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_D 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 0.000 176.802 176.870 -0.113 0.000 1.165 9 L CA 0.000 54.739 54.840 -0.169 0.000 0.813 9 L CB 0.000 nan 42.059 nan 0.000 0.961 10 I N 0.685 121.168 120.570 -0.146 0.000 2.468 10 I HA 0.641 4.811 4.170 0.001 0.000 0.285 10 I C -1.064 175.035 176.117 -0.030 0.000 1.039 10 I CA -0.418 60.850 61.300 -0.053 0.000 1.074 10 I CB 1.886 39.873 38.000 -0.021 0.000 1.228 10 I HN 0.662 nan 8.210 nan 0.000 0.436 11 D N 7.020 127.432 120.400 0.020 0.000 2.706 11 D HA 0.083 4.724 4.640 0.001 0.000 0.236 11 D C 0.362 176.722 176.300 0.100 0.000 1.231 11 D CA 0.388 54.407 54.000 0.032 0.000 0.828 11 D CB 0.419 41.237 40.800 0.029 0.000 1.015 11 D HN 0.574 nan 8.370 nan 0.000 0.484 12 F N 0.656 120.574 119.950 -0.054 0.000 2.557 12 F HA 0.130 4.658 4.527 0.001 0.000 0.278 12 F C 1.740 177.508 175.800 -0.053 0.000 1.051 12 F CA 0.075 58.048 58.000 -0.045 0.000 1.357 12 F CB 0.111 39.086 39.000 -0.042 0.000 1.104 12 F HN -0.055 nan 8.300 nan 0.000 0.654 13 L N -0.444 120.751 121.223 -0.048 0.000 2.418 13 L HA 0.182 4.522 4.340 0.001 0.000 0.218 13 L C 1.898 178.676 176.870 -0.154 0.000 1.125 13 L CA 1.048 55.798 54.840 -0.150 0.000 0.835 13 L CB -0.497 41.531 42.059 -0.051 0.000 0.953 13 L HN 0.046 nan 8.230 nan 0.000 0.454 14 K N 1.632 121.967 120.400 -0.108 0.000 2.243 14 K HA 0.150 4.471 4.320 0.001 0.000 0.201 14 K C 1.611 178.159 176.600 -0.086 0.000 1.051 14 K CA 1.141 57.378 56.287 -0.084 0.000 0.970 14 K CB -0.085 32.382 32.500 -0.056 0.000 0.755 14 K HN 0.403 nan 8.250 nan 0.000 0.465 15 A N -0.277 122.469 122.820 -0.123 0.000 2.411 15 A HA 0.198 4.518 4.320 0.001 0.000 0.251 15 A C 1.076 178.543 177.584 -0.195 0.000 1.317 15 A CA 0.169 52.130 52.037 -0.127 0.000 0.904 15 A CB -0.181 18.754 19.000 -0.108 0.000 0.993 15 A HN 0.248 nan 8.150 nan 0.000 0.504 16 S N 0.476 116.049 115.700 -0.212 0.000 2.591 16 S HA 0.075 4.545 4.470 0.001 0.000 0.235 16 S C -0.779 173.724 174.600 -0.162 0.000 1.074 16 S CA 0.602 58.667 58.200 -0.224 0.000 0.925 16 S CB -0.362 62.665 63.200 -0.288 0.000 0.818 16 S HN 0.545 nan 8.310 nan 0.000 0.535 17 P HA 0.088 nan 4.420 nan 0.000 0.231 17 P C 0.931 178.112 177.300 -0.199 0.000 1.168 17 P CA 1.045 64.006 63.100 -0.232 0.000 0.779 17 P CB -0.281 31.262 31.700 -0.263 0.000 0.844 18 T N 1.400 115.932 114.554 -0.036 0.000 2.643 18 T HA -0.038 4.312 4.350 0.001 0.000 0.264 18 T C -0.644 174.080 174.700 0.040 0.000 1.045 18 T CA 2.246 64.382 62.100 0.061 0.000 1.155 18 T CB -1.790 67.102 68.868 0.039 0.000 0.863 18 T HN 0.250 nan 8.240 nan 0.000 0.420 19 P HA 0.048 nan 4.420 nan 0.000 0.223 19 P C 1.130 178.435 177.300 0.009 0.000 1.151 19 P CA 0.457 63.557 63.100 0.000 0.000 0.787 19 P CB -0.138 31.552 31.700 -0.018 0.000 0.788 20 F N 0.418 120.271 119.950 -0.161 0.000 2.084 20 F HA -0.189 4.339 4.527 0.001 0.000 0.296 20 F C 2.183 177.903 175.800 -0.134 0.000 1.111 20 F CA 1.772 59.657 58.000 -0.192 0.000 1.224 20 F CB -0.965 37.862 39.000 -0.288 0.000 0.991 20 F HN -0.006 nan 8.300 nan 0.000 0.471 21 H N -0.590 118.422 119.070 -0.095 0.000 2.422 21 H HA -0.076 4.480 4.556 0.001 0.000 0.298 21 H C 2.314 177.533 175.328 -0.183 0.000 1.098 21 H CA 0.893 56.834 56.048 -0.177 0.000 1.315 21 H CB -0.262 29.485 29.762 -0.025 0.000 1.382 21 H HN 0.387 nan 8.280 nan 0.000 0.523 22 A N 0.369 123.183 122.820 -0.010 0.000 1.930 22 A HA -0.173 4.148 4.320 0.001 0.000 0.217 22 A C 2.466 179.991 177.584 -0.098 0.000 1.175 22 A CA 1.845 53.859 52.037 -0.037 0.000 0.627 22 A CB -0.757 18.234 19.000 -0.015 0.000 0.815 22 A HN 0.568 nan 8.150 nan 0.000 0.443 23 T N -2.973 111.486 114.554 -0.158 0.000 2.978 23 T HA 0.348 4.698 4.350 0.001 0.000 0.262 23 T C 1.269 175.794 174.700 -0.292 0.000 1.063 23 T CA 0.827 62.812 62.100 -0.191 0.000 1.140 23 T CB -0.254 68.513 68.868 -0.167 0.000 0.886 23 T HN 0.573 nan 8.240 nan 0.000 0.470 24 A N 2.224 124.753 122.820 -0.485 0.000 3.105 24 A HA 0.522 4.843 4.320 0.001 0.000 0.272 24 A C 1.994 179.414 177.584 -0.273 0.000 1.466 24 A CA 0.134 51.843 52.037 -0.546 0.000 1.101 24 A CB -0.893 17.385 19.000 -1.204 0.000 1.065 24 A HN 0.576 nan 8.150 nan 0.000 0.643 25 S N -0.682 114.906 115.700 -0.187 0.000 2.419 25 S HA 0.040 4.510 4.470 0.001 0.000 0.233 25 S C 0.607 175.138 174.600 -0.115 0.000 1.016 25 S CA 0.890 59.016 58.200 -0.123 0.000 0.974 25 S CB -0.298 62.839 63.200 -0.106 0.000 0.786 25 S HN 0.491 nan 8.310 nan 0.000 0.492 26 L N -1.168 119.980 121.223 -0.124 0.000 2.170 26 L HA 0.822 5.163 4.340 0.001 0.000 0.247 26 L C 1.243 178.073 176.870 -0.066 0.000 1.078 26 L CA 0.013 54.792 54.840 -0.102 0.000 0.936 26 L CB 0.505 42.482 42.059 -0.137 0.000 1.528 26 L HN -0.046 nan 8.230 nan 0.000 0.455 27 A N 0.021 122.821 122.820 -0.033 0.000 1.898 27 A HA -0.104 4.216 4.320 0.001 0.000 0.216 27 A C 1.871 179.471 177.584 0.028 0.000 1.181 27 A CA 1.819 53.870 52.037 0.023 0.000 0.620 27 A CB -0.585 18.448 19.000 0.056 0.000 0.819 27 A HN 0.732 nan 8.150 nan 0.000 0.442 28 R N -1.792 118.716 120.500 0.013 0.000 2.210 28 R HA 0.129 4.469 4.340 0.001 0.000 0.203 28 R C 1.681 177.981 176.300 -0.001 0.000 1.010 28 R CA 0.423 56.542 56.100 0.032 0.000 1.008 28 R CB -0.179 30.149 30.300 0.046 0.000 0.923 28 R HN 0.183 nan 8.270 nan 0.000 0.469 29 R N 1.083 121.550 120.500 -0.055 0.000 2.153 29 R HA 0.043 4.384 4.340 0.001 0.000 0.218 29 R C 2.117 178.328 176.300 -0.149 0.000 1.072 29 R CA 0.581 56.621 56.100 -0.100 0.000 0.990 29 R CB -0.552 29.672 30.300 -0.127 0.000 0.889 29 R HN 0.313 nan 8.270 nan 0.000 0.452 30 L N 0.990 122.134 121.223 -0.131 0.000 2.072 30 L HA -0.139 4.202 4.340 0.001 0.000 0.205 30 L C 2.342 179.207 176.870 -0.008 0.000 1.079 30 L CA 1.414 56.165 54.840 -0.147 0.000 0.752 30 L CB -0.113 41.914 42.059 -0.052 0.000 0.906 30 L HN 0.041 nan 8.230 nan 0.000 0.436 31 E N -0.004 120.218 120.200 0.036 0.000 2.077 31 E HA -0.228 4.122 4.350 0.001 0.000 0.193 31 E C 2.025 178.684 176.600 0.097 0.000 0.989 31 E CA 1.544 58.010 56.400 0.109 0.000 0.800 31 E CB -0.135 29.648 29.700 0.140 0.000 0.746 31 E HN 0.551 nan 8.360 nan 0.000 0.452 32 A N 0.636 123.450 122.820 -0.009 0.000 1.877 32 A HA -0.038 4.282 4.320 0.001 0.000 0.216 32 A C 2.391 179.687 177.584 -0.480 0.000 1.186 32 A CA 1.919 53.811 52.037 -0.242 0.000 0.620 32 A CB -0.949 17.983 19.000 -0.113 0.000 0.822 32 A HN 0.375 nan 8.150 nan 0.000 0.443 33 A N -0.681 121.996 122.820 -0.238 0.000 2.119 33 A HA 0.257 4.577 4.320 0.001 0.000 0.217 33 A C 2.207 179.800 177.584 0.014 0.000 1.153 33 A CA 1.535 53.487 52.037 -0.141 0.000 0.692 33 A CB -1.016 17.885 19.000 -0.165 0.000 0.799 33 A HN 0.636 nan 8.150 nan 0.000 0.458 34 G N -0.178 108.635 108.800 0.020 0.000 2.434 34 G HA2 -0.194 3.767 3.960 0.001 0.000 0.214 34 G HA3 -0.194 3.767 3.960 0.001 0.000 0.214 34 G C 1.477 176.324 174.900 -0.088 0.000 1.202 34 G CA 1.199 46.332 45.100 0.054 0.000 0.788 34 G HN 0.836 nan 8.290 nan 0.000 0.539 35 Y N -0.084 120.122 120.300 -0.157 0.000 2.516 35 Y HA 0.339 4.890 4.550 0.001 0.000 0.291 35 Y C 2.638 178.438 175.900 -0.166 0.000 1.131 35 Y CA 0.352 58.242 58.100 -0.350 0.000 1.281 35 Y CB -0.109 38.050 38.460 -0.500 0.000 1.013 35 Y HN -0.012 nan 8.280 nan 0.000 0.554 36 R N 0.482 120.725 120.500 -0.427 0.000 2.115 36 R HA -0.075 4.265 4.340 0.001 0.000 0.230 36 R C 2.357 178.606 176.300 -0.084 0.000 1.111 36 R CA 1.359 57.319 56.100 -0.233 0.000 0.976 36 R CB -0.153 29.973 30.300 -0.290 0.000 0.870 36 R HN 0.376 nan 8.270 nan 0.000 0.445 37 R N 0.430 120.877 120.500 -0.088 0.000 2.146 37 R HA 0.037 4.378 4.340 0.001 0.000 0.206 37 R C 0.445 176.713 176.300 -0.053 0.000 1.049 37 R CA 0.177 56.241 56.100 -0.059 0.000 1.029 37 R CB 0.087 30.344 30.300 -0.072 0.000 0.949 37 R HN 0.031 nan 8.270 nan 0.000 0.471 38 L N 3.953 125.127 121.223 -0.081 0.000 2.376 38 L HA 0.097 4.438 4.340 0.001 0.000 0.250 38 L C -1.561 175.285 176.870 -0.039 0.000 1.335 38 L CA 0.435 55.223 54.840 -0.087 0.000 1.214 38 L CB -0.252 41.718 42.059 -0.147 0.000 1.395 38 L HN 0.170 nan 8.230 nan 0.000 0.424 39 D N 2.578 122.995 120.400 0.028 0.000 2.688 39 D HA 0.237 4.878 4.640 0.001 0.000 0.210 39 D C -0.738 175.597 176.300 0.058 0.000 1.333 39 D CA -0.500 53.562 54.000 0.102 0.000 0.920 39 D CB 0.994 41.903 40.800 0.183 0.000 1.554 39 D HN 0.088 nan 8.370 nan 0.000 0.579 50 G N 0.197 108.919 108.800 -0.130 0.000 2.502 50 G HA2 0.649 4.610 3.960 0.001 0.000 0.305 50 G HA3 0.649 4.610 3.960 0.001 0.000 0.305 50 G C 0.292 174.919 174.900 -0.453 0.000 1.190 50 G CA -0.831 44.000 45.100 -0.449 0.000 0.933 50 G HN 0.726 nan 8.290 nan 0.000 0.503 51 R N -1.258 118.804 120.500 -0.731 0.000 2.522 51 R HA 0.232 4.572 4.340 0.001 0.000 0.373 51 R C -1.208 174.964 176.300 -0.213 0.000 1.062 51 R CA -0.832 55.071 56.100 -0.327 0.000 1.167 51 R CB -1.201 28.991 30.300 -0.181 0.000 1.378 51 R HN 0.404 nan 8.270 nan 0.000 0.662 52 Y N 1.055 121.400 120.300 0.074 0.000 2.299 52 Y HA 0.492 5.042 4.550 0.001 0.000 0.335 52 Y C 0.482 176.462 175.900 0.133 0.000 1.287 52 Y CA -0.780 57.342 58.100 0.036 0.000 1.424 52 Y CB 0.429 38.872 38.460 -0.028 0.000 1.326 52 Y HN 0.256 nan 8.280 nan 0.000 0.567 53 Y N -2.723 117.690 120.300 0.189 0.000 2.544 53 Y HA 0.775 5.326 4.550 0.001 0.000 0.342 53 Y C -1.876 174.066 175.900 0.070 0.000 1.062 53 Y CA -1.858 56.310 58.100 0.114 0.000 1.023 53 Y CB 0.653 39.168 38.460 0.092 0.000 1.308 53 Y HN 0.327 nan 8.280 nan 0.000 0.457 54 V N 2.292 122.330 119.914 0.206 0.000 2.513 54 V HA 0.422 4.543 4.120 0.001 0.000 0.299 54 V C -0.035 176.153 176.094 0.157 0.000 1.035 54 V CA -0.156 62.201 62.300 0.096 0.000 0.889 54 V CB 1.528 33.383 31.823 0.052 0.000 0.988 54 V HN 1.098 nan 8.190 nan 0.000 0.440 55 T N 1.685 116.296 114.554 0.095 0.000 3.038 55 T HA 0.161 4.512 4.350 0.001 0.000 0.244 55 T C 1.449 176.176 174.700 0.045 0.000 1.016 55 T CA 0.501 62.657 62.100 0.094 0.000 1.098 55 T CB 0.138 69.041 68.868 0.059 0.000 0.954 55 T HN 0.679 nan 8.240 nan 0.000 0.469 56 R N 0.941 121.446 120.500 0.008 0.000 3.692 56 R HA -0.325 4.016 4.340 0.001 0.000 0.302 56 R C 1.174 177.465 176.300 -0.015 0.000 0.595 56 R CA 2.218 58.311 56.100 -0.012 0.000 1.154 56 R CB -1.547 28.744 30.300 -0.016 0.000 0.832 56 R HN 0.426 nan 8.270 nan 0.000 0.575 57 N N 1.168 119.864 118.700 -0.006 0.000 2.461 57 N HA -0.074 4.667 4.740 0.001 0.000 0.188 57 N C -0.695 174.816 175.510 0.002 0.000 1.134 57 N CA 1.087 54.127 53.050 -0.016 0.000 0.878 57 N CB 0.145 38.625 38.487 -0.012 0.000 0.972 57 N HN 0.377 nan 8.380 nan 0.000 0.456 58 D N -0.558 119.859 120.400 0.027 0.000 2.981 58 D HA -0.128 4.512 4.640 0.001 0.000 0.223 58 D C -0.027 176.323 176.300 0.083 0.000 1.151 58 D CA 0.777 54.811 54.000 0.058 0.000 0.827 58 D CB -1.356 39.470 40.800 0.042 0.000 1.101 58 D HN 0.279 nan 8.370 nan 0.000 0.426 59 S N -1.770 113.982 115.700 0.087 0.000 2.546 59 S HA 0.086 4.557 4.470 0.001 0.000 0.282 59 S C 0.213 174.884 174.600 0.119 0.000 1.074 59 S CA -0.174 58.090 58.200 0.106 0.000 1.254 59 S CB 1.144 64.413 63.200 0.115 0.000 1.103 59 S HN 0.105 nan 8.310 nan 0.000 0.589 60 S N 2.207 117.971 115.700 0.106 0.000 2.520 60 S HA 0.618 5.088 4.470 0.001 0.000 0.324 60 S C -1.026 173.640 174.600 0.109 0.000 1.069 60 S CA -0.383 57.889 58.200 0.119 0.000 1.121 60 S CB 1.385 64.643 63.200 0.096 0.000 0.971 60 S HN 0.287 nan 8.310 nan 0.000 0.463 61 L N 4.739 126.033 121.223 0.117 0.000 2.307 61 L HA 0.654 4.995 4.340 0.001 0.000 0.284 61 L C -1.118 175.834 176.870 0.137 0.000 1.023 61 L CA -0.327 54.592 54.840 0.132 0.000 0.810 61 L CB 0.924 43.053 42.059 0.117 0.000 1.231 61 L HN 0.598 nan 8.230 nan 0.000 0.423 62 I N 5.029 125.698 120.570 0.166 0.000 2.439 62 I HA 0.479 4.650 4.170 0.001 0.000 0.283 62 I C -0.363 175.875 176.117 0.202 0.000 1.023 62 I CA -0.563 60.841 61.300 0.173 0.000 1.100 62 I CB 1.801 39.899 38.000 0.164 0.000 1.238 62 I HN 0.712 nan 8.210 nan 0.000 0.445 63 A N 8.040 130.967 122.820 0.179 0.000 2.294 63 A HA 0.749 5.069 4.320 0.001 0.000 0.316 63 A C -0.469 177.212 177.584 0.163 0.000 1.359 63 A CA -0.293 51.856 52.037 0.186 0.000 0.956 63 A CB -0.178 18.892 19.000 0.117 0.000 1.155 63 A HN 0.600 nan 8.150 nan 0.000 0.544 64 I N 2.148 122.832 120.570 0.191 0.000 2.392 64 I HA 0.556 4.727 4.170 0.001 0.000 0.295 64 I C 0.601 176.794 176.117 0.127 0.000 0.985 64 I CA -0.323 61.093 61.300 0.193 0.000 1.221 64 I CB 1.246 39.398 38.000 0.252 0.000 1.366 64 I HN 0.620 nan 8.210 nan 0.000 0.467 65 R N 6.568 127.122 120.500 0.091 0.000 2.538 65 R HA 0.606 4.946 4.340 0.001 0.000 0.292 65 R C -1.973 174.332 176.300 0.009 0.000 1.008 65 R CA -0.589 55.508 56.100 -0.004 0.000 0.896 65 R CB 1.389 31.645 30.300 -0.073 0.000 1.187 65 R HN 0.694 nan 8.270 nan 0.000 0.440 66 L N 2.572 