A CB -0.895 18.236 19.000 0.218 0.000 1.071 231 A HN 1.055 nan 8.150 nan 0.000 0.608 232 G N -2.035 106.829 108.800 0.107 0.000 2.317 232 G HA2 0.589 4.550 3.960 0.001 0.000 0.445 232 G HA3 0.589 4.550 3.960 0.001 0.000 0.445 232 G C -0.555 174.385 174.900 0.067 0.000 1.486 232 G CA -0.146 45.005 45.100 0.086 0.000 0.991 232 G HN 1.695 nan 8.290 nan 0.000 0.660 233 A N 0.071 122.928 122.820 0.063 0.000 5.650 233 A HA 1.035 5.355 4.320 0.001 0.000 0.194 233 A C -0.133 177.480 177.584 0.048 0.000 0.895 233 A CA 0.749 52.817 52.037 0.052 0.000 0.804 233 A CB 0.202 19.232 19.000 0.050 0.000 2.103 233 A HN 2.313 nan 8.150 nan 0.000 1.022 234 R N -1.821 118.702 120.500 0.039 0.000 0.959 234 R HA -0.104 4.237 4.340 0.001 0.000 0.432 234 R C -0.414 175.874 176.300 -0.021 0.000 1.366 234 R CA 0.853 56.958 56.100 0.009 0.000 1.194 234 R CB -1.539 28.777 30.300 0.027 0.000 3.435 234 R HN 1.318 nan 8.270 nan 0.000 0.516 235 L N 0.305 121.468 121.223 -0.100 0.000 3.260 235 L HA 0.205 4.545 4.340 0.001 0.000 0.171 235 L C 1.716 178.521 176.870 -0.109 0.000 1.315 235 L CA 0.386 55.177 54.840 -0.083 0.000 0.886 235 L CB -0.177 41.836 42.059 -0.077 0.000 1.431 235 L HN 0.687 nan 8.230 nan 0.000 0.583 236 D N 0.411 120.679 120.400 -0.219 0.000 2.129 236 D HA -0.169 4.472 4.640 0.001 0.000 0.220 236 D C 0.366 176.586 176.300 -0.133 0.000 0.988 236 D CA 1.313 55.219 54.000 -0.156 0.000 0.904 236 D CB -0.148 40.564 40.800 -0.147 0.000 1.018 236 D HN 0.606 nan 8.370 nan 0.000 0.444 237 N N -0.102 118.467 118.700 -0.218 0.000 2.677 237 N HA -0.236 4.505 4.740 0.001 0.000 0.249 237 N C -0.591 174.975 175.510 0.093 0.000 1.073 237 N CA 0.333 53.411 53.050 0.047 0.000 0.737 237 N CB -2.144 36.379 38.487 0.060 0.000 0.999 237 N HN 0.244 nan 8.380 nan 0.000 0.543 238 L N 0.139 121.389 121.223 0.045 0.000 2.395 238 L HA 0.254 4.594 4.340 0.001 0.000 0.268 238 L C 0.724 177.545 176.870 -0.082 0.000 1.223 238 L CA -0.578 54.274 54.840 0.020 0.000 1.093 238 L CB -0.083 42.001 42.059 0.042 0.000 1.349 238 L HN 0.312 nan 8.230 nan 0.000 0.427 239 L N 0.279 121.403 121.223 -0.165 0.000 4.988 239 L HA -0.303 4.038 4.340 0.001 0.000 0.439 239 L C 1.082 177.907 176.870 -0.074 0.000 1.080 239 L CA 1.177 55.826 54.840 -0.318 0.000 1.018 239 L CB -1.431 40.146 42.059 -0.804 0.000 1.945 239 L HN 0.661 nan 8.230 nan 0.000 0.782 240 S N -1.501 114.239 115.700 0.066 0.000 2.585 240 S HA 0.378 4.849 4.470 0.001 0.000 0.273 240 S C 1.557 176.381 174.600 0.374 0.000 1.339 240 S CA 0.135 58.477 58.200 0.238 0.000 1.028 240 S CB 1.028 64.391 63.200 0.272 0.000 0.906 240 S HN 1.402 nan 8.310 nan 0.000 0.528 241 C N 3.219 122.738 119.300 0.366 0.000 5.883 241 C HA -0.253 4.208 4.460 0.001 0.000 0.327 241 C C 1.436 176.403 174.990 -0.039 0.000 2.424 241 C CA 1.877 60.960 59.018 0.108 0.000 2.187 241 C CB -2.919 24.945 27.740 0.207 0.000 3.226 241 C HN 1.072 nan 8.230 nan 0.000 0.268 242 H N 1.939 121.007 119.070 -0.004 0.000 2.457 242 H HA 0.386 4.943 4.556 0.001 0.000 0.294 242 H C 2.100 177.387 175.328 -0.069 0.000 1.064 242 H CA 2.085 58.102 56.048 -0.052 0.000 1.330 242 H CB -0.133 29.584 29.762 -0.074 0.000 1.395 242 H HN 0.965 nan 8.280 nan 0.000 0.541 243 A N -0.192 122.668 122.820 0.067 0.000 2.797 243 A HA 0.483 4.804 4.320 0.001 0.000 0.287 243 A C 1.565 179.103 177.584 -0.076 0.000 1.369 243 A CA 0.576 52.627 52.037 0.022 0.000 0.968 243 A CB -0.467 18.573 19.000 0.066 0.000 1.069 243 A HN 0.511 nan 8.150 nan 0.000 0.571 244 G N -1.251 107.399 108.800 -0.249 0.000 2.647 244 G HA2 0.115 4.075 3.960 0.001 0.000 0.212 244 G HA3 0.115 4.075 3.960 0.001 0.000 0.212 244 G C 1.045 175.685 174.900 -0.433 0.000 1.540 244 G CA 0.230 44.947 45.100 -0.639 0.000 0.608 244 G HN 0.237 nan 8.290 nan 0.000 1.094 245 L N 0.956 121.998 121.223 -0.301 0.000 2.141 245 L HA 0.135 4.475 4.340 0.001 0.000 0.209 245 L C 2.519 179.319 176.870 -0.117 0.000 1.094 245 L CA 1.464 56.177 54.840 -0.212 0.000 0.763 245 L CB -0.075 41.857 42.059 -0.213 0.000 0.908 245 L HN 0.317 nan 8.230 nan 0.000 0.437 246 E N 0.345 120.495 120.200 -0.083 0.000 2.152 246 E HA -0.189 4.161 4.350 0.001 0.000 0.192 246 E C 2.202 178.832 176.600 0.049 0.000 0.983 246 E CA 0.934 57.349 56.400 0.024 0.000 0.818 246 E CB 0.096 29.819 29.700 0.039 0.000 0.758 246 E HN 0.467 nan 8.360 nan 0.000 0.467 247 A N 0.643 123.428 122.820 -0.059 0.000 1.968 247 A HA -0.034 4.287 4.320 0.001 0.000 0.217 247 A C 1.896 179.428 177.584 -0.087 0.000 1.169 247 A CA 0.542 52.531 52.037 -0.080 0.000 0.638 247 A CB -0.253 18.650 19.000 -0.161 0.000 0.812 247 A HN 0.257 nan 8.150 nan 0.000 0.446 248 L N -0.494 120.658 121.223 -0.119 0.000 2.660 248 L HA 0.074 4.415 4.340 0.001 0.000 0.238 248 L C 1.328 178.188 176.870 -0.016 0.000 1.161 248 L CA -0.137 54.645 54.840 -0.097 0.000 0.937 248 L CB 0.158 42.126 42.059 -0.152 0.000 1.122 248 L HN 0.254 nan 8.230 nan 0.000 0.435 249 L N -1.391 119.866 121.223 0.057 0.000 2.653 249 L HA 0.156 4.497 4.340 0.001 0.000 0.230 249 L C 1.844 178.827 176.870 0.187 0.000 1.055 249 L CA 0.755 55.708 54.840 0.187 0.000 0.880 249 L CB -0.400 41.843 42.059 0.307 0.000 1.195 249 L HN 0.093 nan 8.230 nan 0.000 0.492 250 N N 0.279 119.015 118.700 0.061 0.000 2.512 250 N HA -0.004 4.737 4.740 0.001 0.000 0.183 250 N C 1.274 176.705 175.510 -0.131 0.000 1.073 250 N CA 1.032 53.967 53.050 -0.191 0.000 0.911 250 N CB 0.340 38.737 38.487 -0.148 0.000 0.964 250 N HN 0.298 nan 8.380 nan 0.000 0.447 251 A N -1.077 121.709 122.820 -0.057 0.000 2.431 251 A HA 0.273 4.594 4.320 0.001 0.000 0.239 251 A C 1.418 178.990 177.584 -0.022 0.000 1.230 251 A CA -0.094 51.915 52.037 -0.046 0.000 0.928 251 A CB 0.379 19.355 19.000 -0.040 0.000 1.006 251 A HN 0.100 nan 8.150 nan 0.000 0.520 252 E N -0.112 120.089 120.200 0.002 0.000 2.421 252 E HA 0.114 4.464 4.350 0.001 0.000 0.209 252 E C 1.096 177.722 176.600 0.043 0.000 0.871 252 E CA 0.439 56.853 56.400 0.024 0.000 1.064 252 E CB 0.283 30.004 29.700 0.036 0.000 1.075 252 E HN 0.437 nan 8.360 nan 0.000 0.513 253 G N 1.945 110.785 108.800 0.067 0.000 2.491 253 G HA2 0.039 4.000 3.960 0.001 0.000 0.242 253 G HA3 0.039 4.000 3.960 0.001 0.000 0.242 253 G C -0.143 174.773 174.900 0.026 0.000 1.266 253 G CA -0.321 44.837 45.100 0.096 0.000 0.844 253 G HN -0.130 nan 8.290 nan 0.000 0.571 254 D N 1.072 121.493 120.400 0.034 0.000 2.417 254 D HA 0.120 4.761 4.640 0.001 0.000 0.250 254 D C 0.305 176.597 176.300 -0.013 0.000 1.166 254 D CA 0.482 54.486 54.000 0.007 0.000 0.881 254 D CB 1.142 41.949 40.800 0.011 0.000 1.164 254 D HN 0.282 nan 8.370 nan 0.000 0.467 255 E N 2.060 122.244 120.200 -0.027 0.000 2.220 255 E HA 0.072 4.423 4.350 0.001 0.000 0.272 255 E C 0.996 177.575 176.600 -0.034 0.000 1.099 255 E CA 0.019 56.394 56.400 -0.042 0.000 0.907 255 E CB 0.354 30.029 