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 3dfs_1_C DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AASESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVEPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTPSGQAXX DATA SEQUENCE XXXXXXXXSN HAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.107 177.300 -0.322 0.000 1.155 1 P CA 0.000 63.007 63.100 -0.156 0.000 0.800 1 P CB 0.000 31.573 31.700 -0.211 0.000 0.726 2 H N 0.561 119.643 119.070 0.020 0.000 2.495 2 H HA 0.498 5.054 4.556 -0.000 0.000 0.348 2 H C -0.463 174.792 175.328 -0.123 0.000 1.113 2 H CA -0.389 55.626 56.048 -0.056 0.000 1.195 2 H CB 2.633 32.375 29.762 -0.032 0.000 1.521 2 H HN -0.021 nan 8.280 nan 0.000 0.509 3 S N 1.721 117.344 115.700 -0.129 0.000 2.525 3 S HA 0.231 4.700 4.470 -0.000 0.000 0.278 3 S C -0.634 173.711 174.600 -0.425 0.000 1.234 3 S CA -0.484 57.602 58.200 -0.190 0.000 1.058 3 S CB -0.033 63.093 63.200 -0.124 0.000 0.983 3 S HN 0.635 nan 8.310 nan 0.000 0.495 4 H N 2.896 121.905 119.070 -0.101 0.000 2.429 4 H HA 0.339 4.895 4.556 0.001 0.000 0.231 4 H C -2.445 172.826 175.328 -0.096 0.000 1.416 4 H CA -1.221 54.780 56.048 -0.079 0.000 1.443 4 H CB -0.035 29.685 29.762 -0.070 0.000 1.591 4 H HN 0.522 nan 8.280 nan 0.000 0.507 5 P HA -0.166 nan 4.420 nan 0.000 0.251 5 P C 0.648 177.940 177.300 -0.015 0.000 1.116 5 P CA 0.474 63.554 63.100 -0.034 0.000 0.776 5 P CB 0.597 32.273 31.700 -0.040 0.000 0.701 6 A N 4.035 126.847 122.820 -0.013 0.000 2.016 6 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 6 A C 0.744 178.319 177.584 -0.014 0.000 1.162 6 A CA 1.017 53.060 52.037 0.010 0.000 0.662 6 A CB -0.113 18.920 19.000 0.055 0.000 0.812 6 A HN 0.506 nan 8.150 nan 0.000 0.450 7 L N -0.430 120.764 121.223 -0.049 0.000 2.388 7 L HA 0.413 4.753 4.340 -0.000 0.000 0.264 7 L C 0.196 177.005 176.870 -0.103 0.000 0.998 7 L CA -0.835 53.952 54.840 -0.088 0.000 0.817 7 L CB 2.362 44.326 42.059 -0.158 0.000 1.338 7 L HN 0.219 nan 8.230 nan 0.000 0.414 8 T N -2.412 112.087 114.554 -0.091 0.000 2.847 8 T HA 0.348 4.697 4.350 -0.000 0.000 0.279 8 T C -2.119 172.515 174.700 -0.109 0.000 0.984 8 T CA -1.746 60.306 62.100 -0.080 0.000 0.988 8 T CB 1.545 70.381 68.868 -0.053 0.000 1.040 8 T HN 0.296 nan 8.240 nan 0.000 0.528 9 P HA -0.050 nan 4.420 nan 0.000 0.216 9 P C 1.246 178.499 177.300 -0.077 0.000 1.150 9 P CA 0.955 64.001 63.100 -0.089 0.000 0.837 9 P CB 0.060 31.727 31.700 -0.054 0.000 0.786 10 E N -0.427 119.740 120.200 -0.055 0.000 2.077 10 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 10 E C 2.154 178.729 176.600 -0.041 0.000 0.989 10 E CA 1.264 57.641 56.400 -0.038 0.000 0.800 10 E CB -0.868 28.816 29.700 -0.026 0.000 0.746 10 E HN 0.376 nan 8.360 nan 0.000 0.452 11 Q N 0.321 120.085 119.800 -0.059 0.000 2.084 11 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 11 Q C 2.051 178.000 176.000 -0.085 0.000 0.978 11 Q CA 1.257 57.026 55.803 -0.057 0.000 0.844 11 Q CB -0.099 28.601 28.738 -0.064 0.000 0.898 11 Q HN 0.184 nan 8.270 nan 0.000 0.426 12 K N 0.837 121.119 120.400 -0.197 0.000 2.057 12 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 12 K C 2.090 178.680 176.600 -0.016 0.000 1.049 12 K CA 1.174 57.247 56.287 -0.357 0.000 0.931 12 K CB -0.108 31.998 32.500 -0.657 0.000 0.714 12 K HN 0.044 nan 8.250 nan 0.000 0.440 13 K N 1.659 122.053 120.400 -0.010 0.000 2.063 13 K HA -0.244 4.075 4.320 -0.000 0.000 0.208 13 K C 2.110 178.748 176.600 0.063 0.000 1.048 13 K CA 1.791 58.103 56.287 0.042 0.000 0.928 13 K CB 0.012 32.517 32.500 0.009 0.000 0.713 13 K HN 0.157 nan 8.250 nan 0.000 0.442 14 E N 0.583 120.810 120.200 0.045 0.000 2.051 14 E HA -0.201 4.148 4.350 -0.000 0.000 0.192 14 E C 2.083 178.738 176.600 0.090 0.000 0.991 14 E CA 1.202 57.635 56.400 0.054 0.000 0.799 14 E CB -0.077 29.645 29.700 0.037 0.000 0.748 14 E HN 0.363 nan 8.360 nan 0.000 0.449 15 L N 0.374 121.671 121.223 0.124 0.000 2.056 15 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 15 L C 2.834 179.820 176.870 0.194 0.000 1.078 15 L CA 1.187 56.128 54.840 0.168 0.000 0.749 15 L CB -0.488 41.714 42.059 0.238 0.000 0.901 15 L HN 0.174 nan 8.230 nan 0.000 0.433 16 S N -0.271 115.589 115.700 0.267 0.000 2.356 16 S HA -0.205 4.265 4.470 -0.000 0.000 0.223 16 S C 1.666 176.424 174.600 0.263 0.000 1.032 16 S CA 1.626 59.987 58.200 0.268 0.000 1.005 16 S CB -0.224 63.144 63.200 0.279 0.000 0.867 16 S HN 0.392 nan 8.310 nan 0.000 0.449 17 D N 1.203 121.687 120.400 0.140 0.000 2.117 17 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 17 D C 1.898 178.259 176.300 0.101 0.000 0.987 17 D CA 1.115 55.167 54.000 0.087 0.000 0.829 17 D CB -0.400 40.424 40.800 0.040 0.000 0.961 17 D HN 0.468 nan 8.370 nan 0.000 0.460 18 I N 1.164 121.788 120.570 0.090 0.000 2.179 18 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 18 I C 2.519 178.645 176.117 0.015 0.000 1.088 18 I CA 1.067 62.403 61.300 0.061 0.000 1.357 18 I CB -0.262 37.786 38.000 0.079 0.000 1.051 18 I HN -0.076 nan 8.210 nan 0.000 0.409 19 A N 0.234 123.064 122.820 0.016 0.000 1.908 19 A HA -0.279 4.040 4.320 -0.000 0.000 0.218 19 A C 2.064 179.568 177.584 -0.133 0.000 1.181 19 A CA 1.995 53.977 52.037 -0.093 0.000 0.627 19 A CB -1.073 17.863 19.000 -0.106 0.000 0.818 19 A HN 0.450 nan 8.150 nan 0.000 0.445 20 H N -0.868 118.162 119.070 -0.066 0.000 2.389 20 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 20 H C 2.339 177.623 175.328 -0.072 0.000 1.081 20 H CA 1.587 57.597 56.048 -0.062 0.000 1.345 20 H CB -0.040 29.700 29.762 -0.036 0.000 1.393 20 H HN 0.402 nan 8.280 nan 0.000 0.520 21 R N 0.099 120.631 120.500 0.054 0.000 2.081 21 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 21 R C 2.171 178.430 176.300 -0.068 0.000 1.131 21 R CA 1.493 57.593 56.100 -0.000 0.000 0.960 21 R CB -0.301 30.002 30.300 0.006 0.000 0.856 21 R HN 0.341 nan 8.270 nan 0.000 0.436 22 I N 0.685 121.175 120.570 -0.133 0.000 2.226 22 I HA -0.195 3.974 4.170 -0.000 0.000 0.245 22 I C 1.744 177.715 176.117 -0.244 0.000 1.100 22 I CA 1.175 62.332 61.300 -0.238 0.000 1.374 22 I CB -0.066 37.684 38.000 -0.417 0.000 1.057 22 I HN 0.049 nan 8.210 nan 0.000 0.413 23 V N -1.484 118.301 119.914 -0.215 0.000 3.099 23 V HA 0.546 4.666 4.120 -0.000 0.000 0.356 23 V C 0.840 176.857 176.094 -0.127 0.000 1.364 23 V CA -0.776 61.399 62.300 -0.209 0.000 1.229 23 V CB -1.054 30.632 31.823 -0.228 0.000 1.227 23 V HN 0.163 nan 8.190 nan 0.000 0.493 24 A N 1.483 124.251 122.820 -0.086 0.000 2.507 24 A HA 0.459 4.779 4.320 -0.000 0.000 0.235 24 A C -1.944 175.617 177.584 -0.038 0.000 1.070 24 A CA -0.711 51.305 52.037 -0.036 0.000 0.768 24 A CB -0.676 18.312 19.000 -0.020 0.000 1.011 24 A HN 0.498 nan 8.150 nan 0.000 0.502 25 P HA 0.131 nan 4.420 nan 0.000 0.257 25 P C 1.022 178.322 177.300 -0.001 0.000 1.162 25 P CA 2.246 65.344 63.100 -0.004 0.000 0.762 25 P CB 0.216 31.920 31.700 0.006 0.000 0.753 26 G N 2.124 110.930 108.800 0.010 0.000 2.179 26 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 26 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 26 G C 0.018 174.938 174.900 0.032 0.000 0.977 26 G CA -0.101 45.019 45.100 0.032 0.000 0.641 26 G HN 0.537 nan 8.290 nan 0.000 0.533 27 K N 0.075 120.453 120.400 -0.036 0.000 2.156 27 K HA 0.686 5.005 4.320 -0.000 0.000 0.250 27 K C 0.482 176.873 176.600 -0.349 0.000 0.955 27 K CA -0.222 56.002 56.287 -0.105 0.000 0.855 27 K CB 2.115 34.549 32.500 -0.109 0.000 1.101 27 K HN 0.359 nan 8.250 nan 0.000 0.434 28 G N 1.033 109.449 108.800 -0.640 0.000 2.975 28 G HA2 0.643 4.603 3.960 -0.000 0.000 0.291 28 G HA3 0.643 4.603 3.960 -0.000 0.000 0.291 28 G C -1.240 173.124 174.900 -0.894 0.000 1.334 28 G CA -0.797 43.373 45.100 -1.551 0.000 0.843 28 G HN 0.443 nan 8.290 nan 0.000 0.548 29 I N 0.406 120.486 120.570 -0.816 0.000 2.474 29 I HA 0.336 4.505 4.170 -0.000 0.000 0.294 29 I C -0.914 175.256 176.117 0.089 0.000 1.005 29 I CA -0.783 60.386 61.300 -0.218 0.000 1.113 29 I CB 2.132 40.035 38.000 -0.162 0.000 1.289 29 I HN 0.295 nan 8.210 nan 0.000 0.436 30 L N 6.844 128.162 121.223 0.157 0.000 2.260 30 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 30 L C 0.155 177.105 176.870 0.132 0.000 1.057 30 L CA -0.018 54.943 54.840 0.202 0.000 0.811 30 L CB 0.841 42.994 42.059 0.157 0.000 1.184 30 L HN 0.672 nan 8.230 nan 0.000 0.429 31 A N 5.070 127.980 122.820 0.151 0.000 2.650 31 A HA 0.687 5.007 4.320 -0.000 0.000 0.320 31 A C 0.595 178.213 177.584 0.058 0.000 1.466 31 A CA 0.125 52.230 52.037 0.113 0.000 1.099 31 A CB -0.160 18.927 19.000 0.146 0.000 1.136 31 A HN 1.084 nan 8.150 nan 0.000 0.532 32 A N 2.080 124.902 122.820 0.005 0.000 2.701 32 A HA 0.420 4.740 4.320 -0.000 0.000 0.297 32 A C 1.088 178.666 177.584 -0.010 0.000 1.197 32 A CA 0.395 52.408 52.037 -0.041 0.000 0.963 32 A CB -0.470 18.437 19.000 -0.155 0.000 1.175 32 A HN 1.191 nan 8.150 nan 0.000 0.531 33 S N -0.411 115.304 115.700 0.026 0.000 2.618 33 S HA 0.206 4.675 4.470 -0.000 0.000 0.242 33 S C -0.197 174.420 174.600 0.028 0.000 0.972 33 S CA -0.444 57.803 58.200 0.078 0.000 1.004 33 S CB -0.391 62.857 63.200 0.081 0.000 0.778 33 S HN 0.484 nan 8.310 nan 0.000 0.459 34 E N 3.156 123.329 120.200 -0.047 0.000 2.415 34 E HA 0.238 4.588 4.350 -0.000 0.000 0.263 34 E C 0.688 177.017 176.600 -0.452 0.000 0.995 34 E CA 0.032 56.340 56.400 -0.153 0.000 0.915 34 E CB 0.468 30.121 29.700 -0.079 0.000 0.951 34 E HN 0.547 nan 8.360 nan 0.000 0.449 35 S N 1.747 117.077 115.700 -0.616 0.000 2.617 35 S HA 0.044 4.514 4.470 -0.000 0.000 0.255 35 S C 1.048 175.264 174.600 -0.641 0.000 1.318 35 S CA -0.238 57.276 58.200 -1.143 0.000 0.978 35 S CB 0.785 63.619 63.200 -0.609 0.000 0.961 35 S HN 0.517 nan 8.310 nan 0.000 0.582 36 T N 0.838 115.093 114.554 -0.499 0.000 2.746 36 T HA 0.029 4.378 4.350 -0.000 0.000 0.267 36 T C 1.987 176.616 174.700 -0.119 0.000 1.039 36 T CA 1.483 63.478 62.100 -0.175 0.000 1.142 36 T CB -1.104 67.747 68.868 -0.028 0.000 0.866 36 T HN 0.844 nan 8.240 nan 0.000 0.444 37 G N 0.283 109.010 108.800 -0.123 0.000 2.448 37 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 37 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 37 G C 1.799 176.648 174.900 -0.085 0.000 1.135 37 G CA 0.959 46.011 45.100 -0.079 0.000 0.784 37 G HN 0.512 nan 8.290 nan 0.000 0.543 38 S N 0.008 115.634 115.700 -0.124 0.000 2.377 38 S HA -0.020 4.450 4.470 -0.000 0.000 0.223 38 S C 2.198 176.752 174.600 -0.078 0.000 1.030 38 S CA 0.672 58.812 58.200 -0.100 0.000 0.970 38 S CB -0.176 62.951 63.200 -0.123 0.000 0.830 38 S HN 0.162 nan 8.310 nan 0.000 0.473 39 I N 2.063 122.577 120.570 -0.092 0.000 2.756 39 I HA 0.122 4.292 4.170 -0.000 0.000 0.262 39 I C 2.089 178.187 176.117 -0.031 0.000 1.225 39 I CA 0.725 61.999 61.300 -0.045 0.000 1.472 39 I CB -0.602 37.383 38.000 -0.026 0.000 1.094 39 I HN 0.323 nan 8.210 nan 0.000 0.454 40 A N 0.352 123.148 122.820 -0.040 0.000 1.877 40 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 40 A C 2.331 179.895 177.584 -0.033 0.000 1.186 40 A CA 1.798 53.818 52.037 -0.029 0.000 0.620 40 A CB -0.517 18.465 19.000 -0.030 0.000 0.822 40 A HN 0.442 nan 8.150 nan 0.000 0.443 41 K N -0.850 119.529 120.400 -0.036 0.000 2.097 41 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 41 K C 2.215 178.792 176.600 -0.039 0.000 1.049 41 K CA 1.076 57.342 56.287 -0.036 0.000 0.933 41 K CB -0.169 32.312 32.500 -0.033 0.000 0.717 41 K HN 0.221 nan 8.250 nan 0.000 0.442 42 R N 1.039 121.515 120.500 -0.039 0.000 2.081 42 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 42 R C 2.285 178.543 176.300 -0.069 0.000 1.131 42 R CA 1.157 57.227 56.100 -0.049 0.000 0.960 42 R CB -0.729 29.544 30.300 -0.046 0.000 0.856 42 R HN 0.271 nan 8.270 nan 0.000 0.436 43 L N 0.565 121.752 121.223 -0.061 0.000 2.156 43 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 43 L C 2.541 179.358 176.870 -0.088 0.000 1.095 43 L CA 0.858 55.654 54.840 -0.072 0.000 0.770 43 L CB -0.372 41.669 42.059 -0.030 0.000 0.914 43 L HN 0.098 nan 8.230 nan 0.000 0.439 44 Q N 0.104 119.864 119.800 -0.066 0.000 2.230 44 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 44 Q C 2.429 178.388 176.000 -0.068 0.000 0.963 44 Q CA 1.615 57.380 55.803 -0.064 0.000 0.866 44 Q CB 0.010 28.720 28.738 -0.048 0.000 0.931 44 Q HN 0.585 nan 8.270 nan 0.000 0.452 45 S N 0.062 115.723 115.700 -0.064 0.000 2.507 45 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 