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 2zsm_1_C DATA FIRST_RESID 10 DATA SEQUENCE EKSRMLFERT KELFPGGVNS PVRAAVKPYP FYVKRGEGAY LYTVDGARIV DATA SEQUENCE DLVLAYGPLI LGHKHPRVLE AVEEALARGW LYGAPGEAEV LLAEKILGYV DATA SEQUENCE KRGGMIRFVN SGTEATMTAI RLARGYTGRD LILKFDGCYH GSHDAVLVAA DATA SEQUENCE GXXXXXXGVP TSAGVPEAVA RLTLVTPYND VEALERVFAE YGDRIAGVIV DATA SEQUENCE EPVIANAGVI PPRREFLAAL QRLSRESGAL LILDEVVTGF RLGLEGAQGY DATA SEQUENCE FNIEGDIIVL GKIIGGGFPV GAVAGSREVM SLLTPQGKVF NAGTFNAHPI DATA SEQUENCE TMAAGLATLK ALEEEPVYSV SREAAKALEE AASEVLDRTG LPYTINRVES DATA SEQUENCE MMQLFIGVEE VSNAAQARKA DKKFYVKLHE EMLRRGVFIA PSNLEAVFTG DATA SEQUENCE LPHQGEALEI AVEGLRSSLK TVLGS 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 10 E HA 0.000 nan 4.350 nan 0.000 0.291 10 E C 0.000 176.634 176.600 0.057 0.000 1.382 10 E CA 0.000 56.442 56.400 0.070 0.000 0.976 10 E CB 0.000 29.722 29.700 0.037 0.000 0.812 11 K N 0.169 120.602 120.400 0.055 0.000 2.057 11 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 11 K C 1.700 178.315 176.600 0.025 0.000 1.049 11 K CA 1.523 57.826 56.287 0.027 0.000 0.931 11 K CB -0.187 32.331 32.500 0.030 0.000 0.714 11 K HN -0.029 nan 8.250 nan 0.000 0.440 12 S N 1.353 117.136 115.700 0.138 0.000 2.370 12 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 12 S C 1.973 176.690 174.600 0.194 0.000 1.033 12 S CA 1.555 59.908 58.200 0.254 0.000 1.011 12 S CB -0.234 63.263 63.200 0.495 0.000 0.852 12 S HN 0.255 nan 8.310 nan 0.000 0.457 13 R N 1.682 122.268 120.500 0.144 0.000 2.094 13 R HA -0.011 4.329 4.340 -0.000 0.000 0.239 13 R C 2.156 178.428 176.300 -0.048 0.000 1.137 13 R CA 1.898 57.924 56.100 -0.123 0.000 0.943 13 R CB -0.680 29.539 30.300 -0.136 0.000 0.850 13 R HN 0.420 nan 8.270 nan 0.000 0.433 14 M N -0.210 119.358 119.600 -0.052 0.000 2.086 14 M HA -0.140 4.339 4.480 -0.000 0.000 0.261 14 M C 2.259 178.482 176.300 -0.128 0.000 1.067 14 M CA 1.695 56.947 55.300 -0.080 0.000 1.116 14 M CB -0.372 32.186 32.600 -0.071 0.000 1.348 14 M HN 0.155 nan 8.290 nan 0.000 0.407 15 L N -0.867 120.221 121.223 -0.226 0.000 2.131 15 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 15 L C 2.510 179.198 176.870 -0.304 0.000 1.092 15 L CA 1.028 55.606 54.840 -0.438 0.000 0.759 15 L CB -0.635 40.828 42.059 -0.993 0.000 0.903 15 L HN 0.226 nan 8.230 nan 0.000 0.435 16 F N 1.160 120.956 119.950 -0.257 0.000 2.102 16 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 16 F C 2.547 178.331 175.800 -0.026 0.000 1.105 16 F CA 1.551 59.573 58.000 0.036 0.000 1.239 16 F CB -0.195 38.850 39.000 0.076 0.000 0.991 16 F HN 0.036 nan 8.300 nan 0.000 0.474 17 E N 0.258 120.339 120.200 -0.199 0.000 2.110 17 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 17 E C 2.403 178.857 176.600 -0.243 0.000 0.988 17 E CA 1.064 57.289 56.400 -0.292 0.000 0.804 17 E CB -0.590 29.010 29.700 -0.168 0.000 0.745 17 E HN 0.451 nan 8.360 nan 0.000 0.458 18 R N 0.732 121.121 120.500 -0.186 0.000 2.075 18 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 18 R C 2.313 178.487 176.300 -0.211 0.000 1.126 18 R CA 1.915 57.908 56.100 -0.177 0.000 0.963 18 R CB -0.175 30.029 30.300 -0.159 0.000 0.858 18 R HN 0.253 nan 8.270 nan 0.000 0.435 19 T N -2.023 112.426 114.554 -0.175 0.000 3.055 19 T HA 0.051 4.401 4.350 -0.000 0.000 0.265 19 T C 1.523 176.101 174.700 -0.203 0.000 1.111 19 T CA 0.562 62.538 62.100 -0.206 0.000 1.118 19 T CB 0.013 68.982 68.868 0.168 0.000 0.909 19 T HN 0.211 nan 8.240 nan 0.000 0.501 20 K N 1.002 121.268 120.400 -0.223 0.000 2.280 20 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 20 K C 2.113 178.617 176.600 -0.160 0.000 1.047 20 K CA 1.191 57.354 56.287 -0.207 0.000 0.942 20 K CB 0.045 32.352 32.500 -0.321 0.000 0.739 20 K HN 0.564 nan 8.250 nan 0.000 0.457 21 E N 0.030 120.112 120.200 -0.196 0.000 2.400 21 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 21 E C 1.761 178.242 176.600 -0.198 0.000 1.012 21 E CA 0.465 56.767 56.400 -0.165 0.000 0.875 21 E CB 0.283 29.891 29.700 -0.154 0.000 0.859 21 E HN 0.303 nan 8.360 nan 0.000 0.498 22 L N -0.443 120.567 121.223 -0.356 0.000 2.357 22 L HA 0.169 4.509 4.340 -0.000 0.000 0.211 22 L C 0.225 176.865 176.870 -0.384 0.000 1.075 22 L CA 0.427 54.955 54.840 -0.520 0.000 0.830 22 L CB 0.172 41.638 42.059 -0.988 0.000 0.996 22 L HN -0.082 nan 8.230 nan 0.000 0.467 23 F N -0.723 119.232 119.950 0.008 0.000 2.563 23 F HA 0.503 5.030 4.527 -0.000 0.000 0.316 23 F C -2.451 173.355 175.800 0.010 0.000 1.076 23 F CA -3.829 54.181 58.000 0.017 0.000 0.921 23 F CB 0.022 39.044 39.000 0.035 0.000 1.209 23 F HN -0.382 nan 8.300 nan 0.000 0.462 24 P HA 0.242 nan 4.420 nan 0.000 0.271 24 P C 0.716 178.086 177.300 0.117 0.000 1.233 24 P CA 0.623 63.793 63.100 0.117 0.000 0.764 24 P CB 0.537 32.287 31.700 0.084 0.000 0.825 25 G N 3.390 112.244 108.800 0.091 0.000 2.168 25 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.263 25 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.263 25 G C 0.922 175.914 174.900 0.155 0.000 0.977 25 G CA 0.468 45.628 45.100 0.101 0.000 0.659 25 G HN 1.019 nan 8.290 nan 0.000 0.533 26 G N -2.635 106.276 108.800 0.184 0.000 2.179 26 G HA2 0.122 4.082 3.960 -0.000 0.000 0.260 26 G HA3 0.122 4.082 3.960 -0.000 0.000 0.260 26 G C 0.970 176.125 174.900 0.425 0.000 0.977 26 G CA 1.715 46.973 45.100 0.263 0.000 0.641 26 G HN 2.433 nan 8.290 nan 0.000 0.533 27 V N -4.497 115.580 119.914 0.272 0.000 3.181 27 V HA 0.764 4.884 4.120 -0.000 0.000 0.308 27 V C 0.544 176.563 176.094 -0.125 0.000 1.214 27 V CA -0.614 61.732 62.300 0.076 0.000 1.053 27 V CB 1.743 33.586 31.823 0.034 0.000 1.069 27 V HN -0.074 nan 8.190 nan 0.000 0.441 28 N N 0.490 119.025 118.700 -0.275 0.000 2.280 28 N HA 0.240 4.980 4.740 -0.000 0.000 0.192 28 N C 0.012 175.438 175.510 -0.141 0.000 1.109 28 N CA 0.450 53.332 53.050 -0.279 0.000 0.855 28 N CB 1.136 39.388 38.487 -0.392 0.000 0.974 28 N HN 0.683 nan 8.380 nan 0.000 0.482 29 S N 0.375 116.013 115.700 -0.103 0.000 2.652 29 S HA 0.221 4.691 4.470 -0.000 0.000 0.273 29 S C -1.935 172.618 174.600 -0.079 0.000 1.172 29 S CA -1.013 57.135 58.200 -0.086 0.000 1.009 29 S CB 1.663 64.807 63.200 -0.092 0.000 1.094 29 S HN -0.093 nan 8.310 nan 0.000 0.471 30 P HA -0.173 nan 4.420 nan 0.000 0.220 30 P C 1.480 178.732 177.300 -0.080 0.000 1.155 30 P CA 1.251 64.311 63.100 -0.066 0.000 0.880 30 P CB 0.040 31.694 31.700 -0.076 0.000 0.790 31 V N 0.249 120.079 119.914 -0.140 0.000 2.594 31 V HA -0.195 3.925 4.120 -0.000 0.000 0.253 31 V C 2.703 178.773 176.094 -0.040 0.000 1.069 31 V CA 1.637 63.856 62.300 -0.135 0.000 1.082 31 V CB -0.935 30.713 31.823 -0.292 0.000 0.680 31 V HN 0.026 nan 8.190 nan 0.000 0.469 32 R N 0.209 120.691 120.500 -0.030 0.000 2.152 32 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 32 R C 2.224 178.503 176.300 -0.034 0.000 1.117 32 R CA 1.307 57.398 56.100 -0.015 0.000 0.981 32 R CB -0.485 29.783 30.300 -0.052 0.000 0.870 32 R HN 0.580 nan 8.270 nan 0.000 0.451 33 A N 0.779 123.600 122.820 0.002 0.000 2.167 33 A HA 0.115 4.435 4.320 -0.000 0.000 0.214 33 A C 2.053 179.662 177.584 0.042 0.000 1.151 33 A CA 1.034 53.104 52.037 0.055 0.000 0.735 33 A CB -0.104 18.954 19.000 0.098 0.000 0.802 33 A HN 0.330 nan 8.150 nan 0.000 0.467 34 A N -0.450 122.377 122.820 0.011 0.000 2.208 34 A HA 0.390 4.710 4.320 -0.000 0.000 0.209 34 A C 0.813 178.406 177.584 0.016 0.000 1.161 34 A CA 0.062 52.103 52.037 0.008 0.000 0.782 34 A CB -0.445 18.540 19.000 -0.025 0.000 0.816 34 A HN 0.210 nan 8.150 nan 0.000 0.477 35 V N 2.275 122.208 119.914 0.031 0.000 2.599 35 V HA 0.049 4.169 4.120 -0.000 0.000 0.300 35 V C 0.148 176.336 176.094 0.156 0.000 1.034 35 V CA 0.279 62.687 62.300 0.180 0.000 1.115 35 V CB 0.441 32.273 31.823 0.015 0.000 0.934 35 V HN 0.323 nan 8.190 nan 0.000 0.485 36 K N 7.484 128.076 120.400 0.320 0.000 2.123 36 K HA 0.402 4.722 4.320 -0.000 0.000 0.259 36 K C -1.497 175.034 176.600 -0.115 0.000 0.960 36 K CA -2.134 54.197 56.287 0.073 0.000 0.872 36 K CB 1.639 34.215 32.500 0.126 0.000 1.079 36 K HN 0.301 nan 8.250 nan 0.000 0.440 37 P HA -0.101 nan 4.420 nan 0.000 0.219 37 P C -0.336 176.941 177.300 -0.038 0.000 1.150 37 P CA 1.281 64.329 63.100 -0.086 0.000 0.814 37 P CB 0.134 31.806 31.700 -0.048 0.000 0.787 38 Y N -3.256 116.950 120.300 -0.157 0.000 2.597 38 Y HA 0.708 5.257 4.550 -0.000 0.000 0.340 38 Y C -3.082 172.615 175.900 -0.339 0.000 1.097 38 Y CA -3.715 54.133 58.100 -0.420 0.000 1.037 38 Y CB -0.370 37.637 38.460 -0.755 0.000 1.305 38 Y HN -0.330 nan 8.280 nan 0.000 0.463 39 P HA 0.084 nan 4.420 nan 0.000 0.268 39 P C -0.839 176.361 177.300 -0.165 0.000 1.205 39 P CA 0.257 63.164 63.100 -0.323 0.000 0.771 39 P CB 0.444 31.951 31.700 -0.323 0.000 0.858 40 F N 1.575 121.427 119.950 -0.163 0.000 2.377 40 F HA 0.574 5.101 4.527 -0.000 0.000 0.328 40 F C -0.472 175.275 175.800 -0.087 0.000 1.094 40 F CA -1.394 56.582 58.000 -0.041 0.000 1.093 40 F CB 0.133 39.034 39.000 -0.166 0.000 1.214 40 F HN 0.177 nan 8.300 nan 0.000 0.518 41 Y N 1.091 121.529 120.300 0.229 0.000 2.360 41 Y HA 0.554 5.104 4.550 -0.000 0.000 0.337 41 Y C -0.240 175.786 175.900 0.212 0.000 1.039 41 Y CA -1.394 56.799 58.100 0.155 0.000 1.109 41 Y CB 1.774 40.312 38.460 0.129 0.000 1.201 41 Y HN 0.496 nan 8.280 nan 0.000 0.458 42 V N 4.303 124.360 119.914 0.239 0.000 2.465 42 V HA 0.163 4.283 4.120 -0.000 0.000 0.279 42 V C 0.908 177.090 176.094 0.148 0.000 1.045 42 V CA -0.604 61.807 62.300 0.186 0.000 0.938 42 V CB 1.488 33.385 31.823 0.123 0.000 0.986 42 V HN 0.869 nan 8.190 nan 0.000 0.467 43 K N 4.818 125.294 120.400 0.127 0.000 2.099 43 K HA 0.163 4.483 4.320 -0.000 0.000 0.203 43 K C 0.763 177.399 176.600 0.059 0.000 1.047 43 K CA 0.559 56.900 56.287 0.090 0.000 0.963 43 K CB 0.374 32.920 32.500 0.078 0.000 0.759 43 K HN 0.825 nan 8.250 nan 0.000 0.451 44 R N -1.785 118.760 120.500 0.075 0.000 2.741 44 R HA 0.448 4.788 4.340 -0.000 0.000 0.274 44 R C -1.354 174.999 176.300 0.089 0.000 1.029 44 R CA -0.978 55.147 56.100 0.042 0.000 0.880 44 R CB 0.935 31.220 30.300 -0.024 0.000 1.264 44 R HN 0.065 nan 8.270 nan 0.000 0.465 45 G N -0.082 108.739 108.800 0.034 0.000 2.620 45 G HA2 0.561 4.521 3.960 -0.000 0.000 0.301 45 G HA3 0.561 4.521 3.960 -0.000 0.000 0.301 45 G C -1.713 173.252 174.900 0.108 0.000 1.347 45 G CA -0.554 44.521 45.100 -0.042 0.000 0.971 45 G HN 0.690 nan 8.290 nan 0.000 0.488 46 E N 0.808 121.149 120.200 0.236 0.000 2.397 46 E HA 0.478 4.828 4.350 -0.000 0.000 0.293 46 E C 0.610 177.402 176.600 0.320 0.000 0.930 46 E CA 0.200 56.766 56.400 0.276 0.000 0.793 46 E CB 1.183 31.011 29.700 0.213 0.000 1.259 46 E HN 1.744 nan 8.360 nan 0.000 0.406 47 G N 2.944 111.885 108.800 0.235 0.000 2.591 47 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.298 47 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.298 47 G C 0.833 175.775 174.900 0.070 0.000 1.195 47 G CA 0.554 45.737 45.100 0.138 0.000 0.989 47 G HN 1.162 nan 8.290 nan 0.000 0.551 48 A N -0.712 122.018 122.820 -0.150 0.000 2.251 48 A HA 0.601 4.921 4.320 -0.000 0.000 0.209 48 A C 0.480 177.867 177.584 -0.327 0.000 1.187 48 A CA 1.045 52.893 52.037 -0.315 0.000 0.823 48 A CB -0.086 18.621 19.000 -0.489 0.000 0.846 48 A HN 0.733 nan 8.150 nan 0.000 0.486 49 Y N -1.244 119.108 120.300 0.087 0.000 2.487 49 Y HA 0.662 5.212 4.550 -0.000 0.000 0.337 49 Y C -0.088 175.660 175.900 -0.254 0.000 1.076 49 Y CA -1.099 56.921 58.100 -0.133 0.000 1.115 49 Y CB 1.228 39.471 38.460 -0.361 0.000 1.235 49 Y HN -0.058 nan 8.280 nan 0.000 0.468 50 L N 2.911 124.012 121.223 -0.203 0.000 2.341 50 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 50 L C -1.463 175.178 176.870 -0.381 0.000 1.005 50 L CA -0.914 53.780 54.840 -0.243 0.000 0.818 50 L CB 1.331 43.300 42.059 -0.151 0.000 1.259 50 L HN 0.600 nan 8.230 nan 0.000 0.418 51 Y N 0.723 120.963 120.300 -0.100 0.000 2.328 51 Y HA 0.328 4.878 4.550 -0.000 0.000 0.337 51 Y C 0.883 176.739 175.900 -0.074 0.000 0.966 51 Y CA -0.837 57.206 58.100 -0.095 0.000 1.136 51 Y CB 1.852 40.270 38.460 -0.071 0.000 1.170 51 Y HN 0.531 nan 8.280 nan 0.000 0.470 52 T N -1.793 112.757 114.554 -0.005 0.000 2.849 52 T HA 0.223 4.573 4.350 -0.000 0.000 0.284 52 T C 1.281 176.034 174.700 0.088 0.000 1.004 52 T CA -0.375 61.748 62.100 0.039 0.000 1.021 52 T CB 1.134 69.972 68.868 -0.050 0.000 1.013 52 T HN 0.574 nan 8.240 nan 0.000 0.527 53 V N -1.318 118.674 119.914 0.128 0.000 2.867 53 V HA -0.015 4.105 4.120 -0.000 0.000 0.260 53 V C 1.281 177.416 176.094 0.069 0.000 1.099 53 V CA 1.452 63.812 62.300 0.101 0.000 1.122 53 V CB -0.856 31.038 31.823 0.118 0.000 0.708 53 V HN 0.838 nan 8.190 nan 0.000 0.490 54 D N 0.554 120.992 120.400 0.064 0.000 2.349 54 D HA 0.289 4.928 4.640 -0.000 0.000 0.214 54 D C 1.792 178.101 176.300 0.015 0.000 1.063 54 D CA 1.031 55.055 54.000 0.039 0.000 0.847 54 D CB 0.897 41.724 40.800 0.046 0.000 0.933 54 D HN 0.716 nan 8.370 nan 0.000 0.513 55 G N 0.851 109.663 108.800 0.020 0.000 2.176 55 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.232 55 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.232 55 G C 0.594 175.489 174.900 -0.008 0.000 0.986 55 G CA 0.067 45.178 45.100 0.018 0.000 0.643 55 G HN 0.554 nan 8.290 nan 0.000 0.522 56 A N 0.037 122.820 122.820 -0.063 0.000 2.386 56 A HA 0.717 5.037 4.320 -0.000 0.000 0.248 56 A C 0.629 178.091 177.584 -0.203 0.000 1.082 56 A CA 0.610 52.565 52.037 -0.138 0.000 0.789 56 A CB 0.393 19.272 19.000 -0.201 0.000 1.025 56 A HN 0.740 nan 8.150 nan 0.000 0.490 57 R N 1.835 122.175 120.500 -0.266 0.000 2.360 57 R HA 0.588 4.928 4.340 -0.000 0.000 0.318 57 R C -1.551 174.553 176.300 -0.328 0.000 0.950 57 R CA -0.310 55.512 56.100 -0.462 0.000 0.837 57 R CB 0.524 30.525 30.300 -0.497 0.000 1.165 57 R HN 0.704 nan 8.270 nan 0.000 0.458 58 I N 4.417 124.801 120.570 -0.311 0.000 2.433 58 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 58 I C -0.033 176.113 176.117 0.048 0.000 1.001 58 I CA -1.241 59.966 61.300 -0.156 0.000 1.119 58 I CB 2.196 40.002 38.000 -0.323 0.000 1.289 58 I HN 0.254 nan 8.210 nan 0.000 0.438 59 V N 4.620 124.594 119.914 0.099 0.000 2.479 59 V HA -0.017 4.103 4.120 -0.000 0.000 0.281 59 V C 0.214 176.361 176.094 0.088 0.000 1.031 59 V CA 0.166 62.492 62.300 0.044 0.000 1.038 59 V CB 0.717 32.539 31.823 -0.001 0.000 0.981 59 V HN 0.641 nan 8.190 nan 0.000 0.478 60 D N 5.246 125.734 120.400 0.147 0.000 2.393 60 D HA 0.208 4.848 4.640 -0.000 0.000 0.232 60 D C 0.459 176.887 176.300 0.212 0.000 1.192 60 D CA -0.035 54.120 54.000 0.258 0.000 0.882 60 D CB 0.895 41.905 40.800 0.349 0.000 1.038 60 D HN 0.476 nan 8.370 nan 0.000 0.499 61 L N 3.430 124.676 121.223 0.038 0.000 2.791 61 L HA 0.124 4.464 4.340 -0.000 0.000 0.239 61 L C 1.316 178.130 176.870 -0.093 0.000 1.203 61 L CA -0.180 54.625 54.840 -0.059 0.000 1.002 61 L CB 0.616 