29.700 -0.043 0.000 1.022 255 E HN 0.418 nan 8.360 nan 0.000 0.428 256 N N 1.570 120.246 118.700 -0.040 0.000 2.228 256 N HA -0.028 4.713 4.740 0.001 0.000 0.299 256 N C -0.068 175.414 175.510 -0.046 0.000 0.829 256 N CA 0.367 53.395 53.050 -0.036 0.000 0.772 256 N CB -0.190 38.283 38.487 -0.025 0.000 2.041 256 N HN 0.451 nan 8.380 nan 0.000 1.019 257 C N 1.163 120.430 119.300 -0.055 0.000 2.668 257 C HA 0.850 5.310 4.460 0.001 0.000 0.355 257 C C 0.557 175.499 174.990 -0.080 0.000 1.277 257 C CA -1.494 57.481 59.018 -0.071 0.000 1.787 257 C CB 0.904 28.602 27.740 -0.071 0.000 2.233 257 C HN 0.363 nan 8.230 nan 0.000 0.495 258 I N 1.069 121.576 120.570 -0.105 0.000 2.471 258 I HA 0.578 4.749 4.170 0.001 0.000 0.286 258 I C -0.738 175.395 176.117 0.027 0.000 1.079 258 I CA -0.133 61.118 61.300 -0.082 0.000 1.398 258 I CB -0.581 37.266 38.000 -0.254 0.000 1.403 258 I HN 0.673 nan 8.210 nan 0.000 0.530 259 L N 6.574 127.835 121.223 0.064 0.000 2.408 259 L HA 0.692 5.033 4.340 0.001 0.000 0.268 259 L C -0.626 176.336 176.870 0.153 0.000 0.986 259 L CA -0.935 53.952 54.840 0.078 0.000 0.820 259 L CB 2.258 44.159 42.059 -0.263 0.000 1.303 259 L HN 0.334 nan 8.230 nan 0.000 0.411 260 V N 1.492 121.560 119.914 0.256 0.000 2.531 260 V HA 0.286 4.406 4.120 0.001 0.000 0.301 260 V C -0.646 175.586 176.094 0.229 0.000 1.034 260 V CA -0.576 61.852 62.300 0.214 0.000 0.865 260 V CB 2.056 33.976 31.823 0.161 0.000 0.995 260 V HN 0.932 nan 8.190 nan 0.000 0.424 261 C N 4.749 124.155 119.300 0.177 0.000 2.225 261 C HA 0.636 5.096 4.460 0.001 0.000 0.323 261 C C 0.651 175.720 174.990 0.131 0.000 1.164 261 C CA -0.191 58.928 59.018 0.167 0.000 1.565 261 C CB -0.253 27.568 27.740 0.135 0.000 2.124 261 C HN 0.970 nan 8.230 nan 0.000 0.461 262 T N 5.468 120.099 114.554 0.128 0.000 2.853 262 T HA 0.375 4.726 4.350 0.001 0.000 0.317 262 T C -0.452 174.241 174.700 -0.011 0.000 1.059 262 T CA -0.210 61.973 62.100 0.139 0.000 0.954 262 T CB -0.305 68.737 68.868 0.290 0.000 0.994 262 T HN 0.804 nan 8.240 nan 0.000 0.479 263 D N 4.066 124.439 120.400 -0.044 0.000 2.181 263 D HA 0.528 5.169 4.640 0.001 0.000 0.248 263 D C 0.093 176.320 176.300 -0.123 0.000 1.020 263 D CA -0.012 53.878 54.000 -0.183 0.000 0.891 263 D CB 1.601 42.379 40.800 -0.037 0.000 1.187 263 D HN 0.861 nan 8.370 nan 0.000 0.443 264 H N -1.754 117.406 119.070 0.149 0.000 3.054 264 H HA 0.603 5.160 4.556 0.001 0.000 0.271 264 H C -1.053 174.367 175.328 0.153 0.000 1.551 264 H CA -0.984 55.138 56.048 0.123 0.000 1.196 264 H CB 1.367 31.187 29.762 0.097 0.000 1.867 264 H HN 0.267 nan 8.280 nan 0.000 0.637 265 E N -0.895 119.510 120.200 0.340 0.000 2.369 265 E HA 0.415 4.766 4.350 0.001 0.000 0.270 265 E C -0.760 175.942 176.600 0.171 0.000 0.909 265 E CA -0.567 55.985 56.400 0.254 0.000 0.775 265 E CB 1.461 31.281 29.700 0.200 0.000 1.270 265 E HN 0.786 nan 8.360 nan 0.000 0.445 266 E N -0.079 120.210 120.200 0.148 0.000 4.289 266 E HA -0.185 4.166 4.350 0.001 0.000 0.375 266 E C 0.799 177.353 176.600 -0.078 0.000 0.624 266 E CA 0.870 57.318 56.400 0.080 0.000 1.443 266 E CB -1.280 28.482 29.700 0.102 0.000 1.807 266 E HN 0.324 nan 8.360 nan 0.000 0.378 267 V N -0.106 119.701 119.914 -0.178 0.000 2.392 267 V HA -0.213 3.908 4.120 0.001 0.000 0.249 267 V C 2.158 178.038 176.094 -0.357 0.000 1.059 267 V CA 2.327 64.441 62.300 -0.311 0.000 1.051 267 V CB -0.487 31.073 31.823 -0.438 0.000 0.658 267 V HN 0.488 nan 8.190 nan 0.000 0.455 268 G N -1.795 106.738 108.800 -0.445 0.000 2.990 268 G HA2 0.014 3.975 3.960 0.001 0.000 0.206 268 G HA3 0.014 3.975 3.960 0.001 0.000 0.206 268 G C 1.332 176.027 174.900 -0.342 0.000 1.169 268 G CA 1.065 45.950 45.100 -0.358 0.000 0.819 268 G HN 0.489 nan 8.290 nan 0.000 0.517 269 S N -2.530 113.014 115.700 -0.260 0.000 3.792 269 S HA 0.080 4.550 4.470 0.001 0.000 0.229 269 S C 1.225 175.753 174.600 -0.121 0.000 1.118 269 S CA 1.042 59.119 58.200 -0.205 0.000 0.877 269 S CB 0.223 63.323 63.200 -0.167 0.000 1.077 269 S HN 0.316 nan 8.310 nan 0.000 0.546 270 C N -0.549 118.686 119.300 -0.107 0.000 4.921 270 C HA 0.523 4.983 4.460 0.001 0.000 0.477 270 C C 1.263 176.138 174.990 -0.192 0.000 1.492 270 C CA 0.985 59.911 59.018 -0.153 0.000 2.292 270 C CB -0.225 27.424 27.740 -0.152 0.000 3.214 270 C HN 0.713 nan 8.230 nan 0.000 0.562 271 S N -0.584 115.047 115.700 -0.116 0.000 1.352 271 S HA -0.248 4.223 4.470 0.001 0.000 0.248 271 S C 0.648 175.233 174.600 -0.025 0.000 0.649 271 S CA 1.638 59.776 58.200 -0.104 0.000 1.126 271 S CB -1.487 61.633 63.200 -0.133 0.000 1.240 271 S HN 0.862 nan 8.310 nan 0.000 0.498 272 H N -0.125 118.926 119.070 -0.031 0.000 1.452 272 H HA -0.354 4.203 4.556 0.001 0.000 0.090 272 H C 1.122 176.424 175.328 -0.043 0.000 0.966 272 H CA 1.804 57.839 56.048 -0.022 0.000 1.901 272 H CB -0.760 28.999 29.762 -0.005 0.000 2.257 272 H HN 0.751 nan 8.280 nan 0.000 0.961 273 C N 1.491 120.872 119.300 0.136 0.000 2.520 273 C HA 0.365 4.826 4.460 0.001 0.000 0.369 273 C C 1.540 176.516 174.990 -0.022 0.000 1.244 273 C CA 1.130 60.157 59.018 0.016 0.000 1.677 273 C CB -1.430 26.305 27.740 -0.009 0.000 2.324 273 C HN 0.814 nan 8.230 nan 0.000 0.557 274 G N 4.073 112.811 108.800 -0.103 0.000 2.697 274 G HA2 -0.121 3.840 3.960 0.001 0.000 0.200 274 G HA3 -0.121 3.840 3.960 0.001 0.000 0.200 274 G C 0.879 175.610 174.900 -0.282 0.000 1.106 274 G CA 0.138 45.155 45.100 -0.139 0.000 0.748 274 G HN 1.333 nan 8.290 nan 0.000 0.503 275 A N -0.348 122.306 122.820 -0.276 0.000 2.303 275 A HA 0.572 4.892 4.320 0.001 0.000 0.217 275 A C 0.635 178.152 177.584 -0.111 0.000 1.205 275 A CA 1.672 53.378 52.037 -0.552 0.000 0.875 275 A CB 0.256 18.892 19.000 -0.605 0.000 0.910 275 A HN 0.591 nan 8.150 nan 0.000 0.501 276 D N -0.669 119.718 120.400 -0.022 0.000 2.429 276 D HA 0.444 5.084 4.640 0.001 0.000 0.255 276 D C -0.022 176.351 176.300 0.122 0.000 1.257 276 D CA 0.853 54.947 54.000 0.156 0.000 0.890 276 D CB 0.024 40.847 40.800 0.038 0.000 1.267 276 D HN 0.780 nan 8.370 nan 0.000 0.521 277 G N 3.043 111.944 108.800 0.168 0.000 2.850 277 G HA2 -0.083 3.878 3.960 0.001 0.000 0.686 277 G HA3 -0.083 3.878 3.960 0.001 0.000 0.686 277 G C -2.835 172.036 174.900 -0.049 0.000 1.164 277 G CA -0.876 44.284 45.100 0.100 0.000 0.826 277 G HN 0.356 nan 8.290 nan 0.000 0.586 278 P HA 0.551 nan 4.420 nan 0.000 0.297 278 P C 0.367 177.630 177.300 -0.062 0.000 1.331 278 P CA -0.804 62.294 63.100 -0.003 0.000 0.803 278 P CB 0.642 32.334 31.700 -0.013 0.000 0.929 279 F N 1.255 121.230 119.950 0.042 0.000 2.558 279 F HA 0.039 4.566 4.527 0.001 0.000 0.298 279 F C 1.094 176.927 175.800 0.055 0.000 1.119 279 F CA 0.349 58.385 58.000 0.059 0.000 1.451 279 F CB -0.321 38.727 39.000 0.080 0.000 1.091 279 F HN 0.143 nan 8.300 nan 0.000 0.563 280 L N 0.412 121.745 121.223 