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 3pmg_1_A DATA FIRST_RESID 1 DATA SEQUENCE VKIVTVKTKA YPDQKPGTSG LRKRVKVFQS STNYAENFIQ SIISTVEPAQ DATA SEQUENCE RQEATLVVGG DGRFYMKEAI QLIVRIAAAN GIGRLVIGQN GILSTPAVSC DATA SEQUENCE IIRKIKAIGG IILTAXHNPG GPNGDFGIKF NISNGGPAPE AITDKIFQIS DATA SEQUENCE KTIEEYAICP DLKVDLGVLG KQQFDLENKF KPFTVEIVDS VEAYATMLRN DATA SEQUENCE IFDFNALKEL LSGPNRLKIR IDAMHGVVGP YVKKILCEEL GAPANSAVNC DATA SEQUENCE VPLEDFGGHH PDPNLTYAAD LVETMKSGEH DFGAAFDGDG DRNMILGKHG DATA SEQUENCE FFVNPSDSVA VIAANIFSIP YFQQTGVRGF ARSMPTSGAL DRVANATKIA DATA SEQUENCE LYETPTGWKF FGNLMDASKL SLCGEESFGT GSDHIREKDG LWAVLAWLSI DATA SEQUENCE LATRKQSVED ILKDHWHKFG RNFFTRYDYE EVEAEGATKM MKDLEALMFD DATA SEQUENCE RSFVGKQFSA NDKVYTVEKA DNFEYHDPVD GSVSKNQGLR LIFADGSRII DATA SEQUENCE FRLSGTGSAG ATIRLYIDSY EKDNAKINQD PQVMLAPLIS IALKVSQLQE DATA SEQUENCE RTGRTAPTVI T 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.107 176.094 0.021 0.000 1.182 1 V CA 0.000 62.332 62.300 0.054 0.000 1.235 1 V CB 0.000 31.869 31.823 0.076 0.000 1.184 2 K N 4.830 125.233 120.400 0.006 0.000 2.144 2 K HA 0.354 nan 4.320 nan 0.000 0.270 2 K C -1.334 175.252 176.600 -0.023 0.000 1.005 2 K CA -1.247 55.037 56.287 -0.005 0.000 0.932 2 K CB 1.319 33.816 32.500 -0.004 0.000 1.021 2 K HN 0.076 8.731 8.250 0.007 -0.401 0.462 3 I N 1.443 121.998 120.570 -0.025 0.000 2.362 3 I HA 0.175 nan 4.170 nan 0.000 0.289 3 I C -1.059 175.036 176.117 -0.036 0.000 0.994 3 I CA -0.547 60.731 61.300 -0.037 0.000 1.158 3 I CB 1.349 39.327 38.000 -0.038 0.000 1.315 3 I HN -0.595 7.829 8.210 -0.016 -0.225 0.451 4 V N 8.844 128.731 119.914 -0.044 0.000 2.864 4 V HA 0.385 nan 4.120 nan 0.000 0.314 4 V C -1.467 174.577 176.094 -0.084 0.000 1.073 4 V CA -1.880 60.387 62.300 -0.056 0.000 0.956 4 V CB 4.897 36.690 31.823 -0.050 0.000 1.023 4 V HN 0.903 9.067 8.190 -0.044 0.000 0.435 5 T N 6.155 120.647 114.554 -0.103 0.000 2.829 5 T HA 0.538 nan 4.350 nan 0.000 0.282 5 T C -0.962 173.600 174.700 -0.229 0.000 0.990 5 T CA -0.478 61.532 62.100 -0.149 0.000 1.028 5 T CB 0.976 69.779 68.868 -0.109 0.000 0.951 5 T HN 0.194 8.383 8.240 -0.086 0.000 0.460 6 V N 7.946 127.605 119.914 -0.425 0.000 2.376 6 V HA 0.248 nan 4.120 nan 0.000 0.287 6 V C -0.868 174.956 176.094 -0.450 0.000 1.015 6 V CA -1.383 60.596 62.300 -0.534 0.000 0.834 6 V CB 1.566 32.788 31.823 -1.002 0.000 1.001 6 V HN 0.908 8.795 8.190 -0.504 0.000 0.428 7 K N 7.594 127.863 120.400 -0.218 0.000 2.401 7 K HA 0.268 nan 4.320 nan 0.000 0.278 7 K C -0.543 176.023 176.600 -0.057 0.000 1.018 7 K CA 0.003 56.222 56.287 -0.113 0.000 0.981 7 K CB -0.080 32.380 32.500 -0.066 0.000 0.933 7 K HN 0.282 8.426 8.250 -0.176 0.000 0.477 8 T N 3.697 118.261 114.554 0.018 0.000 2.778 8 T HA 0.292 nan 4.350 nan 0.000 0.293 8 T C -1.871 172.870 174.700 0.069 0.000 1.144 8 T CA -1.804 60.359 62.100 0.106 0.000 1.010 8 T CB 2.354 71.389 68.868 0.278 0.000 1.325 8 T HN 0.632 8.770 8.240 0.008 0.108 0.515 9 K N 0.819 121.259 120.400 0.066 0.000 2.378 9 K HA 0.296 nan 4.320 nan 0.000 0.252 9 K C -1.067 175.532 176.600 -0.001 0.000 0.931 9 K CA -1.175 55.111 56.287 -0.001 0.000 0.794 9 K CB 2.560 35.025 32.500 -0.059 0.000 1.181 9 K HN 0.216 8.527 8.250 0.101 0.000 0.425 10 A N 2.937 125.754 122.820 -0.004 0.000 2.498 10 A HA 0.041 nan 4.320 nan 0.000 0.239 10 A C -1.102 176.460 177.584 -0.037 0.000 1.068 10 A CA 0.829 52.881 52.037 0.026 0.000 0.766 10 A CB 0.567 19.569 19.000 0.002 0.000 1.003 10 A HN 0.460 8.601 8.150 -0.014 0.000 0.497 11 Y N 2.299 122.593 120.300 -0.011 0.000 2.354 11 Y HA 0.080 nan 4.550 nan 0.000 0.322 11 Y C -0.234 175.680 175.900 0.023 0.000 1.253 11 Y CA -2.031 56.076 58.100 0.012 0.000 1.272 11 Y CB 0.783 39.224 38.460 -0.032 0.000 1.255 11 Y HN 0.129 8.590 8.280 0.301 0.000 0.500 12 P HA 0.077 nan 4.420 nan 0.000 0.252 12 P C -1.602 175.865 177.300 0.279 0.000 1.218 12 P CA 1.089 64.281 63.100 0.154 0.000 0.807 12 P CB 0.607 32.368 31.700 0.102 0.000 1.072 13 D N -3.150 117.426 120.400 0.292 0.000 2.440 13 D HA -0.056 nan 4.640 nan 0.000 0.216 13 D C -1.040 175.372 176.300 0.187 0.000 1.150 13 D CA -0.689 53.469 54.000 0.263 0.000 0.832 13 D CB -1.116 39.791 40.800 0.180 0.000 0.992 13 D HN -0.048 8.439 8.370 0.289 0.057 0.502 14 Q N -0.846 119.087 119.800 0.222 0.000 3.179 14 Q HA -0.016 nan 4.340 nan 0.000 0.328 14 Q C -1.254 174.863 176.000 0.195 0.000 1.336 14 Q CA -0.887 54.954 55.803 0.063 0.000 0.939 14 Q CB -1.668 27.097 28.738 0.044 0.000 1.658 14 Q HN 0.066 8.524 8.270 0.312 0.000 0.486 15 K N 2.354 122.693 120.400 -0.101 0.000 2.264 15 K HA 0.218 nan 4.320 nan 0.000 0.277 15 K C -2.332 174.168 176.600 -0.166 0.000 1.067 15 K CA -2.840 53.184 56.287 -0.438 0.000 0.900 15 K CB 0.719 32.572 32.500 -1.078 0.000 1.124 15 K HN -0.535 7.582 8.250 -0.114 0.065 0.469 16 P HA 0.082 nan 4.420 nan 0.000 0.276 16 P C -1.287 176.023 177.300 0.017 0.000 1.230 16 P CA -0.350 62.797 63.100 0.077 0.000 0.776 16 P CB 0.540 32.394 31.700 0.255 0.000 0.888 17 G N 0.584 109.395 108.800 0.018 0.000 2.574 17 G HA2 0.134 nan 3.960 nan 0.000 0.248 17 G HA3 0.134 nan 3.960 nan 0.000 0.248 17 G C 1.158 176.080 174.900 0.038 0.000 1.422 17 G CA -0.752 44.355 45.100 0.011 0.000 1.051 17 G HN -0.128 8.088 8.290 0.025 0.089 0.560 18 T N -5.467 109.108 114.554 0.035 0.000 3.072 18 T HA -0.063 nan 4.350 nan 0.000 0.266 18 T C 1.036 175.766 174.700 0.049 0.000 1.127 18 T CA 1.941 64.066 62.100 0.041 0.000 1.107 18 T CB 0.012 68.902 68.868 0.037 0.000 0.910 18 T HN 0.004 8.262 8.240 0.031 0.000 0.513 19 S N 0.834 116.561 115.700 0.045 0.000 2.562 19 S HA 0.139 nan 4.470 nan 0.000 0.246 19 S C -0.523 174.104 174.600 0.045 0.000 1.056 19 S CA -0.790 57.430 58.200 0.034 0.000 1.042 19 S CB -0.206 63.007 63.200 0.022 0.000 0.822 19 S HN -0.140 8.156 8.310 0.041 0.039 0.465 20 G N 0.261 109.111 108.800 0.084 0.000 2.697 20 G HA2 -0.409 nan 3.960 nan 0.000 0.240 20 G HA3 -0.409 nan 3.960 nan 0.000 0.240 20 G C -1.723 173.242 174.900 0.108 0.000 1.346 20 G CA -0.119 45.068 45.100 0.145 0.000 0.887 20 G HN -0.664 7.602 8.290 0.084 0.073 0.569 21 L N 1.377 122.665 121.223 0.110 0.000 2.342 21 L HA 0.165 nan 4.340 nan 0.000 0.285 21 L C -1.162 175.741 176.870 0.056 0.000 1.095 21 L CA -0.654 54.146 54.840 -0.067 0.000 0.843 21 L CB 0.711 42.386 42.059 -0.639 0.000 1.201 21 L HN -0.273 8.101 8.230 0.241 0.000 0.445 22 R N 7.350 127.882 120.500 0.052 0.000 2.255 22 R HA 0.441 nan 4.340 nan 0.000 0.326 22 R C -1.141 175.235 176.300 0.126 0.000 0.986 22 R CA -0.294 55.874 56.100 0.113 0.000 0.847 22 R CB 1.171 31.490 30.300 0.032 0.000 1.111 22 R HN 0.327 8.602 8.270 0.008 0.000 0.452 23 K N 4.582 125.140 120.400 0.264 0.000 2.399 23 K HA 0.387 nan 4.320 nan 0.000 0.260 23 K C -1.732 174.946 176.600 0.129 0.000 1.049 23 K CA -2.552 53.763 56.287 0.048 0.000 0.890 23 K CB 3.773 36.064 32.500 -0.349 0.000 1.430 23 K HN 0.448 9.022 8.250 0.541 0.000 0.459 24 R N -0.750 119.746 120.500 -0.006 0.000 2.491 24 R HA 0.160 nan 4.340 nan 0.000 0.283 24 R C 1.123 177.480 176.300 0.095 0.000 1.072 24 R CA 0.591 56.712 56.100 0.035 0.000 1.048 24 R CB 0.074 30.350 30.300 -0.040 0.000 0.983 24 R HN 0.288 8.493 8.270 -0.108 0.000 0.450 25 V N 4.494 124.509 119.914 0.169 0.000 2.660 25 V HA -0.446 nan 4.120 nan 0.000 0.257 25 V C 0.716 176.778 176.094 -0.054 0.000 1.088 25 V CA 3.786 66.168 62.300 0.137 0.000 1.106 25 V CB -0.249 31.704 31.823 0.217 0.000 0.686 25 V HN 0.799 8.989 8.190 0.179 0.108 0.481 26 K N -0.995 119.361 120.400 -0.073 0.000 1.978 26 K HA -0.399 nan 4.320 nan 0.000 0.214 26 K C 1.409 177.878 176.600 -0.219 0.000 1.049 26 K CA 3.773 59.983 56.287 -0.128 0.000 0.939 26 K CB -0.611 31.827 32.500 -0.105 0.000 0.721 26 K HN -0.094 8.094 8.250 -0.035 0.041 0.441 27 V N -0.264 119.459 119.914 -0.318 0.000 2.278 27 V HA -0.448 nan 4.120 nan 0.000 0.251 27 V C 2.289 177.972 176.094 -0.685 0.000 1.062 27 V CA 3.772 65.707 62.300 -0.608 0.000 1.038 27 V CB -0.940 30.372 31.823 -0.852 0.000 0.646 27 V HN -0.589 7.444 8.190 -0.262 0.000 0.447 28 F N -1.807 117.866 119.950 -0.462 0.000 2.051 28 F HA -0.398 nan 4.527 nan 0.000 0.296 28 F C 2.460 178.013 175.800 -0.413 0.000 1.122 28 F CA 3.747 61.549 58.000 -0.330 0.000 1.201 28 F CB -0.329 38.482 39.000 -0.315 0.000 0.978 28 F HN -0.855 7.244 8.300 -0.335 0.000 0.472 29 Q N -2.368 117.135 119.800 -0.495 0.000 2.230 29 Q HA -0.265 nan 4.340 nan 0.000 0.202 29 Q C 1.323 177.202 176.000 -0.201 0.000 0.963 29 Q CA 2.406 57.846 55.803 -0.605 0.000 0.866 29 Q CB -0.024 28.159 28.738 -0.925 0.000 0.931 29 Q HN 0.199 8.168 8.270 -0.501 0.000 0.452 30 S N -1.353 114.241 115.700 -0.176 0.000 2.512 30 S HA 0.208 nan 4.470 nan 0.000 0.216 30 S C -0.584 173.988 174.600 -0.048 0.000 1.006 30 S CA 0.676 58.822 58.200 -0.091 0.000 0.915 30 S CB 1.681 64.827 63.200 -0.090 0.000 0.824 30 S HN -0.051 8.096 8.310 -0.227 0.027 0.497 31 S N 4.032 119.685 115.700 -0.077 0.000 2.448 31 S HA 0.041 nan 4.470 nan 0.000 0.279 31 S C -0.521 174.179 174.600 0.167 0.000 1.195 31 S CA 0.277 58.509 58.200 0.053 0.000 1.051 31 S CB 0.532 63.746 63.200 0.025 0.000 0.948 31 S HN -0.223 7.978 8.310 -0.181 0.000 0.493 32 T N 9.449 124.127 114.554 0.207 0.000 2.765 32 T HA -0.244 nan 4.350 nan 0.000 0.275 32 T C -0.110 174.768 174.700 0.297 0.000 1.007 32 T CA 2.439 64.669 62.100 0.216 0.000 1.175 32 T CB -0.343 68.636 68.868 0.185 0.000 0.993 32 T HN 0.613 8.955 8.240 0.169 0.000 0.510 33 N N 3.784 122.613 118.700 0.215 0.000 2.753 33 N HA -0.412 nan 4.740 nan 0.000 0.251 33 N C 0.475 176.036 175.510 0.085 0.000 1.097 33 N CA 1.755 54.909 53.050 0.174 0.000 0.786 33 N CB -1.686 36.980 38.487 0.299 0.000 1.137 33 N HN 0.610 9.096 8.380 0.177 0.000 0.566 34 Y N 1.111 121.328 120.300 -0.137 0.000 2.114 34 Y HA -0.511 nan 4.550 nan 0.000 0.284 34 Y C 0.434 176.252 175.900 -0.137 0.000 1.143 34 Y CA 5.229 63.065 58.100 -0.440 0.000 1.135 34 Y CB 0.107 38.228 38.460 -0.564 0.000 0.980 34 Y HN 0.241 8.561 8.280 0.148 0.049 0.499 35 A N -2.183 120.778 122.820 0.235 0.000 1.858 35 A HA -0.392 nan 4.320 nan 0.000 0.216 35 A C 1.839 179.480 177.584 0.094 0.000 1.190 35 A CA 3.439 55.674 52.037 0.330 0.000 0.617 35 A CB -1.153 18.060 19.000 0.354 0.000 0.827 35 A HN 0.265 8.588 8.150 0.287 0.000 0.443 36 E N -1.786 118.362 120.200 -0.088 0.000 2.118 36 E HA -0.439 nan 4.350 nan 0.000 0.195 36 E C 2.415 178.760 176.600 -0.425 0.000 0.992 36 E CA 3.638 59.804 56.400 -0.390 0.000 0.804 36 E CB -0.661 28.529 29.700 -0.849 0.000 0.741 36 E HN 0.159 8.498 8.360 -0.035 0.000 0.458 37 N N -0.079 118.473 118.700 -0.247 0.000 2.216 37 N HA -0.189 nan 4.740 nan 0.000 0.183 37 N C 1.993 177.472 175.510 -0.052 0.000 1.017 37 N CA 2.796 55.778 53.050 -0.113 0.000 0.861 37 N CB -0.293 38.200 38.487 0.010 0.000 0.986 37 N HN -0.007 8.253 8.380 -0.180 0.012 0.428 38 F N 2.264 122.111 119.950 -0.172 0.000 2.113 38 F HA -0.225 nan 4.527 nan 0.000 0.297 38 F C 1.460 177.208 175.800 -0.086 0.000 1.103 38 F CA 3.605 61.540 58.000 -0.108 0.000 1.248 38 F CB 0.252 39.222 39.000 -0.050 0.000 0.999 38 F HN -0.427 7.837 8.300 0.059 0.071 0.475 39 I N -0.920 119.590 120.570 -0.101 0.000 2.163 39 I HA -0.660 nan 4.170 nan 0.000 0.243 39 I C 1.489 177.459 176.117 -0.244 0.000 1.085 39 I CA 4.545 65.731 61.300 -0.190 0.000 1.347 39 I CB -0.253 37.695 38.000 -0.088 0.000 1.044 39 I HN 0.436 8.682 8.210 0.059 0.000 0.408 40 Q N -0.605 119.076 119.800 -0.199 0.000 2.170 40 Q HA -0.348 nan 4.340 nan 0.000 0.203 40 Q C 2.259 178.153 176.000 -0.177 0.000 0.976 40 Q CA 3.016 58.730 55.803 -0.148 0.000 0.858 40 Q CB -0.706 27.990 28.738 -0.071 0.000 0.907 40 Q HN 0.094 8.241 8.270 -0.205 0.000 0.433 41 S N 0.970 116.529 115.700 -0.235 0.000 2.383 41 S HA -0.251 nan 4.470 nan 0.000 0.227 41 S C 2.272 176.661 174.600 -0.350 0.000 1.026 41 S CA 3.935 61.987 58.200 -0.247 0.000 0.981 41 S CB -0.436 62.620 63.200 -0.240 0.000 0.818 41 S HN -0.375 7.673 8.310 -0.243 0.117 0.472 42 I N 2.114 122.366 120.570 -0.529 0.000 2.179 42 I HA -0.514 nan 4.170 nan 0.000 0.242 42 I C 1.497 177.316 176.117 -0.497 0.000 1.088 42 I CA 4.369 65.280 61.300 -0.647 0.000 1.357 42 I CB -0.014 37.503 38.000 -0.805 0.000 1.051 42 I HN -0.257 7.593 8.210 -0.600 0.000 0.409 43 I N -0.209 120.156 120.570 -0.341 0.000 2.361 43 I HA -0.580 nan 4.170 nan 0.000 0.251 43 I C 2.394 178.418 176.117 -0.154 0.000 1.133 43 I CA 4.553 65.725 61.300 -0.214 0.000 1.413 43 I CB -0.354 37.559 38.000 -0.146 0.000 1.073 43 I HN -0.221 7.792 8.210 -0.328 0.000 0.424 44 S N -0.545 115.066 115.700 -0.149 0.000 2.442 44 S HA -0.245 nan 4.470 nan 0.000 0.236 44 S C 1.696 176.245 174.600 -0.085 0.000 1.007 44 S CA 3.500 61.643 58.200 -0.095 0.000 0.965 44 S CB -0.348 62.803 63.200 -0.082 0.000 0.773 44 S HN -0.092 8.112 8.310 -0.173 0.002 0.504 45 T N -2.982 111.500 114.554 -0.121 0.000 3.072 45 T HA -0.088 nan 4.350 nan 0.000 0.266 45 T C 0.710 175.398 174.700 -0.021 0.000 1.127 45 T CA 0.972 63.033 62.100 -0.065 0.000 1.107 45 T CB 0.244 69.075 68.868 -0.062 0.000 0.910 45 T HN -0.468 7.514 8.240 -0.191 0.144 0.513 46 V N 4.846 124.741 119.914 -0.032 0.000 2.408 46 V HA 0.059 nan 4.120 nan 0.000 0.267 46 V C -0.803 175.292 176.094 0.002 0.000 1.047 46 V CA -0.890 61.414 62.300 0.007 0.000 0.937 46 V CB -0.386 31.444 31.823 0.012 0.000 0.999 46 V HN 0.064 8.039 8.190 -0.074 0.170 0.472 47 E N 8.593 128.801 120.200 0.013 0.000 2.415 47 E HA -0.026 nan 4.350 nan 0.000 0.260 47 E C -0.798 175.808 176.600 0.010 0.000 1.016 47 E CA -1.521 54.885 56.400 0.009 0.000 0.924 47 E CB 0.772 30.481 29.700 0.014 0.000 0.961 47 E HN 0.260 8.634 8.360 0.022 0.000 0.459 48 P HA -0.320 nan 4.420 nan 0.000 0.225 48 P C 0.714 178.023 177.300 0.014 0.000 1.154 48 P CA 3.273 66.376 63.100 0.006 0.000 0.933 48 P CB -0.184 31.517 31.700 0.003 0.000 0.790 49 A N -4.990 117.838 122.820 0.014 0.000 1.978 49 A HA -0.176 nan 4.320 nan 0.000 0.220 49 A C 1.637 179.236 177.584 0.024 0.000 1.170 49 A CA 2.369 54.417 52.037 0.018 0.000 0.636 49 A CB -0.527 18.482 19.000 0.015 0.000 0.810 49 A HN 0.195 8.346 8.150 0.011 0.006 0.448 50 Q N -4.450 115.365 119.800 0.025 0.000 2.403 50 Q HA -0.083 nan 4.340 nan 0.000 0.203 50 Q C 1.821 177.844 176.000 0.038 0.000 0.932 50 Q CA 0.896 56.718 55.803 0.031 0.000 0.945 50 Q CB -0.015 28.742 28.738 0.032 0.000 1.045 50 Q HN -0.142 8.019 8.270 0.022 0.122 0.511 51 R N -0.788 119.734 120.500 0.036 0.000 2.090 51 R HA -0.302 nan 4.340 nan 0.000 0.228 51 R C 2.062 178.398 176.300 0.060 0.000 1.110 51 R CA 3.464 59.590 56.100 0.044 0.000 0.973 51 R CB -0.144 30.174 30.300 0.030 0.000 0.869 51 R HN -0.397 7.730 8.270 0.030 0.161 0.440 52 Q N -1.042 118.795 119.800 0.061 0.000 2.112 52 Q HA -0.294 nan 4.340 nan 0.000 0.206 52 Q C 0.864 176.911 176.000 0.078 0.000 0.987 52 Q CA 2.708 58.557 55.803 0.077 0.000 0.858 52 Q CB -0.954 27.828 28.738 0.074 0.000 0.905 52 Q HN 0.301 8.602 8.270 0.052 0.000 0.420 53 E N -4.890 115.348 120.200 0.063 0.000 2.435 53 E HA 0.010 nan 4.350 nan 0.000 0.195 53 E C -0.579 176.055 176.600 0.056 0.000 1.029 53 E CA 0.341 56.775 56.400 0.056 0.000 0.865 53 E CB 0.004 29.731 29.700 0.046 0.000 0.833 53 E HN 0.300 8.694 8.360 0.057 0.000 0.510 54 A N -0.708 122.150 122.820 0.063 0.000 2.407 54 A HA 0.079 nan 4.320 nan 0.000 0.248 54 A C -1.475 176.155 177.584 0.076 0.000 1.082 54 A CA 0.489 52.565 52.037 0.066 0.000 0.785 54 A CB 1.078 20.120 19.000 0.069 0.000 1.020 54 A HN -0.663 7.342 8.150 0.066 0.184 0.489 55 T N 2.064 116.659 114.554 0.068 0.000 2.848 55 T HA 0.655 nan 4.350 nan 0.000 0.285 55 T C -1.459 173.286 174.700 0.076 0.000 0.995 55 T CA -0.072 62.069 62.100 0.069 0.000 0.970 55 T CB 1.443 70.338 68.868 0.045 0.000 0.976 55 T HN 0.231 8.507 8.240 0.060 0.000 0.441 56 L N 5.357 126.634 121.223 0.090 0.000 2.346 56 L HA 0.787 nan 4.340 nan 0.000 0.274 56 L C -1.385 175.529 176.870 0.073 0.000 1.007 56 L CA -1.165 53.734 54.840 0.097 0.000 0.818 56 L CB 3.228 45.362 42.059 0.125 0.000 1.284 56 L HN 0.191 8.481 8.230 0.098 0.000 0.424 57 V N 3.371 123.319 119.914 0.057 0.000 2.539 57 V HA 0.560 nan 4.120 nan 0.000 0.292 57 V C -1.352 174.769 176.094 0.046 0.000 1.045 57 V CA -0.435 61.889 62.300 0.039 0.000 0.945 57 V CB 0.706 32.541 31.823 0.019 0.000 0.993 57 V HN -0.122 8.102 8.190 0.057 0.000 0.464 58 V N 5.136 125.072 119.914 0.037 0.000 2.709 58 V HA 0.820 nan 4.120 nan 0.000 0.308 58 V C -1.630 174.473 176.094 0.015 0.000 1.062 58 V CA -1.646 60.674 62.300 0.033 0.000 0.901 58 V CB 3.294 35.139 31.823 0.037 0.000 1.003 58 V HN 0.531 8.740 8.190 0.032 0.000 0.425 59 G N 3.763 112.565 108.800 0.003 0.000 2.442 59 G HA2 0.439 nan 3.960 nan 0.000 0.296 59 G HA3 0.439 nan 3.960 nan 0.000 0.296 59 G C -2.731 172.155 174.900 -0.022 0.000 1.564 59 G CA 0.803 45.900 45.100 -0.005 0.000 0.828 59 G HN -0.013 8.278 8.290 0.003 0.000 0.571 60 G N -1.572 107.215 108.800 -0.021 0.000 2.949 60 G HA2 0.787 nan 3.960 nan 0.000 0.285 60 G HA3 0.787 nan 3.960 nan 0.000 0.285 60 G C -1.553 173.342 174.900 -0.008 0.000 1.395 60 G CA -0.726 44.351 45.100 -0.037 0.000 0.901 60 G HN 0.321 8.605 8.290 -0.010 0.000 0.519 61 D N -1.415 118.987 120.400 0.003 0.000 2.319 61 D HA -0.064 nan 4.640 nan 0.000 0.230 