42.579 42.059 -0.161 0.000 1.295 61 L HN 0.271 nan 8.230 nan 0.000 0.504 62 V N -0.981 118.843 119.914 -0.150 0.000 2.908 62 V HA 0.074 4.194 4.120 -0.000 0.000 0.240 62 V C 1.439 177.431 176.094 -0.170 0.000 1.117 62 V CA -0.037 62.073 62.300 -0.318 0.000 1.133 62 V CB 0.303 31.683 31.823 -0.739 0.000 0.857 62 V HN 0.373 nan 8.190 nan 0.000 0.478 63 L N 0.866 122.045 121.223 -0.074 0.000 3.739 63 L HA -0.303 4.037 4.340 -0.000 0.000 0.442 63 L C 0.934 177.686 176.870 -0.197 0.000 1.241 63 L CA 0.153 54.911 54.840 -0.137 0.000 0.819 63 L CB -2.134 39.838 42.059 -0.145 0.000 1.679 63 L HN 0.563 nan 8.230 nan 0.000 0.889 64 A N -1.098 121.635 122.820 -0.146 0.000 2.816 64 A HA -0.267 4.053 4.320 -0.000 0.000 0.270 64 A C 0.638 178.215 177.584 -0.012 0.000 1.413 64 A CA 1.391 53.390 52.037 -0.064 0.000 0.866 64 A CB -2.085 16.899 19.000 -0.026 0.000 1.032 64 A HN 1.452 nan 8.150 nan 0.000 0.642 65 Y N -4.278 115.983 120.300 -0.064 0.000 3.892 65 Y HA -0.031 4.519 4.550 -0.000 0.000 0.231 65 Y C 1.944 177.530 175.900 -0.524 0.000 1.266 65 Y CA 1.842 59.895 58.100 -0.079 0.000 1.856 65 Y CB -1.596 36.878 38.460 0.023 0.000 1.578 65 Y HN 2.197 nan 8.280 nan 0.000 0.669 66 G N -3.225 105.050 108.800 -0.875 0.000 2.796 66 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.198 66 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.198 66 G C -0.864 173.750 174.900 -0.477 0.000 1.062 66 G CA 0.016 44.482 45.100 -1.057 0.000 0.752 66 G HN 0.280 nan 8.290 nan 0.000 0.487 67 P HA 0.098 nan 4.420 nan 0.000 0.215 67 P C 1.233 178.419 177.300 -0.190 0.000 1.153 67 P CA 0.762 63.758 63.100 -0.174 0.000 0.853 67 P CB -0.089 31.539 31.700 -0.120 0.000 0.788 68 L N -0.034 121.047 121.223 -0.236 0.000 2.727 68 L HA 0.164 4.504 4.340 -0.000 0.000 0.237 68 L C 1.649 178.366 176.870 -0.255 0.000 1.370 68 L CA -0.084 54.597 54.840 -0.264 0.000 1.248 68 L CB -0.735 41.092 42.059 -0.386 0.000 1.556 68 L HN -0.007 nan 8.230 nan 0.000 0.420 69 I N 0.166 120.610 120.570 -0.210 0.000 2.756 69 I HA -0.203 3.966 4.170 -0.000 0.000 0.262 69 I C 1.675 177.649 176.117 -0.238 0.000 1.225 69 I CA 1.115 62.303 61.300 -0.186 0.000 1.472 69 I CB 0.306 38.226 38.000 -0.133 0.000 1.094 69 I HN 0.511 nan 8.210 nan 0.000 0.454 70 L N 0.701 121.762 121.223 -0.270 0.000 2.592 70 L HA 0.323 4.662 4.340 -0.000 0.000 0.227 70 L C 1.073 177.820 176.870 -0.204 0.000 1.127 70 L CA 0.271 54.915 54.840 -0.328 0.000 0.884 70 L CB -0.883 40.863 42.059 -0.522 0.000 1.065 70 L HN 0.443 nan 8.230 nan 0.000 0.457 71 G N -0.141 108.511 108.800 -0.247 0.000 2.725 71 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 71 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 71 G C -0.491 174.281 174.900 -0.214 0.000 1.357 71 G CA -0.785 44.169 45.100 -0.244 0.000 0.866 71 G HN 0.238 nan 8.290 nan 0.000 0.548 72 H N 0.777 119.843 119.070 -0.007 0.000 2.582 72 H HA 0.318 4.874 4.556 -0.000 0.000 0.345 72 H C 1.202 176.566 175.328 0.059 0.000 1.104 72 H CA 0.513 56.579 56.048 0.029 0.000 1.390 72 H CB 1.181 30.978 29.762 0.057 0.000 1.461 72 H HN 0.806 nan 8.280 nan 0.000 0.551 73 K N 2.282 122.788 120.400 0.176 0.000 3.311 73 K HA -0.272 4.048 4.320 -0.000 0.000 0.270 73 K C -0.580 176.088 176.600 0.113 0.000 0.927 73 K CA 0.290 56.653 56.287 0.127 0.000 0.706 73 K CB -1.317 31.247 32.500 0.107 0.000 1.418 73 K HN 0.668 nan 8.250 nan 0.000 0.459 74 H N 0.068 119.151 119.070 0.022 0.000 3.070 74 H HA 0.037 4.593 4.556 -0.000 0.000 0.313 74 H C -1.649 173.687 175.328 0.013 0.000 0.997 74 H CA -0.939 55.111 56.048 0.003 0.000 1.438 74 H CB 0.996 30.745 29.762 -0.023 0.000 1.455 74 H HN 0.107 nan 8.280 nan 0.000 0.575 75 P HA -0.262 nan 4.420 nan 0.000 0.215 75 P C 1.500 178.739 177.300 -0.102 0.000 1.163 75 P CA 1.816 64.801 63.100 -0.192 0.000 0.894 75 P CB 0.141 31.697 31.700 -0.240 0.000 0.791 76 R N -0.205 120.229 120.500 -0.109 0.000 2.096 76 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 76 R C 1.828 178.184 176.300 0.094 0.000 1.127 76 R CA 1.452 57.579 56.100 0.045 0.000 0.968 76 R CB -0.687 29.691 30.300 0.130 0.000 0.861 76 R HN 0.048 nan 8.270 nan 0.000 0.440 77 V N 1.373 121.386 119.914 0.165 0.000 2.453 77 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 77 V C 2.261 178.408 176.094 0.088 0.000 1.048 77 V CA 1.290 63.662 62.300 0.120 0.000 1.049 77 V CB -0.478 31.430 31.823 0.141 0.000 0.672 77 V HN 0.331 nan 8.190 nan 0.000 0.457 78 L N 0.741 122.014 121.223 0.083 0.000 2.042 78 L HA -0.169 4.170 4.340 -0.000 0.000 0.210 78 L C 2.402 179.297 176.870 0.041 0.000 1.076 78 L CA 2.370 57.249 54.840 0.066 0.000 0.749 78 L CB -0.706 41.381 42.059 0.046 0.000 0.893 78 L HN 0.375 nan 8.230 nan 0.000 0.432 79 E N -0.010 120.207 120.200 0.028 0.000 2.077 79 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 79 E C 2.094 178.705 176.600 0.019 0.000 0.989 79 E CA 1.588 58.000 56.400 0.019 0.000 0.800 79 E CB -0.450 29.257 29.700 0.012 0.000 0.746 79 E HN 0.562 nan 8.360 nan 0.000 0.452 80 A N 0.034 122.866 122.820 0.020 0.000 1.902 80 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 80 A C 2.518 180.098 177.584 -0.007 0.000 1.181 80 A CA 1.663 53.706 52.037 0.009 0.000 0.623 80 A CB -0.757 18.247 19.000 0.007 0.000 0.818 80 A HN 0.197 nan 8.150 nan 0.000 0.443 81 V N 0.313 120.221 119.914 -0.011 0.000 2.358 81 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 81 V C 2.550 178.637 176.094 -0.011 0.000 1.047 81 V CA 2.035 64.308 62.300 -0.046 0.000 1.035 81 V CB -0.718 31.087 31.823 -0.029 0.000 0.658 81 V HN 0.521 nan 8.190 nan 0.000 0.452 82 E N 0.234 120.443 120.200 0.014 0.000 2.058 82 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 82 E C 2.212 178.833 176.600 0.035 0.000 0.997 82 E CA 1.513 57.929 56.400 0.027 0.000 0.801 82 E CB -0.220 29.496 29.700 0.026 0.000 0.746 82 E HN 0.703 nan 8.360 nan 0.000 0.450 83 E N 0.518 120.735 120.200 0.028 0.000 2.110 83 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 83 E C 1.997 178.623 176.600 0.043 0.000 0.988 83 E CA 0.926 57.346 56.400 0.033 0.000 0.804 83 E CB -0.067 29.647 29.700 0.024 0.000 0.745 83 E HN 0.200 nan 8.360 nan 0.000 0.458 84 A N 0.838 123.676 122.820 0.031 0.000 1.930 84 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 84 A C 2.080 179.714 177.584 0.084 0.000 1.175 84 A CA 0.769 52.830 52.037 0.040 0.000 0.627 84 A CB -0.360 18.634 19.000 -0.011 0.000 0.815 84 A HN 0.152 nan 8.150 nan 0.000 0.443 85 L N -0.283 120.993 121.223 0.089 0.000 2.083 85 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 85 L C 2.728 179.730 176.870 0.220 0.000 1.083 85 L CA 1.806 56.756 54.840 0.182 0.000 0.752 85 L CB -0.689 41.435 42.059 0.109 0.000 0.899 85 L HN 0.374 nan 8.230 nan 0.000 0.433 86 A N -1.201 121.701 122.820 0.137 0.000 2.121 86 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 86 A C 2.208 179.854 177.584 0.104 0.000 1.154 86 A CA 1.031 53.138 52.037 0.116 0.000 0.679 86 A CB -0.443 18.603 19.000 0.076 0.000 0.795 86 A HN 0.436 nan 8.150 nan 0.000 0.458 87 R N -0.810 119.759 120.500 0.116 0.000 2.359 87 R HA 0.328 4.668 4.340 -0.000 0.000 0.231 87 R C 0.515 176.916 176.300 0.169 0.000 0.913 87 R CA 0.448 56.620 56.100 0.121 0.000 1.075 87 R CB 0.000 30.380 30.300 0.133 0.000 1.087 87 R HN 0.584 nan 8.270 nan 0.000 0.515 88 G N 0.709 109.581 108.800 0.120 0.000 2.692 88 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 88 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 88 G C -0.298 174.563 174.900 -0.064 0.000 1.243 88 G CA -0.312 44.759 45.100 -0.048 0.000 0.782 88 G HN 0.481 nan 8.290 nan 0.000 0.625 89 W N 0.260 121.456 121.300 -0.174 0.000 2.998 89 W HA 0.727 5.387 4.660 -0.000 0.000 0.336 89 W C 0.114 176.285 176.519 -0.581 0.000 1.112 89 W CA -0.371 56.788 57.345 -0.311 0.000 1.682 89 W CB 0.471 29.886 29.460 -0.075 0.000 1.065 89 W HN 0.841 nan 8.180 nan 0.000 0.570 90 L N 0.967 121.819 121.223 -0.619 0.000 2.476 90 L HA 0.385 4.725 4.340 -0.000 0.000 0.269 90 L C -0.517 176.147 176.870 -0.344 0.000 0.965 90 L CA -1.155 53.394 54.840 -0.485 0.000 0.845 90 L CB 0.963 42.967 42.059 -0.091 0.000 1.259 90 L HN 0.005 nan 8.230 nan 0.000 0.403 91 Y N 2.826 123.049 120.300 -0.128 0.000 2.506 91 Y HA 0.497 5.046 4.550 -0.000 0.000 0.287 91 Y C 1.893 177.746 175.900 -0.078 0.000 1.147 91 Y CA 0.122 58.159 58.100 -0.105 0.000 1.241 91 Y CB -0.238 38.169 38.460 -0.089 0.000 1.279 91 Y HN 0.702 nan 8.280 nan 0.000 0.527 92 G N -0.238 108.618 108.800 0.094 0.000 2.213 92 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.236 92 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.236 92 G C 0.270 175.191 174.900 0.035 0.000 0.991 92 G CA 0.075 45.193 45.100 0.031 0.000 0.629 92 G HN 0.731 nan 8.290 nan 0.000 0.517 93 A N 0.155 123.017 122.820 0.069 0.000 2.479 93 A HA 0.918 5.238 4.320 -0.000 0.000 0.296 93 A C -2.510 175.118 177.584 0.074 0.000 1.121 93 A CA -0.955 51.107 52.037 0.042 0.000 0.743 93 A CB 1.221 20.225 19.000 0.006 0.000 1.323 93 A HN 0.284 nan 8.150 nan 0.000 0.415 94 P HA 0.362 nan 4.420 nan 0.000 0.266 94 P C 0.215 177.555 177.300 0.067 0.000 1.195 94 P CA 0.425 63.562 63.100 0.062 0.000 0.768 94 P CB 0.702 32.426 31.700 0.040 0.000 0.838 95 G N 1.018 109.884 108.800 0.109 0.000 2.932 95 G HA2 0.274 4.234 3.960 -0.000 0.000 0.283 95 G HA3 0.274 4.234 3.960 -0.000 0.000 0.283 95 G C 0.286 175.227 174.900 0.067 0.000 1.336 95 G CA -0.465 44.703 45.100 0.114 0.000 1.056 95 G HN 0.428 nan 8.290 nan 0.000 0.522 96 E N -0.648 119.586 120.200 0.058 0.000 2.122 96 E HA 0.033 4.383 4.350 -0.000 0.000 0.190 96 E C 2.671 179.294 176.600 0.038 0.000 0.977 96 E CA 0.741 57.163 56.400 0.038 0.000 0.820 96 E CB 0.088 29.802 29.700 0.022 0.000 0.770 96 E HN 0.422 nan 8.360 nan 0.000 0.462 97 A N 2.324 125.165 122.820 0.035 0.000 1.933 97 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 97 A C 2.103 179.686 177.584 -0.002 0.000 1.175 97 A CA 1.837 53.878 52.037 0.007 0.000 0.628 97 A CB -0.679 18.310 19.000 -0.019 0.000 0.814 97 A HN 0.406 nan 8.150 nan 0.000 0.444 98 E N 0.015 120.218 120.200 0.004 0.000 2.118 98 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 98 E C 1.660 178.351 176.600 0.153 0.000 0.992 98 E CA 1.687 58.107 56.400 0.033 0.000 0.804 98 E CB -0.642 29.109 29.700 0.085 0.000 0.741 98 E HN 0.318 nan 8.360 nan 0.000 0.458 99 V N 1.662 121.639 119.914 0.106 0.000 2.358 99 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 99 V C 2.519 178.669 176.094 0.092 0.000 1.047 99 V CA 1.591 63.951 62.300 0.100 0.000 1.035 99 V CB -0.530 31.330 31.823 0.062 0.000 0.658 99 V HN 0.279 nan 8.190 nan 0.000 0.452 100 L N -0.841 120.422 121.223 0.067 0.000 2.056 100 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 100 L C 2.449 179.365 176.870 0.076 0.000 1.078 100 L CA 1.099 55.973 54.840 0.056 0.000 0.749 100 L CB -0.570 41.510 42.059 0.035 0.000 0.901 100 L HN 0.328 nan 8.230 nan 0.000 0.433 101 L N 0.272 121.545 121.223 0.083 0.000 2.046 101 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 101 L C 2.643 179.659 176.870 0.244 0.000 1.077 101 L CA 1.988 56.893 54.840 0.108 0.000 0.747 101 L CB -0.759 41.303 42.059 0.006 0.000 0.896 101 L HN 0.141 nan 8.230 nan 0.000 0.432 102 A N -0.638 122.386 122.820 0.341 0.000 1.883 102 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 102 A C 2.142 179.809 177.584 0.138 0.000 1.186 102 A CA 1.917 54.123 52.037 0.281 0.000 0.624 102 A CB -0.694 18.433 19.000 0.211 0.000 0.822 102 A HN 0.615 nan 8.150 nan 0.000 0.444 103 E N -0.561 119.701 120.200 0.103 0.000 2.110 103 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 103 E C 2.108 178.735 176.600 0.045 0.000 0.988 103 E CA 1.421 57.853 56.400 0.054 0.000 0.804 103 E CB -0.139 29.582 29.700 0.036 0.000 0.745 103 E HN 0.681 nan 8.360 nan 0.000 0.458 104 K N 1.011 121.456 120.400 0.076 0.000 2.031 104 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 104 K C 2.127 178.842 176.600 0.192 0.000 1.049 104 K CA 0.885 57.220 56.287 0.080 0.000 0.939 104 K CB -0.003 32.568 32.500 0.118 0.000 0.717 104 K HN 0.038 nan 8.250 nan 0.000 0.438 105 I N 1.242 121.963 120.570 0.252 0.000 2.179 105 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 105 I C 2.237 178.548 176.117 0.323 0.000 1.088 105 I CA 1.194 62.737 61.300 0.405 0.000 1.357 105 I CB -0.224 37.972 38.000 0.327 0.000 1.051 105 I HN 0.198 nan 8.210 nan 0.000 0.409 106 L N 0.404 121.724 121.223 0.162 0.000 2.083 106 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 106 L C 2.641 179.544 176.870 0.056 0.000 1.083 106 L CA 1.511 56.404 54.840 0.088 0.000 0.752 106 L CB -1.074 41.004 42.059 0.032 0.000 0.899 106 L HN 0.330 nan 8.230 nan 0.000 0.433 107 G N -1.259 107.538 108.800 -0.004 0.000 2.462 107 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 107 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 107 G C 1.196 176.017 174.900 -0.131 0.000 1.121 107 G CA 0.672 45.700 45.100 -0.121 0.000 0.758 107 G HN 0.305 nan 8.290 nan 0.000 0.559 108 Y N -0.580 119.785 120.300 0.109 0.000 2.479 108 Y HA 0.162 4.712 4.550 -0.000 0.000 0.283 108 Y C 2.655 178.551 175.900 -0.007 0.000 1.109 108 Y CA 0.626 58.767 58.100 0.067 0.000 1.239 108 Y CB 0.192 38.731 38.460 0.132 0.000 1.108 108 Y HN 0.145 nan 8.280 nan 0.000 0.548 109 V N -2.368 117.649 119.914 0.171 0.000 3.635 109 V HA 0.365 4.485 4.120 -0.000 0.000 0.266 109 V C 0.264 176.387 176.094 0.048 0.000 1.316 109 V CA 0.483 62.826 62.300 0.071 0.000 1.060 109 V CB 0.555 32.414 31.823 0.059 0.000 0.820 109 V HN 0.112 nan 8.190 nan 0.000 0.447 110 K N 1.279 121.708 120.400 0.048 0.000 3.009 110 K HA 0.333 4.653 4.320 -0.000 0.000 0.228 110 K C -0.190 176.415 176.600 0.009 0.000 1.307 110 K CA -0.278 56.020 56.287 0.019 0.000 0.882 110 K CB 0.494 32.998 32.500 0.007 0.000 1.275 110 K HN 0.388 nan 8.250 nan 0.000 0.551 111 R N 0.864 121.368 120.500 0.006 0.000 2.502 111 R HA 0.149 4.489 4.340 -0.000 0.000 0.292 111 R C 0.801 177.096 176.300 -0.009 0.000 0.998 111 R CA 2.263 58.360 56.100 -0.006 0.000 1.056 111 R CB 0.115 30.409 30.300 -0.010 0.000 0.939 111 R HN 0.823 nan 8.270 nan 0.000 0.411 112 G N 2.335 111.128 108.800 -0.011 0.000 2.179 112 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 112 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 112 G C 0.362 175.253 174.900 -0.016 0.000 0.977 112 G CA 0.104 45.196 45.100 -0.012 0.000 0.641 112 G HN 0.942 nan 8.290 nan 0.000 0.533 113 G N -1.066 107.723 108.800 -0.019 0.000 2.543 113 G HA2 0.738 4.698 3.960 -0.000 0.000 0.267 113 G HA3 0.738 4.698 3.960 -0.000 0.000 0.267 113 G C 0.005 174.884 174.900 -0.036 0.000 1.406 113 G CA -0.432 44.651 45.100 -0.029 0.000 1.048 113 G HN 0.418 nan 8.290 nan 0.000 0.548 114 M N -0.594 118.975 119.600 -0.051 0.000 2.658 114 M HA 0.562 5.042 4.480 -0.000 0.000 0.295 114 M C -1.168 175.069 176.300 -0.104 0.000 1.248 114 M CA -0.561 54.698 55.300 -0.069 0.000 0.843 114 M CB 2.867 35.429 32.600 -0.063 0.000 1.749 114 M HN 0.400 nan 8.290 nan 0.000 0.464 115 I N 0.680 121.153 120.570 -0.162 0.000 2.865 115 I HA 0.646 4.816 4.170 -0.000 0.000 0.302 115 I C -1.470 174.448 176.117 -0.332 0.000 1.140 115 I CA -0.699 60.441 61.300 -0.267 0.000 1.021 115 I CB 2.261 40.027 38.000 -0.390 0.000 1.233 115 I HN 0.677 nan 8.210 nan 0.000 0.427 116 R N 5.124 125.424 120.500 -0.334 0.000 2.483 116 R HA 0.454 4.794 4.340 -0.000 0.000 0.303 116 R C -2.216 173.955 176.300 -0.214 0.000 0.987 116 R CA -0.436 55.521 56.100 -0.238 0.000 0.881 116 R CB 0.584 30.814 30.300 -0.117 0.000 1.177 116 R HN 0.309 nan 8.270 nan 0.000 0.451 117 F N 4.778 124.744 119.950 0.026 0.000 2.410 117 F HA 0.412 4.939 4.527 -0.000 0.000 0.348 117 F C 0.904 176.732 175.800 0.046 0.000 1.106 117 F CA -0.157 57.868 58.000 0.042 0.000 1.163 117 F CB 1.134 40.165 39.000 0.051 0.000 1.129 117 F HN 0.376 nan 8.300 nan 0.000 0.516 118 V N 0.143 120.212 119.914 0.257 0.000 3.165 118 V HA 0.549 4.669 4.120 -0.000 0.000 0.307 118 V C 0.151 176.349 176.094 0.173 0.000 1.281 118 V CA -0.903 61.500 62.300 0.172 0.000 1.056 118 V CB 1.929 33.816 31.823 0.107 0.000 1.178 118 V HN 0.636 nan 8.190 nan 0.000 0.475 119 N N 0.802 119.589 118.700 0.144 0.000 2.205 119 N HA 0.241 4.981 4.740 -0.000 0.000 0.201 119 N C 0.181 175.745 175.510 0.089 0.000 1.128 119 N CA 0.872 53.998 53.050 0.127 0.000 0.867 119 N CB 0.819 39.399 38.487 0.155 0.000 0.996 119 N HN 0.960 nan 8.380 nan 0.000 0.503 120 S N -2.756 112.998 115.700 0.090 0.000 2.611 120 S HA 0.395 4.865 4.470 -0.000 0.000 0.270 120 S C 0.803 175.452 174.600 0.082 0.000 1.131 120 S CA -0.412 57.833 58.200 0.076 0.000 0.826 120 S CB 0.816 64.056 63.200 0.068 0.000 1.095 120 S HN -0.046 nan 8.310 nan 0.000 0.461 121 G N 0.720 109.568 108.800 0.080 0.000 2.422 121 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.218 121 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.218 121 G C 1.052 175.998 174.900 0.078 0.000 1.140 121 G CA 1.503 46.652 45.100 0.082 0.000 0.775 121 G HN 0.796 nan 8.290 nan 0.000 0.545 122 T N 0.821 115.423 114.554 0.080 0.000 2.708 122 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 122 T C 2.193 176.940 174.700 0.080 0.000 1.037 122 T CA 1.446 63.617 62.100 0.119 0.000 1.146 122 T CB -0.154 68.787 68.868 0.122 0.000 0.865 122 T HN 0.439 nan 8.240 nan 0.000 0.435 123 E N 0.808 121.040 120.200 0.052 0.000 2.106 123 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 123 E C 2.544 179.143 176.600 -0.002 0.000 0.984 123 E CA 0.887 57.296 56.400 0.015 0.000 0.806 123 E CB -0.172 29.558 29.700 0.050 0.000 0.750 123 E HN 0.472 nan 8.360 nan 0.000 0.458 124 A N 1.435 124.276 122.820 0.034 0.000 1.858 124 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 124 A C 2.516 180.109 177.584 0.014 0.000 1.190 124 A CA 2.286 54.344 52.037 0.034 0.000 0.617 124 A CB -1.125 17.915 19.000 0.066 0.000 0.827 124 A HN 0.396 nan 8.150 nan 0.000 0.443 125 T N -2.648 111.932 114.554 0.042 0.000 2.867 125 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 125 T C 1.903 176.587 174.700 -0.026 0.000 1.057 125 T CA 1.654 63.788 62.100 0.057 0.000 1.136 125 T CB -0.410 68.555 68.868 0.162 0.000 0.874 125 T HN 0.370 nan 8.240 nan 0.000 0.466 126 M N 1.244 120.708 119.600 -0.227 0.000 2.117 126 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 126 M C 2.206 178.377 176.300 -0.215 0.000 1.065 126 M CA 1.779 56.750 55.300 -0.549 0.000 1.114 126 M CB -0.527 31.671 32.600 -0.671 0.000 1.361 126 M HN 0.271 nan 8.290 nan 0.000 0.408 127 T N 0.794 115.277 114.554 -0.119 0.000 2.777 127 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 127 T C 1.802 176.475 174.700 -0.045 0.000 1.040 127 T CA 1.424 63.487 62.100 -0.061 0.000 1.141 127 T CB -0.503 68.341 68.868 -0.041 0.000 0.868 127 T HN 0.579 nan 8.240 nan 0.000 0.444 128 A N 1.068 123.864 122.820 -0.040 0.000 1.940 128 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 128 A C 2.285 179.854 177.584 -0.025 0.000 1.176 128 A CA 1.226 53.246 52.037 -0.029 0.000 0.631 128 A CB -0.771 18.217 19.000 -0.021 0.000 0.814 128 A HN 0.525 nan 8.150 nan 0.000 0.446 129 I N -1.450 119.102 120.570 -0.030 0.000 2.286 129 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 129 I C 2.706 178.820 176.117 -0.006 0.000 1.104 129 I CA 1.389 62.679 61.300 -0.016 0.000 1.397 129 I CB -0.264 37.737 38.000 0.002 0.000 1.072 129 I HN 0.348 nan 8.210 nan 0.000 0.417 130 R N 0.769 121.260 120.500 -0.016 0.000 2.115 130 R HA -0.191 4.148 4.340 -0.000 0.000 0.230 130 R C 2.294 178.609 176.300 0.025 0.000 1.111 130 R CA 1.229 57.333 56.100 0.006 0.000 0.976 130 R CB -0.113 30.191 30.300 0.007 0.000 0.870 130 R HN 0.213 nan 8.270 nan 0.000 0.445 131 L N 0.442 121.675 121.223 0.016 0.000 2.056 131 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 131 L C 2.186 179.094 176.870 0.064 0.000 1.078 131 L CA 2.056 56.914 54.840 0.030 0.000 0.749 131 L CB -0.641 41.416 42.059 -0.003 0.000 0.901 131 L HN 0.192 nan 8.230 nan 0.000 0.433 132 A N -0.435 122.412 122.820 0.045 0.000 1.898 132 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 132 A C 2.426 180.072 177.584 0.104 0.000 1.181 132 A CA 1.697 53.779 52.037 0.076 0.000 0.620 132 A CB -0.518 18.506 19.000 0.039 0.000 0.819 132 A HN 0.472 nan 8.150 nan 0.000 0.442 133 R N -0.891 119.646 120.500 0.062 0.000 2.081 133 R HA -0.099 4.240 4.340 -0.000 0.000 0.235 133 R C 2.363 178.697 176.300 0.058 0.000 1.131 133 R CA 1.230 57.359 56.100 0.049 0.000 0.960 133 R CB -0.586 29.731 30.300 0.027 0.000 0.856 133 R HN 0.537 nan 8.270 nan 0.000 0.436 134 G N -0.367 108.475 108.800 0.072 0.000 2.408 134 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 134 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 134 G C 1.212 176.166 174.900 0.089 0.000 1.150 134 G CA 0.403 45.545 45.100 0.070 0.000 0.776 134 G HN 0.328 nan 8.290 nan 0.000 0.542 135 Y N 2.334 122.638 120.300 0.006 0.000 2.200 135 Y HA -0.140 4.410 4.550 -0.000 0.000 0.290 135 Y C 3.088 178.993 175.900 0.009 0.000 1.137 135 Y CA 2.286 60.389 58.100 0.006 0.000 1.163 135 Y CB -0.199 38.264 38.460 0.005 0.000 0.988 135 Y HN 0.272 nan 8.280 nan 0.000 0.518 136 T N -4.072 110.509 114.554 0.046 0.000 3.035 136 T HA 0.245 4.595 4.350 -0.000 0.000 0.259 136 T C 1.740 176.411 174.700 -0.048 0.000 1.078 136 T CA 0.633 62.715 62.100 -0.031 0.000 1.132 136 T CB -0.417 68.496 68.868 0.075 0.000 0.900 136 T HN 0.621 nan 8.240 nan 0.000 0.480 137 G N 1.787 110.576 108.800 -0.019 0.000 2.136 137 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.242 137 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.242 137 G C 0.086 174.985 174.900 -0.003 0.000 0.989 137 G CA 0.048 45.138 45.100 -0.017 0.000 0.682 137 G HN 0.724 nan 8.290 nan 0.000 0.522 138 R N -0.607 119.899 120.500 0.009 0.000 2.758 138 R HA 0.612 4.952 4.340 -0.000 0.000 0.265 138 R C 0.234 176.538 176.300 0.006 0.000 1.016 138 R CA -0.667 55.439 56.100 0.009 0.000 1.040 138 R CB 0.820 31.130 30.300 0.016 0.000 1.152 138 R HN 0.013 nan 8.270 nan 0.000 0.503 139 D N 0.352 120.751 120.400 -0.003 0.000 2.394 139 D HA 0.091 4.731 4.640 -0.000 0.000 0.226 139 D C 0.451 176.733 176.300 -0.029 0.000 0.990 139 D CA 0.577 54.571 54.000 -0.011 0.000 0.902 139 D CB 0.246 41.039 40.800 -0.012 0.000 1.038 139 D HN 0.239 nan 8.370 nan 0.000 0.499 140 L N 1.814 123.009 121.223 -0.046 0.000 2.453 140 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 140 L C 0.080 176.893 176.870 -0.096 0.000 1.182 140 L CA 0.210 54.995 54.840 -0.091 0.000 0.858 140 L CB 0.782 42.764 42.059 -0.129 0.000 1.120 140 L HN -0.109 nan 8.230 nan 0.000 0.474 141 I N 4.152 124.649 120.570 -0.120 0.000 2.498 141 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 141 I C -0.410 175.597 176.117 -0.183 0.000 1.032 141 I CA -0.631 60.597 61.300 -0.120 0.000 1.073 141 I CB 1.975 39.925 38.000 -0.083 0.000 1.251 141 I HN 0.356 nan 8.210 nan 0.000 0.426 142 L N 8.243 129.338 121.223 -0.213 0.000 2.296 142 L HA 0.552 4.892 4.340 -0.000 0.000 0.286 142 L C -0.291 176.353 176.870 -0.377 0.000 1.023 142 L CA 0.012 54.664 54.840 -0.314 0.000 0.812 142 L CB 0.740 42.587 42.059 -0.352 0.000 1.223 142 L HN 0.716 nan 8.230 nan 0.000 0.421 143 K N 2.890 123.032 120.400 -0.429 0.000 2.433 143 K HA 0.689 5.009 4.320 -0.000 0.000 0.252 143 K C -1.528 174.728 176.600 -0.574 0.000 1.015 143 K CA -0.721 55.344 56.287 -0.369 0.000 0.860 143 K CB 1.459 33.925 32.500 -0.058 0.000 1.359 143 K HN 0.287 nan 8.250 nan 0.000 0.452 144 F N 0.567 120.657 119.950 0.234 0.000 2.469 144 F HA 0.213 4.740 4.527 -0.000 0.000 0.332 144 F C -0.043 175.840 175.800 0.138 0.000 1.103 144 F CA -0.737 57.400 58.000 0.227 0.000 0.979 144 F CB 1.573 40.813 39.000 0.400 0.000 1.137 144 F HN 0.688 nan 8.300 nan 0.000 0.463 145 D N 1.367 121.913 120.400 0.243 0.000 2.531 145 D HA 0.334 4.974 4.640 -0.000 0.000 0.239 145 D C 1.070 177.421 176.300 0.085 0.000 1.144 145 D CA 2.152 56.225 54.000 0.122 0.000 0.869 145 D CB 0.483 41.338 40.800 0.092 0.000 1.160 145 D HN 0.800 nan 8.370 nan 0.000 0.484 146 G N 2.644 111.463 108.800 0.032 0.000 2.258 146 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.233 146 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.233 146 G C 0.647 175.516 174.900 -0.051 0.000 1.006 146 G CA 0.062 45.148 45.100 -0.023 0.000 0.620 146 G HN 0.735 nan 8.290 nan 0.000 0.511 147 C N 1.064 120.346 119.300 -0.030 0.000 2.653 147 C HA 0.521 4.981 4.460 -0.000 0.000 0.421 147 C C 0.396 175.239 174.990 -0.246 0.000 1.334 147 C CA -0.056 58.884 59.018 -0.129 0.000 1.885 147 C CB -0.531 27.226 27.740 0.028 0.000 2.645 147 C HN 0.401 nan 8.230 nan 0.000 0.601 148 Y N 3.329 123.350 120.300 -0.465 0.000 2.352 148 Y HA 0.402 4.952 4.550 -0.000 0.000 0.339 148 Y C 0.838 176.411 175.900 -0.545 0.000 0.992 148 Y CA -0.302 57.560 58.100 -0.396 0.000 1.100 148 Y CB 0.446 38.787 38.460 -0.199 0.000 1.192 148 Y HN 0.771 nan 8.280 nan 0.000 0.458 149 H N 3.974 122.657 119.070 -0.646 0.000 2.916 149 H HA 0.433 4.989 4.556 -0.000 0.000 0.262 149 H C 0.681 175.650 175.328 -0.598 0.000 1.178 149 H CA 0.296 56.065 56.048 -0.465 0.000 1.090 149 H CB 0.593 30.235 29.762 -0.202 0.000 1.657 149 H HN 0.892 nan 8.280 nan 0.000 0.601 150 G N 0.954 109.039 108.800 -1.192 0.000 2.434 150 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.671 150 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.671 150 G C -0.395 174.331 174.900 -0.291 0.000 1.280 150 G CA -0.375 44.383 45.100 -0.569 0.000 0.975 150 G HN 0.244 nan 8.290 nan 0.000 0.510 151 S N -0.088 115.613 115.700 0.002 0.000 2.912 151 S HA 0.610 5.080 4.470 -0.000 0.000 0.184 151 S C -0.101 174.554 174.600 0.092 0.000 1.390 151 S CA 0.253 58.486 58.200 0.055 0.000 1.088 151 S CB -0.249 63.016 63.200 0.109 0.000 1.284 151 S HN 1.721 nan 8.310 nan 0.000 0.502 152 H N -2.185 116.890 119.070 0.008 0.000 2.717 152 H HA 0.629 5.185 4.556 -0.000 0.000 0.366 152 H C -0.100 175.235 175.328 0.011 0.000 1.132 152 H CA -0.904 55.152 56.048 0.013 0.000 1.180 152 H CB 0.482 30.249 29.762 0.008 0.000 1.678 152 H HN -0.031 nan 8.280 nan 0.000 0.537 153 D N 2.705 123.173 120.400 0.113 0.000 2.192 153 D HA -0.314 4.326 4.640 -0.000 0.000 0.189 153 D C 2.138 178.450 176.300 0.020 0.000 1.007 153 D CA 2.799 56.830 54.000 0.053 0.000 0.859 153 D CB -0.631 40.210 40.800 0.068 0.000 0.936 153 D HN 0.762 nan 8.370 nan 0.000 0.447 154 A N 0.035 122.918 122.820 0.105 0.000 2.076 154 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 154 A C 2.147 179.700 177.584 -0.050 0.000 1.160 154 A CA 1.948 54.019 52.037 0.056 0.000 0.653 154 A CB -0.381 18.713 19.000 0.156 0.000 0.801 154 A HN 0.301 nan 8.150 nan 0.000 0.455 155 V N -3.976 115.813 119.914 -0.209 0.000 3.528 155 V HA 0.375 4.495 4.120 -0.000 0.000 0.294 155 V C 0.705 176.733 176.094 -0.110 0.000 1.404 155 V CA 0.027 62.226 62.300 -0.168 0.000 1.065 155 V CB -0.394 31.290 31.823 -0.231 0.000 0.904 155 V HN 0.291 nan 8.190 nan 0.000 0.435 156 L N 2.244 123.406 121.223 -0.101 0.000 2.796 156 L HA 0.468 4.808 4.340 -0.000 0.000 0.235 156 L C -0.548 176.307 176.870 -0.024 0.000 1.344 156 L CA -0.003 54.812 54.840 -0.041 0.000 1.245 156 L CB 0.214 42.257 42.059 -0.027 0.000 1.556 156 L HN 0.181 nan 8.230 nan 0.000 0.423 157 V N -0.347 119.552 119.914 -0.025 0.000 2.962 157 V HA 0.881 5.000 4.120 -0.000 0.000 0.313 157 V C -0.125 175.959 176.094 -0.018 0.000 1.099 157 V CA -0.694 61.591 62.300 -0.024 0.000 0.971 157 V CB 2.035 33.835 31.823 -0.039 0.000 1.028 157 V HN 0.362 nan 8.190 nan 0.000 0.430 158 A N 1.539 124.347 122.820 -0.019 0.000 2.556 158 A HA 0.954 5.274 4.320 -0.000 0.000 0.294 158 A C -0.267 177.306 177.584 -0.019 0.000 1.091 158 A CA -0.288 51.742 52.037 -0.012 0.000 0.704 158 A CB 1.578 20.575 19.000 -0.004 0.000 1.300 158 A HN 1.704 nan 8.150 nan 0.000 0.406 159 A N 0.566 123.378 122.820 -0.013 0.000 2.488 159 A HA 0.525 4.845 4.320 -0.000 0.000 0.249 159 A C 1.002 178.581 177.584 -0.008 0.000 1.083 159 A CA 0.503 52.532 52.037 -0.014 0.000 0.768 159 A CB -0.457 18.543 19.000 -0.001 0.000 1.017 159 A HN 2.029 nan 8.150 nan 0.000 0.496 168 V N -0.650 119.247 119.914 -0.029 0.000 2.823 168 V HA 0.947 5.067 4.120 -0.000 0.000 0.312 168 V C -2.512 173.573 176.094 -0.016 0.000 1.072 168 V CA -2.940 59.349 62.300 -0.019 0.000 0.937 168 V CB 2.280 34.096 31.823 -0.012 0.000 1.013 168 V HN 0.642 nan 8.190 nan 0.000 0.430 169 P HA 0.162 nan 4.420 nan 0.000 0.268 169 P C 0.642 177.939 177.300 -0.005 0.000 1.204 169 P CA 0.402 63.497 63.100 -0.008 0.000 0.768 169 P CB 0.922 32.620 31.700 -0.003 0.000 0.842 170 T N -1.512 113.040 114.554 -0.004 0.000 3.086 170 T HA 0.165 4.515 4.350 -0.000 0.000 0.250 170 T C 0.594 175.295 174.700 0.002 0.000 1.074 170 T CA -0.096 62.004 62.100 -0.001 0.000 0.988 170 T CB -0.147 68.721 68.868 0.000 0.000 0.988 170 T HN 0.424 nan 8.240 nan 0.000 0.530 171 S N 0.238 115.940 115.700 0.004 0.000 2.548 171 S HA 0.757 5.227 4.470 -0.000 0.000 0.286 171 S C -0.337 174.268 174.600 0.008 0.000 1.098 171 S CA -0.563 57.642 58.200 0.007 0.000 0.930 171 S CB 1.433 64.640 63.200 0.012 0.000 1.070 171 S HN 0.643 nan 8.310 nan 0.000 0.480 172 A N 1.610 124.436 122.820 0.010 0.000 2.366 172 A HA 0.617 4.937 4.320 -0.000 0.000 0.249 172 A C 1.409 179.000 177.584 0.013 0.000 1.084 172 A CA 0.319 52.362 52.037 0.010 0.000 0.794 172 A CB -0.889 18.117 19.000 0.011 0.000 1.034 172 A HN 2.344 nan 8.150 nan 0.000 0.491 173 G N -0.639 108.169 108.800 0.013 0.000 2.176 173 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.253 173 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.253 173 G C 0.086 174.996 174.900 0.016 0.000 0.979 173 G CA 0.206 45.316 45.100 0.016 0.000 0.641 173 G HN 1.458 nan 8.290 nan 0.000 0.530 174 V N 2.299 122.221 119.914 0.013 0.000 2.333 174 