0.183 0.000 2.483 280 L HA 0.008 4.349 4.340 0.001 0.000 0.275 280 L C 1.287 178.126 176.870 -0.053 0.000 1.220 280 L CA 0.409 55.245 54.840 -0.007 0.000 0.833 280 L CB -0.030 41.939 42.059 -0.151 0.000 1.102 280 L HN 0.242 nan 8.230 nan 0.000 0.490 281 E N -0.595 119.540 120.200 -0.109 0.000 4.976 281 E HA -0.392 3.959 4.350 0.001 0.000 0.222 281 E C 1.474 178.062 176.600 -0.019 0.000 0.944 281 E CA 1.858 58.217 56.400 -0.069 0.000 1.778 281 E CB -0.678 28.976 29.700 -0.078 0.000 1.790 281 E HN 0.844 nan 8.360 nan 0.000 0.404 282 Q N 0.176 119.976 119.800 0.001 0.000 2.172 282 Q HA -0.051 4.290 4.340 0.001 0.000 0.200 282 Q C 2.171 178.198 176.000 0.045 0.000 0.964 282 Q CA 1.817 57.632 55.803 0.020 0.000 0.855 282 Q CB 0.285 29.033 28.738 0.017 0.000 0.918 282 Q HN 0.267 nan 8.270 nan 0.000 0.444 283 V N -0.175 119.767 119.914 0.047 0.000 2.521 283 V HA -0.006 4.115 4.120 0.001 0.000 0.239 283 V C 0.736 176.840 176.094 0.016 0.000 1.053 283 V CA 0.442 62.726 62.300 -0.027 0.000 1.073 283 V CB 0.190 31.935 31.823 -0.131 0.000 0.746 283 V HN 0.255 nan 8.190 nan 0.000 0.476 284 L N 2.050 123.329 121.223 0.093 0.000 2.352 284 L HA 0.409 4.750 4.340 0.001 0.000 0.272 284 L C 0.845 177.758 176.870 0.072 0.000 1.109 284 L CA 0.679 55.623 54.840 0.174 0.000 0.952 284 L CB 0.124 42.352 42.059 0.282 0.000 1.314 284 L HN 0.209 nan 8.230 nan 0.000 0.427 285 R N 1.821 122.374 120.500 0.088 0.000 2.472 285 R HA 0.252 4.592 4.340 0.001 0.000 0.279 285 R C -0.364 175.963 176.300 0.045 0.000 0.953 285 R CA -0.217 55.904 56.100 0.035 0.000 1.088 285 R CB 0.526 30.834 30.300 0.013 0.000 1.197 285 R HN 0.383 nan 8.270 nan 0.000 0.536 286 R N 0.016 120.571 120.500 0.092 0.000 2.599 286 R HA 0.412 4.753 4.340 0.001 0.000 0.295 286 R C -0.770 175.579 176.300 0.082 0.000 0.963 286 R CA -0.736 55.414 56.100 0.084 0.000 0.883 286 R CB 1.325 31.694 30.300 0.115 0.000 1.171 286 R HN 0.010 nan 8.270 nan 0.000 0.450 287 L N 3.973 125.228 121.223 0.053 0.000 3.271 287 L HA -0.239 4.101 4.340 0.001 0.000 0.625 287 L C -0.768 176.132 176.870 0.049 0.000 1.016 287 L CA 0.159 55.027 54.840 0.046 0.000 1.256 287 L CB -0.578 41.509 42.059 0.048 0.000 1.457 287 L HN 0.671 nan 8.230 nan 0.000 0.754 288 L N 2.303 123.545 121.223 0.033 0.000 0.735 288 L HA -0.128 4.213 4.340 0.001 0.000 0.364 288 L C -1.111 175.772 176.870 0.022 0.000 1.004 288 L CA 0.418 55.275 54.840 0.028 0.000 1.222 288 L CB -0.154 41.928 42.059 0.037 0.000 0.325 288 L HN 0.454 nan 8.230 nan 0.000 0.197 289 P HA -0.094 nan 4.420 nan 0.000 0.200 289 P C 0.366 177.642 177.300 -0.039 0.000 1.007 289 P CA 1.389 64.476 63.100 -0.021 0.000 0.916 289 P CB 0.312 31.997 31.700 -0.024 0.000 0.696 290 E N -1.784 118.395 120.200 -0.036 0.000 3.254 290 E HA 0.231 4.581 4.350 0.001 0.000 0.184 290 E C 1.207 177.814 176.600 0.011 0.000 0.967 290 E CA 0.041 56.412 56.400 -0.050 0.000 1.311 290 E CB 0.427 30.058 29.700 -0.115 0.000 1.071 290 E HN 0.284 nan 8.360 nan 0.000 0.456 291 G N 0.725 109.543 108.800 0.029 0.000 2.508 291 G HA2 -0.079 3.882 3.960 0.001 0.000 0.212 291 G HA3 -0.079 3.882 3.960 0.001 0.000 0.212 291 G C 0.953 175.891 174.900 0.063 0.000 1.206 291 G CA 0.434 45.557 45.100 0.040 0.000 0.822 291 G HN 0.020 nan 8.290 nan 0.000 0.550 292 D N -0.175 120.267 120.400 0.070 0.000 2.527 292 D HA 0.332 4.973 4.640 0.001 0.000 0.224 292 D C 2.081 178.448 176.300 0.113 0.000 1.217 292 D CA 0.383 54.432 54.000 0.083 0.000 0.819 292 D CB 0.997 41.831 40.800 0.057 0.000 1.061 292 D HN 0.245 nan 8.370 nan 0.000 0.515 293 A N 0.490 123.392 122.820 0.136 0.000 1.873 293 A HA -0.027 4.294 4.320 0.001 0.000 0.215 293 A C 1.057 178.842 177.584 0.334 0.000 1.186 293 A CA 0.829 52.980 52.037 0.191 0.000 0.616 293 A CB -0.198 18.896 19.000 0.156 0.000 0.823 293 A HN 0.045 nan 8.150 nan 0.000 0.442 294 F N -0.724 119.266 119.950 0.068 0.000 2.181 294 F HA 0.416 4.944 4.527 0.001 0.000 0.285 294 F C 2.046 177.879 175.800 0.055 0.000 1.134 294 F CA -0.393 57.648 58.000 0.068 0.000 1.139 294 F CB 0.142 39.173 39.000 0.051 0.000 1.614 294 F HN 0.343 nan 8.300 nan 0.000 0.519 295 S N -0.068 115.698 115.700 0.110 0.000 4.024 295 S HA -0.399 4.072 4.470 0.001 0.000 0.420 295 S C 1.874 176.477 174.600 0.004 0.000 1.771 295 S CA 1.979 60.200 58.200 0.035 0.000 4.062 295 S CB -1.044 62.202 63.200 0.076 0.000 0.800 295 S HN 0.651 nan 8.310 nan 0.000 0.459 296 R N 1.494 122.017 120.500 0.039 0.000 2.105 296 R HA -0.002 4.339 4.340 0.001 0.000 0.239 296 R C 2.576 178.886 176.300 0.016 0.000 1.135 296 R CA 1.586 57.702 56.100 0.026 0.000 0.967 296 R CB -0.434 29.890 30.300 0.039 0.000 0.861 296 R HN 0.597 nan 8.270 nan 0.000 0.442 297 A N 1.366 124.208 122.820 0.036 0.000 1.903 297 A HA -0.049 4.272 4.320 0.001 0.000 0.213 297 A C 2.163 179.760 177.584 0.022 0.000 1.185 297 A CA 0.909 52.976 52.037 0.050 0.000 0.628 297 A CB -0.390 18.695 19.000 0.142 0.000 0.830 297 A HN 0.398 nan 8.150 nan 0.000 0.446 298 I N -3.523 116.991 120.570 -0.094 0.000 2.676 298 I HA -0.123 4.048 4.170 0.001 0.000 0.259 298 I C 1.810 177.858 176.117 -0.114 0.000 1.194 298 I CA 1.173 62.362 61.300 -0.186 0.000 1.473 298 I CB -0.343 37.344 38.000 -0.522 0.000 1.096 298 I HN 0.088 nan 8.210 nan 0.000 0.443 299 Q N 0.943 120.694 119.800 -0.082 0.000 2.389 299 Q HA 0.060 4.401 4.340 0.001 0.000 0.204 299 Q C 1.875 177.847 176.000 -0.046 0.000 0.944 299 Q CA 0.592 56.360 55.803 -0.059 0.000 0.908 299 Q CB -0.099 28.613 28.738 -0.043 0.000 1.002 299 Q HN 0.471 nan 8.270 nan 0.000 0.493 300 R N 0.238 120.719 120.500 -0.031 0.000 2.317 300 R HA 0.203 4.543 4.340 0.001 0.000 0.208 300 R C 0.054 176.346 176.300 -0.013 0.000 0.914 300 R CA 0.061 56.145 56.100 -0.026 0.000 1.060 300 R CB 0.463 30.752 30.300 -0.019 0.000 1.015 300 R HN 0.029 nan 8.270 nan 0.000 0.498 301 S N -0.108 115.594 115.700 0.003 0.000 2.730 301 S HA 0.530 5.001 4.470 0.001 0.000 0.284 301 S C -0.473 174.149 174.600 0.037 0.000 1.153 301 S CA -0.523 57.712 58.200 0.057 0.000 0.995 301 S CB 1.894 65.157 63.200 0.105 0.000 1.058 301 S HN 0.197 nan 8.310 nan 0.000 0.552 302 L N 2.066 123.359 121.223 0.117 0.000 2.596 302 L HA 0.477 4.817 4.340 0.001 0.000 0.265 302 L C -1.685 175.299 176.870 0.190 0.000 0.962 302 L CA -0.586 54.333 54.840 0.131 0.000 0.891 302 L CB 1.345 43.529 42.059 0.209 0.000 1.248 302 L HN 0.533 nan 8.230 nan 0.000 0.410 303 L N 5.783 127.028 121.223 0.037 0.000 2.334 303 L HA 0.733 5.074 4.340 0.001 0.000 0.277 303 L C -1.069 175.713 176.870 -0.147 0.000 1.075 303 L CA 0.017 54.847 54.840 -0.018 0.000 0.804 303 L CB 1.736 43.748 42.059 -0.078 0.000 1.174 303 L HN 0.324 nan 8.230 nan 0.000 0.438 304 V N 3.445 123.234 119.914 -0.210 0.000 2.656 304 V HA 0.609 4.730 4.120 0.001 0.000 0.307 304 V C -0.430 175.513 176.094 -0.252 0.000 1.051 304 V CA -0.554 