123.787 121.223 -0.014 0.000 2.344 66 L HA 0.741 5.081 4.340 0.001 0.000 0.272 66 L C 0.830 177.677 176.870 -0.039 0.000 1.035 66 L CA -0.706 54.130 54.840 -0.006 0.000 0.807 66 L CB 1.970 44.051 42.059 0.038 0.000 1.237 66 L HN 0.827 nan 8.230 nan 0.000 0.442 71 P HA 0.259 nan 4.420 nan 0.000 0.262 71 P C 0.964 178.230 177.300 -0.057 0.000 1.647 71 P CA 0.054 63.108 63.100 -0.076 0.000 0.865 71 P CB -0.199 31.459 31.700 -0.069 0.000 1.834 72 L N 0.025 121.219 121.223 -0.048 0.000 3.572 72 L HA -0.332 4.008 4.340 0.001 0.000 0.053 72 L C 1.096 177.953 176.870 -0.021 0.000 4.349 72 L CA 2.668 57.502 54.840 -0.011 0.000 0.629 72 L CB -1.236 40.828 42.059 0.008 0.000 3.504 72 L HN 0.334 nan 8.230 nan 0.000 0.812 73 E N -0.414 119.772 120.200 -0.023 0.000 2.311 73 E HA 0.190 4.540 4.350 0.001 0.000 0.198 73 E C 1.182 177.763 176.600 -0.033 0.000 1.115 73 E CA 0.762 57.150 56.400 -0.019 0.000 1.140 73 E CB 0.565 30.259 29.700 -0.009 0.000 1.204 73 E HN 0.512 nan 8.360 nan 0.000 0.446 74 S N -0.142 115.522 115.700 -0.061 0.000 2.524 74 S HA 0.359 4.830 4.470 0.001 0.000 0.222 74 S C 0.937 175.485 174.600 -0.087 0.000 1.040 74 S CA 0.637 58.792 58.200 -0.074 0.000 0.915 74 S CB 0.029 63.168 63.200 -0.101 0.000 0.831 74 S HN 0.645 nan 8.310 nan 0.000 0.492 75 G N 0.539 109.275 108.800 -0.106 0.000 2.782 75 G HA2 -0.185 3.775 3.960 0.001 0.000 0.228 75 G HA3 -0.185 3.775 3.960 0.001 0.000 0.228 75 G C -0.626 174.176 174.900 -0.164 0.000 1.372 75 G CA -0.342 44.716 45.100 -0.069 0.000 0.862 75 G HN 0.383 nan 8.290 nan 0.000 0.547 76 F N -0.090 119.864 119.950 0.006 0.000 2.541 76 F HA 0.760 5.288 4.527 0.001 0.000 0.331 76 F C 1.165 176.995 175.800 0.049 0.000 1.057 76 F CA -0.872 57.147 58.000 0.031 0.000 0.975 76 F CB 1.923 40.948 39.000 0.042 0.000 1.246 76 F HN 0.247 nan 8.300 nan 0.000 0.484 77 R N 3.141 123.834 120.500 0.322 0.000 2.868 77 R HA 0.327 4.667 4.340 0.001 0.000 0.289 77 R C -1.417 175.164 176.300 0.469 0.000 1.443 77 R CA -0.523 55.725 56.100 0.247 0.000 1.651 77 R CB -0.096 30.134 30.300 -0.118 0.000 1.242 77 R HN 0.463 nan 8.270 nan 0.000 0.621 78 L N 0.393 121.861 121.223 0.409 0.000 2.439 78 L HA 0.406 4.746 4.340 0.001 0.000 0.269 78 L C 0.560 177.603 176.870 0.289 0.000 1.179 78 L CA -0.083 54.929 54.840 0.286 0.000 0.828 78 L CB 0.771 42.889 42.059 0.098 0.000 1.106 78 L HN -0.016 nan 8.230 nan 0.000 0.467 79 V N 1.005 121.047 119.914 0.212 0.000 3.023 79 V HA 0.928 5.048 4.120 0.001 0.000 0.294 79 V C -0.675 175.470 176.094 0.085 0.000 1.324 79 V CA 0.304 62.656 62.300 0.087 0.000 0.979 79 V CB 1.976 33.852 31.823 0.088 0.000 1.093 79 V HN 0.911 nan 8.190 nan 0.000 0.434 80 G N 3.265 112.077 108.800 0.019 0.000 2.547 80 G HA2 0.969 4.930 3.960 0.001 0.000 0.291 80 G HA3 0.969 4.930 3.960 0.001 0.000 0.291 80 G C -1.235 173.646 174.900 -0.031 0.000 1.471 80 G CA 0.014 45.123 45.100 0.015 0.000 0.798 80 G HN 1.879 nan 8.290 nan 0.000 0.504 81 A N 0.120 122.867 122.820 -0.121 0.000 2.589 81 A HA 0.800 5.121 4.320 0.001 0.000 0.296 81 A C -0.464 176.960 177.584 -0.268 0.000 1.062 81 A CA -0.537 51.413 52.037 -0.144 0.000 0.686 81 A CB 0.699 19.627 19.000 -0.120 0.000 1.282 81 A HN 1.988 nan 8.150 nan 0.000 0.404 82 H N -0.483 118.533 119.070 -0.090 0.000 2.660 82 H HA 0.542 5.099 4.556 0.001 0.000 0.374 82 H C 1.160 176.499 175.328 0.018 0.000 1.291 82 H CA 0.408 56.452 56.048 -0.007 0.000 1.437 82 H CB 0.378 30.266 29.762 0.210 0.000 1.509 82 H HN 0.595 nan 8.280 nan 0.000 0.614 83 T N -2.610 112.060 114.554 0.193 0.000 3.042 83 T HA -0.012 4.338 4.350 0.001 0.000 0.245 83 T C 0.540 175.346 174.700 0.177 0.000 1.029 83 T CA 0.142 62.323 62.100 0.135 0.000 1.120 83 T CB -0.322 68.618 68.868 0.120 0.000 0.917 83 T HN 0.811 nan 8.240 nan 0.000 0.467 84 D N 2.704 123.264 120.400 0.268 0.000 2.360 84 D HA 0.356 4.997 4.640 0.001 0.000 0.242 84 D C -0.300 176.141 176.300 0.234 0.000 1.184 84 D CA -0.282 53.854 54.000 0.226 0.000 0.930 84 D CB 1.186 42.139 40.800 0.254 0.000 1.161 84 D HN 0.498 nan 8.370 nan 0.000 0.447 85 S N -1.238 114.550 115.700 0.146 0.000 2.536 85 S HA 0.481 4.952 4.470 0.001 0.000 0.271 85 S C -3.116 171.498 174.600 0.024 0.000 1.134 85 S CA -1.462 56.766 58.200 0.047 0.000 0.897 85 S CB 1.454 64.665 63.200 0.017 0.000 1.094 85 S HN 0.206 nan 8.310 nan 0.000 0.473 86 P HA 0.166 nan 4.420 nan 0.000 0.255 86 P C 0.031 177.336 177.300 0.009 0.000 1.173 86 P CA 0.097 63.139 63.100 -0.097 0.000 0.780 86 P CB -0.606 30.981 31.700 -0.189 0.000 0.758 87 C N 2.345 121.698 119.300 0.088 0.000 3.275 87 C HA 0.638 5.099 4.460 0.001 0.000 0.373 87 C C -1.204 173.805 174.990 0.032 0.000 1.934 87 C CA -1.034 58.007 59.018 0.037 0.000 1.228 87 C CB 0.297 28.037 27.740 -0.001 0.000 2.317 87 C HN 0.201 nan 8.230 nan 0.000 0.437 88 L N 2.002 123.201 121.223 -0.039 0.000 2.283 88 L HA 0.586 4.926 4.340 0.001 0.000 0.281 88 L C 0.276 177.076 176.870 -0.115 0.000 1.033 88 L CA 0.158 54.957 54.840 -0.069 0.000 0.848 88 L CB 0.440 42.437 42.059 -0.102 0.000 1.226 88 L HN 0.691 nan 8.230 nan 0.000 0.429 89 R N 2.523 122.956 120.500 -0.113 0.000 2.267 89 R HA 0.433 4.774 4.340 0.001 0.000 0.319 89 R C -0.870 175.357 176.300 -0.122 0.000 1.067 89 R CA -0.352 55.640 56.100 -0.180 0.000 0.936 89 R CB 0.612 30.746 30.300 -0.277 0.000 1.006 89 R HN 0.365 nan 8.270 nan 0.000 0.452 90 V N 5.798 125.652 119.914 -0.100 0.000 2.585 90 V HA 0.046 4.167 4.120 0.001 0.000 0.296 90 V C 0.741 176.814 176.094 -0.036 0.000 1.035 90 V CA -0.023 62.242 62.300 -0.059 0.000 1.084 90 V CB 0.554 32.361 31.823 -0.027 0.000 0.953 90 V HN 0.763 nan 8.190 nan 0.000 0.483 91 K N 5.564 125.950 120.400 -0.024 0.000 2.230 91 K HA 0.132 4.453 4.320 0.001 0.000 0.253 91 K C -1.457 175.146 176.600 0.005 0.000 1.008 91 K CA -1.008 55.273 56.287 -0.010 0.000 0.910 91 K CB 0.039 32.537 32.500 -0.003 0.000 0.994 91 K HN 0.365 nan 8.250 nan 0.000 0.495 92 P HA -0.219 nan 4.420 nan 0.000 0.206 92 P C -0.369 176.942 177.300 0.018 0.000 1.142 92 P CA 1.551 64.662 63.100 0.018 0.000 0.946 92 P CB 0.189 31.900 31.700 0.017 0.000 0.777 93 N N -1.405 117.305 118.700 0.017 0.000 2.750 93 N HA 0.181 4.921 4.740 0.001 0.000 0.253 93 N C -2.571 172.949 175.510 0.016 0.000 1.408 93 N CA -0.686 52.379 53.050 0.024 0.000 0.780 93 N CB 1.271 39.761 38.487 0.005 0.000 1.191 93 N HN 0.181 nan 8.380 nan 0.000 0.511 94 P HA 0.235 nan 4.420 nan 0.000 0.206 94 P C -0.490 176.835 177.300 0.042 0.000 1.854 94 P CA -0.185 62.931 63.100 0.027 0.000 0.969 94 P CB 0.199 31.913 31.700 0.024 0.000 1.843 95 E N 1.741 121.961 120.200 0.033 0.000 2.081 95 E HA 0.161 4.511 4.350 0.001 0.000 0.270 95 E C 0.143 176.763 176.600 0.035 0.000 1.180 95 E CA 0.053 56.480 56.400 0.046 0.000 0.926 95 E CB 0.539 30.246 29.700 0.013 0.000 1.035 95 E HN 0.475 nan 8.360 nan 0.000 0.418 96 I N 2.102 122.704 120.570 0.053 0.000 2.371 96 I HA 0.263 4.434 4.170 0.001 0.000 0.282 96 I C 0.086 176.239 176.117 0.061 0.000 1.031 96 I CA -0.679 60.651 61.300 0.049 0.000 1.180 96 I CB 1.389 39.420 38.000 0.052 0.000 1.336 96 I HN 0.273 nan 8.210 nan 0.000 0.467 97 A N 7.579 130.425 122.820 0.043 0.000 2.341 97 A HA 0.668 4.989 4.320 0.001 0.000 0.326 97 A C -0.096 177.499 177.584 0.018 0.000 1.402 97 A CA -0.483 51.576 52.037 0.036 0.000 0.957 97 A CB 0.172 19.182 19.000 0.018 0.000 1.151 97 A HN 0.726 nan 8.150 nan 0.000 0.533 98 R N 2.422 122.944 120.500 0.037 0.000 2.561 98 R HA 0.378 4.718 4.340 0.001 0.000 0.297 98 R C -0.452 175.802 176.300 -0.077 0.000 0.969 98 R CA -0.848 55.262 56.100 0.016 0.000 0.879 98 R CB 1.173 31.518 30.300 0.075 0.000 1.178 98 R HN 0.788 nan 8.270 nan 0.000 0.445 99 N N 1.238 119.831 118.700 -0.179 0.000 2.714 99 N HA -0.215 4.526 4.740 0.001 0.000 0.250 99 N C 0.619 175.591 175.510 -0.896 0.000 1.117 99 N CA 1.567 54.370 53.050 -0.412 0.000 0.719 99 N CB -0.985 37.344 38.487 -0.264 0.000 1.081 99 N HN 1.128 nan 8.380 nan 0.000 0.557 100 G N -1.812 106.657 108.800 -0.552 0.000 2.179 100 G HA2 -0.318 3.643 3.960 0.001 0.000 0.260 100 G HA3 -0.318 3.643 3.960 0.001 0.000 0.260 100 G C -0.052 174.617 174.900 -0.384 0.000 0.977 100 G CA 0.390 45.207 45.100 -0.471 0.000 0.641 100 G HN 0.452 nan 8.290 nan 0.000 0.533 101 F N -0.189 119.765 119.950 0.007 0.000 2.443 101 F HA 0.686 5.214 4.527 0.000 0.000 0.335 101 F C 0.586 176.394 175.800 0.012 0.000 1.104 101 F CA -1.245 56.758 58.000 0.006 0.000 1.013 101 F CB 1.679 40.683 39.000 0.007 0.000 1.136 101 F HN 0.017 nan 8.300 nan 0.000 0.470 102 L N 3.617 124.954 121.223 0.190 0.000 2.292 102 L HA 0.401 4.742 4.340 0.001 0.000 0.284 102 L C -0.692 176.254 176.870 0.127 0.000 1.065 102 L CA -0.111 54.803 54.840 0.123 0.000 0.806 102 L CB 0.989 43.100 42.059 0.086 0.000 1.175 102 L HN 0.699 nan 8.230 nan 0.000 0.431 103 Q N 4.859 124.731 119.800 0.119 0.000 2.423 103 Q HA 0.572 4.913 4.340 0.001 0.000 0.278 103 Q C -1.529 174.540 176.000 0.115 0.000 1.097 103 Q CA -0.844 55.029 55.803 0.117 0.000 0.809 103 Q CB 3.063 31.860 28.738 0.098 0.000 1.391 103 Q HN 0.555 nan 8.270 nan 0.000 0.428 104 L N 1.312 122.610 121.223 0.125 0.000 2.345 104 L HA 0.481 4.821 4.340 0.001 0.000 0.274 104 L C 0.449 177.341 176.870 0.037 0.000 0.999 104 L CA -0.851 54.046 54.840 0.095 0.000 0.849 104 L CB 1.532 43.671 42.059 0.134 0.000 1.220 104 L HN 0.720 nan 8.230 nan 0.000 0.422 105 G N 2.633 111.448 108.800 0.025 0.000 2.414 105 G HA2 0.359 4.320 3.960 0.001 0.000 0.236 105 G HA3 0.359 4.320 3.960 0.001 0.000 0.236 105 G C -0.098 174.791 174.900 -0.019 0.000 1.293 105 G CA -0.123 44.978 45.100 0.002 0.000 0.869 105 G HN 0.447 nan 8.290 nan 0.000 0.556 106 V N 0.080 119.973 119.914 -0.035 0.000 2.823 106 V HA 0.648 4.769 4.120 0.001 0.000 0.312 106 V C -0.265 175.808 176.094 -0.036 0.000 1.072 106 V CA -1.386 60.883 62.300 -0.052 0.000 0.937 106 V CB 2.049 33.823 31.823 -0.083 0.000 1.013 106 V HN 0.757 nan 8.190 nan 0.000 0.430 107 E N 1.599 121.779 120.200 -0.032 0.000 2.266 107 E HA 0.457 4.808 4.350 0.001 0.000 0.277 107 E C -0.717 175.890 176.600 0.011 0.000 1.018 107 E CA -0.808 55.588 56.400 -0.007 0.000 0.840 107 E CB 2.190 31.889 29.700 -0.002 0.000 1.082 107 E HN 0.638 nan 8.360 nan 0.000 0.395 108 V N 4.173 124.098 119.914 0.019 0.000 2.055 108 V HA -0.034 4.087 4.120 0.001 0.000 0.248 108 V C -0.398 175.722 176.094 0.042 0.000 1.476 108 V CA -0.123 62.189 62.300 0.020 0.000 1.417 108 V CB -1.550 30.276 31.823 0.005 0.000 1.465 108 V HN 0.519 nan 8.190 nan 0.000 0.502 109 Y N 3.760 124.018 120.300 -0.070 0.000 2.402 109 Y HA 0.514 5.064 4.550 0.001 0.000 0.333 109 Y C 1.091 176.949 175.900 -0.069 0.000 1.076 109 Y CA 1.264 59.316 58.100 -0.080 0.000 1.299 109 Y CB 0.448 38.839 38.460 -0.116 0.000 1.197 109 Y HN 0.771 nan 8.280 nan 0.000 0.517 110 G N 3.714 112.159 108.800 -0.592 0.000 2.498 110 G HA2 -0.176 3.784 3.960 0.001 0.000 0.251 110 G HA3 -0.176 3.784 3.960 0.001 0.000 0.251 110 G C 0.358 175.164 174.900 -0.157 0.000 1.170 110 G CA -0.386 44.437 45.100 -0.462 0.000 0.944 110 G HN 1.266 nan 8.290 nan 0.000 0.567 111 G N -0.458 108.330 108.800 -0.019 0.000 2.651 111 G HA2 0.693 4.654 3.960 0.001 0.000 0.260 111 G HA3 0.693 4.654 3.960 0.001 0.000 0.260 111 G C 0.876 175.799 174.900 0.039 0.000 1.216 111 G CA 1.336 46.524 45.100 0.148 0.000 0.913 111 G HN 1.942 nan 8.290 nan 0.000 0.535 112 A N -0.890 121.935 122.820 0.009 0.000 3.669 112 A HA 0.785 5.106 4.320 0.001 0.000 0.190 112 A C 0.620 178.170 177.584 -0.057 0.000 1.964 112 A CA 0.269 52.286 52.037 -0.034 0.000 1.580 112 A CB -0.652 18.307 19.000 -0.068 0.000 1.200 112 A HN 1.354 nan 8.150 nan 0.000 0.359 113 L N -3.579 117.532 121.223 -0.186 0.000 0.586 113 L HA -0.235 4.106 4.340 0.001 0.000 0.356 113 L C 0.558 177.303 176.870 -0.208 0.000 0.969 113 L CA 0.143 54.774 54.840 -0.349 0.000 1.223 113 L CB -0.706 41.264 42.059 -0.148 0.000 0.020 113 L HN 0.717 nan 8.230 nan 0.000 0.091 114 F N 0.433 120.492 119.950 0.181 0.000 2.078 114 F HA 0.267 4.793 4.527 -0.001 0.000 0.282 114 F C 1.691 177.788 175.800 0.494 0.000 1.246 114 F CA 0.818 59.010 58.000 0.319 0.000 1.116 114 F CB -0.706 38.347 39.000 0.088 0.000 0.995 114 F HN 0.579 nan 8.300 nan 0.000 0.499 115 A N 2.036 125.203 122.820 0.579 0.000 2.526 115 A HA 0.149 4.470 4.320 0.001 0.000 0.267 115 A C -1.475 176.257 177.584 0.248 0.000 1.095 115 A CA -0.979 51.298 52.037 0.399 0.000 0.775 115 A CB -1.050 18.098 19.000 0.247 0.000 1.036 115 A HN 0.317 nan 8.150 nan 0.000 0.510 116 P HA -0.261 nan 4.420 nan 0.000 0.231 116 P C 0.178 177.582 177.300 0.174 0.000 0.982 116 P CA 1.857 65.021 63.100 0.107 0.000 1.072 116 P CB -0.485 31.211 31.700 -0.007 0.000 0.706 117 W N -1.357 120.062 121.300 0.199 0.000 2.480 117 W HA 0.125 4.786 4.660 0.001 0.000 0.337 117 W C 1.119 177.932 176.519 0.490 0.000 1.201 117 W CA 0.792 58.325 57.345 0.315 0.000 1.309 117 W