V HA 0.444 4.563 4.120 -0.000 0.000 0.274 174 V C -1.597 174.502 176.094 0.008 0.000 1.028 174 V CA -1.592 60.715 62.300 0.013 0.000 0.851 174 V CB 1.467 33.296 31.823 0.009 0.000 1.000 174 V HN 0.124 nan 8.190 nan 0.000 0.456 175 P HA 0.101 nan 4.420 nan 0.000 0.265 175 P C 0.857 178.158 177.300 0.001 0.000 1.193 175 P CA 0.057 63.160 63.100 0.006 0.000 0.765 175 P CB 0.641 32.345 31.700 0.007 0.000 0.823 176 E N 2.308 122.508 120.200 -0.001 0.000 2.153 176 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 176 E C 1.797 178.393 176.600 -0.008 0.000 0.988 176 E CA 1.354 57.751 56.400 -0.005 0.000 0.811 176 E CB -0.282 29.416 29.700 -0.004 0.000 0.746 176 E HN 0.524 nan 8.360 nan 0.000 0.466 177 A N 1.010 123.827 122.820 -0.005 0.000 2.015 177 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 177 A C 2.430 180.008 177.584 -0.009 0.000 1.163 177 A CA 0.910 52.943 52.037 -0.007 0.000 0.646 177 A CB -0.276 18.722 19.000 -0.003 0.000 0.806 177 A HN 0.102 nan 8.150 nan 0.000 0.448 178 V N -0.574 119.336 119.914 -0.006 0.000 2.379 178 V HA -0.109 4.011 4.120 -0.000 0.000 0.243 178 V C 2.995 179.080 176.094 -0.015 0.000 1.035 178 V CA 1.557 63.855 62.300 -0.004 0.000 1.035 178 V CB -1.025 30.802 31.823 0.007 0.000 0.673 178 V HN 0.561 nan 8.190 nan 0.000 0.457 179 A N -0.001 122.809 122.820 -0.016 0.000 1.972 179 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 179 A C 2.305 179.862 177.584 -0.044 0.000 1.169 179 A CA 1.514 53.535 52.037 -0.027 0.000 0.635 179 A CB -0.508 18.479 19.000 -0.022 0.000 0.810 179 A HN 0.484 nan 8.150 nan 0.000 0.446 180 R N -0.612 119.864 120.500 -0.040 0.000 2.237 180 R HA 0.064 4.404 4.340 -0.000 0.000 0.219 180 R C 1.184 177.436 176.300 -0.079 0.000 1.080 180 R CA 0.724 56.791 56.100 -0.055 0.000 0.995 180 R CB -0.311 29.967 30.300 -0.036 0.000 0.875 180 R HN 0.514 nan 8.270 nan 0.000 0.462 181 L N 0.025 121.208 121.223 -0.067 0.000 2.591 181 L HA 0.059 4.399 4.340 -0.000 0.000 0.228 181 L C 0.194 177.000 176.870 -0.108 0.000 1.133 181 L CA 0.417 55.210 54.840 -0.079 0.000 0.880 181 L CB 0.223 42.254 42.059 -0.047 0.000 1.033 181 L HN -0.059 nan 8.230 nan 0.000 0.450 182 T N 1.513 116.000 114.554 -0.112 0.000 2.770 182 T HA 0.494 4.844 4.350 -0.000 0.000 0.283 182 T C -0.083 174.512 174.700 -0.176 0.000 0.988 182 T CA -0.345 61.676 62.100 -0.130 0.000 0.957 182 T CB 1.699 70.513 68.868 -0.090 0.000 0.930 182 T HN -0.051 nan 8.240 nan 0.000 0.443 183 L N 3.293 124.374 121.223 -0.236 0.000 2.357 183 L HA 0.729 5.069 4.340 -0.000 0.000 0.273 183 L C -0.446 176.291 176.870 -0.221 0.000 1.080 183 L CA -0.886 53.788 54.840 -0.276 0.000 0.803 183 L CB 1.199 43.029 42.059 -0.382 0.000 1.174 183 L HN 0.299 nan 8.230 nan 0.000 0.443 184 V N 0.878 120.694 119.914 -0.163 0.000 2.623 184 V HA 0.611 4.731 4.120 -0.000 0.000 0.304 184 V C -0.136 175.934 176.094 -0.040 0.000 1.054 184 V CA -0.513 61.718 62.300 -0.116 0.000 0.882 184 V CB 2.036 33.825 31.823 -0.057 0.000 1.002 184 V HN 0.937 nan 8.190 nan 0.000 0.424 185 T N 2.742 117.307 114.554 0.019 0.000 2.883 185 T HA 0.745 5.095 4.350 -0.000 0.000 0.296 185 T C -3.224 171.660 174.700 0.307 0.000 1.117 185 T CA -2.514 59.684 62.100 0.163 0.000 1.006 185 T CB 2.453 71.461 68.868 0.233 0.000 1.191 185 T HN 0.363 nan 8.240 nan 0.000 0.508 186 P HA 0.213 nan 4.420 nan 0.000 0.271 186 P C -1.010 176.402 177.300 0.187 0.000 1.216 186 P CA -0.387 62.828 63.100 0.191 0.000 0.776 186 P CB 0.021 31.765 31.700 0.073 0.000 0.881 187 Y N 3.363 123.630 120.300 -0.055 0.000 2.480 187 Y HA -0.031 4.519 4.550 -0.000 0.000 0.338 187 Y C 1.442 176.853 175.900 -0.815 0.000 1.220 187 Y CA 1.014 58.844 58.100 -0.449 0.000 1.430 187 Y CB 0.002 38.307 38.460 -0.259 0.000 1.311 187 Y HN 0.486 nan 8.280 nan 0.000 0.575 188 N N 1.436 118.738 118.700 -2.330 0.000 2.857 188 N HA -0.282 4.458 4.740 -0.000 0.000 0.242 188 N C -1.057 173.970 175.510 -0.806 0.000 0.983 188 N CA 1.456 53.453 53.050 -1.755 0.000 0.934 188 N CB -1.136 36.856 38.487 -0.826 0.000 1.115 188 N HN 0.700 nan 8.380 nan 0.000 0.593 189 D N 1.117 121.198 120.400 -0.532 0.000 2.441 189 D HA 0.278 4.918 4.640 -0.000 0.000 0.221 189 D C 1.385 177.727 176.300 0.071 0.000 1.156 189 D CA -0.212 53.712 54.000 -0.127 0.000 0.896 189 D CB 0.695 41.480 40.800 -0.025 0.000 1.028 189 D HN -0.091 nan 8.370 nan 0.000 0.509 190 V N 4.288 124.253 119.914 0.085 0.000 2.295 190 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 190 V C 2.208 178.373 176.094 0.118 0.000 1.049 190 V CA 1.652 64.040 62.300 0.146 0.000 1.024 190 V CB -0.318 31.552 31.823 0.078 0.000 0.648 190 V HN 0.567 nan 8.190 nan 0.000 0.447 191 E N 0.636 120.884 120.200 0.080 0.000 2.072 191 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 191 E C 2.315 178.979 176.600 0.106 0.000 0.985 191 E CA 1.268 57.714 56.400 0.075 0.000 0.801 191 E CB -0.350 29.377 29.700 0.046 0.000 0.750 191 E HN 0.594 nan 8.360 nan 0.000 0.452 192 A N 1.502 124.394 122.820 0.120 0.000 1.969 192 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 192 A C 2.179 179.891 177.584 0.213 0.000 1.169 192 A CA 0.861 52.984 52.037 0.145 0.000 0.635 192 A CB -0.399 18.684 19.000 0.139 0.000 0.810 192 A HN 0.204 nan 8.150 nan 0.000 0.445 193 L N 0.177 121.564 121.223 0.272 0.000 2.056 193 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 193 L C 2.089 179.172 176.870 0.356 0.000 1.078 193 L CA 2.372 57.438 54.840 0.377 0.000 0.749 193 L CB -0.666 41.629 42.059 0.394 0.000 0.901 193 L HN 0.509 nan 8.230 nan 0.000 0.433 194 E N -0.811 119.523 120.200 0.224 0.000 2.106 194 E HA -0.250 4.099 4.350 -0.000 0.000 0.192 194 E C 2.267 178.983 176.600 0.193 0.000 0.984 194 E CA 1.007 57.514 56.400 0.179 0.000 0.806 194 E CB -0.103 29.652 29.700 0.092 0.000 0.750 194 E HN 0.355 nan 8.360 nan 0.000 0.458 195 R N 0.715 121.313 120.500 0.163 0.000 2.070 195 R HA -0.114 4.226 4.340 -0.000 0.000 0.233 195 R C 2.331 178.718 176.300 0.144 0.000 1.137 195 R CA 1.045 57.221 56.100 0.127 0.000 0.945 195 R CB -0.680 29.684 30.300 0.106 0.000 0.845 195 R HN 0.084 nan 8.270 nan 0.000 0.430 196 V N -0.059 119.964 119.914 0.181 0.000 2.490 196 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 196 V C 1.625 177.791 176.094 0.120 0.000 1.061 196 V CA 1.722 64.128 62.300 0.178 0.000 1.064 196 V CB -0.385 31.499 31.823 0.101 0.000 0.670 196 V HN 0.322 nan 8.190 nan 0.000 0.461 197 F N 0.486 120.510 119.950 0.123 0.000 2.206 197 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 197 F C 2.371 178.201 175.800 0.051 0.000 1.090 197 F CA 1.322 59.377 58.000 0.091 0.000 1.323 197 F CB -0.671 38.368 39.000 0.065 0.000 1.028 197 F HN 0.210 nan 8.300 nan 0.000 0.492 198 A N -0.717 122.221 122.820 0.196 0.000 1.972 198 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 198 A C 2.165 179.744 177.584 -0.008 0.000 1.169 198 A CA 1.924 54.014 52.037 0.088 0.000 0.635 198 A CB -0.617 18.419 19.000 0.060 0.000 0.810 198 A HN 0.438 nan 8.150 nan 0.000 0.446 199 E N -2.146 118.005 120.200 -0.080 0.000 2.140 199 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 199 E C 0.772 177.074 176.600 -0.496 0.000 0.973 199 E CA 0.695 56.896 56.400 -0.332 0.000 0.829 199 E CB 0.089 29.485 29.700 -0.506 0.000 0.781 199 E HN 0.737 nan 8.360 nan 0.000 0.466 200 Y N -1.119 119.148 120.300 -0.055 0.000 2.500 200 Y HA 0.322 4.872 4.550 -0.000 0.000 0.246 200 Y C 1.728 177.567 175.900 -0.101 0.000 1.146 200 Y CA 0.017 58.062 58.100 -0.091 0.000 1.230 200 Y CB 0.344 38.717 38.460 -0.145 0.000 1.214 200 Y HN 0.088 nan 8.280 nan 0.000 0.526 201 G N 1.800 110.640 108.800 0.067 0.000 2.833 201 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.226 201 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.226 201 G C 1.197 176.174 174.900 0.127 0.000 1.228 201 G CA 1.984 47.177 45.100 0.154 0.000 0.779 201 G HN 0.518 nan 8.290 nan 0.000 0.651 202 D N -0.368 120.089 120.400 0.096 0.000 2.371 202 D HA 0.035 4.675 4.640 -0.000 0.000 0.234 202 D C 2.016 178.349 176.300 0.055 0.000 1.049 202 D CA 0.325 54.370 54.000 0.074 0.000 0.907 202 D CB -0.192 40.639 40.800 0.052 0.000 0.891 202 D HN 0.445 nan 8.370 nan 0.000 0.531 203 R N -0.469 120.065 120.500 0.057 0.000 2.404 203 R HA 0.349 4.689 4.340 -0.000 0.000 0.237 203 R C 0.241 176.548 176.300 0.012 0.000 0.907 203 R CA -0.320 55.807 56.100 0.045 0.000 1.063 203 R CB 0.794 31.144 30.300 0.084 0.000 1.134 203 R HN 0.205 nan 8.270 nan 0.000 0.529 204 I N 1.132 121.698 120.570 -0.007 0.000 2.396 204 I HA 0.071 4.241 4.170 -0.000 0.000 0.289 204 I C 1.257 177.381 176.117 0.012 0.000 1.056 204 I CA -0.186 61.083 61.300 -0.052 0.000 1.365 204 I CB 1.654 39.554 38.000 -0.166 0.000 1.407 204 I HN 0.129 nan 8.210 nan 0.000 0.509 205 A N 5.377 128.199 122.820 0.004 0.000 1.930 205 A HA 0.336 4.656 4.320 -0.000 0.000 0.215 205 A C 1.084 178.700 177.584 0.054 0.000 1.176 205 A CA 1.123 53.182 52.037 0.038 0.000 0.632 205 A CB -0.120 18.895 19.000 0.025 0.000 0.819 205 A HN 0.805 nan 8.150 nan 0.000 0.445 206 G N -2.188 106.626 108.800 0.023 0.000 2.703 206 G HA2 0.468 4.428 3.960 -0.000 0.000 0.294 206 G HA3 0.468 4.428 3.960 -0.000 0.000 0.294 206 G C -1.649 173.256 174.900 0.009 0.000 1.451 206 G CA 0.212 45.333 45.100 0.035 0.000 0.869 206 G HN 0.812 nan 8.290 nan 0.000 0.516 207 V N 2.557 122.506 119.914 0.058 0.000 2.378 207 V HA 0.771 4.891 4.120 -0.000 0.000 0.288 207 V C -0.458 175.673 176.094 0.062 0.000 1.016 207 V CA -0.935 61.400 62.300 0.059 0.000 0.840 207 V CB 0.759 32.716 31.823 0.222 0.000 0.994 207 V HN 0.771 nan 8.190 nan 0.000 0.431 208 I N 6.909 127.473 120.570 -0.010 0.000 2.392 208 I HA 0.789 4.959 4.170 -0.000 0.000 0.295 208 I C -1.100 175.120 176.117 0.173 0.000 0.985 208 I CA -0.376 60.899 61.300 -0.040 0.000 1.221 208 I CB 1.707 39.511 38.000 -0.326 0.000 1.366 208 I HN 0.599 nan 8.210 nan 0.000 0.467 209 V N 6.814 126.901 119.914 0.288 0.000 2.969 209 V HA 0.360 4.480 4.120 -0.000 0.000 0.304 209 V C -1.115 175.234 176.094 0.425 0.000 1.192 209 V CA -0.501 62.115 62.300 0.526 0.000 0.962 209 V CB 2.441 34.590 31.823 0.544 0.000 1.045 209 V HN 0.812 nan 8.190 nan 0.000 0.428 210 E N 6.892 127.361 120.200 0.449 0.000 2.180 210 E HA 0.255 4.605 4.350 -0.000 0.000 0.283 210 E C -1.918 174.865 176.600 0.305 0.000 1.061 210 E CA -1.537 55.039 56.400 0.294 0.000 0.861 210 E CB 1.618 31.412 29.700 0.156 0.000 1.056 210 E HN 0.515 nan 8.360 nan 0.000 0.407 211 P HA -0.150 nan 4.420 nan 0.000 0.217 211 P C -0.229 177.190 177.300 0.198 0.000 1.148 211 P CA 0.988 64.201 63.100 0.188 0.000 0.828 211 P CB 0.339 32.175 31.700 0.227 0.000 0.783 212 V N -0.023 120.025 119.914 0.223 0.000 2.524 212 V HA 0.219 4.339 4.120 -0.000 0.000 0.297 212 V C 0.115 176.261 176.094 0.086 0.000 1.035 212 V CA -0.931 61.482 62.300 0.188 0.000 0.867 212 V CB 1.992 33.940 31.823 0.209 0.000 1.004 212 V HN -0.110 nan 8.190 nan 0.000 0.426 213 I N 3.436 123.969 120.570 -0.061 0.000 2.752 213 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 213 I C 1.136 177.227 176.117 -0.043 0.000 1.188 213 I CA 0.679 61.875 61.300 -0.173 0.000 1.427 213 I CB 1.351 39.092 38.000 -0.432 0.000 1.365 213 I HN 0.799 nan 8.210 nan 0.000 0.585 214 A N 4.799 127.616 122.820 -0.005 0.000 2.600 214 A HA 0.228 4.548 4.320 -0.000 0.000 0.252 214 A C 0.763 178.359 177.584 0.021 0.000 1.200 214 A CA -0.231 51.829 52.037 0.038 0.000 0.981 214 A CB 0.166 19.272 19.000 0.177 0.000 1.207 214 A HN 0.749 nan 8.150 nan 0.000 0.577 215 N N 0.249 118.940 118.700 -0.016 0.000 2.238 215 N HA 0.317 5.057 4.740 -0.000 0.000 0.235 215 N C 0.126 175.580 175.510 -0.093 0.000 1.209 215 N CA 0.809 53.822 53.050 -0.062 0.000 0.879 215 N CB 1.402 39.867 38.487 -0.037 0.000 1.136 215 N HN 0.363 nan 8.380 nan 0.000 0.517 216 A N 0.332 123.109 122.820 -0.072 0.000 3.176 216 A HA 0.630 4.950 4.320 -0.000 0.000 0.265 216 A C 0.899 178.507 177.584 0.040 0.000 0.936 216 A CA -0.030 51.974 52.037 -0.054 0.000 1.033 216 A CB -0.171 18.773 19.000 -0.093 0.000 1.158 216 A HN 0.224 nan 8.150 nan 0.000 0.485 217 G N -0.754 108.068 108.800 0.036 0.000 2.697 217 G HA2 0.008 3.968 3.960 -0.000 0.000 0.240 217 G HA3 0.008 3.968 3.960 -0.000 0.000 0.240 217 G C -0.264 174.694 174.900 0.097 0.000 1.346 217 G CA -0.273 44.895 45.100 0.113 0.000 0.887 217 G HN 1.230 nan 8.290 nan 0.000 0.569 218 V N 0.722 120.722 119.914 0.142 0.000 2.427 218 V HA 0.662 4.782 4.120 -0.000 0.000 0.286 218 V C 0.633 176.807 176.094 0.133 0.000 1.034 218 V CA -0.211 62.128 62.300 0.065 0.000 0.893 218 V CB 1.292 33.108 31.823 -0.012 0.000 0.982 218 V HN 0.652 nan 8.190 nan 0.000 0.452 219 I N 7.125 127.721 120.570 0.043 0.000 2.497 219 I HA 0.367 4.537 4.170 -0.000 0.000 0.284 219 I C -2.514 173.664 176.117 0.101 0.000 1.060 219 I CA -1.745 59.576 61.300 0.035 0.000 1.071 219 I CB 2.697 40.656 38.000 -0.067 0.000 1.216 219 I HN 0.438 nan 8.210 nan 0.000 0.442 220 P HA 0.283 nan 4.420 nan 0.000 0.274 220 P C -2.737 174.638 177.300 0.125 0.000 1.237 220 P CA -1.488 61.707 63.100 0.158 0.000 0.793 220 P CB 0.435 32.235 31.700 0.167 0.000 0.977 221 P HA 0.336 nan 4.420 nan 0.000 0.284 221 P C -0.387 176.823 177.300 -0.150 0.000 1.258 221 P CA -0.535 62.481 63.100 -0.140 0.000 0.824 221 P CB 1.344 32.876 31.700 -0.281 0.000 1.038 222 R N 1.354 121.762 120.500 -0.154 0.000 2.410 222 R HA 0.188 4.528 4.340 -0.000 0.000 0.288 222 R C 2.035 178.295 176.300 -0.067 0.000 1.051 222 R CA -0.410 55.637 56.100 -0.088 0.000 1.021 222 R CB 1.094 31.337 30.300 -0.095 0.000 1.032 222 R HN 0.589 nan 8.270 nan 0.000 0.481 223 R N 1.565 122.039 120.500 -0.043 0.000 2.127 223 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 223 R C 0.456 176.730 176.300 -0.042 0.000 1.134 223 R CA 1.728 57.805 56.100 -0.038 0.000 0.975 223 R CB -0.046 30.254 30.300 -0.001 0.000 0.865 223 R HN 0.565 nan 8.270 nan 0.000 0.447 224 E N 0.332 120.517 120.200 -0.026 0.000 2.208 224 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 224 E C 1.438 178.028 176.600 -0.017 0.000 0.988 224 E CA 0.950 57.336 56.400 -0.024 0.000 0.828 224 E CB -0.253 29.439 29.700 -0.014 0.000 0.763 224 E HN 0.327 nan 8.360 nan 0.000 0.478 225 F N 0.940 120.773 119.950 -0.194 0.000 2.113 225 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 225 F C 1.608 177.261 175.800 -0.245 0.000 1.103 225 F CA 1.225 59.069 58.000 -0.260 0.000 1.248 225 F CB -0.161 38.597 39.000 -0.404 0.000 0.999 225 F HN -0.057 nan 8.300 nan 0.000 0.475 226 L N -0.179 120.900 121.223 -0.240 0.000 2.046 226 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 226 L C 2.785 179.516 176.870 -0.232 0.000 1.077 226 L CA 1.197 55.862 54.840 -0.292 0.000 0.747 226 L CB -1.335 40.605 42.059 -0.200 0.000 0.896 226 L HN 0.226 nan 8.230 nan 0.000 0.432 227 A N 0.172 122.897 122.820 -0.158 0.000 1.902 227 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 227 A C 2.544 180.033 