61.512 62.300 -0.389 0.000 0.893 304 V CB 1.966 33.347 31.823 -0.738 0.000 0.999 304 V HN 0.916 nan 8.190 nan 0.000 0.426 305 S N 2.713 118.263 115.700 -0.249 0.000 2.451 305 S HA 0.800 5.271 4.470 0.001 0.000 0.301 305 S C -0.086 174.416 174.600 -0.163 0.000 1.116 305 S CA -0.481 57.621 58.200 -0.162 0.000 1.093 305 S CB 1.762 64.878 63.200 -0.139 0.000 1.017 305 S HN 1.183 nan 8.310 nan 0.000 0.482 306 A N 2.643 125.409 122.820 -0.090 0.000 2.736 306 A HA 0.545 4.866 4.320 0.001 0.000 0.335 306 A C -0.056 177.446 177.584 -0.138 0.000 1.446 306 A CA -0.564 51.476 52.037 0.005 0.000 1.028 306 A CB -0.221 18.877 19.000 0.163 0.000 1.154 306 A HN 0.847 nan 8.150 nan 0.000 0.507 307 D N 1.084 121.353 120.400 -0.218 0.000 2.481 307 D HA 0.389 5.030 4.640 0.001 0.000 0.283 307 D C -0.442 175.588 176.300 -0.449 0.000 1.192 307 D CA -0.190 53.609 54.000 -0.336 0.000 1.100 307 D CB 0.621 41.275 40.800 -0.244 0.000 1.166 307 D HN 0.375 nan 8.370 nan 0.000 0.584 308 N N -0.580 117.925 118.700 -0.324 0.000 2.549 308 N HA 0.592 5.333 4.740 0.001 0.000 0.281 308 N C -1.370 173.948 175.510 -0.321 0.000 1.084 308 N CA -0.481 52.409 53.050 -0.266 0.000 0.862 308 N CB 1.911 40.261 38.487 -0.229 0.000 1.333 308 N HN 0.417 nan 8.380 nan 0.000 0.523 309 A N 1.291 123.965 122.820 -0.242 0.000 2.304 309 A HA 0.320 4.641 4.320 0.001 0.000 0.271 309 A C 0.524 177.899 177.584 -0.349 0.000 1.091 309 A CA -0.137 51.727 52.037 -0.287 0.000 0.812 309 A CB 0.398 19.322 19.000 -0.127 0.000 1.056 309 A HN 0.737 nan 8.150 nan 0.000 0.489 310 H N 1.272 120.240 119.070 -0.170 0.000 2.284 310 H HA 0.289 4.846 4.556 0.002 0.000 0.314 310 H C 1.363 176.662 175.328 -0.047 0.000 1.058 310 H CA 1.214 57.047 56.048 -0.360 0.000 1.394 310 H CB -0.451 28.884 29.762 -0.712 0.000 1.431 310 H HN 1.323 nan 8.280 nan 0.000 0.537 311 G N 0.781 109.720 108.800 0.231 0.000 2.767 311 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 311 G HA3 -0.189 3.771 3.960 0.001 0.000 0.686 311 G C 0.019 175.281 174.900 0.602 0.000 1.213 311 G CA -0.121 45.117 45.100 0.230 0.000 0.803 311 G HN 0.546 nan 8.290 nan 0.000 0.603 312 V N 0.636 120.904 119.914 0.590 0.000 2.583 312 V HA 0.204 4.324 4.120 0.001 0.000 0.302 312 V C 1.117 177.516 176.094 0.508 0.000 1.033 312 V CA 0.093 62.779 62.300 0.644 0.000 1.194 312 V CB 0.658 32.741 31.823 0.433 0.000 0.879 312 V HN 1.011 nan 8.190 nan 0.000 0.482 313 H N 8.853 128.165 119.070 0.403 0.000 2.690 313 H HA 0.275 4.832 4.556 0.002 0.000 0.314 313 H C -1.538 173.853 175.328 0.106 0.000 1.069 313 H CA -1.823 54.334 56.048 0.181 0.000 1.436 313 H CB 2.165 31.893 29.762 -0.056 0.000 1.462 313 H HN 0.539 nan 8.280 nan 0.000 0.511 314 P HA -0.113 nan 4.420 nan 0.000 0.225 314 P C 0.524 177.885 177.300 0.101 0.000 1.148 314 P CA 1.068 64.230 63.100 0.103 0.000 0.779 314 P CB 0.719 32.434 31.700 0.025 0.000 0.780 315 N N -1.338 117.483 118.700 0.202 0.000 2.482 315 N HA -0.006 4.734 4.740 0.001 0.000 0.179 315 N C 0.137 175.414 175.510 -0.388 0.000 1.039 315 N CA 0.490 53.431 53.050 -0.181 0.000 0.884 315 N CB 0.013 38.250 38.487 -0.416 0.000 1.113 315 N HN 0.240 nan 8.380 nan 0.000 0.440 316 Y N 1.102 121.342 120.300 -0.099 0.000 2.849 316 Y HA 0.447 4.997 4.550 -0.000 0.000 0.356 316 Y C 1.169 177.071 175.900 0.003 0.000 1.236 316 Y CA -0.676 57.334 58.100 -0.150 0.000 1.508 316 Y CB 0.333 38.570 38.460 -0.372 0.000 1.619 316 Y HN 0.027 nan 8.280 nan 0.000 0.513 317 A N 0.388 123.281 122.820 0.122 0.000 2.066 317 A HA -0.130 4.191 4.320 0.001 0.000 0.218 317 A C 1.551 179.205 177.584 0.117 0.000 1.157 317 A CA 1.346 53.462 52.037 0.133 0.000 0.670 317 A CB -0.206 18.843 19.000 0.081 0.000 0.804 317 A HN 0.635 nan 8.150 nan 0.000 0.453 318 D N -1.439 119.014 120.400 0.088 0.000 2.538 318 D HA 0.051 4.692 4.640 0.001 0.000 0.234 318 D C 0.655 176.987 176.300 0.053 0.000 1.191 318 D CA -0.152 53.888 54.000 0.067 0.000 0.828 318 D CB -0.023 40.804 40.800 0.045 0.000 0.981 318 D HN 0.196 nan 8.370 nan 0.000 0.490 319 R N -0.316 120.209 120.500 0.042 0.000 2.476 319 R HA 0.230 4.571 4.340 0.001 0.000 0.276 319 R C -0.043 176.165 176.300 -0.153 0.000 0.941 319 R CA -0.092 55.967 56.100 -0.068 0.000 1.088 319 R CB 0.409 30.638 30.300 -0.118 0.000 1.216 319 R HN 0.391 nan 8.270 nan 0.000 0.533 320 H N -0.252 118.916 119.070 0.163 0.000 2.906 320 H HA 0.319 4.877 4.556 0.002 0.000 0.337 320 H C -0.864 174.548 175.328 0.139 0.000 1.257 320 H CA -1.002 55.156 56.048 0.184 0.000 1.192 320 H CB 2.003 31.904 29.762 0.232 0.000 1.912 320 H HN -0.035 nan 8.280 nan 0.000 0.573 321 D N 0.244 120.829 120.400 0.309 0.000 2.947 321 D HA 0.389 5.029 4.640 0.001 0.000 0.224 321 D C 0.529 176.859 176.300 0.049 0.000 1.230 321 D CA -0.041 54.039 54.000 0.134 0.000 0.871 321 D CB 1.854 42.713 40.800 0.098 0.000 1.671 321 D HN 0.841 nan 8.370 nan 0.000 0.507 322 A N 3.523 126.331 122.820 -0.020 0.000 4.404 322 A HA -0.396 3.925 4.320 0.001 0.000 0.367 322 A C 0.367 177.944 177.584 -0.012 0.000 1.591 322 A CA 2.227 54.229 52.037 -0.060 0.000 0.807 322 A CB -2.649 16.297 19.000 -0.092 0.000 1.524 322 A HN 1.007 nan 8.150 nan 0.000 0.540 323 N N 2.380 121.077 118.700 -0.006 0.000 2.431 323 N HA 0.475 5.215 4.740 0.001 0.000 0.265 323 N C -0.096 175.550 175.510 0.226 0.000 1.184 323 N CA 0.901 54.019 53.050 0.113 0.000 0.943 323 N CB 0.168 38.657 38.487 0.005 0.000 1.080 323 N HN 1.076 nan 8.380 nan 0.000 0.477 324 H N -0.572 118.494 119.070 -0.007 0.000 4.162 324 H HA 0.822 5.379 4.556 0.001 0.000 0.374 324 H C -0.223 175.063 175.328 -0.069 0.000 1.389 324 H CA -1.490 54.502 56.048 -0.093 0.000 1.108 324 H CB 0.779 30.525 29.762 -0.026 0.000 0.909 324 H HN 0.581 nan 8.280 nan 0.000 0.731 325 G N 1.432 110.029 108.800 -0.338 0.000 3.411 325 G HA2 0.154 4.114 3.960 0.001 0.000 0.241 325 G HA3 0.154 4.114 3.960 0.001 0.000 0.241 325 G C -3.357 171.462 174.900 -0.135 0.000 3.906 325 G CA -0.561 44.365 45.100 -0.290 0.000 0.435 325 G HN 0.440 nan 8.290 nan 0.000 0.284 326 P HA 0.437 nan 4.420 nan 0.000 0.272 326 P C 0.787 178.100 177.300 0.021 0.000 1.230 326 P CA 0.096 63.205 63.100 0.015 0.000 0.788 326 P CB 1.041 32.761 31.700 0.032 0.000 0.949 327 A N 1.830 124.692 122.820 0.069 0.000 2.429 327 A HA 0.234 4.554 4.320 0.001 0.000 0.242 327 A C 0.525 178.155 177.584 0.077 0.000 1.088 327 A CA 0.037 52.123 52.037 0.082 0.000 0.784 327 A CB -1.062 17.998 19.000 0.100 0.000 1.038 327 A HN 0.569 nan 8.150 nan 0.000 0.501 328 L N -0.413 120.880 121.223 0.117 0.000 3.754 328 L HA -0.167 4.174 4.340 0.001 0.000 0.410 328 L C -0.324 176.612 176.870 0.111 0.000 1.230 328 L CA 0.907 55.839 54.840 0.153 0.000 0.901 328 L CB -2.266 39.858 42.059 0.108 0.000 1.982 328 L HN 0.820 nan 8.230 nan 0.000 0.822 329 N N -1.002 117.761 118.700 0.105 0.000 2.525 329 N HA 0.716 