CB -0.800 28.871 29.460 0.352 0.000 1.168 117 W HN 0.064 nan 8.180 nan 0.000 0.566 118 F N -0.911 119.192 119.950 0.255 0.000 2.183 118 F HA -0.362 4.165 4.527 0.000 0.000 0.318 118 F C 0.758 176.619 175.800 0.101 0.000 0.351 118 F CA 0.356 58.449 58.000 0.156 0.000 0.912 118 F CB -1.635 37.453 39.000 0.147 0.000 4.135 118 F HN 0.507 nan 8.300 nan 0.000 0.137 119 D N -0.859 119.735 120.400 0.322 0.000 10.890 119 D HA -0.145 4.495 4.640 0.001 0.000 0.359 119 D C 0.678 177.052 176.300 0.122 0.000 3.118 119 D CA 0.666 54.776 54.000 0.183 0.000 2.613 119 D CB -0.142 40.749 40.800 0.151 0.000 1.178 119 D HN 0.461 nan 8.370 nan 0.000 0.941 120 R N 0.853 121.410 120.500 0.096 0.000 2.070 120 R HA -0.080 4.261 4.340 0.001 0.000 0.232 120 R C -0.005 176.354 176.300 0.098 0.000 1.138 120 R CA 1.549 57.697 56.100 0.080 0.000 0.936 120 R CB -0.666 29.673 30.300 0.065 0.000 0.839 120 R HN 0.668 nan 8.270 nan 0.000 0.429 121 D N -0.337 120.120 120.400 0.094 0.000 10.484 121 D HA -0.178 4.463 4.640 0.001 0.000 0.318 121 D C -0.657 175.761 176.300 0.196 0.000 3.002 121 D CA 0.741 54.808 54.000 0.111 0.000 2.679 121 D CB -0.144 40.737 40.800 0.136 0.000 1.149 121 D HN 0.110 nan 8.370 nan 0.000 0.891 122 L N 0.688 121.987 121.223 0.126 0.000 2.565 122 L HA 0.379 4.720 4.340 0.001 0.000 0.261 122 L C -0.793 176.084 176.870 0.013 0.000 0.932 122 L CA -0.331 54.626 54.840 0.194 0.000 0.878 122 L CB 2.193 44.323 42.059 0.118 0.000 1.333 122 L HN 0.379 nan 8.230 nan 0.000 0.409 123 S N 5.233 120.994 115.700 0.102 0.000 2.528 123 S HA 0.708 5.178 4.470 0.001 0.000 0.277 123 S C -0.145 174.456 174.600 0.002 0.000 1.297 123 S CA -0.360 57.859 58.200 0.032 0.000 1.052 123 S CB 0.355 63.736 63.200 0.301 0.000 0.917 123 S HN 0.549 nan 8.310 nan 0.000 0.492 124 L N 0.951 121.905 121.223 -0.448 0.000 2.568 124 L HA 1.021 5.362 4.340 0.001 0.000 0.257 124 L C -0.562 175.565 176.870 -1.238 0.000 1.024 124 L CA -1.028 53.420 54.840 -0.653 0.000 0.854 124 L CB 1.218 43.090 42.059 -0.312 0.000 1.460 124 L HN 0.818 nan 8.230 nan 0.000 0.409 125 A N 0.026 122.373 122.820 -0.788 0.000 2.911 125 A HA 0.391 4.711 4.320 0.001 0.000 0.634 125 A C -0.100 177.384 177.584 -0.167 0.000 0.665 125 A CA -0.219 51.534 52.037 -0.473 0.000 0.253 125 A CB -2.031 16.705 19.000 -0.440 0.000 3.624 125 A HN 2.007 nan 8.150 nan 0.000 0.545 126 G N -0.719 108.110 108.800 0.048 0.000 2.503 126 G HA2 0.594 4.554 3.960 0.001 0.000 0.257 126 G HA3 0.594 4.554 3.960 0.001 0.000 0.257 126 G C 0.016 175.076 174.900 0.267 0.000 1.214 126 G CA 0.472 45.659 45.100 0.146 0.000 0.839 126 G HN 1.208 nan 8.290 nan 0.000 0.559 127 R N 1.486 122.091 120.500 0.176 0.000 2.518 127 R HA 0.359 4.699 4.340 0.001 0.000 0.296 127 R C -1.407 174.901 176.300 0.013 0.000 1.080 127 R CA -0.577 55.581 56.100 0.097 0.000 0.922 127 R CB 1.743 32.083 30.300 0.066 0.000 1.184 127 R HN 0.343 nan 8.270 nan 0.000 0.445 128 V N 5.083 124.978 119.914 -0.032 0.000 2.387 128 V HA 0.107 4.228 4.120 0.001 0.000 0.260 128 V C 0.880 176.895 176.094 -0.132 0.000 1.054 128 V CA -0.102 62.156 62.300 -0.069 0.000 0.967 128 V CB 0.694 32.467 31.823 -0.082 0.000 1.036 128 V HN 0.906 nan 8.190 nan 0.000 0.481 129 T N 2.007 116.506 114.554 -0.092 0.000 2.754 129 T HA 0.375 4.726 4.350 0.001 0.000 0.286 129 T C -0.006 174.624 174.700 -0.117 0.000 0.997 129 T CA -0.493 61.547 62.100 -0.100 0.000 0.982 129 T CB 0.320 69.192 68.868 0.007 0.000 1.027 129 T HN 0.201 nan 8.240 nan 0.000 0.529 130 F N 1.616 121.569 119.950 0.004 0.000 2.650 130 F HA 0.351 4.878 4.527 0.001 0.000 0.338 130 F C 1.745 177.547 175.800 0.003 0.000 1.311 130 F CA 0.078 58.081 58.000 0.004 0.000 1.106 130 F CB -0.694 38.309 39.000 0.005 0.000 1.500 130 F HN 0.642 nan 8.300 nan 0.000 0.670 131 R N 1.630 122.206 120.500 0.127 0.000 2.555 131 R HA 0.224 4.565 4.340 0.001 0.000 0.050 131 R C 0.007 176.330 176.300 0.037 0.000 0.500 131 R CA 0.505 56.655 56.100 0.082 0.000 0.738 131 R CB -0.582 29.761 30.300 0.072 0.000 0.868 131 R HN 0.409 nan 8.270 nan 0.000 0.584 132 A N 1.473 124.302 122.820 0.014 0.000 2.475 132 A HA -0.220 4.101 4.320 0.001 0.000 0.295 132 A C -0.774 176.803 177.584 -0.012 0.000 1.457 132 A CA 1.414 53.445 52.037 -0.010 0.000 0.734 132 A CB -1.632 17.365 19.000 -0.005 0.000 1.118 132 A HN 0.545 nan 8.150 nan 0.000 0.400 133 N N 0.323 119.013 118.700 -0.017 0.000 2.478 133 N HA 0.520 5.260 4.740 0.001 0.000 0.291 133 N C -0.200 175.301 175.510 -0.014 0.000 1.090 133 N CA 0.405 53.449 53.050 -0.009 0.000 0.911 133 N CB 1.825 40.317 38.487 0.007 0.000 1.546 133 N HN 0.880 nan 8.380 nan 0.000 0.500 134 G N 1.989 110.782 108.800 -0.012 0.000 2.348 134 G HA2 0.483 4.444 3.960 0.001 0.000 0.312 134 G HA3 0.483 4.444 3.960 0.001 0.000 0.312 134 G C -0.913 173.997 174.900 0.017 0.000 1.126 134 G CA -0.322 44.775 45.100 -0.005 0.000 0.865 134 G HN 0.622 nan 8.290 nan 0.000 0.474 135 K N 1.083 121.503 120.400 0.034 0.000 2.542 135 K HA 0.486 4.807 4.320 0.001 0.000 0.259 135 K C -1.127 175.517 176.600 0.074 0.000 0.932 135 K CA -0.805 55.511 56.287 0.049 0.000 0.820 135 K CB 1.766 34.292 32.500 0.043 0.000 1.345 135 K HN 0.447 nan 8.250 nan 0.000 0.432 136 L N 0.053 121.316 121.223 0.066 0.000 2.334 136 L HA 0.833 5.174 4.340 0.001 0.000 0.272 136 L C -0.610 176.297 176.870 0.061 0.000 1.020 136 L CA -0.495 54.384 54.840 0.066 0.000 0.812 136 L CB 1.579 43.651 42.059 0.022 0.000 1.264 136 L HN 0.623 nan 8.230 nan 0.000 0.439 137 E N 0.103 120.346 120.200 0.071 0.000 2.390 137 E HA 0.794 5.144 4.350 0.001 0.000 0.280 137 E C -1.253 175.377 176.600 0.050 0.000 0.992 137 E CA 0.053 56.496 56.400 0.071 0.000 0.790 137 E CB 2.106 31.871 29.700 0.109 0.000 1.248 137 E HN 0.999 nan 8.360 nan 0.000 0.447 138 S N 2.043 117.761 115.700 0.031 0.000 3.070 138 S HA 0.894 5.364 4.470 0.001 0.000 0.320 138 S C -0.959 173.663 174.600 0.035 0.000 1.215 138 S CA -0.531 57.679 58.200 0.017 0.000 0.956 138 S CB 0.997 64.169 63.200 -0.047 0.000 1.337 138 S HN 0.745 nan 8.310 nan 0.000 0.639 139 R N -0.163 120.353 120.500 0.026 0.000 0.970 139 R HA 0.102 4.442 4.340 0.001 0.000 0.431 139 R C -1.299 175.029 176.300 0.047 0.000 1.364 139 R CA 0.666 56.783 56.100 0.028 0.000 1.167 139 R CB -1.376 28.933 30.300 0.014 0.000 3.395 139 R HN 1.881 nan 8.270 nan 0.000 0.514 140 L N 1.737 122.985 121.223 0.042 0.000 0.674 140 L HA -0.113 4.228 4.340 0.001 0.000 0.368 140 L C -0.964 175.942 176.870 0.059 0.000 1.003 140 L CA 0.923 55.787 54.840 0.040 0.000 1.214 140 L CB -0.461 41.615 42.059 0.029 0.000 0.502 140 L HN 0.769 nan 8.230 nan 0.000 0.301 141 V N 4.795 124.735 119.914 0.043 0.000 2.470 141 V HA 0.317 4.438 4.120 0.001 0.000 0.276 141 V C 0.783 176.880 176.094 0.006 0.000 1.040 141 V CA 1.402 63.733 62.300 0.052 0.000 1.008 141 V CB 1.092 32.938 31.823 0.038 0.000 0.990 141 V HN 0.845 nan 8.190 nan 0.000 0.477 142 D N 4.698 125.100 120.400 0.004 0.000 2.449 142 D HA 0.279 4.919 4.640 0.001 0.000 0.255 142 D C -0.552 175.448 176.300 -0.500 0.000 1.121 142 D CA 0.254 54.085 54.000 -0.282 0.000 0.830 142 D CB 0.415 40.940 40.800 -0.457 0.000 1.280 142 D HN 0.531 nan 8.370 nan 0.000 0.522 143 F N 0.397 120.344 119.950 -0.005 0.000 2.579 143 F HA 0.675 5.203 4.527 0.001 0.000 0.324 143 F C 0.218 176.000 175.800 -0.030 0.000 1.058 143 F CA -0.880 57.110 58.000 -0.016 0.000 0.944 143 F CB 1.747 40.740 39.000 -0.011 0.000 1.245 143 F HN -0.508 nan 8.300 nan 0.000 0.477 144 R N 0.582 121.164 120.500 0.138 0.000 2.664 144 R HA 0.385 4.725 4.340 0.001 0.000 0.266 144 R C -1.727 174.564 176.300 -0.015 0.000 1.046 144 R CA -1.184 54.938 56.100 0.036 0.000 0.885 144 R CB 2.777 33.060 30.300 -0.028 0.000 1.254 144 R HN 0.591 nan 8.270 nan 0.000 0.465 145 K N 1.307 121.682 120.400 -0.042 0.000 2.521 145 K HA 0.451 4.771 4.320 0.001 0.000 0.248 145 K C -0.707 175.890 176.600 -0.005 0.000 0.978 145 K CA -0.304 55.927 56.287 -0.093 0.000 0.947 145 K CB 2.004 34.365 32.500 -0.232 0.000 1.165 145 K HN 0.600 nan 8.250 nan 0.000 0.445 146 A N 3.452 126.262 122.820 -0.017 0.000 2.304 146 A HA 0.576 4.897 4.320 0.001 0.000 0.271 146 A C -0.454 177.307 177.584 0.294 0.000 1.091 146 A CA -0.492 51.542 52.037 -0.006 0.000 0.812 146 A CB 0.428 19.370 19.000 -0.097 0.000 1.056 146 A HN 0.801 nan 8.150 nan 0.000 0.489 147 I N -0.381 120.313 120.570 0.205 0.000 3.002 147 I HA 0.670 4.840 4.170 0.001 0.000 0.310 147 I C 0.373 176.537 176.117 0.079 0.000 1.087 147 I CA -0.878 60.553 61.300 0.219 0.000 1.017 147 I CB 2.024 40.098 38.000 0.124 0.000 1.226 147 I HN 0.760 nan 8.210 nan 0.000 0.443 148 A N 3.366 126.201 122.820 0.025 0.000 2.302 148 A HA 0.576 4.897 4.320 0.001 0.000 0.285 148 A C 0.191 177.767 177.584 -0.013 0.000 1.105 148 A CA 0.109 52.152 52.037 0.011 0.000 0.816 148 A CB 0.967 19.973 19.000 0.010 0.000 1.067 148 A HN 0.758 nan 8.150 nan 0.000 0.489 149 V N -0.873 119.040 119.914 -0.003 0.000 3.629 149 V HA 0.184 4.304 4.120 0.001 0.000 0.194 149 V C 1.503 177.591 176.094 -0.010 0.000 1.343 149 V CA 0.139 62.435 62.300 -0.007 0.000 1.292 149 V CB -0.929 30.901 31.823 0.011 0.000 1.287 149 V HN 0.618 nan 8.190 nan 0.000 0.554 150 I N 1.506 122.075 120.570 -0.002 0.000 2.546 150 I HA 0.042 4.213 4.170 0.001 0.000 0.255 150 I C -0.785 175.330 176.117 -0.003 0.000 1.163 150 I CA 0.764 62.062 61.300 -0.002 0.000 1.457 150 I CB -2.104 35.898 38.000 0.003 0.000 1.092 150 I HN 0.360 nan 8.210 nan 0.000 0.434 151 P HA -0.079 nan 4.420 nan 0.000 0.316 151 P C 0.081 177.375 177.300 -0.011 0.000 1.508 151 P CA 0.368 63.467 63.100 -0.002 0.000 0.741 151 P CB -0.703 30.999 31.700 0.002 0.000 1.593 152 N N -2.198 116.493 118.700 -0.014 0.000 1.870 152 N HA -0.233 4.508 4.740 0.001 0.000 0.135 152 N C -0.529 174.964 175.510 -0.029 0.000 0.856 152 N CA 0.239 53.277 53.050 -0.019 0.000 0.877 152 N CB -1.243 37.236 38.487 -0.014 0.000 0.915 152 N HN 0.012 nan 8.380 nan 0.000 0.658 153 L N 1.420 122.625 121.223 -0.030 0.000 2.584 153 L HA 0.068 4.409 4.340 0.001 0.000 0.272 153 L C 0.384 177.227 176.870 -0.045 0.000 1.195 153 L CA 0.421 55.237 54.840 -0.039 0.000 0.920 153 L CB -0.265 41.775 42.059 -0.031 0.000 1.173 153 L HN 0.369 nan 8.230 nan 0.000 0.489 167 I N 0.893 121.505 120.570 0.069 0.000 2.863 167 I HA 0.531 4.702 4.170 0.001 0.000 0.311 167 I C -0.242 175.951 176.117 0.127 0.000 1.026 167 I CA -0.914 60.437 61.300 0.084 0.000 1.077 167 I CB 1.117 39.154 38.000 0.062 0.000 1.262 167 I HN 0.323 nan 8.210 nan 0.000 0.461 168 N N 2.737 121.538 118.700 0.168 0.000 2.454 168 N HA -0.098 4.643 4.740 0.001 0.000 0.280 168 N C -1.025 174.576 175.510 0.153 0.000 1.515 168 N CA 0.660 53.850 53.050 0.233 0.000 0.892 168 N CB -0.656 38.011 38.487 0.300 0.000 0.892 168 N HN 0.896 nan 8.380 nan 0.000 0.475 169 A N 2.143 125.046 122.820 0.138 0.000 2.679 169 A HA 0.544 4.865 4.320 0.001 0.000 0.288 169 A C 0.890 178.522 177.584 0.079 0.000 1.160 169 A CA 0.575 52.666 52.037 0.090 0.000 0.763 169 A CB 1.067 20.111 19.000 0.072 0.000 1.270 169 A HN 0.732 nan 8.150 nan 0.000 0.417 170 Q N 2.021 121.858 119.800 0.062 0.000 1.868 170 Q HA -0.332 4.008 4.340 0.001 0.000 0.209 170 Q C 0.487 176.512 176.000 0.042 0.000 2.846 170 Q CA 2.510 58.337 55.803 0.041 0.000 0.366 170 Q CB -1.073 27.686 28.738 0.034 0.000 0.587 170 Q HN 1.008 nan 8.270 nan 0.000 0.453 171 N N 1.610 120.344 118.700 0.056 0.000 3.127 171 N HA -0.013 4.727 4.740 0.001 0.000 0.317 171 N C -0.080 175.487 175.510 0.094 0.000 1.242 171 N CA 1.268 54.354 53.050 0.061 0.000 1.203 171 N CB 0.632 39.156 38.487 0.062 0.000 1.462 171 N HN 0.511 nan 8.380 nan 0.000 0.546 172 E N -0.677 119.570 120.200 0.078 0.000 2.537 172 E HA 0.139 4.489 4.350 0.001 0.000 0.191 172 E C 1.179 177.646 176.600 -0.223 0.000 0.987 172 E CA -0.100 56.382 56.400 0.137 0.000 1.607 172 E CB 0.162 30.110 29.700 0.415 0.000 2.499 172 E HN 0.191 nan 8.360 nan 0.000 1.073 173 L N 1.425 122.516 121.223 -0.221 0.000 2.375 173 L HA 0.149 4.490 4.340 0.001 0.000 0.215 173 L C -1.821 174.894 176.870 -0.259 0.000 1.108 173 L CA -0.155 54.460 54.840 -0.376 0.000 0.830 173 L CB -0.646 41.276 42.059 -0.228 0.000 0.959 173 L HN -0.106 nan 8.230 nan 0.000 0.457 174 P HA 0.062 nan 4.420 nan 0.000 0.262 174 P C -2.374 174.886 177.300 -0.067 0.000 1.199 174 P CA -0.591 62.464 63.100 -0.075 0.000 0.763 174 P CB 0.154 31.842 31.700 -0.020 0.000 0.790 175 P HA 0.272 nan 4.420 nan 0.000 0.276 175 P C -0.307 177.049 177.300 0.094 0.000 1.252 175 P CA -0.427 62.686 63.100 0.021 0.000 0.802 175 P CB 0.726 32.474 31.700 0.080 0.000 1.035 176 I N 2.296 122.906 120.570 0.066 0.000 2.331 176 I HA 0.264 4.434 4.170 0.001 0.000 0.292 176 I C 0.625 176.751 176.117 0.016 0.000 0.998 176 I CA -0.464 60.858 61.300 0.036 0.000 1.267 176 I CB 0.744 38.701 38.000 -0.072 0.000 1.386 176 I HN 0.344 nan 8.210 nan 0.000 0.476 177 I N 7.132 127.692 120.570 -0.017 0.000 3.196 177 I HA 0.410 4.580 4.170 0.001 0.000 0.248 177 I C 0.721 176.739 176.117 -0.166 0.000 1.105 177 I CA 0.228 61.382 61.300 -0.244 0.000 1.482 177 I CB 0.556 38.381 38.000 -0.291 0.000 1.400 177 I HN 0.627 nan 8.210 nan 0.000 0.464 178 A N 0.586 123.373 122.820 -0.054 0.000 2.313 178 A HA 0.609 4.929 4.320 0.001 0.000 0.323 178 A C -0.636 176.986 177.584 0.063 0.000 1.133 178 A CA -0.343 51.684 52.037 -0.016 0.000 0.847 178 A CB 1.380 20.375 19.000 -0.008 0.000 1.308 178 A HN 0.379 nan 8.150 nan 0.000 0.475 179 Q N 0.829 120.672 119.800 0.072 0.000 3.761 179 Q HA 0.544 4.884 4.340 0.001 0.000 0.206 179 Q C -2.055 173.993 176.000 0.080 0.000 0.900 179 Q CA 0.134 56.025 55.803 0.146 0.000 0.737 179 Q CB 0.574 29.424 28.738 0.187 0.000 1.454 179 Q HN 0.757 nan 8.270 nan 0.000 0.448 180 L N 0.226 121.474 121.223 0.041 0.000 2.947 180 L HA 0.894 5.235 4.340 0.001 0.000 0.267 180 L C -1.798 175.068 176.870 -0.006 0.000 1.004 180 L CA -0.596 54.250 54.840 0.010 0.000 0.937 180 L CB 2.116 44.182 42.059 0.011 0.000 1.496 180 L HN 0.431 nan 8.230 nan 0.000 0.409 181 A N 0.624 123.435 122.820 -0.015 0.000 2.608 181 A HA 0.817 5.137 4.320 0.001 0.000 0.292 181 A C -2.576 174.999 177.584 -0.014 0.000 1.066 181 A CA -0.601 51.426 52.037 -0.017 0.000 0.676 181 A CB 1.130 20.110 19.000 -0.033 0.000 1.277 181 A HN 0.555 nan 8.150 nan 0.000 0.413 182 P HA 0.330 nan 4.420 nan 0.000 0.252 182 P C 0.737 178.038 177.300 0.002 0.000 1.211 182 P CA 1.186 64.283 63.100 -0.006 0.000 0.824 182 P CB 0.916 32.612 31.700 -0.008 0.000 1.077 183 G N -0.304 108.497 108.800 0.001 0.000 2.789 183 G HA2 -0.093 3.868 3.960 0.001 0.000 0.218 183 G HA3 -0.093 3.868 3.960 0.001 0.000 0.218 183 G C -0.178 174.723 174.900 0.002 0.000 0.980 183 G CA -0.282 44.821 45.100 0.005 0.000 0.848 183 G HN 0.435 nan 8.290 nan 0.000 0.591 204 A N 3.549 126.380 122.820 0.018 0.000 1.872 204 A HA 0.418 4.739 4.320 0.001 0.000 0.214 204 A C 0.862 178.456 177.584 0.015 0.000 1.187 204 A CA 1.448 53.494 52.037 0.015 0.000 0.614 204 A CB -0.795 18.213 19.000 0.013 0.000 0.826 204 A HN 1.365 nan 8.150 nan 0.000 0.442 205 D N -1.930 118.481 120.400 0.019 0.000 10.050 205 D HA -0.122 4.519 4.640 0.001 0.000 0.307 205 D C -0.514 175.792 176.300 0.010 0.000 2.837 205 D CA 0.676 54.688 54.000 0.019 0.000 2.563 205 D CB -0.483 40.332 40.800 0.024 0.000 1.087 205 D HN 0.397 nan 8.370 nan 0.000 0.825 206 V N 5.733 125.653 119.914 0.010 0.000 2.485 206 V HA 0.054 4.175 4.120 0.001 0.000 0.287 206 V C 2.167 178.249 176.094 -0.019 0.000 1.022 206 V CA 0.030 62.331 62.300 0.001 0.000 1.067 206 V CB 0.853 32.685 31.823 0.015 0.000 0.967 206 V HN 0.656 nan 8.190 nan 0.000 0.479 207 V N 4.648 124.546 119.914 -0.027 0.000 2.408 207 V HA -0.403 3.718 4.120 0.001 0.000 0.229 207 V C 1.628 177.689 176.094 -0.055 0.000 1.002 207 V CA 3.410 65.685 62.300 -0.043 0.000 1.104 207 V CB -1.176 30.612 31.823 -0.058 0.000 0.895 207 V HN 1.012 nan 8.190 nan 0.000 0.495 208 L N -5.950 115.216 121.223 -0.095 0.000 1.382 208 L HA 0.420 4.761 4.340 0.001 0.000 0.119 208 L C 0.410 177.162 176.870 -0.198 0.000 1.393 208 L CA 0.712 55.482 54.840 -0.117 0.000 1.170 208 L CB -0.407 41.593 42.059 -0.098 0.000 2.429 208 L HN 0.334 nan 8.230 nan 0.000 0.470 209 D N 0.508 120.708 120.400 -0.333 0.000 3.229 209 D HA -0.272 4.369 4.640 0.001 0.000 0.214 209 D C -0.915 174.991 176.300 -0.656 0.000 1.556 209 D CA 2.710 56.319 54.000 -0.651 0.000 1.086 209 D CB -0.870 39.718 40.800 -0.354 0.000 0.676 209 D HN 0.562 nan 8.370 nan 0.000 0.791 210 Y N -0.434 119.879 120.300 0.021 0.000 2.748 210 Y HA 0.548 5.099 4.550 0.001 0.000 0.359 210 Y C 0.175 176.071 175.900 -0.006 0.000 1.030 210 Y CA -0.449 57.654 58.100 0.004 0.000 1.169 210 Y CB 1.111 39.586 38.460 0.024 0.000 1.127 210 Y HN 0.186 nan 8.280 nan 0.000 0.644 211 E N 1.682 121.887 120.200 0.009 0.000 3.729 211 E HA 0.345 4.696 4.350 0.001 0.000 0.195 211 E C -1.502 175.026 176.600 -0.120 0.000 1.005 211 E CA -0.181 56.159 56.400 -0.100 0.000 1.356 211 E CB 0.006 29.599 29.700 -0.178 0.000 1.138 211 E HN 0.545 nan 8.360 nan 0.000 0.450 212 L N 0.663 121.838 121.223 -0.081 0.000 2.319 212 L HA 0.513 4.854 4.340 0.001 0.000 0.280 212 L C 0.412 177.246 176.870 -0.060 0.000 1.099 212 L CA 0.478 55.239 54.840 -0.132 0.000 0.828 212 L CB 1.022 43.017 42.059 -0.106 0.000 1.150 212 L HN 0.274 nan 8.230 nan 0.000 0.442 213 S N 1.855 117.537 115.700 -0.031 0.000 4.188 213 S HA -0.039 4.432 4.470 0.001 0.000 0.637 213 S C -0.372 174.407 174.600 0.298 0.000 1.190 213 S CA -0.288 57.996 58.200 0.141 0.000 1.489 213 S CB -0.778 62.471 63.200 0.082 0.000 0.337 213 S HN 0.643 nan 8.310 nan 0.000 1.553 214 F N -0.177 119.804 119.950 0.051 0.000 3.058 214 F HA -0.164 4.363 4.527 0.001 0.000 0.295 214 F C -0.523 175.294 175.800 0.028 0.000 0.875 214 F CA 0.950 58.953 58.000 0.006 0.000 1.150 214 F CB -1.120 37.872 39.000 -0.013 0.000 1.175 214 F HN 0.529 nan 8.300 nan 0.000 0.599 215 Y N 0.827 121.070 120.300 -0.094 0.000 2.409 215 Y HA 0.523 5.073 4.550 0.001 0.000 0.339 215 Y C 0.514 176.298 175.900 -0.193 0.000 1.033 215 Y CA -0.499 57.536 58.100 -0.108 0.000 1.094 215 Y CB 1.116 39.536 38.460 -0.067 0.000 1.210 215 Y HN 0.109 nan 8.280 nan 0.000 0.456 216 D N 0.058 120.310 120.400 -0.247 0.000 2.650 216 D HA 0.605 5.246 4.640 0.001 0.000 0.255 216 D C -1.221 174.938 176.300 -0.235 0.000 1.135 216 D CA -0.608 53.250 54.000 -0.237 0.000 1.099 216 D CB 1.592 42.233 40.800 -0.265 0.000 1.273 216 D HN 0.318 nan 8.370 nan 0.000 0.628 217 T N 0.676 115.100 114.554 -0.217 0.000 2.937 217 T HA 0.459 4.810 4.350 0.001 0.000 0.297 217 T C -1.323 173.293 174.700 -0.140 0.000 0.991 217 T CA -0.880 61.083 62.100 -0.229 0.000 0.990 217 T CB 1.421 70.105 68.868 -0.306 0.000 0.991 217 T HN 0.321 nan 8.240 nan 0.000 0.440 218 Q N 1.898 121.636 119.800 -0.104 0.000 2.394 218 Q HA 0.565 4.906 4.340 0.001 0.000 0.273 218 Q C -0.909 175.081 176.000 -0.017 0.000 1.089 218 Q CA -0.712 55.057 55.803 -0.058 0.000 0.812 218 Q CB 2.250 30.948 28.738 -0.066 0.000 1.353 218 Q HN 0.520 nan 8.270 nan 0.000 0.438 219 S N 1.268 116.969 115.700 0.003 0.000 2.549 219 S HA 0.485 4.956 4.470 0.001 0.000 0.279 219 S C 0.692 175.305 174.600 0.022 0.000 1.321 219 S CA 0.445 58.662 58.200 0.029 0.000 1.054 219 S CB 0.413 63.640 63.200 0.044 0.000 0.899 219 S HN 0.738 nan 8.310 nan 0.000 0.497 220 A N 5.721 128.561 122.820 0.034 0.000 1.861 220 A HA 0.496 4.817 4.320 0.001 0.000 0.214 220 A C 1.422 179.021 177.584 0.026 0.000 1.322 220 A CA 0.699 52.752 52.037 0.027 0.000 0.601 220 A CB -1.645 17.375 19.000 0.034 0.000 0.966 220 A HN 2.042 nan 8.150 nan 0.000 0.471 221 A N -0.394 122.446 122.820 0.033 0.000 1.594 221 A HA 0.065 4.386 4.320 0.001 0.000 0.309 221 A C 0.553 178.155 177.584 0.029 0.000 1.079 221 A CA 0.658 52.715 52.037 0.033 0.000 1.316 221 A CB -1.886 17.138 19.000 0.041 0.000 0.863 221 A HN 1.603 nan 8.150 nan 0.000 0.223 222 V N 4.344 124.274 119.914 0.028 0.000 2.953 222 V HA 0.074 4.195 4.120 0.001 0.000 0.304 222 V C 1.229 177.346 176.094 0.040 0.000 1.138 222 V CA 0.620 62.939 62.300 0.032 0.000 1.266 222 V CB 0.659 32.499 31.823 0.029 0.000 0.923 222 V HN 0.939 nan 8.190 nan 0.000 0.505 223 V N 6.386 126.333 119.914 0.056 0.000 2.752 223 V HA 0.328 4.448 4.120 0.001 0.000 0.306 223 V C 0.918 177.047 176.094 0.058 0.000 1.099 223 V CA 1.163 63.504 62.300 0.067 0.000 1.240 223 V CB -0.012 31.895 31.823 0.140 0.000 0.887 223 V HN 1.199 nan 8.190 nan 0.000 0.499 224 G N 3.850 112.680 108.800 0.050 0.000 2.667 224 G HA2 0.614 4.574 3.960 0.001 0.000 0.298 224 G HA3 0.614 4.574 3.960 0.001 0.000 0.298 224 G C -1.178 173.747 174.900 0.043 0.000 1.377 224 G CA -1.090 44.035 45.100 0.042 0.000 0.964 224 G HN 0.638 nan 8.290 nan 0.000 0.493 225 L N 1.977 123.223 121.223 0.039 0.000 2.453 225 L HA 0.253 4.594 4.340 0.001 0.000 0.272 225 L C 0.230 177.121 176.870 0.036 0.000 1.182 225 L CA -0.484 54.380 54.840 0.040 0.000 0.858 225 L CB 0.432 42.514 42.059 0.038 0.000 1.120 225 L HN 0.449 nan 8.230 nan 0.000 0.474 226 N N 1.487 120.210 118.700 0.039 0.000 3.002 226 N HA 0.486 5.226 4.740 0.001 0.000 0.331 226 N C -0.987 174.537 175.510 0.023 0.000 1.384 226 N CA -0.772 52.295 53.050 0.029 0.000 0.780 226 N CB 0.760 39.267 38.487 0.033 0.000 1.492 226 N HN 0.514 nan 8.380 nan 0.000 0.608 227 D N -0.269 120.131 120.400 0.001 0.000 10.852 227 D HA -0.159 4.482 4.640 0.001 0.000 0.361 227 D C 0.535 176.773 176.300 -0.104 0.000 3.101 227 D CA 0.581 54.561 54.000 -0.033 0.000 2.575 227 D CB 0.110 40.920 40.800 0.017 0.000 1.168 227 D HN 0.714 nan 8.370 nan 0.000 0.953 228 E N -0.943 119.101 120.200 -0.260 0.000 2.077 228 E HA -0.127 4.223 4.350 0.001 0.000 0.193 228 E C 1.107 177.426 176.600 -0.468 0.000 0.989 228 E CA 1.401 57.520 56.400 -0.470 0.000 0.800 228 E CB 0.128 29.353 29.700 -0.793 0.000 0.746 228 E HN 0.409 nan 8.360 nan 0.000 0.452 229 F N -0.467 119.503 119.950 0.033 0.000 2.480 229 F HA 0.203 4.731 4.527 0.001 0.000 0.212 229 F C 1.004 176.828 175.800 0.039 0.000 1.113 229 F CA -0.716 57.306 58.000 0.036 0.000 0.970 229 F CB 0.078 39.104 39.000 0.042 0.000 1.177 229 F HN -0.087 nan 8.300 nan 0.000 0.663 230 I N -1.453 119.299 120.570 0.304 0.000 2.944 230 I HA 0.504 4.674 4.170 0.001 0.000 0.330 230 I C -0.203 176.023 176.117 0.182 0.000 1.482 230 I CA -0.489 60.916 61.300 0.175 0.000 0.880 230 I CB 0.481 38.556 38.000 0.125 0.000 1.728 230 I HN 0.189 nan 8.210 nan 0.000 0.561 231 A N 1.279 124.215 122.820 0.194 0.000 3.181 231 A HA 0.881 5.201 4.320 0.001 0.000 0.293 231 A C 0.763 178.423 177.584 0.128 0.000 1.346 231 A CA 0.163 52.310 52.037 0.184 0.000 1.018 231 A CB -0.814 18.316 19.000 0.216 0.000 1.093 231 A HN 1.033 nan 8.150 nan 0.000 0.629 232 G N -1.800 107.066 108.800 0.110 0.000 2.321 232 G HA2 0.604 4.565 3.960 0.001 0.000 0.339 232 G HA3 0.604 4.565 3.960 0.001 0.000 0.339 232 G C -0.611 174.333 174.900 0.073 0.000 1.518 232 G CA -0.095 45.059 45.100 0.090 0.000 0.994 232 G HN 1.695 nan 8.290 nan 0.000 0.668 233 A N 0.408 123.270 122.820 0.071 0.000 5.650 233 A HA 1.038 5.359 4.320 0.001 0.000 0.194 233 A C -0.198 177.424 177.584 0.064 0.000 0.895 233 A CA 0.642 52.717 52.037 0.062 0.000 0.804 233 A CB 0.290 19.326 19.000 0.060 0.000 2.103 233 A HN 2.290 nan 8.150 nan 0.000 1.022 234 R N -1.813 118.724 120.500 0.062 0.000 0.959 234 R HA -0.101 4.240 4.340 0.001 0.000 0.432 234 R C -0.424 175.884 176.300 0.012 0.000 1.366 234 R CA 0.843 56.971 56.100 0.048 0.000 1.194 234 R CB -1.541 28.795 30.300 0.060 0.000 3.435 234 R HN 1.293 nan 8.270 nan 0.000 0.516 235 L N 0.257 121.447 121.223 -0.055 0.000 3.260 235 L HA 0.195 4.535 4.340 0.001 0.000 0.171 235 L C 1.716 178.524 176.870 -0.104 0.000 1.315 235 L CA 0.318 55.122 54.840 -0.060 0.000 0.886 235 L CB -0.167 41.860 42.059 -0.053 0.000 1.431 235 L HN 0.685 nan 8.230 nan 0.000 0.583 236 D N 0.429 120.692 120.400 -0.229 0.000 2.129 236 D HA -0.176 4.465 4.640 0.001 0.000 0.220 236 D C 0.429 176.617 176.300 -0.188 0.000 0.988 236 D CA 1.394 55.275 54.000 -0.199 0.000 0.904 236 D CB -0.156 40.511 40.800 -0.222 0.000 1.018 236 D HN 0.608 nan 8.370 nan 0.000 0.444 237 N N -0.252 118.248 118.700 -0.332 0.000 2.666 237 N HA -0.240 4.501 4.740 0.001 0.000 0.248 237 N C -0.571 174.972 175.510 0.056 0.000 1.118 237 N CA 0.401 53.422 53.050 -0.048 0.000 0.722 237 N CB -2.161 36.336 38.487 0.017 0.000 1.050 237 N HN 0.245 nan 8.380 nan 0.000 0.550 238 L N 0.156 121.382 121.223 0.005 0.000 2.395 238 L HA 0.245 4.586 4.340 0.001 0.000 0.268 238 L C 0.730 177.545 176.870 -0.091 0.000 1.223 238 L CA -0.524 54.308 54.840 -0.013 0.000 1.093 238 L CB -0.115 41.935 42.059 -0.015 0.000 1.349 238 L HN 0.298 nan 8.230 nan 0.000 0.427 239 L N 0.323 121.448 121.223 -0.164 0.000 4.988 239 L HA -0.307 4.034 4.340 0.001 0.000 0.439 239 L C 1.102 177.928 176.870 -0.072 0.000 1.080 239 L CA 1.222 55.874 54.840 -0.313 0.000 1.018 239 L CB -1.433 40.114 42.059 -0.852 0.000 1.945 239 L HN 0.668 nan 8.230 nan 0.000 0.782 240 S N -1.532 114.203 115.700 0.059 0.000 2.585 240 S HA 0.374 4.845 4.470 0.001 0.000 0.273 240 S C 1.547 176.375 174.600 0.381 0.000 1.339 240 S CA 0.158 58.498 58.200 0.233 0.000 1.028 240 S CB 1.023 64.361 63.200 0.229 0.000 0.906 240 S HN 1.406 nan 8.310 nan 0.000 0.528 241 C N 3.276 122.830 119.300 0.424 0.000 5.883 241 C HA -0.254 4.207 4.460 0.001 0.000 0.327 241 C C 1.438 176.405 174.990 -0.038 0.000 2.424 241 C CA 1.878 60.989 59.018 0.155 0.000 2.187 241 C CB -2.902 24.980 27.740 0.237 0.000 3.226 241 C HN 1.074 nan 8.230 nan 0.000 0.268 242 H N 1.945 121.017 119.070 0.003 0.000 2.457 242 H HA 0.397 4.953 4.556 0.001 0.000 0.294 242 H C 2.118 177.405 175.328 -0.069 0.000 1.064 242 H CA 2.049 58.065 56.048 -0.054 0.000 1.330 242 H CB -0.137 29.575 29.762 -0.084 0.000 1.395 242 H HN 0.960 nan 8.280 nan 0.000 0.541 243 A N -0.122 122.740 122.820 0.071 0.000 2.797 243 A HA 0.469 4.790 4.320 0.001 0.000 0.287 243 A C 1.585 179.141 177.584 -0.048 0.000 1.369 243 A CA 0.591 52.645 52.037 0.029 0.000 0.968 243 A CB -0.474 18.564 19.000 0.063 0.000 1.069 243 A HN 0.513 nan 8.150 nan 0.000 0.571 244 G N -1.245 107.423 108.800 -0.221 0.000 2.647 244 G HA2 0.123 4.083 3.960 0.001 0.000 0.212 244 G HA3 0.123 4.083 3.960 0.001 0.000 0.212 244 G C 1.050 175.694 174.900 -0.428 0.000 1.540 244 G CA 0.215 44.944 45.100 -0.618 0.000 0.608 244 G HN 0.238 nan 8.290 nan 0.000 1.094 245 L N 0.964 122.010 121.223 -0.296 0.000 2.141 245 L HA 0.133 4.474 4.340 0.001 0.000 0.209 245 L C 2.519 179.324 176.870 -0.109 0.000 1.094 245 L CA 1.394 56.110 54.840 -0.208 0.000 0.763 245 L CB -0.062 41.871 42.059 -0.210 0.000 0.908 245 L HN 0.322 nan 8.230 nan 0.000 0.437 246 E N 0.361 120.516 120.200 -0.074 0.000 2.152 246 E HA -0.194 4.157 4.350 0.001 0.000 0.192 246 E C 2.206 178.843 176.600 0.061 0.000 0.983 246 E CA 0.962 57.383 56.400 0.034 0.000 0.818 246 E CB 0.092 29.820 29.700 0.046 0.000 0.758 246 E HN 0.469 nan 8.360 nan 0.000 0.467 247 A N 0.642 123.434 122.820 -0.048 0.000 1.968 247 A HA -0.028 4.292 4.320 0.001 0.000 0.217 247 A C 1.905 179.442 177.584 -0.079 0.000 1.169 247 A CA 0.510 52.505 52.037 -0.070 0.000 0.638 247 A CB -0.266 18.646 19.000 -0.146 0.000 0.812 247 A HN 0.258 nan 8.150 nan 0.000 0.446 248 L N -0.494 120.661 121.223 -0.114 0.000 2.675 248 L HA 0.054 4.395 4.340 0.001 0.000 0.239 248 L C 1.324 178.189 176.870 -0.009 0.000 1.151 248 L CA -0.104 54.681 54.840 -0.092 0.000 0.905 248 L CB 0.117 42.088 42.059 -0.148 0.000 1.057 248 L HN 0.260 nan 8.230 nan 0.000 0.435 249 L N -1.482 119.780 121.223 0.064 0.000 2.730 249 L HA 0.156 4.497 4.340 0.001 0.000 0.236 249 L C 1.832 178.817 176.870 0.192 0.000 1.061 249 L CA 0.720 55.677 54.840 0.194 0.000 0.898 249 L CB -0.392 41.858 42.059 0.319 0.000 1.270 249 L HN 0.080 nan 8.230 nan 0.000 0.500 250 N N 0.301 119.042 118.700 0.069 0.000 2.512 250 N HA 0.001 4.741 4.740 0.001 0.000 0.183 250 N C 1.309 176.744 175.510 -0.125 0.000 1.073 250 N CA 1.054 54.003 53.050 -0.168 0.000 0.911 250 N CB 0.373 38.789 38.487 -0.118 0.000 0.964 250 N HN 0.309 nan 8.380 nan 0.000 0.447 251 A N -0.996 121.792 122.820 -0.052 0.000 2.431 251 A HA 0.257 4.578 4.320 0.001 0.000 0.239 251 A C 1.460 179.032 177.584 -0.019 0.000 1.230 251 A CA -0.067 51.944 52.037 -0.043 0.000 0.928 251 A CB 0.387 19.366 19.000 -0.035 0.000 1.006 251 A HN 0.086 nan 8.150 nan 0.000 0.520 252 E N 0.006 120.209 120.200 0.005 0.000 2.399 252 E HA 0.110 4.461 4.350 0.001 0.000 0.205 252 E C 1.106 177.733 176.600 0.044 0.000 0.906 252 E CA 0.444 56.861 56.400 0.027 0.000 0.998 252 E CB 0.208 29.932 29.700 0.040 0.000 1.002 252 E HN 0.436 nan 8.360 nan 0.000 0.501 253 G N 1.924 110.765 108.800 0.068 0.000 2.491 253 G HA2 0.033 3.994 3.960 0.001 0.000 0.242 253 G HA3 0.033 3.994 3.960 0.001 0.000 0.242 253 G C -0.145 174.770 174.900 0.025 0.000 1.266 253 G CA -0.338 44.821 45.100 0.097 0.000 0.844 253 G HN -0.128 nan 8.290 nan 0.000 0.571 254 D N 1.092 121.512 120.400 0.033 0.000 2.417 254 D HA 0.116 4.756 4.640 0.001 0.000 0.250 254 D C 0.303 176.593 176.300 -0.016 0.000 1.166 254 D CA 0.497 54.500 54.000 0.006 0.000 0.881 254 D CB 1.139 41.945 40.800 0.011 0.000 1.164 254 D HN 0.282 nan 8.370 nan 0.000 0.467 255 E N 2.054 122.236 120.200 -0.029 0.000 2.265 255 E HA 0.074 4.425 4.350 0.001 0.000 0.272 255 E C 0.976 177.555 176.600 -0.036 0.000 1.067 255 E CA 0.034 56.408 56.400 -0.044 0.000 0.900 255 E CB 0.371 30.044 29.700 -0.044 0.000 1.017 255 E HN 0.424 nan 8.360 nan 0.000 0.431 256 N N 1.489 120.164 118.700 -0.043 0.000 2.228 256 N HA -0.029 4.711 4.740 0.001 0.000 0.299 256 N C -0.158 175.324 175.510 -0.047 0.000 0.829 256 N CA 0.372 53.400 53.050 -0.037 0.000 0.772 256 N CB -0.181 38.291 38.487 -0.025 0.000 2.041 256 N HN 0.452 nan 8.380 nan 0.000 1.019 257 C N 1.121 120.386 119.300 -0.058 0.000 2.822 257 C HA 0.850 5.311 4.460 0.001 0.000 0.341 257 C C 0.536 175.476 174.990 -0.085 0.000 1.301 257 C CA -1.532 57.443 59.018 -0.073 0.000 1.706 257 C CB 0.979 28.677 27.740 -0.070 0.000 2.178 257 C HN 0.361 nan 8.230 nan 0.000 0.481 258 I N 1.091 121.596 120.570 -0.108 0.000 2.471 258 I HA 0.547 4.717 4.170 0.001 0.000 0.286 258 I C -0.717 175.408 176.117 0.014 0.000 1.079 258 I CA 0.012 61.262 61.300 -0.084 0.000 1.398 258 I CB -0.656 37.196 38.000 -0.245 0.000 1.403 258 I HN 0.676 nan 8.210 nan 0.000 0.530 259 L N 6.588 127.840 121.223 0.048 0.000 2.408 259 L HA 0.682 5.023 4.340 0.001 0.000 0.268 259 L C -0.616 176.344 176.870 0.149 0.000 0.986 259 L CA -0.929 53.947 54.840 0.061 0.000 0.820 259 L CB 2.231 44.118 42.059 -0.287 0.000 1.303 259 L HN 0.336 nan 8.230 nan 0.000 0.411 260 V N 1.534 121.605 119.914 0.261 0.000 2.487 260 V HA 0.287 4.408 4.120 0.001 0.000 0.298 260 V C -0.636 175.604 176.094 0.243 0.000 1.028 260 V CA -0.566 61.870 62.300 0.227 0.000 0.860 260 V CB 2.032 33.964 31.823 0.182 0.000 0.991 260 V HN 0.932 nan 8.190 nan 0.000 0.427 261 C N 4.780 124.193 119.300 0.189 0.000 2.258 261 C HA 0.636 5.097 4.460 0.001 0.000 0.321 261 C C 0.640 175.716 174.990 0.144 0.000 1.168 261 C CA -0.198 58.926 59.018 0.177 0.000 1.531 261 C CB -0.234 27.592 27.740 0.144 0.000 2.095 261 C HN 0.967 nan 8.230 nan 0.000 0.449 262 T N 5.425 120.066 114.554 0.144 0.000 2.929 262 T HA 0.377 4.727 4.350 0.001 0.000 0.331 262 T C -0.448 174.264 174.700 0.020 0.000 1.120 262 T CA -0.208 61.993 62.100 0.168 0.000 0.973 262 T CB -0.299 68.764 68.868 0.325 0.000 1.036 262 T HN 0.803 nan 8.240 nan 0.000 0.502 263 D N 4.036 124.417 120.400 -0.031 0.000 2.217 263 D HA 0.535 5.175 4.640 0.001 0.000 0.248 263 D C 0.088 176.311 176.300 -0.128 0.000 1.008 263 D CA 0.007 53.886 54.000 -0.201 0.000 0.914 263 D CB 1.580 42.352 40.800 -0.047 0.000 1.182 263 D HN 0.865 nan 8.370 nan 0.000 0.451 264 H N -1.760 117.404 119.070 0.156 0.000 2.950 264 H HA 0.616 5.173 4.556 0.001 0.000 0.272 264 H C -1.056 174.366 175.328 0.156 0.000 1.495 264 H CA -1.005 55.123 56.048 0.133 0.000 1.183 264 H CB 1.370 31.201 29.762 0.117 0.000 1.867 264 H HN 0.282 nan 8.280 nan 0.000 0.597 265 E N -0.944 119.458 120.200 0.336 0.000 2.392 265 E HA 0.433 4.784 4.350 0.001 0.000 0.269 265 E C -0.742 175.962 176.600 0.172 0.000 0.924 265 E CA -0.575 55.974 56.400 0.247 0.000 0.784 265 E CB 1.394 31.213 29.700 0.200 0.000 1.292 265 E HN 0.781 nan 8.360 nan 0.000 0.447 266 E N -0.131 120.150 120.200 0.136 0.000 4.289 266 E HA -0.191 4.159 4.350 0.001 0.000 0.375 266 E C 0.811 177.364 176.600 -0.079 0.000 0.624 266 E CA 0.905 57.349 56.400 0.072 0.000 1.443 266 E CB -1.346 28.416 29.700 0.103 0.000 1.807 266 E HN 0.322 nan 8.360 nan 0.000 0.378 267 V N -0.106 119.708 119.914 -0.167 0.000 2.332 267 V HA -0.218 3.902 4.120 0.001 0.000 0.248 267 V C 2.156 178.044 176.094 -0.343 0.000 1.055 267 V CA 2.329 64.458 62.300 -0.286 0.000 1.038 267 V CB -0.505 31.090 31.823 -0.379 0.000 0.651 267 V HN 0.489 nan 8.190 nan 0.000 0.450 268 G N -1.783 106.747 108.800 -0.449 0.000 3.094 268 G HA2 0.025 3.985 3.960 0.001 0.000 0.208 268 G HA3 0.025 3.985 3.960 0.001 0.000 0.208 268 G C 1.313 176.011 174.900 -0.335 0.000 1.189 268 G CA 1.061 45.942 45.100 -0.365 0.000 0.856 268 G HN 0.491 nan 8.290 nan 0.000 0.510 269 S N -2.538 113.004 115.700 -0.263 0.000 3.792 269 S HA 0.074 4.544 4.470 0.001 0.000 0.229 269 S C 1.206 175.728 174.600 -0.130 0.000 1.118 269 S CA 1.050 59.123 58.200 -0.211 0.000 0.877 269 S CB 0.221 63.304 63.200 -0.194 0.000 1.077 269 S HN 0.329 nan 8.310 nan 0.000 0.546 270 C N -0.529 118.699 119.300 -0.119 0.000 4.921 270 C HA 0.511 4.972 4.460 0.001 0.000 0.477 270 C C 1.272 176.146 174.990 -0.193 0.000 1.492 270 C CA 0.994 59.912 59.018 -0.166 0.000 2.292 270 C CB -0.247 27.380 27.740 -0.187 0.000 3.214 270 C HN 0.710 nan 8.230 nan 0.000 0.562 271 S N -0.561 115.071 115.700 -0.113 0.000 1.352 271 S HA -0.258 4.213 4.470 0.001 0.000 0.248 271 S C 0.653 175.247 174.600 -0.009 0.000 0.649 271 S CA 1.712 59.860 58.200 -0.088 0.000 1.126 271 S CB -1.504 61.627 63.200 -0.115 0.000 1.240 271 S HN 0.872 nan 8.310 nan 0.000 0.498 272 H N -0.140 118.916 119.070 -0.023 0.000 1.452 272 H HA -0.354 4.203 4.556 0.001 0.000 0.090 272 H C 1.142 176.449 175.328 -0.035 0.000 0.966 272 H CA 1.798 57.837 56.048 -0.015 0.000 1.901 272 H CB -0.734 29.029 29.762 0.001 0.000 2.257 272 H HN 0.746 nan 8.280 nan 0.000 0.961 273 C N 1.424 120.810 119.300 0.143 0.000 2.520 273 C HA 0.376 4.837 4.460 0.001 0.000 0.369 273 C C 1.522 176.509 174.990 -0.005 0.000 1.244 273 C CA 1.095 60.128 59.018 0.025 0.000 1.677 273 C CB -1.291 26.450 27.740 0.002 0.000 2.324 273 C HN 0.812 nan 8.230 nan 0.000 0.557 274 G N 4.082 112.827 108.800 -0.091 0.000 2.697 274 G HA2 -0.105 3.855 3.960 0.001 0.000 0.200 274 G HA3 -0.105 3.855 3.960 0.001 0.000 0.200 274 G C 0.836 175.591 174.900 -0.243 0.000 1.106 274 G CA 0.135 45.167 45.100 -0.114 0.000 0.748 274 G HN 1.370 nan 8.290 nan 0.000 0.503 275 A N -0.345 122.337 122.820 -0.229 0.000 2.343 275 A HA 0.583 4.903 4.320 0.001 0.000 0.223 275 A C 0.551 178.081 177.584 -0.090 0.000 1.214 275 A CA 1.630 53.401 52.037 -0.444 0.000 0.900 275 A CB 0.296 19.009 19.000 -0.479 0.000 0.942 275 A HN 0.629 nan 8.150 nan 0.000 0.507 276 D N -0.694 119.689 120.400 -0.029 0.000 2.472 276 D HA 0.443 5.083 4.640 0.001 0.000 0.248 276 D C -0.045 176.315 176.300 0.100 0.000 1.271 276 D CA 0.847 54.937 54.000 0.151 0.000 0.888 276 D CB 0.050 40.879 40.800 0.050 0.000 1.337 276 D HN 0.819 nan 8.370 nan 0.000 0.526 277 G N 3.109 111.979 108.800 0.117 0.000 2.981 277 G HA2 -0.073 3.887 3.960 0.001 0.000 0.686 277 G HA3 -0.073 3.887 3.960 0.001 0.000 0.686 277 G C -2.844 172.014 174.900 -0.069 0.000 1.068 277 G CA -0.854 44.286 45.100 0.067 0.000 0.806 277 G HN 0.371 nan 8.290 nan 0.000 0.568 278 P HA 0.550 nan 4.420 nan 0.000 0.297 278 P C 0.376 177.627 177.300 -0.081 0.000 1.331 278 P CA -0.813 62.276 63.100 -0.019 0.000 0.803 278 P CB 0.630 32.320 31.700 -0.017 0.000 0.929 279 F N 1.238 121.213 119.950 0.042 0.000 2.558 279 F HA 0.036 4.563 4.527 0.001 0.000 0.298 279 F C 1.085 176.918 175.800 0.056 0.000 1.119 279 F CA 0.321 58.356 58.000 0.057 0.000 1.451 279 F CB -0.305 38.739 39.000 0.074 0.000 1.091 279 F HN 0.143 nan 8.300 nan 0.000 0.563 280 L N 0.463 121.799 121.223 0.188 0.000 2.483 280 L HA 0.000 4.341 4.340 0.001 0.000 0.276 280 L C 1.276 178.116 176.870 -0.050 0.000 1.213 280 L CA 0.450 55.291 54.840 0.001 0.000 0.843 280 L CB -0.035 41.946 42.059 -0.129 0.000 1.107 280 L HN 0.246 nan 8.230 nan 0.000 0.487 281 E N -0.506 119.627 120.200 -0.111 0.000 4.976 281 E HA -0.396 3.955 4.350 0.001 0.000 0.222 281 E C 1.492 178.081 176.600 -0.018 0.000 0.944 281 E CA 1.882 58.239 56.400 -0.071 0.000 1.778 281 E CB -0.695 28.959 29.700 -0.077 0.000 1.790 281 E HN 0.847 nan 8.360 nan 0.000 0.404 282 Q N 0.234 120.037 119.800 0.005 0.000 2.167 282 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 282 Q C 2.153 178.185 176.000 0.053 0.000 0.970 282 Q CA 1.859 57.678 55.803 0.026 0.000 0.855 282 Q CB 0.263 29.017 28.738 0.026 0.000 0.911 282 Q HN 0.279 nan 8.270 nan 0.000 0.438 283 V N -0.254 119.692 119.914 0.053 0.000 2.521 283 V HA 0.001 4.122 4.120 0.001 0.000 0.239 283 V C 0.720 176.826 176.094 0.020 0.000 1.053 283 V CA 0.370 62.659 62.300 -0.018 0.000 1.073 283 V CB 0.177 31.922 31.823 -0.129 0.000 0.746 283 V HN 0.261 nan 8.190 nan 0.000 0.476 284 L N 2.202 123.475 121.223 0.084 0.000 2.352 284 L HA 0.408 4.749 4.340 0.001 0.000 0.272 284 L C 0.801 177.709 176.870 0.063 0.000 1.109 284 L CA 0.683 55.620 54.840 0.163 0.000 0.952 284 L CB 0.118 42.329 42.059 0.253 0.000 1.314 284 L HN 0.219 nan 8.230 nan 0.000 0.427 285 R N 2.078 122.629 120.500 0.086 0.000 2.508 285 R HA 0.256 4.596 4.340 0.001 0.000 0.300 285 R C -0.412 175.915 176.300 0.044 0.000 0.970 285 R CA -0.246 55.874 56.100 0.033 0.000 1.102 285 R CB 0.549 30.857 30.300 0.013 0.000 1.246 285 R HN 0.398 nan 8.270 nan 0.000 0.539 286 R N 0.187 120.742 120.500 0.092 0.000 2.534 286 R HA 0.412 4.752 4.340 0.001 0.000 0.301 286 R C -0.805 175.543 176.300 0.081 0.000 0.961 286 R CA -0.684 55.467 56.100 0.085 0.000 0.871 286 R CB 1.368 31.739 30.300 0.118 0.000 1.170 286 R HN 0.021 nan 8.270 nan 0.000 0.446 287 L N 4.211 125.465 121.223 0.051 0.000 3.092 287 L HA -0.237 4.104 4.340 0.001 0.000 0.617 287 L C -0.740 176.158 176.870 0.047 0.000 1.006 287 L CA 0.130 54.996 54.840 0.044 0.000 1.302 287 L CB -0.552 41.535 42.059 0.046 0.000 1.573 287 L HN 0.700 nan 8.230 nan 0.000 0.771 288 L N 2.510 123.751 121.223 0.030 0.000 0.735 288 L HA -0.124 4.216 4.340 0.001 0.000 0.364 288 L C -1.129 175.752 