177.584 -0.159 0.000 1.181 227 A CA 1.786 53.748 52.037 -0.124 0.000 0.623 227 A CB -0.687 18.264 19.000 -0.081 0.000 0.818 227 A HN 0.403 nan 8.150 nan 0.000 0.443 228 A N -0.296 122.411 122.820 -0.188 0.000 1.902 228 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 228 A C 2.169 179.582 177.584 -0.286 0.000 1.181 228 A CA 1.451 53.364 52.037 -0.205 0.000 0.623 228 A CB -0.616 18.287 19.000 -0.162 0.000 0.818 228 A HN 0.473 nan 8.150 nan 0.000 0.443 229 L N -0.802 120.200 121.223 -0.368 0.000 2.012 229 L HA -0.300 4.040 4.340 -0.000 0.000 0.210 229 L C 2.953 179.681 176.870 -0.237 0.000 1.073 229 L CA 1.891 56.531 54.840 -0.334 0.000 0.748 229 L CB -0.619 41.193 42.059 -0.410 0.000 0.891 229 L HN 0.502 nan 8.230 nan 0.000 0.431 230 Q N -0.760 118.923 119.800 -0.194 0.000 2.046 230 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 230 Q C 2.335 178.247 176.000 -0.146 0.000 0.975 230 Q CA 1.312 57.034 55.803 -0.135 0.000 0.836 230 Q CB -0.172 28.507 28.738 -0.100 0.000 0.896 230 Q HN 0.370 nan 8.270 nan 0.000 0.428 231 R N 0.821 121.222 120.500 -0.166 0.000 2.070 231 R HA -0.116 4.223 4.340 -0.000 0.000 0.233 231 R C 2.223 178.389 176.300 -0.223 0.000 1.137 231 R CA 1.094 57.099 56.100 -0.158 0.000 0.945 231 R CB -0.204 30.013 30.300 -0.138 0.000 0.845 231 R HN 0.218 nan 8.270 nan 0.000 0.430 232 L N 0.692 121.697 121.223 -0.364 0.000 2.083 232 L HA -0.177 4.162 4.340 -0.000 0.000 0.209 232 L C 2.697 179.198 176.870 -0.616 0.000 1.083 232 L CA 1.651 56.112 54.840 -0.631 0.000 0.752 232 L CB -0.447 40.926 42.059 -1.142 0.000 0.899 232 L HN 0.380 nan 8.230 nan 0.000 0.433 233 S N -0.221 115.228 115.700 -0.417 0.000 2.371 233 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 233 S C 2.062 176.635 174.600 -0.045 0.000 1.029 233 S CA 0.583 58.710 58.200 -0.122 0.000 0.978 233 S CB -0.375 62.815 63.200 -0.018 0.000 0.833 233 S HN 0.346 nan 8.310 nan 0.000 0.466 234 R N 1.791 122.247 120.500 -0.074 0.000 2.120 234 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 234 R C 2.456 178.743 176.300 -0.021 0.000 1.123 234 R CA 1.668 57.747 56.100 -0.034 0.000 0.975 234 R CB -0.331 29.942 30.300 -0.045 0.000 0.866 234 R HN 0.871 nan 8.270 nan 0.000 0.446 235 E N -0.049 120.123 120.200 -0.047 0.000 2.447 235 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 235 E C 1.277 177.886 176.600 0.015 0.000 1.028 235 E CA 0.863 57.250 56.400 -0.021 0.000 0.876 235 E CB 0.353 30.029 29.700 -0.040 0.000 0.885 235 E HN 0.176 nan 8.360 nan 0.000 0.500 236 S N -0.447 115.277 115.700 0.040 0.000 2.511 236 S HA 0.346 4.815 4.470 -0.000 0.000 0.214 236 S C 1.688 176.363 174.600 0.126 0.000 0.997 236 S CA 0.147 58.421 58.200 0.124 0.000 0.908 236 S CB 0.459 63.829 63.200 0.284 0.000 0.803 236 S HN 0.541 nan 8.310 nan 0.000 0.504 237 G N 0.853 109.714 108.800 0.102 0.000 2.157 237 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.248 237 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.248 237 G C 0.187 175.167 174.900 0.133 0.000 0.979 237 G CA -0.089 45.072 45.100 0.103 0.000 0.650 237 G HN 1.289 nan 8.290 nan 0.000 0.529 238 A N 0.238 123.157 122.820 0.164 0.000 2.310 238 A HA 0.782 5.102 4.320 -0.000 0.000 0.299 238 A C 0.493 178.160 177.584 0.139 0.000 1.147 238 A CA -0.436 51.706 52.037 0.176 0.000 0.818 238 A CB 0.622 19.790 19.000 0.280 0.000 1.096 238 A HN 0.734 nan 8.150 nan 0.000 0.495 239 L N 2.178 123.470 121.223 0.114 0.000 2.331 239 L HA 0.226 4.566 4.340 -0.000 0.000 0.278 239 L C -0.206 176.700 176.870 0.059 0.000 1.106 239 L CA -0.661 54.219 54.840 0.066 0.000 0.824 239 L CB 1.070 43.149 42.059 0.034 0.000 1.142 239 L HN 0.663 nan 8.230 nan 0.000 0.443 240 L N 5.849 127.094 121.223 0.037 0.000 2.283 240 L HA 0.376 4.716 4.340 -0.000 0.000 0.287 240 L C -0.299 176.587 176.870 0.026 0.000 1.073 240 L CA 0.343 55.207 54.840 0.040 0.000 0.822 240 L CB 0.347 42.414 42.059 0.015 0.000 1.186 240 L HN 0.329 nan 8.230 nan 0.000 0.436 241 I N 6.767 127.358 120.570 0.035 0.000 2.306 241 I HA 0.236 4.406 4.170 -0.000 0.000 0.288 241 I C -0.489 175.658 176.117 0.049 0.000 1.036 241 I CA -0.399 60.914 61.300 0.021 0.000 1.221 241 I CB 0.788 38.783 38.000 -0.008 0.000 1.385 241 I HN 0.438 nan 8.210 nan 0.000 0.472 242 L N 5.747 127.003 121.223 0.056 0.000 2.261 242 L HA 0.252 4.592 4.340 -0.000 0.000 0.289 242 L C 0.174 177.106 176.870 0.103 0.000 1.059 242 L CA -0.379 54.516 54.840 0.091 0.000 0.816 242 L CB 0.630 42.738 42.059 0.082 0.000 1.191 242 L HN 0.534 nan 8.230 nan 0.000 0.431 243 D N 4.357 124.845 120.400 0.148 0.000 2.402 243 D HA 0.026 4.666 4.640 -0.000 0.000 0.235 243 D C 0.353 176.753 176.300 0.168 0.000 1.226 243 D CA 0.126 54.228 54.000 0.170 0.000 0.918 243 D CB 0.681 41.654 40.800 0.290 0.000 1.043 243 D HN 0.506 nan 8.370 nan 0.000 0.506 244 E N 2.720 123.001 120.200 0.136 0.000 2.496 244 E HA 0.047 4.396 4.350 -0.000 0.000 0.202 244 E C 1.586 178.267 176.600 0.135 0.000 1.021 244 E CA -0.162 56.316 56.400 0.129 0.000 1.015 244 E CB 0.955 30.714 29.700 0.098 0.000 1.102 244 E HN 0.317 nan 8.360 nan 0.000 0.452 245 V N 0.341 120.339 119.914 0.139 0.000 2.469 245 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 245 V C 1.955 178.122 176.094 0.121 0.000 1.064 245 V CA 1.461 63.839 62.300 0.131 0.000 1.066 245 V CB -0.098 31.799 31.823 0.123 0.000 0.667 245 V HN 0.205 nan 8.190 nan 0.000 0.461 246 V N -0.296 119.698 119.914 0.133 0.000 2.690 246 V HA -0.092 4.028 4.120 -0.000 0.000 0.240 246 V C 2.634 178.808 176.094 0.134 0.000 1.078 246 V CA 1.769 64.147 62.300 0.131 0.000 1.102 246 V CB -0.131 31.815 31.823 0.205 0.000 0.800 246 V HN 0.741 nan 8.190 nan 0.000 0.479 247 T N -0.621 114.014 114.554 0.134 0.000 2.915 247 T HA 0.016 4.366 4.350 -0.000 0.000 0.269 247 T C 1.265 175.996 174.700 0.052 0.000 1.071 247 T CA 0.780 62.936 62.100 0.094 0.000 1.132 247 T CB -0.713 68.219 68.868 0.108 0.000 0.878 247 T HN 0.471 nan 8.240 nan 0.000 0.479 248 G N 0.523 109.372 108.800 0.082 0.000 2.254 248 G HA2 0.324 4.284 3.960 -0.000 0.000 0.253 248 G HA3 0.324 4.284 3.960 -0.000 0.000 0.253 248 G C -0.078 174.922 174.900 0.167 0.000 1.246 248 G CA -0.518 44.620 45.100 0.063 0.000 0.946 248 G HN 0.361 nan 8.290 nan 0.000 0.474 249 F N -0.516 119.451 119.950 0.029 0.000 2.935 249 F HA -0.257 4.269 4.527 -0.000 0.000 0.317 249 F C 1.971 177.853 175.800 0.138 0.000 0.699 249 F CA 1.529 59.560 58.000 0.051 0.000 1.127 249 F CB -1.052 37.979 39.000 0.052 0.000 1.491 249 F HN 0.599 nan 8.300 nan 0.000 0.337 250 R N 0.522 121.121 120.500 0.165 0.000 2.167 250 R HA 0.290 4.630 4.340 -0.000 0.000 0.201 250 R C 0.846 177.173 176.300 0.044 0.000 1.024 250 R CA 0.324 56.538 56.100 0.189 0.000 1.053 250 R CB 0.172 30.549 30.300 0.129 0.000 0.987 250 R HN 0.346 nan 8.270 nan 0.000 0.493 251 L N 2.664 123.788 121.223 -0.164 0.000 2.648 251 L HA 0.366 4.706 4.340 -0.000 0.000 0.238 251 L C 0.015 176.621 176.870 -0.440 0.000 1.316 251 L CA -0.101 54.495 54.840 -0.407 0.000 1.241 251 L CB 0.436 42.148 42.059 -0.579 0.000 1.499 251 L HN 0.521 nan 8.230 nan 0.000 0.411 252 G N -0.117 108.204 108.800 -0.798 0.000 2.814 252 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.677 252 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.677 252 G C 0.401 174.913 174.900 -0.646 0.000 1.429 252 G CA -0.526 43.917 45.100 -1.095 0.000 0.868 252 G HN 0.301 nan 8.290 nan 0.000 0.553 253 L N -0.135 120.792 121.223 -0.492 0.000 2.131 253 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 253 L C 2.546 179.002 176.870 -0.690 0.000 1.092 253 L CA 2.015 56.568 54.840 -0.479 0.000 0.759 253 L CB -0.263 41.377 42.059 -0.699 0.000 0.903 253 L HN 0.747 nan 8.230 nan 0.000 0.435 254 E N -0.259 119.692 120.200 -0.415 0.000 2.489 254 E HA 0.131 4.481 4.350 -0.000 0.000 0.193 254 E C 1.215 177.646 176.600 -0.282 0.000 1.057 254 E CA 0.272 56.514 56.400 -0.263 0.000 0.866 254 E CB 0.179 29.825 29.700 -0.091 0.000 0.916 254 E HN 0.465 nan 8.360 nan 0.000 0.500 255 G N 1.306 109.888 108.800 -0.364 0.000 2.598 255 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.269 255 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.269 255 G C 0.956 175.804 174.900 -0.087 0.000 1.289 255 G CA 0.003 44.956 45.100 -0.246 0.000 0.926 255 G HN 0.340 nan 8.290 nan 0.000 0.567 256 A N -1.364 121.464 122.820 0.013 0.000 1.948 256 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 256 A C 2.420 180.134 177.584 0.216 0.000 1.177 256 A CA 2.570 54.724 52.037 0.196 0.000 0.636 256 A CB -0.532 18.639 19.000 0.285 0.000 0.815 256 A HN 0.801 nan 8.150 nan 0.000 0.449 257 Q N -1.027 118.834 119.800 0.103 0.000 2.050 257 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 257 Q C 2.238 178.273 176.000 0.059 0.000 0.980 257 Q CA 1.372 57.225 55.803 0.083 0.000 0.840 257 Q CB -0.417 28.343 28.738 0.036 0.000 0.898 257 Q HN 0.686 nan 8.270 nan 0.000 0.424 258 G N -0.410 108.398 108.800 0.013 0.000 2.408 258 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 258 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 258 G C 1.152 176.024 174.900 -0.047 0.000 1.156 258 G CA 0.274 45.362 45.100 -0.019 0.000 0.793 258 G HN 0.284 nan 8.290 nan 0.000 0.535 259 Y N 0.587 120.765 120.300 -0.203 0.000 2.145 259 Y HA -0.039 4.511 4.550 -0.000 0.000 0.286 259 Y C 1.739 177.383 175.900 -0.426 0.000 1.145 259 Y CA 1.512 59.381 58.100 -0.384 0.000 1.148 259 Y CB -0.048 38.061 38.460 -0.586 0.000 0.981 259 Y HN 0.167 nan 8.280 nan 0.000 0.507 260 F N -0.270 119.724 119.950 0.074 0.000 2.695 260 F HA 0.189 4.715 4.527 -0.000 0.000 0.303 260 F C 0.726 176.512 175.800 -0.024 0.000 1.091 260 F CA 0.193 58.200 58.000 0.011 0.000 1.300 260 F CB -0.618 38.434 39.000 0.087 0.000 1.071 260 F HN -0.020 nan 8.300 nan 0.000 0.578 261 N N 1.972 120.729 118.700 0.095 0.000 2.708 261 N HA -0.226 4.514 4.740 -0.000 0.000 0.255 261 N C -0.654 174.895 175.510 0.064 0.000 1.046 261 N CA 0.791 53.870 53.050 0.047 0.000 0.715 261 N CB -1.200 37.293 38.487 0.009 0.000 0.895 261 N HN 0.562 nan 8.380 nan 0.000 0.545 262 I N -3.480 117.141 120.570 0.085 0.000 3.108 262 I HA 0.720 4.890 4.170 -0.000 0.000 0.312 262 I C -0.320 175.819 176.117 0.037 0.000 1.095 262 I CA -1.010 60.323 61.300 0.054 0.000 1.000 262 I CB 2.214 40.253 38.000 0.064 0.000 1.229 262 I HN 0.024 nan 8.210 nan 0.000 0.454 263 E N 0.966 121.175 120.200 0.015 0.000 2.256 263 E HA 0.574 4.923 4.350 -0.000 0.000 0.268 263 E C -0.852 175.749 176.600 0.002 0.000 0.877 263 E CA -0.792 55.614 56.400 0.009 0.000 0.757 263 E CB 2.456 32.155 29.700 -0.001 0.000 1.183 263 E HN 0.926 nan 8.360 nan 0.000 0.418 264 G N 1.433 110.238 108.800 0.007 0.000 2.441 264 G HA2 0.166 4.126 3.960 -0.000 0.000 0.334 264 G HA3 0.166 4.126 3.960 -0.000 0.000 0.334 264 G C 0.045 174.938 174.900 -0.010 0.000 1.161 264 G CA -0.365 44.738 45.100 0.004 0.000 0.935 264 G HN 0.457 nan 8.290 nan 0.000 0.488 265 D N 0.017 120.405 120.400 -0.019 0.000 2.120 265 D HA 0.000 4.640 4.640 -0.000 0.000 0.202 265 D C 0.700 176.965 176.300 -0.057 0.000 0.972 265 D CA 1.173 55.144 54.000 -0.047 0.000 0.837 265 D CB 0.511 41.277 40.800 -0.056 0.000 0.989 265 D HN 0.212 nan 8.370 nan 0.000 0.469 266 I N 1.899 122.445 120.570 -0.039 0.000 2.436 266 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 266 I C -0.645 175.470 176.117 -0.005 0.000 1.010 266 I CA -0.639 60.639 61.300 -0.036 0.000 1.098 266 I CB 2.573 40.547 38.000 -0.043 0.000 1.266 266 I HN -0.239 nan 8.210 nan 0.000 0.434 267 I N 7.191 127.763 120.570 0.003 0.000 2.330 267 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 267 I C 0.017 176.159 176.117 0.041 0.000 1.001 267 I CA -0.684 60.634 61.300 0.030 0.000 1.193 267 I CB 1.455 39.476 38.000 0.035 0.000 1.345 267 I HN 0.125 nan 8.210 nan 0.000 0.461 268 V N 7.661 127.610 119.914 0.058 0.000 2.465 268 V HA 0.485 4.605 4.120 -0.000 0.000 0.279 268 V C 0.367 176.523 176.094 0.103 0.000 1.045 268 V CA -0.458 61.884 62.300 0.070 0.000 0.938 268 V CB 1.728 33.594 31.823 0.071 0.000 0.986 268 V HN 0.487 nan 8.190 nan 0.000 0.467 269 L N 3.506 124.800 121.223 0.119 0.000 2.283 269 L HA 1.051 5.391 4.340 -0.000 0.000 0.259 269 L C 0.573 177.534 176.870 0.152 0.000 1.027 269 L CA -0.315 54.622 54.840 0.160 0.000 0.828 269 L CB 2.349 44.538 42.059 0.215 0.000 1.380 269 L HN 0.856 nan 8.230 nan 0.000 0.425 270 G N -0.770 108.124 108.800 0.156 0.000 2.364 270 G HA2 0.256 4.216 3.960 -0.000 0.000 0.286 270 G HA3 0.256 4.216 3.960 -0.000 0.000 0.286 270 G C -0.628 174.331 174.900 0.097 0.000 1.241 270 G CA -0.120 45.054 45.100 0.124 0.000 0.887 270 G HN 0.501 nan 8.290 nan 0.000 0.484 271 K N -1.011 119.425 120.400 0.061 0.000 5.240 271 K HA -0.351 3.969 4.320 -0.000 0.000 0.296 271 K C 2.199 178.801 176.600 0.004 0.000 0.663 271 K CA 2.713 59.010 56.287 0.017 0.000 1.051 271 K CB -1.205 31.288 32.500 -0.012 0.000 0.767 271 K HN 0.427 nan 8.250 nan 0.000 0.850 272 I N 1.166 121.737 120.570 0.002 0.000 2.236 272 I HA -0.289 3.881 4.170 -0.000 0.000 0.249 272 I C 2.221 178.315 176.117 -0.039 0.000 1.102 272 I CA 2.011 63.302 61.300 -0.016 0.000 1.365 272 I CB -0.596 37.427 38.000 0.037 0.000 1.051 272 I HN 0.431 nan 8.210 nan 0.000 0.420 273 I N -1.415 119.149 120.570 -0.010 0.000 3.241 273 I HA -0.015 4.155 4.170 -0.000 0.000 0.280 273 I C 1.789 177.880 176.117 -0.043 0.000 1.320 273 I CA 1.244 62.501 61.300 -0.072 0.000 1.413 273 I CB -0.718 37.294 38.000 0.020 0.000 1.060 273 I HN 0.091 nan 8.210 nan 0.000 0.500 274 G N 0.373 109.170 108.800 -0.006 0.000 3.159 274 G HA2 0.345 4.305 3.960 -0.000 0.000 0.232 274 G HA3 0.345 4.305 3.960 -0.000 0.000 0.232 274 G C 1.263 176.208 174.900 0.075 0.000 1.116 274 G CA 0.144 45.259 45.100 0.025 0.000 0.767 274 G HN 0.653 nan 8.290 nan 0.000 0.547 275 G N -0.397 108.416 108.800 0.022 0.000 2.212 275 G HA2 0.145 4.105 3.960 -0.000 0.000 0.267 275 G HA3 0.145 4.105 3.960 -0.000 0.000 0.267 275 G C 1.244 176.198 174.900 0.090 0.000 1.002 275 G CA 1.248 46.377 45.100 0.048 0.000 0.729 275 G HN 1.864 nan 8.290 nan 0.000 0.517 276 G N -2.790 106.025 108.800 0.025 0.000 2.184 276 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.206 276 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.206 276 G C 0.217 174.976 174.900 -0.235 0.000 0.995 276 G CA 0.258 45.297 45.100 -0.101 0.000 0.651 276 G HN 1.033 nan 8.290 nan 0.000 0.511 277 F N 1.101 121.004 119.950 -0.079 0.000 2.440 277 F HA 0.611 5.138 4.527 -0.000 0.000 0.328 277 F C -1.842 173.898 175.800 -0.099 0.000 1.070 277 F CA -2.486 55.450 58.000 -0.106 0.000 1.011 277 F CB 1.152 40.076 39.000 -0.126 0.000 1.226 277 F HN -0.224 nan 8.300 nan 0.000 0.491 278 P HA 0.079 nan 4.420 nan 0.000 0.258 278 P C -0.955 176.369 177.300 0.040 0.000 1.172 278 P CA 0.493 63.591 63.100 -0.004 0.000 0.762 278 P CB 0.506 32.164 31.700 -0.069 0.000 0.764 279 V N 2.926 122.873 119.914 0.055 0.000 3.242 279 V