5.457 4.740 0.001 0.000 0.270 329 N C 0.399 175.909 175.510 0.000 0.000 1.321 329 N CA 0.010 53.034 53.050 -0.044 0.000 0.797 329 N CB 1.495 39.923 38.487 -0.097 0.000 1.529 329 N HN 0.107 nan 8.380 nan 0.000 0.491 330 G N -0.924 107.745 108.800 -0.219 0.000 2.684 330 G HA2 0.348 4.309 3.960 0.001 0.000 0.255 330 G HA3 0.348 4.309 3.960 0.001 0.000 0.255 330 G C 0.360 175.264 174.900 0.007 0.000 1.219 330 G CA -0.305 44.745 45.100 -0.084 0.000 0.901 330 G HN 0.465 nan 8.290 nan 0.000 0.548 331 G N 0.402 109.241 108.800 0.065 0.000 2.298 331 G HA2 0.430 4.391 3.960 0.001 0.000 0.263 331 G HA3 0.430 4.391 3.960 0.001 0.000 0.263 331 G C -2.450 172.504 174.900 0.089 0.000 1.229 331 G CA -0.479 44.684 45.100 0.105 0.000 0.976 331 G HN 0.414 nan 8.290 nan 0.000 0.459 332 P HA 0.159 nan 4.420 nan 0.000 0.276 332 P C 0.043 177.384 177.300 0.068 0.000 1.235 332 P CA -0.491 62.633 63.100 0.039 0.000 0.772 332 P CB 1.379 33.080 31.700 0.003 0.000 0.871 333 V N 5.764 125.734 119.914 0.095 0.000 2.381 333 V HA 0.059 4.180 4.120 0.001 0.000 0.257 333 V C 0.726 176.876 176.094 0.093 0.000 1.057 333 V CA 0.050 62.413 62.300 0.105 0.000 1.013 333 V CB -0.925 30.979 31.823 0.136 0.000 1.069 333 V HN 0.388 nan 8.190 nan 0.000 0.484 334 I N 5.565 126.175 120.570 0.067 0.000 2.396 334 I HA 0.288 4.459 4.170 0.001 0.000 0.289 334 I C 0.434 176.613 176.117 0.104 0.000 1.056 334 I CA 0.142 61.490 61.300 0.081 0.000 1.365 334 I CB 0.265 38.324 38.000 0.098 0.000 1.407 334 I HN 0.475 nan 8.210 nan 0.000 0.509 335 K N 7.934 128.362 120.400 0.046 0.000 2.572 335 K HA 0.655 4.976 4.320 0.001 0.000 0.244 335 K C -1.073 175.447 176.600 -0.134 0.000 0.965 335 K CA -0.294 56.011 56.287 0.030 0.000 0.943 335 K CB 1.629 34.207 32.500 0.131 0.000 1.154 335 K HN 0.513 nan 8.250 nan 0.000 0.447 336 I N 2.308 122.715 120.570 -0.271 0.000 2.647 336 I HA 0.266 4.436 4.170 0.001 0.000 0.295 336 I C 0.454 176.402 176.117 -0.282 0.000 1.078 336 I CA -0.614 60.430 61.300 -0.428 0.000 1.048 336 I CB 1.948 39.394 38.000 -0.924 0.000 1.239 336 I HN 0.690 nan 8.210 nan 0.000 0.421 337 N N 2.182 120.775 118.700 -0.179 0.000 2.028 337 N HA -0.043 4.698 4.740 0.001 0.000 0.230 337 N C 0.996 176.455 175.510 -0.085 0.000 1.354 337 N CA 0.180 53.169 53.050 -0.103 0.000 0.855 337 N CB 0.394 38.855 38.487 -0.044 0.000 1.111 337 N HN 0.590 nan 8.380 nan 0.000 0.480 338 S N 2.112 117.756 115.700 -0.093 0.000 2.436 338 S HA -0.061 4.409 4.470 0.001 0.000 0.208 338 S C 1.207 175.771 174.600 -0.060 0.000 1.063 338 S CA 0.949 59.113 58.200 -0.060 0.000 1.120 338 S CB -0.486 62.686 63.200 -0.047 0.000 1.053 338 S HN 0.238 nan 8.310 nan 0.000 0.407 339 N N 0.270 118.926 118.700 -0.073 0.000 2.291 339 N HA 0.337 5.078 4.740 0.001 0.000 0.244 339 N C 0.621 176.095 175.510 -0.061 0.000 1.216 339 N CA 0.005 53.023 53.050 -0.053 0.000 0.879 339 N CB 0.767 39.232 38.487 -0.036 0.000 1.167 339 N HN 0.610 nan 8.380 nan 0.000 0.515 340 Q N -0.564 119.171 119.800 -0.108 0.000 2.527 340 Q HA 0.277 4.618 4.340 0.001 0.000 0.252 340 Q C -0.431 175.525 176.000 -0.074 0.000 0.827 340 Q CA -0.343 55.406 55.803 -0.090 0.000 0.979 340 Q CB 1.078 29.702 28.738 -0.190 0.000 1.248 340 Q HN -0.008 nan 8.270 nan 0.000 0.578 341 R N 1.590 121.981 120.500 -0.182 0.000 2.709 341 R HA -0.181 4.159 4.340 0.001 0.000 0.275 341 R C -1.492 174.834 176.300 0.042 0.000 0.947 341 R CA 0.499 56.536 56.100 -0.104 0.000 0.784 341 R CB -1.493 28.784 30.300 -0.038 0.000 2.000 341 R HN 0.368 nan 8.270 nan 0.000 0.517 342 Y N 0.674 120.943 120.300 -0.051 0.000 2.314 342 Y HA 0.354 4.905 4.550 0.001 0.000 0.359 342 Y C 1.787 177.658 175.900 -0.050 0.000 1.360 342 Y CA -0.671 57.395 58.100 -0.056 0.000 1.697 342 Y CB 0.241 38.660 38.460 -0.069 0.000 1.630 342 Y HN 0.568 nan 8.280 nan 0.000 0.583 343 A N -0.119 122.780 122.820 0.131 0.000 3.656 343 A HA 0.255 4.575 4.320 0.001 0.000 0.151 343 A C 0.188 177.797 177.584 0.042 0.000 1.657 343 A CA 0.374 52.436 52.037 0.043 0.000 1.148 343 A CB -1.128 17.867 19.000 -0.008 0.000 1.569 343 A HN 0.800 nan 8.150 nan 0.000 0.709 344 T N 0.837 115.399 114.554 0.013 0.000 1.190 344 T HA -0.114 4.237 4.350 0.001 0.000 0.698 344 T C -0.188 174.531 174.700 0.031 0.000 0.975 344 T CA 0.875 62.987 62.100 0.021 0.000 3.698 344 T CB -1.771 67.119 68.868 0.037 0.000 2.099 344 T HN 1.148 nan 8.240 nan 0.000 0.381 345 N N 0.826 119.543 118.700 0.028 0.000 2.909 345 N HA 0.664 5.405 4.740 0.001 0.000 0.326 345 N C 1.409 176.948 175.510 0.048 0.000 1.368 345 N CA -0.230 52.839 53.050 0.031 0.000 0.797 345 N CB 0.054 38.551 38.487 0.018 0.000 1.150 345 N HN 0.221 nan 8.380 nan 0.000 0.550 346 S N -0.328 115.398 115.700 0.044 0.000 2.335 346 S HA -0.158 4.312 4.470 0.001 0.000 0.217 346 S C 1.145 175.791 174.600 0.077 0.000 1.032 346 S CA 1.350 59.583 58.200 0.054 0.000 0.985 346 S CB -0.822 62.402 63.200 0.041 0.000 0.896 346 S HN 0.792 nan 8.310 nan 0.000 0.445 347 E N 0.935 121.178 120.200 0.071 0.000 2.416 347 E HA 0.115 4.466 4.350 0.001 0.000 0.189 347 E C 0.583 177.258 176.600 0.125 0.000 1.091 347 E CA 0.479 56.941 56.400 0.103 0.000 0.889 347 E CB -0.266 29.467 29.700 0.056 0.000 1.015 347 E HN 0.310 nan 8.360 nan 0.000 0.479 348 T N 0.191 114.812 114.554 0.113 0.000 3.071 348 T HA 0.187 4.538 4.350 0.001 0.000 0.239 348 T C 1.926 176.734 174.700 0.179 0.000 0.997 348 T CA 0.553 62.724 62.100 0.119 0.000 1.134 348 T CB 0.151 69.044 68.868 0.042 0.000 0.928 348 T HN 0.316 nan 8.240 nan 0.000 0.453 349 A N 1.448 124.355 122.820 0.145 0.000 1.902 349 A HA 0.173 4.494 4.320 0.001 0.000 0.217 349 A C 2.450 180.142 177.584 0.180 0.000 1.181 349 A CA 1.877 54.008 52.037 0.157 0.000 0.623 349 A CB -1.245 17.824 19.000 0.115 0.000 0.818 349 A HN 0.488 nan 8.150 nan 0.000 0.443 350 G N -2.306 106.598 108.800 0.174 0.000 2.448 350 G HA2 -0.098 3.863 3.960 0.001 0.000 0.218 350 G HA3 -0.098 3.863 3.960 0.001 0.000 0.218 350 G C 1.227 176.254 174.900 0.212 0.000 1.135 350 G CA 0.803 46.000 45.100 0.161 0.000 0.784 350 G HN 0.432 nan 8.290 nan 0.000 0.543 351 F N -0.843 119.192 119.950 0.143 0.000 2.789 351 F HA 0.445 4.972 4.527 0.001 0.000 0.300 351 F C 0.515 176.458 175.800 0.239 0.000 1.132 351 F CA -0.266 57.842 58.000 0.180 0.000 1.404 351 F CB 0.420 39.519 39.000 0.165 0.000 1.114 351 F HN 0.069 nan 8.300 nan 0.000 0.584 352 F N 0.351 120.387 119.950 0.143 0.000 2.688 352 F HA 0.339 4.867 4.527 0.001 0.000 0.376 352 F C 0.932 176.743 175.800 0.018 0.000 1.428 352 F CA -0.203 57.825 58.000 0.047 0.000 1.156 352 F CB -0.207 38.797 39.000 0.007 0.000 1.141 352 F HN -0.156 nan 8.300 nan 0.000 0.521 353 R N -1.305 119.176 120.500 -0.032 0.000 3.001 353 R HA 0.025 4.366 4.340 0.001 0.000 0.160 353 R C 1.676 177.941 176.300 -0.059 0.000 0.830 353 R CA 0.252 56.323 56.100 -0.048 0.000 1.363 353 