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 3cxh_1_L DATA FIRST_RESID 27 DATA SEQUENCE AEVTQLSNGI VVATEHNPSA HTASVGVVFG SGAANENPYN NGVSNLWKNI DATA SEQUENCE FLSKENSAVA AKEGLALSSN ISRDFQSYIV SSLPGSTDKS LDFLNQSFIQ DATA SEQUENCE QKANLLSSSN FEATKKSVLK QVQDFEDNDH PNRVLEHLHS TAFQNTPLSL DATA SEQUENCE PTRGTLESLE NLVVADLESF ANNHFLNSNA VVVGTGNIKH EDLVNSIESK DATA SEQUENCE NLSLQTGTKP VLKKKAAFLG SEVRLRDDTL PKAWISLAVE GEPVNSPNYF DATA SEQUENCE VAKLAAQIFG SYNAFEPASR LQGIKLLDNI QEYQLCDNFN HFSLSYKDSG DATA SEQUENCE LWGFSTATRN VTMIDDLIHF TLKQWNRLTI SVTDTEVERA KSLLKLQLGQ DATA SEQUENCE LYESGNPVND ANLLGAEVLI KGSKLSLGEA FKKIDAITVK DVKAWAGKRL DATA SEQUENCE WDQDIAIAGT GQIEGLLDYM RIRSDMSMMR W 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.527 177.584 -0.095 0.000 1.274 27 A CA 0.000 51.984 52.037 -0.088 0.000 0.836 27 A CB 0.000 18.936 19.000 -0.106 0.000 0.831 28 E N 2.128 122.280 120.200 -0.080 0.000 2.263 28 E HA 0.638 4.988 4.350 -0.000 0.000 0.268 28 E C -1.016 175.579 176.600 -0.008 0.000 0.884 28 E CA -0.542 55.834 56.400 -0.041 0.000 0.766 28 E CB 2.019 31.714 29.700 -0.008 0.000 1.196 28 E HN 0.519 nan 8.360 nan 0.000 0.416 29 V N 2.143 122.047 119.914 -0.018 0.000 3.096 29 V HA 0.669 4.789 4.120 -0.000 0.000 0.319 29 V C -0.163 175.907 176.094 -0.041 0.000 1.082 29 V CA -0.552 61.728 62.300 -0.033 0.000 1.022 29 V CB 1.809 33.598 31.823 -0.057 0.000 1.103 29 V HN 0.898 nan 8.190 nan 0.000 0.455 30 T N 0.492 114.977 114.554 -0.115 0.000 3.705 30 T HA 0.519 4.869 4.350 -0.000 0.000 0.342 30 T C -1.105 173.356 174.700 -0.400 0.000 1.043 30 T CA -0.640 61.337 62.100 -0.205 0.000 1.071 30 T CB 1.226 69.972 68.868 -0.203 0.000 1.124 30 T HN 0.782 nan 8.240 nan 0.000 0.467 31 Q N 3.413 123.062 119.800 -0.251 0.000 2.289 31 Q HA 0.755 5.095 4.340 -0.000 0.000 0.270 31 Q C -1.917 174.077 176.000 -0.010 0.000 1.038 31 Q CA -0.909 54.782 55.803 -0.186 0.000 0.812 31 Q CB 1.916 30.592 28.738 -0.103 0.000 1.300 31 Q HN 0.799 nan 8.270 nan 0.000 0.427 32 L N 1.039 122.316 121.223 0.090 0.000 2.341 32 L HA 0.751 5.091 4.340 -0.000 0.000 0.254 32 L C -0.698 176.221 176.870 0.082 0.000 1.040 32 L CA -0.830 54.090 54.840 0.133 0.000 0.837 32 L CB 2.533 44.729 42.059 0.227 0.000 1.425 32 L HN 0.642 nan 8.230 nan 0.000 0.414 33 S N -0.232 115.500 115.700 0.054 0.000 2.579 33 S HA 0.607 5.077 4.470 -0.000 0.000 0.272 33 S C -1.169 173.446 174.600 0.025 0.000 1.141 33 S CA -0.463 57.758 58.200 0.035 0.000 0.843 33 S CB 1.511 64.725 63.200 0.023 0.000 1.122 33 S HN 0.816 nan 8.310 nan 0.000 0.468 34 N N 0.535 119.247 118.700 0.019 0.000 2.297 34 N HA 0.376 5.116 4.740 -0.000 0.000 0.244 34 N C 0.513 176.030 175.510 0.012 0.000 1.412 34 N CA 0.162 53.219 53.050 0.013 0.000 0.837 34 N CB 0.646 39.139 38.487 0.010 0.000 1.336 34 N HN 0.984 nan 8.380 nan 0.000 0.508 35 G N 0.681 109.489 108.800 0.013 0.000 2.905 35 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.199 35 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.199 35 G C -0.544 174.366 174.900 0.016 0.000 1.370 35 G CA -0.281 44.827 45.100 0.013 0.000 0.966 35 G HN 0.188 nan 8.290 nan 0.000 0.522 36 I N 2.383 122.963 120.570 0.016 0.000 2.352 36 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 36 I C 0.600 176.727 176.117 0.017 0.000 1.036 36 I CA -0.590 60.720 61.300 0.016 0.000 1.336 36 I CB 1.748 39.758 38.000 0.017 0.000 1.407 36 I HN 0.141 nan 8.210 nan 0.000 0.497 37 V N 8.957 128.877 119.914 0.011 0.000 2.455 37 V HA 0.262 4.382 4.120 -0.000 0.000 0.273 37 V C -0.058 176.040 176.094 0.006 0.000 1.045 37 V CA -0.060 62.246 62.300 0.010 0.000 0.976 37 V CB 1.289 33.113 31.823 0.002 0.000 0.993 37 V HN 0.434 nan 8.190 nan 0.000 0.475 38 V N 6.709 126.641 119.914 0.030 0.000 2.513 38 V HA 0.894 5.014 4.120 -0.000 0.000 0.299 38 V C 0.287 176.378 176.094 -0.005 0.000 1.035 38 V CA -0.028 62.296 62.300 0.041 0.000 0.889 38 V CB 1.408 33.302 31.823 0.118 0.000 0.988 38 V HN 1.144 nan 8.190 nan 0.000 0.440 39 A N 3.252 126.043 122.820 -0.048 0.000 2.427 39 A HA 0.925 5.244 4.320 -0.000 0.000 0.298 39 A C -0.231 177.290 177.584 -0.105 0.000 1.036 39 A CA -0.281 51.681 52.037 -0.125 0.000 0.701 39 A CB 1.973 20.918 19.000 -0.093 0.000 1.250 39 A HN 0.956 nan 8.150 nan 0.000 0.412 40 T N -1.200 113.254 114.554 -0.166 0.000 2.864 40 T HA 0.814 5.164 4.350 -0.000 0.000 0.289 40 T C -0.762 173.918 174.700 -0.034 0.000 1.082 40 T CA -0.602 61.460 62.100 -0.063 0.000 1.009 40 T CB 2.034 70.907 68.868 0.009 0.000 1.234 40 T HN 0.771 nan 8.240 nan 0.000 0.526 41 E N 1.016 121.235 120.200 0.031 0.000 2.551 41 E HA 0.209 4.559 4.350 -0.000 0.000 0.321 41 E C -0.882 175.759 176.600 0.067 0.000 0.975 41 E CA -0.652 55.778 56.400 0.050 0.000 0.784 41 E CB 0.457 30.153 29.700 -0.006 0.000 1.493 41 E HN 0.962 nan 8.360 nan 0.000 0.385 42 H N 2.048 121.120 119.070 0.003 0.000 2.852 42 H HA 0.379 4.935 4.556 -0.000 0.000 0.362 42 H C -0.254 175.082 175.328 0.014 0.000 1.122 42 H CA -0.373 55.684 56.048 0.014 0.000 1.419 42 H CB 0.729 30.502 29.762 0.019 0.000 1.401 42 H HN 0.244 nan 8.280 nan 0.000 0.609 43 N N 3.155 121.840 118.700 -0.025 0.000 2.701 43 N HA 0.111 4.851 4.740 -0.000 0.000 0.258 43 N C -2.239 173.286 175.510 0.025 0.000 1.262 43 N CA -2.191 50.820 53.050 -0.065 0.000 0.780 43 N CB 1.099 39.563 38.487 -0.038 0.000 1.380 43 N HN 0.475 nan 8.380 nan 0.000 0.548 44 P HA -0.134 nan 4.420 nan 0.000 0.218 44 P C 0.365 177.703 177.300 0.063 0.000 1.146 44 P CA 1.136 64.274 63.100 0.063 0.000 0.820 44 P CB 0.166 31.907 31.700 0.069 0.000 0.778 45 S N -2.278 113.468 115.700 0.076 0.000 2.552 45 S HA 0.559 5.029 4.470 -0.000 0.000 0.246 45 S C 1.488 176.216 174.600 0.214 0.000 1.019 45 S CA -0.075 58.212 58.200 0.144 0.000 1.045 45 S CB -0.182 63.073 63.200 0.092 0.000 0.784 45 S HN 0.089 nan 8.310 nan 0.000 0.453 46 A N 1.612 124.546 122.820 0.191 0.000 1.855 46 A HA 0.193 4.513 4.320 -0.000 0.000 0.213 46 A C 1.312 179.079 177.584 0.306 0.000 1.195 46 A CA 1.518 53.660 52.037 0.174 0.000 0.610 46 A CB -0.696 18.359 19.000 0.092 0.000 0.837 46 A HN 0.709 nan 8.150 nan 0.000 0.444 47 H N -1.516 117.559 119.070 0.008 0.000 4.089 47 H HA -0.137 4.419 4.556 -0.000 0.000 0.142 47 H C 0.454 175.786 175.328 0.006 0.000 0.778 47 H CA 1.433 57.484 56.048 0.006 0.000 1.258 47 H CB -2.099 27.665 29.762 0.004 0.000 0.810 47 H HN 0.932 nan 8.280 nan 0.000 0.487 48 T N -2.969 111.655 114.554 0.117 0.000 2.731 48 T HA 0.909 5.259 4.350 -0.000 0.000 0.300 48 T C -0.891 173.839 174.700 0.051 0.000 1.283 48 T CA -0.382 61.757 62.100 0.065 0.000 1.005 48 T CB 2.544 71.445 68.868 0.055 0.000 1.420 48 T HN 0.921 nan 8.240 nan 0.000 0.503 49 A N 0.364 123.206 122.820 0.038 0.000 2.549 49 A HA 0.817 5.137 4.320 -0.000 0.000 0.297 49 A C -0.774 176.830 177.584 0.033 0.000 1.061 49 A CA -0.815 51.244 52.037 0.037 0.000 0.690 49 A CB 1.789 20.811 19.000 0.036 0.000 1.287 49 A HN 0.910 nan 8.150 nan 0.000 0.402 50 S N 0.052 115.773 115.700 0.035 0.000 2.532 50 S HA 0.691 5.161 4.470 -0.000 0.000 0.299 50 S C -0.816 173.807 174.600 0.039 0.000 1.105 50 S CA -0.461 57.761 58.200 0.037 0.000 1.018 50 S CB 1.579 64.800 63.200 0.035 0.000 1.021 50 S HN 0.826 nan 8.310 nan 0.000 0.483 51 V N 1.953 121.895 119.914 0.047 0.000 2.735 51 V HA 1.012 5.132 4.120 -0.000 0.000 0.310 51 V C 0.482 176.608 176.094 0.054 0.000 1.061 51 V CA -0.327 62.001 62.300 0.046 0.000 0.913 51 V CB 1.732 33.585 31.823 0.051 0.000 1.005 51 V HN 1.068 nan 8.190 nan 0.000 0.428 52 G N 1.421 110.239 108.800 0.030 0.000 2.430 52 G HA2 0.534 4.494 3.960 -0.000 0.000 0.300 52 G HA3 0.534 4.494 3.960 -0.000 0.000 0.300 52 G C -2.120 172.760 174.900 -0.034 0.000 1.330 52 G CA -0.261 44.851 45.100 0.020 0.000 0.813 52 G HN 0.805 nan 8.290 nan 0.000 0.487 53 V N -0.424 119.448 119.914 -0.070 0.000 2.680 53 V HA 0.797 4.917 4.120 -0.000 0.000 0.309 53 V C -0.866 175.074 176.094 -0.256 0.000 1.052 53 V CA -0.614 61.562 62.300 -0.206 0.000 0.908 53 V CB 1.730 33.380 31.823 -0.288 0.000 1.001 53 V HN 0.833 nan 8.190 nan 0.000 0.431 54 V N 7.029 126.740 119.914 -0.338 0.000 2.531 54 V HA 0.551 4.671 4.120 -0.000 0.000 0.301 54 V C -0.712 175.208 176.094 -0.290 0.000 1.034 54 V CA -0.532 61.653 62.300 -0.191 0.000 0.865 54 V CB 1.576 33.368 31.823 -0.052 0.000 0.995 54 V HN 0.750 nan 8.190 nan 0.000 0.424 55 F N 1.488 121.552 119.950 0.191 0.000 2.422 55 F HA 0.590 5.117 4.527 -0.000 0.000 0.333 55 F C 1.339 177.266 175.800 0.212 0.000 1.095 55 F CA -0.517 57.598 58.000 0.192 0.000 1.038 55 F CB 1.563 40.721 39.000 0.262 0.000 1.156 55 F HN 0.579 nan 8.300 nan 0.000 0.483 56 G N 1.202 110.211 108.800 0.349 0.000 3.471 56 G HA2 0.309 4.269 3.960 -0.000 0.000 0.254 56 G HA3 0.309 4.269 3.960 -0.000 0.000 0.254 56 G C -0.482 174.561 174.900 0.238 0.000 1.199 56 G CA -0.023 45.233 45.100 0.260 0.000 1.683 56 G HN 0.429 nan 8.290 nan 0.000 0.625 57 S N -1.446 114.411 115.700 0.262 0.000 2.614 57 S HA 0.731 5.201 4.470 -0.000 0.000 0.275 57 S C 0.280 174.972 174.600 0.155 0.000 1.161 57 S CA -0.255 58.027 58.200 0.136 0.000 0.969 57 S CB 2.005 65.194 63.200 -0.018 0.000 1.059 57 S HN 0.581 nan 8.310 nan 0.000 0.482 58 G N 0.962 109.801 108.800 0.065 0.000 3.247 58 G HA2 0.674 4.634 3.960 -0.000 0.000 0.226 58 G HA3 0.674 4.634 3.960 -0.000 0.000 0.226 58 G C 0.869 175.744 174.900 -0.041 0.000 1.220 58 G CA -0.004 45.098 45.100 0.002 0.000 0.875 58 G HN 0.762 nan 8.290 nan 0.000 0.606 59 A N -0.617 122.134 122.820 -0.116 0.000 2.024 59 A HA 0.233 4.553 4.320 -0.000 0.000 0.220 59 A C 2.425 179.940 177.584 -0.115 0.000 1.164 59 A CA 2.511 54.464 52.037 -0.140 0.000 0.643 59 A CB -0.739 18.153 19.000 -0.179 0.000 0.806 59 A HN 1.451 nan 8.150 nan 0.000 0.451 60 A N -0.572 122.183 122.820 -0.110 0.000 2.239 60 A HA 0.005 4.325 4.320 -0.000 0.000 0.209 60 A C 1.336 178.892 177.584 -0.046 0.000 1.171 60 A CA 0.799 52.778 52.037 -0.097 0.000 0.768 60 A CB -0.350 18.576 19.000 -0.123 0.000 0.790 60 A HN 0.573 nan 8.150 nan 0.000 0.478 61 N N 0.046 118.727 118.700 -0.033 0.000 2.204 61 N HA 0.079 4.819 4.740 -0.000 0.000 0.219 61 N C -0.327 175.214 175.510 0.052 0.000 1.151 61 N CA 0.097 53.135 53.050 -0.020 0.000 0.867 61 N CB 0.699 39.096 38.487 -0.150 0.000 1.043 61 N HN 0.632 nan 8.380 nan 0.000 0.516 62 E N 0.581 120.803 120.200 0.035 0.000 2.254 62 E HA 0.323 4.673 4.350 -0.000 0.000 0.258 62 E C -0.668 175.951 176.600 0.031 0.000 1.033 62 E CA -0.641 55.788 56.400 0.049 0.000 0.893 62 E CB 0.973 30.629 29.700 -0.074 0.000 1.204 62 E HN 0.035 nan 8.360 nan 0.000 0.425 63 N N 0.105 118.829 118.700 0.039 0.000 2.459 63 N HA 0.215 4.955 4.740 -0.000 0.000 0.288 63 N C -2.241 173.242 175.510 -0.044 0.000 1.186 63 N CA -1.469 51.605 53.050 0.040 0.000 0.917 63 N CB 0.930 39.488 38.487 0.117 0.000 1.219 63 N HN 0.135 nan 8.380 nan 0.000 0.525 64 P HA -0.042 nan 4.420 nan 0.000 0.230 64 P C -0.184 176.755 177.300 -0.602 0.000 1.158 64 P CA 1.196 64.066 63.100 -0.383 0.000 0.769 64 P CB 0.065 31.451 31.700 -0.522 0.000 0.807 65 Y N -1.286 119.008 120.300 -0.009 0.000 2.462 65 Y HA 0.148 4.698 4.550 -0.001 0.000 0.253 65 Y C 1.595 177.487 175.900 -0.014 0.000 1.095 65 Y CA 0.158 58.253 58.100 -0.009 0.000 1.283 65 Y CB -0.509 37.950 38.460 -0.001 0.000 1.138 65 Y HN 0.071 nan 8.280 nan 0.000 0.522 66 N N -0.882 117.866 118.700 0.079 0.000 2.204 66 N HA 0.012 4.752 4.740 -0.000 0.000 0.219 66 N C -0.203 175.272 175.510 -0.059 0.000 1.151 66 N CA -0.287 52.781 53.050 0.029 0.000 0.867 66 N CB -0.026 38.497 38.487 0.060 0.000 1.043 66 N HN -0.068 nan 8.380 nan 0.000 0.516 67 N N 0.747 119.398 118.700 -0.082 0.000 2.411 67 N HA 0.173 4.913 4.740 -0.000 0.000 0.265 67 N C 1.098 176.527 175.510 -0.136 0.000 1.266 67 N CA 1.873 54.846 53.050 -0.128 0.000 0.889 67 N CB 0.284 38.685 38.487 -0.143 0.000 1.069 67 N HN 0.493 nan 8.380 nan 0.000 0.476 68 G N 1.505 110.203 108.800 -0.170 0.000 2.211 68 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.201 68 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.201 68 G C 0.824 175.618 174.900 -0.176 0.000 0.997 68 G CA 0.106 45.110 45.100 -0.161 0.000 0.652 68 G HN 0.626 nan 8.290 nan 0.000 0.500 69 V N 1.119 120.894 119.914 -0.232 0.000 2.490 69 V HA -0.103 4.017 4.120 -0.000 0.000 0.250 69 V C 2.620 178.556 176.094 -0.264 0.000 1.061 69 V CA 3.413 65.552 62.300 -0.268 0.000 1.064 69 V CB -0.239 31.388 31.823 -0.327 0.000 0.670 69 V HN 0.441 nan 8.190 nan 0.000 0.461 70 S N 0.404 115.889 115.700 -0.358 0.000 2.357 70 S HA -0.163 4.307 4.470 -0.000 0.000 0.221 70 S C 1.845 176.487 174.600 0.071 0.000 1.031 70 S CA 1.574 59.707 58.200 -0.112 0.000 0.982 70 S CB -0.564 62.537 63.200 -0.164 0.000 0.853 70 S HN 0.747 nan 8.310 nan 0.000 0.458 71 N N 1.348 120.021 118.700 -0.045 0.000 2.205 71 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 71 N C 1.516 177.039 175.510 0.022 0.000 1.015 71 N CA 0.705 53.737 53.050 -0.029 0.000 0.862 71 N CB -0.432 37.993 38.487 -0.104 0.000 0.986 71 N HN 0.174 nan 8.380 nan 0.000 0.429 72 L N -0.782 120.431 121.223 -0.016 0.000 2.056 72 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 72 L C 1.795 178.690 176.870 0.042 0.000 1.078 72 L CA 1.397 56.206 54.840 -0.052 0.000 0.749 72 L CB -0.976 40.998 42.059 -0.142 0.000 0.901 72 L HN 0.297 nan 8.230 nan 0.000 0.433 73 W N 0.271 121.684 121.300 0.188 0.000 2.355 73 W HA -0.239 4.421 4.660 -0.000 0.000 0.309 73 W C 2.740 179.541 176.519 0.470 0.000 1.206 73 W CA 1.749 59.311 57.345 0.362 0.000 1.284 73 W CB -0.169 29.592 29.460 0.502 0.000 1.145 73 W HN 0.085 nan 8.180 nan 0.000 0.502 74 K N 0.478 121.256 120.400 0.631 0.000 2.074 74 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 74 K C 1.585 178.436 176.600 0.419 0.000 1.048 74 K CA 1.858 58.433 56.287 0.479 0.000 0.926 74 K CB -0.618 31.996 32.500 0.190 0.000 0.713 74 K HN 0.211 nan 8.250 nan 0.000 0.444 75 N N 1.026 119.888 118.700 0.270 0.000 2.331 75 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 75 N C 1.978 177.609 175.510 0.202 0.000 1.019 75 N CA 1.448 54.607 53.050 0.181 0.000 0.881 75 N CB -0.053 38.472 38.487 0.064 0.000 0.972 75 N HN 0.470 nan 8.380 nan 0.000 0.435 76 I N -2.248 118.477 120.570 0.257 0.000 2.716 76 I HA -0.040 4.130 4.170 -0.000 0.000 0.259 76 I C 2.113 178.440 176.117 0.350 0.000 1.172 76 I CA 0.638 62.082 61.300 0.240 0.000 1.478 76 I CB -0.510 37.598 38.000 0.181 0.000 1.104 76 I HN -0.163 nan 8.210 nan 0.000 0.439 77 F N 2.518 122.676 119.950 0.347 0.000 2.186 77 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 77 F C 1.742 177.688 175.800 0.243 0.000 1.090 77 F CA 1.460 59.656 58.000 0.327 0.000 1.307 77 F CB 0.014 39.291 39.000 0.463 0.000 1.019 77 F HN -0.058 nan 8.300 nan 0.000 0.489 78 L N -0.002 121.383 121.223 0.269 0.000 2.629 78 L HA 0.126 4.466 4.340 -0.000 0.000 0.230 78 L C 1.126 178.032 176.870 0.059 0.000 1.151 78 L CA -0.260 54.642 54.840 0.104 0.000 0.924 78 L CB -0.757 41.407 42.059 0.176 0.000 1.137 78 L HN 0.036 nan 8.230 nan 0.000 0.457 79 S N 0.272 116.017 115.700 0.076 0.000 2.559 79 S HA -0.084 4.386 4.470 -0.000 0.000 0.282 79 S C 1.568 176.185 174.600 0.027 0.000 1.336 79 S CA -0.115 58.119 58.200 0.057 0.000 1.037 79 S CB 0.766 64.013 63.200 0.078 0.000 0.853 79 S HN 0.229 nan 8.310 nan 0.000 0.523 80 K N 2.645 123.058 120.400 0.022 0.000 2.032 80 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 80 K C 1.817 178.425 176.600 0.014 