HA 0.901 5.020 4.120 -0.000 0.000 0.298 279 V C -0.748 175.410 176.094 0.107 0.000 1.352 279 V CA -0.066 62.286 62.300 0.086 0.000 1.052 279 V CB 2.430 34.298 31.823 0.075 0.000 1.101 279 V HN 0.698 nan 8.190 nan 0.000 0.446 280 G N 1.726 110.616 108.800 0.150 0.000 2.632 280 G HA2 0.969 4.929 3.960 -0.000 0.000 0.292 280 G HA3 0.969 4.929 3.960 -0.000 0.000 0.292 280 G C -1.232 173.787 174.900 0.199 0.000 1.465 280 G CA 0.077 45.266 45.100 0.148 0.000 0.824 280 G HN 1.871 nan 8.290 nan 0.000 0.509 281 A N -0.668 122.244 122.820 0.154 0.000 2.605 281 A HA 0.819 5.139 4.320 -0.000 0.000 0.294 281 A C -1.659 175.949 177.584 0.041 0.000 1.062 281 A CA -0.518 51.585 52.037 0.110 0.000 0.682 281 A CB 1.694 20.791 19.000 0.160 0.000 1.278 281 A HN 1.720 nan 8.150 nan 0.000 0.410 282 V N 0.649 120.547 119.914 -0.028 0.000 2.531 282 V HA 0.792 4.912 4.120 -0.000 0.000 0.301 282 V C 0.240 176.291 176.094 -0.071 0.000 1.034 282 V CA 0.037 62.317 62.300 -0.033 0.000 0.865 282 V CB 1.396 33.196 31.823 -0.038 0.000 0.995 282 V HN 1.716 nan 8.190 nan 0.000 0.424 283 A N 3.218 126.011 122.820 -0.044 0.000 2.374 283 A HA 1.069 5.389 4.320 -0.000 0.000 0.317 283 A C 0.039 177.594 177.584 -0.049 0.000 1.094 283 A CA 0.001 52.005 52.037 -0.054 0.000 0.765 283 A CB 2.096 21.083 19.000 -0.021 0.000 1.268 283 A HN 1.457 nan 8.150 nan 0.000 0.438 284 G N -0.446 108.317 108.800 -0.062 0.000 2.488 284 G HA2 0.607 4.567 3.960 -0.000 0.000 0.301 284 G HA3 0.607 4.567 3.960 -0.000 0.000 0.301 284 G C -0.194 174.661 174.900 -0.074 0.000 1.339 284 G CA 0.207 45.263 45.100 -0.074 0.000 0.803 284 G HN 1.678 nan 8.290 nan 0.000 0.482 285 S N -0.623 115.024 115.700 -0.089 0.000 2.606 285 S HA 0.253 4.723 4.470 -0.000 0.000 0.257 285 S C 1.440 176.000 174.600 -0.067 0.000 1.327 285 S CA 0.157 58.314 58.200 -0.071 0.000 0.984 285 S CB 1.260 64.414 63.200 -0.077 0.000 0.941 285 S HN 0.747 nan 8.310 nan 0.000 0.576 286 R N 1.331 121.807 120.500 -0.040 0.000 2.073 286 R HA -0.104 4.235 4.340 -0.000 0.000 0.234 286 R C 2.555 178.846 176.300 -0.014 0.000 1.134 286 R CA 1.634 57.719 56.100 -0.025 0.000 0.952 286 R CB -0.502 29.792 30.300 -0.010 0.000 0.850 286 R HN 0.909 nan 8.270 nan 0.000 0.433 287 E N 0.960 121.158 120.200 -0.003 0.000 2.058 287 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 287 E C 2.009 178.635 176.600 0.044 0.000 0.997 287 E CA 1.613 58.046 56.400 0.056 0.000 0.801 287 E CB -0.526 29.241 29.700 0.111 0.000 0.746 287 E HN 0.188 nan 8.360 nan 0.000 0.450 288 V N 1.631 121.441 119.914 -0.175 0.000 2.283 288 V HA -0.219 3.901 4.120 -0.000 0.000 0.243 288 V C 2.673 178.703 176.094 -0.107 0.000 1.039 288 V CA 1.882 63.973 62.300 -0.348 0.000 1.016 288 V CB -0.466 31.040 31.823 -0.528 0.000 0.650 288 V HN 0.219 nan 8.190 nan 0.000 0.449 289 M N 1.067 120.612 119.600 -0.092 0.000 2.267 289 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 289 M C 2.440 178.726 176.300 -0.023 0.000 1.063 289 M CA 2.022 57.287 55.300 -0.058 0.000 1.090 289 M CB -1.589 30.972 32.600 -0.065 0.000 1.392 289 M HN 0.653 nan 8.290 nan 0.000 0.422 290 S N -0.037 115.663 115.700 0.000 0.000 2.500 290 S HA -0.095 4.375 4.470 -0.000 0.000 0.239 290 S C 1.729 176.348 174.600 0.032 0.000 0.989 290 S CA 0.683 58.893 58.200 0.017 0.000 0.951 290 S CB -0.606 62.614 63.200 0.032 0.000 0.759 290 S HN 0.378 nan 8.310 nan 0.000 0.523 291 L N 0.613 121.866 121.223 0.049 0.000 2.395 291 L HA 0.351 4.690 4.340 -0.000 0.000 0.218 291 L C 0.843 177.731 176.870 0.031 0.000 1.130 291 L CA 0.550 55.427 54.840 0.061 0.000 0.826 291 L CB -0.423 41.701 42.059 0.107 0.000 0.941 291 L HN 0.347 nan 8.230 nan 0.000 0.451 292 L N 0.065 121.289 121.223 0.002 0.000 2.426 292 L HA 0.129 4.469 4.340 -0.000 0.000 0.271 292 L C 0.799 177.646 176.870 -0.038 0.000 1.169 292 L CA -0.433 54.390 54.840 -0.028 0.000 0.836 292 L CB 0.462 42.488 42.059 -0.055 0.000 1.112 292 L HN 0.203 nan 8.230 nan 0.000 0.465 293 T N -0.152 114.362 114.554 -0.066 0.000 2.932 293 T HA 0.102 4.452 4.350 -0.000 0.000 0.312 293 T C -1.420 173.227 174.700 -0.089 0.000 1.071 293 T CA -1.157 60.903 62.100 -0.067 0.000 1.128 293 T CB 0.620 69.418 68.868 -0.117 0.000 0.984 293 T HN 0.554 nan 8.240 nan 0.000 0.549 294 P HA 0.061 nan 4.420 nan 0.000 0.249 294 P C 0.964 178.263 177.300 -0.001 0.000 1.229 294 P CA 0.241 63.331 63.100 -0.016 0.000 0.788 294 P CB 0.396 32.089 31.700 -0.011 0.000 1.072 295 Q N 0.993 120.789 119.800 -0.006 0.000 2.096 295 Q HA 0.142 4.482 4.340 -0.000 0.000 0.197 295 Q C 1.133 177.142 176.000 0.015 0.000 0.964 295 Q CA 1.444 57.249 55.803 0.004 0.000 0.838 295 Q CB -0.503 28.235 28.738 -0.001 0.000 0.906 295 Q HN 0.229 nan 8.270 nan 0.000 0.444 296 G N -1.126 107.685 108.800 0.018 0.000 3.251 296 G HA2 0.310 4.270 3.960 -0.000 0.000 0.248 296 G HA3 0.310 4.270 3.960 -0.000 0.000 0.248 296 G C -0.441 174.487 174.900 0.046 0.000 1.320 296 G CA -0.501 44.618 45.100 0.033 0.000 0.982 296 G HN 0.069 nan 8.290 nan 0.000 0.575 297 K N -0.916 119.516 120.400 0.053 0.000 2.426 297 K HA 0.191 4.511 4.320 -0.000 0.000 0.193 297 K C 0.257 176.912 176.600 0.092 0.000 1.028 297 K CA 0.053 56.382 56.287 0.070 0.000 1.047 297 K CB 0.654 33.185 32.500 0.052 0.000 0.821 297 K HN 0.082 nan 8.250 nan 0.000 0.513 298 V N 2.898 122.859 119.914 0.078 0.000 2.405 298 V HA 0.054 4.174 4.120 -0.000 0.000 0.264 298 V C -0.186 175.967 176.094 0.099 0.000 1.048 298 V CA -0.432 61.921 62.300 0.087 0.000 0.966 298 V CB -0.300 31.558 31.823 0.058 0.000 1.015 298 V HN 0.062 nan 8.190 nan 0.000 0.477 299 F N 6.415 126.367 119.950 0.003 0.000 2.484 299 F HA 0.387 4.914 4.527 -0.000 0.000 0.360 299 F C 0.483 176.283 175.800 -0.001 0.000 1.101 299 F CA 0.368 58.369 58.000 0.002 0.000 1.251 299 F CB 0.375 39.376 39.000 0.001 0.000 1.132 299 F HN 0.599 nan 8.300 nan 0.000 0.570 300 N N 4.391 122.617 118.700 -0.789 0.000 2.600 300 N HA 0.549 5.288 4.740 -0.000 0.000 0.272 300 N C -2.232 172.867 175.510 -0.686 0.000 1.095 300 N CA -0.256 52.485 53.050 -0.515 0.000 0.993 300 N CB 1.600 39.959 38.487 -0.213 0.000 1.603 300 N HN 0.846 nan 8.380 nan 0.000 0.526 301 A N 1.583 124.118 122.820 -0.475 0.000 2.594 301 A HA 0.938 5.257 4.320 -0.000 0.000 0.291 301 A C -0.818 176.723 177.584 -0.071 0.000 1.105 301 A CA -0.231 51.638 52.037 -0.280 0.000 0.694 301 A CB 1.804 20.646 19.000 -0.263 0.000 1.291 301 A HN 0.771 nan 8.150 nan 0.000 0.410 302 G N -0.538 108.240 108.800 -0.037 0.000 2.596 302 G HA2 0.472 4.432 3.960 -0.000 0.000 0.300 302 G HA3 0.472 4.432 3.960 -0.000 0.000 0.300 302 G C 0.147 175.014 174.900 -0.055 0.000 1.370 302 G CA 0.504 45.604 45.100 -0.000 0.000 1.170 302 G HN 0.768 nan 8.290 nan 0.000 0.594 303 T N 1.813 116.261 114.554 -0.176 0.000 2.699 303 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 303 T C 1.556 175.994 174.700 -0.436 0.000 1.036 303 T CA 1.876 63.729 62.100 -0.412 0.000 1.147 303 T CB -0.224 68.178 68.868 -0.777 0.000 0.862 303 T HN 0.394 nan 8.240 nan 0.000 0.446 304 F N 0.801 120.811 119.950 0.101 0.000 2.727 304 F HA 0.348 4.875 4.527 -0.000 0.000 0.302 304 F C 0.776 176.655 175.800 0.131 0.000 1.097 304 F CA -1.248 56.839 58.000 0.145 0.000 1.330 304 F CB -0.727 38.379 39.000 0.177 0.000 1.084 304 F HN -0.093 nan 8.300 nan 0.000 0.578 305 N N 1.474 120.294 118.700 0.200 0.000 2.357 305 N HA 0.224 4.964 4.740 -0.000 0.000 0.257 305 N C 0.944 176.559 175.510 0.175 0.000 1.250 305 N CA 0.990 54.150 53.050 0.183 0.000 0.862 305 N CB 0.326 38.884 38.487 0.119 0.000 1.066 305 N HN 0.296 nan 8.380 nan 0.000 0.468 306 A N 0.957 123.888 122.820 0.185 0.000 2.930 306 A HA -0.235 4.085 4.320 -0.000 0.000 0.273 306 A C 0.381 177.979 177.584 0.023 0.000 1.435 306 A CA 0.456 52.531 52.037 0.063 0.000 0.780 306 A CB -2.667 16.422 19.000 0.148 0.000 1.034 306 A HN 0.866 nan 8.150 nan 0.000 0.562 307 H N 0.185 119.258 119.070 0.005 0.000 3.192 307 H HA 0.052 4.608 4.556 -0.000 0.000 0.295 307 H C -1.025 174.240 175.328 -0.106 0.000 0.943 307 H CA 0.141 56.190 56.048 0.001 0.000 1.416 307 H CB 0.601 30.387 29.762 0.041 0.000 1.434 307 H HN 0.227 nan 8.280 nan 0.000 0.565 308 P HA -0.231 nan 4.420 nan 0.000 0.216 308 P C 1.636 178.853 177.300 -0.137 0.000 1.154 308 P CA 1.137 64.076 63.100 -0.268 0.000 0.865 308 P CB 0.299 31.673 31.700 -0.543 0.000 0.789 309 I N -1.534 119.028 120.570 -0.013 0.000 2.353 309 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 309 I C 1.992 177.899 176.117 -0.350 0.000 1.119 309 I CA 1.684 62.866 61.300 -0.198 0.000 1.417 309 I CB -2.002 35.816 38.000 -0.303 0.000 1.078 309 I HN 0.007 nan 8.210 nan 0.000 0.421 310 T N 1.269 115.741 114.554 -0.138 0.000 2.746 310 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 310 T C 2.007 176.608 174.700 -0.165 0.000 1.039 310 T CA 1.170 63.193 62.100 -0.128 0.000 1.142 310 T CB -0.040 68.819 68.868 -0.015 0.000 0.866 310 T HN 0.117 nan 8.240 nan 0.000 0.444 311 M N 1.091 120.579 119.600 -0.188 0.000 2.132 311 M HA 0.060 4.540 4.480 -0.000 0.000 0.263 311 M C 2.819 179.023 176.300 -0.160 0.000 1.065 311 M CA 1.342 56.499 55.300 -0.239 0.000 1.122 311 M CB -1.444 31.021 32.600 -0.226 0.000 1.365 311 M HN 0.300 nan 8.290 nan 0.000 0.411 312 A N 0.225 122.960 122.820 -0.140 0.000 1.898 312 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 312 A C 2.437 179.959 177.584 -0.103 0.000 1.181 312 A CA 1.972 53.945 52.037 -0.106 0.000 0.620 312 A CB -0.872 18.067 19.000 -0.101 0.000 0.819 312 A HN 0.469 nan 8.150 nan 0.000 0.442 313 A N -0.525 122.207 122.820 -0.147 0.000 1.930 313 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 313 A C 2.358 179.920 177.584 -0.037 0.000 1.175 313 A CA 1.838 53.835 52.037 -0.067 0.000 0.627 313 A CB -1.236 17.748 19.000 -0.025 0.000 0.815 313 A HN 0.680 nan 8.150 nan 0.000 0.443 314 G N -0.328 108.428 108.800 -0.073 0.000 2.394 314 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.215 314 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.215 314 G C 1.480 176.321 174.900 -0.100 0.000 1.165 314 G CA 1.082 46.127 45.100 -0.091 0.000 0.784 314 G HN 0.460 nan 8.290 nan 0.000 0.535 315 L N 1.400 122.574 121.223 -0.082 0.000 2.017 315 L HA 0.152 4.492 4.340 -0.000 0.000 0.208 315 L C 3.044 179.893 176.870 -0.036 0.000 1.073 315 L CA 2.209 57.018 54.840 -0.052 0.000 0.745 315 L CB -0.662 41.376 42.059 -0.035 0.000 0.894 315 L HN 0.218 nan 8.230 nan 0.000 0.432 316 A N -1.679 121.124 122.820 -0.029 0.000 1.933 316 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 316 A C 2.265 179.836 177.584 -0.022 0.000 1.175 316 A CA 2.253 54.287 52.037 -0.006 0.000 0.628 316 A CB -1.197 17.811 19.000 0.012 0.000 0.814 316 A HN 0.520 nan 8.150 nan 0.000 0.444 317 T N 0.180 114.700 114.554 -0.055 0.000 2.708 317 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 317 T C 1.723 176.351 174.700 -0.120 0.000 1.037 317 T CA 1.596 63.633 62.100 -0.105 0.000 1.146 317 T CB -0.320 68.478 68.868 -0.117 0.000 0.865 317 T HN 0.231 nan 8.240 nan 0.000 0.435 318 L N 0.921 122.070 121.223 -0.123 0.000 2.131 318 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 318 L C 2.356 179.222 176.870 -0.007 0.000 1.092 318 L CA 1.614 56.391 54.840 -0.105 0.000 0.759 318 L CB -0.526 41.452 42.059 -0.136 0.000 0.903 318 L HN 0.176 nan 8.230 nan 0.000 0.435 319 K N -0.901 119.501 120.400 0.003 0.000 2.097 319 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 319 K C 2.149 178.760 176.600 0.019 0.000 1.049 319 K CA 1.239 57.547 56.287 0.035 0.000 0.933 319 K CB -0.276 32.243 32.500 0.033 0.000 0.717 319 K HN 0.322 nan 8.250 nan 0.000 0.442 320 A N 1.296 124.106 122.820 -0.018 0.000 1.930 320 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 320 A C 2.042 179.575 177.584 -0.085 0.000 1.175 320 A CA 1.082 53.095 52.037 -0.041 0.000 0.627 320 A CB -0.528 18.401 19.000 -0.119 0.000 0.815 320 A HN 0.153 nan 8.150 nan 0.000 0.443 321 L N -0.728 120.431 121.223 -0.107 0.000 2.275 321 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 321 L C 2.327 179.186 176.870 -0.018 0.000 1.119 321 L CA 1.297 56.052 54.840 -0.142 0.000 0.790 321 L CB -0.446 41.564 42.059 -0.081 0.000 0.919 321 L HN 0.485 nan 8.230 nan 0.000 0.443 322 E N -0.153 120.073 120.200 0.044 0.000 2.190 322 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 322 E C 1.616 178.260 176.600 0.074 0.000 0.978 322 E CA 0.611 57.071 56.400 0.100 0.000 0.839 322 E CB 0.209 29.998 29.700 0.148 0.000 0.787 322 E HN 0.516 nan 8.360 nan 0.000 0.473 323 E N 0.349 120.576 120.200 0.044 0.000 2.431 323 E HA 0.076 4.426 4.350 -0.000 0.000 0.200 323 E C -0.050 176.565 176.600 0.025 0.000 0.995 323 E CA 0.168 56.593 56.400 0.040 0.000 0.915 323 E CB 0.571 30.297 29.700 0.043 0.000 0.930 323 E HN 0.148 nan 8.360 nan 0.000 0.496 324 E N 1.192 121.391 120.200 -0.003 0.000 2.235 324 E HA 0.168 4.518 4.350 -0.000 0.000 0.265 324 E C -2.268 174.306 176.600 -0.044 0.000 0.940 324 E CA -2.204 54.186 56.400 -0.015 0.000 0.819 324 E CB 1.377 31.066 29.700 -0.019 0.000 1.206 324 E HN -0.114 nan 8.360 nan 0.000 0.409 325 P HA 0.008 nan 4.420 nan 0.000 0.246 325 P C 0.702 177.961 177.300 -0.068 0.000 1.686 325 P CA 0.186 63.276 63.100 -0.018 0.000 0.867 325 P CB -0.074 31.632 31.700 0.009 0.000 1.733 326 V N -0.571 119.230 119.914 -0.189 0.000 2.287 326 V HA -0.292 3.827 4.120 -0.000 0.000 0.248 326 V C 2.072 178.024 176.094 -0.237 0.000 1.053 326 V CA 1.966 64.094 62.300 -0.287 0.000 1.027 326 V CB -1.524 29.998 31.823 -0.502 0.000 0.646 326 V HN 0.133 nan 8.190 nan 0.000 0.447 327 Y N 1.673 121.971 120.300 -0.004 0.000 2.145 327 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 327 Y C 2.988 178.896 175.900 0.013 0.000 1.145 327 Y CA 1.501 59.602 58.100 0.003 0.000 1.148 327 Y CB -1.292 37.170 38.460 0.002 0.000 0.981 327 Y HN 0.422 nan 8.280 nan 0.000 0.507 328 S N -0.647 115.146 115.700 0.155 0.000 2.356 328 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 328 S C 2.128 176.769 174.600 0.068 0.000 1.032 328 S CA 1.390 59.650 58.200 0.100 0.000 1.005 328 S CB -1.212 62.033 63.200 0.075 0.000 0.867 328 S HN 0.173 nan 8.310 nan 0.000 0.449 329 V N 2.337 122.276 119.914 0.042 0.000 2.255 329 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 329 V C 2.943 179.065 176.094 0.047 0.000 1.051 329 V CA 2.257 64.576 62.300 0.031 0.000 1.018 329 V CB -1.214 30.612 31.823 0.004 0.000 0.641 329 V HN 0.579 nan 8.190 nan 0.000 0.445 330 S N -0.669 115.058 115.700 0.045 0.000 2.382 330 S HA -0.234 4.235 4.470 -0.000 0.000 0.228 330 S C 2.076 176.728 174.600 0.087 0.000 1.027 330 S CA 1.837 60.081 58.200 0.074 0.000 0.991 330 S CB -0.397 62.843 63.200 0.067 0.000 0.823 330 S HN 0.569 nan 8.310 nan 0.000 0.469 331 R N 1.305 121.859 120.500 0.090 0.000 2.066 331 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 331 R C 1.875 178.211 176.300 0.060 0.000 1.131 331 R CA 1.353 57.500 56.100 0.079 0.000 