61 D C 1.108 177.423 176.300 0.025 0.000 1.094 61 D CA -1.565 52.474 54.000 0.065 0.000 0.856 61 D CB -0.549 40.350 40.800 0.165 0.000 0.915 61 D HN -0.272 8.082 8.370 -0.027 0.000 0.517 62 G N -0.246 108.541 108.800 -0.020 0.000 2.205 62 G HA2 -0.383 nan 3.960 nan 0.000 0.261 62 G HA3 -0.383 nan 3.960 nan 0.000 0.261 62 G C 0.248 175.067 174.900 -0.135 0.000 0.980 62 G CA 0.284 45.340 45.100 -0.073 0.000 0.632 62 G HN -0.561 7.631 8.290 -0.009 0.092 0.533 63 R N -1.378 119.046 120.500 -0.126 0.000 2.756 63 R HA -0.117 nan 4.340 nan 0.000 0.264 63 R C 0.108 176.515 176.300 0.177 0.000 1.026 63 R CA -0.043 56.023 56.100 -0.057 0.000 1.121 63 R CB 0.583 31.042 30.300 0.266 0.000 0.999 63 R HN -0.522 7.933 8.270 -0.050 -0.214 0.449 64 F N 3.703 123.701 119.950 0.079 0.000 2.646 64 F HA -0.450 nan 4.527 nan 0.000 0.363 64 F C -0.315 175.660 175.800 0.292 0.000 1.143 64 F CA 2.279 60.361 58.000 0.137 0.000 1.356 64 F CB 0.375 39.438 39.000 0.105 0.000 1.055 64 F HN 0.088 8.499 8.300 0.325 0.084 0.606 65 Y N 4.546 124.307 120.300 -0.899 0.000 4.929 65 Y HA -0.478 nan 4.550 nan 0.000 0.253 65 Y C -0.627 175.110 175.900 -0.271 0.000 0.946 65 Y CA 1.878 59.472 58.100 -0.843 0.000 1.905 65 Y CB -1.434 36.397 38.460 -1.048 0.000 1.400 65 Y HN 0.626 8.384 8.280 -0.870 0.000 0.531 66 M N -0.175 119.441 119.600 0.027 0.000 2.117 66 M HA -0.541 nan 4.480 nan 0.000 0.262 66 M C 0.689 176.899 176.300 -0.150 0.000 1.065 66 M CA 4.767 60.113 55.300 0.078 0.000 1.114 66 M CB -0.294 32.346 32.600 0.067 0.000 1.361 66 M HN -0.579 7.698 8.290 0.144 0.099 0.408 67 K N -2.029 118.255 120.400 -0.193 0.000 2.026 67 K HA -0.354 nan 4.320 nan 0.000 0.208 67 K C 1.654 178.102 176.600 -0.253 0.000 1.048 67 K CA 4.296 60.475 56.287 -0.181 0.000 0.929 67 K CB -1.084 31.334 32.500 -0.137 0.000 0.713 67 K HN 0.415 8.561 8.250 -0.172 0.000 0.439 68 E N -1.765 118.190 120.200 -0.408 0.000 2.106 68 E HA -0.227 nan 4.350 nan 0.000 0.192 68 E C 1.961 178.265 176.600 -0.492 0.000 0.984 68 E CA 2.528 58.672 56.400 -0.428 0.000 0.806 68 E CB -1.019 28.379 29.700 -0.503 0.000 0.750 68 E HN 0.178 8.250 8.360 -0.480 0.000 0.458 69 A N -0.286 122.094 122.820 -0.734 0.000 1.969 69 A HA -0.207 nan 4.320 nan 0.000 0.218 69 A C 2.258 179.725 177.584 -0.194 0.000 1.169 69 A CA 2.799 54.560 52.037 -0.459 0.000 0.635 69 A CB -0.762 18.007 19.000 -0.386 0.000 0.810 69 A HN -0.325 7.231 8.150 -0.990 0.000 0.445 70 I N -1.158 119.318 120.570 -0.158 0.000 2.252 70 I HA -0.577 nan 4.170 nan 0.000 0.245 70 I C 1.973 178.048 176.117 -0.070 0.000 1.102 70 I CA 4.083 65.336 61.300 -0.078 0.000 1.385 70 I CB -0.157 37.805 38.000 -0.062 0.000 1.064 70 I HN -0.057 7.948 8.210 -0.202 0.084 0.414 71 Q N -0.995 118.745 119.800 -0.099 0.000 2.124 71 Q HA -0.307 nan 4.340 nan 0.000 0.202 71 Q C 2.918 178.874 176.000 -0.074 0.000 0.977 71 Q CA 2.822 58.578 55.803 -0.078 0.000 0.850 71 Q CB -0.561 28.124 28.738 -0.088 0.000 0.901 71 Q HN -0.170 8.019 8.270 -0.135 0.000 0.429 72 L N -0.407 120.762 121.223 -0.090 0.000 2.046 72 L HA -0.340 nan 4.340 nan 0.000 0.208 72 L C 2.026 178.858 176.870 -0.063 0.000 1.077 72 L CA 3.151 57.949 54.840 -0.071 0.000 0.747 72 L CB -0.220 41.797 42.059 -0.069 0.000 0.896 72 L HN -0.317 7.756 8.230 -0.126 0.081 0.432 73 I N -0.950 119.589 120.570 -0.051 0.000 2.226 73 I HA -0.579 nan 4.170 nan 0.000 0.245 73 I C 1.879 177.978 176.117 -0.029 0.000 1.100 73 I CA 4.419 65.698 61.300 -0.035 0.000 1.374 73 I CB -0.428 37.566 38.000 -0.010 0.000 1.057 73 I HN -0.423 7.680 8.210 -0.056 0.073 0.413 74 V N 0.170 120.079 119.914 -0.009 0.000 2.233 74 V HA -0.546 nan 4.120 nan 0.000 0.247 74 V C 2.127 178.155 176.094 -0.110 0.000 1.050 74 V CA 4.912 67.228 62.300 0.028 0.000 1.010 74 V CB -1.001 30.851 31.823 0.048 0.000 0.637 74 V HN 0.183 8.364 8.190 -0.015 0.000 0.444 75 R N -1.267 119.161 120.500 -0.119 0.000 2.105 75 R HA -0.357 nan 4.340 nan 0.000 0.239 75 R C 2.967 179.175 176.300 -0.154 0.000 1.135 75 R CA 3.507 59.515 56.100 -0.154 0.000 0.967 75 R CB -0.186 30.060 30.300 -0.089 0.000 0.861 75 R HN -0.380 7.840 8.270 -0.084 0.000 0.442 76 I N -0.452 120.052 120.570 -0.111 0.000 2.333 76 I HA -0.360 nan 4.170 nan 0.000 0.246 76 I C 1.274 177.310 176.117 -0.136 0.000 1.106 76 I CA 3.398 64.647 61.300 -0.086 0.000 1.411 76 I CB -0.022 37.935 38.000 -0.072 0.000 1.082 76 I HN -0.066 8.088 8.210 -0.093 0.000 0.420 77 A N -0.379 122.348 122.820 -0.155 0.000 1.908 77 A HA -0.379 nan 4.320 nan 0.000 0.218 77 A C 1.682 179.070 177.584 -0.328 0.000 1.181 77 A CA 3.284 55.225 52.037 -0.160 0.000 0.627 77 A CB -1.094 17.869 19.000 -0.062 0.000 0.818 77 A HN 0.458 8.423 8.150 -0.128 0.108 0.445 78 A N -2.276 120.149 122.820 -0.659 0.000 1.845 78 A HA -0.326 nan 4.320 nan 0.000 0.215 78 A C 2.050 179.349 177.584 -0.474 0.000 1.195 78 A CA 2.910 54.314 52.037 -1.056 0.000 0.616 78 A CB -0.739 17.511 19.000 -1.249 0.000 0.832 78 A HN 0.122 7.925 8.150 -0.578 0.000 0.443 79 A N -2.055 120.585 122.820 -0.300 0.000 1.986 79 A HA -0.348 nan 4.320 nan 0.000 0.220 79 A C 1.998 179.514 177.584 -0.113 0.000 1.171 79 A CA 2.860 54.802 52.037 -0.159 0.000 0.640 79 A CB -0.750 18.193 19.000 -0.095 0.000 0.811 79 A HN -0.426 7.538 8.150 -0.310 0.000 0.451 80 N N -3.568 115.060 118.700 -0.119 0.000 2.521 80 N HA -0.160 nan 4.740 nan 0.000 0.188 80 N C 0.466 175.940 175.510 -0.060 0.000 1.146 80 N CA 1.351 54.356 53.050 -0.075 0.000 0.893 80 N CB 0.459 38.905 38.487 -0.070 0.000 0.975 80 N HN -0.340 7.848 8.380 -0.154 0.100 0.451 81 G N -1.231 107.525 108.800 -0.073 0.000 2.143 81 G HA2 -0.437 nan 3.960 nan 0.000 0.249 81 G HA3 -0.437 nan 3.960 nan 0.000 0.249 81 G C -0.586 174.323 174.900 0.015 0.000 0.981 81 G CA 0.272 45.360 45.100 -0.020 0.000 0.665 81 G HN -0.013 8.028 8.290 -0.118 0.179 0.528 82 I N 1.399 121.968 120.570 -0.001 0.000 2.517 82 I HA -0.210 nan 4.170 nan 0.000 0.285 82 I C 0.438 176.686 176.117 0.218 0.000 1.106 82 I CA -0.321 61.030 61.300 0.084 0.000 1.402 82 I CB -1.584 36.467 38.000 0.085 0.000 1.399 82 I HN -0.441 7.682 8.210 -0.072 0.043 0.535 83 G N 6.597 115.515 108.800 0.196 0.000 2.418 83 G HA2 -0.167 nan 3.960 nan 0.000 0.217 83 G HA3 -0.167 nan 3.960 nan 0.000 0.217 83 G C -1.363 173.693 174.900 0.260 0.000 1.158 83 G CA 1.337 46.575 45.100 0.231 0.000 0.771 83 G HN 0.557 8.929 8.290 0.137 0.000 0.545 84 R N -2.224 118.392 120.500 0.194 0.000 2.707 84 R HA 0.820 nan 4.340 nan 0.000 0.272 84 R C -2.614 173.745 176.300 0.098 0.000 1.011 84 R CA -0.862 55.275 56.100 0.061 0.000 0.893 84 R CB 3.999 34.304 30.300 0.009 0.000 1.233 84 R HN -0.635 7.743 8.270 0.179 0.000 0.464 85 L N 2.658 123.885 121.223 0.007 0.000 2.381 85 L HA 0.699 nan 4.340 nan 0.000 0.274 85 L C -2.019 174.852 176.870 0.002 0.000 0.988 85 L CA -1.128 53.745 54.840 0.055 0.000 0.824 85 L CB 3.511 45.643 42.059 0.121 0.000 1.263 85 L HN 0.205 8.345 8.230 -0.149 0.000 0.410 86 V N 4.930 124.855 119.914 0.019 0.000 2.347 86 V HA 0.583 nan 4.120 nan 0.000 0.280 86 V C -1.396 174.708 176.094 0.017 0.000 1.021 86 V CA -0.775 61.530 62.300 0.008 0.000 0.847 86 V CB 0.850 32.681 31.823 0.012 0.000 0.990 86 V HN 0.666 8.878 8.190 0.036 0.000 0.444 87 I N 6.644 127.221 120.570 0.011 0.000 2.474 87 I HA 0.584 nan 4.170 nan 0.000 0.294 87 I C -0.813 175.310 176.117 0.010 0.000 1.005 87 I CA -1.676 59.632 61.300 0.014 0.000 1.113 87 I CB 3.479 41.487 38.000 0.014 0.000 1.289 87 I HN 0.441 8.653 8.210 0.003 0.000 0.436 88 G N 3.185 111.993 108.800 0.013 0.000 2.527 88 G HA2 0.079 nan 3.960 nan 0.000 0.248 88 G HA3 0.079 nan 3.960 nan 0.000 0.248 88 G C -1.610 173.288 174.900 -0.002 0.000 1.231 88 G CA -0.885 44.221 45.100 0.010 0.000 0.838 88 G HN -0.075 8.224 8.290 0.015 0.000 0.570 89 Q N 3.582 123.375 119.800 -0.012 0.000 2.304 89 Q HA -0.487 nan 4.340 nan 0.000 0.301 89 Q C 0.873 176.862 176.000 -0.018 0.000 1.063 89 Q CA 1.670 57.463 55.803 -0.017 0.000 0.947 89 Q CB 0.446 29.168 28.738 -0.026 0.000 1.201 89 Q HN -0.080 8.182 8.270 -0.014 0.000 0.389 90 N N 4.245 122.936 118.700 -0.016 0.000 2.815 90 N HA -0.486 nan 4.740 nan 0.000 0.247 90 N C 0.163 175.662 175.510 -0.019 0.000 1.030 90 N CA 1.619 54.658 53.050 -0.018 0.000 0.881 90 N CB -0.754 37.721 38.487 -0.020 0.000 1.134 90 N HN 1.124 9.382 8.380 -0.013 0.114 0.582 91 G N -4.407 104.384 108.800 -0.014 0.000 2.217 91 G HA2 -0.503 nan 3.960 nan 0.000 0.246 91 G HA3 -0.503 nan 3.960 nan 0.000 0.246 91 G C -1.036 173.862 174.900 -0.004 0.000 0.990 91 G CA 0.416 45.508 45.100 -0.013 0.000 0.627 91 G HN 0.306 8.519 8.290 -0.011 0.071 0.522 92 I N 2.982 123.552 120.570 -0.000 0.000 2.505 92 I HA 0.106 nan 4.170 nan 0.000 0.287 92 I C -1.808 174.340 176.117 0.052 0.000 1.104 92 I CA 0.405 61.718 61.300 0.021 0.000 1.387 92 I CB -1.299 36.708 38.000 0.011 0.000 1.404 92 I HN -0.409 7.712 8.210 -0.008 0.085 0.528 93 L N 9.079 130.346 121.223 0.074 0.000 2.580 93 L HA 0.243 nan 4.340 nan 0.000 0.266 93 L C -2.039 174.850 176.870 0.032 0.000 0.955 93 L CA -0.954 53.947 54.840 0.101 0.000 0.886 93 L CB 2.949 45.034 42.059 0.044 0.000 1.263 93 L HN 0.086 8.346 8.230 0.049 0.000 0.406 94 S N 3.771 119.441 115.700 -0.051 0.000 2.580 94 S HA 0.111 nan 4.470 nan 0.000 0.266 94 S C 0.919 175.367 174.600 -0.252 0.000 1.354 94 S CA -0.060 57.965 58.200 -0.292 0.000 1.008 94 S CB 2.265 64.987 63.200 -0.796 0.000 0.898 94 S HN 0.393 8.779 8.310 0.127 0.000 0.555 95 T N 4.488 118.908 114.554 -0.223 0.000 2.788 95 T HA 0.007 nan 4.350 nan 0.000 0.268 95 T C -0.039 174.531 174.700 -0.217 0.000 1.044 95 T CA 6.200 68.187 62.100 -0.188 0.000 1.139 95 T CB -2.125 66.643 68.868 -0.167 0.000 0.867 95 T HN 0.586 8.589 8.240 -0.212 0.109 0.454 96 P HA -0.120 nan 4.420 nan 0.000 0.216 96 P C 0.537 177.752 177.300 -0.141 0.000 1.153 96 P CA 2.610 65.595 63.100 -0.191 0.000 0.844 96 P CB -0.468 31.129 31.700 -0.170 0.000 0.787 97 A N -2.134 120.489 122.820 -0.328 0.000 1.877 97 A HA -0.259 nan 4.320 nan 0.000 0.216 97 A C 2.141 179.721 177.584 -0.006 0.000 1.186 97 A CA 3.331 55.311 52.037 -0.096 0.000 0.620 97 A CB -0.742 18.207 19.000 -0.085 0.000 0.822 97 A HN -0.108 7.639 8.150 -0.548 0.074 0.443 98 V N -1.129 118.749 119.914 -0.060 0.000 2.332 98 V HA -0.506 nan 4.120 nan 0.000 0.248 98 V C 2.070 178.128 176.094 -0.060 0.000 1.055 98 V CA 4.442 66.714 62.300 -0.046 0.000 1.038 98 V CB -1.269 30.515 31.823 -0.066 0.000 0.651 98 V HN 0.220 8.347 8.190 -0.104 0.000 0.450 99 S N -0.805 114.837 115.700 -0.096 0.000 2.359 99 S HA -0.342 nan 4.470 nan 0.000 0.224 99 S C 1.454 176.014 174.600 -0.067 0.000 1.035 99 S CA 3.867 61.996 58.200 -0.119 0.000 1.018 99 S CB -0.262 62.825 63.200 -0.190 0.000 0.876 99 S HN -0.166 8.073 8.310 -0.119 0.000 0.448 100 C N 2.014 121.307 119.300 -0.011 0.000 2.413 100 C HA -0.304 nan 4.460 nan 0.000 0.278 100 C C 1.811 176.821 174.990 0.034 0.000 1.224 100 C CA 3.682 62.726 59.018 0.043 0.000 1.732 100 C CB -1.664 26.180 27.740 0.172 0.000 2.050 100 C HN -0.189 8.040 8.230 -0.001 0.000 0.463 101 I N 0.289 120.884 120.570 0.041 0.000 2.315 101 I HA -0.566 nan 4.170 nan 0.000 0.248 101 I C 1.849 177.971 176.117 0.009 0.000 1.117 101 I CA 4.346 65.665 61.300 0.032 0.000 1.404 101 I CB -0.098 37.925 38.000 0.038 0.000 1.071 101 I HN 0.137 8.376 8.210 0.049 0.000 0.419 102 I N -0.004 120.559 120.570 -0.011 0.000 2.127 102 I HA -0.648 nan 4.170 nan 0.000 0.241 102 I C 2.252 178.358 176.117 -0.019 0.000 1.075 102 I CA 4.637 65.923 61.300 -0.023 0.000 1.334 102 I CB -0.501 37.466 38.000 -0.056 0.000 1.040 102 I HN -0.099 8.100 8.210 -0.018 0.000 0.405 103 R N -1.692 118.794 120.500 -0.023 0.000 2.075 103 R HA -0.374 nan 4.340 nan 0.000 0.232 103 R C 2.072 178.370 176.300 -0.004 0.000 1.126 103 R CA 3.711 59.801 56.100 -0.016 0.000 0.963 103 R CB -0.280 30.006 30.300 -0.023 0.000 0.858 103 R HN -0.239 8.012 8.270 -0.031 0.000 0.435 104 K N 0.321 120.722 120.400 0.002 0.000 2.002 104 K HA -0.185 nan 4.320 nan 0.000 0.209 104 K C 2.738 179.342 176.600 0.007 0.000 1.048 104 K CA 3.234 59.525 56.287 0.007 0.000 0.930 104 K CB 0.311 32.821 32.500 0.015 0.000 0.714 104 K HN 0.044 8.295 8.250 0.002 0.000 0.438 105 I N -7.243 113.332 120.570 0.008 0.000 3.861 105 I HA 0.121 nan 4.170 nan 0.000 0.329 105 I C -0.647 175.476 176.117 0.009 0.000 1.321 105 I CA -0.023 61.283 61.300 0.009 0.000 1.126 105 I CB 0.123 38.130 38.000 0.011 0.000 1.018 105 I HN -0.108 8.107 8.210 0.009 0.000 0.407 106 K N -3.214 117.189 120.400 0.006 0.000 3.257 106 K HA -0.383 nan 4.320 nan 0.000 0.270 106 K C -0.630 175.976 176.600 0.010 0.000 0.984 106 K CA 0.409 56.700 56.287 0.006 0.000 0.739 106 K CB -3.409 29.097 32.500 0.009 0.000 1.351 106 K HN -0.302 7.872 8.250 0.003 0.078 0.463 107 A N -2.443 120.382 122.820 0.007 0.000 2.346 107 A HA 0.162 nan 4.320 nan 0.000 0.252 107 A C -0.297 177.296 177.584 0.014 0.000 1.089 107 A CA -0.301 51.745 52.037 0.016 0.000 0.797 107 A CB 1.106 20.115 19.000 0.015 0.000 1.047 107 A HN -0.385 7.766 8.150 0.002 0.000 0.494 108 I N -0.773 119.820 120.570 0.038 0.000 2.830 108 I HA -0.175 nan 4.170 nan 0.000 0.263 108 I C -1.218 174.911 176.117 0.020 0.000 1.230 108 I CA 1.086 62.414 61.300 0.048 0.000 1.480 108 I CB 0.984 39.036 38.000 0.087 0.000 1.095 108 I HN 0.155 8.395 8.210 0.051 0.000 0.455 109 G N -5.815 102.983 108.800 -0.003 0.000 2.345 109 G HA2 -0.044 nan 3.960 nan 0.000 0.285 109 G HA3 -0.044 nan 3.960 nan 0.000 0.285 109 G C -2.864 172.005 174.900 -0.052 0.000 1.297 109 G CA -0.251 44.768 45.100 -0.136 0.000 0.875 109 G HN -0.943 7.336 8.290 0.028 0.028 0.506 110 G N -2.785 105.952 108.800 -0.105 0.000 2.696 110 G HA2 0.915 nan 3.960 nan 0.000 0.295 110 G HA3 0.915 nan 3.960 nan 0.000 0.295 110 G C -2.552 172.425 174.900 0.129 0.000 1.398 110 G CA -0.687 44.430 45.100 0.029 0.000 0.920 110 G HN 0.048 8.024 8.290 -0.340 0.111 0.492 111 I N 2.727 123.391 120.570 0.157 0.000 2.307 111 I HA 0.532 nan 4.170 nan 0.000 0.289 111 I C -1.143 175.014 176.117 0.068 0.000 1.021 111 I CA -0.587 60.815 61.300 0.171 0.000 1.224 111 I CB 0.930 39.013 38.000 0.138 0.000 1.376 111 I HN 0.391 8.670 8.210 0.116 0.000 0.470 112 I N 7.328 127.918 120.570 0.034 0.000 2.359 112 I HA 0.421 nan 4.170 nan 0.000 0.294 112 I C -1.299 174.775 176.117 -0.072 0.000 0.987 112 I CA -1.132 60.151 61.300 -0.028 0.000 1.225 112 I CB 1.447 39.414 38.000 -0.055 0.000 1.366 112 I HN 0.850 8.991 8.210 0.063 0.106 0.466 113 L N 7.293 128.442 121.223 -0.123 0.000 2.301 113 L HA 0.594 nan 4.340 nan 0.000 0.278 113 L C -1.674 175.012 176.870 -0.307 0.000 1.022 113 L CA -1.683 52.991 54.840 -0.278 0.000 0.854 113 L CB -1.892 40.016 42.059 -0.250 0.000 1.226 113 L HN 0.238 8.415 8.230 -0.089 0.000 0.429 114 T N 4.383 118.732 114.554 -0.342 0.000 2.830 114 T HA 0.468 nan 4.350 nan 0.000 0.322 114 T C -2.690 171.857 174.700 -0.255 0.000 1.501 114 T CA -0.918 61.037 62.100 -0.241 0.000 1.036 114 T CB 3.393 72.188 68.868 -0.122 0.000 1.379 114 T HN -0.380 7.644 8.240 -0.360 0.000 0.493 118 N N 5.883 124.040 118.700 -0.905 0.000 2.452 118 N HA 0.150 nan 4.740 nan 0.000 0.266 118 N C -1.812 173.387 175.510 -0.519 0.000 1.209 118 N CA -0.955 51.681 53.050 -0.690 0.000 0.929 118 N CB -0.831 37.360 38.487 -0.493 0.000 1.063 118 N HN -0.147 7.683 8.380 -0.916 0.000 0.472 119 P HA -0.126 nan 4.420 nan 0.000 0.267 119 P C -0.858 176.474 177.300 0.054 0.000 1.201 119 P CA 0.201 63.156 63.100 -0.243 0.000 0.775 119 P CB 0.711 32.297 31.700 -0.191 0.000 0.854 120 G N -0.687 108.353 108.800 0.401 0.000 2.509 120 G HA2 0.266 nan 3.960 nan 0.000 0.328 120 G HA3 0.266 nan 3.960 nan 0.000 0.328 120 G C -1.242 173.816 174.900 0.263 0.000 1.194 120 G CA -1.357 44.014 45.100 0.450 0.000 0.967 120 G HN 0.244 8.901 8.290 0.611 0.000 0.488 121 G N -1.490 107.434 108.800 0.206 0.000 2.351 121 G HA2 0.022 nan 3.960 nan 0.000 0.353 121 G HA3 0.022 nan 3.960 nan 0.000 0.353 121 G C -1.640 172.989 174.900 -0.453 0.000 1.358 121 G CA -0.205 44.851 45.100 -0.073 0.000 0.995 121 G HN -0.528 7.979 8.290 0.362 0.000 0.611 122 P HA -0.105 nan 4.420 nan 0.000 0.218 122 P C -1.159 175.909 177.300 -0.386 0.000 1.146 122 P CA 1.490 64.019 63.100 -0.952 0.000 0.813 122 P CB 0.239 31.584 31.700 -0.592 0.000 0.778 123 N N -5.172 113.396 118.700 -0.220 0.000 2.377 123 N HA 0.052 nan 4.740 nan 0.000 0.259 123 N C -0.322 175.168 175.510 -0.034 0.000 1.332 123 N CA -1.215 51.777 53.050 -0.097 0.000 0.877 123 N CB 0.268 38.704 38.487 -0.085 0.000 1.299 123 N HN -0.074 8.139 8.380 -0.226 0.032 0.501 124 G N -0.165 108.637 108.800 0.004 0.000 2.736 124 G HA2 0.207 nan 3.960 nan 0.000 0.229 124 G HA3 0.207 nan 3.960 nan 0.000 0.229 124 G C -2.245 172.715 174.900 0.099 0.000 1.380 124 G CA -0.939 44.191 45.100 0.049 0.000 1.040 124 G HN -0.420 7.759 8.290 -0.014 0.102 0.568 125 D N -1.151 119.309 120.400 0.100 0.000 2.229 125 D HA 0.869 nan 4.640 nan 0.000 0.249 125 D C -2.050 174.413 176.300 0.272 0.000 1.027 125 D CA -0.830 53.251 54.000 0.136 0.000 0.923 125 D CB 3.284 44.090 40.800 0.010 0.000 1.174 125 D HN -0.160 8.251 8.370 0.068 0.000 0.443 126 F N 2.838 122.866 119.950 0.130 0.000 2.588 126 F HA 0.406 nan 4.527 nan 0.000 0.314 126 F C -2.395 173.436 175.800 0.053 0.000 1.069 126 F CA -1.088 56.958 58.000 