0.000 1.048 80 K CA 2.317 58.611 56.287 0.012 0.000 0.927 80 K CB -0.522 31.984 32.500 0.010 0.000 0.712 80 K HN 0.810 nan 8.250 nan 0.000 0.441 81 E N 0.225 120.442 120.200 0.027 0.000 2.017 81 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 81 E C 2.009 178.639 176.600 0.049 0.000 0.997 81 E CA 1.313 57.735 56.400 0.036 0.000 0.804 81 E CB -0.279 29.448 29.700 0.044 0.000 0.757 81 E HN 0.254 nan 8.360 nan 0.000 0.448 82 N N 0.374 119.109 118.700 0.059 0.000 2.205 82 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 82 N C 1.677 177.242 175.510 0.092 0.000 1.015 82 N CA 1.165 54.279 53.050 0.105 0.000 0.862 82 N CB -0.062 38.454 38.487 0.048 0.000 0.986 82 N HN -0.056 nan 8.380 nan 0.000 0.429 83 S N -0.595 115.100 115.700 -0.008 0.000 2.428 83 S HA 0.076 4.546 4.470 -0.000 0.000 0.230 83 S C 1.883 176.434 174.600 -0.081 0.000 1.014 83 S CA 0.781 58.934 58.200 -0.078 0.000 0.957 83 S CB -0.212 62.953 63.200 -0.059 0.000 0.784 83 S HN 0.552 nan 8.310 nan 0.000 0.499 84 A N 1.079 123.881 122.820 -0.031 0.000 1.897 84 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 84 A C 2.223 179.788 177.584 -0.030 0.000 1.181 84 A CA 1.155 53.175 52.037 -0.028 0.000 0.620 84 A CB -0.788 18.210 19.000 -0.003 0.000 0.821 84 A HN 0.334 nan 8.150 nan 0.000 0.443 85 V N -0.184 119.740 119.914 0.017 0.000 2.568 85 V HA -0.228 3.892 4.120 -0.000 0.000 0.253 85 V C 2.824 178.883 176.094 -0.058 0.000 1.072 85 V CA 1.896 64.237 62.300 0.068 0.000 1.084 85 V CB -1.026 30.938 31.823 0.235 0.000 0.676 85 V HN 0.611 nan 8.190 nan 0.000 0.469 86 A N -0.417 122.226 122.820 -0.295 0.000 1.943 86 A HA 0.262 4.581 4.320 -0.000 0.000 0.213 86 A C 2.373 179.765 177.584 -0.319 0.000 1.181 86 A CA 1.192 52.851 52.037 -0.631 0.000 0.653 86 A CB -0.475 17.902 19.000 -1.037 0.000 0.833 86 A HN 0.489 nan 8.150 nan 0.000 0.451 87 A N 0.510 123.210 122.820 -0.202 0.000 1.933 87 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 87 A C 2.034 179.563 177.584 -0.091 0.000 1.175 87 A CA 1.863 53.824 52.037 -0.126 0.000 0.628 87 A CB -0.417 18.531 19.000 -0.086 0.000 0.814 87 A HN 0.505 nan 8.150 nan 0.000 0.444 88 K N -0.721 119.633 120.400 -0.076 0.000 2.209 88 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 88 K C 1.626 178.196 176.600 -0.049 0.000 1.048 88 K CA 1.383 57.642 56.287 -0.046 0.000 0.940 88 K CB -0.017 32.468 32.500 -0.025 0.000 0.729 88 K HN 0.340 nan 8.250 nan 0.000 0.451 89 E N -0.441 119.712 120.200 -0.078 0.000 2.489 89 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 89 E C 0.343 176.898 176.600 -0.075 0.000 1.057 89 E CA 0.342 56.700 56.400 -0.070 0.000 0.866 89 E CB 0.505 30.152 29.700 -0.088 0.000 0.916 89 E HN 0.368 nan 8.360 nan 0.000 0.500 90 G N 0.592 109.342 108.800 -0.084 0.000 2.225 90 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.264 90 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.264 90 G C -0.551 174.297 174.900 -0.087 0.000 1.060 90 G CA 0.208 45.267 45.100 -0.069 0.000 0.833 90 G HN 0.089 nan 8.290 nan 0.000 0.498 91 L N -0.002 121.135 121.223 -0.143 0.000 2.362 91 L HA 0.909 5.249 4.340 -0.000 0.000 0.271 91 L C 0.359 177.121 176.870 -0.180 0.000 1.002 91 L CA -0.710 54.026 54.840 -0.172 0.000 0.818 91 L CB 1.958 43.846 42.059 -0.284 0.000 1.298 91 L HN 0.663 nan 8.230 nan 0.000 0.420 92 A N 3.942 126.692 122.820 -0.117 0.000 2.331 92 A HA 0.839 5.159 4.320 -0.000 0.000 0.320 92 A C -0.859 176.694 177.584 -0.051 0.000 1.138 92 A CA -0.504 51.482 52.037 -0.084 0.000 0.790 92 A CB 0.689 19.667 19.000 -0.038 0.000 1.206 92 A HN 0.633 nan 8.150 nan 0.000 0.470 93 L N 1.349 122.545 121.223 -0.045 0.000 2.343 93 L HA 0.686 5.026 4.340 -0.000 0.000 0.275 93 L C 0.252 177.213 176.870 0.151 0.000 1.056 93 L CA -0.356 54.521 54.840 0.061 0.000 0.804 93 L CB 1.788 43.807 42.059 -0.066 0.000 1.203 93 L HN 0.658 nan 8.230 nan 0.000 0.440 94 S N 0.627 116.495 115.700 0.280 0.000 2.546 94 S HA 0.513 4.983 4.470 -0.000 0.000 0.272 94 S C -1.151 173.564 174.600 0.192 0.000 1.140 94 S CA -0.518 57.799 58.200 0.195 0.000 0.920 94 S CB 2.068 65.332 63.200 0.107 0.000 1.083 94 S HN 0.572 nan 8.310 nan 0.000 0.476 95 S N 2.664 118.423 115.700 0.098 0.000 2.619 95 S HA 0.528 4.998 4.470 -0.000 0.000 0.280 95 S C -1.551 172.984 174.600 -0.108 0.000 1.150 95 S CA -0.751 57.391 58.200 -0.097 0.000 0.978 95 S CB 0.726 63.895 63.200 -0.050 0.000 1.041 95 S HN 0.774 nan 8.310 nan 0.000 0.485 96 N N 5.380 123.976 118.700 -0.173 0.000 2.354 96 N HA 0.399 5.139 4.740 -0.000 0.000 0.287 96 N C -1.214 174.157 175.510 -0.231 0.000 1.016 96 N CA -0.602 52.369 53.050 -0.132 0.000 0.871 96 N CB 0.721 39.193 38.487 -0.025 0.000 1.299 96 N HN 0.464 nan 8.380 nan 0.000 0.482 97 I N 2.310 122.744 120.570 -0.226 0.000 2.339 97 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 97 I C 0.433 176.337 176.117 -0.355 0.000 0.994 97 I CA -0.260 60.884 61.300 -0.259 0.000 1.191 97 I CB 0.868 38.772 38.000 -0.161 0.000 1.343 97 I HN 0.466 nan 8.210 nan 0.000 0.458 98 S N 5.426 120.803 115.700 -0.538 0.000 2.855 98 S HA 0.532 5.002 4.470 -0.000 0.000 0.308 98 S C 1.245 175.652 174.600 -0.322 0.000 1.077 98 S CA -0.628 57.267 58.200 -0.509 0.000 0.896 98 S CB 2.015 64.652 63.200 -0.938 0.000 1.339 98 S HN 0.530 nan 8.310 nan 0.000 0.602 99 R N 0.663 121.044 120.500 -0.197 0.000 2.080 99 R HA 0.084 4.424 4.340 -0.000 0.000 0.222 99 R C 0.570 176.827 176.300 -0.072 0.000 1.107 99 R CA 1.156 57.157 56.100 -0.166 0.000 0.980 99 R CB -0.136 29.992 30.300 -0.285 0.000 0.879 99 R HN 0.505 nan 8.270 nan 0.000 0.439 100 D N -0.420 120.015 120.400 0.058 0.000 2.324 100 D HA 0.037 4.677 4.640 -0.000 0.000 0.212 100 D C 0.508 176.948 176.300 0.233 0.000 0.984 100 D CA 0.578 54.677 54.000 0.165 0.000 0.885 100 D CB 0.381 41.351 40.800 0.282 0.000 0.996 100 D HN 0.068 nan 8.370 nan 0.000 0.505 101 F N -0.177 119.827 119.950 0.090 0.000 2.661 101 F HA 0.696 5.223 4.527 -0.000 0.000 0.347 101 F C -0.670 175.196 175.800 0.111 0.000 1.086 101 F CA -1.134 56.929 58.000 0.106 0.000 1.016 101 F CB 1.475 40.520 39.000 0.076 0.000 1.368 101 F HN -0.385 nan 8.300 nan 0.000 0.505 102 Q N 1.303 121.267 119.800 0.274 0.000 2.295 102 Q HA 0.532 4.872 4.340 -0.000 0.000 0.268 102 Q C -1.768 174.343 176.000 0.184 0.000 1.010 102 Q CA -0.666 55.218 55.803 0.134 0.000 0.856 102 Q CB 2.323 31.269 28.738 0.347 0.000 1.349 102 Q HN 1.061 nan 8.270 nan 0.000 0.412 103 S N 2.111 117.741 115.700 -0.117 0.000 2.570 103 S HA 0.760 5.230 4.470 -0.000 0.000 0.286 103 S C -1.556 172.626 174.600 -0.697 0.000 1.099 103 S CA -0.442 57.651 58.200 -0.178 0.000 0.913 103 S CB 1.148 64.361 63.200 0.021 0.000 1.085 103 S HN 0.532 nan 8.310 nan 0.000 0.480 104 Y N 0.828 121.034 120.300 -0.156 0.000 2.317 104 Y HA 0.578 5.128 4.550 -0.000 0.000 0.325 104 Y C -0.527 175.251 175.900 -0.202 0.000 1.066 104 Y CA -0.728 57.103 58.100 -0.448 0.000 1.203 104 Y CB 1.237 39.153 38.460 -0.907 0.000 1.127 104 Y HN 0.649 nan 8.280 nan 0.000 0.451 105 I N 3.361 123.978 120.570 0.079 0.000 2.646 105 I HA 0.669 4.839 4.170 -0.000 0.000 0.299 105 I C -0.896 175.356 176.117 0.225 0.000 1.036 105 I CA -1.335 60.042 61.300 0.128 0.000 1.074 105 I CB 2.211 40.254 38.000 0.071 0.000 1.258 105 I HN 0.178 nan 8.210 nan 0.000 0.430 106 V N 3.472 123.487 119.914 0.169 0.000 2.540 106 V HA 0.450 4.570 4.120 -0.000 0.000 0.302 106 V C -0.242 175.890 176.094 0.063 0.000 1.035 106 V CA -0.440 61.939 62.300 0.132 0.000 0.873 106 V CB 1.818 33.734 31.823 0.154 0.000 0.992 106 V HN 0.749 nan 8.190 nan 0.000 0.428 107 S N 2.765 118.481 115.700 0.026 0.000 2.501 107 S HA 0.890 5.360 4.470 -0.000 0.000 0.301 107 S C -0.169 174.425 174.600 -0.010 0.000 1.096 107 S CA -0.495 57.713 58.200 0.014 0.000 1.063 107 S CB 1.808 65.017 63.200 0.015 0.000 1.042 107 S HN 1.079 nan 8.310 nan 0.000 0.494 108 S N 1.866 117.566 115.700 0.001 0.000 2.727 108 S HA 0.715 5.184 4.470 -0.000 0.000 0.278 108 S C -1.261 173.343 174.600 0.006 0.000 1.186 108 S CA -0.900 57.296 58.200 -0.007 0.000 0.836 108 S CB 0.070 63.265 63.200 -0.009 0.000 1.186 108 S HN 0.302 nan 8.310 nan 0.000 0.499 109 L N 2.250 123.475 121.223 0.003 0.000 2.466 109 L HA 0.409 4.749 4.340 -0.000 0.000 0.257 109 L C -1.067 175.808 176.870 0.009 0.000 1.189 109 L CA -1.668 53.176 54.840 0.008 0.000 0.813 109 L CB -0.261 41.798 42.059 0.001 0.000 1.118 109 L HN 0.557 nan 8.230 nan 0.000 0.471 110 P HA -0.164 nan 4.420 nan 0.000 0.217 110 P C 1.077 178.381 177.300 0.005 0.000 1.148 110 P CA 1.786 64.890 63.100 0.007 0.000 0.828 110 P CB 0.214 31.910 31.700 -0.006 0.000 0.783 111 G N -0.570 108.230 108.800 -0.000 0.000 2.595 111 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.213 111 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.213 111 G C 1.382 176.285 174.900 0.004 0.000 1.141 111 G CA 0.133 45.233 45.100 0.001 0.000 0.806 111 G HN 0.217 nan 8.290 nan 0.000 0.530 112 S N 0.542 116.244 115.700 0.004 0.000 2.720 112 S HA -0.012 4.458 4.470 -0.000 0.000 0.222 112 S C 2.137 176.744 174.600 0.012 0.000 0.958 112 S CA 0.867 59.070 58.200 0.005 0.000 0.943 112 S CB -0.144 63.054 63.200 -0.003 0.000 0.779 112 S HN 0.474 nan 8.310 nan 0.000 0.526 113 T N 1.549 116.113 114.554 0.016 0.000 2.833 113 T HA -0.193 4.156 4.350 -0.000 0.000 0.269 113 T C 1.442 176.160 174.700 0.030 0.000 1.054 113 T CA 1.746 63.861 62.100 0.025 0.000 1.135 113 T CB -0.379 68.505 68.868 0.026 0.000 0.869 113 T HN 0.469 nan 8.240 nan 0.000 0.466 114 D N -0.244 120.171 120.400 0.025 0.000 2.178 114 D HA -0.057 4.583 4.640 -0.000 0.000 0.202 114 D C 2.141 178.464 176.300 0.038 0.000 0.974 114 D CA 0.885 54.901 54.000 0.028 0.000 0.841 114 D CB -0.068 40.744 40.800 0.020 0.000 0.953 114 D HN 0.215 nan 8.370 nan 0.000 0.478 115 K N -0.389 120.033 120.400 0.037 0.000 2.305 115 K HA 0.161 4.481 4.320 -0.000 0.000 0.199 115 K C 1.885 178.531 176.600 0.078 0.000 1.047 115 K CA 0.475 56.791 56.287 0.049 0.000 0.976 115 K CB -0.040 32.477 32.500 0.029 0.000 0.765 115 K HN -0.053 nan 8.250 nan 0.000 0.474 116 S N 0.445 116.185 115.700 0.067 0.000 2.387 116 S HA 0.000 4.470 4.470 -0.000 0.000 0.226 116 S C 1.635 176.316 174.600 0.135 0.000 1.026 116 S CA 0.706 58.962 58.200 0.094 0.000 0.972 116 S CB -0.147 63.091 63.200 0.063 0.000 0.814 116 S HN 0.262 nan 8.310 nan 0.000 0.477 117 L N 1.199 122.478 121.223 0.093 0.000 2.141 117 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 117 L C 1.688 178.607 176.870 0.083 0.000 1.094 117 L CA 1.100 55.988 54.840 0.079 0.000 0.763 117 L CB -0.304 41.787 42.059 0.054 0.000 0.908 117 L HN 0.199 nan 8.230 nan 0.000 0.437 118 D N -0.690 119.766 120.400 0.093 0.000 2.144 118 D HA -0.212 4.428 4.640 -0.000 0.000 0.200 118 D C 1.804 178.166 176.300 0.104 0.000 0.978 118 D CA 1.080 55.131 54.000 0.085 0.000 0.833 118 D CB -0.064 40.786 40.800 0.083 0.000 0.961 118 D HN 0.238 nan 8.370 nan 0.000 0.470 119 F N 0.867 120.821 119.950 0.007 0.000 2.206 119 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 119 F C 1.980 177.781 175.800 0.001 0.000 1.090 119 F CA 0.624 58.623 58.000 -0.003 0.000 1.323 119 F CB -0.003 38.987 39.000 -0.017 0.000 1.028 119 F HN -0.101 nan 8.300 nan 0.000 0.492 120 L N 0.698 121.975 121.223 0.090 0.000 2.027 120 L HA -0.242 4.098 4.340 -0.000 0.000 0.206 120 L C 2.193 179.033 176.870 -0.051 0.000 1.074 120 L CA 1.874 56.715 54.840 0.001 0.000 0.745 120 L CB -1.468 40.629 42.059 0.063 0.000 0.898 120 L HN 0.234 nan 8.230 nan 0.000 0.433 121 N N 0.098 118.797 118.700 -0.003 0.000 2.166 121 N HA -0.260 4.480 4.740 -0.000 0.000 0.186 121 N C 1.854 177.354 175.510 -0.016 0.000 1.019 121 N CA 1.703 54.761 53.050 0.013 0.000 0.856 121 N CB -0.136 38.364 38.487 0.022 0.000 0.993 121 N HN 0.466 nan 8.380 nan 0.000 0.426 122 Q N -0.348 119.403 119.800 -0.081 0.000 2.046 122 Q HA -0.024 4.316 4.340 -0.000 0.000 0.200 122 Q C 1.703 177.610 176.000 -0.155 0.000 0.975 122 Q CA 1.518 57.249 55.803 -0.120 0.000 0.836 122 Q CB -0.063 28.572 28.738 -0.171 0.000 0.896 122 Q HN 0.306 nan 8.270 nan 0.000 0.428 123 S N -0.254 115.265 115.700 -0.301 0.000 2.406 123 S HA -0.009 4.460 4.470 -0.000 0.000 0.228 123 S C 0.901 175.595 174.600 0.157 0.000 1.020 123 S CA 0.605 58.670 58.200 -0.224 0.000 0.965 123 S CB 0.028 62.937 63.200 -0.487 0.000 0.798 123 S HN 0.356 nan 8.310 nan 0.000 0.488 124 F N 0.241 120.144 119.950 -0.078 0.000 2.661 124 F HA 0.493 5.020 4.527 -0.000 0.000 0.306 124 F C 0.570 176.336 175.800 -0.055 0.000 1.094 124 F CA -0.705 57.241 58.000 -0.090 0.000 1.254 124 F CB 0.115 39.024 39.000 -0.151 0.000 1.040 124 F HN 0.063 nan 8.300 nan 0.000 0.562 125 I N -0.323 120.328 120.570 0.134 0.000 3.114 125 I HA 0.139 4.309 4.170 -0.000 0.000 0.326 125 I C 0.833 176.978 176.117 0.046 0.000 1.510 125 I CA 0.280 61.621 61.300 0.069 0.000 0.918 125 I CB 0.630 38.663 38.000 0.056 0.000 1.561 125 I HN 0.005 nan 8.210 nan 0.000 0.565 126 Q N 0.842 120.674 119.800 0.054 0.000 1.835 126 Q HA 0.057 4.397 4.340 -0.000 0.000 0.166 126 Q C 0.031 176.060 176.000 0.049 0.000 0.676 126 Q CA 0.265 56.090 55.803 0.037 0.000 0.752 126 Q CB 0.404 29.151 28.738 0.015 0.000 1.193 126 Q HN 0.528 nan 8.270 nan 0.000 0.372 127 Q N 1.561 121.403 119.800 0.069 0.000 2.620 127 Q HA 0.120 4.460 4.340 -0.000 0.000 0.333 127 Q C 0.473 176.566 176.000 0.155 0.000 1.017 127 Q CA -0.030 55.829 55.803 0.093 0.000 0.962 127 Q CB 0.582 29.365 28.738 0.076 0.000 1.297 127 Q HN -0.011 nan 8.270 nan 0.000 0.419 128 K N 0.457 120.932 120.400 0.125 0.000 2.432 128 K HA -0.005 4.315 4.320 -0.000 0.000 0.196 128 K C 1.028 177.706 176.600 0.129 0.000 1.038 128 K CA 0.873 57.246 56.287 0.143 0.000 0.986 128 K CB 0.323 32.875 32.500 0.086 0.000 0.782 128 K HN 0.299 nan 8.250 nan 0.000 0.485 129 A N -1.158 121.719 122.820 0.094 0.000 2.653 129 A HA 0.217 4.536 4.320 -0.000 0.000 0.248 129 A C 0.991 178.611 177.584 0.060 0.000 1.211 129 A CA -0.324 51.751 52.037 0.062 0.000 0.991 129 A CB -0.013 19.009 19.000 0.036 0.000 1.252 129 A HN 0.241 nan 8.150 nan 0.000 0.593 130 N N 0.473 119.218 118.700 0.075 0.000 2.109 130 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 130 N C 1.352 176.911 175.510 0.081 0.000 1.034 130 N CA 1.395 54.485 53.050 0.066 0.000 0.846 130 N CB -0.133 38.389 38.487 0.059 0.000 1.010 130 N HN 0.379 nan 8.380 nan 0.000 0.425 131 L N 1.069 122.363 121.223 0.119 0.000 2.313 131 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 131 L C 1.397 178.340 176.870 0.123 0.000 1.119 131 L CA 0.458 55.383 54.840 0.141 0.000 0.809 131 L CB -0.113 42.081 42.059 0.225 0.000 0.933 131 L HN 0.148 nan 8.230 nan 0.000 0.449 132 L N 0.199 121.476 121.223 0.089 0.000 2.737 132 L HA 0.116 4.456 4.340 -0.000 0.000 0.236 132 L C 1.029 177.900 176.870 0.002 0.000 1.219 132 L CA -0.452 54.397 54.840 0.016 0.000 1.021 132 L CB -0.546 41.486 42.059 -0.046 0.000 1.291 132 L HN 0.211 nan 8.230 nan 0.000 0.470 133 S N -2.083 113.648 115.700 0.052 0.000 2.585 133 S HA 0.106 4.576 4.470 -0.000 0.000 0.273 133 S C 1.348 175.992 174.600 0.075 0.000 1.339 133 S CA -0.527 57.700 58.200 0.044 0.000 1.028 133 S CB 1.675 64.904 63.200 0.049 0.000 0.906 133 S HN 0.184 nan 8.310 nan 0.000 0.528 134 S N 2.146 117.878 115.700 0.053 0.000 2.400 134 S HA -0.110 4.359 4.470 -0.000 0.000 0.232 134 S C 2.044 176.707 174.600 0.105 0.000 1.025 134 S CA 1.557 59.808 58.200 0.085 0.000 0.993 134 S CB -0.533 62.695 63.200 0.048 0.000 