0.955 331 R CB -0.149 30.204 30.300 0.089 0.000 0.851 331 R HN 0.196 nan 8.270 nan 0.000 0.432 332 E N 0.544 120.778 120.200 0.056 0.000 2.153 332 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 332 E C 1.841 178.463 176.600 0.037 0.000 0.988 332 E CA 1.285 57.711 56.400 0.043 0.000 0.811 332 E CB -0.292 29.432 29.700 0.040 0.000 0.746 332 E HN 0.498 nan 8.360 nan 0.000 0.466 333 A N 1.515 124.362 122.820 0.045 0.000 1.873 333 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 333 A C 2.444 180.032 177.584 0.008 0.000 1.186 333 A CA 2.115 54.172 52.037 0.034 0.000 0.616 333 A CB -0.679 18.368 19.000 0.078 0.000 0.823 333 A HN 0.272 nan 8.150 nan 0.000 0.442 334 A N -0.335 122.498 122.820 0.021 0.000 1.933 334 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 334 A C 2.139 179.725 177.584 0.005 0.000 1.175 334 A CA 2.032 54.071 52.037 0.002 0.000 0.628 334 A CB -0.456 18.553 19.000 0.015 0.000 0.814 334 A HN 0.566 nan 8.150 nan 0.000 0.444 335 K N -0.309 120.102 120.400 0.019 0.000 2.057 335 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 335 K C 2.154 178.762 176.600 0.015 0.000 1.049 335 K CA 1.192 57.493 56.287 0.023 0.000 0.931 335 K CB -0.329 32.189 32.500 0.030 0.000 0.714 335 K HN 0.361 nan 8.250 nan 0.000 0.440 336 A N 1.255 124.080 122.820 0.008 0.000 1.902 336 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 336 A C 2.099 179.677 177.584 -0.010 0.000 1.181 336 A CA 1.285 53.323 52.037 0.001 0.000 0.623 336 A CB -0.566 18.433 19.000 -0.001 0.000 0.818 336 A HN 0.316 nan 8.150 nan 0.000 0.443 337 L N -0.966 120.243 121.223 -0.022 0.000 2.056 337 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 337 L C 2.647 179.507 176.870 -0.017 0.000 1.078 337 L CA 1.770 56.589 54.840 -0.035 0.000 0.749 337 L CB -0.458 41.565 42.059 -0.060 0.000 0.901 337 L HN 0.579 nan 8.230 nan 0.000 0.433 338 E N 0.444 120.643 120.200 -0.001 0.000 2.077 338 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 338 E C 1.981 178.601 176.600 0.033 0.000 0.989 338 E CA 1.256 57.670 56.400 0.024 0.000 0.800 338 E CB 0.107 29.828 29.700 0.035 0.000 0.746 338 E HN 0.500 nan 8.360 nan 0.000 0.452 339 E N 0.185 120.400 120.200 0.024 0.000 2.077 339 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 339 E C 2.053 178.662 176.600 0.014 0.000 0.989 339 E CA 0.947 57.362 56.400 0.025 0.000 0.800 339 E CB -0.147 29.565 29.700 0.019 0.000 0.746 339 E HN 0.339 nan 8.360 nan 0.000 0.452 340 A N 1.533 124.353 122.820 -0.001 0.000 1.902 340 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 340 A C 2.398 179.968 177.584 -0.024 0.000 1.181 340 A CA 1.716 53.745 52.037 -0.014 0.000 0.623 340 A CB -0.647 18.338 19.000 -0.023 0.000 0.818 340 A HN 0.293 nan 8.150 nan 0.000 0.443 341 A N -0.675 122.131 122.820 -0.023 0.000 1.898 341 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 341 A C 2.449 179.985 177.584 -0.079 0.000 1.181 341 A CA 2.022 54.030 52.037 -0.048 0.000 0.620 341 A CB -0.890 18.093 19.000 -0.027 0.000 0.819 341 A HN 0.442 nan 8.150 nan 0.000 0.442 342 S N -0.706 114.997 115.700 0.005 0.000 2.368 342 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 342 S C 1.970 176.580 174.600 0.016 0.000 1.030 342 S CA 1.414 59.655 58.200 0.068 0.000 0.999 342 S CB -0.299 62.994 63.200 0.155 0.000 0.844 342 S HN 0.727 nan 8.310 nan 0.000 0.459 343 E N 0.676 120.879 120.200 0.005 0.000 2.058 343 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 343 E C 1.948 178.531 176.600 -0.028 0.000 0.997 343 E CA 1.375 57.775 56.400 0.000 0.000 0.801 343 E CB -0.030 29.669 29.700 -0.001 0.000 0.746 343 E HN 0.311 nan 8.360 nan 0.000 0.450 344 V N 1.155 121.035 119.914 -0.057 0.000 2.307 344 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 344 V C 2.470 178.495 176.094 -0.116 0.000 1.045 344 V CA 1.416 63.674 62.300 -0.070 0.000 1.024 344 V CB -0.410 31.373 31.823 -0.067 0.000 0.651 344 V HN 0.311 nan 8.190 nan 0.000 0.449 345 L N -0.243 120.836 121.223 -0.239 0.000 2.093 345 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 345 L C 2.342 179.073 176.870 -0.231 0.000 1.085 345 L CA 1.356 55.937 54.840 -0.432 0.000 0.755 345 L CB -0.692 40.667 42.059 -1.167 0.000 0.904 345 L HN 0.332 nan 8.230 nan 0.000 0.435 346 D N 0.177 120.539 120.400 -0.063 0.000 2.178 346 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 346 D C 2.274 178.601 176.300 0.044 0.000 0.980 346 D CA 1.020 55.078 54.000 0.097 0.000 0.842 346 D CB -0.083 40.787 40.800 0.115 0.000 0.948 346 D HN 0.277 nan 8.370 nan 0.000 0.472 347 R N 0.041 120.544 120.500 0.005 0.000 2.189 347 R HA -0.058 4.282 4.340 -0.000 0.000 0.223 347 R C 2.174 178.477 176.300 0.005 0.000 1.092 347 R CA 1.400 57.503 56.100 0.005 0.000 0.989 347 R CB -0.244 30.053 30.300 -0.005 0.000 0.876 347 R HN 0.267 nan 8.270 nan 0.000 0.457 348 T N -3.581 110.971 114.554 -0.004 0.000 3.067 348 T HA 0.108 4.457 4.350 -0.000 0.000 0.261 348 T C 1.606 176.318 174.700 0.021 0.000 1.110 348 T CA 0.674 62.776 62.100 0.003 0.000 1.113 348 T CB 0.387 69.246 68.868 -0.014 0.000 0.917 348 T HN 0.360 nan 8.240 nan 0.000 0.499 349 G N 0.967 109.792 108.800 0.041 0.000 2.189 349 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.267 349 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.267 349 G C -0.124 174.813 174.900 0.061 0.000 0.975 349 G CA 0.325 45.456 45.100 0.052 0.000 0.644 349 G HN 0.590 nan 8.290 nan 0.000 0.537 350 L N 2.262 123.523 121.223 0.063 0.000 2.417 350 L HA 0.471 4.811 4.340 -0.000 0.000 0.268 350 L C -1.177 175.774 176.870 0.135 0.000 1.158 350 L CA -1.854 53.022 54.840 0.061 0.000 0.819 350 L CB 0.264 42.329 42.059 0.010 0.000 1.112 350 L HN 0.016 nan 8.230 nan 0.000 0.458 351 P HA 0.227 nan 4.420 nan 0.000 0.276 351 P C -1.522 175.864 177.300 0.142 0.000 1.243 351 P CA -0.007 63.138 63.100 0.075 0.000 0.768 351 P CB 0.546 32.256 31.700 0.017 0.000 0.856 352 Y N -0.841 119.440 120.300 -0.033 0.000 2.713 352 Y HA 0.747 5.297 4.550 -0.000 0.000 0.335 352 Y C -1.662 174.251 175.900 0.022 0.000 1.222 352 Y CA -1.038 57.051 58.100 -0.018 0.000 1.061 352 Y CB 0.870 39.300 38.460 -0.050 0.000 1.314 352 Y HN 0.476 nan 8.280 nan 0.000 0.453 353 T N 2.209 116.729 114.554 -0.056 0.000 2.932 353 T HA 0.712 5.061 4.350 -0.000 0.000 0.318 353 T C -2.046 172.783 174.700 0.214 0.000 1.265 353 T CA -0.549 61.479 62.100 -0.119 0.000 1.036 353 T CB 1.008 69.832 68.868 -0.074 0.000 1.209 353 T HN 0.745 nan 8.240 nan 0.000 0.484 354 I N 4.110 124.774 120.570 0.156 0.000 2.466 354 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 354 I C -0.556 175.656 176.117 0.159 0.000 1.026 354 I CA -1.054 60.362 61.300 0.193 0.000 1.078 354 I CB 2.042 40.142 38.000 0.167 0.000 1.249 354 I HN 0.496 nan 8.210 nan 0.000 0.429 355 N N 6.196 125.018 118.700 0.202 0.000 2.400 355 N HA 0.538 5.278 4.740 -0.000 0.000 0.288 355 N C -0.887 174.679 175.510 0.092 0.000 1.024 355 N CA -0.560 52.585 53.050 0.158 0.000 0.894 355 N CB 2.370 40.989 38.487 0.221 0.000 1.173 355 N HN 0.545 nan 8.380 nan 0.000 0.487 356 R N 1.216 121.762 120.500 0.077 0.000 2.548 356 R HA 0.537 4.877 4.340 -0.000 0.000 0.280 356 R C -2.034 174.307 176.300 0.069 0.000 1.061 356 R CA -0.546 55.584 56.100 0.050 0.000 0.915 356 R CB 1.202 31.526 30.300 0.040 0.000 1.210 356 R HN 0.260 nan 8.270 nan 0.000 0.442 357 V N 5.536 125.478 119.914 0.047 0.000 2.462 357 V HA 0.278 4.398 4.120 -0.000 0.000 0.288 357 V C 0.178 176.256 176.094 -0.027 0.000 1.020 357 V CA -0.596 61.730 62.300 0.043 0.000 0.857 357 V CB 1.226 33.087 31.823 0.064 0.000 1.013 357 V HN 0.994 nan 8.190 nan 0.000 0.431 358 E N 2.949 123.145 120.200 -0.008 0.000 3.287 358 E HA -0.320 4.030 4.350 -0.000 0.000 0.405 358 E C 1.541 178.158 176.600 0.028 0.000 1.541 358 E CA 2.041 58.437 56.400 -0.006 0.000 1.405 358 E CB -1.315 28.319 29.700 -0.110 0.000 1.576 358 E HN 0.966 nan 8.360 nan 0.000 0.474 359 S N 1.531 117.261 115.700 0.050 0.000 2.660 359 S HA 0.303 4.772 4.470 -0.000 0.000 0.227 359 S C 1.058 175.708 174.600 0.084 0.000 0.948 359 S CA 0.425 58.680 58.200 0.091 0.000 0.948 359 S CB -0.606 62.681 63.200 0.145 0.000 0.779 359 S HN 0.369 nan 8.310 nan 0.000 0.487 360 M N 0.798 120.401 119.600 0.006 0.000 2.395 360 M HA 0.801 5.281 4.480 -0.000 0.000 0.307 360 M C -0.910 175.303 176.300 -0.145 0.000 1.091 360 M CA -0.863 54.346 55.300 -0.151 0.000 0.919 360 M CB 2.069 34.595 32.600 -0.125 0.000 1.662 360 M HN 0.289 nan 8.290 nan 0.000 0.440 361 M N 1.345 120.811 119.600 -0.224 0.000 2.949 361 M HA 0.801 5.281 4.480 -0.000 0.000 0.270 361 M C -2.068 174.117 176.300 -0.193 0.000 1.221 361 M CA -0.718 54.500 55.300 -0.137 0.000 0.818 361 M CB 2.463 35.014 32.600 -0.080 0.000 1.635 361 M HN 0.747 nan 8.290 nan 0.000 0.492 362 Q N 1.042 120.738 119.800 -0.174 0.000 2.545 362 Q HA 0.709 5.049 4.340 -0.000 0.000 0.273 362 Q C -2.558 173.188 176.000 -0.425 0.000 0.975 362 Q CA -0.430 55.174 55.803 -0.331 0.000 0.876 362 Q CB 2.351 30.792 28.738 -0.495 0.000 1.472 362 Q HN 0.800 nan 8.270 nan 0.000 0.389 363 L N 2.608 123.592 121.223 -0.398 0.000 2.334 363 L HA 0.679 5.019 4.340 -0.000 0.000 0.275 363 L C -0.788 175.788 176.870 -0.489 0.000 1.036 363 L CA 0.013 54.712 54.840 -0.235 0.000 0.807 363 L CB 0.850 42.908 42.059 -0.000 0.000 1.231 363 L HN 0.563 nan 8.230 nan 0.000 0.438 364 F N 3.181 123.197 119.950 0.110 0.000 2.612 364 F HA 0.475 5.002 4.527 -0.000 0.000 0.332 364 F C -0.314 175.510 175.800 0.040 0.000 1.167 364 F CA -0.690 57.344 58.000 0.057 0.000 0.970 364 F CB 1.108 40.112 39.000 0.008 0.000 1.234 364 F HN 0.107 nan 8.300 nan 0.000 0.453 365 I N 2.229 122.863 120.570 0.107 0.000 2.440 365 I HA 0.472 4.642 4.170 -0.000 0.000 0.294 365 I C 1.176 177.269 176.117 -0.040 0.000 0.995 365 I CA -0.276 60.963 61.300 -0.101 0.000 1.306 365 I CB 0.885 38.510 38.000 -0.625 0.000 1.407 365 I HN 0.859 nan 8.210 nan 0.000 0.501 366 G N 4.677 113.453 108.800 -0.039 0.000 2.176 366 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.253 366 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.253 366 G C 0.011 174.912 174.900 0.002 0.000 0.979 366 G CA 0.173 45.264 45.100 -0.016 0.000 0.641 366 G HN 0.904 nan 8.290 nan 0.000 0.530 367 V N -3.754 116.169 119.914 0.015 0.000 2.925 367 V HA 0.836 4.956 4.120 -0.000 0.000 0.311 367 V C 0.461 176.532 176.094 -0.039 0.000 1.104 367 V CA -0.410 61.878 62.300 -0.021 0.000 0.954 367 V CB 1.863 33.657 31.823 -0.048 0.000 1.022 367 V HN 0.116 nan 8.190 nan 0.000 0.427 368 E N 1.021 121.177 120.200 -0.073 0.000 2.481 368 E HA 0.264 4.614 4.350 -0.000 0.000 0.198 368 E C 0.095 176.623 176.600 -0.121 0.000 1.027 368 E CA 0.239 56.572 56.400 -0.111 0.000 0.900 368 E CB 0.870 30.509 29.700 -0.100 0.000 0.993 368 E HN 0.846 nan 8.360 nan 0.000 0.482 369 E N 0.596 120.721 120.200 -0.124 0.000 2.311 369 E HA 0.264 4.614 4.350 -0.000 0.000 0.281 369 E C -1.728 174.747 176.600 -0.210 0.000 0.905 369 E CA -0.447 55.868 56.400 -0.141 0.000 0.778 369 E CB 2.070 31.703 29.700 -0.111 0.000 1.240 369 E HN -0.162 nan 8.360 nan 0.000 0.410 370 V N 4.212 123.965 119.914 -0.269 0.000 2.385 370 V HA 0.190 4.310 4.120 -0.000 0.000 0.277 370 V C 0.459 176.406 176.094 -0.246 0.000 1.012 370 V CA -0.070 61.993 62.300 -0.395 0.000 0.832 370 V CB 1.006 32.288 31.823 -0.901 0.000 1.028 370 V HN 0.747 nan 8.190 nan 0.000 0.436 371 S N 2.092 117.689 115.700 -0.172 0.000 2.603 371 S HA 0.263 4.733 4.470 -0.000 0.000 0.232 371 S C 0.292 174.855 174.600 -0.061 0.000 1.016 371 S CA -0.080 58.058 58.200 -0.103 0.000 0.976 371 S CB 0.067 63.202 63.200 -0.108 0.000 0.921 371 S HN 0.822 nan 8.310 nan 0.000 0.516 372 N N -0.326 118.317 118.700 -0.095 0.000 2.825 372 N HA 0.682 5.422 4.740 -0.000 0.000 0.253 372 N C 0.588 176.037 175.510 -0.103 0.000 1.426 372 N CA -0.390 52.631 53.050 -0.048 0.000 0.851 372 N CB 0.647 39.109 38.487 -0.042 0.000 1.470 372 N HN -0.038 nan 8.380 nan 0.000 0.517 373 A N 0.144 122.919 122.820 -0.075 0.000 1.940 373 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 373 A C 2.096 179.633 177.584 -0.078 0.000 1.176 373 A CA 2.344 54.331 52.037 -0.084 0.000 0.631 373 A CB -1.564 17.406 19.000 -0.051 0.000 0.814 373 A HN 0.934 nan 8.150 nan 0.000 0.446 374 A N -0.716 122.069 122.820 -0.058 0.000 1.940 374 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 374 A C 2.113 179.649 177.584 -0.079 0.000 1.176 374 A CA 1.724 53.728 52.037 -0.053 0.000 0.631 374 A CB -0.519 18.459 19.000 -0.036 0.000 0.814 374 A HN 0.691 nan 8.150 nan 0.000 0.446 375 Q N -0.875 118.855 119.800 -0.117 0.000 2.123 375 Q HA 0.032 4.371 4.340 -0.000 0.000 0.199 375 Q C 2.411 178.285 176.000 -0.211 0.000 0.966 375 Q CA 0.999 56.709 55.803 -0.155 0.000 0.845 375 Q CB -0.327 28.299 28.738 -0.187 0.000 0.907 375 Q HN 0.674 nan 8.270 nan 0.000 0.439 376 A N 1.619 124.284 122.820 -0.257 0.000 1.902 376 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 376 A C 1.979 179.524 177.584 -0.066 0.000 1.181 376 A CA 1.185 53.058 52.037 -0.272 0.000 0.623 376 A CB -0.370 18.514 19.000 -0.193 0.000 0.818 376 A HN 0.206 nan 8.150 nan 0.000 0.443 377 R N -0.241 120.224 120.500 -0.058 0.000 2.193 377 R HA -0.058 4.281 4.340 -0.000 0.000 0.229 377 R C 1.522 177.816 176.300 -0.010 0.000 1.110 377 R CA 1.285 57.371 56.100 -0.024 0.000 0.988 377 R CB -0.207 30.076 30.300 -0.029 0.000 0.871 377 R HN 0.474 nan 8.270 nan 0.000 0.458 378 K N 0.537 120.921 120.400 -0.027 0.000 2.459 378 K HA 0.128 4.447 4.320 -0.000 0.000 0.193 378 K C 0.551 177.160 176.600 0.015 0.000 1.030 378 K CA -0.014 56.265 56.287 -0.012 0.000 1.026 378 K CB 0.434 32.915 32.500 -0.031 0.000 0.809 378 K HN 0.077 nan 8.250 nan 0.000 0.504 379 A N 1.963 124.810 122.820 0.046 0.000 2.445 379 A HA -0.032 4.288 4.320 -0.000 0.000 0.242 379 A C -0.083 177.562 177.584 0.101 0.000 1.075 379 A CA -0.276 51.827 52.037 0.110 0.000 0.777 379 A CB 0.202 19.367 19.000 0.275 0.000 1.013 379 A HN 0.136 nan 8.150 nan 0.000 0.493 380 D N 1.353 121.811 120.400 0.098 0.000 2.357 380 D HA 0.044 4.683 4.640 -0.000 0.000 0.265 380 D C 1.059 177.478 176.300 0.199 0.000 1.334 380 D CA 0.430 54.503 54.000 0.121 0.000 0.984 380 D CB 0.292 41.146 40.800 0.089 0.000 1.077 380 D HN 0.533 nan 8.370 nan 0.000 0.514 381 K N 2.562 123.057 120.400 0.158 0.000 2.025 381 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 381 K C 1.866 178.596 176.600 0.217 0.000 1.049 381 K CA 0.870 57.261 56.287 0.173 0.000 0.933 381 K CB 0.237 32.795 32.500 0.097 0.000 0.714 381 K HN 0.309 nan 8.250 nan 0.000 0.438 382 K N 0.267 120.772 120.400 0.174 0.000 2.074 382 K HA -0.194 4.125 4.320 -0.000 0.000 0.209 382 K C 2.025 178.729 176.600 0.174 0.000 1.048 382 K CA 1.589 57.965 56.287 0.149 0.000 0.926 382 K CB -0.267 32.304 32.500 0.118 0.000 0.713 382 K HN 0.089 nan 8.250 nan 0.000 0.444 383 F N 0.492 120.490 119.950 0.079 0.000 2.146 383 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 