R CB -0.288 30.035 30.300 0.039 0.000 1.669 353 R HN 0.463 nan 8.270 nan 0.000 0.553 354 H N 1.058 120.050 119.070 -0.130 0.000 2.436 354 H HA 0.002 4.559 4.556 0.001 0.000 0.294 354 H C 1.692 176.905 175.328 -0.193 0.000 1.048 354 H CA 1.063 57.021 56.048 -0.149 0.000 1.353 354 H CB 0.511 30.181 29.762 -0.152 0.000 1.414 354 H HN 0.170 nan 8.280 nan 0.000 0.536 355 L N 0.873 121.878 121.223 -0.363 0.000 2.201 355 L HA -0.138 4.203 4.340 0.001 0.000 0.212 355 L C 2.583 179.220 176.870 -0.389 0.000 1.105 355 L CA 1.184 55.782 54.840 -0.402 0.000 0.775 355 L CB -1.224 40.676 42.059 -0.264 0.000 0.913 355 L HN 0.444 nan 8.230 nan 0.000 0.440 356 C N -0.435 118.616 119.300 -0.415 0.000 2.505 356 C HA -0.108 4.353 4.460 0.001 0.000 0.279 356 C C 2.800 177.654 174.990 -0.227 0.000 1.316 356 C CA 0.738 59.544 59.018 -0.354 0.000 1.720 356 C CB -0.320 27.189 27.740 -0.386 0.000 2.050 356 C HN 0.620 nan 8.230 nan 0.000 0.493 357 Q N -0.011 119.673 119.800 -0.193 0.000 2.119 357 Q HA -0.203 4.138 4.340 0.001 0.000 0.201 357 Q C 1.924 177.844 176.000 -0.133 0.000 0.972 357 Q CA 1.748 57.477 55.803 -0.124 0.000 0.847 357 Q CB -0.374 28.333 28.738 -0.051 0.000 0.903 357 Q HN 0.677 nan 8.270 nan 0.000 0.433 358 D N -0.478 119.788 120.400 -0.224 0.000 2.144 358 D HA -0.078 4.563 4.640 0.001 0.000 0.199 358 D C 0.530 176.745 176.300 -0.142 0.000 0.984 358 D CA 0.911 54.784 54.000 -0.212 0.000 0.834 358 D CB 0.205 40.785 40.800 -0.366 0.000 0.955 358 D HN 0.106 nan 8.370 nan 0.000 0.465 359 S N 0.550 116.162 115.700 -0.146 0.000 2.552 359 S HA 0.138 4.609 4.470 0.001 0.000 0.246 359 S C -0.717 173.839 174.600 -0.073 0.000 1.019 359 S CA -0.257 57.886 58.200 -0.095 0.000 1.045 359 S CB 0.476 63.621 63.200 -0.091 0.000 0.784 359 S HN 0.226 nan 8.310 nan 0.000 0.453 360 E N 0.440 120.594 120.200 -0.077 0.000 7.548 360 E HA -0.134 4.217 4.350 0.001 0.000 0.443 360 E C 0.148 176.699 176.600 -0.082 0.000 0.387 360 E CA 0.097 56.461 56.400 -0.061 0.000 0.714 360 E CB -0.651 29.034 29.700 -0.026 0.000 0.961 360 E HN 0.303 nan 8.360 nan 0.000 0.264 361 V N 0.007 119.862 119.914 -0.100 0.000 3.923 361 V HA 0.473 4.593 4.120 0.001 0.000 0.264 361 V C -1.714 174.258 176.094 -0.203 0.000 0.897 361 V CA -0.477 61.740 62.300 -0.138 0.000 0.882 361 V CB -0.447 31.305 31.823 -0.117 0.000 1.206 361 V HN 0.626 nan 8.190 nan 0.000 0.396 362 P HA 0.482 nan 4.420 nan 0.000 0.297 362 P C -0.938 176.257 177.300 -0.174 0.000 1.319 362 P CA -0.213 62.771 63.100 -0.194 0.000 0.810 362 P CB 1.499 33.084 31.700 -0.191 0.000 0.947 363 V N 3.934 123.776 119.914 -0.120 0.000 2.427 363 V HA 0.282 4.403 4.120 0.001 0.000 0.286 363 V C -0.058 176.007 176.094 -0.049 0.000 1.034 363 V CA -0.070 62.182 62.300 -0.080 0.000 0.893 363 V CB 1.186 32.961 31.823 -0.080 0.000 0.982 363 V HN 0.545 nan 8.190 nan 0.000 0.452 364 Q N 3.418 123.200 119.800 -0.030 0.000 2.823 364 Q HA 0.812 5.153 4.340 0.001 0.000 0.230 364 Q C -0.857 175.159 176.000 0.027 0.000 1.026 364 Q CA -0.658 55.130 55.803 -0.025 0.000 0.940 364 Q CB 2.136 30.829 28.738 -0.074 0.000 1.382 364 Q HN 0.923 nan 8.270 nan 0.000 0.502 365 S N -0.799 114.929 115.700 0.048 0.000 2.547 365 S HA 0.683 5.153 4.470 0.001 0.000 0.270 365 S C -0.974 173.753 174.600 0.212 0.000 1.150 365 S CA -0.781 57.492 58.200 0.121 0.000 0.850 365 S CB 1.156 64.431 63.200 0.126 0.000 1.118 365 S HN 0.688 nan 8.310 nan 0.000 0.461 366 F N -0.419 119.537 119.950 0.009 0.000 2.183 366 F HA -0.145 4.383 4.527 0.001 0.000 0.318 366 F C 0.507 176.303 175.800 -0.005 0.000 1.277 366 F CA 0.846 58.854 58.000 0.013 0.000 0.914 366 F CB -0.431 38.578 39.000 0.016 0.000 4.133 366 F HN 0.828 nan 8.300 nan 0.000 0.140 367 V N 0.990 120.776 119.914 -0.214 0.000 3.487 367 V HA 0.175 4.295 4.120 0.001 0.000 0.263 367 V C 0.109 176.289 176.094 0.142 0.000 1.722 367 V CA 1.285 63.581 62.300 -0.006 0.000 1.066 367 V CB 0.876 32.722 31.823 0.038 0.000 0.905 367 V HN 1.001 nan 8.190 nan 0.000 0.387 368 T N 0.087 114.518 114.554 -0.205 0.000 2.804 368 T HA 0.654 5.005 4.350 0.001 0.000 0.272 368 T C -0.437 174.381 174.700 0.198 0.000 0.986 368 T CA -0.472 61.588 62.100 -0.067 0.000 0.999 368 T CB 1.652 70.359 68.868 -0.268 0.000 1.307 368 T HN 0.342 nan 8.240 nan 0.000 0.586 369 R N -0.201 120.387 120.500 0.147 0.000 2.837 369 R HA 0.496 4.837 4.340 0.001 0.000 0.271 369 R C 1.208 177.594 176.300 0.142 0.000 0.993 369 R CA -0.729 55.493 56.100 0.204 0.000 0.931 369 R CB 1.587 31.962 30.300 0.125 0.000 1.206 369 R HN 0.574 nan 8.270 nan 0.000 0.474 370 S N 0.465 116.250 115.700 0.141 0.000 2.368 370 S HA -0.180 4.291 4.470 0.001 0.000 0.225 370 S C 1.163 175.792 174.600 0.048 0.000 1.030 370 S CA 1.876 60.131 58.200 0.092 0.000 0.999 370 S CB -0.118 63.126 63.200 0.074 0.000 0.844 370 S HN 0.676 nan 8.310 nan 0.000 0.459 371 D N -0.074 120.351 120.400 0.041 0.000 2.162 371 D HA 0.121 4.762 4.640 0.001 0.000 0.205 371 D C 1.109 177.415 176.300 0.011 0.000 0.964 371 D CA 0.596 54.609 54.000 0.021 0.000 0.847 371 D CB 0.080 40.891 40.800 0.019 0.000 0.988 371 D HN 0.245 nan 8.370 nan 0.000 0.480 372 M N -0.654 118.955 119.600 0.015 0.000 2.066 372 M HA 0.407 4.888 4.480 0.001 0.000 0.203 372 M C -0.110 176.182 176.300 -0.013 0.000 1.145 372 M CA 0.602 55.900 55.300 -0.003 0.000 1.084 372 M CB 0.873 33.469 32.600 -0.008 0.000 1.177 372 M HN 0.194 nan 8.290 nan 0.000 0.588 373 G N 0.649 109.434 108.800 -0.025 0.000 3.190 373 G HA2 -0.056 3.905 3.960 0.001 0.000 0.686 373 G HA3 -0.056 3.905 3.960 0.001 0.000 0.686 373 G C -1.044 173.839 174.900 -0.028 0.000 1.033 373 G CA -0.528 44.553 45.100 -0.032 0.000 0.797 373 G HN 1.282 nan 8.290 nan 0.000 0.567 374 C N 2.415 121.708 119.300 -0.011 0.000 2.686 374 C HA 1.022 5.483 4.460 0.001 0.000 0.318 374 C C 1.766 176.772 174.990 0.026 0.000 1.160 374 C CA 0.455 59.470 59.018 -0.005 0.000 1.396 374 C CB 1.256 28.983 27.740 -0.021 0.000 1.924 374 C HN 3.015 nan 8.230 nan 0.000 0.471 375 G N 2.405 111.221 108.800 0.028 0.000 2.699 375 G HA2 -0.246 3.715 3.960 0.001 0.000 0.351 375 G HA3 -0.246 3.715 3.960 0.001 0.000 0.351 375 G C 0.820 175.793 174.900 0.121 0.000 1.191 375 G CA 1.981 47.110 45.100 0.048 0.000 0.953 375 G HN 2.852 nan 8.290 nan 0.000 0.557 376 S N -0.485 115.252 115.700 0.061 0.000 3.608 376 S HA -0.132 4.339 4.470 0.001 0.000 0.382 376 S C 0.740 175.301 174.600 -0.064 0.000 0.945 376 S CA 1.748 59.952 58.200 0.006 0.000 1.256 376 S CB -1.857 61.370 63.200 0.045 0.000 0.913 376 S HN 2.495 nan 8.310 nan 0.000 0.518 377 T N 1.645 116.170 114.554 -0.048 0.000 4.099 377 T HA 0.391 4.742 4.350 0.001 0.000 0.223 377 T C 0.898 175.527 174.700 -0.118 0.000 0.968 377 T CA -0.254 61.807 62.100 -0.064 0.000 0.966 377 T CB -0.690 68.152 68.868 -0.044 0.000 1.328 377 T HN 0.763 nan 8.240 nan 0.000 0.783 378 