0.078 0.000 0.931 126 F CB 4.077 43.089 39.000 0.019 0.000 1.260 126 F HN 0.738 9.271 8.300 0.388 0.000 0.465 127 G N 1.478 109.958 108.800 -0.534 0.000 2.682 127 G HA2 0.523 nan 3.960 nan 0.000 0.300 127 G HA3 0.523 nan 3.960 nan 0.000 0.300 127 G C -2.276 172.421 174.900 -0.337 0.000 1.391 127 G CA -0.869 44.086 45.100 -0.241 0.000 0.990 127 G HN 0.029 7.486 8.290 -1.389 0.000 0.501 128 I N 1.988 122.535 120.570 -0.039 0.000 2.437 128 I HA 0.208 nan 4.170 nan 0.000 0.279 128 I C -1.962 174.273 176.117 0.197 0.000 1.028 128 I CA -0.595 60.758 61.300 0.088 0.000 1.142 128 I CB 1.760 39.956 38.000 0.327 0.000 1.266 128 I HN 0.188 8.443 8.210 0.076 0.000 0.461 129 K N 7.804 128.272 120.400 0.112 0.000 2.183 129 K HA 0.358 nan 4.320 nan 0.000 0.274 129 K C -2.373 174.353 176.600 0.211 0.000 1.009 129 K CA -1.449 54.921 56.287 0.138 0.000 0.888 129 K CB 3.261 35.781 32.500 0.033 0.000 1.078 129 K HN 0.480 8.748 8.250 0.029 0.000 0.459 130 F N 5.619 125.599 119.950 0.051 0.000 2.426 130 F HA 0.489 nan 4.527 nan 0.000 0.348 130 F C -2.145 173.656 175.800 0.002 0.000 1.124 130 F CA -2.518 55.492 58.000 0.017 0.000 1.008 130 F CB 2.680 41.684 39.000 0.007 0.000 1.139 130 F HN 0.389 8.877 8.300 0.313 0.000 0.452 131 N N 7.078 125.492 118.700 -0.477 0.000 2.456 131 N HA 0.759 nan 4.740 nan 0.000 0.296 131 N C -0.774 174.222 175.510 -0.857 0.000 1.102 131 N CA -0.826 51.925 53.050 -0.497 0.000 0.924 131 N CB 2.668 40.985 38.487 -0.283 0.000 1.186 131 N HN 0.398 8.592 8.380 -0.310 0.000 0.492 132 I N -2.397 117.837 120.570 -0.560 0.000 3.514 132 I HA 0.689 nan 4.170 nan 0.000 0.300 132 I C 0.728 176.708 176.117 -0.229 0.000 1.194 132 I CA -2.123 58.910 61.300 -0.445 0.000 0.968 132 I CB 1.984 39.833 38.000 -0.252 0.000 1.418 132 I HN 0.831 8.818 8.210 -0.370 0.000 0.614 133 S N 0.959 116.581 115.700 -0.129 0.000 2.462 133 S HA -0.407 nan 4.470 nan 0.000 0.243 133 S C 0.416 174.985 174.600 -0.052 0.000 1.003 133 S CA 2.964 61.123 58.200 -0.068 0.000 0.970 133 S CB -0.499 62.684 63.200 -0.027 0.000 0.762 133 S HN 0.364 8.606 8.310 -0.113 0.000 0.510 134 N N -2.474 116.196 118.700 -0.051 0.000 2.398 134 N HA 0.009 nan 4.740 nan 0.000 0.188 134 N C 0.706 176.190 175.510 -0.043 0.000 1.122 134 N CA -0.201 52.834 53.050 -0.025 0.000 0.866 134 N CB -0.328 38.161 38.487 0.003 0.000 0.970 134 N HN -0.490 7.813 8.380 -0.063 0.039 0.462 135 G N -0.229 108.520 108.800 -0.085 0.000 2.213 135 G HA2 -0.321 nan 3.960 nan 0.000 0.236 135 G HA3 -0.321 nan 3.960 nan 0.000 0.236 135 G C -0.401 174.400 174.900 -0.164 0.000 0.991 135 G CA 0.037 45.068 45.100 -0.116 0.000 0.629 135 G HN 0.565 8.620 8.290 -0.102 0.174 0.517 136 G N 0.467 109.191 108.800 -0.127 0.000 2.521 136 G HA2 0.512 nan 3.960 nan 0.000 0.323 136 G HA3 0.512 nan 3.960 nan 0.000 0.323 136 G C -3.075 171.747 174.900 -0.131 0.000 1.211 136 G CA -2.580 42.436 45.100 -0.140 0.000 0.979 136 G HN -0.481 7.960 8.290 -0.080 -0.199 0.490 137 P HA -0.090 nan 4.420 nan 0.000 0.268 137 P C -1.263 176.010 177.300 -0.044 0.000 1.205 137 P CA -0.792 62.268 63.100 -0.066 0.000 0.771 137 P CB 0.223 31.920 31.700 -0.005 0.000 0.858 138 A N 5.143 127.925 122.820 -0.063 0.000 2.567 138 A HA -0.051 nan 4.320 nan 0.000 0.240 138 A C -1.272 176.334 177.584 0.036 0.000 1.053 138 A CA -1.288 50.743 52.037 -0.009 0.000 0.755 138 A CB -0.797 18.284 19.000 0.136 0.000 0.978 138 A HN 0.008 8.111 8.150 -0.078 0.000 0.507 139 P HA 0.083 nan 4.420 nan 0.000 0.272 139 P C 0.438 177.759 177.300 0.035 0.000 1.240 139 P CA -0.689 62.420 63.100 0.015 0.000 0.791 139 P CB 0.838 32.540 31.700 0.004 0.000 0.978 140 E N 1.670 121.881 120.200 0.018 0.000 2.147 140 E HA -0.494 nan 4.350 nan 0.000 0.199 140 E C 2.119 178.751 176.600 0.054 0.000 1.005 140 E CA 4.115 60.535 56.400 0.034 0.000 0.810 140 E CB -0.310 29.403 29.700 0.021 0.000 0.736 140 E HN 0.640 8.995 8.360 -0.008 0.000 0.460 141 A N -0.943 121.906 122.820 0.047 0.000 1.933 141 A HA -0.171 nan 4.320 nan 0.000 0.218 141 A C 2.133 179.761 177.584 0.074 0.000 1.175 141 A CA 2.899 54.969 52.037 0.056 0.000 0.628 141 A CB -0.900 18.127 19.000 0.044 0.000 0.814 141 A HN 0.300 8.461 8.150 0.034 0.009 0.444 142 I N -3.142 117.478 120.570 0.084 0.000 2.333 142 I HA -0.308 nan 4.170 nan 0.000 0.246 142 I C 1.932 178.128 176.117 0.131 0.000 1.106 142 I CA 1.964 63.332 61.300 0.114 0.000 1.411 142 I CB -1.044 37.042 38.000 0.144 0.000 1.082 142 I HN -0.057 8.073 8.210 0.074 0.125 0.420 143 T N -0.439 114.196 114.554 0.134 0.000 2.867 143 T HA -0.319 nan 4.350 nan 0.000 0.268 143 T C 2.092 176.891 174.700 0.165 0.000 1.057 143 T CA 4.273 66.464 62.100 0.153 0.000 1.136 143 T CB -0.703 68.244 68.868 0.131 0.000 0.874 143 T HN 0.005 8.314 8.240 0.114 0.000 0.466 144 D N 2.431 122.918 120.400 0.146 0.000 2.117 144 D HA -0.200 nan 4.640 nan 0.000 0.198 144 D C 1.458 177.875 176.300 0.195 0.000 0.982 144 D CA 4.233 58.350 54.000 0.195 0.000 0.828 144 D CB 0.075 40.963 40.800 0.146 0.000 0.967 144 D HN 0.158 8.597 8.370 0.115 0.000 0.464 145 K N 0.328 120.802 120.400 0.123 0.000 2.063 145 K HA -0.270 nan 4.320 nan 0.000 0.208 145 K C 2.547 179.189 176.600 0.070 0.000 1.048 145 K CA 3.312 59.646 56.287 0.079 0.000 0.928 145 K CB -0.022 32.512 32.500 0.057 0.000 0.713 145 K HN -0.609 7.707 8.250 0.110 0.000 0.442 146 I N -0.982 119.634 120.570 0.077 0.000 2.286 146 I HA -0.488 nan 4.170 nan 0.000 0.248 146 I C 1.860 178.071 176.117 0.157 0.000 1.115 146 I CA 3.685 65.002 61.300 0.029 0.000 1.392 146 I CB -0.185 37.797 38.000 -0.030 0.000 1.065 146 I HN -0.115 8.151 8.210 0.094 0.000 0.418 147 F N 1.581 121.574 119.950 0.071 0.000 2.113 147 F HA -0.393 nan 4.527 nan 0.000 0.297 147 F C 1.359 177.192 175.800 0.054 0.000 1.103 147 F CA 3.341 61.394 58.000 0.088 0.000 1.248 147 F CB -0.083 38.968 39.000 0.084 0.000 0.999 147 F HN -0.172 8.237 8.300 0.337 0.093 0.475 148 Q N -1.858 117.931 119.800 -0.017 0.000 2.170 148 Q HA -0.334 nan 4.340 nan 0.000 0.203 148 Q C 3.022 178.950 176.000 -0.120 0.000 0.976 148 Q CA 2.296 58.002 55.803 -0.162 0.000 0.858 148 Q CB -0.614 28.097 28.738 -0.045 0.000 0.907 148 Q HN 0.474 8.721 8.270 0.138 0.105 0.433 149 I N -0.320 120.221 120.570 -0.048 0.000 2.163 149 I HA -0.488 nan 4.170 nan 0.000 0.240 149 I C 1.707 177.800 176.117 -0.041 0.000 1.081 149 I CA 3.637 64.910 61.300 -0.044 0.000 1.353 149 I CB -0.142 37.830 38.000 -0.045 0.000 1.054 149 I HN 0.010 8.211 8.210 -0.008 0.005 0.407 150 S N -0.421 115.275 115.700 -0.008 0.000 2.419 150 S HA -0.401 nan 4.470 nan 0.000 0.235 150 S C 2.217 176.813 174.600 -0.007 0.000 1.019 150 S CA 3.565 61.786 58.200 0.034 0.000 0.982 150 S CB -0.166 63.134 63.200 0.167 0.000 0.789 150 S HN 0.109 8.322 8.310 0.021 0.110 0.490 151 K N -0.832 119.493 120.400 -0.125 0.000 2.103 151 K HA -0.139 nan 4.320 nan 0.000 0.204 151 K C 0.879 177.417 176.600 -0.104 0.000 1.052 151 K CA 2.358 58.537 56.287 -0.180 0.000 0.945 151 K CB 0.291 32.559 32.500 -0.387 0.000 0.722 151 K HN -0.371 7.744 8.250 -0.180 0.027 0.443 152 T N -6.968 107.535 114.554 -0.085 0.000 3.085 152 T HA 0.119 nan 4.350 nan 0.000 0.264 152 T C 0.650 175.335 174.700 -0.025 0.000 1.019 152 T CA -1.222 60.846 62.100 -0.054 0.000 0.910 152 T CB 0.387 69.220 68.868 -0.058 0.000 1.059 152 T HN -0.688 7.495 8.240 -0.096 0.000 0.542 153 I N 3.886 124.452 120.570 -0.007 0.000 2.741 153 I HA -0.139 nan 4.170 nan 0.000 0.288 153 I C -1.167 174.968 176.117 0.031 0.000 1.192 153 I CA 1.266 62.576 61.300 0.018 0.000 1.426 153 I CB 0.811 38.834 38.000 0.038 0.000 1.367 153 I HN -0.597 7.606 8.210 -0.012 0.000 0.563 154 E N 6.538 126.753 120.200 0.025 0.000 2.447 154 E HA -0.019 nan 4.350 nan 0.000 0.204 154 E C -1.080 175.534 176.600 0.024 0.000 0.977 154 E CA 0.952 57.363 56.400 0.018 0.000 0.950 154 E CB 1.021 30.719 29.700 -0.002 0.000 0.975 154 E HN 0.457 8.828 8.360 0.018 0.000 0.496 155 E N -3.909 116.315 120.200 0.040 0.000 2.429 155 E HA 0.476 nan 4.350 nan 0.000 0.280 155 E C -2.098 174.566 176.600 0.107 0.000 1.068 155 E CA -1.311 55.096 56.400 0.011 0.000 0.837 155 E CB 3.296 32.957 29.700 -0.065 0.000 1.357 155 E HN -0.433 7.954 8.360 0.045 0.000 0.455 156 Y N -5.706 114.586 120.300 -0.013 0.000 2.588 156 Y HA 0.676 nan 4.550 nan 0.000 0.343 156 Y C -2.575 173.307 175.900 -0.029 0.000 1.065 156 Y CA -2.210 55.876 58.100 -0.023 0.000 1.038 156 Y CB 3.185 41.635 38.460 -0.016 0.000 1.297 156 Y HN 0.446 8.529 8.280 -0.328 0.000 0.467 157 A N 0.319 123.226 122.820 0.145 0.000 2.324 157 A HA 0.906 nan 4.320 nan 0.000 0.330 157 A C -1.991 175.656 177.584 0.105 0.000 1.165 157 A CA -1.854 50.206 52.037 0.039 0.000 0.813 157 A CB 1.700 20.700 19.000 -0.000 0.000 1.197 157 A HN 0.242 8.832 8.150 0.181 -0.331 0.484 158 I N 1.190 121.786 120.570 0.043 0.000 2.913 158 I HA 0.273 nan 4.170 nan 0.000 0.302 158 I C -2.317 173.784 176.117 -0.026 0.000 1.246 158 I CA -0.859 60.466 61.300 0.041 0.000 1.010 158 I CB 5.024 43.121 38.000 0.162 0.000 1.259 158 I HN 0.678 8.880 8.210 -0.014 0.000 0.434 159 C N 8.599 127.862 119.300 -0.063 0.000 2.146 159 C HA 0.478 nan 4.460 nan 0.000 0.338 159 C C -0.382 174.577 174.990 -0.052 0.000 1.074 159 C CA -2.948 56.025 59.018 -0.075 0.000 1.527 159 C CB -2.383 25.279 27.740 -0.131 0.000 1.915 159 C HN 0.321 8.392 8.230 -0.082 0.109 0.453 160 P HA -0.297 nan 4.420 nan 0.000 0.217 160 P C 0.832 178.123 177.300 -0.016 0.000 1.158 160 P CA 2.698 65.792 63.100 -0.010 0.000 0.887 160 P CB 0.110 31.808 31.700 -0.004 0.000 0.792 161 D N -4.249 116.140 120.400 -0.019 0.000 2.234 161 D HA -0.191 nan 4.640 nan 0.000 0.205 161 D C 0.331 176.615 176.300 -0.028 0.000 0.962 161 D CA 0.357 54.349 54.000 -0.013 0.000 0.855 161 D CB -0.802 39.998 40.800 0.000 0.000 0.951 161 D HN 0.286 8.620 8.370 -0.020 0.024 0.500 162 L N 0.967 122.147 121.223 -0.072 0.000 2.513 162 L HA -0.154 nan 4.340 nan 0.000 0.272 162 L C -0.879 175.914 176.870 -0.128 0.000 1.187 162 L CA 0.791 55.544 54.840 -0.145 0.000 0.895 162 L CB 0.404 42.302 42.059 -0.269 0.000 1.147 162 L HN -0.732 7.452 8.230 -0.076 0.000 0.483 163 K N 3.918 124.260 120.400 -0.095 0.000 2.464 163 K HA 0.245 nan 4.320 nan 0.000 0.253 163 K C -1.900 174.714 176.600 0.023 0.000 0.933 163 K CA -1.091 55.175 56.287 -0.034 0.000 0.801 163 K CB 3.249 35.759 32.500 0.015 0.000 1.271 163 K HN -0.268 7.945 8.250 -0.062 0.000 0.430 164 V N 3.323 123.256 119.914 0.032 0.000 2.709 164 V HA 0.262 nan 4.120 nan 0.000 0.308 164 V C -2.017 174.121 176.094 0.074 0.000 1.062 164 V CA -1.828 60.544 62.300 0.119 0.000 0.901 164 V CB 3.203 35.086 31.823 0.100 0.000 1.003 164 V HN 0.036 8.452 8.190 0.002 -0.225 0.425 165 D N 6.393 126.843 120.400 0.083 0.000 2.339 165 D HA 0.065 nan 4.640 nan 0.000 0.241 165 D C 0.574 176.893 176.300 0.031 0.000 1.183 165 D CA -0.961 53.065 54.000 0.043 0.000 0.859 165 D CB 0.449 41.272 40.800 0.037 0.000 1.067 165 D HN 0.205 8.646 8.370 0.120 0.000 0.484 166 L N 6.615 127.847 121.223 0.015 0.000 2.465 166 L HA -0.031 nan 4.340 nan 0.000 0.224 166 L C 1.265 178.135 176.870 -0.001 0.000 1.145 166 L CA 0.782 55.626 54.840 0.006 0.000 0.834 166 L CB -0.099 41.956 42.059 -0.006 0.000 0.944 166 L HN 0.487 8.723 8.230 0.010 0.000 0.451 167 G N -2.243 106.556 108.800 -0.001 0.000 2.777 167 G HA2 -0.062 nan 3.960 nan 0.000 0.211 167 G HA3 -0.062 nan 3.960 nan 0.000 0.211 167 G C -0.975 173.921 174.900 -0.006 0.000 1.149 167 G CA 0.481 45.578 45.100 -0.005 0.000 0.785 167 G HN -0.072 8.438 8.290 0.002 -0.218 0.536 168 V N 2.851 122.763 119.914 -0.002 0.000 2.348 168 V HA 0.053 nan 4.120 nan 0.000 0.270 168 V C -0.733 175.355 176.094 -0.010 0.000 1.037 168 V CA -0.421 61.876 62.300 -0.006 0.000 0.872 168 V CB -0.146 31.676 31.823 -0.003 0.000 1.002 168 V HN -1.018 7.123 8.190 0.003 0.051 0.464 169 L N 7.140 128.355 121.223 -0.013 0.000 2.483 169 L HA -0.040 nan 4.340 nan 0.000 0.276 169 L C 0.380 177.238 176.870 -0.020 0.000 1.213 169 L CA 0.757 55.587 54.840 -0.015 0.000 0.843 169 L CB 0.022 42.072 42.059 -0.015 0.000 1.107 169 L HN 0.218 8.440 8.230 -0.013 0.000 0.487 170 G N 1.154 109.940 108.800 -0.023 0.000 2.462 170 G HA2 -0.143 nan 3.960 nan 0.000 0.685 170 G HA3 -0.143 nan 3.960 nan 0.000 0.685 170 G C -2.563 172.311 174.900 -0.043 0.000 1.295 170 G CA -0.797 44.284 45.100 -0.032 0.000 0.941 170 G HN 0.262 8.432 8.290 -0.020 0.109 0.554 171 K N 1.439 121.804 120.400 -0.058 0.000 2.201 171 K HA 0.356 nan 4.320 nan 0.000 0.278 171 K C -0.883 175.647 176.600 -0.116 0.000 1.027 171 K CA -0.495 55.742 56.287 -0.083 0.000 0.909 171 K CB 0.574 33.026 32.500 -0.081 0.000 1.062 171 K HN 0.166 8.383 8.250 -0.055 0.000 0.465 172 Q N 5.837 125.550 119.800 -0.144 0.000 2.340 172 Q HA 0.337 nan 4.340 nan 0.000 0.268 172 Q C -1.932 173.833 176.000 -0.392 0.000 1.031 172 Q CA -0.776 54.871 55.803 -0.260 0.000 0.804 172 Q CB 4.075 32.718 28.738 -0.159 0.000 1.286 172 Q HN 0.595 8.795 8.270 -0.116 0.000 0.448 173 Q N 1.107 120.553 119.800 -0.590 0.000 2.413 173 Q HA 0.846 nan 4.340 nan 0.000 0.276 173 Q C -0.914 174.684 176.000 -0.669 0.000 1.099 173 Q CA -1.518 54.018 55.803 -0.445 0.000 0.814 173 Q CB 3.343 31.938 28.738 -0.239 0.000 1.379 173 Q HN 0.369 8.275 8.270 -0.607 0.000 0.436 174 F N 0.247 120.212 119.950 0.025 0.000 2.578 174 F HA 0.180 nan 4.527 nan 0.000 0.311 174 F C -1.499 174.344 175.800 0.072 0.000 1.094 174 F CA -0.900 57.147 58.000 0.078 0.000 0.923 174 F CB 3.386 42.493 39.000 0.178 0.000 1.230 174 F HN 0.896 9.316 8.300 0.199 0.000 0.450 175 D N 3.069 123.577 120.400 0.180 0.000 2.317 175 D HA 0.260 nan 4.640 nan 0.000 0.234 175 D C -1.122 175.247 176.300 0.115 0.000 1.112 175 D CA -0.237 53.823 54.000 0.100 0.000 0.840 175 D CB 1.084 41.900 40.800 0.027 0.000 1.078 175 D HN 0.100 8.567 8.370 0.161 0.000 0.486 176 L N 1.667 122.951 121.223 0.101 0.000 2.276 176 L HA 0.193 nan 4.340 nan 0.000 0.286 176 L C -0.357 176.537 176.870 0.040 0.000 1.061 176 L CA -1.396 53.481 54.840 0.062 0.000 0.807 176 L CB 0.766 42.848 42.059 0.039 0.000 1.177 176 L HN 0.213 8.503 8.230 0.100 0.000 0.429 177 E N 5.534 125.751 120.200 0.029 0.000 2.708 177 E HA -0.478 nan 4.350 nan 0.000 0.260 177 E C -0.644 175.974 176.600 0.029 0.000 0.937 177 E CA 1.005 57.420 56.400 0.025 0.000 0.953 177 E CB -0.033 29.676 29.700 0.015 0.000 0.915 177 E HN 0.436 8.810 8.360 0.024 0.000 0.487 178 N N 1.256 119.980 118.700 0.040 0.000 2.698 178 N HA -0.353 nan 4.740 nan 0.000 0.258 178 N C -1.043 174.507 175.510 0.067 0.000 0.978 178 N CA 1.323 54.405 53.050 0.055 0.000 0.777 178 N CB -0.548 37.964 38.487 0.041 0.000 0.907 178 N HN 0.351 8.754 8.380 0.038 0.000 0.543 179 K N -1.827 118.620 120.400 0.077 0.000 2.601 179 K HA 0.190 nan 4.320 nan 0.000 0.249 179 K C -0.693 175.973 176.600 0.111 0.000 0.966 179 K CA -1.033 55.310 56.287 0.094 0.000 0.827 179 K CB 1.507 34.045 32.500 0.063 0.000 1.178 179 K HN -0.568 7.688 8.250 0.063 0.031 0.437 180 F N 3.658 123.627 119.950 0.032 0.000 2.206 180 F HA -0.144 nan 4.527 nan 0.000 0.298 180 F C 0.024 175.848 175.800 0.040 0.000 1.090 180 F CA 1.974 59.993 58.000 0.032 0.000 1.323 180 F CB 0.553 39.568 39.000 0.024 0.000 1.028 180 F HN 0.168 8.639 8.300 0.286 0.000 0.492 181 K N 0.387 120.835 120.400 0.080 0.000 2.201 181 K HA 0.255 nan 4.320 nan 0.000 0.278 181 K C -2.505 174.109 176.600 0.024 0.000 1.027 181 K CA -2.892 53.411 56.287 0.026 0.000 0.909 181 K CB 0.267 32.844 32.500 0.128 0.000 1.062 181 K HN -0.357 8.000 8.250 0.178 0.000 0.465 182 P HA 0.102 nan 4.420 nan 0.000 0.277 182 P C -1.655 175.750 177.300 0.176 0.000 1.240 182 P CA -0.682 62.462 63.100 0.073 0.000 0.798 182 P CB 0.933 32.637 31.700 0.005 0.000 0.979 183 F N 2.437 122.443 119.950 0.095 0.000 2.412 183 F HA 0.093 nan 4.527 nan 0.000 0.348 183 F C -1.369 174.537 175.800 0.177 0.000 1.102 183 F CA -1.330 56.746 58.000 0.127 0.000 1.196 183 F CB 1.464 40.547 39.000 0.139 0.000 1.144 183 F HN 0.031 8.557 8.300 0.377 0.000 0.541 184 T N 8.944 123.252 114.554 -0.409 0.000 2.797 184 T HA 0.505 nan 4.350 nan 0.000 0.279 184 T C -1.762 172.536 174.700 -0.669 0.000 0.991 184 T CA -0.497 61.349 62.100 -0.422 0.000 0.979 184 T CB 1.633 70.388 68.868 -0.189 0.000 0.943 184 T HN 0.697 8.808 8.240 -0.216 0.000 0.444 185 V N 6.151 125.824 119.914 -0.401 0.000 2.409 185 V HA 0.520 nan 4.120 nan 0.000 0.291 185 V C -1.953 174.071 176.094 -0.116 0.000 1.020 185 V CA -1.083 61.062 62.300 -0.257 0.000 0.848 185 V CB 1.781 33.562 31.823 -0.070 0.000 0.990 185 V HN 1.050 9.093 8.190 -0.245 0.000 0.430 186 E N 7.863 128.013 120.200 -0.083 0.000 2.073 186 E HA 0.573 nan 4.350 nan 0.000 0.269 186 E C -1.153 175.432 176.600 -0.026 0.000 0.917 186 E CA -2.058 54.312 56.400 -0.051 0.000 0.757 186 E CB 2.096 31.768 29.700 -0.046 0.000 1.111 186 E HN 0.818 9.127 8.360 -0.086 0.000 0.410 187 I N 7.170 127.729 120.570 -0.018 0.000 2.352 187 I HA 0.344 nan 4.170 nan 0.000 0.290 187 I C -1.078 175.034 176.117 -0.009 0.000 1.036 187 I CA -1.024 60.270 61.300 -0.009 0.000 1.336 187 I CB -0.734 37.262 38.000 -0.006 0.000 1.407 187 I HN 0.489 8.686 8.210 -0.023 0.000 0.497 188 V N 8.877 128.788 119.914 -0.004 0.000 2.667 188 V HA 0.196 nan 4.120 nan 0.000 0.308 188 V C -1.436 174.656 176.094 -0.004 0.000 1.048 188 V CA -1.690 60.610 