0.808 134 S HN 0.767 nan 8.310 nan 0.000 0.478 135 S N 1.527 117.271 115.700 0.074 0.000 2.362 135 S HA -0.017 4.453 4.470 -0.000 0.000 0.221 135 S C 1.813 176.449 174.600 0.060 0.000 1.032 135 S CA 0.839 59.073 58.200 0.056 0.000 0.973 135 S CB -0.422 62.801 63.200 0.039 0.000 0.849 135 S HN 0.519 nan 8.310 nan 0.000 0.465 136 N N 1.015 119.762 118.700 0.078 0.000 2.142 136 N HA -0.027 4.713 4.740 -0.000 0.000 0.186 136 N C 1.429 176.992 175.510 0.088 0.000 1.023 136 N CA 1.039 54.134 53.050 0.075 0.000 0.852 136 N CB -0.421 38.118 38.487 0.086 0.000 0.998 136 N HN 0.320 nan 8.380 nan 0.000 0.424 137 F N 1.888 121.822 119.950 -0.026 0.000 2.031 137 F HA -0.056 4.471 4.527 -0.000 0.000 0.295 137 F C 2.160 177.933 175.800 -0.045 0.000 1.133 137 F CA 1.478 59.447 58.000 -0.051 0.000 1.188 137 F CB -0.420 38.541 39.000 -0.066 0.000 0.974 137 F HN 0.012 nan 8.300 nan 0.000 0.473 138 E N 0.545 120.744 120.200 -0.002 0.000 2.209 138 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 138 E C 2.235 178.745 176.600 -0.150 0.000 0.993 138 E CA 1.109 57.441 56.400 -0.113 0.000 0.819 138 E CB -0.716 29.003 29.700 0.033 0.000 0.745 138 E HN 0.541 nan 8.360 nan 0.000 0.477 139 A N 0.468 123.228 122.820 -0.099 0.000 1.903 139 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 139 A C 2.425 179.940 177.584 -0.116 0.000 1.185 139 A CA 1.471 53.460 52.037 -0.080 0.000 0.628 139 A CB -0.535 18.444 19.000 -0.034 0.000 0.830 139 A HN 0.183 nan 8.150 nan 0.000 0.446 140 T N -0.136 114.328 114.554 -0.149 0.000 2.737 140 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 140 T C 2.047 176.606 174.700 -0.235 0.000 1.038 140 T CA 1.496 63.503 62.100 -0.155 0.000 1.144 140 T CB -0.192 68.595 68.868 -0.134 0.000 0.866 140 T HN 0.473 nan 8.240 nan 0.000 0.434 141 K N 1.312 121.460 120.400 -0.420 0.000 2.044 141 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 141 K C 2.355 178.810 176.600 -0.242 0.000 1.049 141 K CA 1.614 57.639 56.287 -0.437 0.000 0.927 141 K CB -0.241 31.854 32.500 -0.674 0.000 0.713 141 K HN 0.232 nan 8.250 nan 0.000 0.443 142 K N 0.129 120.411 120.400 -0.196 0.000 2.147 142 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 142 K C 2.054 178.598 176.600 -0.092 0.000 1.049 142 K CA 1.527 57.743 56.287 -0.119 0.000 0.936 142 K CB 0.030 32.475 32.500 -0.092 0.000 0.722 142 K HN 0.060 nan 8.250 nan 0.000 0.446 143 S N 0.360 116.002 115.700 -0.095 0.000 2.345 143 S HA -0.114 4.356 4.470 -0.000 0.000 0.219 143 S C 1.920 176.480 174.600 -0.067 0.000 1.031 143 S CA 1.274 59.434 58.200 -0.067 0.000 0.984 143 S CB -0.147 63.019 63.200 -0.056 0.000 0.874 143 S HN 0.410 nan 8.310 nan 0.000 0.451 144 V N 0.189 120.051 119.914 -0.086 0.000 2.759 144 V HA -0.025 4.095 4.120 -0.000 0.000 0.256 144 V C 1.969 178.015 176.094 -0.080 0.000 1.080 144 V CA 1.186 63.436 62.300 -0.084 0.000 1.101 144 V CB -0.726 31.037 31.823 -0.100 0.000 0.698 144 V HN 0.279 nan 8.190 nan 0.000 0.477 145 L N 0.574 121.746 121.223 -0.084 0.000 2.044 145 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 145 L C 2.606 179.450 176.870 -0.043 0.000 1.075 145 L CA 2.387 57.187 54.840 -0.067 0.000 0.747 145 L CB -0.925 41.090 42.059 -0.073 0.000 0.903 145 L HN 0.431 nan 8.230 nan 0.000 0.435 146 K N -1.250 119.126 120.400 -0.041 0.000 2.103 146 K HA -0.200 4.119 4.320 -0.000 0.000 0.204 146 K C 2.154 178.745 176.600 -0.016 0.000 1.052 146 K CA 1.170 57.442 56.287 -0.025 0.000 0.945 146 K CB -0.022 32.462 32.500 -0.026 0.000 0.722 146 K HN 0.371 nan 8.250 nan 0.000 0.443 147 Q N 0.243 120.029 119.800 -0.024 0.000 2.030 147 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 147 Q C 1.859 177.861 176.000 0.003 0.000 0.986 147 Q CA 2.044 57.837 55.803 -0.017 0.000 0.843 147 Q CB 0.056 28.771 28.738 -0.039 0.000 0.904 147 Q HN 0.184 nan 8.270 nan 0.000 0.420 148 V N 0.753 120.656 119.914 -0.018 0.000 2.548 148 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 148 V C 2.314 178.451 176.094 0.071 0.000 1.055 148 V CA 1.980 64.283 62.300 0.004 0.000 1.065 148 V CB -0.581 31.211 31.823 -0.051 0.000 0.681 148 V HN 0.479 nan 8.190 nan 0.000 0.462 149 Q N -0.247 119.570 119.800 0.030 0.000 2.170 149 Q HA -0.240 4.100 4.340 -0.000 0.000 0.203 149 Q C 1.820 177.835 176.000 0.024 0.000 0.976 149 Q CA 1.846 57.664 55.803 0.025 0.000 0.858 149 Q CB -0.011 28.729 28.738 0.002 0.000 0.907 149 Q HN 0.617 nan 8.270 nan 0.000 0.433 150 D N -0.190 120.228 120.400 0.029 0.000 2.103 150 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 150 D C 1.497 177.797 176.300 0.001 0.000 0.978 150 D CA 0.788 54.791 54.000 0.005 0.000 0.829 150 D CB -0.428 40.377 40.800 0.008 0.000 0.981 150 D HN 0.261 nan 8.370 nan 0.000 0.464 151 F N 1.869 121.760 119.950 -0.098 0.000 2.095 151 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 151 F C 2.205 177.922 175.800 -0.139 0.000 1.104 151 F CA 1.491 59.420 58.000 -0.118 0.000 1.232 151 F CB 0.021 38.966 39.000 -0.091 0.000 0.987 151 F HN -0.195 nan 8.300 nan 0.000 0.475 152 E N 0.204 120.431 120.200 0.046 0.000 2.268 152 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 152 E C 1.782 178.290 176.600 -0.152 0.000 0.995 152 E CA 1.254 57.626 56.400 -0.047 0.000 0.836 152 E CB -0.439 29.319 29.700 0.097 0.000 0.763 152 E HN 0.470 nan 8.360 nan 0.000 0.491 153 D N -0.964 119.347 120.400 -0.149 0.000 2.216 153 D HA 0.030 4.670 4.640 -0.000 0.000 0.208 153 D C 0.922 177.053 176.300 -0.281 0.000 0.960 153 D CA 0.617 54.533 54.000 -0.141 0.000 0.861 153 D CB 0.331 41.086 40.800 -0.075 0.000 0.985 153 D HN 0.165 nan 8.370 nan 0.000 0.493 154 N N -0.136 118.305 118.700 -0.432 0.000 2.266 154 N HA -0.055 4.685 4.740 -0.000 0.000 0.217 154 N C -0.167 174.788 175.510 -0.925 0.000 1.211 154 N CA -0.090 52.586 53.050 -0.623 0.000 0.881 154 N CB 0.894 39.212 38.487 -0.282 0.000 1.153 154 N HN -0.026 nan 8.380 nan 0.000 0.489 155 D N 1.168 121.085 120.400 -0.806 0.000 2.558 155 D HA 0.076 4.716 4.640 -0.000 0.000 0.221 155 D C 0.846 176.620 176.300 -0.875 0.000 1.143 155 D CA -0.167 53.378 54.000 -0.757 0.000 1.010 155 D CB -0.035 40.350 40.800 -0.691 0.000 1.068 155 D HN 0.250 nan 8.370 nan 0.000 0.511 156 H N 1.472 120.123 119.070 -0.699 0.000 2.290 156 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 156 H C -0.708 174.217 175.328 -0.672 0.000 1.087 156 H CA 1.646 57.157 56.048 -0.895 0.000 1.291 156 H CB -0.732 28.001 29.762 -1.716 0.000 1.369 156 H HN 0.395 nan 8.280 nan 0.000 0.492 157 P HA -0.134 nan 4.420 nan 0.000 0.217 157 P C 0.712 177.990 177.300 -0.037 0.000 1.150 157 P CA 1.448 64.495 63.100 -0.089 0.000 0.832 157 P CB 0.221 31.968 31.700 0.079 0.000 0.787 158 N N -0.285 118.354 118.700 -0.102 0.000 2.300 158 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 158 N C 2.045 177.584 175.510 0.048 0.000 1.016 158 N CA 0.589 53.661 53.050 0.036 0.000 0.876 158 N CB -0.527 38.075 38.487 0.191 0.000 0.979 158 N HN 0.215 nan 8.380 nan 0.000 0.432 159 R N 1.252 121.574 120.500 -0.296 0.000 2.096 159 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 159 R C 1.715 178.124 176.300 0.181 0.000 1.127 159 R CA 1.049 57.054 56.100 -0.158 0.000 0.968 159 R CB -0.188 29.861 30.300 -0.418 0.000 0.861 159 R HN -0.077 nan 8.270 nan 0.000 0.440 160 V N 1.386 121.344 119.914 0.074 0.000 2.307 160 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 160 V C 2.311 178.526 176.094 0.202 0.000 1.045 160 V CA 1.461 63.847 62.300 0.143 0.000 1.024 160 V CB -0.475 31.413 31.823 0.107 0.000 0.651 160 V HN 0.325 nan 8.190 nan 0.000 0.449 161 L N 0.203 121.530 121.223 0.173 0.000 2.127 161 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 161 L C 2.311 179.355 176.870 0.291 0.000 1.089 161 L CA 2.077 57.034 54.840 0.195 0.000 0.757 161 L CB -0.570 41.577 42.059 0.146 0.000 0.899 161 L HN 0.359 nan 8.230 nan 0.000 0.434 162 E N -1.301 119.048 120.200 0.247 0.000 2.072 162 E HA -0.211 4.139 4.350 -0.000 0.000 0.190 162 E C 2.071 178.733 176.600 0.102 0.000 0.982 162 E CA 1.346 57.848 56.400 0.171 0.000 0.803 162 E CB -0.115 29.666 29.700 0.134 0.000 0.755 162 E HN 0.647 nan 8.360 nan 0.000 0.453 163 H N -0.389 118.762 119.070 0.136 0.000 2.491 163 H HA 0.022 4.577 4.556 -0.000 0.000 0.290 163 H C 1.871 177.257 175.328 0.097 0.000 1.050 163 H CA 1.080 57.187 56.048 0.098 0.000 1.309 163 H CB 0.064 29.867 29.762 0.067 0.000 1.392 163 H HN 0.139 nan 8.280 nan 0.000 0.554 164 L N -0.009 121.342 121.223 0.214 0.000 2.017 164 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 164 L C 1.669 178.566 176.870 0.045 0.000 1.073 164 L CA 1.833 56.746 54.840 0.121 0.000 0.745 164 L CB -0.246 41.879 42.059 0.110 0.000 0.894 164 L HN 0.408 nan 8.230 nan 0.000 0.432 165 H N -1.522 117.601 119.070 0.089 0.000 2.387 165 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 165 H C 2.562 177.947 175.328 0.095 0.000 1.090 165 H CA 1.677 57.808 56.048 0.139 0.000 1.332 165 H CB -0.031 29.821 29.762 0.150 0.000 1.386 165 H HN 0.291 nan 8.280 nan 0.000 0.516 166 S N -0.997 114.796 115.700 0.154 0.000 2.382 166 S HA -0.190 4.280 4.470 -0.000 0.000 0.228 166 S C 2.307 176.924 174.600 0.028 0.000 1.027 166 S CA 1.782 60.018 58.200 0.061 0.000 0.991 166 S CB -0.378 62.805 63.200 -0.028 0.000 0.823 166 S HN 0.523 nan 8.310 nan 0.000 0.469 167 T N 0.225 114.781 114.554 0.003 0.000 3.009 167 T HA 0.322 4.672 4.350 -0.000 0.000 0.258 167 T C 1.808 176.388 174.700 -0.201 0.000 1.063 167 T CA 1.092 63.157 62.100 -0.058 0.000 1.139 167 T CB -0.479 68.376 68.868 -0.022 0.000 0.890 167 T HN 0.423 nan 8.240 nan 0.000 0.471 168 A N 0.273 122.901 122.820 -0.320 0.000 1.898 168 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 168 A C 1.305 178.440 177.584 -0.749 0.000 1.181 168 A CA 1.040 52.624 52.037 -0.755 0.000 0.620 168 A CB -0.598 17.887 19.000 -0.858 0.000 0.819 168 A HN 0.618 nan 8.150 nan 0.000 0.442 169 F N 0.874 120.778 119.950 -0.076 0.000 2.772 169 F HA 0.174 4.701 4.527 -0.000 0.000 0.302 169 F C 0.732 176.515 175.800 -0.028 0.000 1.136 169 F CA -0.717 57.271 58.000 -0.020 0.000 1.322 169 F CB 0.037 39.062 39.000 0.042 0.000 0.967 169 F HN 0.328 nan 8.300 nan 0.000 0.513 170 Q N 0.578 120.410 119.800 0.054 0.000 2.326 170 Q HA -0.097 4.243 4.340 -0.000 0.000 0.314 170 Q C 0.262 176.289 176.000 0.044 0.000 1.091 170 Q CA 0.244 56.066 55.803 0.031 0.000 0.974 170 Q CB 0.138 28.867 28.738 -0.016 0.000 1.220 170 Q HN 0.413 nan 8.270 nan 0.000 0.398 171 N N 0.018 118.736 118.700 0.031 0.000 2.725 171 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 171 N C -1.073 174.465 175.510 0.046 0.000 1.103 171 N CA 1.548 54.616 53.050 0.030 0.000 0.707 171 N CB -1.355 37.149 38.487 0.028 0.000 1.043 171 N HN 0.749 nan 8.380 nan 0.000 0.553 172 T N -1.022 113.567 114.554 0.058 0.000 2.916 172 T HA 0.352 4.702 4.350 -0.000 0.000 0.305 172 T C -1.785 172.931 174.700 0.026 0.000 1.119 172 T CA -1.222 60.914 62.100 0.060 0.000 1.008 172 T CB 2.543 71.481 68.868 0.117 0.000 1.129 172 T HN -0.339 nan 8.240 nan 0.000 0.480 173 P HA -0.147 nan 4.420 nan 0.000 0.219 173 P C 1.375 178.616 177.300 -0.100 0.000 1.161 173 P CA 0.897 63.968 63.100 -0.049 0.000 0.909 173 P CB 0.135 31.802 31.700 -0.054 0.000 0.793 174 L N -0.709 120.411 121.223 -0.172 0.000 2.549 174 L HA -0.068 4.272 4.340 -0.000 0.000 0.229 174 L C 2.123 178.976 176.870 -0.027 0.000 1.158 174 L CA 1.727 56.403 54.840 -0.274 0.000 0.842 174 L CB -1.692 39.894 42.059 -0.789 0.000 0.952 174 L HN 0.068 nan 8.230 nan 0.000 0.452 175 S N -2.042 113.697 115.700 0.066 0.000 2.461 175 S HA 0.020 4.489 4.470 -0.000 0.000 0.228 175 S C 0.889 175.485 174.600 -0.007 0.000 1.005 175 S CA -0.228 58.034 58.200 0.103 0.000 0.942 175 S CB -0.245 63.011 63.200 0.093 0.000 0.776 175 S HN 0.082 nan 8.310 nan 0.000 0.514 176 L N 4.146 125.330 121.223 -0.065 0.000 2.455 176 L HA 0.375 4.715 4.340 -0.000 0.000 0.272 176 L C -2.148 174.635 176.870 -0.144 0.000 1.174 176 L CA -2.214 52.561 54.840 -0.109 0.000 0.869 176 L CB -0.363 41.627 42.059 -0.116 0.000 1.130 176 L HN 0.163 nan 8.230 nan 0.000 0.474 177 P HA 0.075 nan 4.420 nan 0.000 0.271 177 P C 0.782 177.960 177.300 -0.205 0.000 1.220 177 P CA -0.217 62.775 63.100 -0.182 0.000 0.768 177 P CB 0.413 32.011 31.700 -0.169 0.000 0.848 178 T N 2.440 116.854 114.554 -0.234 0.000 2.721 178 T HA -0.243 4.106 4.350 -0.000 0.000 0.268 178 T C 1.461 176.021 174.700 -0.233 0.000 1.038 178 T CA 1.356 63.315 62.100 -0.235 0.000 1.145 178 T CB -0.521 68.200 68.868 -0.245 0.000 0.858 178 T HN 0.304 nan 8.240 nan 0.000 0.459 179 R N 1.518 121.853 120.500 -0.275 0.000 2.200 179 R HA 0.502 4.842 4.340 -0.000 0.000 0.208 179 R C 1.550 177.730 176.300 -0.200 0.000 1.033 179 R CA 0.575 56.518 56.100 -0.262 0.000 1.000 179 R CB -0.651 29.426 30.300 -0.371 0.000 0.906 179 R HN 0.739 nan 8.270 nan 0.000 0.462 180 G N -0.228 108.460 108.800 -0.187 0.000 2.712 180 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.683 180 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.683 180 G C -0.362 174.466 174.900 -0.121 0.000 1.320 180 G CA -0.506 44.504 45.100 -0.150 0.000 0.847 180 G HN 0.286 nan 8.290 nan 0.000 0.553 181 T N -1.083 113.409 114.554 -0.103 0.000 2.902 181 T HA 0.648 4.998 4.350 -0.000 0.000 0.283 181 T C 1.906 176.575 174.700 -0.053 0.000 1.009 181 T CA -0.164 61.893 62.100 -0.071 0.000 1.051 181 T CB 1.517 70.340 68.868 -0.075 0.000 0.999 181 T HN 0.867 nan 8.240 nan 0.000 0.474 182 L N 0.636 121.841 121.223 -0.030 0.000 2.127 182 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 182 L C 2.644 179.503 176.870 -0.018 0.000 1.089 182 L CA 1.465 56.291 54.840 -0.023 0.000 0.757 182 L CB -0.566 41.488 42.059 -0.007 0.000 0.899 182 L HN 0.726 nan 8.230 nan 0.000 0.434 183 E N -0.056 120.136 120.200 -0.013 0.000 2.047 183 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 183 E C 2.345 178.951 176.600 0.011 0.000 0.987 183 E CA 1.609 58.011 56.400 0.003 0.000 0.799 183 E CB -0.176 29.530 29.700 0.010 0.000 0.752 183 E HN 0.481 nan 8.360 nan 0.000 0.449 184 S N -0.218 115.477 115.700 -0.009 0.000 2.470 184 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 184 S C 1.808 176.401 174.600 -0.011 0.000 1.006 184 S CA 0.104 58.307 58.200 0.005 0.000 0.934 184 S CB -0.109 63.072 63.200 -0.032 0.000 0.778 184 S HN 0.041 nan 8.310 nan 0.000 0.517 185 L N 3.145 124.347 121.223 -0.036 0.000 2.056 185 L HA 0.015 4.355 4.340 -0.000 0.000 0.207 185 L C 2.566 179.411 176.870 -0.042 0.000 1.078 185 L CA 2.052 56.861 54.840 -0.053 0.000 0.749 185 L CB -0.926 41.092 42.059 -0.069 0.000 0.901 185 L HN 0.641 nan 8.230 nan 0.000 0.433 186 E N -2.154 118.030 120.200 -0.027 0.000 2.511 186 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 186 E C 1.305 177.910 176.600 0.007 0.000 1.066 186 E CA 0.435 56.823 56.400 -0.020 0.000 0.871 186 E CB -0.475 29.215 29.700 -0.018 0.000 0.863 186 E HN 0.541 nan 8.360 nan 0.000 0.520 187 N N 0.465 119.178 118.700 0.021 0.000 2.205 187 N HA 0.037 4.777 4.740 -0.000 0.000 0.201 187 N C -0.381 175.161 175.510 0.054 0.000 1.128 187 N CA -0.265 52.808 53.050 0.039 0.000 0.867 187 N CB 0.408 38.926 38.487 0.052 0.000 0.996 187 N HN 0.062 nan 8.380 nan 0.000 0.503 188 L N 2.036 123.295 121.223 0.059 0.000 2.380 188 L HA 0.214 4.554 4.340 -0.000 0.000 0.273 188 L C 0.349 177.347 176.870 0.213 0.000 1.138 188 L CA -0.118 54.782 54.840 0.101 0.000 0.832 188 L CB 1.093 43.198 42.059 0.077 0.000 1.124 188 