45 S C 1.613 176.169 174.600 -0.072 0.000 0.988 45 S CA 0.814 58.979 58.200 -0.058 0.000 0.944 45 S CB -0.440 62.733 63.200 -0.046 0.000 0.762 45 S HN 0.514 nan 8.310 nan 0.000 0.526 46 I N -3.376 117.132 120.570 -0.103 0.000 3.947 46 I HA 0.571 4.741 4.170 -0.000 0.000 0.327 46 I C 0.780 176.795 176.117 -0.171 0.000 1.519 46 I CA -0.334 60.883 61.300 -0.138 0.000 1.122 46 I CB -0.186 37.708 38.000 -0.178 0.000 1.146 46 I HN 0.171 nan 8.210 nan 0.000 0.442 47 G N 2.297 111.017 108.800 -0.133 0.000 2.370 47 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.293 47 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.293 47 G C -0.156 174.642 174.900 -0.170 0.000 0.992 47 G CA 0.699 45.722 45.100 -0.129 0.000 1.247 47 G HN 0.514 nan 8.290 nan 0.000 0.505 48 T N 0.058 114.507 114.554 -0.174 0.000 2.879 48 T HA 0.419 4.769 4.350 -0.000 0.000 0.290 48 T C 0.049 174.685 174.700 -0.107 0.000 0.993 48 T CA -0.554 61.426 62.100 -0.199 0.000 0.975 48 T CB 1.977 70.639 68.868 -0.344 0.000 0.981 48 T HN 0.530 nan 8.240 nan 0.000 0.439 49 E N 2.523 122.677 120.200 -0.077 0.000 2.465 49 E HA -0.038 4.312 4.350 -0.000 0.000 0.260 49 E C 0.117 176.718 176.600 0.002 0.000 0.980 49 E CA -0.164 56.216 56.400 -0.033 0.000 0.927 49 E CB 0.356 30.042 29.700 -0.023 0.000 0.934 49 E HN 0.458 nan 8.360 nan 0.000 0.459 50 N N 3.698 122.404 118.700 0.010 0.000 2.739 50 N HA 0.024 4.764 4.740 -0.000 0.000 0.266 50 N C -1.272 174.270 175.510 0.054 0.000 1.168 50 N CA -0.084 52.987 53.050 0.036 0.000 1.055 50 N CB 0.250 38.748 38.487 0.019 0.000 1.393 50 N HN 0.451 nan 8.380 nan 0.000 0.514 51 T N -1.506 113.095 114.554 0.078 0.000 2.950 51 T HA 0.284 4.634 4.350 -0.000 0.000 0.288 51 T C 0.929 175.701 174.700 0.120 0.000 1.035 51 T CA -0.805 61.346 62.100 0.085 0.000 1.028 51 T CB 1.623 70.536 68.868 0.074 0.000 1.109 51 T HN 0.345 nan 8.240 nan 0.000 0.514 52 E N -0.037 120.233 120.200 0.117 0.000 2.077 52 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 52 E C 1.766 178.467 176.600 0.168 0.000 0.989 52 E CA 1.371 57.857 56.400 0.143 0.000 0.800 52 E CB 0.001 29.777 29.700 0.127 0.000 0.746 52 E HN 0.785 nan 8.360 nan 0.000 0.452 53 E N 0.998 121.289 120.200 0.152 0.000 2.077 53 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 53 E C 1.698 178.448 176.600 0.250 0.000 0.989 53 E CA 1.550 58.056 56.400 0.177 0.000 0.800 53 E CB -0.206 29.573 29.700 0.132 0.000 0.746 53 E HN 0.212 nan 8.360 nan 0.000 0.452 54 N N 0.268 119.113 118.700 0.242 0.000 2.244 54 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 54 N C 1.756 177.512 175.510 0.410 0.000 1.016 54 N CA 0.950 54.217 53.050 0.362 0.000 0.866 54 N CB -0.180 38.483 38.487 0.294 0.000 0.980 54 N HN 0.220 nan 8.380 nan 0.000 0.430 55 R N 0.695 121.372 120.500 0.295 0.000 2.075 55 R HA 0.024 4.363 4.340 -0.000 0.000 0.232 55 R C 2.274 178.721 176.300 0.246 0.000 1.126 55 R CA 0.658 56.920 56.100 0.269 0.000 0.963 55 R CB -0.174 30.252 30.300 0.210 0.000 0.858 55 R HN 0.207 nan 8.270 nan 0.000 0.435 56 R N 0.285 120.944 120.500 0.265 0.000 2.073 56 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 56 R C 2.103 178.553 176.300 0.249 0.000 1.134 56 R CA 1.553 57.835 56.100 0.303 0.000 0.952 56 R CB -0.344 30.128 30.300 0.287 0.000 0.850 56 R HN 0.138 nan 8.270 nan 0.000 0.433 57 F N 0.351 120.375 119.950 0.122 0.000 2.126 57 F HA -0.268 4.258 4.527 -0.001 0.000 0.299 57 F C 2.067 177.758 175.800 -0.182 0.000 1.096 57 F CA 1.679 59.699 58.000 0.033 0.000 1.255 57 F CB -0.464 38.605 39.000 0.116 0.000 0.997 57 F HN 0.112 nan 8.300 nan 0.000 0.479 58 Y N 0.953 121.086 120.300 -0.277 0.000 2.163 58 Y HA -0.127 4.422 4.550 -0.001 0.000 0.288 58 Y C 2.435 178.041 175.900 -0.489 0.000 1.136 58 Y CA 1.624 59.346 58.100 -0.631 0.000 1.147 58 Y CB -0.671 37.510 38.460 -0.465 0.000 0.987 58 Y HN -0.139 nan 8.280 nan 0.000 0.509 59 R N 0.561 120.763 120.500 -0.496 0.000 2.096 59 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 59 R C 2.420 178.240 176.300 -0.799 0.000 1.127 59 R CA 1.659 57.350 56.100 -0.682 0.000 0.968 59 R CB -0.801 29.198 30.300 -0.501 0.000 0.861 59 R HN 0.605 nan 8.270 nan 0.000 0.440 60 Q N 0.219 119.653 119.800 -0.611 0.000 2.079 60 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 60 Q C 2.003 177.702 176.000 -0.502 0.000 0.974 60 Q CA 1.393 56.919 55.803 -0.462 0.000 0.840 60 Q CB -0.167 28.491 28.738 -0.133 0.000 0.898 60 Q HN 0.426 nan 8.270 nan 0.000 0.430 61 L N 0.328 121.160 121.223 -0.652 0.000 2.043 61 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 61 L C 2.098 178.683 176.870 -0.475 0.000 1.075 61 L CA 1.330 55.817 54.840 -0.589 0.000 0.752 61 L CB -0.146 41.496 42.059 -0.695 0.000 0.891 61 L HN 0.343 nan 8.230 nan 0.000 0.432 62 L N -0.846 119.985 121.223 -0.653 0.000 2.068 62 L HA -0.183 4.157 4.340 -0.000 0.000 0.204 62 L C 2.486 179.083 176.870 -0.455 0.000 1.076 62 L CA 0.898 55.305 54.840 -0.721 0.000 0.753 62 L CB -0.447 41.018 42.059 -0.990 0.000 0.910 62 L HN 0.289 nan 8.230 nan 0.000 0.439 63 L N -0.340 120.613 121.223 -0.451 0.000 2.141 63 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 63 L C 2.118 178.900 176.870 -0.147 0.000 1.094 63 L CA 1.562 56.224 54.840 -0.298 0.000 0.763 63 L CB -0.815 40.982 42.059 -0.435 0.000 0.908 63 L HN 0.426 nan 8.230 nan 0.000 0.437 64 T N -2.532 111.930 114.554 -0.154 0.000 3.244 64 T HA 0.476 4.825 4.350 -0.000 0.000 0.254 64 T C 0.648 175.324 174.700 -0.040 0.000 1.024 64 T CA -0.152 61.904 62.100 -0.073 0.000 0.920 64 T CB -0.133 68.692 68.868 -0.071 0.000 1.042 64 T HN 0.175 nan 8.240 nan 0.000 0.572 65 A N 2.377 125.196 122.820 -0.001 0.000 2.448 65 A HA 0.425 4.744 4.320 -0.000 0.000 0.239 65 A C 0.535 178.136 177.584 0.027 0.000 1.080 65 A CA -0.432 51.636 52.037 0.052 0.000 0.779 65 A CB -0.237 18.880 19.000 0.195 0.000 1.026 65 A HN 0.784 nan 8.150 nan 0.000 0.499 66 D N 0.244 120.654 120.400 0.016 0.000 2.364 66 D HA 0.031 4.670 4.640 -0.000 0.000 0.236 66 D C 0.122 176.423 176.300 0.002 0.000 1.221 66 D CA -0.025 53.978 54.000 0.006 0.000 0.891 66 D CB 0.378 41.180 40.800 0.003 0.000 1.190 66 D HN 0.433 nan 8.370 nan 0.000 0.449 67 D N -0.119 120.282 120.400 0.002 0.000 2.393 67 D HA -0.153 4.486 4.640 -0.000 0.000 0.220 67 D C 1.676 177.972 176.300 -0.007 0.000 0.974 67 D CA 0.624 54.624 54.000 0.000 0.000 0.931 67 D CB -0.079 40.723 40.800 0.002 0.000 0.889 67 D HN 0.443 nan 8.370 nan 0.000 0.512 68 R N 0.230 120.720 120.500 -0.016 0.000 2.152 68 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 68 R C 2.342 178.618 176.300 -0.040 0.000 1.117 68 R CA 0.936 57.020 56.100 -0.027 0.000 0.981 68 R CB -0.092 30.186 30.300 -0.036 0.000 0.870 68 R HN 0.239 nan 8.270 nan 0.000 0.451 69 V N -1.397 118.487 119.914 -0.049 0.000 3.041 69 V HA -0.057 4.063 4.120 -0.000 0.000 0.260 69 V C 1.240 177.329 176.094 -0.009 0.000 1.105 69 V CA 1.204 63.467 62.300 -0.060 0.000 1.125 69 V CB -0.395 31.379 31.823 -0.082 0.000 0.730 69 V HN 0.097 nan 8.190 nan 0.000 0.479 70 N N 2.445 121.145 118.700 0.000 0.000 2.037 70 N HA -0.106 4.633 4.740 -0.000 0.000 0.196 70 N C -0.345 175.170 175.510 0.009 0.000 1.034 70 N CA 2.535 55.590 53.050 0.009 0.000 0.861 70 N CB -1.736 36.755 38.487 0.007 0.000 1.039 70 N HN 0.525 nan 8.380 nan 0.000 0.427 71 P HA 0.160 nan 4.420 nan 0.000 0.241 71 P C 0.424 177.734 177.300 0.018 0.000 1.191 71 P CA 0.657 63.762 63.100 0.008 0.000 0.771 71 P CB 0.059 31.763 31.700 0.006 0.000 0.929 72 C N -0.571 118.745 119.300 0.027 0.000 2.527 72 C HA 0.232 4.692 4.460 -0.000 0.000 0.280 72 C C 1.195 176.247 174.990 0.103 0.000 1.353 72 C CA -0.072 58.990 59.018 0.074 0.000 1.749 72 C CB -0.366 27.402 27.740 0.048 0.000 2.088 72 C HN 0.088 nan 8.230 nan 0.000 0.508 73 I N 2.148 122.754 120.570 0.059 0.000 2.330 73 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 73 I C 1.310 177.420 176.117 -0.013 0.000 1.025 73 I CA 0.227 61.554 61.300 0.045 0.000 1.197 73 I CB 0.291 38.347 38.000 0.093 0.000 1.358 73 I HN 0.265 nan 8.210 nan 0.000 0.467 74 G N 4.646 113.394 108.800 -0.086 0.000 2.603 74 G HA2 0.329 4.289 3.960 -0.000 0.000 0.214 74 G HA3 0.329 4.289 3.960 -0.000 0.000 0.214 74 G C 0.617 175.470 174.900 -0.079 0.000 1.140 74 G CA 0.320 45.362 45.100 -0.098 0.000 0.800 74 G HN 0.715 nan 8.290 nan 0.000 0.533 75 G N -1.466 107.296 108.800 -0.064 0.000 2.698 75 G HA2 0.483 4.443 3.960 -0.000 0.000 0.293 75 G HA3 0.483 4.443 3.960 -0.000 0.000 0.293 75 G C -2.122 172.872 174.900 0.157 0.000 1.437 75 G CA -0.387 44.751 45.100 0.064 0.000 0.852 75 G HN 0.347 nan 8.290 nan 0.000 0.499 76 V N 1.575 121.644 119.914 0.257 0.000 2.569 76 V HA 0.403 4.523 4.120 -0.000 0.000 0.301 76 V C -0.199 175.945 176.094 0.082 0.000 1.044 76 V CA -0.555 61.824 62.300 0.133 0.000 0.874 76 V CB 1.521 33.354 31.823 0.017 0.000 1.002 76 V HN 0.675 nan 8.190 nan 0.000 0.424 77 I N 5.938 126.553 120.570 0.076 0.000 2.352 77 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 77 I C -0.326 175.737 176.117 -0.090 0.000 1.036 77 I CA -0.073 61.191 61.300 -0.061 0.000 1.336 77 I CB 0.799 38.830 38.000 0.051 0.000 1.407 77 I HN 0.346 nan 8.210 nan 0.000 0.497 78 L N 5.637 126.763 121.223 -0.162 0.000 2.322 78 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 78 L C -0.384 176.462 176.870 -0.040 0.000 1.012 78 L CA -0.796 53.982 54.840 -0.103 0.000 0.815 78 L CB 1.940 43.906 42.059 -0.155 0.000 1.295 78 L HN 0.397 nan 8.230 nan 0.000 0.438 79 F N -0.123 119.770 119.950 -0.096 0.000 2.370 79 F HA 0.216 4.743 4.527 -0.000 0.000 0.324 79 F C 1.467 177.264 175.800 -0.004 0.000 1.116 79 F CA -0.049 57.929 58.000 -0.036 0.000 1.123 79 F CB 0.793 39.802 39.000 0.015 0.000 1.238 79 F HN 0.535 nan 8.300 nan 0.000 0.536 80 H N 1.679 120.188 119.070 -0.935 0.000 2.267 80 H HA -0.250 4.306 4.556 -0.000 0.000 0.291 80 H C 2.174 177.406 175.328 -0.160 0.000 1.094 80 H CA 2.702 58.446 56.048 -0.506 0.000 1.227 80 H CB -0.142 29.307 29.762 -0.521 0.000 1.351 80 H HN 0.828 nan 8.280 nan 0.000 0.483 81 E N -0.980 119.222 120.200 0.003 0.000 2.065 81 E HA -0.225 4.124 4.350 -0.000 0.000 0.201 81 E C 1.997 178.719 176.600 0.203 0.000 1.016 81 E CA 2.151 58.702 56.400 0.251 0.000 0.818 81 E CB -0.139 29.796 29.700 0.392 0.000 0.749 81 E HN 0.620 nan 8.360 nan 0.000 0.453 82 T N 1.430 116.101 114.554 0.194 0.000 2.833 82 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 82 T C 1.747 176.515 174.700 0.112 0.000 1.054 82 T CA 0.971 63.194 62.100 0.206 0.000 1.135 82 T CB -0.240 68.710 68.868 0.137 0.000 0.869 82 T HN 0.137 nan 8.240 nan 0.000 0.466 83 L N 0.269 121.406 121.223 -0.144 0.000 2.265 83 L HA -0.027 4.312 4.340 -0.000 0.000 0.215 83 L C 1.002 177.539 176.870 -0.555 0.000 1.117 83 L CA 1.595 56.189 54.840 -0.410 0.000 0.782 83 L CB -0.488 41.145 42.059 -0.710 0.000 0.914 83 L HN 0.289 nan 8.230 nan 0.000 0.441 84 Y N -1.217 119.052 120.300 -0.052 0.000 2.555 84 Y HA 0.345 4.895 4.550 -0.000 0.000 0.259 84 Y C 0.803 176.662 175.900 -0.069 0.000 1.179 84 Y CA -0.668 57.396 58.100 -0.060 0.000 1.230 84 Y CB -0.152 38.267 38.460 -0.070 0.000 1.146 84 Y HN 0.229 nan 8.280 nan 0.000 0.526 85 Q N 0.592 120.394 119.800 0.003 0.000 2.193 85 Q HA 0.481 4.821 4.340 -0.000 0.000 0.246 85 Q C -0.535 175.069 176.000 -0.659 0.000 0.959 85 Q CA -0.770 54.920 55.803 -0.189 0.000 0.904 85 Q CB 1.741 30.467 28.738 -0.021 0.000 1.238 85 Q HN 0.142 nan 8.270 nan 0.000 0.469 86 K N -0.048 119.922 120.400 -0.717 0.000 2.395 86 K HA 0.662 4.982 4.320 -0.000 0.000 0.247 86 K C -1.004 175.129 176.600 -0.778 0.000 0.973 86 K CA -0.735 55.108 56.287 -0.741 0.000 0.828 86 K CB 1.890 34.203 32.500 -0.311 0.000 1.272 86 K HN 0.634 nan 8.250 nan 0.000 0.439 87 A N 0.793 123.313 122.820 -0.500 0.000 2.296 87 A HA 0.083 4.403 4.320 -0.000 0.000 0.264 87 A C 0.509 178.053 177.584 -0.066 0.000 1.097 87 A CA -0.171 51.795 52.037 -0.117 0.000 0.811 87 A CB 0.061 19.093 19.000 0.054 0.000 1.072 87 A HN 0.857 nan 8.150 nan 0.000 0.495 88 D N 0.467 120.873 120.400 0.010 0.000 2.158 88 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 88 D C 0.986 177.290 176.300 0.007 0.000 0.995 88 D CA 1.845 55.859 54.000 0.024 0.000 0.846 88 D CB -0.156 40.678 40.800 0.056 0.000 0.941 88 D HN 0.766 nan 8.370 nan 0.000 0.456 89 D N -0.580 119.821 120.400 0.001 0.000 2.363 89 D HA 0.015 4.655 4.640 -0.000 0.000 0.226 89 D C 1.518 177.808 176.300 -0.017 0.000 1.020 89 D CA 0.928 