383 F C 2.227 178.059 175.800 0.053 0.000 1.096 383 F CA 1.113 59.146 58.000 0.055 0.000 1.275 383 F CB -0.455 38.579 39.000 0.057 0.000 1.008 383 F HN 0.012 nan 8.300 nan 0.000 0.480 384 Y N 0.289 120.791 120.300 0.336 0.000 2.145 384 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 384 Y C 2.289 178.240 175.900 0.085 0.000 1.145 384 Y CA 2.057 60.280 58.100 0.205 0.000 1.148 384 Y CB -0.757 37.783 38.460 0.133 0.000 0.981 384 Y HN -0.079 nan 8.280 nan 0.000 0.507 385 V N 0.761 120.817 119.914 0.238 0.000 2.332 385 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 385 V C 2.272 178.387 176.094 0.035 0.000 1.055 385 V CA 2.382 64.785 62.300 0.172 0.000 1.038 385 V CB -0.611 31.306 31.823 0.156 0.000 0.651 385 V HN 0.348 nan 8.190 nan 0.000 0.450 386 K N -0.524 119.836 120.400 -0.068 0.000 2.057 386 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 386 K C 2.101 178.548 176.600 -0.254 0.000 1.049 386 K CA 1.451 57.639 56.287 -0.164 0.000 0.931 386 K CB -0.386 31.975 32.500 -0.232 0.000 0.714 386 K HN 0.297 nan 8.250 nan 0.000 0.440 387 L N 0.832 121.838 121.223 -0.362 0.000 2.046 387 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 387 L C 2.359 179.053 176.870 -0.294 0.000 1.077 387 L CA 2.052 56.663 54.840 -0.381 0.000 0.747 387 L CB -0.733 41.067 42.059 -0.432 0.000 0.896 387 L HN 0.258 nan 8.230 nan 0.000 0.432 388 H N -0.438 118.409 119.070 -0.371 0.000 2.319 388 H HA -0.229 4.327 4.556 -0.000 0.000 0.299 388 H C 2.203 177.473 175.328 -0.097 0.000 1.092 388 H CA 2.305 58.222 56.048 -0.220 0.000 1.302 388 H CB -0.188 29.503 29.762 -0.118 0.000 1.373 388 H HN 0.614 nan 8.280 nan 0.000 0.497 389 E N -0.334 119.658 120.200 -0.347 0.000 2.077 389 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 389 E C 1.985 178.422 176.600 -0.270 0.000 0.989 389 E CA 1.202 57.395 56.400 -0.344 0.000 0.800 389 E CB 0.086 29.700 29.700 -0.144 0.000 0.746 389 E HN 0.529 nan 8.360 nan 0.000 0.452 390 E N 0.207 120.273 120.200 -0.224 0.000 2.072 390 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 390 E C 2.113 178.607 176.600 -0.178 0.000 0.985 390 E CA 1.056 57.344 56.400 -0.186 0.000 0.801 390 E CB -0.204 29.386 29.700 -0.183 0.000 0.750 390 E HN 0.459 nan 8.360 nan 0.000 0.452 391 M N 0.010 119.495 119.600 -0.191 0.000 2.159 391 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 391 M C 2.246 178.461 176.300 -0.141 0.000 1.063 391 M CA 0.804 56.014 55.300 -0.150 0.000 1.110 391 M CB -0.179 32.341 32.600 -0.133 0.000 1.374 391 M HN 0.063 nan 8.290 nan 0.000 0.411 392 L N 0.516 121.623 121.223 -0.193 0.000 2.093 392 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 392 L C 2.277 179.037 176.870 -0.184 0.000 1.085 392 L CA 1.833 56.563 54.840 -0.183 0.000 0.755 392 L CB -0.504 41.406 42.059 -0.249 0.000 0.904 392 L HN 0.164 nan 8.230 nan 0.000 0.435 393 R N -0.999 119.395 120.500 -0.176 0.000 2.237 393 R HA -0.027 4.313 4.340 -0.000 0.000 0.219 393 R C 1.372 177.597 176.300 -0.124 0.000 1.080 393 R CA 0.532 56.545 56.100 -0.146 0.000 0.995 393 R CB -0.121 30.100 30.300 -0.131 0.000 0.875 393 R HN 0.272 nan 8.270 nan 0.000 0.462 394 R N -0.403 120.025 120.500 -0.120 0.000 2.334 394 R HA 0.136 4.476 4.340 -0.000 0.000 0.216 394 R C 0.782 177.027 176.300 -0.093 0.000 0.905 394 R CA 0.608 56.649 56.100 -0.097 0.000 1.064 394 R CB 0.745 30.992 30.300 -0.089 0.000 1.046 394 R HN 0.364 nan 8.270 nan 0.000 0.508 395 G N 0.945 109.676 108.800 -0.115 0.000 2.149 395 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.235 395 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.235 395 G C -0.229 174.629 174.900 -0.070 0.000 1.018 395 G CA 0.150 45.181 45.100 -0.116 0.000 0.728 395 G HN 0.127 nan 8.290 nan 0.000 0.508 396 V N 0.278 120.159 119.914 -0.055 0.000 2.577 396 V HA 0.675 4.795 4.120 -0.000 0.000 0.303 396 V C -0.567 175.577 176.094 0.083 0.000 1.042 396 V CA -1.096 61.201 62.300 -0.005 0.000 0.872 396 V CB 1.814 33.613 31.823 -0.040 0.000 0.998 396 V HN 0.402 nan 8.190 nan 0.000 0.423 397 F N 7.397 127.313 119.950 -0.057 0.000 2.388 397 F HA 0.781 5.308 4.527 -0.000 0.000 0.358 397 F C -0.184 175.648 175.800 0.053 0.000 1.122 397 F CA -1.551 56.463 58.000 0.024 0.000 1.056 397 F CB 0.839 39.884 39.000 0.075 0.000 1.155 397 F HN 0.519 nan 8.300 nan 0.000 0.461 398 I N 2.847 123.354 120.570 -0.105 0.000 2.846 398 I HA 0.843 5.013 4.170 -0.000 0.000 0.307 398 I C -0.100 175.864 176.117 -0.254 0.000 1.053 398 I CA -1.504 59.653 61.300 -0.238 0.000 1.050 398 I CB 1.642 39.604 38.000 -0.064 0.000 1.239 398 I HN 0.658 nan 8.210 nan 0.000 0.439 399 A N 4.846 127.525 122.820 -0.236 0.000 2.587 399 A HA 0.217 4.537 4.320 -0.000 0.000 0.235 399 A C -1.548 176.030 177.584 -0.010 0.000 1.044 399 A CA -0.618 51.368 52.037 -0.085 0.000 0.754 399 A CB -0.669 18.379 19.000 0.079 0.000 0.968 399 A HN 0.758 nan 8.150 nan 0.000 0.509 400 P HA 0.022 nan 4.420 nan 0.000 0.245 400 P C 0.184 177.427 177.300 -0.095 0.000 1.212 400 P CA 0.722 63.453 63.100 -0.615 0.000 0.774 400 P CB 0.220 31.560 31.700 -0.600 0.000 0.999 401 S N -0.141 115.541 115.700 -0.031 0.000 2.532 401 S HA 0.260 4.730 4.470 -0.000 0.000 0.299 401 S C 0.819 175.095 174.600 -0.540 0.000 1.105 401 S CA -0.727 57.375 58.200 -0.164 0.000 1.018 401 S CB 0.594 63.701 63.200 -0.154 0.000 1.021 401 S HN -0.072 nan 8.310 nan 0.000 0.483 402 N N 3.269 121.437 118.700 -0.887 0.000 2.443 402 N HA 0.049 4.789 4.740 -0.000 0.000 0.184 402 N C 1.008 176.180 175.510 -0.563 0.000 1.037 402 N CA 0.690 52.966 53.050 -1.289 0.000 0.896 402 N CB -0.095 37.939 38.487 -0.755 0.000 0.959 402 N HN 0.672 nan 8.380 nan 0.000 0.442 403 L N 0.015 121.040 121.223 -0.330 0.000 2.611 403 L HA 0.186 4.526 4.340 -0.000 0.000 0.229 403 L C 0.493 177.263 176.870 -0.167 0.000 1.137 403 L CA 0.064 54.799 54.840 -0.175 0.000 0.901 403 L CB 0.043 42.022 42.059 -0.134 0.000 1.098 403 L HN 0.131 nan 8.230 nan 0.000 0.456 404 E N 0.435 120.517 120.200 -0.196 0.000 2.446 404 E HA 0.654 5.004 4.350 -0.000 0.000 0.251 404 E C -0.400 176.122 176.600 -0.129 0.000 1.087 404 E CA -0.365 55.976 56.400 -0.098 0.000 0.937 404 E CB 1.526 31.234 29.700 0.013 0.000 1.254 404 E HN 0.035 nan 8.360 nan 0.000 0.479 405 A N 0.087 122.843 122.820 -0.106 0.000 2.350 405 A HA 0.590 4.910 4.320 -0.000 0.000 0.318 405 A C -0.830 176.498 177.584 -0.426 0.000 1.132 405 A CA -0.638 51.180 52.037 -0.365 0.000 0.811 405 A CB 1.184 19.780 19.000 -0.675 0.000 1.313 405 A HN 0.219 nan 8.150 nan 0.000 0.454 406 V N 1.201 120.830 119.914 -0.476 0.000 2.370 406 V HA 0.474 4.594 4.120 -0.000 0.000 0.279 406 V C -1.133 174.694 176.094 -0.445 0.000 1.029 406 V CA 0.017 62.122 62.300 -0.325 0.000 0.870 406 V CB 0.397 32.101 31.823 -0.198 0.000 0.984 406 V HN 0.636 nan 8.190 nan 0.000 0.451 407 F N 2.552 122.464 119.950 -0.063 0.000 2.508 407 F HA 0.700 5.227 4.527 -0.000 0.000 0.325 407 F C 0.658 176.481 175.800 0.039 0.000 1.090 407 F CA -0.516 57.473 58.000 -0.017 0.000 0.945 407 F CB 2.309 41.294 39.000 -0.026 0.000 1.156 407 F HN 0.532 nan 8.300 nan 0.000 0.463 408 T N -0.749 113.976 114.554 0.285 0.000 2.932 408 T HA 0.956 5.306 4.350 -0.000 0.000 0.289 408 T C -0.234 174.619 174.700 0.256 0.000 1.039 408 T CA -0.790 61.542 62.100 0.386 0.000 1.024 408 T CB 1.968 70.975 68.868 0.233 0.000 1.090 408 T HN 0.884 nan 8.240 nan 0.000 0.496 409 G N -0.119 108.758 108.800 0.129 0.000 2.827 409 G HA2 0.497 4.457 3.960 -0.000 0.000 0.296 409 G HA3 0.497 4.457 3.960 -0.000 0.000 0.296 409 G C 0.158 174.937 174.900 -0.201 0.000 1.362 409 G CA -0.539 44.471 45.100 -0.149 0.000 0.809 409 G HN 0.821 nan 8.290 nan 0.000 0.522 410 L N 0.990 122.092 121.223 -0.201 0.000 2.043 410 L HA 0.044 4.384 4.340 -0.000 0.000 0.212 410 L C 0.118 176.910 176.870 -0.129 0.000 1.075 410 L CA 2.712 57.467 54.840 -0.142 0.000 0.752 410 L CB -0.698 41.281 42.059 -0.132 0.000 0.891 410 L HN 0.410 nan 8.230 nan 0.000 0.432 411 P HA -0.132 nan 4.420 nan 0.000 0.242 411 P C -0.286 176.931 177.300 -0.138 0.000 1.197 411 P CA 0.935 63.929 63.100 -0.177 0.000 0.765 411 P CB -0.550 31.023 31.700 -0.212 0.000 0.936 412 H N 1.121 120.150 119.070 -0.069 0.000 2.855 412 H HA 0.205 4.761 4.556 -0.000 0.000 0.238 412 H C 0.837 176.141 175.328 -0.039 0.000 1.847 412 H CA -0.431 55.577 56.048 -0.067 0.000 1.368 412 H CB -0.133 29.597 29.762 -0.054 0.000 1.758 412 H HN 0.342 nan 8.280 nan 0.000 0.546 413 Q N 0.571 120.417 119.800 0.075 0.000 2.685 413 Q HA 0.507 4.847 4.340 -0.000 0.000 0.301 413 Q C 0.266 176.291 176.000 0.041 0.000 0.924 413 Q CA -0.940 54.892 55.803 0.048 0.000 0.755 413 Q CB 1.496 30.254 28.738 0.034 0.000 1.470 413 Q HN 0.426 nan 8.270 nan 0.000 0.434 414 G N 1.187 110.009 108.800 0.037 0.000 2.582 414 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.288 414 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.288 414 G C 0.674 175.602 174.900 0.047 0.000 1.247 414 G CA 0.939 46.063 45.100 0.040 0.000 0.972 414 G HN 1.050 nan 8.290 nan 0.000 0.557 415 E N 0.405 120.643 120.200 0.064 0.000 2.049 415 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 415 E C 2.932 179.588 176.600 0.093 0.000 1.007 415 E CA 2.447 58.895 56.400 0.079 0.000 0.809 415 E CB -0.561 29.202 29.700 0.105 0.000 0.749 415 E HN 1.126 nan 8.360 nan 0.000 0.450 416 A N 1.139 124.026 122.820 0.112 0.000 1.903 416 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 416 A C 2.218 179.812 177.584 0.018 0.000 1.191 416 A CA 1.822 53.893 52.037 0.056 0.000 0.638 416 A CB -0.899 18.042 19.000 -0.098 0.000 0.823 416 A HN 0.436 nan 8.150 nan 0.000 0.451 417 L N -0.084 121.151 121.223 0.021 0.000 2.046 417 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 417 L C 2.185 179.048 176.870 -0.012 0.000 1.077 417 L CA 2.438 57.274 54.840 -0.007 0.000 0.747 417 L CB -0.737 41.331 42.059 0.016 0.000 0.896 417 L HN 0.541 nan 8.230 nan 0.000 0.432 418 E N -0.358 119.847 120.200 0.008 0.000 2.085 418 E HA -0.243 4.106 4.350 -0.000 0.000 0.194 418 E C 2.254 178.853 176.600 -0.002 0.000 0.994 418 E CA 1.782 58.185 56.400 0.005 0.000 0.801 418 E CB -0.237 29.471 29.700 0.015 0.000 0.743 418 E HN 0.572 nan 8.360 nan 0.000 0.453 419 I N 1.029 121.607 120.570 0.012 0.000 2.179 419 I HA -0.286 3.883 4.170 -0.000 0.000 0.242 419 I C 2.590 178.695 176.117 -0.021 0.000 1.088 419 I CA 0.999 62.304 61.300 0.008 0.000 1.357 419 I CB -0.393 37.635 38.000 0.047 0.000 1.051 419 I HN 0.095 nan 8.210 nan 0.000 0.409 420 A N 0.478 123.275 122.820 -0.038 0.000 1.877 420 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 420 A C 2.452 179.994 177.584 -0.070 0.000 1.186 420 A CA 1.819 53.811 52.037 -0.075 0.000 0.620 420 A CB -0.994 17.924 19.000 -0.136 0.000 0.822 420 A HN 0.240 nan 8.150 nan 0.000 0.443 421 V N 0.092 119.973 119.914 -0.056 0.000 2.295 421 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 421 V C 2.662 178.731 176.094 -0.043 0.000 1.049 421 V CA 2.465 64.736 62.300 -0.047 0.000 1.024 421 V CB -0.661 31.142 31.823 -0.033 0.000 0.648 421 V HN 0.734 nan 8.190 nan 0.000 0.447 422 E N 0.941 121.120 120.200 -0.036 0.000 2.106 422 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 422 E C 2.153 178.726 176.600 -0.046 0.000 0.984 422 E CA 1.528 57.907 56.400 -0.035 0.000 0.806 422 E CB -0.760 28.924 29.700 -0.027 0.000 0.750 422 E HN 0.461 nan 8.360 nan 0.000 0.458 423 G N 0.615 109.385 108.800 -0.051 0.000 2.408 423 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 423 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 423 G C 1.491 176.347 174.900 -0.074 0.000 1.150 423 G CA 0.886 45.948 45.100 -0.063 0.000 0.776 423 G HN 0.361 nan 8.290 nan 0.000 0.542 424 L N 0.500 121.679 121.223 -0.072 0.000 2.027 424 L HA 0.150 4.490 4.340 -0.000 0.000 0.206 424 L C 2.845 179.673 176.870 -0.069 0.000 1.074 424 L CA 1.532 56.326 54.840 -0.077 0.000 0.745 424 L CB -0.585 41.431 42.059 -0.073 0.000 0.898 424 L HN 0.106 nan 8.230 nan 0.000 0.433 425 R N -0.342 120.124 120.500 -0.057 0.000 2.082 425 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 425 R C 2.391 178.659 176.300 -0.053 0.000 1.136 425 R CA 2.028 58.098 56.100 -0.049 0.000 0.935 425 R CB -0.767 29.509 30.300 -0.040 0.000 0.842 425 R HN 0.659 nan 8.270 nan 0.000 0.430 426 S N 0.166 115.832 115.700 -0.056 0.000 2.383 426 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 426 S C 2.104 176.658 174.600 -0.077 0.000 1.026 426 S CA 1.460 59.624 58.200 -0.059 0.000 0.981 426 S CB -0.185 62.981 63.200 -0.056 0.000 0.818 426 S HN 0.130 nan 8.310 nan 0.000 0.472 427 S N 2.107 117.752 115.700 -0.092 0.000 2.382 427 S HA 0.126 4.596 4.470 -0.000 0.000 0.228 427 S C 1.796 176.313 174.600 -0.139 0.000 1.027 427 S CA 1.157 59.282 58.200 -0.124 0.000 0.991 427 S CB -0.564 62.552 63.200 -0.140 0.000 0.823 427 S HN 0.422 nan 8.310 nan 0.000 0.469 428 L N 1.166 122.329 121.223 -0.100 0.000 2.017 428 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 428 L C 2.463 179.303 176.870 -0.049 0.000 1.073 428 L CA 1.307 56.109 54.840 -0.062 0.000 0.745 428 L CB -0.425 41.624 42.059 -0.018 0.000 0.894 428 L HN 0.244 nan 8.230 nan 0.000 0.432 429 K N -0.742 119.629 120.400 -0.048 0.000 2.063 429 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 429 K C 2.053 178.622 176.600 -0.052 0.000 1.048 429 K CA 1.871 58.135 56.287 -0.037 0.000 0.928 429 K CB -0.342 32.136 32.500 -0.037 0.000 0.713 429 K HN 0.297 nan 8.250 nan 0.000 0.442 430 T N 1.098 115.605 114.554 -0.079 0.000 2.674 430 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 430 T C 2.041 176.672 174.700 -0.116 0.000 1.039 430 T CA 1.399 63.445 62.100 -0.090 0.000 1.150 430 T CB -0.201 68.605 68.868 -0.103 0.000 0.864 430 T HN -0.045 nan 8.240 nan 0.000 0.427 431 V N 1.398 121.198 119.914 -0.189 0.000 2.407 431 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 431 V C 2.452 178.456 176.094 -0.151 0.000 1.055 431 V CA 1.414 63.537 62.300 -0.295 0.000 1.049 431 V CB -0.687 30.722 31.823 -0.689 0.000 0.662 431 V HN 0.415 nan 8.190 nan 0.000 0.455 432 L N 0.476 121.683 121.223 -0.027 0.000 2.109 432 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 432 L C 2.523 179.416 176.870 0.039 0.000 1.086 432 L CA 1.519 56.417 54.840 0.098 0.000 0.760 432 L CB -0.881 41.244 42.059 0.110 0.000 0.910 432 L HN 0.462 nan 8.230 nan 0.000 0.437 433 G N -1.237 107.562 108.800 -0.001 0.000 2.598 433 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 433 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 433 G C 0.982 175.877 174.900 -0.009 0.000 1.131 433 G CA 0.299 45.396 45.100 -0.005 0.000 0.785 433 G HN 0.269 nan 8.290 nan 0.000 0.539 434 S N 0.000 115.689 115.700 -0.019 0.000 2.498 434 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 434 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 434 S CB 0.000 63.173 63.200 -0.046 0.000 0.593 434 S HN 0.000 nan 8.310 nan 0.000 0.517