L HN -0.090 nan 8.230 nan 0.000 0.454 189 V N 1.252 121.254 119.914 0.147 0.000 3.126 189 V HA 0.490 4.610 4.120 -0.000 0.000 0.314 189 V C 0.890 176.818 176.094 -0.277 0.000 1.138 189 V CA -0.856 61.462 62.300 0.030 0.000 1.034 189 V CB 1.440 33.244 31.823 -0.032 0.000 1.075 189 V HN 0.396 nan 8.190 nan 0.000 0.442 190 V N 0.935 120.399 119.914 -0.751 0.000 2.453 190 V HA -0.248 3.872 4.120 -0.000 0.000 0.252 190 V C 2.927 178.839 176.094 -0.304 0.000 1.068 190 V CA 2.908 64.758 62.300 -0.751 0.000 1.070 190 V CB -1.438 29.982 31.823 -0.673 0.000 0.664 190 V HN 1.170 nan 8.190 nan 0.000 0.461 191 A N -0.267 122.437 122.820 -0.192 0.000 1.940 191 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 191 A C 2.060 179.624 177.584 -0.032 0.000 1.176 191 A CA 2.019 54.005 52.037 -0.085 0.000 0.631 191 A CB -0.534 18.428 19.000 -0.062 0.000 0.814 191 A HN 0.569 nan 8.150 nan 0.000 0.446 192 D N -0.102 120.281 120.400 -0.028 0.000 2.144 192 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 192 D C 1.957 178.302 176.300 0.076 0.000 0.978 192 D CA 0.779 54.797 54.000 0.030 0.000 0.833 192 D CB -0.172 40.646 40.800 0.030 0.000 0.961 192 D HN 0.273 nan 8.370 nan 0.000 0.470 193 L N 1.239 122.462 121.223 0.001 0.000 2.046 193 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 193 L C 2.285 179.390 176.870 0.391 0.000 1.077 193 L CA 1.495 56.354 54.840 0.031 0.000 0.747 193 L CB -0.866 40.934 42.059 -0.432 0.000 0.896 193 L HN 0.093 nan 8.230 nan 0.000 0.432 194 E N -0.464 119.855 120.200 0.198 0.000 2.051 194 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 194 E C 2.255 178.912 176.600 0.096 0.000 0.991 194 E CA 1.429 57.939 56.400 0.184 0.000 0.799 194 E CB -0.027 29.715 29.700 0.069 0.000 0.748 194 E HN 0.337 nan 8.360 nan 0.000 0.449 195 S N 0.552 116.298 115.700 0.076 0.000 2.383 195 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 195 S C 1.597 176.207 174.600 0.016 0.000 1.030 195 S CA 0.891 59.108 58.200 0.028 0.000 1.002 195 S CB -0.268 62.957 63.200 0.043 0.000 0.829 195 S HN 0.268 nan 8.310 nan 0.000 0.467 196 F N 2.156 122.091 119.950 -0.024 0.000 2.163 196 F HA -0.023 4.504 4.527 -0.000 0.000 0.297 196 F C 2.330 177.910 175.800 -0.366 0.000 1.094 196 F CA 0.980 58.946 58.000 -0.057 0.000 1.290 196 F CB -0.512 38.506 39.000 0.030 0.000 1.017 196 F HN 0.180 nan 8.300 nan 0.000 0.483 197 A N 0.532 123.114 122.820 -0.397 0.000 1.902 197 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 197 A C 1.983 179.225 177.584 -0.571 0.000 1.181 197 A CA 1.945 53.437 52.037 -0.907 0.000 0.623 197 A CB -0.964 17.734 19.000 -0.504 0.000 0.818 197 A HN 0.486 nan 8.150 nan 0.000 0.443 198 N N 0.337 118.843 118.700 -0.324 0.000 2.223 198 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 198 N C 1.171 176.482 175.510 -0.332 0.000 1.016 198 N CA 1.702 54.601 53.050 -0.252 0.000 0.863 198 N CB -0.554 37.841 38.487 -0.154 0.000 0.983 198 N HN 0.675 nan 8.380 nan 0.000 0.429 199 N N -1.054 117.358 118.700 -0.480 0.000 2.405 199 N HA 0.059 4.799 4.740 -0.000 0.000 0.175 199 N C 0.970 175.891 175.510 -0.982 0.000 1.051 199 N CA 0.465 53.118 53.050 -0.660 0.000 0.899 199 N CB 0.299 38.365 38.487 -0.702 0.000 1.000 199 N HN 0.348 nan 8.380 nan 0.000 0.451 200 H N -1.375 117.275 119.070 -0.699 0.000 2.800 200 H HA 0.201 4.757 4.556 -0.000 0.000 0.257 200 H C -0.139 174.890 175.328 -0.498 0.000 0.967 200 H CA -0.057 55.593 56.048 -0.662 0.000 1.192 200 H CB 0.288 29.414 29.762 -1.059 0.000 1.441 200 H HN 0.136 nan 8.280 nan 0.000 0.461 201 F N 2.874 122.357 119.950 -0.778 0.000 2.659 201 F HA 0.223 4.750 4.527 0.000 0.000 0.360 201 F C 0.062 175.620 175.800 -0.403 0.000 1.218 201 F CA -0.250 57.107 58.000 -1.071 0.000 1.317 201 F CB -0.227 38.047 39.000 -1.210 0.000 1.697 201 F HN -0.188 nan 8.300 nan 0.000 0.637 202 L N 0.105 121.344 121.223 0.027 0.000 2.319 202 L HA 0.340 4.680 4.340 -0.000 0.000 0.267 202 L C 1.084 178.058 176.870 0.173 0.000 1.011 202 L CA -0.821 54.055 54.840 0.060 0.000 0.818 202 L CB 1.337 43.383 42.059 -0.023 0.000 1.316 202 L HN 0.070 nan 8.230 nan 0.000 0.432 203 N N 0.560 119.319 118.700 0.100 0.000 2.142 203 N HA -0.176 4.563 4.740 -0.000 0.000 0.186 203 N C 1.669 177.224 175.510 0.075 0.000 1.023 203 N CA 1.817 54.919 53.050 0.087 0.000 0.852 203 N CB 0.124 38.639 38.487 0.048 0.000 0.998 203 N HN 0.688 nan 8.380 nan 0.000 0.424 204 S N -1.546 114.189 115.700 0.058 0.000 2.507 204 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 204 S C 1.184 175.828 174.600 0.073 0.000 0.988 204 S CA 0.722 58.950 58.200 0.048 0.000 0.944 204 S CB -0.298 62.917 63.200 0.026 0.000 0.762 204 S HN 0.387 nan 8.310 nan 0.000 0.526 205 N N 1.077 119.852 118.700 0.125 0.000 2.401 205 N HA 0.549 5.289 4.740 -0.000 0.000 0.264 205 N C -0.571 175.101 175.510 0.270 0.000 1.238 205 N CA 0.116 53.276 53.050 0.185 0.000 0.889 205 N CB 0.899 39.504 38.487 0.196 0.000 1.196 205 N HN 0.514 nan 8.380 nan 0.000 0.511 206 A N -0.808 122.095 122.820 0.137 0.000 2.566 206 A HA 0.800 5.120 4.320 -0.000 0.000 0.292 206 A C -1.560 175.981 177.584 -0.072 0.000 1.112 206 A CA -0.544 51.471 52.037 -0.038 0.000 0.707 206 A CB 1.623 20.536 19.000 -0.146 0.000 1.302 206 A HN -0.020 nan 8.150 nan 0.000 0.409 207 V N 0.805 120.631 119.914 -0.147 0.000 2.655 207 V HA 0.321 4.441 4.120 -0.000 0.000 0.301 207 V C -0.587 175.437 176.094 -0.116 0.000 1.082 207 V CA -0.590 61.653 62.300 -0.095 0.000 0.899 207 V CB 1.573 33.354 31.823 -0.070 0.000 1.014 207 V HN 0.764 nan 8.190 nan 0.000 0.429 208 V N 5.694 125.563 119.914 -0.075 0.000 2.508 208 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 208 V C 0.131 176.202 176.094 -0.037 0.000 1.041 208 V CA -0.024 62.242 62.300 -0.056 0.000 1.016 208 V CB 1.466 33.278 31.823 -0.020 0.000 0.984 208 V HN 0.606 nan 8.190 nan 0.000 0.478 209 V N 3.961 123.853 119.914 -0.036 0.000 2.555 209 V HA 0.849 4.969 4.120 -0.000 0.000 0.302 209 V C 0.505 176.599 176.094 0.001 0.000 1.038 209 V CA -0.276 62.010 62.300 -0.025 0.000 0.887 209 V CB 1.958 33.757 31.823 -0.039 0.000 0.991 209 V HN 0.975 nan 8.190 nan 0.000 0.434 210 G N 2.116 110.922 108.800 0.010 0.000 2.737 210 G HA2 0.670 4.630 3.960 -0.000 0.000 0.290 210 G HA3 0.670 4.630 3.960 -0.000 0.000 0.290 210 G C -0.539 174.378 174.900 0.028 0.000 1.482 210 G CA -0.257 44.861 45.100 0.029 0.000 1.017 210 G HN 0.813 nan 8.290 nan 0.000 0.529 211 T N -0.817 113.754 114.554 0.028 0.000 2.901 211 T HA 0.951 5.301 4.350 -0.000 0.000 0.293 211 T C 0.566 175.287 174.700 0.034 0.000 1.084 211 T CA 0.008 62.124 62.100 0.027 0.000 1.008 211 T CB 2.225 71.101 68.868 0.014 0.000 1.170 211 T HN 2.243 nan 8.240 nan 0.000 0.509 212 G N 1.972 110.792 108.800 0.034 0.000 2.301 212 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.194 212 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.194 212 G C 0.186 175.117 174.900 0.053 0.000 1.266 212 G CA 0.216 45.341 45.100 0.041 0.000 1.210 212 G HN 1.175 nan 8.290 nan 0.000 0.524 213 N N 0.569 119.304 118.700 0.058 0.000 2.373 213 N HA 0.152 4.892 4.740 -0.000 0.000 0.181 213 N C 1.285 176.842 175.510 0.079 0.000 1.082 213 N CA 1.083 54.174 53.050 0.068 0.000 0.885 213 N CB -0.446 38.071 38.487 0.050 0.000 0.977 213 N HN 1.254 nan 8.380 nan 0.000 0.462 214 I N -0.628 119.982 120.570 0.067 0.000 2.872 214 I HA 0.111 4.281 4.170 -0.000 0.000 0.291 214 I C 0.616 176.783 176.117 0.083 0.000 1.216 214 I CA -0.730 60.607 61.300 0.062 0.000 1.424 214 I CB 0.139 38.170 38.000 0.051 0.000 1.351 214 I HN -0.029 nan 8.210 nan 0.000 0.592 215 K N 3.123 123.558 120.400 0.058 0.000 2.144 215 K HA 0.101 4.420 4.320 -0.000 0.000 0.270 215 K C 0.909 177.560 176.600 0.085 0.000 1.005 215 K CA -0.433 55.885 56.287 0.051 0.000 0.932 215 K CB 0.663 33.164 32.500 0.001 0.000 1.021 215 K HN 0.804 nan 8.250 nan 0.000 0.462 216 H N 2.747 121.806 119.070 -0.020 0.000 2.267 216 H HA -0.088 4.468 4.556 -0.000 0.000 0.297 216 H C -0.127 175.191 175.328 -0.016 0.000 1.080 216 H CA 2.032 58.073 56.048 -0.013 0.000 1.278 216 H CB 0.174 29.924 29.762 -0.021 0.000 1.365 216 H HN 0.693 nan 8.280 nan 0.000 0.489 217 E N 0.016 120.079 120.200 -0.228 0.000 2.888 217 E HA 0.033 4.383 4.350 -0.000 0.000 0.271 217 E C -0.089 176.430 176.600 -0.135 0.000 1.527 217 E CA 0.410 56.646 56.400 -0.272 0.000 1.700 217 E CB 0.037 29.629 29.700 -0.180 0.000 1.410 217 E HN 0.548 nan 8.360 nan 0.000 0.445 218 D N -1.223 119.117 120.400 -0.099 0.000 1.921 218 D HA -0.016 4.624 4.640 -0.000 0.000 0.470 218 D C 0.895 177.181 176.300 -0.023 0.000 0.957 218 D CA -0.156 53.817 54.000 -0.045 0.000 0.974 218 D CB 0.065 40.853 40.800 -0.020 0.000 1.682 218 D HN 0.160 nan 8.370 nan 0.000 0.528 219 L N 0.788 122.009 121.223 -0.004 0.000 2.131 219 L HA 0.183 4.523 4.340 -0.000 0.000 0.206 219 L C 1.999 178.876 176.870 0.011 0.000 1.087 219 L CA 1.323 56.178 54.840 0.025 0.000 0.767 219 L CB -0.415 41.686 42.059 0.069 0.000 0.917 219 L HN 0.098 nan 8.230 nan 0.000 0.441 220 V N 0.181 120.082 119.914 -0.021 0.000 2.490 220 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 220 V C 2.289 178.366 176.094 -0.029 0.000 1.061 220 V CA 2.031 64.314 62.300 -0.028 0.000 1.064 220 V CB -0.606 31.163 31.823 -0.091 0.000 0.670 220 V HN 0.606 nan 8.190 nan 0.000 0.461 221 N N 0.525 119.202 118.700 -0.039 0.000 2.084 221 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 221 N C 1.984 177.488 175.510 -0.011 0.000 1.030 221 N CA 1.926 54.959 53.050 -0.028 0.000 0.849 221 N CB -0.600 37.869 38.487 -0.031 0.000 1.012 221 N HN 0.487 nan 8.380 nan 0.000 0.423 222 S N 0.747 116.446 115.700 -0.003 0.000 2.447 222 S HA 0.074 4.543 4.470 -0.000 0.000 0.233 222 S C 1.981 176.588 174.600 0.011 0.000 1.006 222 S CA 0.437 58.641 58.200 0.007 0.000 0.957 222 S CB -0.045 63.163 63.200 0.014 0.000 0.773 222 S HN 0.299 nan 8.310 nan 0.000 0.507 223 I N 1.054 121.630 120.570 0.010 0.000 2.584 223 I HA -0.046 4.124 4.170 -0.000 0.000 0.255 223 I C 2.150 178.273 176.117 0.009 0.000 1.145 223 I CA 0.938 62.247 61.300 0.014 0.000 1.462 223 I CB -0.204 37.806 38.000 0.017 0.000 1.102 223 I HN 0.259 nan 8.210 nan 0.000 0.433 224 E N 0.157 120.358 120.200 0.002 0.000 2.358 224 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 224 E C 2.149 178.749 176.600 0.001 0.000 1.010 224 E CA 0.612 57.012 56.400 -0.001 0.000 0.856 224 E CB 0.077 29.772 29.700 -0.008 0.000 0.795 224 E HN 0.241 nan 8.360 nan 0.000 0.504 225 S N 0.395 116.096 115.700 0.002 0.000 2.382 225 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 225 S C 0.992 175.596 174.600 0.006 0.000 1.027 225 S CA 1.199 59.401 58.200 0.004 0.000 0.991 225 S CB 0.192 63.395 63.200 0.005 0.000 0.823 225 S HN -0.033 nan 8.310 nan 0.000 0.469 226 K N 0.386 120.792 120.400 0.009 0.000 2.760 226 K HA 0.554 4.874 4.320 -0.000 0.000 0.285 226 K C 0.603 177.208 176.600 0.010 0.000 1.016 226 K CA -0.331 55.963 56.287 0.011 0.000 1.087 226 K CB 0.205 32.714 32.500 0.015 0.000 1.427 226 K HN 0.252 nan 8.250 nan 0.000 0.524 227 N N -2.116 116.590 118.700 0.011 0.000 3.202 227 N HA 0.347 5.087 4.740 -0.000 0.000 0.242 227 N C -1.450 174.067 175.510 0.011 0.000 1.514 227 N CA -0.162 52.894 53.050 0.009 0.000 1.016 227 N CB -0.095 38.396 38.487 0.007 0.000 3.069 227 N HN 0.215 nan 8.380 nan 0.000 0.445 228 L N -0.581 120.647 121.223 0.009 0.000 1.697 228 L HA -0.218 4.122 4.340 -0.000 0.000 0.351 228 L C -0.692 176.184 176.870 0.009 0.000 1.100 228 L CA 1.633 56.478 54.840 0.009 0.000 1.229 228 L CB -0.953 41.112 42.059 0.011 0.000 0.585 228 L HN 0.624 nan 8.230 nan 0.000 0.258 229 S N -0.524 115.181 115.700 0.008 0.000 2.933 229 S HA 0.247 4.717 4.470 -0.000 0.000 0.236 229 S C -0.573 174.030 174.600 0.005 0.000 0.836 229 S CA -0.349 57.855 58.200 0.008 0.000 1.298 229 S CB 0.117 63.320 63.200 0.005 0.000 1.243 229 S HN 0.557 nan 8.310 nan 0.000 0.607 230 L N 3.534 124.760 121.223 0.005 0.000 2.737 230 L HA 0.029 4.369 4.340 -0.000 0.000 0.275 230 L C -0.095 176.772 176.870 -0.006 0.000 1.179 230 L CA 1.905 56.744 54.840 -0.001 0.000 0.970 230 L CB -0.868 41.193 42.059 0.003 0.000 1.268 230 L HN 0.613 nan 8.230 nan 0.000 0.485 231 Q N 2.482 122.272 119.800 -0.016 0.000 2.388 231 Q HA -0.135 4.205 4.340 -0.000 0.000 0.306 231 Q C -0.348 175.642 176.000 -0.017 0.000 1.400 231 Q CA 0.805 56.590 55.803 -0.029 0.000 0.731 231 Q CB -1.111 27.602 28.738 -0.042 0.000 1.060 231 Q HN 0.834 nan 8.270 nan 0.000 0.354 232 T N -2.529 112.015 114.554 -0.016 0.000 2.841 232 T HA 0.718 5.068 4.350 -0.000 0.000 0.296 232 T C 0.883 175.574 174.700 -0.014 0.000 1.166 232 T CA 1.119 63.215 62.100 -0.008 0.000 1.007 232 T CB 1.755 70.624 68.868 0.001 0.000 1.253 232 T HN 0.930 nan 8.240 nan 0.000 0.511 233 G N 1.396 110.190 108.800 -0.010 0.000 2.498 233 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.229 233 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.229 233 G C 0.409 175.297 174.900 -0.021 0.000 1.156 233 G CA 0.519 45.611 45.100 -0.013 0.000 0.680 233 G HN 1.078 nan 8.290 nan 0.000 0.512 234 T N 2.930 117.465 114.554 -0.033 0.000 2.926 234 T HA 0.487 4.837 4.350 -0.000 0.000 0.307 234 T C 0.390 175.061 174.700 -0.049 0.000 1.059 234 T CA 0.415 62.486 62.100 -0.049 0.000 1.122 234 T CB 1.294 70.118 68.868 -0.073 0.000 0.972 234 T HN 0.506 nan 8.240 nan 0.000 0.545 235 K N 2.814 123.182 120.400 -0.053 0.000 2.118 235 K HA 0.444 4.764 4.320 -0.000 0.000 0.254 235 K C -2.161 174.389 176.600 -0.084 0.000 0.961 235 K CA -1.977 54.282 56.287 -0.047 0.000 0.876 235 K CB 0.879 33.361 32.500 -0.029 0.000 1.077 235 K HN 0.417 nan 8.250 nan 0.000 0.440 236 P HA 0.035 nan 4.420 nan 0.000 0.273 236 P C -0.319 176.916 177.300 -0.107 0.000 1.250 236 P CA -0.414 62.600 63.100 -0.144 0.000 0.793 236 P CB 0.473 32.147 31.700 -0.044 0.000 1.011 237 V N 0.339 120.170 119.914 -0.138 0.000 3.083 237 V HA 0.289 4.409 4.120 -0.000 0.000 0.306 237 V C 0.630 176.731 176.094 0.013 0.000 1.077 237 V CA -0.504 61.760 62.300 -0.060 0.000 1.073 237 V CB 0.314 32.095 31.823 -0.070 0.000 1.081 237 V HN 0.307 nan 8.190 nan 0.000 0.474 238 L N 1.726 122.958 121.223 0.015 0.000 2.279 238 L HA 0.868 5.208 4.340 -0.000 0.000 0.262 238 L C -0.314 176.576 176.870 0.033 0.000 1.019 238 L CA -0.826 54.032 54.840 0.030 0.000 0.823 238 L CB 1.521 43.593 42.059 0.022 0.000 1.358 238 L HN 0.946 nan 8.230 nan 0.000 0.432 239 K N -0.700 119.721 120.400 0.035 0.000 2.160 239 K HA 0.422 4.742 4.320 -0.000 0.000 0.251 239 K C -0.915 175.705 176.600 0.033 0.000 0.760 239 K CA -0.867 55.440 56.287 0.035 0.000 0.613 239 K CB 0.702 33.226 32.500 0.040 0.000 1.455 239 K HN 0.295 nan 8.250 nan 0.000 0.378 240 K N 1.137 121.557 120.400 0.034 0.000 2.237 240 K HA 0.201 4.521 4.320 -0.000 0.000 0.270 240 K C -0.803 175.817 176.600 0.034 0.000 1.015 240 K CA -0.391 55.917 56.287 0.036 0.000 0.949 240 K CB 0.429 32.952 32.500 0.038 0.000 0.976 240 K HN 0.493 nan 8.250 nan 0.000 0.472 241 K N 1.515 121.939 120.400 0.039 0.000 2.154 241 K HA 0.317 4.637 4.320 -0.000 0.000 0.264 241 K C -0.498 176.128 176.600 0.043 0.000 1.008 241 K CA -0.627 55.683 56.287 0.038 0.000 0.937 241 K CB 0.884 33.413 32.500 0.049 0.000 1.002 241 K HN 0.542 nan 8.250 nan 0.000 0.469 242 A N 1.113 123.941 122.820 0.014 0.000 2.520 242 A HA 0.462 4.782 4.320 -0.000 0.000 0.245 242 A C -0.182 177.487 177.584 0.142 0.000 1.072 242 A CA 0.154 52.192 52.037 0.002 0.000 0.761 242 