54.928 54.000 -0.001 0.000 0.892 89 D CB -0.019 40.784 40.800 0.005 0.000 0.900 89 D HN 0.286 nan 8.370 nan 0.000 0.531 90 G N 0.649 109.425 108.800 -0.040 0.000 2.176 90 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 90 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 90 G C 0.268 175.127 174.900 -0.069 0.000 0.979 90 G CA -0.141 44.927 45.100 -0.054 0.000 0.641 90 G HN 0.437 nan 8.290 nan 0.000 0.530 91 R N 1.201 121.663 120.500 -0.064 0.000 2.347 91 R HA 0.374 4.714 4.340 -0.000 0.000 0.304 91 R C -2.435 173.799 176.300 -0.110 0.000 1.072 91 R CA -1.517 54.550 56.100 -0.055 0.000 0.980 91 R CB 0.519 30.811 30.300 -0.014 0.000 0.986 91 R HN 0.134 nan 8.270 nan 0.000 0.448 92 P HA -0.060 nan 4.420 nan 0.000 0.268 92 P C 0.193 177.465 177.300 -0.047 0.000 1.205 92 P CA 0.089 63.111 63.100 -0.130 0.000 0.771 92 P CB 0.359 32.021 31.700 -0.063 0.000 0.858 93 F N 3.764 123.675 119.950 -0.065 0.000 2.120 93 F HA -0.109 4.417 4.527 -0.001 0.000 0.300 93 F C -0.475 175.272 175.800 -0.087 0.000 1.095 93 F CA 1.628 59.579 58.000 -0.082 0.000 1.249 93 F CB -2.729 36.211 39.000 -0.100 0.000 0.995 93 F HN 0.433 nan 8.300 nan 0.000 0.480 94 P HA -0.223 nan 4.420 nan 0.000 0.216 94 P C 1.732 179.043 177.300 0.018 0.000 1.150 94 P CA 1.767 64.869 63.100 0.004 0.000 0.843 94 P CB -0.163 31.504 31.700 -0.055 0.000 0.787 95 Q N -0.344 119.470 119.800 0.023 0.000 2.079 95 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 95 Q C 1.898 177.918 176.000 0.033 0.000 0.974 95 Q CA 1.381 57.197 55.803 0.020 0.000 0.840 95 Q CB -0.412 28.332 28.738 0.010 0.000 0.898 95 Q HN 0.017 nan 8.270 nan 0.000 0.430 96 V N 1.105 121.056 119.914 0.061 0.000 2.287 96 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 96 V C 2.279 178.395 176.094 0.036 0.000 1.053 96 V CA 1.817 64.155 62.300 0.063 0.000 1.027 96 V CB -0.533 31.365 31.823 0.125 0.000 0.646 96 V HN 0.396 nan 8.190 nan 0.000 0.447 97 I N -0.384 120.204 120.570 0.029 0.000 2.179 97 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 97 I C 2.575 178.704 176.117 0.021 0.000 1.088 97 I CA 1.767 63.075 61.300 0.012 0.000 1.357 97 I CB -0.460 37.540 38.000 0.001 0.000 1.051 97 I HN 0.268 nan 8.210 nan 0.000 0.409 98 K N 0.719 121.132 120.400 0.022 0.000 2.097 98 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 98 K C 2.211 178.822 176.600 0.019 0.000 1.049 98 K CA 1.846 58.147 56.287 0.022 0.000 0.933 98 K CB -0.296 32.216 32.500 0.020 0.000 0.717 98 K HN 0.405 nan 8.250 nan 0.000 0.442 99 S N 1.200 116.911 115.700 0.019 0.000 2.442 99 S HA -0.098 4.372 4.470 -0.000 0.000 0.236 99 S C 1.475 176.085 174.600 0.015 0.000 1.007 99 S CA 0.968 59.178 58.200 0.016 0.000 0.965 99 S CB -0.081 63.129 63.200 0.017 0.000 0.773 99 S HN 0.220 nan 8.310 nan 0.000 0.504 100 K N 0.563 120.974 120.400 0.017 0.000 2.387 100 K HA 0.331 4.650 4.320 -0.000 0.000 0.198 100 K C 1.088 177.698 176.600 0.016 0.000 1.022 100 K CA 0.328 56.624 56.287 0.016 0.000 1.128 100 K CB 0.197 32.708 32.500 0.018 0.000 0.853 100 K HN 0.510 nan 8.250 nan 0.000 0.523 101 G N 0.933 109.742 108.800 0.016 0.000 2.157 101 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.239 101 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.239 101 G C 0.288 175.198 174.900 0.017 0.000 0.982 101 G CA -0.214 44.894 45.100 0.014 0.000 0.650 101 G HN 0.470 nan 8.290 nan 0.000 0.527 102 G N -0.956 107.858 108.800 0.025 0.000 2.412 102 G HA2 0.678 4.638 3.960 -0.000 0.000 0.318 102 G HA3 0.678 4.638 3.960 -0.000 0.000 0.318 102 G C -0.128 174.806 174.900 0.057 0.000 1.146 102 G CA -0.071 45.050 45.100 0.035 0.000 0.882 102 G HN 0.855 nan 8.290 nan 0.000 0.501 103 V N 0.838 120.808 119.914 0.093 0.000 2.567 103 V HA 0.292 4.412 4.120 -0.000 0.000 0.289 103 V C 0.262 176.512 176.094 0.259 0.000 1.049 103 V CA -0.589 61.809 62.300 0.163 0.000 0.969 103 V CB 1.601 33.529 31.823 0.175 0.000 0.995 103 V HN 0.477 nan 8.190 nan 0.000 0.471 104 V N 3.769 123.766 119.914 0.138 0.000 2.465 104 V HA 0.707 4.827 4.120 -0.000 0.000 0.279 104 V C 0.752 176.627 176.094 -0.365 0.000 1.045 104 V CA 0.024 62.301 62.300 -0.038 0.000 0.938 104 V CB 1.203 32.973 31.823 -0.088 0.000 0.986 104 V HN 1.011 nan 8.190 nan 0.000 0.467 105 G N 3.410 111.726 108.800 -0.806 0.000 2.511 105 G HA2 0.756 4.716 3.960 -0.000 0.000 0.318 105 G HA3 0.756 4.716 3.960 -0.000 0.000 0.318 105 G C -1.611 172.823 174.900 -0.778 0.000 1.210 105 G CA -0.578 43.542 45.100 -1.632 0.000 0.969 105 G HN 0.605 nan 8.290 nan 0.000 0.484 106 I N -0.208 119.972 120.570 -0.649 0.000 2.569 106 I HA 0.440 4.610 4.170 -0.000 0.000 0.290 106 I C -0.373 175.569 176.117 -0.293 0.000 1.088 106 I CA -1.147 59.860 61.300 -0.488 0.000 1.047 106 I CB 2.117 39.664 38.000 -0.755 0.000 1.237 106 I HN 0.340 nan 8.210 nan 0.000 0.421 107 K N 6.435 126.727 120.400 -0.180 0.000 2.339 107 K HA 0.326 4.645 4.320 -0.000 0.000 0.286 107 K C 0.259 176.833 176.600 -0.042 0.000 1.050 107 K CA 0.123 56.381 56.287 -0.048 0.000 0.956 107 K CB 1.046 33.576 32.500 0.050 0.000 0.990 107 K HN 0.633 nan 8.250 nan 0.000 0.475 108 V N 0.134 120.070 119.914 0.038 0.000 3.477 108 V HA 0.100 4.220 4.120 -0.000 0.000 0.297 108 V C 0.209 176.332 176.094 0.048 0.000 1.433 108 V CA -0.039 62.341 62.300 0.133 0.000 1.052 108 V CB -0.384 31.631 31.823 0.319 0.000 0.895 108 V HN 0.774 nan 8.190 nan 0.000 0.438 109 D N 0.690 120.957 120.400 -0.220 0.000 2.358 109 D HA 0.239 4.878 4.640 -0.000 0.000 0.244 109 D C 0.244 176.308 176.300 -0.392 0.000 1.163 109 D CA -0.376 53.189 54.000 -0.725 0.000 0.945 109 D CB 0.760 40.693 40.800 -1.444 0.000 1.152 109 D HN 0.207 nan 8.370 nan 0.000 0.451 110 K N 0.501 120.652 120.400 -0.416 0.000 2.861 110 K HA 0.419 4.739 4.320 -0.000 0.000 0.210 110 K C 0.136 176.623 176.600 -0.189 0.000 1.112 110 K CA -0.298 55.872 56.287 -0.194 0.000 1.076 110 K CB 0.498 32.936 32.500 -0.103 0.000 0.853 110 K HN 0.741 nan 8.250 nan 0.000 0.463 111 G N 0.779 109.424 108.800 -0.260 0.000 2.795 111 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.664 111 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.664 111 G C -0.207 174.584 174.900 -0.181 0.000 1.381 111 G CA -0.516 44.469 45.100 -0.191 0.000 0.853 111 G HN 0.208 nan 8.290 nan 0.000 0.545 112 V N -1.680 118.162 119.914 -0.121 0.000 2.953 112 V HA 0.870 4.990 4.120 -0.000 0.000 0.304 112 V C 1.025 177.092 176.094 -0.045 0.000 1.073 112 V CA 0.161 62.414 62.300 -0.078 0.000 1.064 112 V CB 1.173 32.964 31.823 -0.053 0.000 1.047 112 V HN 2.288 nan 8.190 nan 0.000 0.478 113 V N -0.623 119.278 119.914 -0.021 0.000 2.925 113 V HA 0.745 4.865 4.120 -0.000 0.000 0.311 113 V C -2.785 173.311 176.094 0.004 0.000 1.104 113 V CA -2.216 60.080 62.300 -0.007 0.000 0.954 113 V CB 1.860 33.684 31.823 0.001 0.000 1.022 113 V HN 0.894 nan 8.190 nan 0.000 0.427 114 P HA 0.312 nan 4.420 nan 0.000 0.271 114 P C -0.774 176.536 177.300 0.016 0.000 1.216 114 P CA -0.090 63.016 63.100 0.010 0.000 0.776 114 P CB 1.152 32.857 31.700 0.009 0.000 0.881 115 L N 2.682 123.917 121.223 0.019 0.000 2.255 115 L HA 0.377 4.717 4.340 -0.000 0.000 0.289 115 L C 1.030 177.912 176.870 0.020 0.000 1.046 115 L CA -0.815 54.038 54.840 0.022 0.000 0.816 115 L CB 0.886 42.960 42.059 0.024 0.000 1.197 115 L HN 0.433 nan 8.230 nan 0.000 0.427 116 A N 2.624 125.455 122.820 0.019 0.000 2.520 116 A HA 0.434 4.754 4.320 -0.000 0.000 0.235 116 A C 1.287 178.882 177.584 0.018 0.000 1.065 116 A CA 0.689 52.736 52.037 0.017 0.000 0.764 116 A CB 0.086 19.095 19.000 0.015 0.000 1.002 116 A HN 1.126 nan 8.150 nan 0.000 0.502 117 G N 0.719 109.530 108.800 0.018 0.000 2.159 117 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.256 117 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.256 117 G C 0.476 175.389 174.900 0.022 0.000 0.977 117 G CA 1.324 46.434 45.100 0.017 0.000 0.652 117 G HN 2.269 nan 8.290 nan 0.000 0.531 118 T N -2.704 111.866 114.554 0.026 0.000 2.927 118 T HA 0.614 4.964 4.350 -0.000 0.000 0.286 118 T C -0.077 174.647 174.700 0.040 0.000 1.040 118 T CA -0.205 61.916 62.100 0.034 0.000 1.010 118 T CB 1.929 70.816 68.868 0.032 0.000 1.177 118 T HN 0.250 nan 8.240 nan 0.000 0.546 119 N N 0.227 118.959 118.700 0.053 0.000 3.034 119 N HA 0.377 5.116 4.740 -0.000 0.000 0.265 119 N C 1.206 176.736 175.510 0.034 0.000 1.166 119 N CA 0.724 53.805 53.050 0.052 0.000 1.081 119 N CB -0.931 37.602 38.487 0.076 0.000 1.378 119 N HN 1.210 nan 8.380 nan 0.000 0.520 120 G N 1.172 109.988 108.800 0.027 0.000 2.198 120 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 120 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 120 G C -0.131 174.780 174.900 0.018 0.000 1.025 120 G CA 0.187 45.298 45.100 0.020 0.000 0.769 120 G HN 0.586 nan 8.290 nan 0.000 0.507 121 E N 0.038 120.251 120.200 0.022 0.000 2.283 121 E HA 0.624 4.974 4.350 -0.000 0.000 0.267 121 E C 0.712 177.322 176.600 0.018 0.000 1.045 121 E CA 0.188 56.601 56.400 0.020 0.000 0.884 121 E CB 1.114 30.829 29.700 0.025 0.000 1.106 121 E HN 0.450 nan 8.360 nan 0.000 0.408 122 T N -1.722 112.843 114.554 0.017 0.000 2.887 122 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 122 T C -0.207 174.508 174.700 0.025 0.000 1.087 122 T CA -0.756 61.354 62.100 0.016 0.000 1.009 122 T CB 2.008 70.879 68.868 0.006 0.000 1.203 122 T HN 0.374 nan 8.240 nan 0.000 0.518 123 T N -0.599 113.974 114.554 0.032 0.000 2.773 123 T HA 0.727 5.077 4.350 -0.000 0.000 0.278 123 T C -1.090 173.642 174.700 0.053 0.000 1.011 123 T CA -0.438 61.697 62.100 0.058 0.000 1.014 123 T CB 1.644 70.554 68.868 0.070 0.000 1.293 123 T HN 0.871 nan 8.240 nan 0.000 0.554 124 T N 1.858 116.480 114.554 0.113 0.000 2.876 124 T HA 0.562 4.912 4.350 -0.000 0.000 0.289 124 T C -0.793 173.980 174.700 0.122 0.000 1.014 124 T CA -0.731 61.386 62.100 0.028 0.000 0.986 124 T CB 1.610 70.435 68.868 -0.072 0.000 1.021 124 T HN 0.719 nan 8.240 nan 0.000 0.458 125 Q N 0.707 120.473 119.800 -0.057 0.000 2.252 125 Q HA 0.786 5.126 4.340 -0.000 0.000 0.256 125 Q C 0.510 176.445 176.000 -0.108 0.000 1.020 125 Q CA -1.018 54.810 55.803 0.042 0.000 0.913 125 Q CB 1.448 30.198 28.738 0.020 0.000 1.286 125 Q HN 0.868 nan 8.270 nan 0.000 0.480 126 G N -0.391 108.494 108.800 0.141 0.000 2.321 126 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.174 126 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.174 126 G C 0.347 175.502 174.900 0.425 0.000 1.008 126 G CA 0.011 45.202 45.100 0.151 0.000 0.739 126 G HN 0.484 nan 8.290 nan 0.000 0.502 127 L N 0.610 122.088 121.223 0.426 0.000 2.240 127 L HA 0.181 4.520 4.340 -0.000 0.000 0.211 127 L C 0.532 177.506 176.870 0.173 0.000 1.106 127 L CA 0.313 55.322 54.840 0.283 0.000 0.793 127 L CB -0.288 41.877 42.059 0.177 0.000 0.927 127 L HN 0.062 nan 8.230 nan 0.000 0.446 128 D N 1.287 121.772 120.400 0.141 0.000 2.434 128 D HA 0.197 4.837 4.640 -0.000 0.000 0.252 128 D C 1.250 177.599 176.300 0.081 0.000 1.185 128 D CA 1.130 55.185 54.000 0.091 0.000 0.886 128 D CB 0.800 41.641 40.800 0.069 0.000 1.148 128 D HN 0.287 nan 8.370 nan 0.000 0.483 129 G N 2.062 110.899 108.800 0.062 0.000 2.187 129 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.261 129 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.261 129 G C 0.990 175.928 174.900 0.062 0.000 1.000 129 G CA 0.566 45.693 45.100 0.045 0.000 0.718 129 G HN 0.514 nan 8.290 nan 0.000 0.519 130 L N 0.958 122.243 121.223 0.103 0.000 2.131 130 L HA 0.149 4.489 4.340 -0.000 0.000 0.210 130 L C 2.668 179.602 176.870 0.107 0.000 1.092 130 L CA 3.001 57.928 54.840 0.145 0.000 0.759 130 L CB -0.753 41.432 42.059 0.210 0.000 0.903 130 L HN 0.358 nan 8.230 nan 0.000 0.435 131 S N -0.752 114.990 115.700 0.070 0.000 2.356 131 S HA -0.197 4.273 4.470 -0.000 0.000 0.223 131 S C 1.846 176.464 174.600 0.029 0.000 1.032 131 S CA 1.488 59.717 58.200 0.048 0.000 1.005 131 S CB -0.197 63.023 63.200 0.033 0.000 0.867 131 S HN 0.590 nan 8.310 nan 0.000 0.449 132 E N 1.034 121.241 120.200 0.012 0.000 2.077 132 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 132 E C 2.337 178.900 176.600 -0.060 0.000 0.989 132 E CA 1.024 57.413 56.400 -0.018 0.000 0.800 132 E CB -0.201 29.486 29.700 -0.023 0.000 0.746 132 E HN 0.470 nan 8.360 nan 0.000 0.452 133 R N -0.337 120.124 120.500 -0.065 0.000 2.081 133 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 133 R C 2.387 178.572 176.300 -0.192 0.000 1.131 133 R CA 1.397 57.370 56.100 -0.211 