62.300 -0.000 0.000 0.928 188 V CB 3.608 35.436 31.823 0.009 0.000 1.004 188 V HN 0.477 8.666 8.190 -0.001 0.000 0.444 189 D N 3.473 123.869 120.400 -0.007 0.000 2.472 189 D HA -0.131 nan 4.640 nan 0.000 0.237 189 D C 0.832 177.115 176.300 -0.029 0.000 1.141 189 D CA 1.290 55.276 54.000 -0.023 0.000 0.875 189 D CB 0.909 41.698 40.800 -0.019 0.000 1.192 189 D HN 0.321 8.690 8.370 -0.003 0.000 0.450 190 S N 4.631 120.286 115.700 -0.075 0.000 2.402 190 S HA -0.179 nan 4.470 nan 0.000 0.229 190 S C 1.489 176.000 174.600 -0.148 0.000 1.021 190 S CA 3.290 61.431 58.200 -0.099 0.000 0.974 190 S CB 0.278 63.367 63.200 -0.184 0.000 0.800 190 S HN 0.607 8.866 8.310 -0.086 0.000 0.484 191 V N 1.470 121.250 119.914 -0.222 0.000 3.125 191 V HA -0.021 nan 4.120 nan 0.000 0.249 191 V C 1.292 177.470 176.094 0.141 0.000 1.113 191 V CA 2.531 64.759 62.300 -0.120 0.000 1.106 191 V CB -0.426 31.251 31.823 -0.243 0.000 0.768 191 V HN -0.555 7.667 8.190 -0.199 -0.152 0.468 192 E N 1.120 121.362 120.200 0.071 0.000 2.048 192 E HA -0.488 nan 4.350 nan 0.000 0.202 192 E C 1.503 178.169 176.600 0.110 0.000 1.021 192 E CA 3.859 60.309 56.400 0.084 0.000 0.825 192 E CB -0.431 29.294 29.700 0.041 0.000 0.756 192 E HN -0.228 8.393 8.360 0.016 -0.252 0.454 193 A N -1.894 120.996 122.820 0.117 0.000 1.908 193 A HA -0.285 nan 4.320 nan 0.000 0.218 193 A C 1.797 179.466 177.584 0.142 0.000 1.181 193 A CA 3.223 55.323 52.037 0.106 0.000 0.627 193 A CB -1.194 17.866 19.000 0.101 0.000 0.818 193 A HN 0.417 8.634 8.150 0.112 0.000 0.445 194 Y N 0.272 120.641 120.300 0.114 0.000 2.089 194 Y HA -0.479 nan 4.550 nan 0.000 0.282 194 Y C 1.162 177.155 175.900 0.155 0.000 1.139 194 Y CA 2.757 60.946 58.100 0.149 0.000 1.123 194 Y CB -0.285 38.318 38.460 0.240 0.000 0.980 194 Y HN -0.494 7.997 8.280 0.363 0.007 0.493 195 A N -2.623 120.292 122.820 0.157 0.000 1.972 195 A HA -0.407 nan 4.320 nan 0.000 0.219 195 A C 2.117 179.684 177.584 -0.028 0.000 1.169 195 A CA 3.218 55.316 52.037 0.101 0.000 0.635 195 A CB -0.865 18.270 19.000 0.227 0.000 0.810 195 A HN 0.328 8.688 8.150 0.350 0.000 0.446 196 T N 1.814 116.354 114.554 -0.024 0.000 2.788 196 T HA -0.359 nan 4.350 nan 0.000 0.268 196 T C 1.764 176.375 174.700 -0.149 0.000 1.044 196 T CA 4.824 66.875 62.100 -0.082 0.000 1.139 196 T CB -0.534 68.313 68.868 -0.035 0.000 0.867 196 T HN 0.064 8.326 8.240 0.036 0.000 0.454 197 M N 2.139 121.658 119.600 -0.136 0.000 2.086 197 M HA -0.383 nan 4.480 nan 0.000 0.261 197 M C 1.490 177.647 176.300 -0.237 0.000 1.067 197 M CA 4.040 59.245 55.300 -0.159 0.000 1.116 197 M CB -0.013 32.514 32.600 -0.123 0.000 1.348 197 M HN -0.385 7.747 8.290 -0.100 0.098 0.407 198 L N -3.183 117.884 121.223 -0.261 0.000 2.201 198 L HA -0.382 nan 4.340 nan 0.000 0.212 198 L C 2.139 178.723 176.870 -0.477 0.000 1.105 198 L CA 2.168 56.900 54.840 -0.181 0.000 0.775 198 L CB -0.797 41.309 42.059 0.078 0.000 0.913 198 L HN -0.413 7.650 8.230 -0.279 0.000 0.440 199 R N -0.657 119.364 120.500 -0.798 0.000 2.120 199 R HA -0.382 nan 4.340 nan 0.000 0.234 199 R C 1.674 177.615 176.300 -0.599 0.000 1.123 199 R CA 3.673 59.062 56.100 -1.184 0.000 0.975 199 R CB -0.278 29.636 30.300 -0.644 0.000 0.866 199 R HN 0.083 7.926 8.270 -0.518 0.116 0.446 200 N N -2.890 115.582 118.700 -0.380 0.000 2.422 200 N HA -0.100 nan 4.740 nan 0.000 0.181 200 N C 0.408 175.777 175.510 -0.235 0.000 1.080 200 N CA 2.236 55.144 53.050 -0.236 0.000 0.893 200 N CB 0.042 38.432 38.487 -0.162 0.000 0.973 200 N HN -0.527 7.537 8.380 -0.363 0.098 0.456 201 I N -1.692 118.660 120.570 -0.363 0.000 3.039 201 I HA -0.110 nan 4.170 nan 0.000 0.270 201 I C -0.803 174.937 176.117 -0.628 0.000 1.150 201 I CA 2.124 63.087 61.300 -0.562 0.000 1.448 201 I CB 1.347 38.812 38.000 -0.891 0.000 1.197 201 I HN -0.610 7.222 8.210 -0.382 0.148 0.450 202 F N -2.026 117.874 119.950 -0.083 0.000 2.450 202 F HA 0.106 nan 4.527 nan 0.000 0.328 202 F C -0.757 175.095 175.800 0.087 0.000 1.068 202 F CA -1.243 56.774 58.000 0.029 0.000 1.007 202 F CB 1.363 40.459 39.000 0.160 0.000 1.251 202 F HN -0.394 7.756 8.300 -0.250 0.000 0.492 203 D N 1.984 122.591 120.400 0.345 0.000 2.468 203 D HA 0.060 nan 4.640 nan 0.000 0.218 203 D C 0.722 177.231 176.300 0.348 0.000 1.155 203 D CA -1.817 52.325 54.000 0.237 0.000 0.924 203 D CB -0.659 40.228 40.800 0.145 0.000 1.029 203 D HN 0.369 8.958 8.370 0.366 0.000 0.515 204 F N 4.289 124.269 119.950 0.049 0.000 2.269 204 F HA -0.375 nan 4.527 nan 0.000 0.301 204 F C 1.418 177.222 175.800 0.008 0.000 1.082 204 F CA 1.709 59.723 58.000 0.023 0.000 1.360 204 F CB -0.323 38.691 39.000 0.024 0.000 1.041 204 F HN -0.368 8.198 8.300 0.444 0.000 0.512 205 N N -0.614 118.191 118.700 0.174 0.000 2.106 205 N HA -0.349 nan 4.740 nan 0.000 0.188 205 N C 1.358 176.896 175.510 0.047 0.000 1.029 205 N CA 3.171 56.272 53.050 0.086 0.000 0.848 205 N CB -0.333 38.194 38.487 0.067 0.000 1.007 205 N HN -0.323 8.249 8.380 0.189 -0.078 0.423 206 A N 0.662 123.514 122.820 0.052 0.000 1.908 206 A HA -0.273 nan 4.320 nan 0.000 0.218 206 A C 1.918 179.493 177.584 -0.014 0.000 1.181 206 A CA 2.858 54.908 52.037 0.022 0.000 0.627 206 A CB -0.546 18.475 19.000 0.036 0.000 0.818 206 A HN -0.656 7.777 8.150 0.078 -0.236 0.445 207 L N -3.208 117.997 121.223 -0.030 0.000 2.201 207 L HA -0.366 nan 4.340 nan 0.000 0.212 207 L C 2.315 179.115 176.870 -0.118 0.000 1.105 207 L CA 2.596 57.368 54.840 -0.113 0.000 0.775 207 L CB -0.712 41.220 42.059 -0.212 0.000 0.913 207 L HN -0.241 7.999 8.230 0.017 0.000 0.440 208 K N -0.071 120.282 120.400 -0.079 0.000 2.155 208 K HA -0.279 nan 4.320 nan 0.000 0.203 208 K C 2.515 179.088 176.600 -0.044 0.000 1.052 208 K CA 2.764 59.012 56.287 -0.064 0.000 0.948 208 K CB -0.472 32.013 32.500 -0.025 0.000 0.728 208 K HN 0.096 8.224 8.250 -0.044 0.096 0.448 209 E N 0.261 120.443 120.200 -0.030 0.000 2.072 209 E HA -0.269 nan 4.350 nan 0.000 0.190 209 E C 2.761 179.340 176.600 -0.036 0.000 0.982 209 E CA 2.813 59.198 56.400 -0.025 0.000 0.803 209 E CB -0.035 29.656 29.700 -0.014 0.000 0.755 209 E HN -0.241 8.030 8.360 -0.022 0.076 0.453 210 L N 0.140 121.333 121.223 -0.050 0.000 2.042 210 L HA -0.301 nan 4.340 nan 0.000 0.210 210 L C 1.105 177.936 176.870 -0.065 0.000 1.076 210 L CA 3.483 58.286 54.840 -0.062 0.000 0.749 210 L CB 0.156 42.160 42.059 -0.091 0.000 0.893 210 L HN 0.045 8.244 8.230 -0.052 0.000 0.432 211 L N -6.918 114.260 121.223 -0.074 0.000 2.567 211 L HA -0.109 nan 4.340 nan 0.000 0.225 211 L C 0.859 177.703 176.870 -0.044 0.000 1.119 211 L CA 1.467 56.267 54.840 -0.066 0.000 0.871 211 L CB -0.056 41.950 42.059 -0.089 0.000 1.036 211 L HN -0.010 8.170 8.230 -0.084 0.000 0.459 212 S N -3.378 112.299 115.700 -0.038 0.000 2.931 212 S HA 0.169 nan 4.470 nan 0.000 0.251 212 S C 0.706 175.294 174.600 -0.020 0.000 1.078 212 S CA 0.460 58.645 58.200 -0.026 0.000 0.835 212 S CB 1.896 65.082 63.200 -0.023 0.000 0.798 212 S HN -0.644 7.593 8.310 -0.043 0.047 0.495 213 G N 2.586 111.374 108.800 -0.020 0.000 2.846 213 G HA2 0.002 nan 3.960 nan 0.000 0.257 213 G HA3 0.002 nan 3.960 nan 0.000 0.257 213 G C -0.963 173.928 174.900 -0.014 0.000 1.253 213 G CA -0.704 44.387 45.100 -0.015 0.000 0.918 213 G HN -0.756 7.521 8.290 -0.023 0.000 0.597 214 P HA -0.192 nan 4.420 nan 0.000 0.224 214 P C -0.445 176.847 177.300 -0.013 0.000 1.142 214 P CA 2.303 65.397 63.100 -0.011 0.000 0.778 214 P CB -0.016 31.679 31.700 -0.009 0.000 0.764 215 N N -3.625 115.066 118.700 -0.015 0.000 2.348 215 N HA -0.113 nan 4.740 nan 0.000 0.183 215 N C -0.151 175.347 175.510 -0.020 0.000 1.094 215 N CA -0.610 52.430 53.050 -0.017 0.000 0.885 215 N CB 0.936 39.413 38.487 -0.017 0.000 1.065 215 N HN -0.244 8.060 8.380 -0.016 0.067 0.472 216 R N 1.118 121.605 120.500 -0.022 0.000 3.036 216 R HA -0.483 nan 4.340 nan 0.000 0.186 216 R C -0.531 175.755 176.300 -0.024 0.000 0.923 216 R CA 0.574 56.660 56.100 -0.024 0.000 0.922 216 R CB -0.450 29.838 30.300 -0.020 0.000 2.283 216 R HN -0.380 7.762 8.270 -0.021 0.115 0.400 217 L N 5.964 127.168 121.223 -0.031 0.000 2.584 217 L HA -0.132 nan 4.340 nan 0.000 0.272 217 L C -1.279 175.591 176.870 -0.001 0.000 1.195 217 L CA 1.182 56.008 54.840 -0.025 0.000 0.920 217 L CB 0.553 42.579 42.059 -0.054 0.000 1.173 217 L HN 0.473 8.678 8.230 -0.040 0.000 0.489 218 K N 7.130 127.543 120.400 0.022 0.000 2.258 218 K HA 0.216 nan 4.320 nan 0.000 0.284 218 K C -1.313 175.381 176.600 0.157 0.000 1.051 218 K CA -0.518 55.808 56.287 0.064 0.000 0.923 218 K CB 0.486 32.993 32.500 0.011 0.000 1.046 218 K HN 0.068 8.567 8.250 0.006 -0.246 0.474 219 I N -1.000 119.674 120.570 0.174 0.000 2.957 219 I HA 0.813 nan 4.170 nan 0.000 0.310 219 I C -1.556 174.616 176.117 0.092 0.000 1.063 219 I CA -3.117 58.293 61.300 0.183 0.000 1.033 219 I CB 3.625 41.728 38.000 0.170 0.000 1.230 219 I HN 0.199 8.489 8.210 0.133 0.000 0.447 220 R N 2.397 122.856 120.500 -0.068 0.000 2.502 220 R HA 0.511 nan 4.340 nan 0.000 0.298 220 R C -2.039 174.191 176.300 -0.117 0.000 1.018 220 R CA -0.681 55.296 56.100 -0.205 0.000 0.899 220 R CB 2.733 32.718 30.300 -0.525 0.000 1.181 220 R HN 0.024 8.277 8.270 -0.028 0.000 0.444 221 I N 6.719 127.262 120.570 -0.045 0.000 2.410 221 I HA 0.465 nan 4.170 nan 0.000 0.286 221 I C -2.357 173.744 176.117 -0.027 0.000 1.009 221 I CA -1.747 59.538 61.300 -0.024 0.000 1.111 221 I CB 2.165 40.233 38.000 0.114 0.000 1.262 221 I HN 0.959 9.156 8.210 -0.023 0.000 0.443 222 D N 8.578 128.919 120.400 -0.099 0.000 2.274 222 D HA 0.352 nan 4.640 nan 0.000 0.239 222 D C -1.107 175.198 176.300 0.008 0.000 1.104 222 D CA -1.379 52.577 54.000 -0.073 0.000 0.840 222 D CB 2.663 43.389 40.800 -0.123 0.000 1.100 222 D HN 0.597 8.856 8.370 -0.186 0.000 0.477 223 A N 4.281 127.150 122.820 0.082 0.000 2.308 223 A HA 0.299 nan 4.320 nan 0.000 0.217 223 A C 0.040 177.699 177.584 0.126 0.000 1.216 223 A CA -0.674 51.502 52.037 0.231 0.000 0.864 223 A CB 0.728 19.858 19.000 0.216 0.000 0.902 223 A HN 0.451 8.620 8.150 0.031 0.000 0.499 224 M N -4.096 115.477 119.600 -0.043 0.000 2.253 224 M HA -0.553 nan 4.480 nan 0.000 0.199 224 M C -1.077 175.258 176.300 0.059 0.000 0.342 224 M CA 1.300 56.553 55.300 -0.078 0.000 0.417 224 M CB -3.155 29.514 32.600 0.115 0.000 1.338 224 M HN -0.070 8.347 8.290 -0.094 -0.184 0.920 225 H N -8.507 110.690 119.070 0.213 0.000 2.958 225 H HA -0.402 nan 4.556 nan 0.000 0.274 225 H C -0.418 175.062 175.328 0.252 0.000 1.184 225 H CA 1.321 57.488 56.048 0.197 0.000 1.143 225 H CB -2.483 27.394 29.762 0.193 0.000 1.297 225 H HN 0.293 8.337 8.280 -0.331 0.038 0.356 226 G N -3.028 105.985 108.800 0.355 0.000 2.671 226 G HA2 0.377 nan 3.960 nan 0.000 0.275 226 G HA3 0.377 nan 3.960 nan 0.000 0.275 226 G C -0.960 174.078 174.900 0.230 0.000 1.368 226 G CA -1.350 44.006 45.100 0.427 0.000 1.044 226 G HN -0.463 7.942 8.290 0.257 0.039 0.543 227 V N 0.894 120.934 119.914 0.210 0.000 2.720 227 V HA -0.146 nan 4.120 nan 0.000 0.256 227 V C 1.208 177.390 176.094 0.146 0.000 1.082 227 V CA 3.008 65.390 62.300 0.137 0.000 1.101 227 V CB -0.041 31.833 31.823 0.085 0.000 0.693 227 V HN 0.154 8.513 8.190 0.281 0.000 0.479 228 V N -1.330 118.618 119.914 0.056 0.000 3.573 228 V HA 0.026 nan 4.120 nan 0.000 0.270 228 V C 1.052 177.229 176.094 0.139 0.000 1.221 228 V CA 0.661 62.954 62.300 -0.012 0.000 1.163 228 V CB -0.866 30.730 31.823 -0.379 0.000 0.847 228 V HN -0.063 8.129 8.190 0.068 0.039 0.468 229 G N 0.534 109.425 108.800 0.152 0.000 2.459 229 G HA2 -0.222 nan 3.960 nan 0.000 0.217 229 G HA3 -0.222 nan 3.960 nan 0.000 0.217 229 G C -1.795 173.167 174.900 0.103 0.000 1.183 229 G CA 3.364 48.539 45.100 0.125 0.000 0.776 229 G HN -0.199 8.120 8.290 0.148 0.059 0.552 230 P HA -0.219 nan 4.420 nan 0.000 0.215 230 P C 1.402 178.656 177.300 -0.076 0.000 1.157 230 P CA 2.854 65.917 63.100 -0.060 0.000 0.874 230 P CB -0.167 31.415 31.700 -0.198 0.000 0.790 231 Y N -4.283 116.015 120.300 -0.003 0.000 2.242 231 Y HA -0.293 nan 4.550 nan 0.000 0.291 231 Y C 2.629 178.554 175.900 0.042 0.000 1.137 231 Y CA 3.846 61.961 58.100 0.025 0.000 1.181 231 Y CB -0.790 37.642 38.460 -0.046 0.000 0.989 231 Y HN -0.786 7.661 8.280 0.279 0.000 0.527 232 V N 0.121 120.141 119.914 0.176 0.000 2.270 232 V HA -0.542 nan 4.120 nan 0.000 0.245 232 V C 1.738 177.887 176.094 0.092 0.000 1.043 232 V CA 4.626 67.009 62.300 0.138 0.000 1.014 232 V CB -0.962 30.959 31.823 0.163 0.000 0.645 232 V HN -0.050 8.249 8.190 0.182 0.000 0.447 233 K N -0.855 119.588 120.400 0.073 0.000 2.001 233 K HA -0.458 nan 4.320 nan 0.000 0.214 233 K C 2.075 178.693 176.600 0.030 0.000 1.050 233 K CA 3.835 60.147 56.287 0.042 0.000 0.934 233 K CB -0.328 32.188 32.500 0.027 0.000 0.718 233 K HN -0.503 7.795 8.250 0.081 0.000 0.443 234 K N -1.630 118.786 120.400 0.026 0.000 2.057 234 K HA -0.236 nan 4.320 nan 0.000 0.207 234 K C 2.855 179.486 176.600 0.053 0.000 1.049 234 K CA 2.869 59.171 56.287 0.024 0.000 0.931 234 K CB -0.112 32.382 32.500 -0.010 0.000 0.714 234 K HN -0.243 8.018 8.250 0.018 0.000 0.440 235 I N -1.862 118.757 120.570 0.080 0.000 2.512 235 I HA -0.258 nan 4.170 nan 0.000 0.247 235 I C 1.446 177.540 176.117 -0.038 0.000 1.094 235 I CA 3.654 64.993 61.300 0.066 0.000 1.427 235 I CB 0.564 38.646 38.000 0.137 0.000 1.149 235 I HN -0.206 8.065 8.210 0.102 0.000 0.438 236 L N -0.812 120.400 121.223 -0.018 0.000 2.179 236 L HA -0.305 nan 4.340 nan 0.000 0.208 236 L C 1.814 178.659 176.870 -0.041 0.000 1.096 236 L CA 3.308 58.112 54.840 -0.059 0.000 0.779 236 L CB -0.173 41.880 42.059 -0.010 0.000 0.922 236 L HN -0.151 8.005 8.230 0.036 0.095 0.443 237 C N -1.134 118.161 119.300 -0.007 0.000 2.587 237 C HA -0.144 nan 4.460 nan 0.000 0.287 237 C C 2.477 177.463 174.990 -0.007 0.000 1.374 237 C CA 3.120 62.135 59.018 -0.004 0.000 1.770 237 C CB -0.720 27.027 27.740 0.012 0.000 2.137 237 C HN -0.136 8.101 8.230 0.012 0.000 0.550 238 E N 0.159 120.360 120.200 0.003 0.000 2.031 238 E HA -0.391 nan 4.350 nan 0.000 0.193 238 E C 1.067 177.670 176.600 0.005 0.000 0.994 238 E CA 2.899 59.303 56.400 0.006 0.000 0.800 238 E CB 0.002 29.710 29.700 0.013 0.000 0.752 238 E HN 0.248 8.507 8.360 0.009 0.107 0.447 239 E N -2.585 117.619 120.200 0.007 0.000 2.086 239 E HA -0.134 nan 4.350 nan 0.000 0.190 239 E C 2.281 178.858 176.600 -0.038 0.000 0.975 239 E CA 1.846 58.255 56.400 0.014 0.000 0.813 239 E CB 0.914 30.654 29.700 0.066 0.000 0.768 239 E HN -0.719 7.648 8.360 0.011 0.000 0.457 240 L N -4.586 116.572 121.223 -0.109 0.000 2.558 240 L HA -0.087 nan 4.340 nan 0.000 0.225 240 L C 0.338 177.155 176.870 -0.089 0.000 1.128 240 L CA 0.533 55.282 54.840 -0.151 0.000 0.868 240 L CB 0.497 42.393 42.059 -0.273 0.000 1.006 240 L HN 0.053 8.216 8.230 -0.112 0.000 0.454 241 G N -3.922 104.845 108.800 -0.054 0.000 2.157 241 G HA2 -0.404 nan 3.960 nan 0.000 0.248 241 G HA3 -0.404 nan 3.960 nan 0.000 0.248 241 G C -0.324 174.558 174.900 -0.030 0.000 0.979 241 G CA -0.142 44.938 45.100 -0.034 0.000 0.650 241 G HN -0.649 7.572 8.290 -0.047 0.041 0.529 242 A N 0.904 123.703 122.820 -0.035 0.000 2.488 242 A HA 0.096 nan 4.320 nan 0.000 0.249 242 A C -1.839 175.744 177.584 -0.002 0.000 1.083 242 A CA -1.564 50.462 52.037 -0.020 0.000 0.768 242 A CB -0.467 18.522 19.000 -0.018 0.000 1.017 242 A HN -0.346 7.736 8.150 -0.048 0.039 0.496 243 P HA -0.137 nan 4.420 nan 0.000 0.266 243 P C 0.065 177.376 177.300 0.018 0.000 1.180 243 P CA 0.174 63.281 63.100 0.012 0.000 0.765 243 P CB 0.733 32.443 31.700 0.016 0.000 0.806 244 A N 4.798 127.628 122.820 0.017 0.000 2.024 244 A HA -0.326 nan 4.320 nan 0.000 0.220 244 A C 2.363 179.963 177.584 0.027 0.000 1.164 244 A CA 2.924 54.973 52.037 0.020 0.000 0.643 244 A CB -0.558 18.452 19.000 0.018 0.000 0.806 244 A HN 0.586 8.744 8.150 0.013 0.000 0.451 245 N N -2.386 116.332 118.700 0.030 0.000 2.289 245 N HA -0.214 nan 4.740 nan 0.000 0.184 245 N C 1.803 177.340 175.510 0.044 0.000 1.016 245 N CA 2.165 55.238 53.050 0.038 0.000 0.872 245 N CB -0.818 37.696 38.487 0.045 0.000 0.973 245 N HN 0.142 8.497 8.380 0.027 0.041 0.433 246 S N -0.044 115.683 115.700 0.045 0.000 2.399 246 S HA -0.266 nan 4.470 nan 0.000 0.231 246 S C -0.801 173.819 174.600 0.033 0.000 1.022 246 S CA 2.430 60.657 58.200 0.045 0.000 0.983 246 S CB 0.356 63.583 63.200 0.045 0.000 0.803 246 S HN -0.245 7.943 8.310 0.040 0.146 0.480 247 A N 0.004 122.847 122.820 0.037 0.000 2.252 247 A HA 0.468 nan 4.320 nan 0.000 0.309 247 A C -0.723 176.878 177.584 0.028 0.000 1.285 247 A CA -0.702 51.362 52.037 0.045 0.000 0.900 247 A CB 0.769 19.803 19.000 0.055 0.000 1.157 247 A HN -0.791 7.351 8.150 0.036 0.029 0.536 248 V N 3.873 123.793 119.914 0.011 0.000 2.732 248 V HA 0.253 nan 4.120 nan 0.000 0.310 248 V C -0.296 175.776 176.094 -0.036 0.000 1.053 248 V CA -1.763 60.530 62.300 -0.012 0.000 0.957 248 V CB 2.340 34.139 31.823 -0.040 0.000 1.018 248 V HN 0.782 8.979 8.190 0.013 0.000 0.452 249 N N -0.561 118.099 118.700 -0.066 0.000 2.716 249 N HA -0.317 nan 4.740 nan 0.000 0.250 249 N C 0.094 175.546 175.510 -0.096 0.000 1.033 249 N CA 1.359 54.281 53.050 -0.213 0.000 0.727 249 N CB -1.596 36.566 38.487 -0.542 0.000 0.950 249 N HN 0.570 8.939 8.380 -0.018 0.000 0.541 250 C N -3.377 