A CB -0.549 18.323 19.000 -0.212 0.000 1.004 242 A HN 0.786 nan 8.150 nan 0.000 0.499 243 A N 2.474 125.450 122.820 0.260 0.000 2.374 243 A HA 0.624 4.944 4.320 -0.000 0.000 0.305 243 A C -0.695 177.172 177.584 0.470 0.000 1.053 243 A CA -0.487 51.744 52.037 0.323 0.000 0.726 243 A CB 0.654 19.773 19.000 0.197 0.000 1.229 243 A HN 1.126 nan 8.150 nan 0.000 0.431 244 F N 2.671 122.812 119.950 0.318 0.000 2.412 244 F HA 0.600 5.127 4.527 0.000 0.000 0.348 244 F C -0.518 175.321 175.800 0.065 0.000 1.102 244 F CA -0.427 57.657 58.000 0.141 0.000 1.196 244 F CB 0.959 40.031 39.000 0.119 0.000 1.144 244 F HN 0.487 nan 8.300 nan 0.000 0.541 245 L N 6.191 127.079 121.223 -0.560 0.000 2.409 245 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 245 L C -0.235 176.317 176.870 -0.531 0.000 0.980 245 L CA -0.355 54.291 54.840 -0.323 0.000 0.826 245 L CB 1.610 43.554 42.059 -0.191 0.000 1.268 245 L HN 0.689 nan 8.230 nan 0.000 0.407 246 G N 3.290 111.998 108.800 -0.155 0.000 2.298 246 G HA2 0.461 4.420 3.960 -0.000 0.000 0.263 246 G HA3 0.461 4.420 3.960 -0.000 0.000 0.263 246 G C -0.231 174.565 174.900 -0.173 0.000 1.229 246 G CA 0.682 45.782 45.100 -0.000 0.000 0.976 246 G HN 1.029 nan 8.290 nan 0.000 0.459 247 S N 1.164 116.784 115.700 -0.134 0.000 2.694 247 S HA 0.773 5.243 4.470 -0.000 0.000 0.273 247 S C -0.991 173.612 174.600 0.006 0.000 1.180 247 S CA -0.682 57.394 58.200 -0.208 0.000 0.864 247 S CB 1.950 65.033 63.200 -0.195 0.000 1.198 247 S HN 1.095 nan 8.310 nan 0.000 0.499 248 E N -0.986 119.206 120.200 -0.012 0.000 2.390 248 E HA 0.686 5.036 4.350 -0.000 0.000 0.280 248 E C -2.036 174.588 176.600 0.038 0.000 0.992 248 E CA -1.172 55.274 56.400 0.076 0.000 0.790 248 E CB 1.972 31.778 29.700 0.176 0.000 1.248 248 E HN 0.824 nan 8.360 nan 0.000 0.447 249 V N 1.917 121.865 119.914 0.057 0.000 2.525 249 V HA 0.560 4.680 4.120 -0.000 0.000 0.299 249 V C -1.430 174.681 176.094 0.028 0.000 1.034 249 V CA -0.494 61.833 62.300 0.044 0.000 0.863 249 V CB 1.528 33.399 31.823 0.080 0.000 0.999 249 V HN 0.704 nan 8.190 nan 0.000 0.423 250 R N 6.270 126.777 120.500 0.011 0.000 2.310 250 R HA 0.575 4.914 4.340 -0.000 0.000 0.324 250 R C -0.827 175.456 176.300 -0.028 0.000 0.955 250 R CA -0.482 55.618 56.100 0.000 0.000 0.830 250 R CB 1.685 31.994 30.300 0.015 0.000 1.154 250 R HN 0.682 nan 8.270 nan 0.000 0.458 251 L N 3.348 124.539 121.223 -0.054 0.000 2.843 251 L HA 0.345 4.685 4.340 -0.000 0.000 0.234 251 L C 0.542 177.390 176.870 -0.036 0.000 1.264 251 L CA -0.355 54.440 54.840 -0.076 0.000 1.052 251 L CB 0.146 42.103 42.059 -0.171 0.000 1.372 251 L HN 0.336 nan 8.230 nan 0.000 0.466 252 R N 1.596 122.087 120.500 -0.016 0.000 2.538 252 R HA 0.026 4.366 4.340 -0.000 0.000 0.282 252 R C -0.794 175.503 176.300 -0.006 0.000 1.009 252 R CA 0.565 56.663 56.100 -0.004 0.000 1.063 252 R CB 0.494 30.793 30.300 -0.002 0.000 0.945 252 R HN 0.247 nan 8.270 nan 0.000 0.414 253 D N 2.906 123.307 120.400 0.001 0.000 2.375 253 D HA 0.101 4.741 4.640 -0.000 0.000 0.241 253 D C -0.536 175.768 176.300 0.006 0.000 1.361 253 D CA -0.473 53.527 54.000 -0.001 0.000 0.995 253 D CB 1.113 41.907 40.800 -0.010 0.000 1.312 253 D HN 0.424 nan 8.370 nan 0.000 0.576 254 D N 1.204 121.606 120.400 0.003 0.000 2.371 254 D HA -0.081 4.559 4.640 -0.000 0.000 0.221 254 D C 1.902 178.205 176.300 0.005 0.000 0.986 254 D CA 0.827 54.828 54.000 0.002 0.000 0.899 254 D CB 0.272 41.071 40.800 -0.001 0.000 0.902 254 D HN 0.546 nan 8.370 nan 0.000 0.530 255 T N -1.944 112.615 114.554 0.007 0.000 3.055 255 T HA 0.051 4.401 4.350 -0.000 0.000 0.265 255 T C 1.149 175.860 174.700 0.020 0.000 1.111 255 T CA 0.001 62.108 62.100 0.012 0.000 1.118 255 T CB -0.016 68.860 68.868 0.012 0.000 0.909 255 T HN -0.002 nan 8.240 nan 0.000 0.501 256 L N 2.390 123.627 121.223 0.023 0.000 2.395 256 L HA 0.319 4.659 4.340 -0.000 0.000 0.269 256 L C -1.048 175.853 176.870 0.053 0.000 1.133 256 L CA -2.178 52.695 54.840 0.055 0.000 0.812 256 L CB 0.949 43.052 42.059 0.074 0.000 1.125 256 L HN -0.036 nan 8.230 nan 0.000 0.452 257 P HA 0.031 nan 4.420 nan 0.000 0.241 257 P C -0.237 176.984 177.300 -0.132 0.000 1.191 257 P CA 0.856 63.952 63.100 -0.008 0.000 0.771 257 P CB 0.536 32.252 31.700 0.027 0.000 0.929 258 K N -0.710 119.520 120.400 -0.284 0.000 2.399 258 K HA 0.739 5.059 4.320 -0.000 0.000 0.260 258 K C -1.054 175.216 176.600 -0.550 0.000 1.049 258 K CA -1.031 54.864 56.287 -0.654 0.000 0.890 258 K CB 2.127 33.786 32.500 -1.401 0.000 1.430 258 K HN -0.269 nan 8.250 nan 0.000 0.459 259 A N 1.138 123.628 122.820 -0.549 0.000 2.311 259 A HA 0.531 4.851 4.320 -0.000 0.000 0.306 259 A C -1.598 175.829 177.584 -0.262 0.000 1.189 259 A CA -0.629 51.276 52.037 -0.219 0.000 0.791 259 A CB 0.544 19.467 19.000 -0.129 0.000 1.172 259 A HN 0.536 nan 8.150 nan 0.000 0.481 260 W N 3.179 124.456 121.300 -0.038 0.000 2.417 260 W HA 0.555 5.214 4.660 -0.000 0.000 0.315 260 W C -0.614 175.889 176.519 -0.028 0.000 1.045 260 W CA -0.458 56.874 57.345 -0.022 0.000 1.221 260 W CB 1.797 31.259 29.460 0.002 0.000 1.309 260 W HN 0.707 nan 8.180 nan 0.000 0.453 261 I N 1.160 121.809 120.570 0.132 0.000 2.865 261 I HA 0.704 4.874 4.170 -0.000 0.000 0.302 261 I C -0.959 175.152 176.117 -0.011 0.000 1.140 261 I CA -0.350 60.985 61.300 0.058 0.000 1.021 261 I CB 2.427 40.436 38.000 0.014 0.000 1.233 261 I HN 0.035 nan 8.210 nan 0.000 0.427 262 S N 5.986 121.717 115.700 0.052 0.000 2.571 262 S HA 0.772 5.242 4.470 -0.000 0.000 0.284 262 S C -1.291 173.423 174.600 0.191 0.000 1.128 262 S CA -0.556 57.708 58.200 0.106 0.000 0.970 262 S CB 1.537 64.862 63.200 0.209 0.000 1.039 262 S HN 0.786 nan 8.310 nan 0.000 0.485 263 L N 2.598 123.998 121.223 0.295 0.000 2.445 263 L HA 0.956 5.296 4.340 -0.000 0.000 0.262 263 L C -1.195 175.962 176.870 0.478 0.000 0.974 263 L CA -0.274 54.793 54.840 0.377 0.000 0.822 263 L CB 1.635 43.929 42.059 0.392 0.000 1.339 263 L HN 0.862 nan 8.230 nan 0.000 0.409 264 A N 3.140 126.222 122.820 0.436 0.000 2.608 264 A HA 0.721 5.041 4.320 -0.000 0.000 0.292 264 A C -1.344 176.472 177.584 0.387 0.000 1.066 264 A CA -0.201 52.087 52.037 0.419 0.000 0.676 264 A CB 1.517 20.804 19.000 0.479 0.000 1.277 264 A HN 0.858 nan 8.150 nan 0.000 0.413 265 V N -1.326 118.735 119.914 0.245 0.000 3.211 265 V HA 0.724 4.844 4.120 -0.000 0.000 0.319 265 V C 0.354 176.219 176.094 -0.382 0.000 1.096 265 V CA -0.696 61.571 62.300 -0.056 0.000 1.029 265 V CB 1.311 33.080 31.823 -0.091 0.000 1.137 265 V HN 1.031 nan 8.190 nan 0.000 0.453 266 E N 0.724 120.287 120.200 -1.062 0.000 2.351 266 E HA 0.402 4.752 4.350 -0.000 0.000 0.266 266 E C 0.505 177.019 176.600 -0.144 0.000 1.031 266 E CA 0.398 56.318 56.400 -0.800 0.000 0.911 266 E CB 0.636 29.854 29.700 -0.804 0.000 0.986 266 E HN 0.994 nan 8.360 nan 0.000 0.446 267 G N 3.973 112.860 108.800 0.146 0.000 2.829 267 G HA2 0.158 4.118 3.960 -0.000 0.000 0.173 267 G HA3 0.158 4.118 3.960 -0.000 0.000 0.173 267 G C -0.488 174.585 174.900 0.287 0.000 1.476 267 G CA -0.394 44.888 45.100 0.303 0.000 1.072 267 G HN 0.571 nan 8.290 nan 0.000 0.577 268 E N 1.030 121.418 120.200 0.313 0.000 2.195 268 E HA 0.387 4.737 4.350 -0.000 0.000 0.271 268 E C -2.421 174.328 176.600 0.248 0.000 0.923 268 E CA -1.752 54.809 56.400 0.267 0.000 0.790 268 E CB 2.389 32.241 29.700 0.253 0.000 1.155 268 E HN 0.211 nan 8.360 nan 0.000 0.402 269 P HA 0.111 nan 4.420 nan 0.000 0.282 269 P C 0.094 177.491 177.300 0.161 0.000 1.259 269 P CA -0.609 62.604 63.100 0.190 0.000 0.826 269 P CB 0.948 32.742 31.700 0.156 0.000 1.064 270 V N -1.242 118.733 119.914 0.102 0.000 2.673 270 V HA 0.152 4.272 4.120 -0.000 0.000 0.303 270 V C 0.855 176.905 176.094 -0.074 0.000 1.046 270 V CA 0.108 62.377 62.300 -0.053 0.000 1.126 270 V CB -0.727 31.047 31.823 -0.082 0.000 0.934 270 V HN 0.802 nan 8.190 nan 0.000 0.487 271 N N 0.670 119.262 118.700 -0.181 0.000 3.002 271 N HA -0.170 4.570 4.740 -0.000 0.000 0.229 271 N C 0.436 175.944 175.510 -0.003 0.000 0.927 271 N CA 1.197 54.192 53.050 -0.092 0.000 0.980 271 N CB -1.040 37.421 38.487 -0.044 0.000 1.077 271 N HN 1.121 nan 8.380 nan 0.000 0.572 272 S N 0.823 116.550 115.700 0.046 0.000 2.580 272 S HA 0.400 4.870 4.470 -0.000 0.000 0.274 272 S C -1.200 173.468 174.600 0.114 0.000 1.329 272 S CA -0.942 57.322 58.200 0.105 0.000 1.036 272 S CB 1.442 64.739 63.200 0.162 0.000 0.919 272 S HN -0.068 nan 8.310 nan 0.000 0.515 273 P HA 0.021 nan 4.420 nan 0.000 0.220 273 P C -0.005 177.378 177.300 0.140 0.000 1.148 273 P CA 1.114 64.286 63.100 0.119 0.000 0.803 273 P CB -0.062 31.700 31.700 0.103 0.000 0.782 274 N N -2.277 116.508 118.700 0.141 0.000 2.276 274 N HA 0.025 4.764 4.740 -0.000 0.000 0.212 274 N C 1.019 176.523 175.510 -0.010 0.000 1.127 274 N CA -0.317 52.779 53.050 0.077 0.000 0.834 274 N CB -0.388 38.202 38.487 0.171 0.000 1.014 274 N HN 0.087 nan 8.380 nan 0.000 0.491 275 Y N 0.471 120.715 120.300 -0.094 0.000 2.114 275 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 275 Y C 1.169 176.868 175.900 -0.335 0.000 1.165 275 Y CA 1.788 59.749 58.100 -0.233 0.000 1.148 275 Y CB -0.149 38.098 38.460 -0.355 0.000 0.972 275 Y HN 0.076 nan 8.280 nan 0.000 0.504 276 F N -1.624 118.334 119.950 0.015 0.000 2.293 276 F HA -0.113 4.414 4.527 0.000 0.000 0.297 276 F C 2.214 177.886 175.800 -0.214 0.000 1.089 276 F CA 0.890 58.835 58.000 -0.092 0.000 1.377 276 F CB -0.419 38.605 39.000 0.040 0.000 1.051 276 F HN -0.140 nan 8.300 nan 0.000 0.511 277 V N 0.021 119.866 119.914 -0.115 0.000 2.358 277 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 277 V C 2.566 178.245 176.094 -0.691 0.000 1.047 277 V CA 1.797 63.900 62.300 -0.328 0.000 1.035 277 V CB -1.321 30.298 31.823 -0.341 0.000 0.658 277 V HN 0.342 nan 8.190 nan 0.000 0.452 278 A N -0.333 121.941 122.820 -0.910 0.000 1.933 278 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 278 A C 2.316 179.717 177.584 -0.306 0.000 1.175 278 A CA 1.823 53.249 52.037 -1.019 0.000 0.628 278 A CB -0.410 18.288 19.000 -0.503 0.000 0.814 278 A HN 0.524 nan 8.150 nan 0.000 0.444 279 K N -0.823 119.410 120.400 -0.279 0.000 2.148 279 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 279 K C 1.923 178.479 176.600 -0.073 0.000 1.050 279 K CA 1.129 57.325 56.287 -0.151 0.000 0.942 279 K CB -0.271 32.093 32.500 -0.226 0.000 0.724 279 K HN 0.522 nan 8.250 nan 0.000 0.446 280 L N 0.558 121.715 121.223 -0.110 0.000 2.109 280 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 280 L C 2.296 179.108 176.870 -0.096 0.000 1.086 280 L CA 1.089 55.874 54.840 -0.091 0.000 0.760 280 L CB -0.238 41.761 42.059 -0.101 0.000 0.910 280 L HN 0.089 nan 8.230 nan 0.000 0.437 281 A N -0.077 122.679 122.820 -0.106 0.000 1.877 281 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 281 A C 2.443 180.169 177.584 0.236 0.000 1.186 281 A CA 1.706 53.761 52.037 0.030 0.000 0.620 281 A CB -1.024 17.943 19.000 -0.056 0.000 0.822 281 A HN 0.557 nan 8.150 nan 0.000 0.443 282 A N -1.135 121.870 122.820 0.308 0.000 1.933 282 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 282 A C 2.132 179.719 177.584 0.006 0.000 1.175 282 A CA 2.108 54.177 52.037 0.053 0.000 0.628 282 A CB -0.506 18.417 19.000 -0.129 0.000 0.814 282 A HN 0.521 nan 8.150 nan 0.000 0.444 283 Q N 0.061 119.851 119.800 -0.018 0.000 2.170 283 Q HA -0.066 4.274 4.340 -0.000 0.000 0.203 283 Q C 1.670 177.607 176.000 -0.105 0.000 0.976 283 Q CA 1.493 57.278 55.803 -0.031 0.000 0.858 283 Q CB -0.544 28.174 28.738 -0.033 0.000 0.907 283 Q HN 0.723 nan 8.270 nan 0.000 0.433 284 I N -0.683 119.736 120.570 -0.251 0.000 2.208 284 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 284 I C 1.047 176.857 176.117 -0.513 0.000 1.097 284 I CA 1.120 62.149 61.300 -0.453 0.000 1.363 284 I CB -0.177 37.380 38.000 -0.738 0.000 1.051 284 I HN 0.187 nan 8.210 nan 0.000 0.413 285 F N 0.368 120.244 119.950 -0.123 0.000 2.656 285 F HA 0.318 4.845 4.527 0.000 0.000 0.291 285 F C 1.845 177.684 175.800 0.064 0.000 1.122 285 F CA 0.342 58.197 58.000 -0.243 0.000 1.427 285 F CB -1.149 37.276 39.000 -0.958 0.000 1.125 285 F HN 0.115 nan 8.300 nan 0.000 0.583 286 G N 0.482 109.405 108.800 0.204 0.000 2.582 286 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.300 286 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.300 286 G C 0.026 175.230 174.900 0.507 0.000 1.300 286 G CA 0.111 45.394 45.100 0.304 0.000 0.959 286 G HN 0.358 nan 8.290 nan 0.000 0.548 287 S N -1.327 114.525 115.700 0.254 0.000 2.638 287 S HA 0.732 5.202 4.470 -0.000 0.000 0.302 287 S C -1.024 173.469 174.600 -0.179 0.000 1.096 287 S CA 0.105 58.344 58.200 0.066 0.000 0.953 287 S CB 2.155 65.405 63.200 0.083 0.000 1.107 287 S HN 1.265 nan 8.310 nan 0.000 0.503 288 Y N 1.264 121.185 120.300 -0.632 0.000 2.480 288 Y HA 0.441 4.991 4.550 -0.000 0.000 0.329 288 Y C -1.469 174.229 175.900 -0.336 0.000 1.127 288 Y CA -0.507 57.251 58.100 -0.571 0.000 1.037 288 Y CB 1.242 39.094 38.460 -1.014 0.000 1.320 288 Y HN 0.765 nan 8.280 nan 0.000 0.446 289 N N 4.476 122.715 118.700 -0.768 0.000 2.531 289 N HA 0.478 5.218 4.740 -0.000 0.000 0.268 289 N C 0.270 175.226 175.510 -0.925 0.000 1.023 289 N CA 0.298 52.988 53.050 -0.599 0.000 0.896 289 N CB 1.650 40.011 38.487 -0.211 0.000 1.233 289 N HN 0.878 nan 8.380 nan 0.000 0.512 290 A N 3.068 125.215 122.820 -1.122 0.000 2.194 290 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 290 A C 0.817 178.017 177.584 -0.639 0.000 1.162 290 A CA 1.061 52.573 52.037 -0.875 0.000 0.674 290 A CB -0.570 18.067 19.000 -0.604 0.000 0.789 290 A HN 0.737 nan 8.150 nan 0.000 0.470 291 F N -0.307 119.514 119.950 -0.215 0.000 2.746 291 F HA 0.155 4.682 4.527 -0.000 0.000 0.297 291 F C 0.688 176.432 175.800 -0.093 0.000 1.113 291 F CA 0.066 57.998 58.000 -0.112 0.000 1.367 291 F CB 0.443 39.392 39.000 -0.085 0.000 1.111 291 F HN 0.026 nan 8.300 nan 0.000 0.590 292 E N 1.358 121.564 120.200 0.010 0.000 2.081 292 E HA 0.157 4.507 4.350 -0.000 0.000 0.276 292 E C -1.825 174.768 176.600 -0.012 0.000 0.950 292 E CA -1.776 54.625 56.400 0.002 0.000 0.776 292 E CB 1.241 30.928 29.700 -0.021 0.000 1.094 292 E HN 0.018 nan 8.360 nan 0.000 0.402 293 P HA -0.271 nan 4.420 nan 0.000 0.217 293 P C 1.124 178.438 177.300 0.025 0.000 1.162 293 P CA 2.131 65.242 63.100 0.018 0.000 0.901 293 P CB 0.322 32.035 31.700 0.021 0.000 0.793 294 A N -1.219 121.613 122.820 0.021 0.000 1.972 294 A HA -0.178 4.141 4.320 -0.000 0.000 0.219 294 A C 2.483 180.092 177.584 0.043 0.000 1.169 294 A CA 2.056 54.110 52.037 0.028 0.000 0.635 294 A CB -1.590 17.423 19.000 0.021 0.000 0.810 294 A HN 0.203 nan 8.150 nan 0.000 0.446 295 S N -0.517 115.201 115.700 0.031 0.000 2.399 295 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 295 S C 2.042 176.758 174.600 0.194 0.000 1.022 295 S CA 1.228 59.465 58.200 0.060 0.000 0.983 295 S CB -0.342 62.820 63.200 -0.063 0.000 0.803 295 S HN 0.641 nan 8.310 nan 0.000 0.480 296 R N 0.218 120.822 120.500 0.173 0.000 2.235 296 R HA 0.127 4.466 4.340 -0.000 0.000 0.213 296 R C 1.476 177.857 176.300 0.135 0.000 1.059 296 R CA 0.731 56.983 56.100 0.252 0.000 0.997 296 R CB -0.222 30.174 30.300 0.161 0.000 0.884 296 R HN 0.431 nan 8.270 nan 0.000 0.462 297 L N 0.685 121.964 121.223 0.093 0.000 2.607 297 L HA 0.091 4.430 4.340 -0.000 0.000 0.228 297 L C 0.489 177.391 176.870 0.053 0.000 1.123 297 L CA -0.045 54.830 54.840 0.058 0.000 0.890 