0.000 0.960 133 R CB -0.666 29.590 30.300 -0.073 0.000 0.856 133 R HN 0.249 nan 8.270 nan 0.000 0.436 134 C N 0.111 119.450 119.300 0.066 0.000 2.429 134 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 134 C C 2.937 177.985 174.990 0.097 0.000 1.262 134 C CA 0.785 59.905 59.018 0.170 0.000 1.733 134 C CB -0.905 26.922 27.740 0.145 0.000 2.010 134 C HN 0.601 nan 8.230 nan 0.000 0.483 135 A N -0.207 122.633 122.820 0.032 0.000 1.902 135 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 135 A C 2.059 179.650 177.584 0.012 0.000 1.181 135 A CA 2.084 54.135 52.037 0.023 0.000 0.623 135 A CB -0.633 18.371 19.000 0.007 0.000 0.818 135 A HN 0.592 nan 8.150 nan 0.000 0.443 136 Q N -1.228 118.542 119.800 -0.050 0.000 2.079 136 Q HA -0.155 4.184 4.340 -0.000 0.000 0.200 136 Q C 1.716 177.732 176.000 0.027 0.000 0.974 136 Q CA 1.921 57.687 55.803 -0.060 0.000 0.840 136 Q CB -0.549 28.089 28.738 -0.167 0.000 0.898 136 Q HN 0.678 nan 8.270 nan 0.000 0.430 137 Y N 0.321 120.659 120.300 0.063 0.000 2.224 137 Y HA -0.135 4.415 4.550 0.000 0.000 0.289 137 Y C 2.194 178.089 175.900 -0.009 0.000 1.146 137 Y CA 1.488 59.598 58.100 0.018 0.000 1.182 137 Y CB -0.584 37.876 38.460 -0.000 0.000 0.983 137 Y HN 0.125 nan 8.280 nan 0.000 0.524 138 K N 1.104 121.605 120.400 0.168 0.000 2.026 138 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 138 K C 2.130 178.772 176.600 0.069 0.000 1.048 138 K CA 1.809 58.153 56.287 0.095 0.000 0.929 138 K CB -0.297 32.249 32.500 0.077 0.000 0.713 138 K HN 0.190 nan 8.250 nan 0.000 0.439 139 K N 0.023 120.463 120.400 0.067 0.000 2.097 139 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 139 K C 0.289 176.925 176.600 0.060 0.000 1.049 139 K CA 1.824 58.143 56.287 0.053 0.000 0.933 139 K CB -0.045 32.481 32.500 0.045 0.000 0.717 139 K HN 0.172 nan 8.250 nan 0.000 0.442 140 D N -0.750 119.701 120.400 0.084 0.000 2.325 140 D HA 0.104 4.744 4.640 -0.000 0.000 0.234 140 D C 0.726 177.022 176.300 -0.008 0.000 1.122 140 D CA 0.801 54.843 54.000 0.070 0.000 0.850 140 D CB 0.735 41.627 40.800 0.153 0.000 0.921 140 D HN 0.534 nan 8.370 nan 0.000 0.513 141 G N 0.079 108.881 108.800 0.004 0.000 2.195 141 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.224 141 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.224 141 G C 0.505 175.382 174.900 -0.038 0.000 0.990 141 G CA -0.036 45.051 45.100 -0.020 0.000 0.639 141 G HN 0.585 nan 8.290 nan 0.000 0.514 142 A N 0.081 122.873 122.820 -0.046 0.000 2.309 142 A HA 0.675 4.995 4.320 -0.000 0.000 0.298 142 A C 0.660 178.234 177.584 -0.017 0.000 1.165 142 A CA 0.405 52.384 52.037 -0.095 0.000 0.821 142 A CB 0.628 19.519 19.000 -0.181 0.000 1.102 142 A HN 0.098 nan 8.150 nan 0.000 0.500 143 D N 0.174 120.581 120.400 0.011 0.000 2.479 143 D HA 0.212 4.852 4.640 -0.000 0.000 0.216 143 D C -0.374 176.053 176.300 0.213 0.000 1.110 143 D CA 0.842 54.911 54.000 0.116 0.000 0.841 143 D CB 0.435 41.326 40.800 0.152 0.000 1.040 143 D HN 0.544 nan 8.370 nan 0.000 0.505 144 F N 0.015 119.969 119.950 0.007 0.000 2.643 144 F HA 0.804 5.330 4.527 -0.000 0.000 0.314 144 F C -1.344 174.475 175.800 0.031 0.000 1.096 144 F CA -1.482 56.528 58.000 0.017 0.000 0.953 144 F CB 1.207 40.209 39.000 0.003 0.000 1.345 144 F HN -0.185 nan 8.300 nan 0.000 0.468 145 A N 1.528 124.469 122.820 0.201 0.000 2.530 145 A HA 0.833 5.153 4.320 -0.000 0.000 0.288 145 A C -1.691 176.089 177.584 0.328 0.000 1.172 145 A CA -1.010 51.106 52.037 0.131 0.000 0.733 145 A CB 2.120 21.270 19.000 0.251 0.000 1.320 145 A HN 0.922 nan 8.150 nan 0.000 0.419 146 K N 0.443 120.986 120.400 0.239 0.000 2.468 146 K HA 0.433 4.753 4.320 -0.000 0.000 0.252 146 K C -2.214 174.429 176.600 0.072 0.000 0.932 146 K CA -0.430 55.984 56.287 0.211 0.000 0.794 146 K CB 1.855 34.436 32.500 0.135 0.000 1.241 146 K HN 0.750 nan 8.250 nan 0.000 0.428 147 W N 5.833 126.928 121.300 -0.342 0.000 2.830 147 W HA 0.382 5.041 4.660 -0.001 0.000 0.335 147 W C -1.670 174.665 176.519 -0.307 0.000 1.043 147 W CA -0.650 56.354 57.345 -0.569 0.000 1.239 147 W CB 1.388 29.926 29.460 -1.536 0.000 1.378 147 W HN 0.665 nan 8.180 nan 0.000 0.456 148 R N 5.247 125.620 120.500 -0.213 0.000 2.295 148 R HA 0.612 4.952 4.340 -0.000 0.000 0.324 148 R C -1.208 175.046 176.300 -0.076 0.000 0.968 148 R CA -0.011 56.041 56.100 -0.079 0.000 0.837 148 R CB 0.889 31.136 30.300 -0.089 0.000 1.133 148 R HN 0.441 nan 8.270 nan 0.000 0.450 149 C N 3.938 123.276 119.300 0.063 0.000 2.435 149 C HA 0.630 5.090 4.460 -0.000 0.000 0.333 149 C C -0.547 174.460 174.990 0.028 0.000 1.202 149 C CA -0.551 58.510 59.018 0.073 0.000 1.830 149 C CB 1.572 29.391 27.740 0.132 0.000 2.326 149 C HN 0.568 nan 8.230 nan 0.000 0.507 150 V N 4.434 124.357 119.914 0.016 0.000 2.540 150 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 150 V C -0.423 175.678 176.094 0.012 0.000 1.035 150 V CA -0.330 61.976 62.300 0.010 0.000 0.873 150 V CB 1.472 33.295 31.823 -0.000 0.000 0.992 150 V HN 0.692 nan 8.190 nan 0.000 0.428 151 L N 3.814 125.043 121.223 0.009 0.000 2.354 151 L HA 0.714 5.054 4.340 -0.000 0.000 0.264 151 L C -0.483 176.386 176.870 -0.002 0.000 1.008 151 L CA -0.716 54.127 54.840 0.004 0.000 0.819 151 L CB 2.459 44.518 42.059 -0.001 0.000 1.339 151 L HN 0.570 nan 8.230 nan 0.000 0.420 152 K N 1.871 122.268 120.400 -0.006 0.000 2.371 152 K HA 0.602 4.921 4.320 -0.000 0.000 0.251 152 K C -1.349 175.227 176.600 -0.041 0.000 0.934 152 K CA -0.595 55.684 56.287 -0.014 0.000 0.798 152 K CB 1.961 34.463 32.500 0.004 0.000 1.204 152 K HN 0.504 nan 8.250 nan 0.000 0.427 153 I N 3.484 124.000 120.570 -0.090 0.000 2.312 153 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 153 I C 0.522 176.589 176.117 -0.084 0.000 1.031 153 I CA -0.106 61.097 61.300 -0.162 0.000 1.293 153 I CB 1.328 39.039 38.000 -0.481 0.000 1.403 153 I HN 0.827 nan 8.210 nan 0.000 0.484 154 G N 4.067 112.835 108.800 -0.054 0.000 2.815 154 G HA2 0.259 4.219 3.960 -0.000 0.000 0.305 154 G HA3 0.259 4.219 3.960 -0.000 0.000 0.305 154 G C 0.149 175.005 174.900 -0.074 0.000 1.277 154 G CA -0.303 44.770 45.100 -0.045 0.000 0.795 154 G HN 0.517 nan 8.290 nan 0.000 0.528 155 E N -0.389 119.712 120.200 -0.166 0.000 2.058 155 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 155 E C 0.701 177.167 176.600 -0.223 0.000 0.997 155 E CA 1.284 57.509 56.400 -0.291 0.000 0.801 155 E CB -0.047 29.299 29.700 -0.590 0.000 0.746 155 E HN 0.429 nan 8.360 nan 0.000 0.450 156 H N -0.804 118.274 119.070 0.014 0.000 2.567 156 H HA 0.213 4.769 4.556 -0.000 0.000 0.267 156 H C -0.070 175.267 175.328 0.014 0.000 1.148 156 H CA 0.240 56.297 56.048 0.015 0.000 1.031 156 H CB 0.351 30.121 29.762 0.014 0.000 1.691 156 H HN 0.056 nan 8.280 nan 0.000 0.588 157 T N -1.984 112.614 114.554 0.074 0.000 2.903 157 T HA 0.495 4.845 4.350 -0.000 0.000 0.299 157 T C -3.228 171.482 174.700 0.017 0.000 1.093 157 T CA -2.422 59.705 62.100 0.045 0.000 1.002 157 T CB 3.091 71.975 68.868 0.026 0.000 1.127 157 T HN -0.239 nan 8.240 nan 0.000 0.488 158 P HA 0.266 nan 4.420 nan 0.000 0.271 158 P C 0.059 177.381 177.300 0.037 0.000 1.216 158 P CA -0.286 62.826 63.100 0.020 0.000 0.771 158 P CB 0.549 32.252 31.700 0.006 0.000 0.864 159 S N 2.096 117.820 115.700 0.040 0.000 2.632 159 S HA 0.435 4.904 4.470 -0.000 0.000 0.267 159 S C 1.490 176.108 174.600 0.029 0.000 1.276 159 S CA -0.029 58.197 58.200 0.042 0.000 0.998 159 S CB 0.696 63.922 63.200 0.043 0.000 0.953 159 S HN 0.429 nan 8.310 nan 0.000 0.547 160 A N 0.831 123.667 122.820 0.027 0.000 1.908 160 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 160 A C 2.051 179.645 177.584 0.017 0.000 1.181 160 A CA 1.732 53.781 52.037 0.020 0.000 0.627 160 A CB -1.117 17.894 19.000 0.019 0.000 0.818 160 A HN 0.973 nan 8.150 nan 0.000 0.445 161 L N -0.242 120.992 121.223 0.018 0.000 2.017 161 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 161 L C 2.657 179.539 176.870 0.019 0.000 1.073 161 L CA 2.352 57.203 54.840 0.018 0.000 0.745 161 L CB -0.883 41.188 42.059 0.019 0.000 0.894 161 L HN 0.335 nan 8.230 nan 0.000 0.432 162 A N -0.189 122.644 122.820 0.021 0.000 1.908 162 A HA -0.195 4.124 4.320 -0.000 0.000 0.218 162 A C 2.278 179.870 177.584 0.014 0.000 1.181 162 A CA 2.222 54.271 52.037 0.020 0.000 0.627 162 A CB -0.926 18.087 19.000 0.021 0.000 0.818 162 A HN 0.550 nan 8.150 nan 0.000 0.445 163 I N -1.038 119.538 120.570 0.009 0.000 2.202 163 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 163 I C 2.769 178.883 176.117 -0.005 0.000 1.091 163 I CA 1.609 62.908 61.300 -0.001 0.000 1.368 163 I CB -0.352 37.645 38.000 -0.005 0.000 1.058 163 I HN 0.392 nan 8.210 nan 0.000 0.410 164 M N 0.980 120.581 119.600 0.001 0.000 2.086 164 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 164 M C 2.230 178.532 176.300 0.002 0.000 1.067 164 M CA 2.138 57.440 55.300 0.002 0.000 1.116 164 M CB -0.710 31.896 32.600 0.009 0.000 1.348 164 M HN 0.168 nan 8.290 nan 0.000 0.407 165 E N 0.791 120.998 120.200 0.011 0.000 2.051 165 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 165 E C 1.647 178.256 176.600 0.014 0.000 0.991 165 E CA 1.933 58.344 56.400 0.018 0.000 0.799 165 E CB -0.556 29.160 29.700 0.028 0.000 0.748 165 E HN 0.565 nan 8.360 nan 0.000 0.449 166 N N 0.078 118.788 118.700 0.017 0.000 2.188 166 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 166 N C 1.659 177.156 175.510 -0.022 0.000 1.018 166 N CA 1.379 54.444 53.050 0.026 0.000 0.858 166 N CB -0.237 38.269 38.487 0.031 0.000 0.989 166 N HN 0.325 nan 8.380 nan 0.000 0.426 167 A N 1.239 124.032 122.820 -0.046 0.000 1.930 167 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 167 A C 2.115 179.617 177.584 -0.137 0.000 1.175 167 A CA 1.513 53.494 52.037 -0.094 0.000 0.627 167 A CB -0.684 18.270 19.000 -0.078 0.000 0.815 167 A HN 0.306 nan 8.150 nan 0.000 0.443 168 N N -0.421 118.221 118.700 -0.097 0.000 2.142 168 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 168 N C 1.551 176.923 175.510 -0.230 0.000 1.023 168 N CA 1.520 54.491 53.050 -0.132 0.000 0.852 168 N CB -0.273 38.208 38.487 -0.010 0.000 0.998 168 N HN 0.141 nan 8.380 nan 0.000 0.424 169 V N 0.390 120.219 119.914 -0.142 0.000 2.427 169 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 169 V C 2.012 177.867 176.094 -0.398 0.000 1.051 169 V CA 1.255 63.446 62.300 -0.182 0.000 1.048 169 V CB -0.363 31.468 31.823 0.013 0.000 0.666 169 V HN 0.358 nan 8.190 nan 0.000 0.456 170 L N -0.039 120.987 121.223 -0.329 0.000 2.083 170 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 170 L C 2.743 179.429 176.870 -0.307 0.000 1.083 170 L CA 1.622 56.255 54.840 -0.346 0.000 0.752 170 L CB -0.769 41.180 42.059 -0.184 0.000 0.899 170 L HN 0.428 nan 8.230 nan 0.000 0.433 171 A N -0.414 122.166 122.820 -0.400 0.000 1.902 171 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 171 A C 2.367 179.645 177.584 -0.510 0.000 1.181 171 A CA 1.150 52.883 52.037 -0.508 0.000 0.623 171 A CB -0.352 18.163 19.000 -0.808 0.000 0.818 171 A HN 0.226 nan 8.150 nan 0.000 0.443 172 R N -1.343 118.850 120.500 -0.511 0.000 2.081 172 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 172 R C 2.102 178.251 176.300 -0.252 0.000 1.131 172 R CA 1.804 57.735 56.100 -0.281 0.000 0.960 172 R CB -1.157 29.028 30.300 -0.192 0.000 0.856 172 R HN 0.794 nan 8.270 nan 0.000 0.436 173 Y N 1.055 121.040 120.300 -0.526 0.000 2.181 173 Y HA -0.165 4.384 4.550 -0.001 0.000 0.288 173 Y C 2.155 177.891 175.900 -0.274 0.000 1.146 173 Y CA 1.377 59.152 58.100 -0.540 0.000 1.164 173 Y CB -0.552 37.231 38.460 -1.129 0.000 0.982 173 Y HN 0.035 nan 8.280 nan 0.000 0.515 174 A N -0.323 122.070 122.820 -0.711 0.000 1.902 174 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 174 A C 2.544 179.926 177.584 -0.336 0.000 1.181 174 A CA 1.990 53.647 52.037 -0.633 0.000 0.623 174 A CB -1.507 17.279 19.000 -0.357 0.000 0.818 174 A HN 0.564 nan 8.150 nan 0.000 0.443 175 S N -0.390 115.181 115.700 -0.216 0.000 2.356 175 S HA -0.132 4.337 4.470 -0.000 0.000 0.223 175 S C 1.908 176.463 174.600 -0.076 0.000 1.032 175 S CA 1.533 59.681 58.200 -0.086 0.000 1.005 175 S CB -0.520 62.672 63.200 -0.014 0.000 0.867 175 S HN 0.481 nan 8.310 nan 0.000 0.449 176 I N 0.817 121.329 120.570 -0.098 0.000 2.252 176 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 176 I C 2.572 178.660 176.117 -0.049 0.000 1.102 176 I CA 0.790 62.062 61.300 -0.046 0.000 1.385 176 I CB -0.525 