115.933 119.300 0.015 0.000 2.525 250 C HA 0.127 nan 4.460 nan 0.000 0.313 250 C C -0.748 174.283 174.990 0.069 0.000 1.311 250 C CA -0.235 58.817 59.018 0.057 0.000 1.725 250 C CB -0.752 27.026 27.740 0.062 0.000 1.926 250 C HN 0.161 8.381 8.230 0.023 0.023 0.595 251 V N 1.187 121.156 119.914 0.090 0.000 2.326 251 V HA 0.345 nan 4.120 nan 0.000 0.281 251 V C -2.028 174.126 176.094 0.099 0.000 1.015 251 V CA -2.857 59.493 62.300 0.084 0.000 0.823 251 V CB 1.301 33.172 31.823 0.081 0.000 1.009 251 V HN -0.299 7.886 8.190 0.111 0.072 0.436 252 P HA -0.047 nan 4.420 nan 0.000 0.257 252 P C -1.749 175.537 177.300 -0.024 0.000 1.189 252 P CA 0.401 63.516 63.100 0.026 0.000 0.780 252 P CB -0.158 31.544 31.700 0.003 0.000 0.772 253 L N 4.673 125.867 121.223 -0.049 0.000 2.325 253 L HA 0.209 nan 4.340 nan 0.000 0.279 253 L C 1.432 178.168 176.870 -0.223 0.000 1.054 253 L CA -1.083 53.705 54.840 -0.085 0.000 0.804 253 L CB 0.953 42.982 42.059 -0.050 0.000 1.200 253 L HN 0.121 8.340 8.230 -0.017 0.000 0.436 254 E N 2.305 122.429 120.200 -0.127 0.000 2.219 254 E HA -0.403 nan 4.350 nan 0.000 0.198 254 E C 0.201 176.730 176.600 -0.117 0.000 0.998 254 E CA 3.348 59.687 56.400 -0.101 0.000 0.818 254 E CB 0.041 29.784 29.700 0.073 0.000 0.741 254 E HN 0.727 9.050 8.360 -0.062 0.000 0.477 255 D N -5.182 115.170 120.400 -0.080 0.000 2.462 255 D HA 0.056 nan 4.640 nan 0.000 0.221 255 D C -0.482 175.939 176.300 0.201 0.000 1.173 255 D CA -1.686 52.352 54.000 0.062 0.000 0.831 255 D CB -1.726 39.102 40.800 0.047 0.000 1.001 255 D HN -0.106 8.173 8.370 -0.078 0.044 0.499 256 F N -1.224 118.789 119.950 0.105 0.000 3.097 256 F HA -0.533 nan 4.527 nan 0.000 0.278 256 F C 0.477 176.353 175.800 0.126 0.000 0.917 256 F CA 1.001 59.102 58.000 0.168 0.000 0.962 256 F CB -2.605 36.499 39.000 0.173 0.000 0.964 256 F HN 0.100 7.940 8.300 -0.507 0.157 0.668 257 G N -2.821 105.986 108.800 0.012 0.000 2.295 257 G HA2 -0.446 nan 3.960 nan 0.000 0.287 257 G HA3 -0.446 nan 3.960 nan 0.000 0.287 257 G C 0.661 175.552 174.900 -0.015 0.000 1.055 257 G CA 0.264 45.216 45.100 -0.246 0.000 0.922 257 G HN -0.240 8.174 8.290 -0.005 -0.127 0.503 258 G N -1.866 106.989 108.800 0.091 0.000 2.196 258 G HA2 -0.489 nan 3.960 nan 0.000 0.268 258 G HA3 -0.489 nan 3.960 nan 0.000 0.268 258 G C -1.171 173.871 174.900 0.237 0.000 0.975 258 G CA 0.215 45.394 45.100 0.132 0.000 0.648 258 G HN 0.141 8.527 8.290 0.094 -0.039 0.538 259 H N 1.045 120.231 119.070 0.194 0.000 2.834 259 H HA 0.275 nan 4.556 nan 0.000 0.369 259 H C -1.596 173.894 175.328 0.270 0.000 1.174 259 H CA -1.564 54.623 56.048 0.233 0.000 1.165 259 H CB 2.789 32.675 29.762 0.206 0.000 1.820 259 H HN -0.784 7.649 8.280 0.373 0.071 0.558 260 H N 0.521 119.196 119.070 -0.659 0.000 2.929 260 H HA 0.113 nan 4.556 nan 0.000 0.317 260 H C -0.738 174.370 175.328 -0.367 0.000 1.031 260 H CA -3.094 52.609 56.048 -0.574 0.000 1.466 260 H CB 0.188 29.444 29.762 -0.844 0.000 1.482 260 H HN 0.257 8.110 8.280 -0.712 0.000 0.561 261 P HA -0.047 nan 4.420 nan 0.000 0.238 261 P C -1.955 175.318 177.300 -0.044 0.000 1.794 261 P CA -0.401 62.691 63.100 -0.012 0.000 1.088 261 P CB -1.083 30.554 31.700 -0.106 0.000 1.923 262 D N 2.165 122.544 120.400 -0.034 0.000 2.481 262 D HA 0.250 nan 4.640 nan 0.000 0.246 262 D C -1.586 174.667 176.300 -0.078 0.000 1.109 262 D CA -3.420 50.522 54.000 -0.097 0.000 0.845 262 D CB 2.974 43.591 40.800 -0.305 0.000 1.160 262 D HN -0.374 7.994 8.370 0.052 0.033 0.534 263 P HA -0.119 nan 4.420 nan 0.000 0.238 263 P C -1.926 174.944 177.300 -0.717 0.000 1.679 263 P CA -0.062 62.856 63.100 -0.303 0.000 1.080 263 P CB -1.747 29.840 31.700 -0.189 0.000 1.961 264 N N -0.734 117.688 118.700 -0.462 0.000 2.591 264 N HA 0.007 nan 4.740 nan 0.000 0.263 264 N C 0.290 175.669 175.510 -0.219 0.000 1.308 264 N CA -0.912 51.829 53.050 -0.516 0.000 0.837 264 N CB 1.486 39.739 38.487 -0.390 0.000 1.548 264 N HN -0.544 7.670 8.380 -0.198 0.047 0.493 265 L N -1.922 119.171 121.223 -0.216 0.000 2.151 265 L HA -0.396 nan 4.340 nan 0.000 0.215 265 L C 0.831 177.591 176.870 -0.182 0.000 1.084 265 L CA 3.300 58.008 54.840 -0.220 0.000 0.764 265 L CB -1.031 40.834 42.059 -0.324 0.000 0.891 265 L HN 0.485 8.585 8.230 -0.216 0.000 0.435 266 T N -0.318 114.129 114.554 -0.178 0.000 2.623 266 T HA -0.184 nan 4.350 nan 0.000 0.254 266 T C 1.924 176.451 174.700 -0.288 0.000 1.075 266 T CA 3.264 65.213 62.100 -0.251 0.000 1.177 266 T CB -0.229 68.473 68.868 -0.278 0.000 0.869 266 T HN -0.760 7.427 8.240 -0.158 -0.042 0.403 267 Y N 1.242 121.503 120.300 -0.064 0.000 2.274 267 Y HA -0.324 nan 4.550 nan 0.000 0.290 267 Y C 1.020 176.960 175.900 0.067 0.000 1.145 267 Y CA 2.452 60.600 58.100 0.081 0.000 1.203 267 Y CB 0.159 38.638 38.460 0.032 0.000 0.984 267 Y HN -0.115 8.533 8.280 0.032 -0.350 0.533 268 A N -2.942 119.913 122.820 0.058 0.000 3.264 268 A HA 0.342 nan 4.320 nan 0.000 0.299 268 A C -0.693 176.833 177.584 -0.097 0.000 1.272 268 A CA -1.723 50.291 52.037 -0.037 0.000 1.030 268 A CB -1.895 17.066 19.000 -0.065 0.000 1.102 268 A HN 0.295 8.451 8.150 0.010 0.000 0.615 269 A N 0.384 123.137 122.820 -0.112 0.000 1.930 269 A HA -0.302 nan 4.320 nan 0.000 0.217 269 A C 0.835 178.358 177.584 -0.103 0.000 1.175 269 A CA 3.283 55.249 52.037 -0.117 0.000 0.627 269 A CB -0.421 18.502 19.000 -0.128 0.000 0.815 269 A HN -0.450 7.549 8.150 -0.109 0.086 0.443 270 D N -0.508 119.828 120.400 -0.106 0.000 2.104 270 D HA -0.348 nan 4.640 nan 0.000 0.194 270 D C 2.198 178.447 176.300 -0.087 0.000 0.994 270 D CA 3.446 57.394 54.000 -0.086 0.000 0.830 270 D CB -0.907 39.843 40.800 -0.083 0.000 0.959 270 D HN 0.111 8.406 8.370 -0.125 0.000 0.452 271 L N 0.011 121.171 121.223 -0.105 0.000 2.042 271 L HA -0.289 nan 4.340 nan 0.000 0.210 271 L C 1.633 178.436 176.870 -0.112 0.000 1.076 271 L CA 3.127 57.893 54.840 -0.124 0.000 0.749 271 L CB -0.200 41.770 42.059 -0.149 0.000 0.893 271 L HN -0.227 7.938 8.230 -0.109 0.000 0.432 272 V N -0.404 119.451 119.914 -0.098 0.000 2.287 272 V HA -0.527 nan 4.120 nan 0.000 0.248 272 V C 2.575 178.639 176.094 -0.051 0.000 1.053 272 V CA 4.448 66.702 62.300 -0.076 0.000 1.027 272 V CB -1.151 30.622 31.823 -0.084 0.000 0.646 272 V HN -0.651 7.476 8.190 -0.104 0.000 0.447 273 E N -2.110 118.059 120.200 -0.051 0.000 2.077 273 E HA -0.302 nan 4.350 nan 0.000 0.193 273 E C 2.657 179.249 176.600 -0.013 0.000 0.989 273 E CA 2.768 59.151 56.400 -0.029 0.000 0.800 273 E CB -0.611 29.068 29.700 -0.034 0.000 0.746 273 E HN 0.328 8.649 8.360 -0.065 0.000 0.452 274 T N 2.872 117.409 114.554 -0.028 0.000 2.720 274 T HA -0.283 nan 4.350 nan 0.000 0.268 274 T C 2.294 177.008 174.700 0.023 0.000 1.037 274 T CA 4.428 66.522 62.100 -0.009 0.000 1.144 274 T CB -0.403 68.428 68.868 -0.062 0.000 0.864 274 T HN 0.041 8.252 8.240 -0.048 0.000 0.444 275 M N 0.130 119.717 119.600 -0.023 0.000 2.213 275 M HA -0.297 nan 4.480 nan 0.000 0.263 275 M C 2.005 178.333 176.300 0.046 0.000 1.062 275 M CA 1.659 56.959 55.300 0.000 0.000 1.105 275 M CB -1.508 31.062 32.600 -0.050 0.000 1.385 275 M HN 0.105 8.360 8.290 -0.058 0.000 0.417 276 K N -1.263 119.171 120.400 0.055 0.000 2.074 276 K HA -0.325 nan 4.320 nan 0.000 0.209 276 K C 2.165 178.847 176.600 0.136 0.000 1.048 276 K CA 2.861 59.206 56.287 0.096 0.000 0.926 276 K CB -0.809 31.725 32.500 0.057 0.000 0.713 276 K HN -0.334 7.908 8.250 0.028 0.025 0.444 277 S N -3.125 112.630 115.700 0.091 0.000 2.493 277 S HA -0.208 nan 4.470 nan 0.000 0.243 277 S C 1.382 176.023 174.600 0.069 0.000 0.991 277 S CA 1.865 60.114 58.200 0.082 0.000 0.957 277 S CB -0.058 63.173 63.200 0.053 0.000 0.756 277 S HN -0.624 7.731 8.310 0.074 0.000 0.521 278 G N 1.423 110.210 108.800 -0.023 0.000 2.199 278 G HA2 -0.431 nan 3.960 nan 0.000 0.254 278 G HA3 -0.431 nan 3.960 nan 0.000 0.254 278 G C -0.041 174.749 174.900 -0.185 0.000 0.982 278 G CA 0.685 45.647 45.100 -0.231 0.000 0.632 278 G HN -0.273 7.956 8.290 -0.023 0.047 0.529 279 E N 0.051 120.158 120.200 -0.154 0.000 2.107 279 E HA -0.266 nan 4.350 nan 0.000 0.191 279 E C 0.096 176.464 176.600 -0.387 0.000 0.982 279 E CA 2.337 58.571 56.400 -0.278 0.000 0.809 279 E CB 0.319 29.799 29.700 -0.367 0.000 0.756 279 E HN -0.307 7.916 8.360 -0.090 0.083 0.459 280 H N -3.939 115.079 119.070 -0.087 0.000 2.472 280 H HA 0.217 nan 4.556 nan 0.000 0.335 280 H C 0.779 176.056 175.328 -0.084 0.000 1.136 280 H CA -0.424 55.584 56.048 -0.066 0.000 1.264 280 H CB 1.537 31.270 29.762 -0.049 0.000 1.486 280 H HN -0.539 7.707 8.280 -0.057 0.000 0.517 281 D N 0.842 121.297 120.400 0.091 0.000 2.305 281 D HA 0.060 nan 4.640 nan 0.000 0.206 281 D C -1.101 175.265 176.300 0.109 0.000 0.974 281 D CA 2.338 56.367 54.000 0.049 0.000 0.871 281 D CB 1.395 42.220 40.800 0.043 0.000 0.947 281 D HN 0.418 8.759 8.370 0.117 0.098 0.516 282 F N -2.050 117.868 119.950 -0.054 0.000 2.665 282 F HA 0.206 nan 4.527 nan 0.000 0.308 282 F C -2.716 173.015 175.800 -0.115 0.000 1.112 282 F CA -0.215 57.720 58.000 -0.109 0.000 0.972 282 F CB 3.590 42.520 39.000 -0.116 0.000 1.295 282 F HN -0.690 7.738 8.300 0.213 0.000 0.440 283 G N 0.520 108.870 108.800 -0.751 0.000 2.690 283 G HA2 0.754 nan 3.960 nan 0.000 0.293 283 G HA3 0.754 nan 3.960 nan 0.000 0.293 283 G C -3.468 171.007 174.900 -0.708 0.000 1.399 283 G CA -1.023 43.766 45.100 -0.519 0.000 0.890 283 G HN 0.593 8.127 8.290 -1.260 0.000 0.485 284 A N -1.413 121.148 122.820 -0.431 0.000 2.594 284 A HA 0.880 nan 4.320 nan 0.000 0.296 284 A C -3.056 174.229 177.584 -0.499 0.000 1.061 284 A CA -0.216 51.550 52.037 -0.452 0.000 0.689 284 A CB 3.632 22.399 19.000 -0.389 0.000 1.280 284 A HN 0.120 8.081 8.150 -0.315 0.000 0.406 285 A N -0.088 122.405 122.820 -0.545 0.000 2.413 285 A HA 1.176 nan 4.320 nan 0.000 0.307 285 A C -2.398 174.837 177.584 -0.582 0.000 1.087 285 A CA -1.704 50.030 52.037 -0.505 0.000 0.750 285 A CB 2.937 21.788 19.000 -0.247 0.000 1.296 285 A HN 0.027 7.911 8.150 -0.443 0.000 0.423 286 F N -1.982 117.980 119.950 0.019 0.000 2.611 286 F HA 0.502 nan 4.527 nan 0.000 0.324 286 F C -0.972 174.843 175.800 0.024 0.000 1.061 286 F CA -1.399 56.623 58.000 0.037 0.000 0.954 286 F CB 3.748 42.778 39.000 0.050 0.000 1.301 286 F HN -0.311 7.973 8.300 -0.026 0.000 0.482 287 D N -0.256 120.287 120.400 0.239 0.000 2.433 287 D HA 0.060 nan 4.640 nan 0.000 0.255 287 D C 1.614 177.962 176.300 0.079 0.000 1.226 287 D CA -1.236 52.832 54.000 0.113 0.000 1.015 287 D CB 1.115 41.972 40.800 0.096 0.000 1.091 287 D HN -0.205 8.342 8.370 0.295 0.000 0.527 288 G N -2.669 106.109 108.800 -0.036 0.000 2.513 288 G HA2 -0.440 nan 3.960 nan 0.000 0.219 288 G HA3 -0.440 nan 3.960 nan 0.000 0.219 288 G C -0.000 174.961 174.900 0.102 0.000 1.160 288 G CA 2.711 47.793 45.100 -0.030 0.000 0.767 288 G HN 0.228 8.458 8.290 -0.101 0.000 0.571 289 D N -1.149 119.258 120.400 0.012 0.000 2.342 289 D HA 0.032 nan 4.640 nan 0.000 0.221 289 D C 1.119 177.361 176.300 -0.098 0.000 1.101 289 D CA -1.664 52.318 54.000 -0.031 0.000 0.837 289 D CB -0.618 40.147 40.800 -0.058 0.000 0.938 289 D HN -0.565 7.795 8.370 -0.017 0.000 0.508 290 G N -0.265 108.487 108.800 -0.078 0.000 2.220 290 G HA2 -0.511 nan 3.960 nan 0.000 0.269 290 G HA3 -0.511 nan 3.960 nan 0.000 0.269 290 G C -0.212 174.641 174.900 -0.078 0.000 0.977 290 G CA 1.728 46.732 45.100 -0.159 0.000 0.634 290 G HN 0.005 8.212 8.290 -0.010 0.078 0.539 291 D N -0.667 119.717 120.400 -0.027 0.000 2.336 291 D HA -0.097 nan 4.640 nan 0.000 0.229 291 D C -0.437 175.948 176.300 0.142 0.000 1.061 291 D CA 0.271 54.286 54.000 0.025 0.000 0.875 291 D CB -0.062 40.709 40.800 -0.049 0.000 0.904 291 D HN -0.371 7.882 8.370 -0.060 0.081 0.525 292 R N -3.227 117.396 120.500 0.206 0.000 2.795 292 R HA 0.396 nan 4.340 nan 0.000 0.275 292 R C -1.674 174.844 176.300 0.363 0.000 0.981 292 R CA -1.255 55.011 56.100 0.278 0.000 0.917 292 R CB 4.187 34.634 30.300 0.245 0.000 1.202 292 R HN -0.472 7.956 8.270 0.203 -0.036 0.469 293 N N -0.705 118.217 118.700 0.371 0.000 2.610 293 N HA 0.621 nan 4.740 nan 0.000 0.264 293 N C -2.005 173.678 175.510 0.287 0.000 1.348 293 N CA -0.493 52.731 53.050 0.290 0.000 0.819 293 N CB 3.723 42.425 38.487 0.357 0.000 1.521 293 N HN 0.329 8.946 8.380 0.395 0.000 0.497 294 M N 0.351 120.011 119.600 0.100 0.000 2.213 294 M HA 0.255 nan 4.480 nan 0.000 0.286 294 M C -2.088 174.194 176.300 -0.030 0.000 1.008 294 M CA -0.303 55.121 55.300 0.206 0.000 0.937 294 M CB 3.315 35.964 32.600 0.083 0.000 1.600 294 M HN -0.083 8.141 8.290 -0.110 0.000 0.450 295 I N 5.452 125.983 120.570 -0.065 0.000 2.359 295 I HA 0.676 nan 4.170 nan 0.000 0.294 295 I C -1.851 174.083 176.117 -0.305 0.000 0.987 295 I CA -1.640 59.446 61.300 -0.356 0.000 1.225 295 I CB 0.563 38.268 38.000 -0.492 0.000 1.366 295 I HN 0.728 8.966 8.210 0.047 0.000 0.466 296 L N 4.110 125.033 121.223 -0.500 0.000 2.408 296 L HA 0.704 nan 4.340 nan 0.000 0.268 296 L C -1.014 175.610 176.870 -0.410 0.000 0.986 296 L CA -1.427 53.232 54.840 -0.302 0.000 0.820 296 L CB 3.586 45.527 42.059 -0.197 0.000 1.303 296 L HN 0.493 8.246 8.230 -0.795 0.000 0.411 297 G N 0.088 108.815 108.800 -0.121 0.000 2.535 297 G HA2 0.488 nan 3.960 nan 0.000 0.303 297 G HA3 0.488 nan 3.960 nan 0.000 0.303 297 G C -1.939 172.932 174.900 -0.049 0.000 1.237 297 G CA -1.736 43.296 45.100 -0.112 0.000 0.986 297 G HN 0.723 9.053 8.290 0.066 0.000 0.494 298 K N 0.309 120.661 120.400 -0.079 0.000 2.451 298 K HA -0.209 nan 4.320 nan 0.000 0.280 298 K C 0.605 177.167 176.600 -0.064 0.000 1.020 298 K CA 1.568 57.773 56.287 -0.136 0.000 1.008 298 K CB 0.239 32.638 32.500 -0.167 0.000 0.917 298 K HN 0.244 8.421 8.250 -0.121 0.000 0.478 299 H N 2.111 121.217 119.070 0.060 0.000 3.636 299 H HA -0.286 nan 4.556 nan 0.000 0.179 299 H C -0.113 175.261 175.328 0.077 0.000 0.968 299 H CA 1.360 57.449 56.048 0.069 0.000 1.220 299 H CB -1.430 28.380 29.762 0.080 0.000 1.023 299 H HN 0.545 8.650 8.280 -0.292 0.000 0.366 300 G N -3.507 105.387 108.800 0.157 0.000 2.184 300 G HA2 -0.349 nan 3.960 nan 0.000 0.206 300 G HA3 -0.349 nan 3.960 nan 0.000 0.206 300 G C -0.385 174.632 174.900 0.195 0.000 0.995 300 G CA -0.348 44.825 45.100 0.122 0.000 0.651 300 G HN -0.302 7.974 8.290 0.100 0.074 0.511 301 F N 3.132 123.130 119.950 0.080 0.000 2.473 301 F HA -0.286 nan 4.527 nan 0.000 0.405 301 F C -1.110 174.763 175.800 0.122 0.000 0.988 301 F CA -0.233 57.830 58.000 0.104 0.000 1.096 301 F CB 0.105 39.147 39.000 0.071 0.000 0.944 301 F HN -0.697 7.772 8.300 0.371 0.053 0.530 302 F N 9.148 129.007 119.950 -0.151 0.000 2.456 302 F HA 0.258 nan 4.527 nan 0.000 0.358 302 F C -1.272 174.465 175.800 -0.105 0.000 1.095 302 F CA -0.660 57.287 58.000 -0.089 0.000 1.216 302 F CB 0.511 39.477 39.000 -0.057 0.000 1.125 302 F HN -0.185 8.149 8.300 0.057 0.000 0.549 303 V N 9.634 129.304 119.914 -0.406 0.000 2.347 303 V HA 0.079 nan 4.120 nan 0.000 0.280 303 V C -1.296 174.271 176.094 -0.878 0.000 1.021 303 V CA -1.425 60.637 62.300 -0.396 0.000 0.847 303 V CB 0.627 32.322 31.823 -0.214 0.000 0.990 303 V HN 0.160 8.191 8.190 -0.266 0.000 0.444 304 N N 7.653 125.900 118.700 -0.754 0.000 2.492 304 N HA 0.091 nan 4.740 nan 0.000 0.262 304 N C -0.411 174.851 175.510 -0.414 0.000 1.202 304 N CA -1.882 50.734 53.050 -0.722 0.000 0.926 304 N CB 1.654 39.990 38.487 -0.251 0.000 1.078 304 N HN 0.193 8.329 8.380 -0.407 0.000 0.454 305 P HA -0.251 nan 4.420 nan 0.000 0.217 305 P C 1.205 178.371 177.300 -0.224 0.000 1.148 305 P CA 2.711 65.637 63.100 -0.291 0.000 0.834 305 P CB 0.301 31.739 31.700 -0.437 0.000 0.783 306 S N -2.544 112.976 115.700 -0.301 0.000 2.406 306 S HA -0.217 nan 4.470 nan 0.000 0.228 306 S C 2.111 176.597 174.600 -0.191 0.000 1.020 306 S CA 3.965 61.979 58.200 -0.311 0.000 0.965 306 S CB -0.384 62.474 63.200 -0.570 0.000 0.798 306 S HN 0.170 8.541 8.310 -0.352 -0.272 0.488 307 D N 1.610 121.931 120.400 -0.131 0.000 2.149 307 D HA -0.075 nan 4.640 nan 0.000 0.201 307 D C 2.031 178.264 176.300 -0.111 0.000 0.972 307 D CA 2.928 56.888 54.000 -0.067 0.000 0.835 307 D CB -0.088 40.741 40.800 0.048 0.000 0.966 307 D HN -0.270 8.032 8.370 -0.158 -0.027 0.476 308 S N 0.515 116.203 115.700 -0.019 0.000 2.359 308 S HA -0.241 nan 4.470 nan 0.000 0.224 308 S C 2.203 176.804 174.600 0.002 0.000 1.035 308 S CA 3.572 61.860 58.200 0.148 0.000 1.018 308 S CB -0.063 63.285 63.200 0.245 0.000 0.876 308 S HN -0.010 8.265 8.310 -0.059 0.000 0.448 309 V N -0.555 119.326 119.914 -0.056 0.000 2.343 309 V HA -0.361 nan 4.120 nan 0.000 0.247 309 V C 1.861 177.822 176.094 -0.222 0.000 1.051 309 V CA 3.308 65.547 62.300 -0.103 0.000 1.036 309 V CB -1.478 30.265 31.823 -0.135 0.000 0.654 309 V HN -0.521 7.635 8.190 -0.056 0.000 0.451 310 A N -0.991 121.673 122.820 -0.260 0.000 1.898 310 A HA -0.281 nan 4.320 nan 0.000 0.216 310 A C 1.877 179.201 177.584 -0.433 0.000 1.181 310 A CA 3.308 55.137 52.037 -0.348 0.000 0.620 310 A CB -0.734 18.101 19.000 -0.276 0.000 0.819 310 A HN -0.573 7.378 8.150 -0.212 0.071 0.442 311 V N 0.190 119.785 119.914 -0.532 0.000 2.295 311 V HA -0.473 nan 4.120 nan 0.000 0.246 311 V C 1.963 177.784 176.094 -0.455 0.000 1.049 311 V CA 4.755 66.728 62.300 -0.546 0.000 1.024 311 V CB -0.619 30.894 31.823 -0.517 