297 L CB -0.045 42.039 42.059 0.041 0.000 1.103 297 L HN 0.092 nan 8.230 nan 0.000 0.468 298 Q N 0.572 120.416 119.800 0.074 0.000 2.474 298 Q HA 0.105 4.444 4.340 -0.000 0.000 0.256 298 Q C 0.930 176.958 176.000 0.047 0.000 1.048 298 Q CA 0.241 56.081 55.803 0.063 0.000 0.922 298 Q CB 0.480 29.271 28.738 0.088 0.000 1.288 298 Q HN 0.268 nan 8.270 nan 0.000 0.484 299 G N 2.300 111.120 108.800 0.033 0.000 3.458 299 G HA2 0.367 4.327 3.960 -0.000 0.000 0.256 299 G HA3 0.367 4.327 3.960 -0.000 0.000 0.256 299 G C -0.314 174.601 174.900 0.024 0.000 0.938 299 G CA -0.174 44.938 45.100 0.020 0.000 1.890 299 G HN 0.399 nan 8.290 nan 0.000 0.639 300 I N 0.473 121.070 120.570 0.045 0.000 2.439 300 I HA 0.198 4.368 4.170 -0.000 0.000 0.283 300 I C 0.988 177.141 176.117 0.059 0.000 1.023 300 I CA -0.758 60.586 61.300 0.074 0.000 1.100 300 I CB 2.106 40.195 38.000 0.149 0.000 1.238 300 I HN 0.175 nan 8.210 nan 0.000 0.445 301 K N 3.286 123.720 120.400 0.056 0.000 2.113 301 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 301 K C 1.850 178.442 176.600 -0.014 0.000 1.047 301 K CA 1.313 57.613 56.287 0.022 0.000 0.928 301 K CB -0.061 32.460 32.500 0.036 0.000 0.716 301 K HN 0.493 nan 8.250 nan 0.000 0.446 302 L N 1.632 122.869 121.223 0.023 0.000 2.129 302 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 302 L C 1.778 178.585 176.870 -0.106 0.000 1.087 302 L CA 1.497 56.299 54.840 -0.064 0.000 0.757 302 L CB -0.277 41.747 42.059 -0.059 0.000 0.896 302 L HN 0.166 nan 8.230 nan 0.000 0.434 303 L N -0.904 120.281 121.223 -0.063 0.000 2.191 303 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 303 L C 1.997 178.793 176.870 -0.124 0.000 1.103 303 L CA 1.066 55.831 54.840 -0.126 0.000 0.769 303 L CB -0.833 41.161 42.059 -0.109 0.000 0.908 303 L HN 0.309 nan 8.230 nan 0.000 0.438 304 D N 0.075 120.407 120.400 -0.113 0.000 2.219 304 D HA -0.129 4.511 4.640 -0.000 0.000 0.205 304 D C 1.724 177.912 176.300 -0.186 0.000 0.970 304 D CA 1.078 55.006 54.000 -0.119 0.000 0.851 304 D CB -0.160 40.581 40.800 -0.099 0.000 0.943 304 D HN 0.472 nan 8.370 nan 0.000 0.488 305 N N 0.104 118.623 118.700 -0.302 0.000 2.395 305 N HA 0.044 4.784 4.740 -0.000 0.000 0.175 305 N C 1.902 177.218 175.510 -0.323 0.000 1.029 305 N CA 0.304 53.017 53.050 -0.562 0.000 0.897 305 N CB 0.275 38.081 38.487 -1.136 0.000 0.991 305 N HN 0.276 nan 8.380 nan 0.000 0.441 306 I N -2.188 118.290 120.570 -0.154 0.000 3.783 306 I HA 0.120 4.290 4.170 -0.000 0.000 0.310 306 I C 1.195 177.331 176.117 0.032 0.000 1.274 306 I CA 0.432 61.733 61.300 0.001 0.000 1.294 306 I CB 0.084 38.099 38.000 0.026 0.000 1.051 306 I HN 0.006 nan 8.210 nan 0.000 0.435 307 Q N 1.434 121.224 119.800 -0.017 0.000 2.354 307 Q HA -0.055 4.285 4.340 -0.000 0.000 0.203 307 Q C 1.806 177.804 176.000 -0.003 0.000 0.933 307 Q CA 0.650 56.459 55.803 0.008 0.000 0.901 307 Q CB 0.169 28.904 28.738 -0.004 0.000 1.007 307 Q HN 0.614 nan 8.270 nan 0.000 0.495 308 E N 0.385 120.582 120.200 -0.004 0.000 2.038 308 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 308 E C 0.529 177.011 176.600 -0.198 0.000 1.000 308 E CA 1.226 57.580 56.400 -0.077 0.000 0.803 308 E CB 0.127 29.831 29.700 0.006 0.000 0.750 308 E HN 0.388 nan 8.360 nan 0.000 0.448 309 Y N -0.457 119.857 120.300 0.023 0.000 2.507 309 Y HA 0.190 4.740 4.550 0.000 0.000 0.254 309 Y C -0.109 175.807 175.900 0.027 0.000 1.171 309 Y CA -0.151 57.966 58.100 0.029 0.000 1.238 309 Y CB 0.739 39.227 38.460 0.045 0.000 1.148 309 Y HN 0.000 nan 8.280 nan 0.000 0.525 310 Q N 0.540 120.414 119.800 0.124 0.000 2.448 310 Q HA -0.187 4.153 4.340 -0.000 0.000 0.357 310 Q C 0.077 176.143 176.000 0.110 0.000 1.443 310 Q CA 0.091 55.947 55.803 0.090 0.000 0.996 310 Q CB -1.253 27.503 28.738 0.030 0.000 1.180 310 Q HN 0.416 nan 8.270 nan 0.000 0.338 311 L N -0.473 120.833 121.223 0.138 0.000 2.456 311 L HA 0.085 4.425 4.340 -0.000 0.000 0.224 311 L C 1.160 178.098 176.870 0.113 0.000 1.148 311 L CA 1.520 56.437 54.840 0.128 0.000 0.825 311 L CB -0.992 41.158 42.059 0.152 0.000 0.937 311 L HN 0.872 nan 8.230 nan 0.000 0.450 312 C N -5.879 113.505 119.300 0.141 0.000 3.312 312 C HA 0.408 4.867 4.460 -0.000 0.000 0.332 312 C C 0.976 176.034 174.990 0.114 0.000 1.340 312 C CA -1.004 58.095 59.018 0.135 0.000 1.265 312 C CB 0.965 28.839 27.740 0.223 0.000 1.563 312 C HN 0.073 nan 8.230 nan 0.000 0.471 313 D N 1.247 121.681 120.400 0.057 0.000 2.271 313 D HA 0.164 4.804 4.640 -0.000 0.000 0.206 313 D C 0.515 176.811 176.300 -0.007 0.000 0.967 313 D CA 1.476 55.476 54.000 -0.001 0.000 0.867 313 D CB 0.169 41.058 40.800 0.148 0.000 0.960 313 D HN 0.858 nan 8.370 nan 0.000 0.509 314 N N -0.726 118.037 118.700 0.106 0.000 3.348 314 N HA 0.230 4.970 4.740 -0.000 0.000 0.233 314 N C -1.328 174.345 175.510 0.271 0.000 1.440 314 N CA -0.608 52.497 53.050 0.092 0.000 0.887 314 N CB 1.363 39.864 38.487 0.024 0.000 1.410 314 N HN -0.017 nan 8.380 nan 0.000 0.502 315 F N -1.767 118.329 119.950 0.244 0.000 2.773 315 F HA 0.639 5.166 4.527 -0.000 0.000 0.314 315 F C -2.101 173.849 175.800 0.250 0.000 1.160 315 F CA -0.934 57.192 58.000 0.210 0.000 0.920 315 F CB 1.361 40.556 39.000 0.325 0.000 1.323 315 F HN 0.689 nan 8.300 nan 0.000 0.457 316 N N 0.187 119.238 118.700 0.585 0.000 2.554 316 N HA 0.192 4.932 4.740 -0.000 0.000 0.271 316 N C -2.104 173.626 175.510 0.367 0.000 1.081 316 N CA -0.580 52.754 53.050 0.473 0.000 0.994 316 N CB 1.433 40.093 38.487 0.289 0.000 1.641 316 N HN 0.866 nan 8.380 nan 0.000 0.511 317 H N 1.458 120.724 119.070 0.328 0.000 2.505 317 H HA 0.517 5.073 4.556 -0.000 0.000 0.351 317 H C -0.581 174.695 175.328 -0.087 0.000 1.151 317 H CA 0.221 56.245 56.048 -0.041 0.000 1.339 317 H CB 1.147 30.876 29.762 -0.054 0.000 1.483 317 H HN 0.589 nan 8.280 nan 0.000 0.558 318 F N -1.348 118.515 119.950 -0.145 0.000 2.645 318 F HA 0.371 4.898 4.527 -0.000 0.000 0.310 318 F C -0.434 175.186 175.800 -0.299 0.000 1.102 318 F CA -1.252 56.662 58.000 -0.143 0.000 0.952 318 F CB 1.531 40.519 39.000 -0.020 0.000 1.326 318 F HN 0.281 nan 8.300 nan 0.000 0.456 319 S N 2.544 118.338 115.700 0.156 0.000 2.158 319 S HA 0.545 5.015 4.470 -0.000 0.000 0.160 319 S C -1.311 173.365 174.600 0.126 0.000 1.693 319 S CA -0.406 57.884 58.200 0.150 0.000 1.251 319 S CB -0.359 62.891 63.200 0.082 0.000 1.153 319 S HN 0.538 nan 8.310 nan 0.000 0.439 320 L N 3.203 124.542 121.223 0.194 0.000 2.410 320 L HA 0.448 4.788 4.340 -0.000 0.000 0.273 320 L C 0.423 177.251 176.870 -0.070 0.000 1.152 320 L CA 0.667 55.511 54.840 0.008 0.000 0.855 320 L CB 0.919 43.025 42.059 0.078 0.000 1.129 320 L HN 0.465 nan 8.230 nan 0.000 0.463 321 S N 3.272 118.798 115.700 -0.289 0.000 2.532 321 S HA 0.732 5.202 4.470 -0.000 0.000 0.299 321 S C -0.978 173.376 174.600 -0.410 0.000 1.105 321 S CA -0.497 57.610 58.200 -0.155 0.000 1.018 321 S CB 1.177 64.479 63.200 0.171 0.000 1.021 321 S HN 0.350 nan 8.310 nan 0.000 0.483 322 Y N 0.734 121.137 120.300 0.172 0.000 2.773 322 Y HA 0.483 5.033 4.550 -0.000 0.000 0.323 322 Y C 1.580 177.531 175.900 0.085 0.000 1.183 322 Y CA -1.225 56.944 58.100 0.116 0.000 1.144 322 Y CB 0.722 39.220 38.460 0.063 0.000 1.340 322 Y HN 0.528 nan 8.280 nan 0.000 0.531 323 K N 0.086 120.633 120.400 0.246 0.000 2.026 323 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 323 K C 0.440 177.108 176.600 0.114 0.000 1.048 323 K CA 2.439 58.811 56.287 0.141 0.000 0.929 323 K CB -0.143 32.426 32.500 0.116 0.000 0.713 323 K HN 0.692 nan 8.250 nan 0.000 0.439 324 D N -0.697 119.762 120.400 0.097 0.000 2.301 324 D HA 0.044 4.684 4.640 -0.000 0.000 0.206 324 D C 0.580 176.943 176.300 0.105 0.000 0.979 324 D CA 0.378 54.420 54.000 0.071 0.000 0.874 324 D CB 0.850 41.658 40.800 0.013 0.000 0.968 324 D HN 0.085 nan 8.370 nan 0.000 0.510 325 S N -1.732 114.051 115.700 0.139 0.000 2.661 325 S HA 0.662 5.132 4.470 -0.000 0.000 0.268 325 S C -0.906 173.922 174.600 0.379 0.000 1.162 325 S CA -0.297 58.048 58.200 0.241 0.000 0.817 325 S CB 1.439 64.805 63.200 0.277 0.000 1.141 325 S HN 0.161 nan 8.310 nan 0.000 0.477 326 G N -0.011 109.074 108.800 0.475 0.000 2.866 326 G HA2 0.740 4.700 3.960 -0.000 0.000 0.289 326 G HA3 0.740 4.700 3.960 -0.000 0.000 0.289 326 G C -2.150 173.102 174.900 0.587 0.000 1.396 326 G CA -0.621 44.783 45.100 0.507 0.000 0.848 326 G HN 0.762 nan 8.290 nan 0.000 0.515 327 L N -0.224 121.303 121.223 0.506 0.000 2.476 327 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 327 L C -1.762 175.438 176.870 0.550 0.000 0.965 327 L CA -0.450 54.678 54.840 0.481 0.000 0.845 327 L CB 2.743 45.058 42.059 0.426 0.000 1.259 327 L HN 0.673 nan 8.230 nan 0.000 0.403 328 W N 4.492 125.952 121.300 0.266 0.000 2.471 328 W HA 0.700 5.359 4.660 -0.000 0.000 0.318 328 W C 0.143 176.631 176.519 -0.052 0.000 1.034 328 W CA 0.222 57.667 57.345 0.167 0.000 1.224 328 W CB 1.771 31.330 29.460 0.165 0.000 1.335 328 W HN 0.581 nan 8.180 nan 0.000 0.452 329 G N 3.701 112.047 108.800 -0.756 0.000 2.435 329 G HA2 0.430 4.390 3.960 -0.000 0.000 0.228 329 G HA3 0.430 4.390 3.960 -0.000 0.000 0.228 329 G C -1.587 172.485 174.900 -1.380 0.000 1.198 329 G CA -0.239 44.363 45.100 -0.830 0.000 0.948 329 G HN 1.013 nan 8.290 nan 0.000 0.487 330 F N -0.861 118.476 119.950 -1.022 0.000 2.713 330 F HA 0.839 5.366 4.527 -0.000 0.000 0.311 330 F C -1.048 174.706 175.800 -0.077 0.000 1.141 330 F CA -0.956 56.574 58.000 -0.784 0.000 0.939 330 F CB 1.743 40.225 39.000 -0.863 0.000 1.325 330 F HN 0.572 nan 8.300 nan 0.000 0.453 331 S N 1.037 116.556 115.700 -0.302 0.000 2.526 331 S HA 0.737 5.207 4.470 -0.000 0.000 0.293 331 S C -1.001 173.373 174.600 -0.377 0.000 1.092 331 S CA -0.670 57.380 58.200 -0.250 0.000 0.980 331 S CB 2.008 65.309 63.200 0.168 0.000 1.048 331 S HN 0.867 nan 8.310 nan 0.000 0.483 332 T N 0.864 115.218 114.554 -0.333 0.000 2.883 332 T HA 0.769 5.119 4.350 -0.000 0.000 0.301 332 T C -1.818 172.866 174.700 -0.027 0.000 1.158 332 T CA -0.429 61.598 62.100 -0.123 0.000 1.007 332 T CB 1.434 70.196 68.868 -0.176 0.000 1.186 332 T HN 0.819 nan 8.240 nan 0.000 0.499 333 A N 1.866 124.676 122.820 -0.018 0.000 2.374 333 A HA 0.808 5.127 4.320 -0.000 0.000 0.305 333 A C -0.355 177.117 177.584 -0.186 0.000 1.053 333 A CA -0.618 51.285 52.037 -0.223 0.000 0.726 333 A CB 1.907 20.802 19.000 -0.174 0.000 1.229 333 A HN 0.873 nan 8.150 nan 0.000 0.431 334 T N 0.525 114.898 114.554 -0.301 0.000 2.932 334 T HA 0.517 4.867 4.350 -0.000 0.000 0.318 334 T C 0.225 174.796 174.700 -0.215 0.000 1.265 334 T CA -0.410 61.587 62.100 -0.171 0.000 1.036 334 T CB 1.364 70.188 68.868 -0.074 0.000 1.209 334 T HN 0.615 nan 8.240 nan 0.000 0.484 335 R N 1.750 122.178 120.500 -0.119 0.000 2.335 335 R HA 0.296 4.636 4.340 -0.000 0.000 0.210 335 R C 0.899 177.166 176.300 -0.054 0.000 0.892 335 R CA 0.002 56.043 56.100 -0.099 0.000 1.048 335 R CB 0.192 30.464 30.300 -0.048 0.000 1.067 335 R HN 0.556 nan 8.270 nan 0.000 0.524 336 N N 1.321 120.001 118.700 -0.033 0.000 3.050 336 N HA -0.015 4.725 4.740 -0.000 0.000 0.289 336 N C 1.148 176.642 175.510 -0.026 0.000 1.209 336 N CA -0.282 52.763 53.050 -0.009 0.000 1.154 336 N CB 0.701 39.202 38.487 0.023 0.000 1.444 336 N HN 0.020 nan 8.380 nan 0.000 0.529 337 V N -0.224 119.666 119.914 -0.039 0.000 3.241 337 V HA -0.107 4.013 4.120 -0.000 0.000 0.269 337 V C 1.784 177.856 176.094 -0.037 0.000 1.151 337 V CA 1.825 64.098 62.300 -0.045 0.000 1.158 337 V CB -0.899 30.895 31.823 -0.047 0.000 0.764 337 V HN 0.616 nan 8.190 nan 0.000 0.508 338 T N -3.678 110.858 114.554 -0.030 0.000 3.069 338 T HA 0.344 4.694 4.350 -0.000 0.000 0.252 338 T C 1.020 175.690 174.700 -0.050 0.000 1.053 338 T CA 0.290 62.367 62.100 -0.037 0.000 0.964 338 T CB -0.060 68.791 68.868 -0.030 0.000 1.005 338 T HN 0.479 nan 8.240 nan 0.000 0.532 339 M N 0.404 119.979 119.600 -0.043 0.000 2.705 339 M HA 0.472 4.952 4.480 -0.000 0.000 0.387 339 M C 0.734 177.005 176.300 -0.049 0.000 1.204 339 M CA -0.142 55.124 55.300 -0.057 0.000 0.905 339 M CB 0.270 32.845 32.600 -0.042 0.000 1.394 339 M HN 0.112 nan 8.290 nan 0.000 0.515 340 I N 1.366 121.907 120.570 -0.048 0.000 2.286 340 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 340 I C 2.283 178.363 176.117 -0.062 0.000 1.115 340 I CA 1.402 62.677 61.300 -0.041 0.000 1.392 340 I CB -0.419 37.558 38.000 -0.039 0.000 1.065 340 I HN 0.479 nan 8.210 nan 0.000 0.418 341 D N 0.770 121.115 120.400 -0.091 0.000 2.178 341 D HA -0.241 4.399 4.640 -0.000 0.000 0.201 341 D C 1.313 177.512 176.300 -0.168 0.000 0.980 341 D CA 1.363 55.287 54.000 -0.127 0.000 0.842 341 D CB -0.499 40.211 40.800 -0.149 0.000 0.948 341 D HN 0.374 nan 8.370 nan 0.000 0.472 342 D N 0.806 121.097 120.400 -0.182 0.000 2.149 342 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 342 D C 2.351 178.558 176.300 -0.154 0.000 0.972 342 D CA 0.047 53.880 54.000 -0.278 0.000 0.835 342 D CB -0.088 40.587 40.800 -0.208 0.000 0.966 342 D HN 0.228 nan 8.370 nan 0.000 0.476 343 L N 0.934 122.141 121.223 -0.026 0.000 1.989 343 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 343 L C 2.254 179.093 176.870 -0.052 0.000 1.071 343 L CA 1.101 55.962 54.840 0.035 0.000 0.749 343 L CB -0.118 41.974 42.059 0.056 0.000 0.890 343 L HN -0.013 nan 8.230 nan 0.000 0.431 344 I N -0.716 119.805 120.570 -0.082 0.000 2.202 344 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 344 I C 2.468 178.412 176.117 -0.288 0.000 1.091 344 I CA 1.498 62.699 61.300 -0.165 0.000 1.368 344 I CB -1.753 36.182 38.000 -0.109 0.000 1.058 344 I HN 0.417 nan 8.210 nan 0.000 0.410 345 H N 1.095 119.961 119.070 -0.340 0.000 2.290 345 H HA -0.211 4.345 4.556 -0.000 0.000 0.298 345 H C 2.044 177.153 175.328 -0.366 0.000 1.087 345 H CA 2.051 57.859 56.048 -0.400 0.000 1.291 345 H CB -0.293 29.163 29.762 -0.509 0.000 1.369 345 H HN 0.105 nan 8.280 nan 0.000 0.492 346 F N 0.198 119.940 119.950 -0.346 0.000 2.186 346 F HA -0.121 4.406 4.527 0.000 0.000 0.299 346 F C 2.715 178.209 175.800 -0.509 0.000 1.090 346 F CA 1.589 59.359 58.000 -0.382 0.000 1.307 346 F CB -0.970 37.908 39.000 -0.202 0.000 1.019 346 F HN 0.210 nan 8.300 nan 0.000 0.489 347 T N 0.230 114.514 114.554 -0.450 0.000 2.701 347 T HA -0.141 4.209 4.350 -0.000 0.000 0.263 347 T C 2.069 176.020 174.700 -1.248 0.000 1.040 347 T CA 1.077 62.643 62.100 -0.890 0.000 1.147 347 T CB -0.586 67.550 68.868 -1.221 0.000 0.865 347 T HN 0.003 nan 8.240 nan 0.000 0.426 348 L N 0.830 121.383 121.223 -1.117 0.000 2.191 348 L HA 0.017 4.357 4.340 -0.000 0.000 0.212 348 L C 2.427 178.980 176.870 -0.528 0.000 1.103 348 L CA 1.427 55.696 54.840 -0.951 0.000 0.769 348 L CB -0.482 41.188 42.059 -0.647 0.000 0.908 348 L HN 0.022 nan 8.230 nan 0.000 0.438 349 K N -0.683 119.424 120.400 -0.488 0.000 2.155 349 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 349 K C 2.055 178.558 176.600 -0.161 0.000 1.052 349 K CA 0.750 56.854 56.287 -0.305 0.000 0.948 349 K CB -0.046 32.244 32.500 -0.349 0.000 0.728 349 K HN 0.358 nan 8.250 nan 0.000 0.448 350 Q N -0.767 118.891 119.800 -0.237 0.000 2.123 350 Q HA -0.120 4.220 4.340 -0.000 0.000 0.199 350 Q C 1.928 177.958 176.000 0.050 0.000 0.966 350 Q CA 0.937 56.682 55.803 -0.097 0.000 0.845 350 Q CB -0.167 28.441 28.738 -0.218 0.000 0.907 350 Q HN 0.355 nan 8.270 nan 0.000 0.439 351 W N 1.619 122.720 121.300 -0.330 0.000 2.363 351 W HA -0.104 4.556 4.660 -0.000 0.000 0.296 351 W C 1.724 178.269 