37.468 38.000 -0.012 0.000 1.064 176 I HN 0.421 nan 8.210 nan 0.000 0.414 177 C N 0.448 119.670 119.300 -0.130 0.000 2.413 177 C HA -0.191 4.269 4.460 -0.000 0.000 0.277 177 C C 2.835 177.799 174.990 -0.044 0.000 1.228 177 C CA 0.938 59.897 59.018 -0.098 0.000 1.731 177 C CB -1.111 26.483 27.740 -0.244 0.000 2.042 177 C HN 0.516 nan 8.230 nan 0.000 0.468 178 Q N -0.174 119.592 119.800 -0.057 0.000 2.226 178 Q HA -0.191 4.148 4.340 -0.000 0.000 0.204 178 Q C 2.167 178.172 176.000 0.007 0.000 0.975 178 Q CA 0.983 56.785 55.803 -0.001 0.000 0.866 178 Q CB -0.255 28.497 28.738 0.024 0.000 0.915 178 Q HN 0.678 nan 8.270 nan 0.000 0.440 179 Q N 0.094 119.894 119.800 0.000 0.000 2.369 179 Q HA -0.007 4.333 4.340 -0.000 0.000 0.206 179 Q C 0.681 176.689 176.000 0.012 0.000 0.963 179 Q CA 0.723 56.530 55.803 0.007 0.000 0.894 179 Q CB 0.221 28.963 28.738 0.008 0.000 0.965 179 Q HN 0.413 nan 8.270 nan 0.000 0.475 180 N N -0.773 117.938 118.700 0.019 0.000 2.235 180 N HA 0.116 4.856 4.740 -0.000 0.000 0.231 180 N C 0.358 175.892 175.510 0.039 0.000 1.177 180 N CA 0.582 53.651 53.050 0.031 0.000 0.874 180 N CB 1.477 39.989 38.487 0.042 0.000 1.097 180 N HN 0.236 nan 8.380 nan 0.000 0.518 181 G N 1.174 109.995 108.800 0.035 0.000 2.153 181 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.252 181 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.252 181 G C -0.088 174.850 174.900 0.063 0.000 0.994 181 G CA -0.087 45.041 45.100 0.046 0.000 0.698 181 G HN 0.250 nan 8.290 nan 0.000 0.521 182 I N 0.950 121.557 120.570 0.061 0.000 2.354 182 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 182 I C 0.778 176.939 176.117 0.074 0.000 0.989 182 I CA -1.125 60.223 61.300 0.080 0.000 1.188 182 I CB 1.583 39.632 38.000 0.081 0.000 1.342 182 I HN -0.141 nan 8.210 nan 0.000 0.457 183 V N 9.535 129.523 119.914 0.123 0.000 2.439 183 V HA 0.170 4.290 4.120 -0.000 0.000 0.271 183 V C -1.887 174.277 176.094 0.116 0.000 1.040 183 V CA -1.096 61.265 62.300 0.102 0.000 1.002 183 V CB 0.892 32.773 31.823 0.098 0.000 1.000 183 V HN 0.567 nan 8.190 nan 0.000 0.477 184 P HA 0.370 nan 4.420 nan 0.000 0.293 184 P C -0.622 176.747 177.300 0.114 0.000 1.300 184 P CA -0.326 62.765 63.100 -0.014 0.000 0.792 184 P CB 1.267 32.704 31.700 -0.439 0.000 0.925 185 I N 3.843 124.586 120.570 0.289 0.000 2.312 185 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 185 I C 0.354 176.631 176.117 0.268 0.000 1.031 185 I CA -0.908 60.511 61.300 0.198 0.000 1.293 185 I CB 1.457 39.578 38.000 0.201 0.000 1.403 185 I HN 0.030 nan 8.210 nan 0.000 0.484 186 V N 6.852 126.850 119.914 0.140 0.000 2.389 186 V HA 0.121 4.241 4.120 -0.000 0.000 0.264 186 V C 0.390 176.510 176.094 0.045 0.000 1.049 186 V CA -0.292 62.074 62.300 0.110 0.000 0.932 186 V CB 0.822 32.625 31.823 -0.033 0.000 1.011 186 V HN 0.712 nan 8.190 nan 0.000 0.475 187 E N 8.424 128.669 120.200 0.075 0.000 2.256 187 E HA 0.352 4.702 4.350 -0.000 0.000 0.243 187 E C -2.566 174.060 176.600 0.044 0.000 0.925 187 E CA -1.928 54.501 56.400 0.048 0.000 0.748 187 E CB 1.696 31.433 29.700 0.061 0.000 1.206 187 E HN 0.453 nan 8.360 nan 0.000 0.428 188 P HA 0.179 nan 4.420 nan 0.000 0.212 188 P C -0.842 176.466 177.300 0.014 0.000 1.860 188 P CA -0.349 62.755 63.100 0.006 0.000 1.135 188 P CB 0.204 31.885 31.700 -0.031 0.000 1.801 189 E N 3.457 123.672 120.200 0.026 0.000 2.290 189 E HA 0.196 4.546 4.350 -0.000 0.000 0.277 189 E C -0.652 175.961 176.600 0.022 0.000 1.035 189 E CA -0.449 55.969 56.400 0.031 0.000 0.873 189 E CB 0.361 30.084 29.700 0.037 0.000 1.029 189 E HN 0.353 nan 8.360 nan 0.000 0.419 190 I N 6.464 127.047 120.570 0.021 0.000 2.307 190 I HA 0.155 4.324 4.170 -0.000 0.000 0.289 190 I C 0.135 176.260 176.117 0.014 0.000 1.021 190 I CA -0.698 60.606 61.300 0.006 0.000 1.224 190 I CB 0.796 38.792 38.000 -0.006 0.000 1.376 190 I HN 0.500 nan 8.210 nan 0.000 0.470 191 L N 8.459 129.691 121.223 0.015 0.000 2.506 191 L HA 0.082 4.422 4.340 -0.000 0.000 0.281 191 L C -1.036 175.853 176.870 0.031 0.000 1.228 191 L CA -0.846 54.011 54.840 0.029 0.000 0.850 191 L CB 0.197 42.279 42.059 0.039 0.000 1.110 191 L HN 0.472 nan 8.230 nan 0.000 0.496 192 P HA 0.008 nan 4.420 nan 0.000 0.251 192 P C -0.315 176.936 177.300 -0.081 0.000 1.223 192 P CA 0.064 63.086 63.100 -0.129 0.000 0.796 192 P CB 0.237 31.654 31.700 -0.472 0.000 1.068 193 D N 1.391 121.839 120.400 0.081 0.000 2.488 193 D HA 0.308 4.948 4.640 -0.000 0.000 0.238 193 D C 1.289 177.703 176.300 0.191 0.000 1.138 193 D CA 1.571 55.661 54.000 0.149 0.000 0.873 193 D CB 0.557 41.434 40.800 0.129 0.000 1.183 193 D HN 0.209 nan 8.370 nan 0.000 0.458 194 G N 2.037 110.910 108.800 0.122 0.000 2.381 194 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.672 194 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.672 194 G C -0.236 174.646 174.900 -0.031 0.000 1.324 194 G CA -0.172 45.002 45.100 0.123 0.000 0.975 194 G HN 0.505 nan 8.290 nan 0.000 0.593 195 D N -0.623 119.780 120.400 0.005 0.000 2.388 195 D HA 0.047 4.687 4.640 -0.000 0.000 0.221 195 D C 0.902 177.160 176.300 -0.070 0.000 1.133 195 D CA 0.164 54.131 54.000 -0.055 0.000 0.831 195 D CB -0.586 40.214 40.800 0.000 0.000 0.962 195 D HN 0.827 nan 8.370 nan 0.000 0.502 196 H N 0.547 119.628 119.070 0.018 0.000 2.757 196 H HA 0.235 4.790 4.556 -0.000 0.000 0.370 196 H C -0.074 175.275 175.328 0.034 0.000 1.172 196 H CA -0.079 55.980 56.048 0.019 0.000 1.426 196 H CB 0.504 30.271 29.762 0.008 0.000 1.438 196 H HN 0.036 nan 8.280 nan 0.000 0.612 197 D N 0.963 121.436 120.400 0.122 0.000 2.506 197 D HA 0.023 4.663 4.640 -0.000 0.000 0.272 197 D C 1.401 177.723 176.300 0.036 0.000 1.214 197 D CA -0.874 53.191 54.000 0.108 0.000 1.067 197 D CB 0.742 41.655 40.800 0.188 0.000 1.117 197 D HN 0.420 nan 8.370 nan 0.000 0.578 198 L N -0.120 120.994 121.223 -0.181 0.000 2.017 198 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 198 L C 2.224 179.049 176.870 -0.074 0.000 1.073 198 L CA 2.199 56.831 54.840 -0.347 0.000 0.745 198 L CB -0.936 40.569 42.059 -0.924 0.000 0.894 198 L HN 0.665 nan 8.230 nan 0.000 0.432 199 K N -1.227 119.169 120.400 -0.006 0.000 2.148 199 K HA -0.228 4.092 4.320 -0.000 0.000 0.204 199 K C 2.233 178.888 176.600 0.093 0.000 1.050 199 K CA 1.360 57.678 56.287 0.051 0.000 0.942 199 K CB -0.427 32.092 32.500 0.032 0.000 0.724 199 K HN 0.125 nan 8.250 nan 0.000 0.446 200 R N 1.496 122.050 120.500 0.091 0.000 2.075 200 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 200 R C 2.279 178.647 176.300 0.113 0.000 1.126 200 R CA 1.702 57.864 56.100 0.103 0.000 0.963 200 R CB -1.164 29.204 30.300 0.113 0.000 0.858 200 R HN 0.464 nan 8.270 nan 0.000 0.435 201 C N 0.290 119.660 119.300 0.117 0.000 2.429 201 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 201 C C 2.647 177.679 174.990 0.070 0.000 1.262 201 C CA 1.294 60.353 59.018 0.069 0.000 1.733 201 C CB -0.917 26.888 27.740 0.108 0.000 2.010 201 C HN 0.672 nan 8.230 nan 0.000 0.483 202 Q N -1.423 118.432 119.800 0.092 0.000 2.084 202 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 202 Q C 2.072 178.144 176.000 0.120 0.000 0.978 202 Q CA 2.179 58.043 55.803 0.102 0.000 0.844 202 Q CB -0.475 28.342 28.738 0.130 0.000 0.898 202 Q HN 0.872 nan 8.270 nan 0.000 0.426 203 Y N 0.246 120.564 120.300 0.029 0.000 2.114 203 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 203 Y C 2.033 177.942 175.900 0.014 0.000 1.143 203 Y CA 1.724 59.840 58.100 0.026 0.000 1.135 203 Y CB -0.340 38.132 38.460 0.020 0.000 0.980 203 Y HN -0.064 nan 8.280 nan 0.000 0.499 204 V N -0.569 119.400 119.914 0.092 0.000 2.343 204 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 204 V C 2.252 178.312 176.094 -0.056 0.000 1.051 204 V CA 2.421 64.716 62.300 -0.008 0.000 1.036 204 V CB -1.198 30.631 31.823 0.010 0.000 0.654 204 V HN 0.476 nan 8.190 nan 0.000 0.451 205 T N -0.513 114.029 114.554 -0.020 0.000 2.746 205 T HA -0.214 4.135 4.350 -0.000 0.000 0.267 205 T C 1.824 176.506 174.700 -0.030 0.000 1.039 205 T CA 1.691 63.784 62.100 -0.012 0.000 1.142 205 T CB -0.231 68.649 68.868 0.020 0.000 0.866 205 T HN 0.582 nan 8.240 nan 0.000 0.444 206 E N 0.505 120.672 120.200 -0.056 0.000 2.077 206 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 206 E C 2.399 178.935 176.600 -0.107 0.000 0.989 206 E CA 0.783 57.142 56.400 -0.069 0.000 0.800 206 E CB 0.062 29.710 29.700 -0.086 0.000 0.746 206 E HN 0.209 nan 8.360 nan 0.000 0.452 207 K N 0.387 120.669 120.400 -0.196 0.000 2.057 207 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 207 K C 2.200 178.749 176.600 -0.085 0.000 1.050 207 K CA 0.622 56.803 56.287 -0.177 0.000 0.935 207 K CB -0.563 31.781 32.500 -0.259 0.000 0.715 207 K HN 0.061 nan 8.250 nan 0.000 0.439 208 V N 1.937 121.810 119.914 -0.067 0.000 2.307 208 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 208 V C 2.440 178.516 176.094 -0.030 0.000 1.045 208 V CA 1.390 63.665 62.300 -0.042 0.000 1.024 208 V CB -0.423 31.380 31.823 -0.033 0.000 0.651 208 V HN 0.181 nan 8.190 nan 0.000 0.449 209 L N -0.018 121.202 121.223 -0.006 0.000 2.131 209 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 209 L C 2.683 179.624 176.870 0.118 0.000 1.092 209 L CA 1.395 56.267 54.840 0.054 0.000 0.759 209 L CB -0.763 41.353 42.059 0.094 0.000 0.903 209 L HN 0.375 nan 8.230 nan 0.000 0.435 210 A N 0.076 122.935 122.820 0.064 0.000 1.930 210 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 210 A C 2.529 180.144 177.584 0.053 0.000 1.175 210 A CA 1.614 53.695 52.037 0.074 0.000 0.627 210 A CB -0.542 18.470 19.000 0.021 0.000 0.815 210 A HN 0.389 nan 8.150 nan 0.000 0.443 211 A N -0.643 122.180 122.820 0.005 0.000 1.930 211 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 211 A C 2.212 179.767 177.584 -0.049 0.000 1.175 211 A CA 1.577 53.606 52.037 -0.014 0.000 0.627 211 A CB -0.829 18.156 19.000 -0.025 0.000 0.815 211 A HN 0.333 nan 8.150 nan 0.000 0.443 212 V N -1.384 118.470 119.914 -0.101 0.000 2.295 212 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 212 V C 2.365 178.256 176.094 -0.338 0.000 1.049 212 V CA 2.048 64.200 62.300 -0.246 0.000 1.024 212 V CB -0.978 30.630 31.823 -0.359 0.000 0.648 212 V HN 0.671 nan 8.190 nan 0.000 0.447 213 Y N 0.158 120.436 120.300 -0.035 0.000 2.373 213 Y HA -0.121 4.429 4.550 -0.000 0.000 0.293 213 Y C 2.376 178.270 175.900 -0.010 0.000 1.129 213 Y CA 1.508 59.592 58.100 -0.027 0.000 1.226 213 Y CB -0.321 38.125 38.460 -0.024 0.000 1.000 213 Y HN 0.170 nan 8.280 nan 0.000 0.549 214 K N 0.846 121.298 120.400 0.087 0.000 2.097 214 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 214 K C 2.115 178.738 176.600 0.038 0.000 1.050 214 K CA 1.363 57.687 56.287 0.062 0.000 0.938 214 K CB -0.577 31.948 32.500 0.042 0.000 0.718 214 K HN 0.146 nan 8.250 nan 0.000 0.442 215 A N 0.800 123.622 122.820 0.003 0.000 1.898 215 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 215 A C 2.217 179.820 177.584 0.031 0.000 1.181 215 A CA 1.486 53.536 52.037 0.022 0.000 0.620 215 A CB -0.675 18.288 19.000 -0.062 0.000 0.819 215 A HN 0.310 nan 8.150 nan 0.000 0.442 216 L N -0.568 120.623 121.223 -0.054 0.000 2.083 216 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 216 L C 2.914 179.809 176.870 0.042 0.000 1.083 216 L CA 1.530 56.346 54.840 -0.040 0.000 0.752 216 L CB -0.531 41.483 42.059 -0.074 0.000 0.899 216 L HN 0.531 nan 8.230 nan 0.000 0.433 217 S N -0.078 115.660 115.700 0.063 0.000 2.355 217 S HA -0.198 4.272 4.470 -0.000 0.000 0.222 217 S C 1.604 176.203 174.600 -0.002 0.000 1.031 217 S CA 1.616 59.859 58.200 0.070 0.000 0.993 217 S CB -0.182 63.066 63.200 0.081 0.000 0.859 217 S HN 0.390 nan 8.310 nan 0.000 0.453 218 D N 0.502 120.887 120.400 -0.025 0.000 2.182 218 D HA -0.068 4.571 4.640 -0.000 0.000 0.201 218 D C 1.310 177.327 176.300 -0.472 0.000 0.986 218 D CA 1.102 55.006 54.000 -0.160 0.000 0.847 218 D CB -0.438 40.317 40.800 -0.076 0.000 0.942 218 D HN 0.627 nan 8.370 nan 0.000 0.467 219 H N -0.141 118.718 119.070 -0.351 0.000 2.524 219 H HA 0.046 4.602 4.556 -0.001 0.000 0.280 219 H C -0.031 175.105 175.328 -0.319 0.000 1.018 219 H CA 0.095 55.920 56.048 -0.371 0.000 1.165 219 H CB 0.121 29.777 29.762 -0.177 0.000 1.411 219 H HN 0.275 nan 8.280 nan 0.000 0.569 220 H N -0.593 118.540 119.070 0.105 0.000 2.770 220 H HA -0.152 4.404 4.556 -0.001 0.000 0.309 220 H C 0.191 175.578 175.328 0.098 0.000 1.206 220 H CA 0.302 