176.870 0.018 0.000 1.004 288 L CA 0.429 55.284 54.840 0.025 0.000 1.222 288 L CB -0.114 41.966 42.059 0.035 0.000 0.325 288 L HN 0.477 nan 8.230 nan 0.000 0.197 289 P HA -0.092 nan 4.420 nan 0.000 0.200 289 P C 0.354 177.626 177.300 -0.045 0.000 1.007 289 P CA 1.373 64.458 63.100 -0.025 0.000 0.916 289 P CB 0.301 31.985 31.700 -0.027 0.000 0.696 290 E N -1.699 118.476 120.200 -0.042 0.000 3.254 290 E HA 0.234 4.585 4.350 0.001 0.000 0.184 290 E C 1.180 177.783 176.600 0.006 0.000 0.967 290 E CA 0.026 56.392 56.400 -0.057 0.000 1.311 290 E CB 0.449 30.078 29.700 -0.119 0.000 1.071 290 E HN 0.283 nan 8.360 nan 0.000 0.456 291 G N 0.798 109.614 108.800 0.026 0.000 2.557 291 G HA2 -0.081 3.879 3.960 0.001 0.000 0.213 291 G HA3 -0.081 3.879 3.960 0.001 0.000 0.213 291 G C 0.944 175.881 174.900 0.063 0.000 1.221 291 G CA 0.409 45.531 45.100 0.038 0.000 0.832 291 G HN 0.022 nan 8.290 nan 0.000 0.556 292 D N 0.141 120.582 120.400 0.068 0.000 2.469 292 D HA 0.349 4.990 4.640 0.001 0.000 0.215 292 D C 2.131 178.499 176.300 0.113 0.000 1.154 292 D CA 0.394 54.443 54.000 0.082 0.000 0.832 292 D CB 0.996 41.831 40.800 0.057 0.000 1.008 292 D HN 0.244 nan 8.370 nan 0.000 0.506 293 A N 0.518 123.418 122.820 0.133 0.000 1.873 293 A HA -0.046 4.274 4.320 0.001 0.000 0.215 293 A C 1.094 178.879 177.584 0.336 0.000 1.186 293 A CA 0.834 52.983 52.037 0.186 0.000 0.616 293 A CB -0.212 18.874 19.000 0.142 0.000 0.823 293 A HN 0.044 nan 8.150 nan 0.000 0.442 294 F N -0.732 119.259 119.950 0.069 0.000 2.139 294 F HA 0.413 4.940 4.527 0.001 0.000 0.273 294 F C 2.072 177.905 175.800 0.056 0.000 1.058 294 F CA -0.464 57.577 58.000 0.069 0.000 1.149 294 F CB -0.010 39.021 39.000 0.051 0.000 1.739 294 F HN 0.346 nan 8.300 nan 0.000 0.536 295 S N -0.008 115.769 115.700 0.127 0.000 4.148 295 S HA -0.400 4.070 4.470 0.001 0.000 0.515 295 S C 1.872 176.479 174.600 0.011 0.000 1.828 295 S CA 1.994 60.219 58.200 0.043 0.000 4.202 295 S CB -1.057 62.190 63.200 0.079 0.000 0.562 295 S HN 0.635 nan 8.310 nan 0.000 0.454 296 R N 1.521 122.047 120.500 0.044 0.000 2.091 296 R HA -0.023 4.317 4.340 0.001 0.000 0.238 296 R C 2.599 178.912 176.300 0.022 0.000 1.136 296 R CA 1.628 57.747 56.100 0.031 0.000 0.959 296 R CB -0.470 29.856 30.300 0.042 0.000 0.856 296 R HN 0.598 nan 8.270 nan 0.000 0.437 297 A N 1.433 124.282 122.820 0.047 0.000 1.874 297 A HA -0.071 4.250 4.320 0.001 0.000 0.214 297 A C 2.185 179.790 177.584 0.035 0.000 1.189 297 A CA 1.096 53.171 52.037 0.063 0.000 0.615 297 A CB -0.450 18.648 19.000 0.162 0.000 0.830 297 A HN 0.411 nan 8.150 nan 0.000 0.443 298 I N -3.533 116.990 120.570 -0.079 0.000 2.676 298 I HA -0.126 4.045 4.170 0.001 0.000 0.259 298 I C 1.828 177.876 176.117 -0.114 0.000 1.194 298 I CA 1.186 62.377 61.300 -0.181 0.000 1.473 298 I CB -0.343 37.339 38.000 -0.530 0.000 1.096 298 I HN 0.091 nan 8.210 nan 0.000 0.443 299 Q N 0.945 120.697 119.800 -0.080 0.000 2.389 299 Q HA 0.061 4.402 4.340 0.001 0.000 0.204 299 Q C 1.870 177.842 176.000 -0.046 0.000 0.944 299 Q CA 0.613 56.380 55.803 -0.059 0.000 0.908 299 Q CB -0.110 28.603 28.738 -0.042 0.000 1.002 299 Q HN 0.471 nan 8.270 nan 0.000 0.493 300 R N 0.291 120.773 120.500 -0.029 0.000 2.317 300 R HA 0.205 4.545 4.340 0.001 0.000 0.208 300 R C 0.018 176.310 176.300 -0.012 0.000 0.914 300 R CA 0.056 56.141 56.100 -0.025 0.000 1.060 300 R CB 0.450 30.740 30.300 -0.016 0.000 1.015 300 R HN 0.028 nan 8.270 nan 0.000 0.498 301 S N -0.067 115.634 115.700 0.003 0.000 2.730 301 S HA 0.527 4.997 4.470 0.001 0.000 0.284 301 S C -0.486 174.131 174.600 0.028 0.000 1.153 301 S CA -0.536 57.697 58.200 0.056 0.000 0.995 301 S CB 1.910 65.172 63.200 0.104 0.000 1.058 301 S HN 0.210 nan 8.310 nan 0.000 0.552 302 L N 2.142 123.426 121.223 0.101 0.000 2.611 302 L HA 0.480 4.820 4.340 0.001 0.000 0.263 302 L C -1.601 175.362 176.870 0.154 0.000 0.969 302 L CA -0.569 54.332 54.840 0.103 0.000 0.894 302 L CB 1.229 43.379 42.059 0.153 0.000 1.229 302 L HN 0.545 nan 8.230 nan 0.000 0.416 303 L N 5.691 126.925 121.223 0.018 0.000 2.350 303 L HA 0.723 5.064 4.340 0.001 0.000 0.275 303 L C -1.016 175.757 176.870 -0.162 0.000 1.099 303 L CA 0.115 54.934 54.840 -0.035 0.000 0.808 303 L CB 1.665 43.669 42.059 -0.092 0.000 1.149 303 L HN 0.339 nan 8.230 nan 0.000 0.442 304 V N 3.385 123.156 119.914 -0.239 0.000 2.656 304 V HA 0.633 4.754 4.120 0.001 0.000 0.307 304 V C -0.439 175.490 176.094 -0.277 0.000 1.051 304 V CA -0.529 61.520 62.300 -0.418 0.000 0.893 304 V CB 1.996 33.331 31.823 -0.812 0.000 0.999 304 V HN 0.923 nan 8.190 nan 0.000 0.426 305 S N 2.448 117.989 115.700 -0.266 0.000 2.454 305 S HA 0.816 5.286 4.470 0.001 0.000 0.306 305 S C -0.137 174.353 174.600 -0.182 0.000 1.100 305 S CA -0.445 57.649 58.200 -0.177 0.000 1.087 305 S CB 1.825 64.936 63.200 -0.148 0.000 1.019 305 S HN 1.237 nan 8.310 nan 0.000 0.480 306 A N 2.556 125.306 122.820 -0.116 0.000 2.838 306 A HA 0.535 4.856 4.320 0.001 0.000 0.337 306 A C -0.035 177.423 177.584 -0.210 0.000 1.383 306 A CA -0.575 51.440 52.037 -0.037 0.000 0.985 306 A CB -0.329 18.750 19.000 0.132 0.000 1.157 306 A HN 0.864 nan 8.150 nan 0.000 0.497 307 D N 1.032 121.271 120.400 -0.269 0.000 2.446 307 D HA 0.368 5.009 4.640 0.001 0.000 0.288 307 D C -0.360 175.643 176.300 -0.495 0.000 1.195 307 D CA -0.103 53.674 54.000 -0.373 0.000 1.095 307 D CB 0.558 41.200 40.800 -0.264 0.000 1.153 307 D HN 0.383 nan 8.370 nan 0.000 0.568 308 N N -0.654 117.840 118.700 -0.343 0.000 2.549 308 N HA 0.587 5.327 4.740 0.001 0.000 0.281 308 N C -1.381 173.942 175.510 -0.312 0.000 1.084 308 N CA -0.501 52.385 53.050 -0.273 0.000 0.862 308 N CB 1.957 40.308 38.487 -0.226 0.000 1.333 308 N HN 0.418 nan 8.380 nan 0.000 0.523 309 A N 1.273 123.949 122.820 -0.240 0.000 2.304 309 A HA 0.325 4.645 4.320 0.001 0.000 0.271 309 A C 0.495 177.868 177.584 -0.352 0.000 1.091 309 A CA -0.126 51.740 52.037 -0.285 0.000 0.812 309 A CB 0.389 19.310 19.000 -0.132 0.000 1.056 309 A HN 0.741 nan 8.150 nan 0.000 0.489 310 H N 1.177 120.134 119.070 -0.189 0.000 2.284 310 H HA 0.299 4.856 4.556 0.002 0.000 0.314 310 H C 1.357 176.612 175.328 -0.122 0.000 1.058 310 H CA 1.215 57.021 56.048 -0.404 0.000 1.394 310 H CB -0.483 28.847 29.762 -0.720 0.000 1.431 310 H HN 1.335 nan 8.280 nan 0.000 0.537 311 G N 0.723 109.584 108.800 0.101 0.000 2.767 311 G HA2 -0.184 3.776 3.960 0.001 0.000 0.686 311 G HA3 -0.184 3.776 3.960 0.001 0.000 0.686 311 G C 0.001 175.186 174.900 0.474 0.000 1.213 311 G CA -0.134 45.025 45.100 0.099 0.000 0.803 311 G HN 0.546 nan 8.290 nan 0.000 0.603 312 V N 0.547 120.738 119.914 0.461 0.000 2.583 312 V HA 0.201 4.321 4.120 0.001 0.000 0.302 312 V C 1.090 177.494 176.094 0.517 0.000 1.033 312 V CA 0.110 62.775 62.300 0.609 0.000 1.194 312 V CB 0.666 32.726 31.823 0.395 0.000 0.879 312 V HN 1.013 nan 8.190 nan 0.000 0.482 313 H N 8.830 128.167 119.070 0.445 0.000 2.690 313 H HA 0.292 4.849 4.556 0.002 0.000 0.314 313 H C -1.558 173.848 175.328 0.129 0.000 1.069 313 H CA -1.911 54.270 56.048 0.221 0.000 1.436 313 H CB 2.184 31.937 29.762 -0.016 0.000 1.462 313 H HN 0.534 nan 8.280 nan 0.000 0.511 314 P HA -0.112 nan 4.420 nan 0.000 0.223 314 P C 0.461 177.827 177.300 0.110 0.000 1.144 314 P CA 1.071 64.249 63.100 0.131 0.000 0.783 314 P CB 0.706 32.440 31.700 0.057 0.000 0.771 315 N N -1.542 117.266 118.700 0.179 0.000 2.463 315 N HA 0.005 4.746 4.740 0.001 0.000 0.183 315 N C 0.114 175.373 175.510 -0.418 0.000 1.064 315 N CA 0.400 53.330 53.050 -0.201 0.000 0.879 315 N CB 0.097 38.334 38.487 -0.416 0.000 1.148 315 N HN 0.242 nan 8.380 nan 0.000 0.451 316 Y N 1.088 121.329 120.300 -0.099 0.000 2.793 316 Y HA 0.459 5.009 4.550 -0.000 0.000 0.374 316 Y C 1.233 177.144 175.900 0.020 0.000 1.135 316 Y CA -0.680 57.339 58.100 -0.135 0.000 1.451 316 Y CB 0.322 38.574 38.460 -0.348 0.000 1.541 316 Y HN 0.014 nan 8.280 nan 0.000 0.546 317 A N 0.222 123.122 122.820 0.133 0.000 2.015 317 A HA -0.140 4.180 4.320 0.001 0.000 0.219 317 A C 1.513 179.174 177.584 0.129 0.000 1.163 317 A CA 1.444 53.568 52.037 0.145 0.000 0.646 317 A CB -0.234 18.818 19.000 0.087 0.000 0.806 317 A HN 0.609 nan 8.150 nan 0.000 0.448 318 D N -1.460 118.997 120.400 0.095 0.000 2.690 318 D HA 0.070 4.710 4.640 0.001 0.000 0.236 318 D C 0.621 176.954 176.300 0.055 0.000 1.218 318 D CA -0.179 53.863 54.000 0.071 0.000 0.829 318 D CB 0.003 40.831 40.800 0.047 0.000 1.009 318 D HN 0.203 nan 8.370 nan 0.000 0.482 319 R N -0.327 120.202 120.500 0.048 0.000 2.509 319 R HA 0.216 4.556 4.340 0.001 0.000 0.297 319 R C -0.081 176.105 176.300 -0.191 0.000 0.951 319 R CA -0.090 55.966 56.100 -0.074 0.000 1.103 319 R CB 0.442 30.675 30.300 -0.111 0.000 1.283 319 R HN 0.374 nan 8.270 nan 0.000 0.534 320 H N -0.180 118.990 119.070 0.166 0.000 2.906 320 H HA 0.338 4.895 4.556 0.002 0.000 0.337 320 H C -0.814 174.601 175.328 0.144 0.000 1.257 320 H CA -0.939 55.221 56.048 0.187 0.000 1.192 320 H CB 1.970 31.872 29.762 0.234 0.000 1.912 320 H HN -0.032 nan 8.280 nan 0.000 0.573 321 D N 0.237 120.829 120.400 0.320 0.000 2.947 321 D HA 0.394 5.035 4.640 0.001 0.000 0.224 321 D C 0.479 176.825 176.300 0.075 0.000 1.230 321 D CA -0.068 54.021 54.000 0.149 0.000 0.871 321 D CB 2.078 42.944 40.800 0.110 0.000 1.671 321 D HN 0.835 nan 8.370 nan 0.000 0.507 322 A N 3.546 126.366 122.820 0.001 0.000 4.404 322 A HA -0.397 3.924 4.320 0.001 0.000 0.367 322 A C 0.368 177.966 177.584 0.024 0.000 1.591 322 A CA 2.224 54.239 52.037 -0.036 0.000 0.807 322 A CB -2.629 16.328 19.000 -0.071 0.000 1.524 322 A HN 0.987 nan 8.150 nan 0.000 0.540 323 N N 2.334 121.052 118.700 0.031 0.000 2.452 323 N HA 0.471 5.212 4.740 0.001 0.000 0.266 323 N C -0.072 175.591 175.510 0.256 0.000 1.175 323 N CA 0.922 54.058 53.050 0.144 0.000 0.945 323 N CB 0.203 38.706 38.487 0.027 0.000 1.063 323 N HN 1.063 nan 8.380 nan 0.000 0.472 324 H N -0.402 118.670 119.070 0.002 0.000 4.439 324 H HA 0.801 5.357 4.556 0.001 0.000 0.333 324 H C -0.125 175.149 175.328 -0.090 0.000 1.354 324 H CA -1.301 54.687 56.048 -0.100 0.000 0.910 324 H CB 0.617 30.348 29.762 -0.052 0.000 1.131 324 H HN 0.594 nan 8.280 nan 0.000 0.641 325 G N 1.449 110.018 108.800 -0.385 0.000 3.112 325 G HA2 0.115 4.075 3.960 0.001 0.000 0.234 325 G HA3 0.115 4.075 3.960 0.001 0.000 0.234 325 G C -3.338 171.476 174.900 -0.144 0.000 3.847 325 G CA -0.507 44.410 45.100 -0.306 0.000 0.449 325 G HN 0.447 nan 8.290 nan 0.000 0.332 326 P HA 0.451 nan 4.420 nan 0.000 0.272 326 P C 0.797 178.108 177.300 0.019 0.000 1.230 326 P CA 0.158 63.268 63.100 0.016 0.000 0.788 326 P CB 0.993 32.718 31.700 0.041 0.000 0.949 327 A N 1.826 124.685 122.820 0.065 0.000 2.429 327 A HA 0.242 4.562 4.320 0.001 0.000 0.242 327 A C 0.502 178.130 177.584 0.075 0.000 1.088 327 A CA 0.021 52.105 52.037 0.078 0.000 0.784 327 A CB -1.054 18.003 19.000 0.096 0.000 1.038 327 A HN 0.568 nan 8.150 nan 0.000 0.501 328 L N -0.328 120.964 121.223 0.115 0.000 3.754 328 L HA -0.166 4.174 4.340 0.001 0.000 0.410 328 L C -0.306 176.639 176.870 0.125 0.000 1.230 328 L CA 0.894 55.824 54.840 0.151 0.000 0.901 328 L CB -2.269 39.843 42.059 0.088 0.000 1.982 328 L HN 0.825 nan 8.230 nan 0.000 0.822 329 N N -1.028 117.741 118.700 0.115 0.000 2.525 329 N HA 0.717 5.458 4.740 0.001 0.000 0.270 329 N C 0.380 175.877 175.510 -0.022 0.000 1.321 329 N CA -0.002 53.020 53.050 -0.046 0.000 0.797 329 N CB 1.488 39.916 38.487 -0.098 0.000 1.529 329 N HN 0.110 nan 8.380 nan 0.000 0.491 330 G N -0.962 107.676 108.800 -0.270 0.000 2.684 330 G HA2 0.353 4.313 3.960 0.001 0.000 0.255 330 G HA3 0.353 4.313 3.960 0.001 0.000 0.255 330 G C 0.358 175.254 174.900 -0.007 0.000 1.219 330 G CA -0.303 44.723 45.100 -0.123 0.000 0.901 330 G HN 0.466 nan 8.290 nan 0.000 0.548 331 G N 0.486 109.322 108.800 0.059 0.000 2.298 331 G HA2 0.427 4.388 3.960 0.001 0.000 0.263 331 G HA3 0.427 4.388 3.960 0.001 0.000 0.263 331 G C -2.436 172.515 174.900 0.086 0.000 1.229 331 G CA -0.479 44.682 45.100 0.102 0.000 0.976 331 G HN 0.418 nan 8.290 nan 0.000 0.459 332 P HA 0.156 nan 4.420 nan 0.000 0.276 332 P C 0.038 177.380 177.300 0.070 0.000 1.235 332 P CA -0.485 62.638 63.100 0.038 0.000 0.772 332 P CB 1.364 33.065 31.700 0.000 0.000 0.871 333 V N 5.725 125.698 119.914 0.098 0.000 2.381 333 V HA 0.065 4.185 4.120 0.001 0.000 0.257 333 V C 0.707 176.862 176.094 0.102 0.000 1.057 333 V CA 0.037 62.405 62.300 0.113 0.000 1.013 333 V CB -0.885 31.024 31.823 0.143 0.000 1.069 333 V HN 0.384 nan 8.190 nan 0.000 0.484 334 I N 5.587 126.203 120.570 0.076 0.000 2.379 334 I HA 0.296 4.466 4.170 0.001 0.000 0.290 334 I C 0.410 176.600 176.117 0.123 0.000 1.063 334 I CA 0.121 61.477 61.300 0.094 0.000 1.351 334 I CB 0.239 38.301 38.000 0.103 0.000 1.410 334 I HN 0.474 nan 8.210 nan 0.000 0.505 335 K N 7.924 128.369 120.400 0.074 0.000 2.559 