176.519 0.043 0.000 1.212 351 W CA 0.592 57.850 57.345 -0.145 0.000 1.260 351 W CB -1.279 28.093 29.460 -0.145 0.000 1.131 351 W HN 0.360 nan 8.180 nan 0.000 0.530 352 N N 0.060 118.898 118.700 0.229 0.000 2.149 352 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 352 N C 1.749 177.462 175.510 0.339 0.000 1.019 352 N CA 1.304 54.527 53.050 0.289 0.000 0.857 352 N CB -0.417 38.180 38.487 0.183 0.000 0.997 352 N HN 0.142 nan 8.380 nan 0.000 0.426 353 R N 0.847 121.503 120.500 0.260 0.000 2.127 353 R HA -0.066 4.274 4.340 -0.000 0.000 0.238 353 R C 1.981 178.408 176.300 0.212 0.000 1.134 353 R CA 0.764 56.997 56.100 0.222 0.000 0.975 353 R CB -0.384 30.043 30.300 0.211 0.000 0.865 353 R HN 0.321 nan 8.270 nan 0.000 0.447 354 L N -0.102 121.286 121.223 0.276 0.000 2.191 354 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 354 L C 1.895 178.841 176.870 0.126 0.000 1.103 354 L CA 1.215 56.183 54.840 0.213 0.000 0.769 354 L CB -0.394 41.819 42.059 0.257 0.000 0.908 354 L HN 0.228 nan 8.230 nan 0.000 0.438 355 T N -0.373 114.255 114.554 0.124 0.000 3.031 355 T HA 0.049 4.399 4.350 -0.000 0.000 0.254 355 T C 1.701 176.348 174.700 -0.088 0.000 1.060 355 T CA 1.001 63.102 62.100 0.002 0.000 1.135 355 T CB 0.235 69.108 68.868 0.007 0.000 0.896 355 T HN 0.442 nan 8.240 nan 0.000 0.472 356 I N -1.083 119.469 120.570 -0.030 0.000 4.032 356 I HA 0.361 4.531 4.170 -0.000 0.000 0.313 356 I C 1.455 177.569 176.117 -0.004 0.000 1.272 356 I CA 0.112 61.374 61.300 -0.062 0.000 1.307 356 I CB 0.497 38.451 38.000 -0.077 0.000 1.155 356 I HN 0.128 nan 8.210 nan 0.000 0.431 357 S N 0.271 115.995 115.700 0.040 0.000 2.993 357 S HA 0.241 4.711 4.470 -0.000 0.000 0.257 357 S C 0.201 174.828 174.600 0.044 0.000 0.997 357 S CA -0.179 58.044 58.200 0.038 0.000 1.191 357 S CB -0.334 62.895 63.200 0.047 0.000 1.143 357 S HN 0.142 nan 8.310 nan 0.000 0.655 358 V N 4.609 124.556 119.914 0.055 0.000 2.644 358 V HA 0.316 4.436 4.120 -0.000 0.000 0.305 358 V C 0.697 176.800 176.094 0.014 0.000 1.053 358 V CA 1.283 63.608 62.300 0.042 0.000 1.186 358 V CB 0.500 32.347 31.823 0.040 0.000 0.895 358 V HN 0.734 nan 8.190 nan 0.000 0.490 359 T N 1.694 116.250 114.554 0.004 0.000 2.918 359 T HA 0.265 4.615 4.350 -0.000 0.000 0.283 359 T C 0.885 175.575 174.700 -0.017 0.000 1.001 359 T CA 0.191 62.288 62.100 -0.005 0.000 1.041 359 T CB 1.232 70.097 68.868 -0.004 0.000 1.028 359 T HN 0.775 nan 8.240 nan 0.000 0.511 360 D N 0.721 121.111 120.400 -0.016 0.000 2.126 360 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 360 D C 2.118 178.401 176.300 -0.028 0.000 1.001 360 D CA 2.260 56.248 54.000 -0.021 0.000 0.841 360 D CB -0.288 40.502 40.800 -0.017 0.000 0.949 360 D HN 0.774 nan 8.370 nan 0.000 0.446 361 T N -1.078 113.461 114.554 -0.025 0.000 2.803 361 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 361 T C 1.669 176.346 174.700 -0.038 0.000 1.052 361 T CA 1.607 63.690 62.100 -0.028 0.000 1.136 361 T CB -0.309 68.546 68.868 -0.021 0.000 0.864 361 T HN 0.227 nan 8.240 nan 0.000 0.467 362 E N -0.229 119.946 120.200 -0.042 0.000 2.106 362 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 362 E C 2.309 178.859 176.600 -0.083 0.000 0.984 362 E CA 1.102 57.463 56.400 -0.065 0.000 0.806 362 E CB -0.028 29.629 29.700 -0.071 0.000 0.750 362 E HN 0.350 nan 8.360 nan 0.000 0.458 363 V N 1.603 121.476 119.914 -0.068 0.000 2.453 363 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 363 V C 2.050 178.102 176.094 -0.069 0.000 1.048 363 V CA 1.435 63.692 62.300 -0.071 0.000 1.049 363 V CB -0.280 31.511 31.823 -0.054 0.000 0.672 363 V HN 0.180 nan 8.190 nan 0.000 0.457 364 E N 0.035 120.200 120.200 -0.058 0.000 2.152 364 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 364 E C 2.286 178.849 176.600 -0.062 0.000 0.983 364 E CA 0.722 57.088 56.400 -0.057 0.000 0.818 364 E CB -0.265 29.408 29.700 -0.045 0.000 0.758 364 E HN 0.482 nan 8.360 nan 0.000 0.467 365 R N 0.509 120.973 120.500 -0.059 0.000 2.115 365 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 365 R C 2.079 178.340 176.300 -0.066 0.000 1.100 365 R CA 1.043 57.110 56.100 -0.055 0.000 0.980 365 R CB -0.008 30.264 30.300 -0.046 0.000 0.875 365 R HN 0.101 nan 8.270 nan 0.000 0.445 366 A N 1.206 123.978 122.820 -0.080 0.000 1.930 366 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 366 A C 1.944 179.476 177.584 -0.087 0.000 1.175 366 A CA 1.199 53.184 52.037 -0.087 0.000 0.627 366 A CB -0.213 18.721 19.000 -0.110 0.000 0.815 366 A HN 0.271 nan 8.150 nan 0.000 0.443 367 K N 0.003 120.345 120.400 -0.096 0.000 2.009 367 K HA -0.111 4.209 4.320 -0.000 0.000 0.210 367 K C 2.403 178.910 176.600 -0.156 0.000 1.049 367 K CA 1.668 57.881 56.287 -0.123 0.000 0.929 367 K CB -0.262 32.167 32.500 -0.118 0.000 0.714 367 K HN 0.434 nan 8.250 nan 0.000 0.440 368 S N 1.485 117.110 115.700 -0.126 0.000 2.359 368 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 368 S C 1.949 176.481 174.600 -0.113 0.000 1.035 368 S CA 1.252 59.376 58.200 -0.127 0.000 1.018 368 S CB -0.265 62.887 63.200 -0.080 0.000 0.876 368 S HN 0.196 nan 8.310 nan 0.000 0.448 369 L N 0.789 121.967 121.223 -0.076 0.000 2.217 369 L HA 0.053 4.392 4.340 -0.000 0.000 0.211 369 L C 2.315 179.163 176.870 -0.037 0.000 1.107 369 L CA 0.557 55.371 54.840 -0.044 0.000 0.783 369 L CB -0.363 41.683 42.059 -0.022 0.000 0.919 369 L HN 0.288 nan 8.230 nan 0.000 0.442 370 L N -0.016 121.172 121.223 -0.059 0.000 2.027 370 L HA -0.219 4.120 4.340 -0.000 0.000 0.206 370 L C 2.636 179.483 176.870 -0.038 0.000 1.074 370 L CA 1.532 56.356 54.840 -0.026 0.000 0.745 370 L CB -0.142 41.898 42.059 -0.031 0.000 0.898 370 L HN 0.259 nan 8.230 nan 0.000 0.433 371 K N -0.375 119.903 120.400 -0.203 0.000 2.009 371 K HA -0.269 4.051 4.320 -0.000 0.000 0.210 371 K C 1.951 178.521 176.600 -0.050 0.000 1.049 371 K CA 1.643 57.679 56.287 -0.418 0.000 0.929 371 K CB -0.402 31.584 32.500 -0.856 0.000 0.714 371 K HN 0.141 nan 8.250 nan 0.000 0.440 372 L N 2.023 123.223 121.223 -0.038 0.000 2.042 372 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 372 L C 2.541 179.462 176.870 0.085 0.000 1.076 372 L CA 1.876 56.743 54.840 0.044 0.000 0.749 372 L CB -0.565 41.504 42.059 0.016 0.000 0.893 372 L HN 0.271 nan 8.230 nan 0.000 0.432 373 Q N -1.786 118.059 119.800 0.074 0.000 2.123 373 Q HA -0.183 4.156 4.340 -0.000 0.000 0.199 373 Q C 2.048 178.131 176.000 0.139 0.000 0.966 373 Q CA 1.567 57.423 55.803 0.089 0.000 0.845 373 Q CB -0.673 28.109 28.738 0.072 0.000 0.907 373 Q HN 0.393 nan 8.270 nan 0.000 0.439 374 L N 1.263 122.616 121.223 0.216 0.000 2.131 374 L HA 0.006 4.346 4.340 -0.000 0.000 0.210 374 L C 2.350 179.452 176.870 0.386 0.000 1.092 374 L CA 2.066 57.129 54.840 0.372 0.000 0.759 374 L CB -1.148 41.203 42.059 0.486 0.000 0.903 374 L HN 0.500 nan 8.230 nan 0.000 0.435 375 G N -1.622 107.370 108.800 0.321 0.000 2.414 375 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.215 375 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.215 375 G C 1.448 176.445 174.900 0.162 0.000 1.188 375 G CA 0.422 45.677 45.100 0.259 0.000 0.783 375 G HN 0.443 nan 8.290 nan 0.000 0.537 376 Q N -0.427 119.443 119.800 0.117 0.000 2.291 376 Q HA 0.104 4.444 4.340 -0.000 0.000 0.206 376 Q C 2.380 178.399 176.000 0.031 0.000 0.976 376 Q CA 0.374 56.216 55.803 0.065 0.000 0.875 376 Q CB -0.122 28.646 28.738 0.051 0.000 0.927 376 Q HN 0.417 nan 8.270 nan 0.000 0.450 377 L N -0.905 120.328 121.223 0.016 0.000 2.062 377 L HA -0.117 4.223 4.340 -0.000 0.000 0.202 377 L C 1.621 178.385 176.870 -0.176 0.000 1.079 377 L CA 1.364 56.130 54.840 -0.123 0.000 0.755 377 L CB -0.165 41.751 42.059 -0.237 0.000 0.913 377 L HN 0.227 nan 8.230 nan 0.000 0.445 378 Y N 0.773 121.105 120.300 0.053 0.000 2.509 378 Y HA -0.114 4.436 4.550 -0.000 0.000 0.293 378 Y C 1.083 176.985 175.900 0.004 0.000 1.133 378 Y CA 0.532 58.648 58.100 0.027 0.000 1.283 378 Y CB 0.084 38.562 38.460 0.031 0.000 1.001 378 Y HN 0.409 nan 8.280 nan 0.000 0.555 379 E N -0.100 120.176 120.200 0.126 0.000 3.898 379 E HA 0.306 4.656 4.350 -0.000 0.000 0.219 379 E C -0.575 176.047 176.600 0.036 0.000 1.207 379 E CA -0.387 56.053 56.400 0.067 0.000 1.240 379 E CB 0.244 29.974 29.700 0.050 0.000 1.239 379 E HN 0.093 nan 8.360 nan 0.000 0.422 380 S N -0.591 115.122 115.700 0.022 0.000 2.672 380 S HA 0.466 4.935 4.470 -0.000 0.000 0.276 380 S C 1.184 175.785 174.600 0.002 0.000 1.207 380 S CA -0.307 57.898 58.200 0.009 0.000 1.002 380 S CB 1.537 64.737 63.200 -0.001 0.000 0.998 380 S HN 0.361 nan 8.310 nan 0.000 0.542 381 G N 0.267 109.064 108.800 -0.005 0.000 2.848 381 G HA2 0.000 3.960 3.960 -0.000 0.000 0.208 381 G HA3 0.000 3.960 3.960 -0.000 0.000 0.208 381 G C 0.404 175.299 174.900 -0.008 0.000 1.152 381 G CA -0.271 44.822 45.100 -0.013 0.000 0.789 381 G HN 0.674 nan 8.290 nan 0.000 0.531 382 N N 0.644 119.342 118.700 -0.003 0.000 2.414 382 N HA 0.229 4.969 4.740 -0.000 0.000 0.256 382 N C -1.764 173.751 175.510 0.007 0.000 1.029 382 N CA -1.824 51.227 53.050 0.002 0.000 0.948 382 N CB 2.210 40.698 38.487 0.001 0.000 1.102 382 N HN -0.148 nan 8.380 nan 0.000 0.496 383 P HA -0.137 nan 4.420 nan 0.000 0.217 383 P C 1.521 178.831 177.300 0.016 0.000 1.150 383 P CA 0.865 63.975 63.100 0.016 0.000 0.832 383 P CB 0.256 31.971 31.700 0.024 0.000 0.787 384 V N -2.496 117.429 119.914 0.018 0.000 2.515 384 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 384 V C 1.692 177.795 176.094 0.016 0.000 1.058 384 V CA 1.944 64.258 62.300 0.022 0.000 1.064 384 V CB -1.738 30.103 31.823 0.029 0.000 0.675 384 V HN 0.072 nan 8.190 nan 0.000 0.461 385 N N 0.682 119.387 118.700 0.008 0.000 2.142 385 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 385 N C 1.524 177.026 175.510 -0.014 0.000 1.023 385 N CA 1.510 54.557 53.050 -0.004 0.000 0.852 385 N CB -0.224 38.255 38.487 -0.014 0.000 0.998 385 N HN 0.555 nan 8.380 nan 0.000 0.424 386 D N 0.874 121.271 120.400 -0.004 0.000 2.219 386 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 386 D C 1.846 178.141 176.300 -0.007 0.000 0.970 386 D CA 0.468 54.471 54.000 0.004 0.000 0.851 386 D CB -0.077 40.731 40.800 0.013 0.000 0.943 386 D HN 0.269 nan 8.370 nan 0.000 0.488 387 A N 1.347 124.162 122.820 -0.008 0.000 1.873 387 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 387 A C 2.035 179.592 177.584 -0.045 0.000 1.186 387 A CA 1.480 53.507 52.037 -0.017 0.000 0.616 387 A CB -0.751 18.249 19.000 -0.000 0.000 0.823 387 A HN 0.162 nan 8.150 nan 0.000 0.442 388 N N -0.055 118.622 118.700 -0.038 0.000 2.120 388 N HA -0.082 4.657 4.740 -0.000 0.000 0.188 388 N C 1.587 176.957 175.510 -0.233 0.000 1.024 388 N CA 1.477 54.479 53.050 -0.080 0.000 0.852 388 N CB -0.324 38.188 38.487 0.041 0.000 1.003 388 N HN 0.450 nan 8.380 nan 0.000 0.424 389 L N 0.289 121.431 121.223 -0.136 0.000 2.056 389 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 389 L C 2.226 179.044 176.870 -0.087 0.000 1.078 389 L CA 0.715 55.487 54.840 -0.113 0.000 0.749 389 L CB -0.365 41.687 42.059 -0.013 0.000 0.901 389 L HN 0.285 nan 8.230 nan 0.000 0.433 390 L N -0.403 120.782 121.223 -0.063 0.000 1.994 390 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 390 L C 2.500 179.311 176.870 -0.099 0.000 1.071 390 L CA 1.837 56.642 54.840 -0.058 0.000 0.745 390 L CB -0.843 41.189 42.059 -0.044 0.000 0.892 390 L HN 0.324 nan 8.230 nan 0.000 0.431 391 G N -0.847 107.877 108.800 -0.127 0.000 2.480 391 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 391 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 391 G C 1.664 176.454 174.900 -0.183 0.000 1.200 391 G CA 0.880 45.898 45.100 -0.136 0.000 0.782 391 G HN 0.542 nan 8.290 nan 0.000 0.554 392 A N 0.578 123.179 122.820 -0.366 0.000 1.986 392 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 392 A C 2.196 179.646 177.584 -0.224 0.000 1.171 392 A CA 2.137 53.889 52.037 -0.475 0.000 0.640 392 A CB -0.380 17.905 19.000 -1.192 0.000 0.811 392 A HN 0.521 nan 8.150 nan 0.000 0.451 393 E N -0.503 119.593 120.200 -0.172 0.000 2.076 393 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 393 E C 2.117 178.675 176.600 -0.070 0.000 0.979 393 E CA 1.253 57.596 56.400 -0.095 0.000 0.807 393 E CB -0.284 29.380 29.700 -0.060 0.000 0.761 393 E HN 0.631 nan 8.360 nan 0.000 0.454 394 V N -0.414 119.459 119.914 -0.070 0.000 2.626 394 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 394 V C 2.072 178.145 176.094 -0.035 0.000 1.067 394 V CA 1.256 63.525 62.300 -0.051 0.000 1.081 394 V CB -0.649 31.141 31.823 -0.054 0.000 0.686 394 V HN 0.155 nan 8.190 nan 0.000 0.468 395 L N -0.893 120.310 121.223 -0.033 0.000 2.456 395 L HA 0.045 4.384 4.340 -0.000 0.000 0.224 395 L C 2.151 179.028 176.870 0.013 0.000 1.148 395 L CA 1.318 56.158 54.840 0.000 0.000 0.825 395 L CB -0.193 41.878 42.059 0.021 0.000 0.937 395 L HN 0.361 nan 8.230 nan 0.000 0.450 396 I N -1.194 119.373 120.570 -0.005 0.000 3.393 396 I HA -0.091 4.079 4.170 -0.000 0.000 0.250 396 I C 2.055 178.165 176.117 -0.012 0.000 1.122 396 I CA 0.295 61.595 61.300 0.001 0.000 1.484 396 I CB 0.015 38.013 38.000 -0.004 0.000 1.468 396 I HN 0.075 nan 8.210 nan 0.000 0.461 397 K N 1.166 121.548 120.400 -0.030 0.000 2.379 397 K HA 0.316 4.635 4.320 -0.000 0.000 0.194 397 K C 1.305 177.889 176.600 -0.027 0.000 1.031 397 K CA 0.969 57.237 56.287 -0.032 0.000 1.037 397 K CB 0.815 33.285 32.500 -0.050 0.000 0.824 397 K HN 0.388 nan 8.250 nan 0.000 0.516 398 G N 1.246 110.029 108.800 -0.027 0.000 2.194 398 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.236 398 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.236 398 G C -0.031 174.848 174.900 -0.035 0.000 0.987 398 G CA 0.141 45.226 45.100 -0.026 0.000 0.635 398 G HN 0.773 nan 8.290 nan 0.000 0.520 399 S N -1.251 114.423 115.700 -0.043 0.000 2.604 399 S HA 0.525 4.995 4.470 -0.000 0.000 0.296 399 S C -0.730 173.835 174.600 -0.058 0.000 1.097 399 S CA -0.014 58.155 58.200 -0.051 0.000 0.883 399 S CB 1.614 64.786 63.200 -0.047 0.000 1.081 399 S HN 0.917 nan 8.310 nan 0.000 0.448 400 K N 1.351 121.714 120.400 -0.061 0.000 2.436 400 K HA 0.270 4.590 4.320 -0.000 0.000 0.275 400 K C -0.430 176.113 176.600 -0.096 0.000 0.999 400 K CA -0.573 55.673 56.287 -0.068 0.000 0.980 400 K CB 0.275 32.746 32.500 -0.049 0.000 0.919 400 K HN 0.631 nan 8.250 nan 0.000 0.484 401 L N 3.862 125.007 121.223 -0.130 0.000 2.349 401 L HA 0.141 4.481 4.340 -0.000 0.000 0.275 401 L C -0.354 176.387 176.870 -0.216 0.000 1.115 401 L CA 0.493 55.248 54.840 -0.140 0.000 0.820 401 L CB 1.099 43.102 42.059 -0.093 0.000 1.135 401 L HN 0.776 nan 8.230 nan 0.000 0.445 402 S N 4.004 119.602 115.700 -0.169 0.000 2.580 402 S HA 0.213 4.683 4.470 -0.000 0.000 0.274 402 S C 1.130 175.581 174.600 -0.249 0.000 1.329 402 S CA -0.698 57.384 58.200 -0.197 0.000 1.036 402 S CB 0.930 64.042 63.200 -0.147 0.000 0.919 402 S HN 0.598 nan 8.310 nan 0.000 0.515 403 L N 3.287 124.317 121.223 -0.322 0.000 2.083 403 L HA 0.108 4.448 4.340 -0.000 0.000 0.209 403 L C 2.732 179.278 176.870 -0.540 0.000 1.083 403 L CA 2.176 56.739 54.840 -0.460 0.000 0.752 403 L CB -1.643 40.051 42.059 -0.609 0.000 0.899 403 L HN 1.041 nan 8.230 nan 0.000 0.433 404 G N -1.066 107.487 108.800 -0.411 0.000 2.469 404 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 404 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 404 G C 1.538 176.349 174.900 -0.148 0.000 