0.000 0.648 311 V HN 0.086 8.009 8.190 -0.445 0.000 0.447 312 I N -1.767 118.528 120.570 -0.457 0.000 2.286 312 I HA -0.511 nan 4.170 nan 0.000 0.248 312 I C 1.808 177.760 176.117 -0.275 0.000 1.115 312 I CA 3.908 64.983 61.300 -0.374 0.000 1.392 312 I CB -0.419 37.445 38.000 -0.226 0.000 1.065 312 I HN -0.265 7.696 8.210 -0.416 0.000 0.418 313 A N -0.963 121.673 122.820 -0.308 0.000 1.898 313 A HA -0.179 nan 4.320 nan 0.000 0.216 313 A C 1.996 179.400 177.584 -0.300 0.000 1.181 313 A CA 2.715 54.520 52.037 -0.387 0.000 0.620 313 A CB -0.528 17.997 19.000 -0.792 0.000 0.819 313 A HN -0.309 7.643 8.150 -0.322 0.005 0.442 314 A N -3.002 119.666 122.820 -0.254 0.000 2.066 314 A HA -0.126 nan 4.320 nan 0.000 0.218 314 A C 0.914 178.489 177.584 -0.015 0.000 1.157 314 A CA 2.074 54.056 52.037 -0.092 0.000 0.670 314 A CB -0.079 18.926 19.000 0.008 0.000 0.804 314 A HN 0.151 8.129 8.150 -0.287 0.000 0.453 315 N N -3.567 115.077 118.700 -0.093 0.000 2.338 315 N HA 0.231 nan 4.740 nan 0.000 0.251 315 N C 0.011 175.469 175.510 -0.086 0.000 1.199 315 N CA -0.326 52.691 53.050 -0.054 0.000 0.879 315 N CB 0.974 39.399 38.487 -0.103 0.000 1.159 315 N HN -0.530 7.608 8.380 -0.175 0.137 0.514 316 I N 0.977 121.431 120.570 -0.193 0.000 2.567 316 I HA -0.336 nan 4.170 nan 0.000 0.257 316 I C 0.425 176.396 176.117 -0.244 0.000 1.184 316 I CA 3.103 64.215 61.300 -0.313 0.000 1.451 316 I CB 0.110 37.776 38.000 -0.557 0.000 1.089 316 I HN -1.000 7.023 8.210 -0.197 0.068 0.441 317 F N -3.210 116.810 119.950 0.118 0.000 2.811 317 F HA -0.078 nan 4.527 nan 0.000 0.301 317 F C 0.615 176.484 175.800 0.115 0.000 1.151 317 F CA 1.108 59.191 58.000 0.139 0.000 1.412 317 F CB -0.481 38.575 39.000 0.093 0.000 1.113 317 F HN -0.354 7.865 8.300 -0.078 0.034 0.579 318 S N -0.528 115.289 115.700 0.195 0.000 2.453 318 S HA -0.195 nan 4.470 nan 0.000 0.231 318 S C 0.163 174.851 174.600 0.147 0.000 1.005 318 S CA 2.128 60.408 58.200 0.133 0.000 0.949 318 S CB 0.580 63.818 63.200 0.062 0.000 0.774 318 S HN -0.532 7.804 8.310 0.136 0.056 0.510 319 I N 2.004 122.692 120.570 0.196 0.000 2.304 319 I HA 0.271 nan 4.170 nan 0.000 0.291 319 I C -1.715 174.490 176.117 0.147 0.000 1.018 319 I CA -2.600 58.821 61.300 0.202 0.000 1.260 319 I CB 0.647 38.824 38.000 0.294 0.000 1.390 319 I HN -0.992 7.304 8.210 0.215 0.042 0.475 320 P HA -0.370 nan 4.420 nan 0.000 0.217 320 P C 0.858 178.153 177.300 -0.007 0.000 1.162 320 P CA 2.796 65.919 63.100 0.038 0.000 0.901 320 P CB -0.067 31.639 31.700 0.010 0.000 0.793 321 Y N -1.820 118.310 120.300 -0.284 0.000 2.102 321 Y HA -0.502 nan 4.550 nan 0.000 0.280 321 Y C 1.781 177.427 175.900 -0.423 0.000 1.178 321 Y CA 3.901 61.739 58.100 -0.437 0.000 1.146 321 Y CB -0.054 37.969 38.460 -0.727 0.000 0.968 321 Y HN -0.170 8.051 8.280 -0.099 0.000 0.504 322 F N -3.748 116.207 119.950 0.008 0.000 2.367 322 F HA -0.234 nan 4.527 nan 0.000 0.298 322 F C 2.471 178.359 175.800 0.147 0.000 1.094 322 F CA 2.794 60.770 58.000 -0.040 0.000 1.409 322 F CB -0.510 38.443 39.000 -0.077 0.000 1.064 322 F HN -0.584 7.609 8.300 -0.179 0.000 0.528 323 Q N 0.228 120.219 119.800 0.318 0.000 2.124 323 Q HA -0.312 nan 4.340 nan 0.000 0.202 323 Q C 1.948 178.014 176.000 0.110 0.000 0.977 323 Q CA 3.171 59.148 55.803 0.289 0.000 0.850 323 Q CB -0.079 28.776 28.738 0.196 0.000 0.901 323 Q HN -0.356 7.954 8.270 0.240 0.104 0.429 324 Q N -3.790 116.014 119.800 0.008 0.000 2.373 324 Q HA 0.003 nan 4.340 nan 0.000 0.210 324 Q C 1.647 177.595 176.000 -0.086 0.000 0.913 324 Q CA 1.797 57.573 55.803 -0.045 0.000 0.911 324 Q CB 1.239 29.939 28.738 -0.063 0.000 1.040 324 Q HN -0.093 8.161 8.270 -0.026 0.000 0.521 325 T N -1.616 112.835 114.554 -0.171 0.000 3.044 325 T HA 0.125 nan 4.350 nan 0.000 0.255 325 T C 0.045 174.712 174.700 -0.054 0.000 1.073 325 T CA 1.289 63.261 62.100 -0.212 0.000 1.125 325 T CB 0.876 69.385 68.868 -0.598 0.000 0.908 325 T HN -0.303 7.795 8.240 -0.236 0.000 0.480 326 G N 0.865 109.723 108.800 0.098 0.000 2.781 326 G HA2 -0.311 nan 3.960 nan 0.000 0.683 326 G HA3 -0.311 nan 3.960 nan 0.000 0.683 326 G C -2.240 172.776 174.900 0.194 0.000 1.390 326 G CA -0.446 44.773 45.100 0.198 0.000 0.850 326 G HN -0.380 7.886 8.290 0.139 0.108 0.557 327 V N 1.391 121.385 119.914 0.132 0.000 2.328 327 V HA 0.123 nan 4.120 nan 0.000 0.278 327 V C 0.023 176.055 176.094 -0.102 0.000 1.021 327 V CA -1.042 61.224 62.300 -0.057 0.000 0.838 327 V CB -0.077 31.550 31.823 -0.325 0.000 0.999 327 V HN -0.062 8.239 8.190 0.185 0.000 0.447 328 R N 6.154 126.623 120.500 -0.050 0.000 2.237 328 R HA -0.039 nan 4.340 nan 0.000 0.219 328 R C 0.142 176.414 176.300 -0.048 0.000 1.080 328 R CA -0.039 56.046 56.100 -0.026 0.000 0.995 328 R CB 0.374 30.691 30.300 0.028 0.000 0.875 328 R HN 0.633 8.908 8.270 0.009 0.000 0.462 329 G N -4.692 104.000 108.800 -0.180 0.000 2.339 329 G HA2 0.017 nan 3.960 nan 0.000 0.302 329 G HA3 0.017 nan 3.960 nan 0.000 0.302 329 G C -2.720 172.020 174.900 -0.266 0.000 1.425 329 G CA -0.421 44.557 45.100 -0.203 0.000 0.899 329 G HN -0.942 7.145 8.290 -0.257 0.049 0.619 330 F N -1.141 118.811 119.950 0.003 0.000 2.523 330 F HA 0.988 nan 4.527 nan 0.000 0.329 330 F C -1.661 174.171 175.800 0.052 0.000 1.061 330 F CA -2.631 55.353 58.000 -0.027 0.000 0.967 330 F CB 3.801 42.746 39.000 -0.092 0.000 1.218 330 F HN 0.669 8.929 8.300 -0.067 0.000 0.480 331 A N -0.819 122.134 122.820 0.223 0.000 2.577 331 A HA 0.834 nan 4.320 nan 0.000 0.297 331 A C -2.966 174.677 177.584 0.099 0.000 1.060 331 A CA 0.121 52.289 52.037 0.219 0.000 0.697 331 A CB 3.162 22.381 19.000 0.364 0.000 1.281 331 A HN 0.340 8.586 8.150 0.160 0.000 0.402 332 R N -0.427 120.191 120.500 0.196 0.000 2.725 332 R HA 0.806 nan 4.340 nan 0.000 0.277 332 R C -0.817 175.611 176.300 0.214 0.000 0.987 332 R CA -2.128 54.068 56.100 0.160 0.000 0.901 332 R CB 3.625 33.928 30.300 0.006 0.000 1.207 332 R HN 0.352 8.760 8.270 0.229 0.000 0.463 333 S N 0.617 116.442 115.700 0.209 0.000 2.579 333 S HA 0.181 nan 4.470 nan 0.000 0.275 333 S C 1.525 176.031 174.600 -0.155 0.000 1.345 333 S CA -0.035 58.154 58.200 -0.019 0.000 1.031 333 S CB 1.190 64.373 63.200 -0.029 0.000 0.892 333 S HN -0.049 8.436 8.310 0.291 0.000 0.529 334 M N 3.450 122.858 119.600 -0.319 0.000 2.144 334 M HA -0.143 nan 4.480 nan 0.000 0.260 334 M C -1.574 174.487 176.300 -0.398 0.000 1.067 334 M CA 4.014 59.021 55.300 -0.488 0.000 1.095 334 M CB -2.384 29.577 32.600 -1.065 0.000 1.365 334 M HN 0.990 9.079 8.290 -0.335 0.000 0.406 335 P HA -0.024 nan 4.420 nan 0.000 0.230 335 P C -0.331 176.816 177.300 -0.255 0.000 1.158 335 P CA 0.630 63.372 63.100 -0.598 0.000 0.769 335 P CB -0.310 30.646 31.700 -1.239 0.000 0.807 336 T N 2.342 116.765 114.554 -0.218 0.000 2.926 336 T HA 0.053 nan 4.350 nan 0.000 0.307 336 T C -0.137 174.388 174.700 -0.292 0.000 1.059 336 T CA 0.780 62.701 62.100 -0.297 0.000 1.122 336 T CB 0.345 69.092 68.868 -0.202 0.000 0.972 336 T HN -0.446 7.600 8.240 -0.220 0.062 0.545 337 S N 3.776 119.145 115.700 -0.551 0.000 2.569 337 S HA -0.177 nan 4.470 nan 0.000 0.274 337 S C 1.622 176.170 174.600 -0.085 0.000 1.353 337 S CA 0.314 58.398 58.200 -0.193 0.000 1.023 337 S CB 0.660 63.727 63.200 -0.221 0.000 0.876 337 S HN -0.076 7.601 8.310 -1.055 0.000 0.540 338 G N -1.293 107.515 108.800 0.013 0.000 3.155 338 G HA2 0.007 nan 3.960 nan 0.000 0.213 338 G HA3 0.007 nan 3.960 nan 0.000 0.213 338 G C -0.163 174.736 174.900 -0.002 0.000 1.196 338 G CA -0.103 44.993 45.100 -0.005 0.000 0.846 338 G HN 0.192 8.946 8.290 0.085 -0.413 0.516 339 A N 2.294 125.117 122.820 0.005 0.000 1.908 339 A HA -0.238 nan 4.320 nan 0.000 0.218 339 A C 1.302 178.838 177.584 -0.079 0.000 1.181 339 A CA 2.951 55.007 52.037 0.032 0.000 0.627 339 A CB -0.624 18.394 19.000 0.031 0.000 0.818 339 A HN -0.469 7.559 8.150 -0.024 0.108 0.445 340 L N -3.883 117.253 121.223 -0.145 0.000 2.141 340 L HA -0.247 nan 4.340 nan 0.000 0.209 340 L C 0.935 177.668 176.870 -0.228 0.000 1.094 340 L CA 2.551 57.244 54.840 -0.244 0.000 0.763 340 L CB -0.264 41.660 42.059 -0.226 0.000 0.908 340 L HN -0.083 8.068 8.230 -0.131 0.000 0.437 341 D N -0.050 120.272 120.400 -0.129 0.000 2.117 341 D HA -0.237 nan 4.640 nan 0.000 0.198 341 D C 2.407 178.657 176.300 -0.083 0.000 0.982 341 D CA 3.576 57.523 54.000 -0.089 0.000 0.828 341 D CB -0.814 39.950 40.800 -0.059 0.000 0.967 341 D HN -0.451 7.707 8.370 -0.103 0.151 0.464 342 R N -1.585 118.873 120.500 -0.071 0.000 2.152 342 R HA -0.185 nan 4.340 nan 0.000 0.232 342 R C 2.499 178.777 176.300 -0.036 0.000 1.117 342 R CA 2.063 58.160 56.100 -0.005 0.000 0.981 342 R CB -0.823 29.545 30.300 0.112 0.000 0.870 342 R HN -0.190 8.045 8.270 -0.058 0.000 0.451 343 V N -0.465 119.277 119.914 -0.287 0.000 2.300 343 V HA -0.153 nan 4.120 nan 0.000 0.241 343 V C 2.098 178.101 176.094 -0.153 0.000 1.034 343 V CA 3.308 65.354 62.300 -0.424 0.000 1.021 343 V CB -0.456 30.977 31.823 -0.649 0.000 0.662 343 V HN -0.774 7.109 8.190 -0.293 0.132 0.458 344 A N -0.541 122.168 122.820 -0.185 0.000 1.917 344 A HA -0.444 nan 4.320 nan 0.000 0.219 344 A C 2.137 179.770 177.584 0.083 0.000 1.182 344 A CA 3.244 55.310 52.037 0.049 0.000 0.633 344 A CB -0.743 18.300 19.000 0.072 0.000 0.819 344 A HN 0.299 8.262 8.150 -0.311 0.000 0.448 345 N N -1.076 117.643 118.700 0.033 0.000 2.309 345 N HA -0.257 nan 4.740 nan 0.000 0.182 345 N C 1.256 176.809 175.510 0.070 0.000 1.018 345 N CA 2.002 55.077 53.050 0.043 0.000 0.876 345 N CB 0.039 38.540 38.487 0.023 0.000 0.972 345 N HN 0.390 8.754 8.380 -0.005 0.013 0.434 346 A N -1.972 120.911 122.820 0.106 0.000 2.239 346 A HA 0.018 nan 4.320 nan 0.000 0.209 346 A C -0.566 177.090 177.584 0.121 0.000 1.171 346 A CA 0.673 52.789 52.037 0.131 0.000 0.768 346 A CB -0.112 19.020 19.000 0.220 0.000 0.790 346 A HN -0.316 7.778 8.150 0.105 0.118 0.478 347 T N -4.395 110.230 114.554 0.119 0.000 2.742 347 T HA 0.164 nan 4.350 nan 0.000 0.282 347 T C -1.209 173.540 174.700 0.082 0.000 1.025 347 T CA -0.976 61.197 62.100 0.121 0.000 1.020 347 T CB 1.886 70.866 68.868 0.187 0.000 1.317 347 T HN -0.347 7.762 8.240 0.111 0.198 0.538 348 K N -0.955 119.483 120.400 0.065 0.000 2.437 348 K HA 0.262 nan 4.320 nan 0.000 0.205 348 K C -0.845 175.763 176.600 0.014 0.000 1.026 348 K CA -0.444 55.863 56.287 0.033 0.000 1.153 348 K CB 0.308 32.822 32.500 0.024 0.000 0.863 348 K HN 0.208 8.503 8.250 0.074 0.000 0.502 349 I N 1.883 122.466 120.570 0.022 0.000 2.325 349 I HA -0.143 nan 4.170 nan 0.000 0.291 349 I C -0.940 175.143 176.117 -0.057 0.000 1.019 349 I CA -0.479 60.786 61.300 -0.059 0.000 1.302 349 I CB 0.761 38.657 38.000 -0.173 0.000 1.401 349 I HN -0.525 7.631 8.210 0.072 0.097 0.485 350 A N 7.843 130.586 122.820 -0.130 0.000 2.483 350 A HA -0.100 nan 4.320 nan 0.000 0.238 350 A C -1.781 175.599 177.584 -0.340 0.000 1.070 350 A CA 0.264 52.151 52.037 -0.251 0.000 0.770 350 A CB 0.618 19.412 19.000 -0.343 0.000 1.008 350 A HN 0.274 8.354 8.150 -0.116 0.000 0.497 351 L N 1.955 122.937 121.223 -0.403 0.000 2.349 351 L HA 0.599 nan 4.340 nan 0.000 0.278 351 L C -1.900 174.708 176.870 -0.437 0.000 0.996 351 L CA -0.460 54.216 54.840 -0.274 0.000 0.825 351 L CB 2.309 44.326 42.059 -0.071 0.000 1.243 351 L HN -0.073 7.938 8.230 -0.366 0.000 0.412 352 Y N 5.349 125.738 120.300 0.148 0.000 2.420 352 Y HA 0.261 nan 4.550 nan 0.000 0.334 352 Y C -1.450 174.557 175.900 0.180 0.000 1.094 352 Y CA -1.457 56.751 58.100 0.180 0.000 1.126 352 Y CB 2.880 41.467 38.460 0.212 0.000 1.217 352 Y HN 0.580 8.871 8.280 0.017 0.000 0.462 353 E N 2.450 122.870 120.200 0.366 0.000 2.185 353 E HA 0.441 nan 4.350 nan 0.000 0.261 353 E C -1.341 175.387 176.600 0.213 0.000 0.879 353 E CA -1.550 54.982 56.400 0.219 0.000 0.756 353 E CB 1.706 31.503 29.700 0.163 0.000 1.152 353 E HN 0.079 8.717 8.360 0.464 0.000 0.416 354 T N 1.286 115.813 114.554 -0.045 0.000 2.926 354 T HA 0.619 nan 4.350 nan 0.000 0.289 354 T C -2.635 171.771 174.700 -0.490 0.000 1.054 354 T CA -3.404 58.389 62.100 -0.511 0.000 1.015 354 T CB 0.363 68.850 68.868 -0.636 0.000 1.167 354 T HN 0.457 8.697 8.240 -0.000 0.000 0.526 355 P HA 0.030 nan 4.420 nan 0.000 0.272 355 P C -0.790 176.328 177.300 -0.304 0.000 1.254 355 P CA -0.046 62.783 63.100 -0.452 0.000 0.795 355 P CB 0.519 31.786 31.700 -0.723 0.000 1.022 356 T N 1.262 115.751 114.554 -0.109 0.000 2.916 356 T HA 0.034 nan 4.350 nan 0.000 0.303 356 T C -0.253 174.481 174.700 0.057 0.000 1.025 356 T CA 2.113 64.195 62.100 -0.030 0.000 1.142 356 T CB 0.220 69.110 68.868 0.037 0.000 0.947 356 T HN 0.312 8.510 8.240 -0.070 0.000 0.544 357 G N 6.316 115.112 108.800 -0.007 0.000 3.239 357 G HA2 -0.131 nan 3.960 nan 0.000 0.666 357 G HA3 -0.131 nan 3.960 nan 0.000 0.666 357 G C -0.622 174.147 174.900 -0.218 0.000 1.313 357 G CA -0.451 44.654 45.100 0.008 0.000 1.001 357 G HN -0.191 8.299 8.290 -0.071 -0.243 0.573 358 W N 3.472 124.696 121.300 -0.127 0.000 2.308 358 W HA -0.442 nan 4.660 nan 0.000 0.301 358 W C 0.278 176.699 176.519 -0.164 0.000 1.220 358 W CA 3.950 61.259 57.345 -0.061 0.000 1.240 358 W CB 0.167 29.664 29.460 0.061 0.000 1.142 358 W HN 0.351 8.654 8.180 0.206 0.000 0.521 359 K N -2.827 117.361 120.400 -0.354 0.000 2.211 359 K HA -0.305 nan 4.320 nan 0.000 0.204 359 K C 2.261 178.457 176.600 -0.673 0.000 1.047 359 K CA 2.552 58.540 56.287 -0.498 0.000 0.935 359 K CB -1.570 30.597 32.500 -0.554 0.000 0.728 359 K HN 0.155 8.271 8.250 -0.202 0.013 0.452 360 F N -0.831 118.846 119.950 -0.456 0.000 2.206 360 F HA -0.203 nan 4.527 nan 0.000 0.298 360 F C 2.030 177.597 175.800 -0.390 0.000 1.090 360 F CA 3.138 60.889 58.000 -0.415 0.000 1.323 360 F CB -0.608 38.043 39.000 -0.581 0.000 1.028 360 F HN -0.332 7.430 8.300 -0.847 0.030 0.492 361 F N -0.444 119.247 119.950 -0.432 0.000 2.075 361 F HA -0.279 nan 4.527 nan 0.000 0.297 361 F C 2.257 177.660 175.800 -0.662 0.000 1.113 361 F CA 1.374 59.025 58.000 -0.582 0.000 1.218 361 F CB -1.363 37.073 39.000 -0.940 0.000 0.984 361 F HN -0.527 7.250 8.300 -0.871 0.000 0.472 362 G N -2.119 106.119 108.800 -0.936 0.000 2.469 362 G HA2 -0.485 nan 3.960 nan 0.000 0.219 362 G HA3 -0.485 nan 3.960 nan 0.000 0.219 362 G C 1.009 175.824 174.900 -0.142 0.000 1.150 362 G CA 2.574 47.378 45.100 -0.494 0.000 0.763 362 G HN 0.458 7.866 8.290 -1.469 0.000 0.561 363 N N 1.229 119.835 118.700 -0.158 0.000 2.216 363 N HA -0.115 nan 4.740 nan 0.000 0.183 363 N C 2.314 177.794 175.510 -0.049 0.000 1.017 363 N CA 2.410 55.420 53.050 -0.066 0.000 0.861 363 N CB -0.345 38.114 38.487 -0.047 0.000 0.986 363 N HN -0.354 7.879 8.380 -0.246 0.000 0.428 364 L N 0.286 121.470 121.223 -0.065 0.000 2.093 364 L HA -0.352 nan 4.340 nan 0.000 0.208 364 L C 1.697 178.540 176.870 -0.044 0.000 1.085 364 L CA 3.004 57.787 54.840 -0.094 0.000 0.755 364 L CB -0.279 41.693 42.059 -0.146 0.000 0.904 364 L HN -0.691 7.496 8.230 -0.071 0.000 0.435 365 M N -0.197 119.396 119.600 -0.013 0.000 2.086 365 M HA -0.474 nan 4.480 nan 0.000 0.261 365 M C 2.631 178.953 176.300 0.038 0.000 1.067 365 M CA 4.444 59.765 55.300 0.034 0.000 1.116 365 M CB -0.151 32.493 32.600 0.074 0.000 1.348 365 M HN 0.326 8.595 8.290 -0.035 0.000 0.407 366 D N -0.649 119.769 120.400 0.031 0.000 2.310 366 D HA -0.173 nan 4.640 nan 0.000 0.212 366 D C 0.439 176.748 176.300 0.015 0.000 0.965 366 D CA 2.627 56.645 54.000 0.030 0.000 0.879 366 D CB -0.432 40.385 40.800 0.028 0.000 0.921 366 D HN 0.122 8.506 8.370 0.023 0.000 0.510 367 A N -4.109 118.711 122.820 -0.000 0.000 2.251 367 A HA 0.001 nan 4.320 nan 0.000 0.209 367 A C -0.739 176.847 177.584 0.004 0.000 1.187 367 A CA 0.086 52.119 52.037 -0.006 0.000 0.823 367 A CB -0.091 18.891 19.000 -0.029 0.000 0.846 367 A HN -0.873 7.128 8.150 -0.009 0.143 0.486 368 S N -4.806 110.903 115.700 0.016 0.000 3.748 368 S HA -0.335 nan 4.470 nan 0.000 0.329 368 S C -0.018 174.601 174.600 0.032 0.000 1.104 368 S CA 1.244 59.461 58.200 0.028 0.000 0.954 368 S CB -1.270 61.944 63.200 0.024 0.000 0.910 368 S HN -0.147 7.976 8.310 0.020 0.199 0.494 369 K N -2.742 117.674 120.400 0.025 0.000 2.438 369 K HA 0.154 nan 4.320 nan 0.000 0.206 369 K C -1.372 175.293 176.600 0.107 0.000 1.081 369 K CA -0.981 55.338 56.287 0.052 0.000 1.053 369 K CB 1.464 33.947 32.500 -0.029 0.000 0.908 369 K HN -0.233 7.996 8.250 0.010 0.027 0.556 370 L N -1.281 119.987 121.223 0.074 0.000 2.476 370 L HA 0.133 nan 4.340 nan 0.000 0.269 370 L C -1.217 175.700 176.870 0.079 0.000 0.965 370 L CA -0.247 54.649 54.840 0.094 0.000 0.845 370 L CB 1.957 44.061 42.059 0.076 0.000 1.259 370 L HN -0.658 7.605 8.230 0.056 0.000 0.403 371 S N 4.521 120.252 115.700 0.051 0.000 2.527 371 S HA 0.253 nan 4.470 nan 0.000 0.227 371 S C -1.414 173.269 174.600 0.138 0.000 1.059 371 S CA 1.234 59.521 58.200 0.145 0.000 0.919 371 S CB 2.643 65.923 63.200 0.134 0.000 0.805 371 S HN 0.854 9.043 8.310 -0.011 0.114 0.500 372 L N -0.302 120.947 121.223 0.044 0.000 2.408 372 L HA 0.541 nan 4.340 nan 0.000 0.268 372 L C -3.130 173.723 176.870 -0.029 0.000 0.986 372 L CA -0.400 54.463 54.840 0.039 0.000 0.820 372 L CB 3.523 45.647 42.059 0.108 0.000 1.303 372 L HN -0.755 7.493 8.230 0.031 0.000 0.411 373 C N 1.714 120.905 119.300 -0.181 0.000 2.985 373 C HA 0.934 nan 