56.403 56.048 0.088 0.000 1.147 220 H CB -2.175 27.627 29.762 0.067 0.000 1.422 220 H HN 0.293 nan 8.280 nan 0.000 0.420 221 I N 0.799 121.459 120.570 0.149 0.000 2.496 221 I HA -0.052 4.118 4.170 -0.000 0.000 0.285 221 I C 1.175 177.399 176.117 0.180 0.000 1.080 221 I CA -0.441 60.931 61.300 0.122 0.000 1.404 221 I CB -0.126 37.895 38.000 0.035 0.000 1.403 221 I HN 0.156 nan 8.210 nan 0.000 0.539 222 Y N 6.834 127.161 120.300 0.044 0.000 2.613 222 Y HA 0.199 4.749 4.550 -0.000 0.000 0.354 222 Y C 0.898 176.824 175.900 0.044 0.000 1.063 222 Y CA -0.168 57.960 58.100 0.046 0.000 1.384 222 Y CB 0.362 38.843 38.460 0.035 0.000 1.199 222 Y HN 0.515 nan 8.280 nan 0.000 0.517 223 L N 3.105 124.237 121.223 -0.152 0.000 2.043 223 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 223 L C 1.647 178.311 176.870 -0.343 0.000 1.075 223 L CA 1.646 56.387 54.840 -0.166 0.000 0.752 223 L CB -0.218 41.812 42.059 -0.049 0.000 0.891 223 L HN 0.514 nan 8.230 nan 0.000 0.432 224 E N 0.159 119.950 120.200 -0.682 0.000 2.333 224 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 224 E C 1.646 177.974 176.600 -0.453 0.000 1.007 224 E CA 0.983 57.047 56.400 -0.559 0.000 0.845 224 E CB -0.223 29.136 29.700 -0.569 0.000 0.766 224 E HN 0.436 nan 8.360 nan 0.000 0.507 225 G N 0.568 109.033 108.800 -0.558 0.000 3.702 225 G HA2 0.178 4.137 3.960 -0.000 0.000 0.288 225 G HA3 0.178 4.137 3.960 -0.000 0.000 0.288 225 G C -0.102 174.770 174.900 -0.047 0.000 1.193 225 G CA 0.223 45.281 45.100 -0.071 0.000 0.952 225 G HN 0.209 nan 8.290 nan 0.000 0.544 226 T N -2.457 112.032 114.554 -0.109 0.000 2.841 226 T HA 0.767 5.117 4.350 -0.000 0.000 0.296 226 T C -0.906 173.733 174.700 -0.102 0.000 1.166 226 T CA -0.824 61.231 62.100 -0.075 0.000 1.007 226 T CB 2.228 71.064 68.868 -0.054 0.000 1.253 226 T HN -0.031 nan 8.240 nan 0.000 0.511 227 L N 0.493 121.663 121.223 -0.088 0.000 2.376 227 L HA 0.760 5.100 4.340 -0.000 0.000 0.258 227 L C -1.502 175.308 176.870 -0.101 0.000 1.013 227 L CA -1.348 53.413 54.840 -0.132 0.000 0.822 227 L CB 2.290 44.242 42.059 -0.178 0.000 1.388 227 L HN 0.663 nan 8.230 nan 0.000 0.413 228 L N 2.017 123.146 121.223 -0.156 0.000 2.341 228 L HA 0.464 4.803 4.340 -0.000 0.000 0.278 228 L C -0.613 176.138 176.870 -0.199 0.000 1.005 228 L CA -0.119 54.634 54.840 -0.145 0.000 0.818 228 L CB 1.388 43.354 42.059 -0.155 0.000 1.259 228 L HN 0.501 nan 8.230 nan 0.000 0.418 229 K N 7.309 127.637 120.400 -0.120 0.000 2.484 229 K HA 0.528 4.848 4.320 -0.000 0.000 0.226 229 K C -2.771 173.798 176.600 -0.052 0.000 1.031 229 K CA -1.570 54.659 56.287 -0.097 0.000 1.026 229 K CB 1.002 33.495 32.500 -0.013 0.000 1.412 229 K HN 0.427 nan 8.250 nan 0.000 0.492 230 P HA 0.202 nan 4.420 nan 0.000 0.288 230 P C -1.247 176.149 177.300 0.161 0.000 1.297 230 P CA -0.764 62.346 63.100 0.017 0.000 0.864 230 P CB 1.060 32.746 31.700 -0.023 0.000 1.237 231 N N 0.559 119.351 118.700 0.153 0.000 2.513 231 N HA 0.180 4.920 4.740 -0.000 0.000 0.274 231 N C 0.179 175.829 175.510 0.233 0.000 1.189 231 N CA -0.289 52.864 53.050 0.173 0.000 0.975 231 N CB 0.460 39.001 38.487 0.090 0.000 1.157 231 N HN 0.395 nan 8.380 nan 0.000 0.465 232 M N 0.503 120.199 119.600 0.159 0.000 2.202 232 M HA 0.139 4.618 4.480 -0.000 0.000 0.316 232 M C -0.105 176.205 176.300 0.017 0.000 1.138 232 M CA -0.704 54.600 55.300 0.007 0.000 1.151 232 M CB 1.029 33.523 32.600 -0.177 0.000 1.422 232 M HN 0.217 nan 8.290 nan 0.000 0.471 233 V N 1.790 121.700 119.914 -0.007 0.000 2.389 233 V HA 0.308 4.428 4.120 -0.000 0.000 0.264 233 V C 0.337 176.403 176.094 -0.046 0.000 1.049 233 V CA -0.187 62.112 62.300 -0.002 0.000 0.932 233 V CB 0.116 31.948 31.823 0.015 0.000 1.011 233 V HN 0.996 nan 8.190 nan 0.000 0.475 234 T N 4.193 118.718 114.554 -0.049 0.000 2.883 234 T HA 0.672 5.022 4.350 -0.000 0.000 0.296 234 T C -3.022 171.608 174.700 -0.116 0.000 1.117 234 T CA -2.104 59.937 62.100 -0.098 0.000 1.006 234 T CB 2.702 71.527 68.868 -0.071 0.000 1.191 234 T HN 0.372 nan 8.240 nan 0.000 0.508 235 P HA 0.339 nan 4.420 nan 0.000 0.274 235 P C 0.562 177.704 177.300 -0.263 0.000 1.256 235 P CA -0.068 62.925 63.100 -0.179 0.000 0.795 235 P CB 0.163 31.834 31.700 -0.050 0.000 1.038 236 G N -0.079 108.353 108.800 -0.612 0.000 2.594 236 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.243 236 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.243 236 G C 0.985 175.709 174.900 -0.293 0.000 1.229 236 G CA -0.118 44.513 45.100 -0.781 0.000 0.843 236 G HN 0.566 nan 8.290 nan 0.000 0.578 237 H N 1.329 120.323 119.070 -0.126 0.000 2.387 237 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 237 H C 2.535 177.830 175.328 -0.055 0.000 1.090 237 H CA 1.532 57.545 56.048 -0.058 0.000 1.332 237 H CB -0.093 29.655 29.762 -0.024 0.000 1.386 237 H HN 0.483 nan 8.280 nan 0.000 0.516 238 A N 0.161 123.011 122.820 0.050 0.000 2.337 238 A HA 0.095 4.415 4.320 -0.000 0.000 0.227 238 A C 0.922 178.499 177.584 -0.012 0.000 1.259 238 A CA -0.262 51.786 52.037 0.019 0.000 0.870 238 A CB -0.589 18.423 19.000 0.019 0.000 0.927 238 A HN 0.372 nan 8.150 nan 0.000 0.497 239 C N 1.639 120.917 119.300 -0.038 0.000 2.648 239 C HA 0.310 4.770 4.460 -0.000 0.000 0.415 239 C C 2.338 177.332 174.990 0.008 0.000 1.366 239 C CA 0.684 59.689 59.018 -0.021 0.000 1.756 239 C CB -0.517 27.215 27.740 -0.014 0.000 2.549 239 C HN 0.699 nan 8.230 nan 0.000 0.597 240 T N 2.093 116.647 114.554 -0.000 0.000 2.904 240 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 240 T C 0.803 175.480 174.700 -0.038 0.000 1.059 240 T CA 0.824 62.915 62.100 -0.014 0.000 1.137 240 T CB -0.191 68.666 68.868 -0.017 0.000 0.879 240 T HN 0.868 nan 8.240 nan 0.000 0.467 241 Q N 1.305 121.077 119.800 -0.048 0.000 2.352 241 Q HA 0.223 4.562 4.340 -0.000 0.000 0.260 241 Q C -0.734 175.124 176.000 -0.238 0.000 0.976 241 Q CA -0.449 55.255 55.803 -0.166 0.000 0.881 241 Q CB 0.530 29.144 28.738 -0.207 0.000 1.235 241 Q HN 0.097 nan 8.270 nan 0.000 0.419 242 K N 2.788 122.981 120.400 -0.345 0.000 2.118 242 K HA 0.394 4.714 4.320 -0.000 0.000 0.254 242 K C -1.266 175.023 176.600 -0.518 0.000 0.961 242 K CA -0.366 55.761 56.287 -0.267 0.000 0.876 242 K CB 1.113 33.526 32.500 -0.144 0.000 1.077 242 K HN 0.525 nan 8.250 nan 0.000 0.440 243 Y N -1.079 119.192 120.300 -0.049 0.000 2.553 243 Y HA 0.220 4.770 4.550 -0.000 0.000 0.347 243 Y C 0.693 176.530 175.900 -0.104 0.000 1.019 243 Y CA -0.861 57.212 58.100 -0.045 0.000 1.032 243 Y CB 1.935 40.385 38.460 -0.016 0.000 1.284 243 Y HN 0.615 nan 8.280 nan 0.000 0.466 244 S N -0.205 115.539 115.700 0.074 0.000 2.681 244 S HA 0.225 4.695 4.470 -0.000 0.000 0.270 244 S C 0.503 175.056 174.600 -0.079 0.000 1.209 244 S CA -0.539 57.618 58.200 -0.072 0.000 0.988 244 S CB 0.613 63.814 63.200 0.003 0.000 1.006 244 S HN 0.763 nan 8.310 nan 0.000 0.558 245 H N 0.532 119.644 119.070 0.069 0.000 2.423 245 H HA 0.028 4.584 4.556 -0.000 0.000 0.297 245 H C 1.656 177.003 175.328 0.033 0.000 1.075 245 H CA 1.626 57.700 56.048 0.044 0.000 1.342 245 H CB -0.257 29.528 29.762 0.038 0.000 1.395 245 H HN 0.678 nan 8.280 nan 0.000 0.530 246 E N 0.983 121.266 120.200 0.139 0.000 2.106 246 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 246 E C 2.143 178.779 176.600 0.061 0.000 0.984 246 E CA 0.767 57.218 56.400 0.084 0.000 0.806 246 E CB -0.036 29.710 29.700 0.077 0.000 0.750 246 E HN 0.600 nan 8.360 nan 0.000 0.458 247 E N 0.010 120.278 120.200 0.113 0.000 2.107 247 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 247 E C 2.058 178.713 176.600 0.092 0.000 0.982 247 E CA 0.574 57.083 56.400 0.183 0.000 0.809 247 E CB -0.069 29.815 29.700 0.308 0.000 0.756 247 E HN 0.261 nan 8.360 nan 0.000 0.459 248 I N 1.228 121.828 120.570 0.051 0.000 2.315 248 I HA -0.239 3.930 4.170 -0.000 0.000 0.248 248 I C 2.503 178.594 176.117 -0.043 0.000 1.117 248 I CA 0.805 62.100 61.300 -0.009 0.000 1.404 248 I CB -0.198 37.808 38.000 0.009 0.000 1.071 248 I HN 0.080 nan 8.210 nan 0.000 0.419 249 A N 0.263 123.063 122.820 -0.034 0.000 1.898 249 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 249 A C 2.249 179.768 177.584 -0.109 0.000 1.181 249 A CA 1.619 53.618 52.037 -0.063 0.000 0.620 249 A CB -0.529 18.455 19.000 -0.027 0.000 0.819 249 A HN 0.349 nan 8.150 nan 0.000 0.442 250 M N 0.369 119.854 119.600 -0.192 0.000 2.117 250 M HA -0.026 4.454 4.480 -0.000 0.000 0.262 250 M C 2.136 178.163 176.300 -0.456 0.000 1.065 250 M CA 1.774 56.822 55.300 -0.420 0.000 1.114 250 M CB -0.651 31.487 32.600 -0.770 0.000 1.361 250 M HN 0.366 nan 8.290 nan 0.000 0.408 251 A N -1.305 121.335 122.820 -0.301 0.000 1.902 251 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 251 A C 2.199 179.778 177.584 -0.010 0.000 1.181 251 A CA 2.266 54.283 52.037 -0.034 0.000 0.623 251 A CB -1.375 17.693 19.000 0.113 0.000 0.818 251 A HN 0.564 nan 8.150 nan 0.000 0.443 252 T N -0.303 114.233 114.554 -0.029 0.000 2.674 252 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 252 T C 1.884 176.623 174.700 0.065 0.000 1.039 252 T CA 1.711 63.819 62.100 0.013 0.000 1.150 252 T CB -0.468 68.364 68.868 -0.060 0.000 0.864 252 T HN 0.143 nan 8.240 nan 0.000 0.427 253 V N 1.520 121.462 119.914 0.047 0.000 2.515 253 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 253 V C 2.751 178.910 176.094 0.109 0.000 1.058 253 V CA 1.848 64.219 62.300 0.119 0.000 1.064 253 V CB -1.109 30.765 31.823 0.086 0.000 0.675 253 V HN 0.539 nan 8.190 nan 0.000 0.461 254 T N 0.444 115.014 114.554 0.026 0.000 2.737 254 T HA -0.130 4.219 4.350 -0.000 0.000 0.265 254 T C 2.127 176.878 174.700 0.085 0.000 1.038 254 T CA 1.603 63.729 62.100 0.043 0.000 1.144 254 T CB -0.423 68.452 68.868 0.012 0.000 0.866 254 T HN 0.564 nan 8.240 nan 0.000 0.434 255 A N 1.328 124.194 122.820 0.077 0.000 1.908 255 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 255 A C 2.306 179.928 177.584 0.063 0.000 1.181 255 A CA 1.399 53.478 52.037 0.070 0.000 0.627 255 A CB -0.913 18.124 19.000 0.062 0.000 0.818 255 A HN 0.487 nan 8.150 nan 0.000 0.445 256 L N -1.512 119.751 121.223 0.066 0.000 2.056 256 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 256 L C 2.816 179.797 176.870 0.184 0.000 1.078 256 L CA 1.404 56.241 54.840 -0.005 0.000 0.749 256 L CB -0.497 41.452 42.059 -0.184 0.000 0.901 256 L HN 0.325 nan 8.230 nan 0.000 0.433 257 R N 0.030 120.727 120.500 0.328 0.000 2.159 257 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 257 R C 2.210 178.615 176.300 0.175 0.000 1.131 257 R CA 1.149 57.443 56.100 0.324 0.000 0.982 257 R CB -0.156 30.255 30.300 0.185 0.000 0.868 257 R HN 0.343 nan 8.270 nan 0.000 0.453 258 R N -0.751 119.821 120.500 0.120 0.000 2.297 258 R HA 0.008 4.348 4.340 -0.000 0.000 0.197 258 R C 1.401 177.734 176.300 0.054 0.000 0.943 258 R CA 1.408 57.554 56.100 0.076 0.000 1.038 258 R CB 0.436 30.776 30.300 0.066 0.000 0.957 258 R HN 0.332 nan 8.270 nan 0.000 0.484 259 T N -4.726 109.857 114.554 0.048 0.000 3.048 259 T HA 0.159 4.508 4.350 -0.000 0.000 0.254 259 T C 0.485 175.123 174.700 -0.104 0.000 0.942 259 T CA -0.302 61.806 62.100 0.012 0.000 0.931 259 T CB 0.259 69.152 68.868 0.041 0.000 1.220 259 T HN -0.177 nan 8.240 nan 0.000 0.503 260 V N 4.628 124.455 119.914 -0.145 0.000 2.389 260 V HA 0.387 4.507 4.120 -0.000 0.000 0.264 260 V C -2.482 173.550 176.094 -0.102 0.000 1.049 260 V CA -1.930 60.118 62.300 -0.420 0.000 0.932 260 V CB 0.545 32.012 31.823 -0.594 0.000 1.011 260 V HN 0.261 nan 8.190 nan 0.000 0.475 261 P HA 0.088 nan 4.420 nan 0.000 0.266 261 P C -1.739 175.644 177.300 0.139 0.000 1.195 261 P CA -1.070 61.984 63.100 -0.077 0.000 0.768 261 P CB 0.203 31.808 31.700 -0.158 0.000 0.838 262 P HA -0.173 nan 4.420 nan 0.000 0.225 262 P C 0.910 178.233 177.300 0.039 0.000 1.148 262 P CA 1.237 64.323 63.100 -0.023 0.000 0.779 262 P CB -0.224 31.378 31.700 -0.163 0.000 0.780 263 A N 0.122 122.954 122.820 0.020 0.000 2.067 263 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 263 A C 1.284 178.859 177.584 -0.016 0.000 1.158 263 A CA 0.522 52.552 52.037 -0.011 0.000 0.661 263 A CB -1.165 17.815 19.000 -0.034 0.000 0.801 263 A HN 0.084 nan 8.150 nan 0.000 0.452 264 V N 1.336 121.272 119.914 0.037 0.000 2.493 264 V HA -0.013 4.107 4.120 -0.000 0.000 0.292 264 V C 1.666 177.772 176.094 0.020 0.000 1.016 264 V CA 0.879 63.174 62.300 -0.008 0.000 1.097 264 V CB 0.535 32.306 31.823 -0.086 0.000 0.947 264 V HN 0.561 nan 