335 K HA 0.664 4.985 4.320 0.001 0.000 0.249 335 K C -1.058 175.483 176.600 -0.098 0.000 0.958 335 K CA -0.304 56.017 56.287 0.057 0.000 0.901 335 K CB 1.713 34.303 32.500 0.150 0.000 1.124 335 K HN 0.515 nan 8.250 nan 0.000 0.437 336 I N 2.353 122.777 120.570 -0.242 0.000 2.647 336 I HA 0.256 4.426 4.170 0.001 0.000 0.295 336 I C 0.448 176.409 176.117 -0.261 0.000 1.078 336 I CA -0.601 60.458 61.300 -0.402 0.000 1.048 336 I CB 1.961 39.415 38.000 -0.911 0.000 1.239 336 I HN 0.702 nan 8.210 nan 0.000 0.421 337 N N 2.208 120.810 118.700 -0.163 0.000 2.104 337 N HA -0.037 4.704 4.740 0.001 0.000 0.227 337 N C 0.984 176.446 175.510 -0.080 0.000 1.321 337 N CA 0.144 53.138 53.050 -0.094 0.000 0.877 337 N CB 0.428 38.893 38.487 -0.036 0.000 1.117 337 N HN 0.589 nan 8.380 nan 0.000 0.486 338 S N 2.153 117.800 115.700 -0.088 0.000 2.459 338 S HA -0.060 4.411 4.470 0.001 0.000 0.204 338 S C 1.204 175.768 174.600 -0.059 0.000 1.102 338 S CA 0.905 59.071 58.200 -0.057 0.000 1.258 338 S CB -0.509 62.665 63.200 -0.043 0.000 1.033 338 S HN 0.222 nan 8.310 nan 0.000 0.398 339 N N 0.379 119.037 118.700 -0.071 0.000 2.282 339 N HA 0.336 5.077 4.740 0.001 0.000 0.240 339 N C 0.663 176.136 175.510 -0.061 0.000 1.182 339 N CA 0.003 53.021 53.050 -0.053 0.000 0.874 339 N CB 0.713 39.178 38.487 -0.037 0.000 1.126 339 N HN 0.615 nan 8.380 nan 0.000 0.516 340 Q N -0.580 119.156 119.800 -0.107 0.000 2.527 340 Q HA 0.281 4.622 4.340 0.001 0.000 0.252 340 Q C -0.459 175.497 176.000 -0.075 0.000 0.827 340 Q CA -0.348 55.400 55.803 -0.091 0.000 0.979 340 Q CB 1.065 29.688 28.738 -0.191 0.000 1.248 340 Q HN -0.011 nan 8.270 nan 0.000 0.578 341 R N 1.518 121.909 120.500 -0.182 0.000 2.728 341 R HA -0.173 4.167 4.340 0.001 0.000 0.283 341 R C -1.532 174.793 176.300 0.042 0.000 0.956 341 R CA 0.461 56.499 56.100 -0.103 0.000 0.785 341 R CB -1.515 28.763 30.300 -0.037 0.000 2.035 341 R HN 0.370 nan 8.270 nan 0.000 0.510 342 Y N 0.723 120.995 120.300 -0.047 0.000 2.286 342 Y HA 0.380 4.930 4.550 0.001 0.000 0.347 342 Y C 1.773 177.645 175.900 -0.045 0.000 1.351 342 Y CA -0.675 57.394 58.100 -0.052 0.000 1.640 342 Y CB 0.257 38.679 38.460 -0.065 0.000 1.560 342 Y HN 0.573 nan 8.280 nan 0.000 0.574 343 A N -0.125 122.776 122.820 0.134 0.000 3.656 343 A HA 0.267 4.587 4.320 0.001 0.000 0.151 343 A C 0.182 177.794 177.584 0.047 0.000 1.657 343 A CA 0.361 52.426 52.037 0.046 0.000 1.148 343 A CB -1.117 17.880 19.000 -0.005 0.000 1.569 343 A HN 0.807 nan 8.150 nan 0.000 0.709 344 T N 0.867 115.432 114.554 0.019 0.000 1.726 344 T HA -0.114 4.237 4.350 0.001 0.000 0.622 344 T C -0.206 174.516 174.700 0.037 0.000 0.932 344 T CA 0.847 62.964 62.100 0.027 0.000 3.307 344 T CB -1.839 67.056 68.868 0.046 0.000 1.917 344 T HN 1.147 nan 8.240 nan 0.000 0.408 345 N N 0.744 119.464 118.700 0.033 0.000 2.909 345 N HA 0.666 5.407 4.740 0.001 0.000 0.326 345 N C 1.416 176.957 175.510 0.051 0.000 1.368 345 N CA -0.269 52.802 53.050 0.035 0.000 0.797 345 N CB 0.067 38.566 38.487 0.020 0.000 1.150 345 N HN 0.218 nan 8.380 nan 0.000 0.550 346 S N -0.336 115.391 115.700 0.045 0.000 2.338 346 S HA -0.173 4.298 4.470 0.001 0.000 0.218 346 S C 1.139 175.786 174.600 0.078 0.000 1.032 346 S CA 1.408 59.641 58.200 0.055 0.000 0.999 346 S CB -0.828 62.397 63.200 0.041 0.000 0.905 346 S HN 0.798 nan 8.310 nan 0.000 0.439 347 E N 0.904 121.147 120.200 0.071 0.000 2.416 347 E HA 0.120 4.470 4.350 0.001 0.000 0.189 347 E C 0.566 177.241 176.600 0.125 0.000 1.091 347 E CA 0.460 56.921 56.400 0.103 0.000 0.889 347 E CB -0.264 29.469 29.700 0.055 0.000 1.015 347 E HN 0.326 nan 8.360 nan 0.000 0.479 348 T N 0.255 114.878 114.554 0.114 0.000 3.071 348 T HA 0.185 4.536 4.350 0.001 0.000 0.239 348 T C 1.937 176.750 174.700 0.187 0.000 0.997 348 T CA 0.567 62.740 62.100 0.123 0.000 1.134 348 T CB 0.160 69.056 68.868 0.047 0.000 0.928 348 T HN 0.313 nan 8.240 nan 0.000 0.453 349 A N 1.460 124.371 122.820 0.152 0.000 1.898 349 A HA 0.183 4.504 4.320 0.001 0.000 0.216 349 A C 2.454 180.148 177.584 0.183 0.000 1.181 349 A CA 1.846 53.981 52.037 0.164 0.000 0.620 349 A CB -1.241 17.830 19.000 0.120 0.000 0.819 349 A HN 0.487 nan 8.150 nan 0.000 0.442 350 G N -2.293 106.612 108.800 0.175 0.000 2.448 350 G HA2 -0.098 3.862 3.960 0.001 0.000 0.218 350 G HA3 -0.098 3.862 3.960 0.001 0.000 0.218 350 G C 1.228 176.253 174.900 0.208 0.000 1.135 350 G CA 0.808 46.003 45.100 0.159 0.000 0.784 350 G HN 0.433 nan 8.290 nan 0.000 0.543 351 F N -0.854 119.181 119.950 0.142 0.000 2.789 351 F HA 0.449 4.977 4.527 0.001 0.000 0.300 351 F C 0.447 176.398 175.800 0.251 0.000 1.132 351 F CA -0.291 57.817 58.000 0.181 0.000 1.404 351 F CB 0.432 39.529 39.000 0.162 0.000 1.114 351 F HN 0.062 nan 8.300 nan 0.000 0.584 352 F N 0.517 120.563 119.950 0.160 0.000 2.623 352 F HA 0.341 4.868 4.527 0.001 0.000 0.361 352 F C 0.850 176.669 175.800 0.032 0.000 1.469 352 F CA -0.212 57.830 58.000 0.070 0.000 1.126 352 F CB -0.191 38.834 39.000 0.040 0.000 1.221 352 F HN -0.137 nan 8.300 nan 0.000 0.536 353 R N -1.163 119.312 120.500 -0.042 0.000 3.071 353 R HA 0.002 4.342 4.340 0.001 0.000 0.138 353 R C 1.564 177.824 176.300 -0.066 0.000 0.826 353 R CA 0.226 56.291 56.100 -0.057 0.000 1.659 353 R CB -0.299 30.023 30.300 0.037 0.000 1.678 353 R HN 0.453 nan 8.270 nan 0.000 0.514 354 H N 1.141 120.134 119.070 -0.128 0.000 2.436 354 H HA 0.009 4.565 4.556 0.001 0.000 0.294 354 H C 1.658 176.872 175.328 -0.190 0.000 1.048 354 H CA 1.101 57.061 56.048 -0.146 0.000 1.353 354 H CB 0.538 30.211 29.762 -0.148 0.000 1.414 354 H HN 0.176 nan 8.280 nan 0.000 0.536 355 L N 0.821 121.849 121.223 -0.325 0.000 2.201 355 L HA -0.136 4.205 4.340 0.001 0.000 0.212 355 L C 2.634 179.280 176.870 -0.374 0.000 1.105 355 L CA 1.166 55.788 54.840 -0.363 0.000 0.775 355 L CB -1.260 40.664 42.059 -0.226 0.000 0.913 355 L HN 0.428 nan 8.230 nan 0.000 0.440 356 C N -0.390 118.662 119.300 -0.414 0.000 2.492 356 C HA -0.117 4.344 4.460 0.001 0.000 0.279 356 C C 2.807 177.654 174.990 -0.238 0.000 1.335 356 C CA 0.775 59.576 59.018 -0.361 0.000 1.734 356 C CB -0.363 27.139 27.740 -0.398 0.000 2.027 356 C HN 0.617 nan 8.230 nan 0.000 0.496 357 Q N -0.046 119.625 119.800 -0.215 0.000 2.119 357 Q HA -0.199 4.142 4.340 0.001 0.000 0.201 357 Q C 1.929 177.827 176.000 -0.170 0.000 0.972 357 Q CA 1.706 57.417 55.803 -0.153 0.000 0.847 357 Q CB -0.362 28.323 28.738 -0.089 0.000 0.903 357 Q HN 0.678 nan 8.270 nan 0.000 0.433 358 D N -0.487 119.750 120.400 -0.272 0.000 2.144 358 D HA -0.077 4.564 4.640 0.001 0.000 0.199 358 D C 0.507 176.712 176.300 -0.158 0.000 0.984 358 D CA 0.906 54.755 54.000 -0.251 0.000 0.834 358 D CB 0.212 40.780 40.800 -0.385 0.000 0.955 358 D HN 0.102 nan 8.370 nan 0.000 0.465 359 S N 0.562 116.170 115.700 -0.153 0.000 2.552 359 S HA 0.142 4.612 4.470 0.001 0.000 0.246 359 S C -0.743 173.812 174.600 -0.075 0.000 1.019 359 S CA -0.262 57.880 58.200 -0.097 0.000 1.045 359 S CB 0.484 63.632 63.200 -0.088 0.000 0.784 359 S HN 0.224 nan 8.310 nan 0.000 0.453 360 E N 0.407 120.558 120.200 -0.082 0.000 7.548 360 E HA -0.135 4.215 4.350 0.001 0.000 0.443 360 E C 0.170 176.723 176.600 -0.079 0.000 0.387 360 E CA 0.106 56.468 56.400 -0.062 0.000 0.714 360 E CB -0.645 29.040 29.700 -0.025 0.000 0.961 360 E HN 0.301 nan 8.360 nan 0.000 0.264 361 V N -0.006 119.849 119.914 -0.098 0.000 4.037 361 V HA 0.469 4.589 4.120 0.001 0.000 0.263 361 V C -1.745 174.232 176.094 -0.195 0.000 0.880 361 V CA -0.439 61.779 62.300 -0.136 0.000 0.823 361 V CB -0.435 31.316 31.823 -0.119 0.000 1.171 361 V HN 0.632 nan 8.190 nan 0.000 0.378 362 P HA 0.470 nan 4.420 nan 0.000 0.297 362 P C -0.881 176.310 177.300 -0.182 0.000 1.331 362 P CA -0.196 62.787 63.100 -0.196 0.000 0.803 362 P CB 1.427 33.014 31.700 -0.188 0.000 0.929 363 V N 4.131 123.968 119.914 -0.128 0.000 2.465 363 V HA 0.256 4.377 4.120 0.001 0.000 0.279 363 V C -0.007 176.053 176.094 -0.057 0.000 1.045 363 V CA 0.055 62.301 62.300 -0.089 0.000 0.938 363 V CB 1.060 32.830 31.823 -0.088 0.000 0.986 363 V HN 0.539 nan 8.190 nan 0.000 0.467 364 Q N 3.481 123.258 119.800 -0.038 0.000 2.823 364 Q HA 0.809 5.149 4.340 0.001 0.000 0.230 364 Q C -0.868 175.145 176.000 0.022 0.000 1.026 364 Q CA -0.638 55.144 55.803 -0.034 0.000 0.940 364 Q CB 2.135 30.822 28.738 -0.087 0.000 1.382 364 Q HN 0.930 nan 8.270 nan 0.000 0.502 365 S N -0.807 114.919 115.700 0.044 0.000 2.547 365 S HA 0.678 5.148 4.470 0.001 0.000 0.270 365 S C -0.983 173.749 174.600 0.220 0.000 1.150 365 S CA -0.783 57.490 58.200 0.123 0.000 0.850 365 S CB 1.138 64.414 63.200 0.127 0.000 1.118 365 S HN 0.691 nan 8.310 nan 0.000 0.461 366 F N -0.402 119.561 119.950 0.022 0.000 2.183 366 F HA -0.146 4.382 4.527 0.000 0.000 0.318 366 F C 0.501 176.321 175.800 0.034 0.000 1.277 366 F CA 0.839 58.861 58.000 0.037 0.000 0.914 366 F CB -0.439 38.587 39.000 0.042 0.000 4.133 366 F HN 0.828 nan 8.300 nan 0.000 0.140 367 V N 1.045 120.842 119.914 -0.195 0.000 3.406 367 V HA 0.172 4.292 4.120 0.001 0.000 0.266 367 V C 0.153 176.341 176.094 0.157 0.000 1.697 367 V CA 1.300 63.623 62.300 0.039 0.000 1.046 367 V CB 0.897 32.751 31.823 0.051 0.000 0.879 367 V HN 0.994 nan 8.190 nan 0.000 0.399 368 T N 0.064 114.478 114.554 -0.233 0.000 2.844 368 T HA 0.642 4.993 4.350 0.001 0.000 0.274 368 T C -0.344 174.454 174.700 0.164 0.000 0.991 368 T CA -0.455 61.585 62.100 -0.101 0.000 0.983 368 T CB 1.600 70.298 68.868 -0.283 0.000 1.310 368 T HN 0.343 nan 8.240 nan 0.000 0.596 369 R N -0.274 120.302 120.500 0.126 0.000 2.888 369 R HA 0.500 4.841 4.340 0.001 0.000 0.266 369 R C 1.255 177.640 176.300 0.141 0.000 1.020 369 R CA -0.733 55.483 56.100 0.194 0.000 0.963 369 R CB 1.530 31.895 30.300 0.110 0.000 1.197 369 R HN 0.575 nan 8.270 nan 0.000 0.481 370 S N 0.397 116.181 115.700 0.140 0.000 2.368 370 S HA -0.172 4.298 4.470 0.001 0.000 0.224 370 S C 1.144 175.772 174.600 0.047 0.000 1.029 370 S CA 1.839 60.095 58.200 0.092 0.000 0.988 370 S CB -0.114 63.130 63.200 0.073 0.000 0.838 370 S HN 0.678 nan 8.310 nan 0.000 0.462 371 D N -0.107 120.316 120.400 0.039 0.000 2.201 371 D HA 0.132 4.773 4.640 0.001 0.000 0.209 371 D C 1.083 177.387 176.300 0.007 0.000 0.961 371 D CA 0.532 54.543 54.000 0.018 0.000 0.861 371 D CB 0.092 40.902 40.800 0.016 0.000 0.997 371 D HN 0.229 nan 8.370 nan 0.000 0.486 372 M N -0.558 119.048 119.600 0.009 0.000 2.082 372 M HA 0.405 4.886 4.480 0.001 0.000 0.218 372 M C -0.125 176.163 176.300 -0.020 0.000 1.175 372 M CA 0.627 55.920 55.300 -0.010 0.000 0.985 372 M CB 0.869 33.459 32.600 -0.017 0.000 1.250 372 M HN 0.209 nan 8.290 nan 0.000 0.547 373 G N 0.654 109.434 108.800 -0.033 0.000 3.190 373 G HA2 -0.044 3.916 3.960 0.001 0.000 0.686 373 G HA3 -0.044 3.916 3.960 0.001 0.000 0.686 373 G C -1.057 173.823 174.900 -0.033 0.000 1.033 373 G CA -0.538 44.538 45.100 -0.039 0.000 0.797 373 G HN 1.283 nan 8.290 nan 0.000 0.567 374 C N 2.372 121.662 119.300 -0.015 0.000 2.609 374 C HA 1.024 5.484 4.460 0.001 0.000 0.313 374 C C 1.803 176.807 174.990 0.024 0.000 1.175 374 C CA 0.452 59.464 59.018 -0.009 0.000 1.434 374 C CB 1.289 29.013 27.740 -0.026 0.000 2.005 374 C HN 3.006 nan 8.230 nan 0.000 0.471 375 G N 2.286 111.101 108.800 0.025 0.000 2.699 375 G HA2 -0.255 3.705 3.960 0.001 0.000 0.351 375 G HA3 -0.255 3.705 3.960 0.001 0.000 0.351 375 G C 0.829 175.804 174.900 0.126 0.000 1.191 375 G CA 2.097 47.226 45.100 0.047 0.000 0.953 375 G HN 2.865 nan 8.290 nan 0.000 0.557 376 S N -0.587 115.154 115.700 0.069 0.000 3.608 376 S HA -0.130 4.341 4.470 0.001 0.000 0.382 376 S C 0.702 175.273 174.600 -0.049 0.000 0.945 376 S CA 1.737 59.949 58.200 0.021 0.000 1.256 376 S CB -1.877 61.361 63.200 0.063 0.000 0.913 376 S HN 2.490 nan 8.310 nan 0.000 0.518 377 T N 1.648 116.179 114.554 -0.038 0.000 4.099 377 T HA 0.392 4.742 4.350 0.001 0.000 0.223 377 T C 0.891 175.525 174.700 -0.110 0.000 0.968 377 T CA -0.260 61.806 62.100 -0.057 0.000 0.966 377 T CB -0.652 68.193 68.868 -0.039 0.000 1.328 377 T HN 0.784 nan 8.240 nan 0.000 0.783 378 I N 0.003 120.459 120.570 -0.190 0.000 2.471 378 I HA 0.444 4.614 4.170 0.001 0.000 0.294 378 I C 1.068 177.143 176.117 -0.071 0.000 1.123 378 I CA 0.053 61.273 61.300 -0.133 0.000 1.336 378 I CB -1.198 36.690 38.000 -0.186 0.000 1.430 378 I HN 0.626 nan 8.210 nan 0.000 0.533 379 G N 9.153 117.960 108.800 0.012 0.000 2.699 379 G HA2 -0.306 3.655 3.960 0.001 0.000 0.347 379 G HA3 -0.306 3.655 3.960 0.001 0.000 0.347 379 G C -2.114 172.772 174.900 -0.023 0.000 1.225 379 G CA 0.170 45.305 45.100 0.058 0.000 0.973 379 G HN 0.647 nan 8.290 nan 0.000 0.551 380 P HA 0.354 nan 4.420 nan 0.000 0.254 380 P C 0.348 177.591 177.300 -0.095 0.000 1.186 380 P CA 1.378 64.416 63.100 -0.103 0.000 0.868 380 P CB 0.359 31.993 31.700 -0.109 0.000 0.856 381 I N 2.111 122.631 120.570 -0.084 