4.460 nan 0.000 0.314 373 C C -1.819 172.951 174.990 -0.366 0.000 1.215 373 C CA -3.029 55.736 59.018 -0.423 0.000 1.414 373 C CB 3.728 30.816 27.740 -1.086 0.000 1.842 373 C HN 0.840 8.976 8.230 -0.156 0.000 0.477 374 G N -0.109 108.504 108.800 -0.313 0.000 2.612 374 G HA2 0.717 nan 3.960 nan 0.000 0.298 374 G HA3 0.717 nan 3.960 nan 0.000 0.298 374 G C -3.201 171.710 174.900 0.019 0.000 1.336 374 G CA -0.615 44.414 45.100 -0.118 0.000 0.953 374 G HN 0.573 8.676 8.290 -0.311 0.000 0.482 375 E N 0.567 120.819 120.200 0.088 0.000 2.266 375 E HA 0.392 nan 4.350 nan 0.000 0.268 375 E C 0.643 177.245 176.600 0.004 0.000 0.879 375 E CA -2.269 54.212 56.400 0.135 0.000 0.762 375 E CB 4.105 33.950 29.700 0.242 0.000 1.199 375 E HN 0.136 8.536 8.360 0.066 0.000 0.422 376 E N 3.065 123.231 120.200 -0.057 0.000 2.333 376 E HA -0.281 nan 4.350 nan 0.000 0.198 376 E C 0.687 177.225 176.600 -0.104 0.000 1.007 376 E CA 2.781 59.099 56.400 -0.137 0.000 0.845 376 E CB -0.360 29.295 29.700 -0.075 0.000 0.766 376 E HN 0.364 8.694 8.360 -0.049 0.000 0.507 377 S N -0.615 115.112 115.700 0.045 0.000 3.324 377 S HA -0.043 nan 4.470 nan 0.000 0.229 377 S C -0.672 174.066 174.600 0.230 0.000 1.417 377 S CA -1.014 57.272 58.200 0.143 0.000 1.211 377 S CB -1.884 61.460 63.200 0.240 0.000 1.157 377 S HN -0.342 7.990 8.310 0.102 0.039 0.491 378 F N -2.219 117.827 119.950 0.159 0.000 3.093 378 F HA -0.484 nan 4.527 nan 0.000 0.287 378 F C -0.681 175.220 175.800 0.168 0.000 0.882 378 F CA 0.862 58.954 58.000 0.154 0.000 1.063 378 F CB -2.321 36.768 39.000 0.148 0.000 1.097 378 F HN -0.193 7.624 8.300 -0.668 0.083 0.604 379 G N -2.515 106.418 108.800 0.222 0.000 2.417 379 G HA2 0.405 nan 3.960 nan 0.000 0.320 379 G HA3 0.405 nan 3.960 nan 0.000 0.320 379 G C -2.350 172.666 174.900 0.192 0.000 1.204 379 G CA -0.552 44.695 45.100 0.246 0.000 0.923 379 G HN -0.705 7.638 8.290 0.126 0.022 0.466 380 T N 4.104 118.790 114.554 0.221 0.000 2.952 380 T HA 0.743 nan 4.350 nan 0.000 0.305 380 T C -1.557 173.241 174.700 0.162 0.000 1.064 380 T CA -0.889 61.325 62.100 0.189 0.000 1.008 380 T CB 2.996 72.041 68.868 0.294 0.000 1.078 380 T HN 0.179 8.573 8.240 0.256 0.000 0.459 381 G N 1.768 110.570 108.800 0.005 0.000 2.645 381 G HA2 0.734 nan 3.960 nan 0.000 0.292 381 G HA3 0.734 nan 3.960 nan 0.000 0.292 381 G C -3.350 171.339 174.900 -0.351 0.000 1.415 381 G CA -0.600 44.417 45.100 -0.138 0.000 0.785 381 G HN 0.233 8.499 8.290 -0.039 0.000 0.483 382 S N -2.274 113.199 115.700 -0.379 0.000 2.671 382 S HA 0.492 nan 4.470 nan 0.000 0.277 382 S C -0.420 174.164 174.600 -0.028 0.000 1.165 382 S CA -2.240 55.819 58.200 -0.235 0.000 0.822 382 S CB 2.417 65.276 63.200 -0.569 0.000 1.150 382 S HN 0.138 8.282 8.310 -0.276 0.000 0.479 383 D N 1.008 121.470 120.400 0.103 0.000 2.325 383 D HA 0.036 nan 4.640 nan 0.000 0.234 383 D C 0.622 176.942 176.300 0.033 0.000 1.122 383 D CA 0.033 54.089 54.000 0.094 0.000 0.850 383 D CB -1.045 39.848 40.800 0.155 0.000 0.921 383 D HN 0.051 8.542 8.370 0.203 0.000 0.513 384 H N -2.532 116.438 119.070 -0.167 0.000 2.421 384 H HA -0.281 nan 4.556 nan 0.000 0.298 384 H C -0.193 175.068 175.328 -0.110 0.000 1.087 384 H CA 2.011 57.923 56.048 -0.227 0.000 1.330 384 H CB 0.086 29.604 29.762 -0.407 0.000 1.388 384 H HN -0.611 7.626 8.280 0.061 0.080 0.526 385 I N -7.469 112.725 120.570 -0.627 0.000 3.466 385 I HA 0.343 nan 4.170 nan 0.000 0.311 385 I C -0.809 175.162 176.117 -0.243 0.000 1.155 385 I CA -2.265 58.786 61.300 -0.415 0.000 0.959 385 I CB 3.493 41.195 38.000 -0.497 0.000 1.332 385 I HN -0.947 6.808 8.210 -0.667 0.055 0.483 386 R N -0.366 119.999 120.500 -0.225 0.000 2.865 386 R HA 0.311 nan 4.340 nan 0.000 0.370 386 R C -1.486 174.236 176.300 -0.963 0.000 1.168 386 R CA -1.723 54.283 56.100 -0.156 0.000 1.058 386 R CB -0.029 30.279 30.300 0.013 0.000 1.419 386 R HN 0.186 8.307 8.270 -0.249 0.000 0.580 387 E N -3.498 116.146 120.200 -0.925 0.000 2.430 387 E HA 0.250 nan 4.350 nan 0.000 0.279 387 E C -1.114 175.086 176.600 -0.665 0.000 1.003 387 E CA -1.716 53.994 56.400 -1.150 0.000 0.801 387 E CB 4.236 33.557 29.700 -0.631 0.000 1.313 387 E HN -0.284 7.670 8.360 -0.554 0.073 0.459 388 K N -0.063 120.053 120.400 -0.473 0.000 2.120 388 K HA 0.071 nan 4.320 nan 0.000 0.245 388 K C -0.689 175.906 176.600 -0.008 0.000 1.024 388 K CA 0.407 56.659 56.287 -0.059 0.000 0.906 388 K CB 0.934 33.497 32.500 0.105 0.000 1.051 388 K HN 0.345 8.231 8.250 -0.607 0.000 0.491 389 D N -0.526 119.960 120.400 0.142 0.000 2.613 389 D HA 0.183 nan 4.640 nan 0.000 0.230 389 D C 0.291 176.794 176.300 0.338 0.000 1.365 389 D CA -0.448 53.686 54.000 0.223 0.000 0.976 389 D CB 2.025 43.054 40.800 0.382 0.000 1.415 389 D HN -0.123 8.359 8.370 0.187 0.000 0.589 390 G N 3.485 112.453 108.800 0.281 0.000 2.403 390 G HA2 -0.191 nan 3.960 nan 0.000 0.216 390 G HA3 -0.191 nan 3.960 nan 0.000 0.216 390 G C 0.379 175.589 174.900 0.516 0.000 1.154 390 G CA 1.970 47.342 45.100 0.453 0.000 0.784 390 G HN 0.786 9.174 8.290 0.164 0.000 0.538 391 L N 0.522 121.869 121.223 0.206 0.000 2.217 391 L HA -0.080 nan 4.340 nan 0.000 0.211 391 L C 0.587 177.659 176.870 0.337 0.000 1.107 391 L CA 1.469 56.440 54.840 0.217 0.000 0.783 391 L CB -0.297 41.755 42.059 -0.012 0.000 0.919 391 L HN -0.551 7.781 8.230 0.033 -0.082 0.442 392 W N 0.278 121.719 121.300 0.235 0.000 2.358 392 W HA -0.463 nan 4.660 nan 0.000 0.303 392 W C 0.847 177.498 176.519 0.220 0.000 1.208 392 W CA 4.453 61.929 57.345 0.219 0.000 1.274 392 W CB -0.002 29.558 29.460 0.166 0.000 1.138 392 W HN -0.404 8.365 8.180 0.577 -0.244 0.515 393 A N -1.462 121.760 122.820 0.670 0.000 1.972 393 A HA -0.348 nan 4.320 nan 0.000 0.219 393 A C 2.173 179.959 177.584 0.336 0.000 1.169 393 A CA 3.038 55.397 52.037 0.536 0.000 0.635 393 A CB -0.983 18.366 19.000 0.581 0.000 0.810 393 A HN -0.445 8.146 8.150 0.735 0.000 0.446 394 V N 0.292 120.401 119.914 0.326 0.000 2.307 394 V HA -0.417 nan 4.120 nan 0.000 0.245 394 V C 1.783 177.856 176.094 -0.036 0.000 1.045 394 V CA 4.690 67.159 62.300 0.282 0.000 1.024 394 V CB -0.663 31.387 31.823 0.378 0.000 0.651 394 V HN -0.355 7.986 8.190 0.410 0.095 0.449 395 L N -2.196 118.845 121.223 -0.303 0.000 2.141 395 L HA -0.388 nan 4.340 nan 0.000 0.209 395 L C 2.157 178.459 176.870 -0.947 0.000 1.094 395 L CA 3.153 57.532 54.840 -0.767 0.000 0.763 395 L CB -1.203 40.126 42.059 -1.216 0.000 0.908 395 L HN 0.043 8.160 8.230 -0.187 0.000 0.437 396 A N -0.051 122.293 122.820 -0.794 0.000 1.902 396 A HA -0.263 nan 4.320 nan 0.000 0.217 396 A C 1.618 179.027 177.584 -0.292 0.000 1.181 396 A CA 3.154 54.892 52.037 -0.498 0.000 0.623 396 A CB -1.042 17.588 19.000 -0.616 0.000 0.818 396 A HN 0.376 8.090 8.150 -0.726 0.000 0.443 397 W N -1.659 119.502 121.300 -0.232 0.000 2.388 397 W HA -0.313 nan 4.660 nan 0.000 0.294 397 W C 1.939 178.278 176.519 -0.300 0.000 1.212 397 W CA 4.035 61.285 57.345 -0.159 0.000 1.271 397 W CB 0.264 29.730 29.460 0.010 0.000 1.126 397 W HN -0.361 7.807 8.180 0.095 0.070 0.535 398 L N -2.303 118.805 121.223 -0.192 0.000 2.217 398 L HA -0.504 nan 4.340 nan 0.000 0.211 398 L C 2.014 178.762 176.870 -0.203 0.000 1.107 398 L CA 3.215 57.868 54.840 -0.311 0.000 0.783 398 L CB -0.550 41.263 42.059 -0.410 0.000 0.919 398 L HN 0.379 8.408 8.230 -0.218 0.071 0.442 399 S N 0.918 116.496 115.700 -0.203 0.000 2.382 399 S HA -0.311 nan 4.470 nan 0.000 0.228 399 S C 1.965 176.525 174.600 -0.067 0.000 1.027 399 S CA 4.732 62.870 58.200 -0.103 0.000 0.991 399 S CB -0.395 62.788 63.200 -0.028 0.000 0.823 399 S HN 0.049 8.176 8.310 -0.281 0.015 0.469 400 I N 1.851 122.358 120.570 -0.105 0.000 2.252 400 I HA -0.486 nan 4.170 nan 0.000 0.245 400 I C 1.289 177.382 176.117 -0.041 0.000 1.102 400 I CA 4.121 65.356 61.300 -0.108 0.000 1.385 400 I CB -0.129 37.703 38.000 -0.279 0.000 1.064 400 I HN -0.529 7.594 8.210 -0.145 0.000 0.414 401 L N -0.829 120.390 121.223 -0.006 0.000 2.017 401 L HA -0.521 nan 4.340 nan 0.000 0.208 401 L C 1.992 178.847 176.870 -0.025 0.000 1.073 401 L CA 3.354 58.198 54.840 0.007 0.000 0.745 401 L CB -0.692 41.356 42.059 -0.020 0.000 0.894 401 L HN -0.076 8.154 8.230 0.000 0.000 0.432 402 A N -1.821 120.970 122.820 -0.048 0.000 1.849 402 A HA -0.455 nan 4.320 nan 0.000 0.217 402 A C 2.211 179.786 177.584 -0.015 0.000 1.202 402 A CA 3.425 55.439 52.037 -0.038 0.000 0.629 402 A CB -1.010 17.963 19.000 -0.044 0.000 0.834 402 A HN 0.203 8.310 8.150 -0.072 0.000 0.447 403 T N 0.882 115.432 114.554 -0.007 0.000 2.665 403 T HA -0.338 nan 4.350 nan 0.000 0.268 403 T C 2.961 177.665 174.700 0.007 0.000 1.035 403 T CA 4.196 66.301 62.100 0.008 0.000 1.151 403 T CB -0.455 68.423 68.868 0.017 0.000 0.862 403 T HN -0.587 7.646 8.240 -0.012 0.000 0.438 404 R N -0.001 120.501 120.500 0.002 0.000 2.153 404 R HA -0.027 nan 4.340 nan 0.000 0.218 404 R C 0.770 177.073 176.300 0.005 0.000 1.072 404 R CA -0.056 56.048 56.100 0.006 0.000 0.990 404 R CB 0.033 30.337 30.300 0.006 0.000 0.889 404 R HN -0.028 8.239 8.270 -0.004 0.000 0.452 405 K N -3.728 116.672 120.400 0.001 0.000 3.077 405 K HA -0.403 nan 4.320 nan 0.000 0.264 405 K C -1.148 175.451 176.600 -0.002 0.000 1.008 405 K CA 1.178 57.463 56.287 -0.002 0.000 0.740 405 K CB -2.308 30.190 32.500 -0.002 0.000 1.273 405 K HN -0.114 8.135 8.250 -0.002 0.000 0.477 406 Q N -3.723 116.078 119.800 0.002 0.000 2.552 406 Q HA 0.415 nan 4.340 nan 0.000 0.289 406 Q C -1.001 174.997 176.000 -0.004 0.000 1.097 406 Q CA -2.020 53.781 55.803 -0.004 0.000 0.812 406 Q CB 3.981 32.716 28.738 -0.004 0.000 1.460 406 Q HN -0.412 7.837 8.270 0.008 0.026 0.452 407 S N -1.233 114.451 115.700 -0.027 0.000 2.645 407 S HA 0.170 nan 4.470 nan 0.000 0.266 407 S C 0.925 175.485 174.600 -0.066 0.000 1.258 407 S CA -0.880 57.292 58.200 -0.046 0.000 0.990 407 S CB 2.727 65.879 63.200 -0.079 0.000 0.967 407 S HN -0.097 8.479 8.310 -0.035 -0.286 0.556 408 V N 1.642 121.494 119.914 -0.102 0.000 2.287 408 V HA -0.443 nan 4.120 nan 0.000 0.248 408 V C 1.629 177.490 176.094 -0.388 0.000 1.053 408 V CA 4.765 66.967 62.300 -0.163 0.000 1.027 408 V CB -0.929 30.730 31.823 -0.273 0.000 0.646 408 V HN 0.824 8.959 8.190 -0.092 0.000 0.447 409 E N -1.846 117.949 120.200 -0.675 0.000 2.077 409 E HA -0.459 nan 4.350 nan 0.000 0.193 409 E C 1.619 177.979 176.600 -0.400 0.000 0.989 409 E CA 3.752 59.570 56.400 -0.969 0.000 0.800 409 E CB -0.479 28.695 29.700 -0.877 0.000 0.746 409 E HN -0.048 7.983 8.360 -0.548 0.000 0.452 410 D N -0.500 119.770 120.400 -0.216 0.000 2.178 410 D HA -0.229 nan 4.640 nan 0.000 0.202 410 D C 2.641 178.887 176.300 -0.090 0.000 0.974 410 D CA 3.202 57.136 54.000 -0.111 0.000 0.841 410 D CB -0.309 40.454 40.800 -0.062 0.000 0.953 410 D HN -0.528 7.719 8.370 -0.205 0.000 0.478 411 I N 0.375 120.900 120.570 -0.075 0.000 2.226 411 I HA -0.494 nan 4.170 nan 0.000 0.245 411 I C 1.882 177.946 176.117 -0.089 0.000 1.100 411 I CA 4.056 65.344 61.300 -0.020 0.000 1.374 411 I CB 0.045 38.100 38.000 0.092 0.000 1.057 411 I HN -0.151 8.010 8.210 -0.081 0.000 0.413 412 L N -0.588 120.498 121.223 -0.228 0.000 2.027 412 L HA -0.489 nan 4.340 nan 0.000 0.206 412 L C 1.846 178.348 176.870 -0.613 0.000 1.074 412 L CA 3.834 58.314 54.840 -0.601 0.000 0.745 412 L CB -0.451 41.117 42.059 -0.818 0.000 0.898 412 L HN -0.023 8.085 8.230 -0.204 0.000 0.433 413 K N -1.516 118.732 120.400 -0.254 0.000 2.211 413 K HA -0.425 nan 4.320 nan 0.000 0.204 413 K C 2.466 179.094 176.600 0.047 0.000 1.047 413 K CA 3.755 60.059 56.287 0.029 0.000 0.935 413 K CB -0.363 32.168 32.500 0.051 0.000 0.728 413 K HN 0.030 8.145 8.250 -0.225 0.000 0.452 414 D N -1.497 118.908 120.400 0.008 0.000 2.213 414 D HA -0.121 nan 4.640 nan 0.000 0.205 414 D C 1.903 178.280 176.300 0.129 0.000 0.961 414 D CA 2.525 56.559 54.000 0.058 0.000 0.853 414 D CB 0.267 41.085 40.800 0.030 0.000 0.967 414 D HN -0.265 8.068 8.370 -0.040 0.012 0.496 415 H N 2.160 121.248 119.070 0.031 0.000 2.326 415 H HA -0.269 nan 4.556 nan 0.000 0.301 415 H C 2.162 177.710 175.328 0.366 0.000 1.081 415 H CA 4.371 60.532 56.048 0.187 0.000 1.334 415 H CB 0.427 30.189 29.762 -0.001 0.000 1.385 415 H HN -0.221 8.020 8.280 0.085 0.089 0.504 416 W N -2.534 118.960 121.300 0.325 0.000 2.338 416 W HA -0.291 nan 4.660 nan 0.000 0.304 416 W C 3.058 179.698 176.519 0.202 0.000 1.212 416 W CA 3.108 60.585 57.345 0.221 0.000 1.264 416 W CB -0.854 28.695 29.460 0.150 0.000 1.142 416 W HN 0.318 8.603 8.180 0.175 0.000 0.512 417 H N -2.554 116.659 119.070 0.239 0.000 2.495 417 H HA -0.120 nan 4.556 nan 0.000 0.287 417 H C 1.636 176.954 175.328 -0.016 0.000 1.033 417 H CA 2.914 59.022 56.048 0.101 0.000 1.307 417 H CB 0.050 29.855 29.762 0.071 0.000 1.401 417 H HN -0.627 7.919 8.280 0.443 0.000 0.555 418 K N -1.280 119.113 120.400 -0.012 0.000 2.044 418 K HA -0.168 nan 4.320 nan 0.000 0.204 418 K C 1.196 177.446 176.600 -0.584 0.000 1.049 418 K CA 3.032 59.084 56.287 -0.392 0.000 0.945 418 K CB 0.835 32.932 32.500 -0.671 0.000 0.724 418 K HN -0.558 7.646 8.250 0.074 0.091 0.440 419 F N -5.588 114.334 119.950 -0.046 0.000 2.704 419 F HA 0.112 nan 4.527 nan 0.000 0.304 419 F C -0.834 175.065 175.800 0.165 0.000 1.094 419 F CA 0.199 58.200 58.000 0.002 0.000 1.275 419 F CB 1.785 40.707 39.000 -0.130 0.000 1.073 419 F HN -0.083 8.153 8.300 -0.108 0.000 0.586 420 G N -0.900 108.058 108.800 0.264 0.000 2.746 420 G HA2 -0.425 nan 3.960 nan 0.000 0.685 420 G HA3 -0.425 nan 3.960 nan 0.000 0.685 420 G C -2.093 172.895 174.900 0.146 0.000 1.350 420 G CA -0.603 44.580 45.100 0.138 0.000 0.837 420 G HN -0.388 7.946 8.290 0.192 0.071 0.564 421 R N -0.140 120.214 120.500 -0.244 0.000 2.514 421 R HA 0.226 nan 4.340 nan 0.000 0.301 421 R C -1.509 174.558 176.300 -0.388 0.000 0.962 421 R CA -1.952 53.896 56.100 -0.420 0.000 0.882 421 R CB 2.688 32.343 30.300 -1.076 0.000 1.143 421 R HN 0.435 8.445 8.270 -0.432 0.000 0.452 422 N N 5.370 123.987 118.700 -0.139 0.000 2.609 422 N HA 0.115 nan 4.740 nan 0.000 0.234 422 N C -0.802 174.673 175.510 -0.058 0.000 1.001 422 N CA -0.303 52.792 53.050 0.074 0.000 0.926 422 N CB 0.751 39.374 38.487 0.226 0.000 1.130 422 N HN 0.307 8.647 8.380 -0.065 0.000 0.510 423 F N 4.361 124.302 119.950 -0.013 0.000 2.518 423 F HA -0.175 nan 4.527 nan 0.000 0.359 423 F C -1.011 174.868 175.800 0.131 0.000 1.118 423 F CA 1.729 59.719 58.000 -0.017 0.000 1.287 423 F CB 1.030 39.990 39.000 -0.066 0.000 1.132 423 F HN 0.273 8.636 8.300 0.240 0.081 0.587 424 F N 3.675 123.716 119.950 0.152 0.000 2.608 424 F HA 0.389 nan 4.527 nan 0.000 0.309 424 F C -2.197 173.669 175.800 0.110 0.000 1.103 424 F CA -0.693 57.373 58.000 0.110 0.000 0.954 424 F CB 3.260 42.308 39.000 0.081 0.000 1.267 424 F HN -0.403 8.100 8.300 0.339 0.000 0.444 425 T N 6.905 121.033 114.554 -0.710 0.000 2.853 425 T HA 0.418 nan 4.350 nan 0.000 0.311 425 T C -3.095 171.239 174.700 -0.609 0.000 1.307 425 T CA -0.491 61.370 62.100 -0.399 0.000 1.019 425 T CB 2.625 71.429 68.868 -0.107 0.000 1.264 425 T HN 0.771 8.400 8.240 -1.019 0.000 0.497 426 R N 3.638 123.993 120.500 -0.241 0.000 2.502 426 R HA 0.706 nan 4.340 nan 0.000 0.300 426 R C -1.773 174.502 176.300 -0.043 0.000 0.984 426 R CA -1.384 54.545 56.100 -0.285 0.000 0.882 426 R CB 3.438 33.609 30.300 -0.215 0.000 1.180 426 R HN 0.144 8.391 8.270 -0.039 0.000 0.444 427 Y N 6.642 126.712 120.300 -0.384 0.000 2.367 427 Y HA 0.398 nan 4.550 nan 0.000 0.342 427 Y C -1.299 174.334 175.900 -0.445 0.000 0.979 427 Y CA -2.861 55.001 58.100 -0.397 0.000 1.161 427 Y CB 0.665 38.919 38.460 -0.344 0.000 1.155 427 Y HN 0.922 9.062 8.280 -0.234 0.000 0.503 428 D N 4.373 124.574 120.400 -0.331 0.000 2.193 428 D HA 0.456 nan 4.640 nan 0.000 0.244 428 D C -1.137 174.891 176.300 -0.453 0.000 1.064 428 D CA -0.298 53.544 54.000 -0.263 0.000 0.845 428 D CB 2.631 43.339 40.800 -0.153 0.000 1.148 428 D HN 0.648 8.818 8.370 -0.333 0.000 0.464 429 Y N 2.353 122.641 120.300 -0.019 0.000 2.863 429 Y HA 0.119 nan 4.550 nan 0.000 0.348 429 Y C -1.461 174.443 175.900 0.006 0.000 1.028 429 Y CA -1.712 56.386 58.100 -0.004 0.000 1.213 429 Y CB 0.081 38.554 38.460 0.021 0.000 1.120 429 Y HN 1.052 9.284 8.280 0.072 0.091 0.598 430 E N 2.501 122.747 120.200 0.078 0.000 2.360 430 E HA -0.146 nan 4.350 nan 0.000 0.269 430 E C -0.056 176.585 176.600 0.069 0.000 1.022 430 E CA 0.289 56.725 56.400 0.059 0.000 0.887 430 E CB 0.723 30.436 29.700 0.021 0.000 0.990 430 E HN -0.186 8.185 8.360 0.019 0.000 0.426 431 E N 1.454 121.693 120.200 0.064 0.000 2.246 431 E HA -0.481 nan 4.350 nan 0.000 0.173 431 E C -0.934 175.700 176.600 0.056 0.000 1.532 431 E CA 1.177 57.610 56.400 0.054 0.000 0.672 431 E CB -1.446 28.279 29.700 0.042 0.000 1.078 431 E HN -0.167 8.231 8.360 0.064 0.000 0.338 432 V N -5.780 114.171 119.914 0.063 0.000 3.234 432 V HA 0.370 nan 4.120 nan 0.000 0.317 432 V C -1.071 175.044 176.094 0.035 0.000 1.081 432 V CA -3.668 58.663 62.300 0.052 0.000 1.037 432 V CB 2.172 34.027 31.823 0.054 0.000 1.148 432 V HN -0.127 8.106 8.190 0.073 0.000 0.453 433 E N 0.786 120.999 120.200 0.022 0.000 2.217 433 E HA 0.054 nan 4.350 nan 0.000 0.279 433 E C 0.892 177.500 176.600 0.013 0.000 1.068 433 E CA -1.056 55.353 56.400 0.016 0.000 0.882 433 E CB 0.371 