I N -0.165 120.286 120.570 -0.198 0.000 2.581 378 I HA 0.436 4.607 4.170 0.001 0.000 0.285 378 I C 1.126 177.198 176.117 -0.076 0.000 1.129 378 I CA 0.020 61.235 61.300 -0.142 0.000 1.397 378 I CB -0.967 36.919 38.000 -0.191 0.000 1.399 378 I HN 0.597 nan 8.210 nan 0.000 0.537 379 G N 9.063 117.876 108.800 0.022 0.000 2.678 379 G HA2 -0.303 3.657 3.960 0.001 0.000 0.362 379 G HA3 -0.303 3.657 3.960 0.001 0.000 0.362 379 G C -2.092 172.808 174.900 0.001 0.000 1.169 379 G CA 0.263 45.421 45.100 0.096 0.000 0.933 379 G HN 0.676 nan 8.290 nan 0.000 0.587 380 P HA 0.343 nan 4.420 nan 0.000 0.256 380 P C 0.372 177.618 177.300 -0.089 0.000 1.189 380 P CA 1.350 64.395 63.100 -0.092 0.000 0.808 380 P CB 0.531 32.171 31.700 -0.100 0.000 0.793 381 I N 2.233 122.754 120.570 -0.082 0.000 4.882 381 I HA -0.196 3.974 4.170 0.001 0.000 0.312 381 I C 0.986 177.078 176.117 -0.040 0.000 0.566 381 I CA 1.649 62.922 61.300 -0.045 0.000 1.552 381 I CB -0.922 37.070 38.000 -0.013 0.000 3.326 381 I HN 0.187 nan 8.210 nan 0.000 1.037 382 T N 0.521 115.046 114.554 -0.048 0.000 3.051 382 T HA 0.466 4.817 4.350 0.001 0.000 0.255 382 T C 1.483 176.161 174.700 -0.037 0.000 1.085 382 T CA 0.754 62.835 62.100 -0.032 0.000 1.109 382 T CB -0.003 68.846 68.868 -0.032 0.000 0.921 382 T HN 0.455 nan 8.240 nan 0.000 0.488 383 A N 1.299 124.049 122.820 -0.116 0.000 2.218 383 A HA 0.284 4.605 4.320 0.001 0.000 0.209 383 A C 2.198 179.614 177.584 -0.279 0.000 1.168 383 A CA 0.222 52.064 52.037 -0.325 0.000 0.804 383 A CB -0.448 18.171 19.000 -0.636 0.000 0.834 383 A HN 0.356 nan 8.150 nan 0.000 0.482 384 S N 0.014 115.623 115.700 -0.152 0.000 2.555 384 S HA -0.067 4.403 4.470 0.001 0.000 0.230 384 S C 1.653 176.210 174.600 -0.071 0.000 0.978 384 S CA 0.723 58.856 58.200 -0.112 0.000 0.934 384 S CB -0.110 63.045 63.200 -0.075 0.000 0.766 384 S HN 0.579 nan 8.310 nan 0.000 0.533 385 Q N 0.792 120.565 119.800 -0.045 0.000 2.437 385 Q HA 0.062 4.403 4.340 0.001 0.000 0.210 385 Q C 1.949 177.971 176.000 0.036 0.000 0.972 385 Q CA 0.477 56.284 55.803 0.007 0.000 0.903 385 Q CB -0.563 28.197 28.738 0.037 0.000 0.967 385 Q HN 0.373 nan 8.270 nan 0.000 0.486 386 V N -0.998 118.918 119.914 0.004 0.000 2.295 386 V HA -0.100 4.021 4.120 0.001 0.000 0.246 386 V C 1.368 177.439 176.094 -0.038 0.000 1.049 386 V CA 1.777 64.106 62.300 0.047 0.000 1.024 386 V CB -0.571 31.220 31.823 -0.053 0.000 0.648 386 V HN 0.525 nan 8.190 nan 0.000 0.447 387 G N -0.742 108.001 108.800 -0.095 0.000 2.245 387 G HA2 -0.060 3.901 3.960 0.001 0.000 0.116 387 G HA3 -0.060 3.901 3.960 0.001 0.000 0.116 387 G C -0.490 174.331 174.900 -0.132 0.000 1.054 387 G CA -0.191 44.849 45.100 -0.100 0.000 0.728 387 G HN 0.428 nan 8.290 nan 0.000 0.483 388 V N 0.244 120.082 119.914 -0.126 0.000 2.680 388 V HA 0.597 4.718 4.120 0.001 0.000 0.309 388 V C 0.723 176.765 176.094 -0.087 0.000 1.052 388 V CA -1.321 60.912 62.300 -0.112 0.000 0.908 388 V CB 1.816 33.565 31.823 -0.122 0.000 1.001 388 V HN 0.407 nan 8.190 nan 0.000 0.431 389 R N 1.609 122.065 120.500 -0.072 0.000 2.489 389 R HA 0.459 4.800 4.340 0.001 0.000 0.287 389 R C -0.413 175.844 176.300 -0.072 0.000 1.053 389 R CA 0.015 56.077 56.100 -0.065 0.000 1.036 389 R CB 0.382 30.643 30.300 -0.065 0.000 0.966 389 R HN 0.724 nan 8.270 nan 0.000 0.432 390 T N 2.259 116.767 114.554 -0.076 0.000 2.812 390 T HA 0.224 4.575 4.350 0.001 0.000 0.282 390 T C -0.255 174.373 174.700 -0.120 0.000 0.990 390 T CA -0.699 61.338 62.100 -0.104 0.000 0.960 390 T CB 1.770 70.576 68.868 -0.103 0.000 0.948 390 T HN 0.185 nan 8.240 nan 0.000 0.438 391 V N 3.724 123.515 119.914 -0.205 0.000 2.372 391 V HA 0.201 4.321 4.120 0.001 0.000 0.261 391 V C 0.426 176.349 176.094 -0.284 0.000 1.055 391 V CA -0.524 61.609 62.300 -0.278 0.000 0.930 391 V CB 0.685 32.180 31.823 -0.548 0.000 1.031 391 V HN 0.840 nan 8.190 nan 0.000 0.479 392 D N 5.548 125.847 120.400 -0.168 0.000 2.479 392 D HA 0.378 5.019 4.640 0.001 0.000 0.218 392 D C -0.153 176.069 176.300 -0.131 0.000 1.131 392 D CA -0.149 53.763 54.000 -0.148 0.000 0.916 392 D CB 0.787 41.538 40.800 -0.081 0.000 1.022 392 D HN 0.537 nan 8.370 nan 0.000 0.515 393 I N -0.097 120.363 120.570 -0.184 0.000 3.573 393 I HA 0.937 5.107 4.170 0.001 0.000 0.285 393 I C 0.739 176.806 176.117 -0.082 0.000 1.203 393 I CA -0.679 60.558 61.300 -0.105 0.000 1.033 393 I CB 1.670 39.617 38.000 -0.088 0.000 1.348 393 I HN 0.210 nan 8.210 nan 0.000 0.525 394 G N 0.026 108.820 108.800 -0.010 0.000 2.474 394 G HA2 0.553 4.514 3.960 0.001 0.000 0.234 394 G HA3 0.553 4.514 3.960 0.001 0.000 0.234 394 G C -1.997 172.975 174.900 0.121 0.000 1.204 394 G CA -0.830 44.284 45.100 0.023 0.000 0.939 394 G HN 0.629 nan 8.290 nan 0.000 0.491 395 L N 0.941 122.240 121.223 0.127 0.000 2.436 395 L HA 0.425 4.766 4.340 0.001 0.000 0.268 395 L C -2.622 174.279 176.870 0.052 0.000 0.974 395 L CA -1.871 53.047 54.840 0.129 0.000 0.826 395 L CB 3.032 45.218 42.059 0.213 0.000 1.291 395 L HN 0.202 nan 8.230 nan 0.000 0.406 396 P HA 0.040 nan 4.420 nan 0.000 0.256 396 P C -0.993 176.346 177.300 0.065 0.000 1.189 396 P CA 0.589 63.709 63.100 0.033 0.000 0.808 396 P CB 0.252 31.976 31.700 0.040 0.000 0.793 397 T N 3.910 118.489 114.554 0.042 0.000 3.395 397 T HA 0.376 4.727 4.350 0.001 0.000 0.330 397 T C -0.934 173.835 174.700 0.115 0.000 1.076 397 T CA -0.209 61.946 62.100 0.092 0.000 1.070 397 T CB 0.448 69.359 68.868 0.073 0.000 1.119 397 T HN -0.039 nan 8.240 nan 0.000 0.462 398 F N 1.954 122.004 119.950 0.167 0.000 2.544 398 F HA 0.712 5.240 4.527 0.001 0.000 0.378 398 F C 0.885 176.797 175.800 0.187 0.000 1.112 398 F CA -0.418 57.728 58.000 0.242 0.000 1.115 398 F CB 0.860 40.024 39.000 0.274 0.000 1.436 398 F HN 0.814 nan 8.300 nan 0.000 0.496 399 A N 1.794 125.017 122.820 0.673 0.000 2.610 399 A HA -0.245 4.076 4.320 0.001 0.000 0.299 399 A C 0.154 177.900 177.584 0.270 0.000 1.487 399 A CA 0.743 52.996 52.037 0.361 0.000 0.743 399 A CB -2.390 16.764 19.000 0.257 0.000 1.070 399 A HN 0.645 nan 8.150 nan 0.000 0.439 400 M N -0.340 119.428 119.600 0.280 0.000 1.878 400 M HA 0.421 4.901 4.480 0.001 0.000 0.236 400 M C 1.469 177.926 176.300 0.263 0.000 1.315 400 M CA 1.241 56.679 55.300 0.230 0.000 0.986 400 M CB -0.047 32.662 32.600 0.183 0.000 1.324 400 M HN 0.591 nan 8.290 nan 0.000 0.474 401 H N -1.355 117.750 119.070 0.058 0.000 2.731 401 H HA -0.172 4.385 4.556 0.001 0.000 0.305 401 H C -0.270 175.076 175.328 0.029 0.000 1.132 401 H CA 0.411 56.477 56.048 0.031 0.000 1.148 401 H CB -1.148 28.618 29.762 0.007 0.000 1.379 401 H HN 0.555 nan 8.280 nan 0.000 0.398 402 S N -0.710 115.071 115.700 0.136 0.000 3.132 402 S HA 0.642 5.113 4.470 0.001 0.000 0.322 402 S C 0.376 175.017 174.600 0.068 0.000 1.124 402 S CA -0.443 57.816 58.200 0.098 0.000 0.906 402 S CB 