0.000 5.046 381 I HA -0.184 3.986 4.170 0.001 0.000 0.319 381 I C 0.969 177.064 176.117 -0.038 0.000 0.611 381 I CA 1.509 62.783 61.300 -0.045 0.000 1.607 381 I CB -0.791 37.202 38.000 -0.012 0.000 3.211 381 I HN 0.142 nan 8.210 nan 0.000 1.015 382 T N 0.590 115.118 114.554 -0.044 0.000 3.051 382 T HA 0.460 4.811 4.350 0.001 0.000 0.255 382 T C 1.492 176.178 174.700 -0.024 0.000 1.085 382 T CA 0.757 62.842 62.100 -0.025 0.000 1.109 382 T CB 0.022 68.875 68.868 -0.025 0.000 0.921 382 T HN 0.437 nan 8.240 nan 0.000 0.488 383 A N 1.291 124.049 122.820 -0.103 0.000 2.218 383 A HA 0.275 4.596 4.320 0.001 0.000 0.209 383 A C 2.197 179.624 177.584 -0.262 0.000 1.168 383 A CA 0.230 52.091 52.037 -0.293 0.000 0.804 383 A CB -0.434 18.197 19.000 -0.616 0.000 0.834 383 A HN 0.356 nan 8.150 nan 0.000 0.482 384 S N 0.052 115.665 115.700 -0.145 0.000 2.603 384 S HA -0.066 4.405 4.470 0.001 0.000 0.229 384 S C 1.624 176.184 174.600 -0.067 0.000 0.972 384 S CA 0.713 58.847 58.200 -0.109 0.000 0.935 384 S CB -0.112 63.043 63.200 -0.074 0.000 0.769 384 S HN 0.575 nan 8.310 nan 0.000 0.536 385 Q N 0.753 120.530 119.800 -0.038 0.000 2.437 385 Q HA 0.076 4.416 4.340 0.001 0.000 0.210 385 Q C 1.931 177.955 176.000 0.039 0.000 0.972 385 Q CA 0.439 56.250 55.803 0.012 0.000 0.903 385 Q CB -0.543 28.221 28.738 0.044 0.000 0.967 385 Q HN 0.373 nan 8.270 nan 0.000 0.486 386 V N -1.037 118.881 119.914 0.007 0.000 2.295 386 V HA -0.081 4.039 4.120 0.001 0.000 0.246 386 V C 1.366 177.428 176.094 -0.054 0.000 1.049 386 V CA 1.757 64.079 62.300 0.038 0.000 1.024 386 V CB -0.533 31.253 31.823 -0.062 0.000 0.648 386 V HN 0.518 nan 8.190 nan 0.000 0.447 387 G N -0.722 108.016 108.800 -0.103 0.000 2.245 387 G HA2 -0.068 3.893 3.960 0.001 0.000 0.116 387 G HA3 -0.068 3.893 3.960 0.001 0.000 0.116 387 G C -0.468 174.350 174.900 -0.137 0.000 1.054 387 G CA -0.183 44.854 45.100 -0.106 0.000 0.728 387 G HN 0.412 nan 8.290 nan 0.000 0.483 388 V N 0.320 120.154 119.914 -0.132 0.000 2.680 388 V HA 0.588 4.709 4.120 0.001 0.000 0.309 388 V C 0.748 176.787 176.094 -0.092 0.000 1.052 388 V CA -1.298 60.931 62.300 -0.118 0.000 0.908 388 V CB 1.809 33.553 31.823 -0.131 0.000 1.001 388 V HN 0.400 nan 8.190 nan 0.000 0.431 389 R N 1.651 122.104 120.500 -0.077 0.000 2.489 389 R HA 0.425 4.766 4.340 0.001 0.000 0.287 389 R C -0.387 175.868 176.300 -0.075 0.000 1.053 389 R CA 0.035 56.094 56.100 -0.068 0.000 1.036 389 R CB 0.351 30.610 30.300 -0.068 0.000 0.966 389 R HN 0.718 nan 8.270 nan 0.000 0.432 390 T N 2.386 116.894 114.554 -0.077 0.000 2.792 390 T HA 0.226 4.576 4.350 0.001 0.000 0.280 390 T C -0.198 174.433 174.700 -0.116 0.000 0.990 390 T CA -0.697 61.340 62.100 -0.105 0.000 0.960 390 T CB 1.719 70.524 68.868 -0.104 0.000 0.939 390 T HN 0.189 nan 8.240 nan 0.000 0.439 391 V N 3.753 123.550 119.914 -0.195 0.000 2.353 391 V HA 0.198 4.319 4.120 0.001 0.000 0.264 391 V C 0.423 176.353 176.094 -0.274 0.000 1.049 391 V CA -0.579 61.564 62.300 -0.262 0.000 0.896 391 V CB 0.611 32.128 31.823 -0.510 0.000 1.025 391 V HN 0.836 nan 8.190 nan 0.000 0.475 392 D N 5.527 125.831 120.400 -0.160 0.000 2.468 392 D HA 0.390 5.030 4.640 0.001 0.000 0.218 392 D C -0.168 176.056 176.300 -0.127 0.000 1.155 392 D CA -0.106 53.807 54.000 -0.145 0.000 0.924 392 D CB 0.800 41.552 40.800 -0.079 0.000 1.029 392 D HN 0.550 nan 8.370 nan 0.000 0.515 393 I N -0.053 120.408 120.570 -0.181 0.000 3.540 393 I HA 0.944 5.115 4.170 0.001 0.000 0.288 393 I C 0.670 176.731 176.117 -0.093 0.000 1.169 393 I CA -0.705 60.533 61.300 -0.104 0.000 1.038 393 I CB 1.803 39.756 38.000 -0.079 0.000 1.338 393 I HN 0.217 nan 8.210 nan 0.000 0.507 394 G N 0.132 108.920 108.800 -0.021 0.000 2.474 394 G HA2 0.544 4.504 3.960 0.001 0.000 0.234 394 G HA3 0.544 4.504 3.960 0.001 0.000 0.234 394 G C -2.002 172.962 174.900 0.107 0.000 1.204 394 G CA -0.829 44.270 45.100 -0.002 0.000 0.939 394 G HN 0.636 nan 8.290 nan 0.000 0.491 395 L N 0.957 122.248 121.223 0.113 0.000 2.431 395 L HA 0.434 4.774 4.340 0.001 0.000 0.266 395 L C -2.620 174.278 176.870 0.047 0.000 0.978 395 L CA -1.891 53.026 54.840 0.128 0.000 0.822 395 L CB 3.026 45.220 42.059 0.226 0.000 1.310 395 L HN 0.202 nan 8.230 nan 0.000 0.409 396 P HA 0.054 nan 4.420 nan 0.000 0.256 396 P C -1.000 176.335 177.300 0.058 0.000 1.189 396 P CA 0.542 63.656 63.100 0.024 0.000 0.808 396 P CB 0.299 32.018 31.700 0.032 0.000 0.793 397 T N 3.910 118.485 114.554 0.036 0.000 3.395 397 T HA 0.384 4.735 4.350 0.001 0.000 0.330 397 T C -0.985 173.787 174.700 0.120 0.000 1.076 397 T CA -0.200 61.955 62.100 0.091 0.000 1.070 397 T CB 0.441 69.354 68.868 0.076 0.000 1.119 397 T HN -0.037 nan 8.240 nan 0.000 0.462 398 F N 1.914 121.965 119.950 0.169 0.000 2.535 398 F HA 0.719 5.246 4.527 0.001 0.000 0.367 398 F C 0.848 176.765 175.800 0.195 0.000 1.096 398 F CA -0.459 57.689 58.000 0.246 0.000 1.088 398 F CB 0.944 40.103 39.000 0.266 0.000 1.387 398 F HN 0.818 nan 8.300 nan 0.000 0.494 399 A N 1.811 125.035 122.820 0.674 0.000 2.610 399 A HA -0.245 4.075 4.320 0.001 0.000 0.299 399 A C 0.164 177.919 177.584 0.285 0.000 1.487 399 A CA 0.774 53.030 52.037 0.365 0.000 0.743 399 A CB -2.376 16.780 19.000 0.260 0.000 1.070 399 A HN 0.651 nan 8.150 nan 0.000 0.439 400 M N -0.315 119.473 119.600 0.314 0.000 1.801 400 M HA 0.414 4.894 4.480 0.001 0.000 0.211 400 M C 1.498 177.973 176.300 0.293 0.000 1.304 400 M CA 1.154 56.620 55.300 0.277 0.000 0.912 400 M CB -0.022 32.764 32.600 0.311 0.000 1.257 400 M HN 0.588 nan 8.290 nan 0.000 0.458 401 H N -1.256 117.849 119.070 0.060 0.000 2.731 401 H HA -0.168 4.389 4.556 0.001 0.000 0.305 401 H C -0.323 175.022 175.328 0.029 0.000 1.132 401 H CA 0.481 56.547 56.048 0.030 0.000 1.148 401 H CB -1.206 28.561 29.762 0.008 0.000 1.379 401 H HN 0.542 nan 8.280 nan 0.000 0.398 402 S N -0.767 115.008 115.700 0.125 0.000 3.144 402 S HA 0.625 5.095 4.470 0.001 0.000 0.325 402 S C 0.340 174.977 174.600 0.062 0.000 1.161 402 S CA -0.440 57.817 58.200 0.095 0.000 0.920 402 S CB 1.279 64.549 63.200 0.117 0.000 1.340 402 S HN 0.257 nan 8.310 nan 0.000 0.681 403 I N 0.882 121.491 120.570 0.064 0.000 3.424 403 I HA 0.579 4.750 4.170 0.001 0.000 0.339 403 I C 0.102 176.243 176.117 0.039 0.000 1.549 403 I CA -0.184 61.139 61.300 0.038 0.000 1.049 403 I CB 0.157 38.181 38.000 0.039 0.000 1.439 403 I HN 0.406 nan 8.210 nan 0.000 0.500 404 R N 1.226 121.755 120.500 0.050 0.000 3.221 404 R HA 0.243 4.583 4.340 0.001 0.000 0.274 404 R C -1.577 174.768 176.300 0.075 0.000 0.909 404 R CA -0.839 55.290 56.100 0.049 0.000 0.803 404 R CB 0.499 30.830 30.300 0.051 0.000 1.513 404 R HN 0.191 nan 8.270 nan 0.000 0.491 405 E N 0.972 121.216 120.200 0.074 0.000 7.527 405 E HA -0.112 4.239 4.350 0.001 0.000 0.389 405 E C -1.945 174.724 176.600 0.115 0.000 0.568 405 E CA 0.839 57.295 56.400 0.093 0.000 1.067 405 E CB -0.252 29.513 29.700 0.107 0.000 0.942 405 E HN 0.874 nan 8.360 nan 0.000 0.262 406 L N 1.174 122.458 121.223 0.102 0.000 2.975 406 L HA 0.163 4.504 4.340 0.001 0.000 0.550 406 L C -0.789 176.155 176.870 0.124 0.000 1.001 406 L CA 2.541 57.450 54.840 0.114 0.000 1.291 406 L CB -0.844 41.294 42.059 0.132 0.000 1.434 406 L HN 1.642 nan 8.230 nan 0.000 0.696 407 A N 4.062 126.947 122.820 0.107 0.000 2.401 407 A HA 0.647 4.967 4.320 0.001 0.000 0.313 407 A C 0.245 177.889 177.584 0.100 0.000 1.013 407 A CA -0.248 51.853 52.037 0.108 0.000 1.034 407 A CB -0.282 18.781 19.000 0.104 0.000 1.324 407 A HN 1.903 nan 8.150 nan 0.000 0.366 408 G N 0.791 109.655 108.800 0.106 0.000 2.484 408 G HA2 0.416 4.377 3.960 0.001 0.000 0.235 408 G HA3 0.416 4.377 3.960 0.001 0.000 0.235 408 G C 0.718 175.682 174.900 0.107 0.000 1.282 408 G CA 0.651 45.821 45.100 0.116 0.000 0.857 408 G HN 1.595 nan 8.290 nan 0.000 0.571 409 S N 0.522 116.290 115.700 0.113 0.000 2.577 409 S HA 0.266 4.737 4.470 0.001 0.000 0.239 409 S C 0.637 175.257 174.600 0.035 0.000 1.236 409 S CA -0.388 57.850 58.200 0.064 0.000 1.233 409 S CB -0.376 62.856 63.200 0.054 0.000 0.908 409 S HN 0.759 nan 8.310 nan 0.000 0.493 410 H N -0.830 118.240 119.070 -0.000 0.000 3.710 410 H HA 0.195 4.751 4.556 0.001 0.000 0.245 410 H C 0.824 176.059 175.328 -0.155 0.000 1.011 410 H CA 0.210 56.218 56.048 -0.066 0.000 1.098 410 H CB 0.350 30.134 29.762 0.038 0.000 1.406 410 H HN 0.396 nan 8.280 nan 0.000 0.657 411 D N 1.976 122.474 120.400 0.164 0.000 2.178 411 D HA -0.136 4.504 4.640 0.001 0.000 0.201 411 D C 2.076 178.411 176.300 0.058 0.000 0.980 411 D CA 1.270 55.401 54.000 0.219 0.000 0.842 411 D CB 0.067 40.966 40.800 0.164 0.000 0.948 411 D HN 0.341 nan 8.370 nan 0.000 0.472 412 L N -0.409 120.792 121.223 -0.037 0.000 2.201 412 L HA 0.126 4.467 4.340 0.001 0.000 0.212 412 L C 2.129 178.925 176.870 -0.123 0.000 1.105 412 L CA 1.597 56.383 54.840 -0.091 0.000 0.775 412 L CB -1.798 40.201 42.059 -0.100 0.000 0.913 412 L HN -0.002 nan 8.230 nan 0.000 0.440 413 A N 0.084 122.774 122.820 -0.217 0.000 2.066 413 A HA -0.127 4.193 4.320 0.001 0.000 0.218 413 A C 1.877 179.327 177.584 -0.224 0.000 1.157 413 A CA 1.068 52.953 52.037 -0.254 0.000 0.670 413 A CB -0.818 17.973 19.000 -0.348 0.000 0.804 413 A HN 0.651 nan 8.150 nan 0.000 0.453 414 H N -2.019 117.066 119.070 0.025 0.000 2.520 414 H HA 0.190 4.747 4.556 0.001 0.000 0.279 414 H C 1.754 177.082 175.328 -0.001 0.000 0.990 414 H CA 0.730 56.785 56.048 0.012 0.000 1.288 414 H CB 0.161 29.933 29.762 0.018 0.000 1.446 414 H HN 0.375 nan 8.280 nan 0.000 0.538 415 L N 1.320 122.592 121.223 0.082 0.000 2.179 415 L HA -0.073 4.268 4.340 0.001 0.000 0.208 415 L C 2.180 179.057 176.870 0.012 0.000 1.096 415 L CA 0.631 55.496 54.840 0.042 0.000 0.779 415 L CB -0.109 41.938 42.059 -0.020 0.000 0.922 415 L HN 0.282 nan 8.230 nan 0.000 0.443 416 V N -2.806 117.102 119.914 -0.011 0.000 2.358 416 V HA -0.136 3.985 4.120 0.001 0.000 0.246 416 V C 1.697 177.806 176.094 0.024 0.000 1.047 416 V CA 0.931 63.228 62.300 -0.004 0.000 1.035 416 V CB -0.909 30.899 31.823 -0.024 0.000 0.658 416 V HN 0.297 nan 8.190 nan 0.000 0.452 417 K N -0.585 119.829 120.400 0.024 0.000 2.140 417 K HA 0.382 4.703 4.320 0.001 0.000 0.237 417 K C 1.026 177.642 176.600 0.026 0.000 1.045 417 K CA 0.577 56.881 56.287 0.029 0.000 0.896 417 K CB 1.290 33.807 32.500 0.027 0.000 1.122 417 K HN 0.129 nan 8.250 nan 0.000 0.503 418 V N -0.666 119.247 119.914 -0.001 0.000 0.524 418 V HA -0.445 3.675 4.120 0.001 0.000 0.092 418 V C 1.672 177.804 176.094 0.065 0.000 2.204 418 V CA 2.303 64.574 62.300 -0.048 0.000 3.556 418 V CB -1.416 30.315 31.823 -0.153 0.000 0.846 418 V HN 0.783 nan 8.190 nan 0.000 0.884 419 L N 0.462 121.747 121.223 0.105 0.000 2.156 419 L HA 0.030 4.371 4.340 0.001 0.000 0.208 419 L C 2.442 179.298 176.870 -0.023 0.000 1.095 419 L CA 1.830 56.729 54.840 0.099 0.000 0.770 419 L CB -0.634 41.424 42.059 -0.002 0.000 0.914 419 L HN 0.641 nan 8.230 nan 0.000 0.439 420 G N -0.693 108.135 108.800 0.047 0.000 2.421 420 G HA2 -0.144 3.817 3.960 0.001 0.000 0.217 420 G HA3 -0.144 3.817 3.960 0.001 0.000 0.217 420 G C 1.700 176.684 174.900 0.140 0.000 1.143 420 G CA 0.672 45.859 45.100 0.144 0.000 0.784 420 G HN 0.439 nan 8.290 nan 0.000 0.541 421 A N 0.443 123.319 122.820 0.093 0.000 2.016 421 A HA 0.216 4.537 4.320 0.001 0.000 0.217 421 A C 2.020 179.672 177.584 0.113 0.000 1.162 421 A CA 1.153 53.232 52.037 0.071 0.000 0.662 421 A CB -0.423 18.585 19.000 0.013 0.000 0.812 421 A HN 0.459 nan 8.150 nan 0.000 0.450 422 F N -0.597 119.362 119.950 0.016 0.000 2.234 422 F HA -0.122 4.406 4.527 0.001 0.000 0.299 422 F C 1.407 177.274 175.800 0.110 0.000 1.087 422 F CA 0.983 59.024 58.000 0.068 0.000 1.340 422 F CB -0.351 38.703 39.000 0.091 0.000 1.031 422 F HN 0.261 nan 8.300 nan 0.000 0.500 423 Y N 1.314 121.496 120.300 -0.197 0.000 2.665 423 Y HA 0.364 4.914 4.550 0.001 0.000 0.320 423 Y C 0.838 176.623 175.900 -0.192 0.000 1.204 423 Y CA -0.311 57.616 58.100 -0.287 0.000 1.315 423 Y CB -1.351 37.070 38.460 -0.066 0.000 1.033 423 Y HN 0.201 nan 8.280 nan 0.000 0.509 424 A N -2.109 120.701 122.820 -0.017 0.000 2.593 424 A HA 0.753 5.074 4.320 0.001 0.000 0.290 424 A C 0.042 177.627 177.584 0.003 0.000 1.126 424 A CA -0.284 51.751 52.037 -0.003 0.000 0.695 424 A CB 0.833 19.846 19.000 0.022 0.000 1.290 424 A HN 0.026 nan 8.150 nan 0.000 0.414 425 S N -1.257 114.451 115.700 0.013 0.000 3.377 425 S HA 0.113 4.584 4.470 0.001 0.000 0.846 425 S C -0.112 174.533 174.600 0.074 0.000 1.142 425 S CA 0.462 58.685 58.200 0.038 0.000 1.051 425 S CB -1.116 62.106 63.200 0.037 0.000 0.704 425 S HN 2.229 nan 8.310 nan 0.000 0.286 426 S N 0.000 115.753 115.700 0.089 0.000 2.498 426 S HA 0.000 4.471 4.470 0.001 0.000 0.327 426 S CA 0.000 58.272 58.200 0.120 0.000 1.107 426 S CB 0.000 63.236 63.200 0.059 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517