1.150 404 G CA 0.633 45.567 45.100 -0.278 0.000 0.763 404 G HN 0.344 nan 8.290 nan 0.000 0.561 405 E N 0.670 120.787 120.200 -0.138 0.000 2.112 405 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 405 E C 2.928 179.448 176.600 -0.133 0.000 0.979 405 E CA 0.864 57.204 56.400 -0.100 0.000 0.814 405 E CB -0.511 29.141 29.700 -0.080 0.000 0.762 405 E HN 0.359 nan 8.360 nan 0.000 0.460 406 A N 1.002 123.728 122.820 -0.157 0.000 1.877 406 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 406 A C 1.966 179.437 177.584 -0.189 0.000 1.186 406 A CA 1.111 52.962 52.037 -0.309 0.000 0.620 406 A CB -0.751 18.199 19.000 -0.084 0.000 0.822 406 A HN 0.129 nan 8.150 nan 0.000 0.443 407 F N 0.254 120.054 119.950 -0.251 0.000 2.216 407 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 407 F C 2.208 177.902 175.800 -0.177 0.000 1.085 407 F CA 1.339 59.230 58.000 -0.181 0.000 1.326 407 F CB -0.520 38.417 39.000 -0.105 0.000 1.027 407 F HN 0.280 nan 8.300 nan 0.000 0.497 408 K N 0.586 121.000 120.400 0.024 0.000 2.103 408 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 408 K C 1.997 178.545 176.600 -0.086 0.000 1.052 408 K CA 1.072 57.341 56.287 -0.029 0.000 0.945 408 K CB 0.029 32.511 32.500 -0.031 0.000 0.722 408 K HN 0.153 nan 8.250 nan 0.000 0.443 409 K N 0.425 120.724 120.400 -0.169 0.000 2.097 409 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 409 K C 2.104 178.595 176.600 -0.182 0.000 1.050 409 K CA 1.162 57.338 56.287 -0.184 0.000 0.938 409 K CB -0.051 32.274 32.500 -0.291 0.000 0.718 409 K HN 0.181 nan 8.250 nan 0.000 0.442 410 I N 1.500 121.914 120.570 -0.261 0.000 2.252 410 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 410 I C 1.522 177.565 176.117 -0.124 0.000 1.102 410 I CA 1.174 62.362 61.300 -0.187 0.000 1.385 410 I CB -0.216 37.646 38.000 -0.229 0.000 1.064 410 I HN 0.091 nan 8.210 nan 0.000 0.414 411 D N 0.917 121.249 120.400 -0.112 0.000 2.310 411 D HA -0.074 4.566 4.640 -0.000 0.000 0.212 411 D C 1.988 178.254 176.300 -0.057 0.000 0.965 411 D CA 1.054 55.005 54.000 -0.080 0.000 0.879 411 D CB 0.078 40.842 40.800 -0.059 0.000 0.921 411 D HN 0.341 nan 8.370 nan 0.000 0.510 412 A N 0.094 122.882 122.820 -0.053 0.000 2.178 412 A HA 0.115 4.435 4.320 -0.000 0.000 0.211 412 A C 1.131 178.699 177.584 -0.025 0.000 1.157 412 A CA -0.235 51.782 52.037 -0.033 0.000 0.780 412 A CB -0.150 18.834 19.000 -0.026 0.000 0.828 412 A HN 0.119 nan 8.150 nan 0.000 0.476 413 I N 2.451 123.001 120.570 -0.033 0.000 2.668 413 I HA 0.057 4.227 4.170 -0.000 0.000 0.285 413 I C 0.974 177.076 176.117 -0.025 0.000 1.168 413 I CA 0.143 61.428 61.300 -0.025 0.000 1.424 413 I CB 0.736 38.715 38.000 -0.035 0.000 1.377 413 I HN 0.339 nan 8.210 nan 0.000 0.560 414 T N 2.114 116.660 114.554 -0.014 0.000 2.948 414 T HA 0.330 4.679 4.350 -0.000 0.000 0.285 414 T C 1.092 175.787 174.700 -0.009 0.000 1.019 414 T CA -0.912 61.180 62.100 -0.013 0.000 1.013 414 T CB 1.845 70.709 68.868 -0.006 0.000 1.117 414 T HN 0.221 nan 8.240 nan 0.000 0.533 415 V N 1.344 121.252 119.914 -0.010 0.000 2.332 415 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 415 V C 2.781 178.878 176.094 0.005 0.000 1.055 415 V CA 1.783 64.080 62.300 -0.005 0.000 1.038 415 V CB -0.820 30.999 31.823 -0.008 0.000 0.651 415 V HN 0.868 nan 8.190 nan 0.000 0.450 416 K N -0.367 120.035 120.400 0.004 0.000 2.097 416 K HA -0.193 4.126 4.320 -0.000 0.000 0.206 416 K C 1.895 178.511 176.600 0.026 0.000 1.049 416 K CA 1.620 57.911 56.287 0.008 0.000 0.933 416 K CB -0.352 32.149 32.500 0.003 0.000 0.717 416 K HN 0.499 nan 8.250 nan 0.000 0.442 417 D N 0.659 121.076 120.400 0.029 0.000 2.104 417 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 417 D C 2.055 178.409 176.300 0.091 0.000 0.994 417 D CA 1.058 55.089 54.000 0.051 0.000 0.830 417 D CB -0.297 40.521 40.800 0.029 0.000 0.959 417 D HN -0.052 nan 8.370 nan 0.000 0.452 418 V N 1.320 121.273 119.914 0.065 0.000 2.295 418 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 418 V C 2.387 178.578 176.094 0.161 0.000 1.049 418 V CA 1.617 63.982 62.300 0.108 0.000 1.024 418 V CB -0.403 31.445 31.823 0.042 0.000 0.648 418 V HN 0.164 nan 8.190 nan 0.000 0.447 419 K N 0.333 120.781 120.400 0.079 0.000 2.057 419 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 419 K C 2.337 178.948 176.600 0.019 0.000 1.049 419 K CA 1.512 57.821 56.287 0.037 0.000 0.931 419 K CB -0.472 32.024 32.500 -0.006 0.000 0.714 419 K HN 0.468 nan 8.250 nan 0.000 0.440 420 A N 0.728 123.571 122.820 0.039 0.000 1.933 420 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 420 A C 1.937 179.541 177.584 0.033 0.000 1.175 420 A CA 1.392 53.442 52.037 0.022 0.000 0.628 420 A CB -0.836 18.189 19.000 0.041 0.000 0.814 420 A HN 0.623 nan 8.150 nan 0.000 0.444 421 W N 0.549 121.808 121.300 -0.068 0.000 2.379 421 W HA -0.021 4.639 4.660 0.000 0.000 0.307 421 W C 2.375 178.817 176.519 -0.129 0.000 1.200 421 W CA 1.962 59.253 57.345 -0.090 0.000 1.297 421 W CB -0.230 29.172 29.460 -0.097 0.000 1.140 421 W HN 0.316 nan 8.180 nan 0.000 0.507 422 A N 0.659 123.365 122.820 -0.191 0.000 1.972 422 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 422 A C 2.188 179.585 177.584 -0.311 0.000 1.169 422 A CA 1.765 53.549 52.037 -0.422 0.000 0.635 422 A CB -1.674 17.289 19.000 -0.061 0.000 0.810 422 A HN 0.442 nan 8.150 nan 0.000 0.446 423 G N -1.132 107.555 108.800 -0.188 0.000 2.470 423 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 423 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 423 G C 1.545 176.361 174.900 -0.140 0.000 1.121 423 G CA 1.339 46.357 45.100 -0.137 0.000 0.766 423 G HN 0.464 nan 8.290 nan 0.000 0.553 424 K N -1.053 119.189 120.400 -0.264 0.000 2.350 424 K HA 0.326 4.646 4.320 -0.000 0.000 0.196 424 K C 2.226 178.625 176.600 -0.335 0.000 1.084 424 K CA 0.153 56.294 56.287 -0.242 0.000 0.967 424 K CB 0.298 32.682 32.500 -0.193 0.000 0.950 424 K HN -0.029 nan 8.250 nan 0.000 0.512 425 R N -0.693 119.433 120.500 -0.623 0.000 2.282 425 R HA 0.288 4.628 4.340 -0.000 0.000 0.195 425 R C 1.082 177.055 176.300 -0.545 0.000 0.909 425 R CA 0.420 56.130 56.100 -0.650 0.000 1.039 425 R CB 0.229 29.906 30.300 -1.039 0.000 1.015 425 R HN 0.028 nan 8.270 nan 0.000 0.513 426 L N -1.761 119.154 121.223 -0.513 0.000 2.541 426 L HA 0.240 4.580 4.340 -0.000 0.000 0.187 426 L C -0.048 176.773 176.870 -0.081 0.000 1.098 426 L CA 0.427 55.082 54.840 -0.307 0.000 0.846 426 L CB -0.594 41.230 42.059 -0.392 0.000 1.151 426 L HN 0.180 nan 8.230 nan 0.000 0.492 427 W N 3.058 124.243 121.300 -0.191 0.000 2.715 427 W HA -0.045 4.615 4.660 0.000 0.000 0.351 427 W C 0.352 176.823 176.519 -0.080 0.000 1.406 427 W CA 1.068 58.349 57.345 -0.107 0.000 1.354 427 W CB -0.074 29.327 29.460 -0.099 0.000 1.453 427 W HN 0.498 nan 8.180 nan 0.000 0.572 428 D N 2.951 123.116 120.400 -0.393 0.000 2.699 428 D HA -0.215 4.425 4.640 -0.000 0.000 0.239 428 D C -0.572 175.680 176.300 -0.080 0.000 1.136 428 D CA 1.038 54.882 54.000 -0.260 0.000 0.668 428 D CB -0.683 39.989 40.800 -0.213 0.000 1.060 428 D HN 0.354 nan 8.370 nan 0.000 0.429 429 Q N 0.420 120.180 119.800 -0.067 0.000 2.348 429 Q HA 0.374 4.714 4.340 -0.000 0.000 0.271 429 Q C -0.186 175.840 176.000 0.044 0.000 1.067 429 Q CA -0.679 55.113 55.803 -0.018 0.000 0.839 429 Q CB 1.305 30.001 28.738 -0.070 0.000 1.354 429 Q HN 0.219 nan 8.270 nan 0.000 0.447 430 D N 1.514 121.989 120.400 0.125 0.000 2.419 430 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 430 D C 0.160 176.674 176.300 0.356 0.000 1.165 430 D CA 0.418 54.581 54.000 0.272 0.000 0.882 430 D CB 0.486 41.495 40.800 0.348 0.000 1.201 430 D HN 0.400 nan 8.370 nan 0.000 0.443 431 I N -2.310 118.512 120.570 0.419 0.000 2.892 431 I HA 0.776 4.946 4.170 -0.000 0.000 0.306 431 I C -0.997 175.402 176.117 0.470 0.000 1.078 431 I CA -1.348 60.203 61.300 0.418 0.000 1.032 431 I CB 2.275 40.382 38.000 0.179 0.000 1.229 431 I HN 0.249 nan 8.210 nan 0.000 0.435 432 A N 5.517 128.591 122.820 0.423 0.000 2.331 432 A HA 0.883 5.203 4.320 -0.000 0.000 0.320 432 A C -0.732 176.986 177.584 0.224 0.000 1.138 432 A CA -0.617 51.546 52.037 0.211 0.000 0.790 432 A CB 0.897 19.918 19.000 0.035 0.000 1.206 432 A HN 0.700 nan 8.150 nan 0.000 0.470 433 I N 1.004 121.688 120.570 0.190 0.000 2.689 433 I HA 0.782 4.952 4.170 -0.000 0.000 0.299 433 I C 0.118 176.315 176.117 0.132 0.000 1.059 433 I CA -0.758 60.643 61.300 0.168 0.000 1.055 433 I CB 2.359 40.455 38.000 0.159 0.000 1.243 433 I HN 0.755 nan 8.210 nan 0.000 0.425 434 A N 3.042 125.938 122.820 0.126 0.000 2.574 434 A HA 0.951 5.271 4.320 -0.000 0.000 0.297 434 A C -0.768 176.873 177.584 0.094 0.000 1.062 434 A CA -0.427 51.676 52.037 0.109 0.000 0.686 434 A CB 2.000 21.088 19.000 0.147 0.000 1.285 434 A HN 1.001 nan 8.150 nan 0.000 0.403 435 G N -0.563 108.275 108.800 0.063 0.000 2.667 435 G HA2 0.701 4.660 3.960 -0.000 0.000 0.294 435 G HA3 0.701 4.660 3.960 -0.000 0.000 0.294 435 G C -1.021 173.907 174.900 0.047 0.000 1.467 435 G CA 0.384 45.529 45.100 0.074 0.000 0.852 435 G HN 1.250 nan 8.290 nan 0.000 0.521 436 T N -1.307 113.307 114.554 0.100 0.000 2.841 436 T HA 0.868 5.218 4.350 -0.000 0.000 0.296 436 T C 0.654 175.455 174.700 0.167 0.000 1.166 436 T CA 1.347 63.490 62.100 0.072 0.000 1.007 436 T CB 1.228 70.100 68.868 0.005 0.000 1.253 436 T HN 2.672 nan 8.240 nan 0.000 0.511 437 G N 1.596 110.459 108.800 0.106 0.000 2.499 437 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.232 437 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.232 437 G C -0.465 174.466 174.900 0.052 0.000 1.251 437 G CA -0.052 45.127 45.100 0.132 0.000 0.917 437 G HN 0.871 nan 8.290 nan 0.000 0.580 438 Q N 1.086 120.895 119.800 0.016 0.000 3.004 438 Q HA 0.351 4.691 4.340 -0.000 0.000 0.256 438 Q C 1.438 177.427 176.000 -0.019 0.000 1.387 438 Q CA 0.314 56.109 55.803 -0.013 0.000 0.962 438 Q CB -0.446 28.271 28.738 -0.036 0.000 1.676 438 Q HN 0.623 nan 8.270 nan 0.000 0.568 439 I N -2.553 118.016 120.570 -0.002 0.000 3.858 439 I HA 0.100 4.270 4.170 -0.000 0.000 0.325 439 I C 1.423 177.535 176.117 -0.009 0.000 1.403 439 I CA -0.034 61.264 61.300 -0.003 0.000 1.169 439 I CB -0.039 37.969 38.000 0.014 0.000 1.077 439 I HN 0.341 nan 8.210 nan 0.000 0.403 440 E N 2.520 122.712 120.200 -0.013 0.000 2.118 440 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 440 E C 2.179 178.766 176.600 -0.022 0.000 0.992 440 E CA 1.433 57.824 56.400 -0.015 0.000 0.804 440 E CB -0.080 29.611 29.700 -0.016 0.000 0.741 440 E HN 0.674 nan 8.360 nan 0.000 0.458 441 G N 0.814 109.597 108.800 -0.028 0.000 2.679 441 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.212 441 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.212 441 G C 0.475 175.352 174.900 -0.039 0.000 1.137 441 G CA -0.220 44.858 45.100 -0.037 0.000 0.787 441 G HN 0.178 nan 8.290 nan 0.000 0.534 442 L N 1.890 123.097 121.223 -0.027 0.000 2.325 442 L HA 0.427 4.766 4.340 -0.000 0.000 0.284 442 L C -0.028 176.828 176.870 -0.023 0.000 1.089 442 L CA -0.931 53.895 54.840 -0.023 0.000 0.836 442 L CB 0.403 42.458 42.059 -0.006 0.000 1.184 442 L HN -0.175 nan 8.230 nan 0.000 0.444 443 L N 4.050 125.250 121.223 -0.038 0.000 2.468 443 L HA 0.135 4.475 4.340 -0.000 0.000 0.253 443 L C 0.789 177.649 176.870 -0.017 0.000 1.237 443 L CA 0.080 54.898 54.840 -0.037 0.000 0.823 443 L CB -0.160 41.863 42.059 -0.060 0.000 1.124 443 L HN 0.757 nan 8.230 nan 0.000 0.504 444 D N -0.740 119.657 120.400 -0.005 0.000 2.364 444 D HA -0.180 4.460 4.640 -0.000 0.000 0.236 444 D C 0.983 177.310 176.300 0.045 0.000 1.221 444 D CA -0.149 53.871 54.000 0.034 0.000 0.891 444 D CB 0.441 41.262 40.800 0.034 0.000 1.190 444 D HN 0.523 nan 8.370 nan 0.000 0.449 445 Y N 0.460 120.753 120.300 -0.012 0.000 2.053 445 Y HA -0.286 4.264 4.550 0.000 0.000 0.277 445 Y C 2.634 178.526 175.900 -0.013 0.000 1.159 445 Y CA 1.919 60.016 58.100 -0.006 0.000 1.125 445 Y CB -0.109 38.350 38.460 -0.002 0.000 0.969 445 Y HN 0.200 nan 8.280 nan 0.000 0.492 446 M N 0.033 119.718 119.600 0.142 0.000 2.106 446 M HA -0.267 4.213 4.480 -0.000 0.000 0.259 446 M C 2.139 178.399 176.300 -0.067 0.000 1.068 446 M CA 1.619 56.948 55.300 0.048 0.000 1.100 446 M CB -1.165 31.480 32.600 0.075 0.000 1.351 446 M HN 0.255 nan 8.290 nan 0.000 0.404 447 R N 0.172 120.632 120.500 -0.066 0.000 2.096 447 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 447 R C 2.048 178.268 176.300 -0.133 0.000 1.127 447 R CA 1.144 57.190 56.100 -0.090 0.000 0.968 447 R CB -0.640 29.613 30.300 -0.078 0.000 0.861 447 R HN 0.367 nan 8.270 nan 0.000 0.440 448 I N 0.135 120.596 120.570 -0.181 0.000 2.233 448 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 448 I C 2.389 178.345 176.117 -0.269 0.000 1.093 448 I CA 0.867 62.033 61.300 -0.224 0.000 1.380 448 I CB -0.938 36.910 38.000 -0.253 0.000 1.067 448 I HN 0.032 nan 8.210 nan 0.000 0.413 449 R N 1.660 121.942 120.500 -0.363 0.000 2.096 449 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 449 R C 2.294 178.482 176.300 -0.188 0.000 1.127 449 R CA 1.849 57.767 56.100 -0.303 0.000 0.968 449 R CB -0.701 29.416 30.300 -0.305 0.000 0.861 449 R HN 0.203 nan 8.270 nan 0.000 0.440 450 S N 0.770 116.375 115.700 -0.158 0.000 2.370 450 S HA -0.120 4.350 4.470 -0.000 0.000 0.226 450 S C 1.053 175.544 174.600 -0.181 0.000 1.033 450 S CA 1.522 59.637 58.200 -0.141 0.000 1.011 450 S CB -0.389 62.749 63.200 -0.105 0.000 0.852 450 S HN 0.403 nan 8.310 nan 0.000 0.457 451 D N 0.882 121.173 120.400 -0.181 0.000 2.390 451 D HA 0.033 4.673 4.640 -0.000 0.000 0.235 451 D C 1.033 177.172 176.300 -0.269 0.000 1.040 451 D CA 0.380 54.255 54.000 -0.208 0.000 0.923 451 D CB -0.099 40.582 40.800 -0.197 0.000 0.886 451 D HN 0.275 nan 8.370 nan 0.000 0.532 452 M N -0.303 119.131 119.600 -0.277 0.000 2.618 452 M HA 0.045 4.525 4.480 -0.000 0.000 0.240 452 M C 0.661 176.603 176.300 -0.596 0.000 1.123 452 M CA 0.294 55.417 55.300 -0.296 0.000 1.060 452 M CB -0.580 31.900 32.600 -0.201 0.000 1.535 452 M HN -0.075 nan 8.290 nan 0.000 0.507 453 S N -0.818 114.455 115.700 -0.712 0.000 2.671 453 S HA 0.826 5.296 4.470 -0.000 0.000 0.277 453 S C -0.623 173.580 174.600 -0.663 0.000 1.165 453 S CA -1.018 56.402 58.200 -1.299 0.000 0.822 453 S CB 2.516 64.938 63.200 -1.297 0.000 1.150 453 S HN 0.178 nan 8.310 nan 0.000 0.479 454 M N 1.123 120.453 119.600 -0.450 0.000 2.690 454 M HA 0.526 5.006 4.480 -0.000 0.000 0.302 454 M C -0.692 175.676 176.300 0.114 0.000 1.234 454 M CA -0.896 54.394 55.300 -0.016 0.000 0.853 454 M CB 1.963 34.672 32.600 0.180 0.000 1.748 454 M HN 0.506 nan 8.290 nan 0.000 0.469 455 M N 2.197 121.852 119.600 0.091 0.000 2.242 455 M HA 0.475 4.955 4.480 -0.000 0.000 0.344 455 M C -0.208 176.181 176.300 0.148 0.000 1.140 455 M CA 0.249 55.608 55.300 0.100 0.000 1.160 455 M CB 0.506 33.147 32.600 0.068 0.000 1.491 455 M HN 0.708 nan 8.290 nan 0.000 0.459 456 R N 0.989 121.575 120.500 0.142 0.000 2.716 456 R HA 0.416 4.755 4.340 -0.000 0.000 0.271 456 R C -1.417 174.985 176.300 0.170 0.000 1.028 456 R CA -0.866 55.336 56.100 0.170 0.000 0.883 456 R CB 1.379 31.778 30.300 0.164 0.000 1.250 456 R HN 0.749 nan 8.270 nan 0.000 0.465 457 W N 0.000 121.320 121.300 0.034 0.000 2.388 457 W HA 0.000 4.660 4.660 0.001 0.000 0.303 457 W CA 0.000 57.359 57.345 0.023 0.000 1.226 457 W CB 0.000 29.469 29.460 0.016 0.000 1.126 457 W HN 0.000 nan 8.180 nan 0.000 0.535