1.307 64.576 63.200 0.116 0.000 1.349 402 S HN 0.266 nan 8.310 nan 0.000 0.686 403 I N 0.847 121.456 120.570 0.067 0.000 3.424 403 I HA 0.577 4.748 4.170 0.001 0.000 0.339 403 I C 0.077 176.217 176.117 0.039 0.000 1.549 403 I CA -0.191 61.133 61.300 0.041 0.000 1.049 403 I CB 0.205 38.228 38.000 0.038 0.000 1.439 403 I HN 0.411 nan 8.210 nan 0.000 0.500 404 R N 1.177 121.707 120.500 0.049 0.000 3.221 404 R HA 0.255 4.595 4.340 0.001 0.000 0.274 404 R C -1.558 174.785 176.300 0.071 0.000 0.909 404 R CA -0.821 55.306 56.100 0.045 0.000 0.803 404 R CB 0.488 30.816 30.300 0.047 0.000 1.513 404 R HN 0.184 nan 8.270 nan 0.000 0.491 405 E N 0.912 121.153 120.200 0.068 0.000 7.527 405 E HA -0.115 4.236 4.350 0.001 0.000 0.389 405 E C -1.923 174.742 176.600 0.108 0.000 0.568 405 E CA 0.861 57.314 56.400 0.088 0.000 1.067 405 E CB -0.210 29.553 29.700 0.105 0.000 0.942 405 E HN 0.875 nan 8.360 nan 0.000 0.262 406 L N 1.154 122.435 121.223 0.097 0.000 2.277 406 L HA 0.170 4.511 4.340 0.001 0.000 0.461 406 L C -0.707 176.234 176.870 0.118 0.000 1.003 406 L CA 2.623 57.529 54.840 0.110 0.000 1.248 406 L CB -0.824 41.317 42.059 0.137 0.000 1.025 406 L HN 1.740 nan 8.230 nan 0.000 0.523 407 A N 3.918 126.800 122.820 0.104 0.000 1.985 407 A HA 0.623 4.944 4.320 0.001 0.000 0.278 407 A C 0.229 177.871 177.584 0.096 0.000 0.983 407 A CA -0.276 51.823 52.037 0.104 0.000 0.910 407 A CB -0.590 18.468 19.000 0.098 0.000 0.978 407 A HN 2.033 nan 8.150 nan 0.000 0.336 408 G N 0.834 109.697 108.800 0.105 0.000 2.474 408 G HA2 0.425 4.386 3.960 0.001 0.000 0.233 408 G HA3 0.425 4.386 3.960 0.001 0.000 0.233 408 G C 0.769 175.732 174.900 0.105 0.000 1.278 408 G CA 0.651 45.820 45.100 0.115 0.000 0.861 408 G HN 1.673 nan 8.290 nan 0.000 0.567 409 S N 0.465 116.229 115.700 0.107 0.000 2.519 409 S HA 0.244 4.715 4.470 0.001 0.000 0.245 409 S C 0.706 175.317 174.600 0.017 0.000 1.152 409 S CA -0.334 57.898 58.200 0.054 0.000 1.175 409 S CB -0.348 62.877 63.200 0.042 0.000 0.829 409 S HN 0.757 nan 8.310 nan 0.000 0.472 410 H N -0.844 118.225 119.070 -0.002 0.000 3.678 410 H HA 0.201 4.757 4.556 0.001 0.000 0.246 410 H C 0.900 176.121 175.328 -0.178 0.000 1.016 410 H CA 0.227 56.234 56.048 -0.069 0.000 1.104 410 H CB 0.395 30.188 29.762 0.052 0.000 1.449 410 H HN 0.385 nan 8.280 nan 0.000 0.606 411 D N 2.049 122.548 120.400 0.164 0.000 2.144 411 D HA -0.151 4.490 4.640 0.001 0.000 0.199 411 D C 2.066 178.392 176.300 0.044 0.000 0.984 411 D CA 1.307 55.433 54.000 0.211 0.000 0.834 411 D CB 0.017 40.913 40.800 0.159 0.000 0.955 411 D HN 0.339 nan 8.370 nan 0.000 0.465 412 L N -0.182 121.016 121.223 -0.041 0.000 2.131 412 L HA 0.052 4.393 4.340 0.001 0.000 0.210 412 L C 2.203 178.997 176.870 -0.127 0.000 1.092 412 L CA 1.739 56.524 54.840 -0.091 0.000 0.759 412 L CB -1.840 40.164 42.059 -0.092 0.000 0.903 412 L HN 0.008 nan 8.230 nan 0.000 0.435 413 A N -0.012 122.674 122.820 -0.223 0.000 2.119 413 A HA -0.133 4.188 4.320 0.001 0.000 0.217 413 A C 1.863 179.312 177.584 -0.225 0.000 1.153 413 A CA 1.102 52.988 52.037 -0.251 0.000 0.692 413 A CB -0.819 17.988 19.000 -0.322 0.000 0.799 413 A HN 0.662 nan 8.150 nan 0.000 0.458 414 H N -2.175 116.913 119.070 0.030 0.000 2.520 414 H HA 0.210 4.767 4.556 0.001 0.000 0.279 414 H C 1.732 177.058 175.328 -0.004 0.000 0.990 414 H CA 0.647 56.702 56.048 0.012 0.000 1.288 414 H CB 0.175 29.945 29.762 0.015 0.000 1.446 414 H HN 0.369 nan 8.280 nan 0.000 0.538 415 L N 1.403 122.672 121.223 0.077 0.000 2.240 415 L HA -0.066 4.274 4.340 0.001 0.000 0.211 415 L C 2.153 179.025 176.870 0.004 0.000 1.106 415 L CA 0.596 55.456 54.840 0.034 0.000 0.793 415 L CB -0.081 41.960 42.059 -0.030 0.000 0.927 415 L HN 0.280 nan 8.230 nan 0.000 0.446 416 V N -2.836 117.068 119.914 -0.016 0.000 2.379 416 V HA -0.134 3.987 4.120 0.001 0.000 0.245 416 V C 1.719 177.825 176.094 0.019 0.000 1.044 416 V CA 0.929 63.224 62.300 -0.010 0.000 1.036 416 V CB -0.907 30.899 31.823 -0.029 0.000 0.664 416 V HN 0.296 nan 8.190 nan 0.000 0.453 417 K N -0.571 119.842 120.400 0.021 0.000 2.140 417 K HA 0.376 4.697 4.320 0.001 0.000 0.237 417 K C 1.048 177.659 176.600 0.019 0.000 1.045 417 K CA 0.599 56.901 56.287 0.026 0.000 0.896 417 K CB 1.246 33.763 32.500 0.028 0.000 1.122 417 K HN 0.135 nan 8.250 nan 0.000 0.503 418 V N -0.878 119.029 119.914 -0.011 0.000 0.558 418 V HA -0.453 3.668 4.120 0.001 0.000 0.092 418 V C 1.706 177.823 176.094 0.039 0.000 2.022 418 V CA 2.314 64.574 62.300 -0.066 0.000 3.478 418 V CB -1.455 30.269 31.823 -0.165 0.000 0.770 418 V HN 0.777 nan 8.190 nan 0.000 0.801 419 L N 0.587 121.861 121.223 0.084 0.000 2.141 419 L HA 0.020 4.361 4.340 0.001 0.000 0.209 419 L C 2.465 179.306 176.870 -0.049 0.000 1.094 419 L CA 1.869 56.754 54.840 0.075 0.000 0.763 419 L CB -0.667 41.386 42.059 -0.011 0.000 0.908 419 L HN 0.655 nan 8.230 nan 0.000 0.437 420 G N -0.669 108.152 108.800 0.035 0.000 2.421 420 G HA2 -0.152 3.808 3.960 0.001 0.000 0.217 420 G HA3 -0.152 3.808 3.960 0.001 0.000 0.217 420 G C 1.699 176.682 174.900 0.139 0.000 1.143 420 G CA 0.677 45.860 45.100 0.138 0.000 0.784 420 G HN 0.444 nan 8.290 nan 0.000 0.541 421 A N 0.279 123.151 122.820 0.088 0.000 2.016 421 A HA 0.232 4.552 4.320 0.001 0.000 0.217 421 A C 2.009 179.657 177.584 0.107 0.000 1.162 421 A CA 1.073 53.150 52.037 0.066 0.000 0.662 421 A CB -0.401 18.603 19.000 0.007 0.000 0.812 421 A HN 0.413 nan 8.150 nan 0.000 0.450 422 F N -0.610 119.342 119.950 0.003 0.000 2.234 422 F HA -0.103 4.425 4.527 0.002 0.000 0.299 422 F C 1.426 177.289 175.800 0.104 0.000 1.087 422 F CA 0.926 58.959 58.000 0.055 0.000 1.340 422 F CB -0.310 38.739 39.000 0.081 0.000 1.031 422 F HN 0.279 nan 8.300 nan 0.000 0.500 423 Y N 1.143 121.386 120.300 -0.096 0.000 2.665 423 Y HA 0.342 4.892 4.550 0.001 0.000 0.320 423 Y C 0.798 176.603 175.900 -0.158 0.000 1.204 423 Y CA -0.224 57.764 58.100 -0.188 0.000 1.315 423 Y CB -1.333 37.116 38.460 -0.018 0.000 1.033 423 Y HN 0.160 nan 8.280 nan 0.000 0.509 424 A N -2.028 120.788 122.820 -0.007 0.000 2.594 424 A HA 0.733 5.053 4.320 0.001 0.000 0.291 424 A C 0.027 177.602 177.584 -0.014 0.000 1.105 424 A CA -0.297 51.735 52.037 -0.007 0.000 0.694 424 A CB 0.881 19.894 19.000 0.020 0.000 1.291 424 A HN 0.034 nan 8.150 nan 0.000 0.410 425 S N -1.053 114.646 115.700 -0.002 0.000 3.294 425 S HA 0.196 4.667 4.470 0.001 0.000 0.853 425 S C -0.004 174.632 174.600 0.060 0.000 1.111 425 S CA 0.478 58.691 58.200 0.022 0.000 1.104 425 S CB -1.239 61.972 63.200 0.018 0.000 0.765 425 S HN 2.551 nan 8.310 nan 0.000 0.265 426 S N 0.000 115.751 115.700 0.085 0.000 2.498 426 S HA 0.000 4.471 4.470 0.001 0.000 0.327 426 S CA 0.000 58.287 58.200 0.144 0.000 1.107 426 S CB 0.000 63.246 63.200 0.078 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517