8.190 nan 0.000 0.479 265 T N 3.734 118.217 114.554 -0.117 0.000 2.746 265 T HA 0.075 4.425 4.350 -0.000 0.000 0.267 265 T C 0.755 175.353 174.700 -0.170 0.000 1.039 265 T CA 1.474 63.435 62.100 -0.232 0.000 1.142 265 T CB -0.029 68.578 68.868 -0.435 0.000 0.866 265 T HN 0.961 nan 8.240 nan 0.000 0.444 266 G N -0.511 108.190 108.800 -0.166 0.000 2.673 266 G HA2 0.516 4.476 3.960 -0.000 0.000 0.292 266 G HA3 0.516 4.476 3.960 -0.000 0.000 0.292 266 G C -2.003 172.739 174.900 -0.263 0.000 1.450 266 G CA -0.636 44.364 45.100 -0.166 0.000 0.837 266 G HN 0.088 nan 8.290 nan 0.000 0.505 267 V N 1.217 120.936 119.914 -0.325 0.000 2.384 267 V HA 0.646 4.766 4.120 -0.000 0.000 0.287 267 V C 0.126 175.898 176.094 -0.537 0.000 1.020 267 V CA -0.468 61.519 62.300 -0.521 0.000 0.850 267 V CB 1.538 32.917 31.823 -0.740 0.000 0.987 267 V HN 1.048 nan 8.190 nan 0.000 0.436 268 T N 1.914 116.183 114.554 -0.475 0.000 2.963 268 T HA 0.595 4.945 4.350 -0.000 0.000 0.343 268 T C -0.504 174.045 174.700 -0.253 0.000 1.146 268 T CA -0.411 61.481 62.100 -0.345 0.000 1.016 268 T CB -0.132 68.576 68.868 -0.268 0.000 1.046 268 T HN 0.127 nan 8.240 nan 0.000 0.496 269 F N 3.207 123.154 119.950 -0.005 0.000 2.563 269 F HA 0.376 4.903 4.527 -0.000 0.000 0.363 269 F C 0.819 176.770 175.800 0.253 0.000 1.123 269 F CA -1.201 56.865 58.000 0.111 0.000 1.307 269 F CB 0.276 39.377 39.000 0.168 0.000 1.115 269 F HN 0.552 nan 8.300 nan 0.000 0.592 270 L N 0.264 121.741 121.223 0.424 0.000 2.379 270 L HA 0.514 4.853 4.340 -0.000 0.000 0.269 270 L C 0.916 177.982 176.870 0.327 0.000 1.084 270 L CA -0.290 54.765 54.840 0.359 0.000 0.802 270 L CB 0.899 43.079 42.059 0.202 0.000 1.175 270 L HN 0.609 nan 8.230 nan 0.000 0.448 271 S N -0.085 115.699 115.700 0.139 0.000 2.461 271 S HA 0.123 4.593 4.470 -0.000 0.000 0.228 271 S C 1.536 176.110 174.600 -0.044 0.000 1.005 271 S CA 0.204 58.294 58.200 -0.183 0.000 0.942 271 S CB -0.932 61.975 63.200 -0.487 0.000 0.776 271 S HN 1.641 nan 8.310 nan 0.000 0.514 272 G N 1.203 110.023 108.800 0.033 0.000 2.269 272 G HA2 0.014 3.974 3.960 -0.000 0.000 0.277 272 G HA3 0.014 3.974 3.960 -0.000 0.000 0.277 272 G C 1.047 175.993 174.900 0.077 0.000 1.008 272 G CA 0.641 45.775 45.100 0.057 0.000 0.774 272 G HN 1.857 nan 8.290 nan 0.000 0.511 273 G N -2.244 106.578 108.800 0.037 0.000 2.201 273 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.212 273 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.212 273 G C 0.332 175.246 174.900 0.023 0.000 0.994 273 G CA 0.656 45.784 45.100 0.046 0.000 0.644 273 G HN 1.049 nan 8.290 nan 0.000 0.508 274 Q N 1.290 121.092 119.800 0.002 0.000 2.421 274 Q HA 0.501 4.841 4.340 -0.000 0.000 0.255 274 Q C 1.160 177.121 176.000 -0.065 0.000 1.013 274 Q CA 0.383 56.177 55.803 -0.016 0.000 0.895 274 Q CB 0.859 29.567 28.738 -0.051 0.000 1.271 274 Q HN 0.690 nan 8.270 nan 0.000 0.460 275 S N 0.533 116.207 115.700 -0.044 0.000 2.589 275 S HA -0.002 4.468 4.470 -0.000 0.000 0.265 275 S C 0.687 175.235 174.600 -0.087 0.000 1.342 275 S CA -0.421 57.750 58.200 -0.049 0.000 1.005 275 S CB 0.761 63.950 63.200 -0.020 0.000 0.909 275 S HN 0.668 nan 8.310 nan 0.000 0.555 276 E N 0.531 120.686 120.200 -0.075 0.000 2.058 276 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 276 E C 1.872 178.413 176.600 -0.099 0.000 0.997 276 E CA 1.528 57.870 56.400 -0.098 0.000 0.801 276 E CB -0.204 29.468 29.700 -0.048 0.000 0.746 276 E HN 0.820 nan 8.360 nan 0.000 0.450 277 E N 1.219 121.390 120.200 -0.048 0.000 2.072 277 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 277 E C 1.864 178.439 176.600 -0.042 0.000 0.985 277 E CA 1.372 57.759 56.400 -0.021 0.000 0.801 277 E CB -0.022 29.694 29.700 0.027 0.000 0.750 277 E HN 0.308 nan 8.360 nan 0.000 0.452 278 E N -0.466 119.713 120.200 -0.036 0.000 2.077 278 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 278 E C 1.920 178.476 176.600 -0.072 0.000 0.989 278 E CA 1.092 57.479 56.400 -0.022 0.000 0.800 278 E CB -0.245 29.473 29.700 0.030 0.000 0.746 278 E HN 0.289 nan 8.360 nan 0.000 0.452 279 A N 0.441 123.183 122.820 -0.131 0.000 1.933 279 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 279 A C 2.348 179.891 177.584 -0.068 0.000 1.175 279 A CA 1.769 53.694 52.037 -0.186 0.000 0.628 279 A CB -0.439 18.240 19.000 -0.536 0.000 0.814 279 A HN 0.288 nan 8.150 nan 0.000 0.444 280 S N -0.336 115.283 115.700 -0.136 0.000 2.371 280 S HA -0.015 4.455 4.470 -0.000 0.000 0.224 280 S C 1.804 176.275 174.600 -0.216 0.000 1.029 280 S CA 1.196 59.241 58.200 -0.259 0.000 0.978 280 S CB -0.406 62.447 63.200 -0.579 0.000 0.833 280 S HN 0.546 nan 8.310 nan 0.000 0.466 281 I N 2.225 122.718 120.570 -0.128 0.000 2.226 281 I HA -0.193 3.976 4.170 -0.000 0.000 0.245 281 I C 2.071 178.100 176.117 -0.148 0.000 1.100 281 I CA 0.898 62.134 61.300 -0.106 0.000 1.374 281 I CB -0.420 37.376 38.000 -0.340 0.000 1.057 281 I HN 0.233 nan 8.210 nan 0.000 0.413 282 N N 0.735 119.361 118.700 -0.125 0.000 2.188 282 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 282 N C 1.801 177.272 175.510 -0.065 0.000 1.018 282 N CA 1.081 54.101 53.050 -0.051 0.000 0.858 282 N CB -0.350 38.124 38.487 -0.022 0.000 0.989 282 N HN 0.215 nan 8.380 nan 0.000 0.426 283 L N 1.517 122.716 121.223 -0.039 0.000 2.056 283 L HA -0.060 4.279 4.340 -0.000 0.000 0.207 283 L C 1.799 178.678 176.870 0.016 0.000 1.078 283 L CA 1.623 56.459 54.840 -0.007 0.000 0.749 283 L CB -1.022 41.089 42.059 0.088 0.000 0.901 283 L HN 0.087 nan 8.230 nan 0.000 0.433 284 N N -0.315 118.396 118.700 0.019 0.000 2.120 284 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 284 N C 1.823 177.364 175.510 0.052 0.000 1.024 284 N CA 1.571 54.661 53.050 0.066 0.000 0.852 284 N CB -0.220 38.358 38.487 0.151 0.000 1.003 284 N HN 0.465 nan 8.380 nan 0.000 0.424 285 A N 0.465 123.302 122.820 0.029 0.000 1.902 285 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 285 A C 2.295 179.891 177.584 0.019 0.000 1.181 285 A CA 1.086 53.142 52.037 0.033 0.000 0.623 285 A CB -0.789 18.242 19.000 0.052 0.000 0.818 285 A HN 0.412 nan 8.150 nan 0.000 0.443 286 I N 0.103 120.670 120.570 -0.006 0.000 2.208 286 I HA -0.276 3.893 4.170 -0.000 0.000 0.245 286 I C 2.081 178.231 176.117 0.054 0.000 1.097 286 I CA 1.238 62.535 61.300 -0.005 0.000 1.363 286 I CB -0.338 37.614 38.000 -0.081 0.000 1.051 286 I HN 0.373 nan 8.210 nan 0.000 0.413 287 N N 0.665 119.405 118.700 0.066 0.000 2.396 287 N HA -0.106 4.634 4.740 -0.000 0.000 0.180 287 N C 1.451 176.993 175.510 0.055 0.000 1.028 287 N CA 0.905 54.003 53.050 0.079 0.000 0.893 287 N CB 0.093 38.631 38.487 0.085 0.000 0.967 287 N HN 0.448 nan 8.380 nan 0.000 0.440 288 K N 0.145 120.571 120.400 0.043 0.000 2.379 288 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 288 K C 0.606 177.218 176.600 0.019 0.000 1.031 288 K CA -0.224 56.081 56.287 0.031 0.000 1.037 288 K CB 0.297 32.816 32.500 0.032 0.000 0.824 288 K HN 0.033 nan 8.250 nan 0.000 0.516 289 C N 4.757 124.067 119.300 0.017 0.000 2.523 289 C HA 0.024 4.484 4.460 -0.000 0.000 0.406 289 C C -1.507 173.479 174.990 -0.007 0.000 1.449 289 C CA -1.474 57.542 59.018 -0.003 0.000 1.588 289 C CB -0.074 27.660 27.740 -0.010 0.000 2.514 289 C HN 0.306 nan 8.230 nan 0.000 0.606 290 P HA 0.152 nan 4.420 nan 0.000 0.238 290 P C -0.626 176.656 177.300 -0.029 0.000 1.714 290 P CA 0.821 63.909 63.100 -0.019 0.000 0.908 290 P CB -0.450 31.239 31.700 -0.017 0.000 1.893 291 L N 0.091 121.298 121.223 -0.027 0.000 2.376 291 L HA 0.414 4.754 4.340 -0.000 0.000 0.258 291 L C -0.025 176.819 176.870 -0.043 0.000 1.013 291 L CA -1.628 53.191 54.840 -0.034 0.000 0.822 291 L CB 2.157 44.197 42.059 -0.030 0.000 1.388 291 L HN -0.119 nan 8.230 nan 0.000 0.413 292 L N 2.388 123.570 121.223 -0.069 0.000 2.410 292 L HA 0.190 4.530 4.340 -0.000 0.000 0.273 292 L C -0.525 176.229 176.870 -0.193 0.000 1.144 292 L CA 0.482 55.251 54.840 -0.118 0.000 0.863 292 L CB 0.035 42.017 42.059 -0.128 0.000 1.140 292 L HN 0.441 nan 8.230 nan 0.000 0.463 293 K N 7.015 127.275 120.400 -0.234 0.000 2.575 293 K HA 0.351 4.671 4.320 -0.000 0.000 0.236 293 K C -1.955 174.302 176.600 -0.572 0.000 0.976 293 K CA -1.281 54.769 56.287 -0.395 0.000 0.985 293 K CB 1.186 33.679 32.500 -0.012 0.000 1.198 293 K HN 0.427 nan 8.250 nan 0.000 0.464 294 P HA -0.073 nan 4.420 nan 0.000 0.247 294 P C -0.871 176.024 177.300 -0.674 0.000 1.225 294 P CA 0.324 62.921 63.100 -0.838 0.000 0.768 294 P CB 0.132 31.318 31.700 -0.855 0.000 1.020 295 W N -0.825 120.435 121.300 -0.067 0.000 3.031 295 W HA 0.670 5.330 4.660 -0.000 0.000 0.337 295 W C -0.657 175.812 176.519 -0.083 0.000 1.187 295 W CA -1.706 55.583 57.345 -0.094 0.000 1.166 295 W CB 0.926 30.311 29.460 -0.125 0.000 1.437 295 W HN -0.235 nan 8.180 nan 0.000 0.551 296 A N 2.137 125.058 122.820 0.168 0.000 2.477 296 A HA 0.507 4.827 4.320 -0.000 0.000 0.246 296 A C -0.598 177.033 177.584 0.078 0.000 1.078 296 A CA -0.009 52.071 52.037 0.072 0.000 0.770 296 A CB 0.213 19.195 19.000 -0.030 0.000 1.011 296 A HN 0.630 nan 8.150 nan 0.000 0.494 297 L N 3.349 124.637 121.223 0.109 0.000 2.337 297 L HA 0.403 4.743 4.340 -0.000 0.000 0.269 297 L C 0.503 177.462 176.870 0.149 0.000 1.018 297 L CA -0.158 54.776 54.840 0.157 0.000 0.876 297 L CB 1.164 43.416 42.059 0.321 0.000 1.236 297 L HN 0.925 nan 8.230 nan 0.000 0.436 298 T N 1.584 116.157 114.554 0.031 0.000 2.572 298 T HA 0.672 5.022 4.350 -0.000 0.000 0.244 298 T C -1.089 173.616 174.700 0.009 0.000 0.860 298 T CA -0.331 61.772 62.100 0.006 0.000 1.125 298 T CB 1.095 69.830 68.868 -0.221 0.000 1.491 298 T HN 0.207 nan 8.240 nan 0.000 0.532 299 F N -0.044 119.751 119.950 -0.259 0.000 2.579 299 F HA 0.839 5.366 4.527 -0.000 0.000 0.324 299 F C -0.078 175.509 175.800 -0.355 0.000 1.058 299 F CA -1.138 56.547 58.000 -0.526 0.000 0.944 299 F CB 1.812 40.035 39.000 -1.294 0.000 1.245 299 F HN 0.358 nan 8.300 nan 0.000 0.477 300 S N 1.949 117.594 115.700 -0.093 0.000 2.317 300 S HA 0.408 4.878 4.470 -0.000 0.000 0.144 300 S C -1.850 172.953 174.600 0.339 0.000 1.660 300 S CA -0.390 57.843 58.200 0.055 0.000 1.273 300 S CB -0.616 62.601 63.200 0.028 0.000 1.330 300 S HN 0.505 nan 8.310 nan 0.000 0.395 301 Y N 1.042 121.537 120.300 0.326 0.000 2.323 301 Y HA 0.626 5.175 4.550 -0.001 0.000 0.331 301 Y C 1.257 177.251 175.900 0.156 0.000 1.092 301 Y CA -0.659 57.571 58.100 0.216 0.000 1.150 301 Y CB 1.304 39.865 38.460 0.170 0.000 1.200 301 Y HN 0.485 nan 8.280 nan 0.000 0.472 302 G N 2.522 111.478 108.800 0.260 0.000 2.687 302 G HA2 0.013 3.973 3.960 -0.000 0.000 0.222 302 G HA3 0.013 3.973 3.960 -0.000 0.000 0.222 302 G C 1.363 176.332 174.900 0.115 0.000 1.445 302 G CA -0.194 44.998 45.100 0.155 0.000 0.836 302 G HN 0.537 nan 8.290 nan 0.000 0.598 303 R N 0.748 121.288 120.500 0.066 0.000 2.105 303 R HA 0.029 4.369 4.340 -0.000 0.000 0.239 303 R C 2.701 179.006 176.300 0.008 0.000 1.135 303 R CA 1.197 57.317 56.100 0.034 0.000 0.967 303 R CB -0.327 29.976 30.300 0.005 0.000 0.861 303 R HN 0.334 nan 8.270 nan 0.000 0.442 304 A N 0.293 123.078 122.820 -0.059 0.000 2.216 304 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 304 A C 1.786 179.375 177.584 0.010 0.000 1.160 304 A CA 0.943 52.895 52.037 -0.142 0.000 0.725 304 A CB -0.102 18.556 19.000 -0.570 0.000 0.784 304 A HN 0.224 nan 8.150 nan 0.000 0.472 305 L N -2.373 118.922 121.223 0.120 0.000 2.672 305 L HA 0.099 4.439 4.340 -0.000 0.000 0.236 305 L C 2.042 179.041 176.870 0.214 0.000 1.092 305 L CA 0.325 55.285 54.840 0.199 0.000 0.887 305 L CB 0.189 42.431 42.059 0.304 0.000 1.168 305 L HN 0.383 nan 8.230 nan 0.000 0.502 306 Q N -0.677 119.210 119.800 0.145 0.000 2.316 306 Q HA 0.217 4.557 4.340 -0.000 0.000 0.235 306 Q C 2.163 178.250 176.000 0.146 0.000 0.863 306 Q CA 0.524 56.421 55.803 0.156 0.000 0.939 306 Q CB 0.596 29.438 28.738 0.173 0.000 1.108 306 Q HN 0.383 nan 8.270 nan 0.000 0.522 307 A N 1.405 124.282 122.820 0.095 0.000 1.863 307 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 307 A C 2.227 179.861 177.584 0.082 0.000 1.233 307 A CA 2.417 54.495 52.037 0.067 0.000 0.655 307 A CB -0.915 18.104 19.000 0.033 0.000 0.839 307 A HN 0.284 nan 8.150 nan 0.000 0.454 308 S N -0.425 115.326 115.700 0.085 0.000 2.383 308 S HA 0.047 4.517 4.470 -0.000 0.000 0.227 308 S C 2.280 176.960 174.600 0.132 0.000 1.026 308 S CA 1.144 59.398 58.200 0.091 0.000 0.981 308 S CB -0.529 62.717 63.200 0.076 0.000 0.818 308 S HN 0.853 nan 8.310 nan 0.000 0.472 309 A N 1.532 124.454 122.820 0.169 0.000 1.877 309 A HA -0.070 4.249 4.320 -0.000 0.000 0.216 309 A C 2.126 179.878 177.584 0.280 0.000 1.186 309 A CA 1.417 53.585 52.037 0.219 0.000 0.620 309 A CB -0.804 18.330 19.000 0.223 0.000 0.822 309 A HN 0.410 nan 8.150 nan 0.000 0.443 310 L N -0.076 121.301 121.223 0.256 0.000 2.012 310 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 310 L C 2.390 179.369 176.870 0.183 0.000 1.073 310 L CA 2.672 57.638 54.840 0.209 0.000 0.748 310 L CB -0.465 41.632 42.059 0.064 0.000 0.891 310 L HN 0.480 nan 8.230 nan 0.000 0.431 311 K N -0.949 119.523 120.400 0.120 0.000 2.057 311 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 311 K C 1.982 178.641 176.600 0.098 0.000 1.049 311 K CA 1.306 57.638 56.287 0.074 0.000 0.931 311 K CB -0.242 32.289 32.500 0.052 0.000 0.714 311 K HN 0.432 nan 8.250 nan 0.000 0.440 312 A N 0.502 123.409 122.820 0.145 0.000 1.933 312 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 312 A C 1.848 179.568 177.584 0.227 0.000 1.175 312 A CA 1.342 53.472 52.037 0.155 0.000 0.628 312 A CB -0.899 18.195 19.000 0.156 0.000 0.814 312 A HN 0.716 nan 8.150 nan 0.000 0.444 313 W N 0.195 121.541 121.300 0.077 0.000 2.380 313 W HA 0.109 4.769 4.660 -0.000 0.000 0.317 313 W C 1.699 178.252 176.519 0.056 0.000 1.196 313 W CA 2.016 59.421 57.345 0.101 0.000 1.307 313 W CB -0.767 28.781 29.460 0.147 0.000 1.157 313 W HN 0.715 nan 8.180 nan 0.000 0.483 314 G N -0.315 108.399 108.800 -0.144 0.000 2.186 314 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.266 314 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.266 314 G C 1.332 175.783 174.900 -0.747 0.000 0.982 314 G CA 1.328 46.214 45.100 -0.356 0.000 0.670 314 G HN 1.615 nan 8.290 nan 0.000 0.533 315 G N -1.521 106.248 108.800 -1.718 0.000 2.143 315 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.249 315 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.249 315 G C 0.154 174.557 174.900 -0.829 0.000 0.981 315 G CA 1.057 45.091 45.100 -1.778 0.000 0.665 315 G HN 1.071 nan 8.290 nan 0.000 0.528 316 K N 0.307 120.374 120.400 -0.554 0.000 2.235 316 K HA 0.406 4.725 4.320 -0.000 0.000 0.266 316 K C 1.199 177.891 176.600 0.154 0.000 0.980 316 K CA -0.656 55.552 56.287 -0.132 0.000 0.849 316 K CB 1.812 34.262 32.500 -0.083 0.000 1.098 316 K HN 0.024 nan 8.250 nan 0.000 0.445 317 K N 3.065 123.523 120.400 0.097 0.000 2.152 317 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 317 K C 0.460 177.206 176.600 0.242 0.000 1.048 317 K CA 1.940 58.339 56.287 0.186 0.000 0.933 317 K CB 0.310 32.824 32.500 0.024 0.000 0.721 317 K HN 0.562 nan 8.250 nan 0.000 0.447 318 E N 0.743 121.033 120.200 0.151 0.000 2.338 318 E HA -0.068 4.282 4.350 -0.000 0.000 0.197 318 E C 1.097 177.792 176.600 0.159 0.000 1.007 318 E CA 0.796 57.274 56.400 0.130 0.000 0.849 318 E CB -0.145 29.602 29.700 0.078 0.000 0.774 318 E HN 0.350 nan 8.360 nan 0.000 0.506 319 N N 0.373 119.204 118.700 0.219 0.000 2.322 319 N HA 0.027 4.767 4.740 -0.000 0.000 0.194 319 N C 1.241 176.927 175.510 0.294 0.000 1.126 319 N CA -0.010 53.183 53.050 0.238 0.000 0.845 319 N CB 0.280 38.912 38.487 0.243 0.000 0.976 319 N HN 0.140 nan 8.380 nan 0.000 0.475 320 L N 1.662 123.070 121.223 0.308 0.000 1.978 320 L HA -0.210 4.129 4.340 -0.000 0.000 0.218 320 L C 1.996 178.942 176.870 0.127 0.000 1.075 320 L CA 1.945 56.923 54.840 0.229 0.000 0.767 320 L CB -0.323 41.866 42.059 0.218 0.000 0.890 320 L HN -0.103 nan 8.230 nan 0.000 0.434 321 K N -0.174 120.293 120.400 0.112 0.000 2.032 321 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 321 K C 2.128 178.780 176.600 0.087 0.000 1.048 321 K CA 1.543 57.878 56.287 0.080 0.000 0.927 321 K CB -0.931 31.611 32.500 0.070 0.000 0.712 321 K HN 0.537 nan 8.250 nan 0.000 0.441 322 A N 1.385 124.268 122.820 0.106 0.000 1.908 322 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 322 A C 2.417 180.073 177.584 0.120 0.000 1.181 322 A CA 2.253 54.352 52.037 0.103 0.000 0.627 322 A CB -0.593 18.471 19.000 0.108 0.000 0.818 322 A HN 0.330 nan 8.150 nan 0.000 0.445 323 A N -0.807 122.106 122.820 0.156 0.000 1.873 323 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 323 A C 2.114 179.778 177.584 0.134 0.000 1.186 323 A CA 1.547 53.689 52.037 0.175 0.000 0.616 323 A CB -0.590 18.552 19.000 0.236 0.000 0.823 323 A HN 0.638 nan 8.150 nan 0.000 0.442 324 Q N -1.052 118.804 119.800 0.094 0.000 2.170 324 Q HA -0.221 4.119 4.340 -0.000 0.000 0.203 324 Q C 2.021 178.089 176.000 0.112 0.000 0.976 324 Q CA 1.500 57.363 55.803 0.101 0.000 0.858 324 Q CB -0.131 28.636 28.738 0.049 0.000 0.907 324 Q HN 0.699 nan 8.270 nan 0.000 0.433 325 E N 0.986 121.234 120.200 0.080 0.000 2.110 325 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 325 E C 1.680 178.311 176.600 0.052 0.000 0.988 325 E CA 1.083 57.514 56.400 0.052 0.000 0.804 325 E CB 0.119 29.848 29.700 0.048 0.000 0.745 325 E HN 0.212 nan 8.360 nan 0.000 0.458 326 E N -0.551 119.702 120.200 0.088 0.000 2.072 326 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 326 E C 1.954 178.617 176.600 0.105 0.000 0.985 326 E CA 1.009 57.464 56.400 0.090 0.000 0.801 326 E CB -0.600 29.169 29.700 0.114 0.000 0.750 326 E HN 0.435 nan 8.360 nan 0.000 0.452 327 Y N 1.622 121.931 120.300 0.014 0.000 2.163 327 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 327 Y C 2.213 178.105 175.900 -0.014 0.000 1.136 327 Y CA 0.975 59.072 58.100 -0.004 0.000 1.147 327 Y CB -0.522 37.920 38.460 -0.029 0.000 0.987 327 Y HN -0.205 nan 8.280 nan 0.000 0.509 328 V N 1.231 120.968 119.914 -0.296 0.000 2.392 328 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 328 V C 2.348 178.298 176.094 -0.240 0.000 1.059 328 V CA 2.360 64.441 62.300 -0.365 0.000 1.051 328 V CB -0.651 31.079 31.823 -0.155 0.000 0.658 328 V HN 0.357 nan 8.190 nan 0.000 0.455 329 K N -0.417 119.908 120.400 -0.125 0.000 2.097 329 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 329 K C 2.391 178.931 176.600 -0.099 0.000 1.049 329 K CA 1.035 57.278 56.287 -0.074 0.000 0.933 329 K CB -0.181 32.307 32.500 -0.019 0.000 0.717 329 K HN 0.279 nan 8.250 nan 0.000 0.442 330 R N 0.292 120.719 120.500 -0.121 0.000 2.115 330 R HA 0.034 4.373 4.340 -0.000 0.000 0.226 330 R C 2.119 178.275 176.300 -0.242 0.000 1.100 330 R CA 1.081 57.097 56.100 -0.140 0.000 0.980 330 R CB -0.813 29.452 30.300 -0.059 0.000 0.875 330 R HN 0.203 nan 8.270 nan 0.000 0.445 331 A N 1.124 123.756 122.820 -0.313 0.000 1.898 331 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 331 A C 2.318 179.779 177.584 -0.205 0.000 1.181 331 A CA 0.976 52.827 52.037 -0.309 0.000 0.620 331 A CB -0.493 18.238 19.000 -0.449 0.000 0.819 331 A HN 0.177 nan 8.150 nan 0.000 0.442 332 L N -0.772 120.353 121.223 -0.165 0.000 2.056 332 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 332 L C 3.101 179.931 176.870 -0.067 0.000 1.078 332 L CA 1.048 55.838 54.840 -0.083 0.000 0.749 332 L CB -0.588 41.440 42.059 -0.052 0.000 0.901 332 L HN 0.421 nan 8.230 nan 0.000 0.433 333 A N 0.250 123.007 122.820 -0.106 0.000 1.902 333 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 333 A C 2.067 179.425 177.584 -0.377 0.000 1.181 333 A CA 1.858 53.795 52.037 -0.165 0.000 0.623 333 A CB -0.554 18.307 19.000 -0.231 0.000 0.818 333 A HN 0.447 nan 8.150 nan 0.000 0.443 334 N N -0.289 118.157 118.700 -0.423 0.000 2.331 334 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 334 N C 1.937 177.323 175.510 -0.207 0.000 1.019 334 N CA 1.239 53.962 53.050 -0.545 0.000 0.881 334 N CB -0.203 37.550 38.487 -1.224 0.000 0.972 334 N HN 0.494 nan 8.380 nan 0.000 0.435 335 S N 0.915 116.575 115.700 -0.066 0.000 2.368 335 S HA 0.060 4.530 4.470 -0.000 0.000 0.224 335 S C 2.001 176.646 174.600 0.075 0.000 1.029 335 S CA 0.525 58.790 58.200 0.109 0.000 0.988 335 S CB -0.064 63.177 63.200 0.067 0.000 0.838 335 S HN 0.196 nan 8.310 nan 0.000 0.462 336 L N 0.944 122.194 121.223 0.046 0.000 2.093 336 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 336 L C 2.963 179.893 176.870 0.099 0.000 1.085 336 L CA 1.087 55.983 54.840 0.093 0.000 0.755 336 L CB -0.699 41.462 42.059 0.170 0.000 0.904 336 L HN 0.404 nan 8.230 nan 0.000 0.435 337 A N 0.168 123.008 122.820 0.033 0.000 1.902 337 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 337 A C 2.303 179.932 177.584 0.074 0.000 1.181 337 A CA 1.669 53.722 52.037 0.026 0.000 0.623 337 A CB -1.180 17.731 19.000 -0.149 0.000 0.818 337 A HN 0.710 nan 8.150 nan 0.000 0.443 338 C N -1.597 117.768 119.300 0.107 0.000 2.525 338 C HA 0.251 4.711 4.460 -0.000 0.000 0.279 338 C C 1.552 176.597 174.990 0.092 0.000 1.437 338 C CA 0.497 59.594 59.018 0.131 0.000 1.704 338 C CB -1.766 26.076 27.740 0.171 0.000 1.672 338 C HN 0.616 nan 8.230 nan 0.000 0.582 339 Q N -0.163 119.687 119.800 0.082 0.000 2.140 339 Q HA 0.263 4.602 4.340 -0.000 0.000 0.227 339 Q C 1.504 177.543 176.000 0.064 0.000 0.798 339 Q CA 0.454 56.296 55.803 0.065 0.000 0.987 339 Q CB 0.916 29.688 28.738 0.057 0.000 1.161 339 Q HN 0.727 nan 8.270 nan 0.000 0.480 340 G N 2.126 110.973 108.800 0.077 0.000 2.179 340 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.257 340 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.257 340 G C 0.476 175.420 174.900 0.073 0.000 1.010 340 G CA 0.721 45.866 45.100 0.074 0.000 0.736 340 G HN 0.269 nan 8.290 nan 0.000 0.513 341 K N -0.942 119.511 120.400 0.089 0.000 2.414 341 K HA 0.221 4.541 4.320 -0.000 0.000 0.204 341 K C 0.304 176.970 176.600 0.109 0.000 1.026 341 K CA -0.649 55.683 56.287 0.076 0.000 1.108 341 K CB 0.678 33.214 32.500 0.059 0.000 0.855 341 K HN 0.380 nan 8.250 nan 0.000 0.517 342 Y N 2.655 122.951 120.300 -0.006 0.000 2.377 342 Y HA 0.082 4.632 4.550 -0.000 0.000 0.330 342 Y C 0.070 175.958 175.900 -0.021 0.000 1.108 342 Y CA -0.188 57.902 58.100 -0.018 0.000 1.308 342 Y CB 0.628 39.072 38.460 -0.026 0.000 1.216 342 Y HN 0.029 nan 8.280 nan 0.000 0.518 343 T N 4.003 118.184 114.554 -0.621 0.000 2.916 343 T HA 0.365 4.715 4.350 -0.000 0.000 0.305 343 T C -2.357 171.919 174.700 -0.706 0.000 1.119 343 T CA -2.059 59.720 62.100 -0.535 0.000 1.008 343 T CB 2.027 70.754 68.868 -0.235 0.000 1.129 343 T HN 0.292 nan 8.240 nan 0.000 0.480 344 P HA -0.182 nan 4.420 nan 0.000 0.217 344 P C 1.872 179.047 177.300 -0.208 0.000 1.148 344 P CA 1.653 64.553 63.100 -0.334 0.000 0.828 344 P CB 0.020 31.612 31.700 -0.181 0.000 0.783 345 S N -2.231 113.364 115.700 -0.175 0.000 2.368 345 S HA 0.168 4.638 4.470 -0.000 0.000 0.224 345 S C 1.294 175.843 174.600 -0.085 0.000 1.029 345 S CA 1.108 59.246 58.200 -0.103 0.000 0.988 345 S CB -0.907 62.244 63.200 -0.081 0.000 0.838 345 S HN 0.356 nan 8.310 nan 0.000 0.462 346 G N 0.441 109.174 108.800 -0.113 0.000 2.366 346 G HA2 0.087 4.046 3.960 -0.000 0.000 0.190 346 G HA3 0.087 4.046 3.960 -0.000 0.000 0.190 346 G C -0.390 174.494 174.900 -0.026 0.000 1.299 346 G CA 0.039 45.111 45.100 -0.048 0.000 1.056 346 G HN 0.059 nan 8.290 nan 0.000 0.468 347 Q N 0.275 120.077 119.800 0.003 0.000 2.234 347 Q HA 0.138 4.478 4.340 -0.000 0.000 0.206 347 Q C 1.806 177.805 176.000 -0.001 0.000 0.980 347 Q CA 1.536 57.348 55.803 0.015 0.000 0.869 347 Q CB -0.937 27.809 28.738 0.013 0.000 0.912 347 Q HN 1.119 nan 8.270 nan 0.000 0.436 360 N N -0.927 117.785 118.700 0.021 0.000 2.200 360 N HA 0.230 4.970 4.740 -0.000 0.000 0.233 360 N C 0.650 176.187 175.510 0.045 0.000 1.236 360 N CA 0.201 53.252 53.050 0.001 0.000 0.845 360 N CB -0.013 38.334 38.487 -0.233 0.000 1.257 360 N HN 0.550 nan 8.380 nan 0.000 0.472 361 H N -0.106 119.064 119.070 0.168 0.000 2.556 361 H HA 0.328 4.883 4.556 -0.000 0.000 0.268 361 H C 0.880 176.260 175.328 0.087 0.000 0.996 361 H CA 0.945 57.062 56.048 0.115 0.000 1.157 361 H CB 0.169 29.974 29.762 0.071 0.000 1.355 361 H HN 0.367 nan 8.280 nan 0.000 0.597 362 A N -0.114 122.792 122.820 0.142 0.000 2.275 362 A HA 0.178 4.498 4.320 -0.000 0.000 0.212 362 A C -0.053 177.360 177.584 -0.285 0.000 1.201 362 A CA -0.102 51.888 52.037 -0.078 0.000 0.843 362 A CB -0.087 18.806 19.000 -0.178 0.000 0.873 362 A HN 0.135 nan 8.150 nan 0.000 0.492 363 Y N 0.000 120.339 120.300 0.065 0.000 2.660 363 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 363 Y CA 0.000 58.136 58.100 0.060 0.000 1.940 363 Y CB 0.000 38.484 38.460 0.040 0.000 1.050 363 Y HN 0.000 nan 8.280 nan 0.000 0.758