30.077 29.700 0.010 0.000 1.039 433 E HN 0.175 8.547 8.360 0.019 0.000 0.418 434 A N 9.105 131.935 122.820 0.017 0.000 1.954 434 A HA -0.421 nan 4.320 nan 0.000 0.222 434 A C 1.765 179.353 177.584 0.007 0.000 1.199 434 A CA 3.453 55.500 52.037 0.016 0.000 0.657 434 A CB -0.758 18.253 19.000 0.018 0.000 0.823 434 A HN 0.646 8.808 8.150 0.020 0.000 0.463 435 E N -2.295 117.906 120.200 0.003 0.000 2.085 435 E HA -0.261 nan 4.350 nan 0.000 0.194 435 E C 2.773 179.366 176.600 -0.012 0.000 0.994 435 E CA 3.237 59.634 56.400 -0.004 0.000 0.801 435 E CB -0.432 29.266 29.700 -0.004 0.000 0.743 435 E HN 0.417 8.763 8.360 0.005 0.018 0.453 436 G N -1.565 107.227 108.800 -0.013 0.000 2.404 436 G HA2 -0.239 nan 3.960 nan 0.000 0.215 436 G HA3 -0.239 nan 3.960 nan 0.000 0.215 436 G C 0.564 175.447 174.900 -0.029 0.000 1.174 436 G CA 1.418 46.504 45.100 -0.023 0.000 0.780 436 G HN -0.258 8.028 8.290 -0.007 0.000 0.537 437 A N 1.786 124.597 122.820 -0.015 0.000 1.859 437 A HA -0.391 nan 4.320 nan 0.000 0.217 437 A C 1.875 179.449 177.584 -0.018 0.000 1.198 437 A CA 3.391 55.423 52.037 -0.008 0.000 0.629 437 A CB -0.683 18.327 19.000 0.018 0.000 0.830 437 A HN -0.358 7.788 8.150 -0.006 0.000 0.446 438 T N -4.898 109.649 114.554 -0.012 0.000 2.977 438 T HA -0.284 nan 4.350 nan 0.000 0.271 438 T C 2.379 177.054 174.700 -0.041 0.000 1.105 438 T CA 3.337 65.425 62.100 -0.019 0.000 1.116 438 T CB -0.552 68.311 68.868 -0.009 0.000 0.878 438 T HN 0.190 8.427 8.240 -0.005 0.000 0.509 439 K N 2.569 122.941 120.400 -0.046 0.000 2.029 439 K HA -0.147 nan 4.320 nan 0.000 0.205 439 K C 1.473 178.019 176.600 -0.091 0.000 1.042 439 K CA 2.556 58.807 56.287 -0.061 0.000 0.949 439 K CB -0.126 32.343 32.500 -0.050 0.000 0.740 439 K HN -0.740 7.335 8.250 -0.037 0.153 0.442 440 M N 1.052 120.593 119.600 -0.098 0.000 2.108 440 M HA -0.488 nan 4.480 nan 0.000 0.257 440 M C 2.332 178.513 176.300 -0.198 0.000 1.071 440 M CA 3.840 59.051 55.300 -0.147 0.000 1.093 440 M CB 0.163 32.680 32.600 -0.138 0.000 1.345 440 M HN 0.222 8.465 8.290 -0.077 0.000 0.403 441 M N -2.845 116.663 119.600 -0.153 0.000 2.132 441 M HA -0.266 nan 4.480 nan 0.000 0.263 441 M C 2.202 178.396 176.300 -0.176 0.000 1.065 441 M CA 2.332 57.535 55.300 -0.162 0.000 1.122 441 M CB -1.440 31.116 32.600 -0.073 0.000 1.365 441 M HN 0.048 8.267 8.290 -0.106 0.007 0.411 442 K N 0.632 120.950 120.400 -0.137 0.000 2.057 442 K HA -0.309 nan 4.320 nan 0.000 0.207 442 K C 2.632 179.126 176.600 -0.176 0.000 1.049 442 K CA 3.358 59.562 56.287 -0.138 0.000 0.931 442 K CB -0.473 31.972 32.500 -0.091 0.000 0.714 442 K HN -0.547 7.563 8.250 -0.109 0.074 0.440 443 D N -0.066 120.233 120.400 -0.168 0.000 2.149 443 D HA -0.191 nan 4.640 nan 0.000 0.201 443 D C 2.318 178.473 176.300 -0.240 0.000 0.972 443 D CA 3.074 56.969 54.000 -0.175 0.000 0.835 443 D CB -0.080 40.636 40.800 -0.140 0.000 0.966 443 D HN 0.154 8.433 8.370 -0.151 0.000 0.476 444 L N 0.178 121.230 121.223 -0.286 0.000 2.027 444 L HA -0.257 nan 4.340 nan 0.000 0.206 444 L C 1.318 177.925 176.870 -0.438 0.000 1.074 444 L CA 3.036 57.660 54.840 -0.360 0.000 0.745 444 L CB -0.074 41.733 42.059 -0.421 0.000 0.898 444 L HN 0.026 8.098 8.230 -0.264 0.000 0.433 445 E N -0.870 119.050 120.200 -0.467 0.000 2.097 445 E HA -0.529 nan 4.350 nan 0.000 0.196 445 E C 1.918 178.001 176.600 -0.863 0.000 1.000 445 E CA 3.511 59.447 56.400 -0.775 0.000 0.804 445 E CB -0.138 29.205 29.700 -0.594 0.000 0.740 445 E HN -0.001 8.135 8.360 -0.373 0.000 0.454 446 A N -0.830 121.704 122.820 -0.476 0.000 1.865 446 A HA -0.245 nan 4.320 nan 0.000 0.217 446 A C 2.173 179.590 177.584 -0.279 0.000 1.191 446 A CA 3.034 54.897 52.037 -0.291 0.000 0.623 446 A CB -0.612 18.271 19.000 -0.195 0.000 0.826 446 A HN -0.644 7.264 8.150 -0.395 0.004 0.444 447 L N -2.657 118.358 121.223 -0.347 0.000 2.131 447 L HA -0.310 nan 4.340 nan 0.000 0.210 447 L C 1.514 177.920 176.870 -0.773 0.000 1.092 447 L CA 2.655 57.238 54.840 -0.429 0.000 0.759 447 L CB -0.074 41.731 42.059 -0.423 0.000 0.903 447 L HN -0.383 7.641 8.230 -0.344 0.000 0.435 448 M N -2.769 116.382 119.600 -0.748 0.000 2.132 448 M HA -0.350 nan 4.480 nan 0.000 0.263 448 M C 2.009 178.472 176.300 0.271 0.000 1.065 448 M CA 3.775 58.773 55.300 -0.503 0.000 1.122 448 M CB 0.564 33.024 32.600 -0.234 0.000 1.365 448 M HN -0.336 7.469 8.290 -0.626 0.110 0.411 449 F N -6.036 113.859 119.950 -0.092 0.000 2.811 449 F HA -0.028 nan 4.527 nan 0.000 0.301 449 F C 0.036 175.844 175.800 0.014 0.000 1.151 449 F CA -1.736 56.261 58.000 -0.006 0.000 1.412 449 F CB -0.665 38.324 39.000 -0.018 0.000 1.113 449 F HN -0.544 7.726 8.300 -0.050 0.000 0.579 450 D N -0.360 120.145 120.400 0.175 0.000 2.455 450 D HA -0.081 nan 4.640 nan 0.000 0.241 450 D C 1.948 178.343 176.300 0.158 0.000 1.138 450 D CA 0.339 54.415 54.000 0.125 0.000 0.877 450 D CB 1.403 42.250 40.800 0.079 0.000 1.187 450 D HN -0.928 7.431 8.370 0.095 0.068 0.451 451 R N 5.922 126.487 120.500 0.109 0.000 2.174 451 R HA -0.262 nan 4.340 nan 0.000 0.253 451 R C 0.386 176.747 176.300 0.102 0.000 1.165 451 R CA 2.597 58.750 56.100 0.090 0.000 0.984 451 R CB -0.243 30.093 30.300 0.060 0.000 0.873 451 R HN 0.609 8.933 8.270 0.090 0.000 0.456 452 S N -2.710 113.065 115.700 0.124 0.000 2.556 452 S HA 0.007 nan 4.470 nan 0.000 0.216 452 S C 1.096 175.803 174.600 0.178 0.000 0.970 452 S CA 0.669 58.940 58.200 0.119 0.000 0.912 452 S CB 0.759 64.012 63.200 0.088 0.000 0.790 452 S HN -0.541 8.057 8.310 0.125 -0.213 0.504 453 F N 3.487 123.469 119.950 0.054 0.000 2.031 453 F HA -0.303 nan 4.527 nan 0.000 0.295 453 F C -0.196 175.647 175.800 0.072 0.000 1.133 453 F CA 3.273 61.320 58.000 0.078 0.000 1.188 453 F CB 0.494 39.573 39.000 0.132 0.000 0.974 453 F HN -0.154 8.264 8.300 0.375 0.107 0.473 454 V N -2.867 117.108 119.914 0.101 0.000 2.617 454 V HA -0.426 nan 4.120 nan 0.000 0.304 454 V C 0.405 176.478 176.094 -0.035 0.000 1.040 454 V CA 2.296 64.593 62.300 -0.006 0.000 1.149 454 V CB -1.256 30.598 31.823 0.051 0.000 0.914 454 V HN 0.021 8.357 8.190 0.244 0.000 0.487 455 G N 6.652 115.418 108.800 -0.058 0.000 2.279 455 G HA2 -0.316 nan 3.960 nan 0.000 0.223 455 G HA3 -0.316 nan 3.960 nan 0.000 0.223 455 G C -1.255 173.589 174.900 -0.093 0.000 1.015 455 G CA -0.388 44.685 45.100 -0.044 0.000 0.621 455 G HN 0.435 8.689 8.290 -0.060 0.000 0.506 456 K N 3.233 123.519 120.400 -0.191 0.000 2.436 456 K HA -0.189 nan 4.320 nan 0.000 0.282 456 K C -1.046 175.359 176.600 -0.326 0.000 1.044 456 K CA 0.580 56.675 56.287 -0.320 0.000 1.028 456 K CB 0.701 32.883 32.500 -0.530 0.000 0.919 456 K HN -0.260 7.777 8.250 -0.203 0.091 0.474 457 Q N 5.231 124.885 119.800 -0.243 0.000 2.390 457 Q HA 0.368 nan 4.340 nan 0.000 0.249 457 Q C -0.455 175.464 176.000 -0.135 0.000 0.996 457 Q CA -0.468 55.271 55.803 -0.107 0.000 0.899 457 Q CB 0.150 28.861 28.738 -0.045 0.000 1.216 457 Q HN 0.178 8.317 8.270 -0.217 0.000 0.465 458 F N 6.528 126.511 119.950 0.055 0.000 2.370 458 F HA 0.212 nan 4.527 nan 0.000 0.319 458 F C -0.212 175.616 175.800 0.046 0.000 1.129 458 F CA -0.104 57.927 58.000 0.052 0.000 1.109 458 F CB 1.829 40.860 39.000 0.051 0.000 1.262 458 F HN 0.765 9.237 8.300 0.286 0.000 0.534 459 S N -0.430 115.432 115.700 0.271 0.000 2.537 459 S HA 0.568 nan 4.470 nan 0.000 0.271 459 S C -1.971 172.694 174.600 0.110 0.000 1.148 459 S CA -0.312 57.975 58.200 0.146 0.000 0.868 459 S CB 1.375 64.615 63.200 0.067 0.000 1.115 459 S HN -0.222 8.279 8.310 0.317 0.000 0.461 460 A N 5.243 128.109 122.820 0.076 0.000 2.491 460 A HA 0.323 nan 4.320 nan 0.000 0.293 460 A C -1.786 175.805 177.584 0.011 0.000 1.047 460 A CA 0.260 52.326 52.037 0.048 0.000 0.735 460 A CB 1.902 20.937 19.000 0.059 0.000 1.281 460 A HN 0.666 8.849 8.150 0.054 0.000 0.398 461 N N 1.609 120.307 118.700 -0.003 0.000 1.161 461 N HA -0.371 nan 4.740 nan 0.000 0.111 461 N C -1.238 174.247 175.510 -0.041 0.000 0.779 461 N CA 1.967 55.004 53.050 -0.022 0.000 0.845 461 N CB -0.839 37.632 38.487 -0.027 0.000 1.034 461 N HN 0.531 8.913 8.380 0.004 0.000 0.629 462 D N 3.495 123.861 120.400 -0.056 0.000 2.280 462 D HA -0.267 nan 4.640 nan 0.000 0.206 462 D C -0.670 175.565 176.300 -0.109 0.000 0.988 462 D CA 1.994 55.951 54.000 -0.072 0.000 0.886 462 D CB 0.142 40.899 40.800 -0.073 0.000 0.914 462 D HN 0.372 8.711 8.370 -0.052 0.000 0.473 463 K N -4.018 116.293 120.400 -0.148 0.000 2.385 463 K HA 0.321 nan 4.320 nan 0.000 0.248 463 K C -2.585 173.843 176.600 -0.286 0.000 0.955 463 K CA -1.546 54.579 56.287 -0.270 0.000 0.816 463 K CB 3.101 35.321 32.500 -0.466 0.000 1.250 463 K HN -0.585 7.527 8.250 -0.110 0.072 0.434 464 V N 1.534 121.253 119.914 -0.325 0.000 2.409 464 V HA 0.515 nan 4.120 nan 0.000 0.291 464 V C -1.387 174.546 176.094 -0.267 0.000 1.020 464 V CA -2.016 60.166 62.300 -0.196 0.000 0.848 464 V CB 1.263 33.033 31.823 -0.088 0.000 0.990 464 V HN 0.295 8.294 8.190 -0.318 0.000 0.430 465 Y N 7.782 128.046 120.300 -0.060 0.000 2.353 465 Y HA 0.198 nan 4.550 nan 0.000 0.340 465 Y C -0.870 175.116 175.900 0.144 0.000 0.972 465 Y CA -1.642 56.398 58.100 -0.099 0.000 1.157 465 Y CB 1.596 39.665 38.460 -0.651 0.000 1.157 465 Y HN 0.793 9.056 8.280 0.140 0.101 0.495 466 T N 5.891 120.664 114.554 0.365 0.000 2.744 466 T HA 0.264 nan 4.350 nan 0.000 0.291 466 T C -0.992 173.946 174.700 0.398 0.000 0.957 466 T CA -0.142 62.130 62.100 0.287 0.000 1.002 466 T CB 0.128 69.084 68.868 0.145 0.000 0.919 466 T HN 0.464 8.892 8.240 0.313 0.000 0.468 467 V N 7.765 127.838 119.914 0.265 0.000 2.485 467 V HA -0.150 nan 4.120 nan 0.000 0.287 467 V C -0.263 175.827 176.094 -0.006 0.000 1.022 467 V CA 1.047 63.375 62.300 0.046 0.000 1.067 467 V CB -0.941 30.776 31.823 -0.177 0.000 0.967 467 V HN 0.622 8.913 8.190 0.169 0.000 0.479 468 E N 8.748 128.930 120.200 -0.030 0.000 2.290 468 E HA 0.117 nan 4.350 nan 0.000 0.197 468 E C -0.564 176.030 176.600 -0.009 0.000 0.948 468 E CA 0.587 56.986 56.400 -0.003 0.000 0.895 468 E CB 2.021 31.731 29.700 0.017 0.000 0.865 468 E HN 0.545 8.852 8.360 -0.088 0.000 0.486 469 K N -1.625 118.756 120.400 -0.032 0.000 2.546 469 K HA 0.195 nan 4.320 nan 0.000 0.264 469 K C -2.813 173.808 176.600 0.034 0.000 0.937 469 K CA -0.308 55.984 56.287 0.008 0.000 0.833 469 K CB 3.008 35.514 32.500 0.010 0.000 1.378 469 K HN -0.650 7.547 8.250 -0.089 0.000 0.432 470 A N 3.422 126.314 122.820 0.121 0.000 2.466 470 A HA 0.398 nan 4.320 nan 0.000 0.284 470 A C -2.106 175.641 177.584 0.272 0.000 1.049 470 A CA -0.532 51.648 52.037 0.239 0.000 0.760 470 A CB 2.066 21.340 19.000 0.456 0.000 1.274 470 A HN 0.247 8.457 8.150 0.099 0.000 0.412 471 D N 1.368 121.948 120.400 0.299 0.000 2.692 471 D HA 0.091 nan 4.640 nan 0.000 0.303 471 D C -2.206 174.324 176.300 0.383 0.000 1.278 471 D CA -1.050 53.146 54.000 0.327 0.000 0.852 471 D CB 2.536 43.414 40.800 0.131 0.000 1.375 471 D HN -0.130 8.395 8.370 0.258 0.000 0.453 472 N N -0.727 118.209 118.700 0.393 0.000 2.558 472 N HA 0.147 nan 4.740 nan 0.000 0.242 472 N C -0.285 175.383 175.510 0.264 0.000 0.979 472 N CA -1.220 52.023 53.050 0.320 0.000 0.931 472 N CB 0.801 39.493 38.487 0.342 0.000 1.122 472 N HN -0.017 8.574 8.380 0.352 0.000 0.508 473 F N 7.586 127.597 119.950 0.101 0.000 2.612 473 F HA -0.236 nan 4.527 nan 0.000 0.389 473 F C -2.273 173.564 175.800 0.061 0.000 1.055 473 F CA 1.381 59.422 58.000 0.069 0.000 1.232 473 F CB 1.213 40.237 39.000 0.040 0.000 1.044 473 F HN 0.422 8.958 8.300 0.393 0.000 0.560 474 E N 6.336 126.229 120.200 -0.511 0.000 2.343 474 E HA 0.540 nan 4.350 nan 0.000 0.270 474 E C -2.194 174.057 176.600 -0.582 0.000 0.895 474 E CA -2.075 54.091 56.400 -0.390 0.000 0.767 474 E CB 4.177 33.795 29.700 -0.136 0.000 1.248 474 E HN -0.087 7.895 8.360 -0.630 0.000 0.440 475 Y N 2.996 123.001 120.300 -0.492 0.000 2.421 475 Y HA 0.312 nan 4.550 nan 0.000 0.339 475 Y C -2.208 173.595 175.900 -0.162 0.000 0.996 475 Y CA -0.749 57.133 58.100 -0.363 0.000 1.046 475 Y CB 4.433 42.606 38.460 -0.477 0.000 1.226 475 Y HN 0.663 8.826 8.280 -0.195 0.000 0.445 476 H N 5.803 124.563 119.070 -0.517 0.000 2.641 476 H HA 0.222 nan 4.556 nan 0.000 0.295 476 H C -0.976 174.079 175.328 -0.456 0.000 1.070 476 H CA -1.762 54.093 56.048 -0.322 0.000 1.257 476 H CB 0.060 29.677 29.762 -0.242 0.000 1.393 476 H HN 0.215 8.229 8.280 -0.444 0.000 0.464 477 D N 5.597 125.954 120.400 -0.072 0.000 2.401 477 D HA 0.050 nan 4.640 nan 0.000 0.254 477 D C 0.017 176.313 176.300 -0.006 0.000 1.192 477 D CA -1.249 52.794 54.000 0.071 0.000 0.885 477 D CB 1.555 42.552 40.800 0.329 0.000 1.147 477 D HN 0.269 8.663 8.370 0.040 0.000 0.478 478 P HA -0.110 nan 4.420 nan 0.000 0.221 478 P C -0.130 177.164 177.300 -0.010 0.000 1.150 478 P CA 1.608 64.683 63.100 -0.042 0.000 0.800 478 P CB 0.323 31.982 31.700 -0.069 0.000 0.787 479 V N -0.296 119.624 119.914 0.010 0.000 2.403 479 V HA -0.126 nan 4.120 nan 0.000 0.239 479 V C 1.793 177.896 176.094 0.014 0.000 1.041 479 V CA 2.441 64.745 62.300 0.007 0.000 1.051 479 V CB 0.018 31.841 31.823 0.000 0.000 0.704 479 V HN 0.040 8.402 8.190 0.029 -0.154 0.472 480 D N -1.145 119.270 120.400 0.026 0.000 2.348 480 D HA -0.010 nan 4.640 nan 0.000 0.211 480 D C 1.429 177.746 176.300 0.027 0.000 0.998 480 D CA -0.028 53.984 54.000 0.021 0.000 0.873 480 D CB 0.331 41.138 40.800 0.011 0.000 0.925 480 D HN -0.341 8.298 8.370 0.041 -0.244 0.524 481 G N -0.704 108.117 108.800 0.035 0.000 2.176 481 G HA2 -0.419 nan 3.960 nan 0.000 0.253 481 G HA3 -0.419 nan 3.960 nan 0.000 0.253 481 G C -0.210 174.704 174.900 0.023 0.000 0.979 481 G CA 0.054 45.169 45.100 0.025 0.000 0.641 481 G HN -0.310 7.961 8.290 0.041 0.043 0.530 482 S N 0.681 116.411 115.700 0.049 0.000 2.572 482 S HA -0.065 nan 4.470 nan 0.000 0.279 482 S C -0.537 174.066 174.600 0.005 0.000 1.341 482 S CA 0.430 58.658 58.200 0.047 0.000 1.043 482 S CB 1.198 64.458 63.200 0.100 0.000 0.887 482 S HN -0.426 8.159 8.310 0.063 -0.238 0.516 483 V N 2.433 122.300 119.914 -0.079 0.000 2.459 483 V HA 0.373 nan 4.120 nan 0.000 0.295 483 V C 0.031 176.057 176.094 -0.112 0.000 1.029 483 V CA -0.874 61.277 62.300 -0.248 0.000 0.874 483 V CB 1.321 32.870 31.823 -0.457 0.000 0.985 483 V HN 0.104 8.262 8.190 -0.053 0.000 0.438 484 S N 7.362 123.005 115.700 -0.095 0.000 2.478 484 S HA 0.443 nan 4.470 nan 0.000 0.312 484 S C -1.678 172.879 174.600 -0.071 0.000 1.094 484 S CA -0.952 57.230 58.200 -0.030 0.000 1.081 484 S CB 2.060 65.261 63.200 0.002 0.000 1.007 484 S HN 0.614 8.842 8.310 -0.136 0.000 0.475 485 K N 4.446 124.830 120.400 -0.027 0.000 2.352 485 K HA 0.164 nan 4.320 nan 0.000 0.240 485 K C -1.184 175.439 176.600 0.039 0.000 1.017 485 K CA -1.262 55.020 56.287 -0.010 0.000 0.851 485 K CB 2.322 34.819 32.500 -0.005 0.000 1.261 485 K HN 0.417 8.665 8.250 -0.004 0.000 0.451 486 N N -0.617 118.122 118.700 0.065 0.000 2.716 486 N HA -0.509 nan 4.740 nan 0.000 0.250 486 N C 0.241 175.821 175.510 0.117 0.000 1.033 486 N CA 1.341 54.449 53.050 0.097 0.000 0.727 486 N CB -1.870 36.663 38.487 0.076 0.000 0.950 486 N HN 0.694 9.109 8.380 0.058 0.000 0.541 487 Q N -3.903 115.986 119.800 0.148 0.000 2.466 487 Q HA -0.032 nan 4.340 nan 0.000 0.210 487 Q C -0.172 175.950 176.000 0.204 0.000 0.961 487 Q CA 0.170 56.087 55.803 0.189 0.000 0.953 487 Q CB 0.114 29.019 28.738 0.278 0.000 1.011 487 Q HN 0.263 8.598 8.270 0.134 0.016 0.516 488 G N -3.218 105.701 108.800 0.198 0.000 2.435 488 G HA2 -0.194 nan 3.960 nan 0.000 0.603 488 G HA3 -0.194 nan 3.960 nan 0.000 0.603 488 G C -3.124 171.895 174.900 0.199 0.000 1.496 488 G CA -0.391 44.816 45.100 0.180 0.000 0.896 488 G HN -0.699 7.802 8.290 0.192 -0.095 0.657 489 L N 2.502 123.849 121.223 0.207 0.000 2.278 489 L HA 0.388 nan 4.340 nan 0.000 0.287 489 L C -0.405 176.596 176.870 0.219 0.000 1.072 489 L CA -0.393 54.571 54.840 0.207 0.000 0.819 489 L CB 0.293 42.446 42.059 0.157 0.000 1.176 489 L HN 0.457 8.825 8.230 0.230 0.000 0.435 490 R N 3.866 124.477 120.500 0.186 0.000 2.338 490 R HA 0.616 nan 4.340 nan 0.000 0.317 490 R C -1.233 175.128 176.300 0.101 0.000 0.968 490 R CA -1.053 55.123 56.100 0.126 0.000 0.849 490 R CB 1.595 31.945 30.300 0.083 0.000 1.128 490 R HN 0.792 9.189 8.270 0.211 0.000 0.448 491 L N 5.346 126.584 121.223 0.023 0.000 2.324 491 L HA 0.465 nan 4.340 nan 0.000 0.274 491 L C -1.534 175.053 176.870 -0.472 0.000 1.012 491 L CA -0.596 54.152 54.840 -0.154 0.000 0.859 491 L CB 1.299 43.310 42.059 -0.081 0.000 1.224 491 L HN 0.725 8.984 8.230 0.049 0.000 0.429 492 I N 3.751 124.064 120.570 -0.428 0.000 2.304 492 I HA 0.250 nan 4.170 nan 0.000 0.291 492 I C -1.032 174.786 176.117 -0.499 0.000 1.018 492 I CA -0.305 60.784 61.300 -0.352 0.000 1.260 492 I CB 0.267 38.197 38.000 -0.117 0.000 1.390 492 I HN 0.427 8.468 8.210 -0.281 0.000 0.475 493 F N 6.467 126.471 119.950 0.091 0.000 2.380 493 F HA 0.394 nan 4.527 nan 0.000 0.321 493 F C 0.554 176.426 175.800 0.119 0.000 1.103 493 F CA -0.873 57.207 58.000 0.133 0.000 1.067 493 F CB 0.979 40.112 39.000 0.221 0.000 1.265 493 F HN 0.710 9.017 8.300 0.012 0.000 0.517 494 A N 1.744 124.738 122.820 0.290 0.000 2.121 494 A HA -0.262 nan 4.320 nan 0.000 0.218 494 A C 0.313 177.985 177.584 0.147 0.000 1.154 494 A CA 2.488 54.623 52.037 0.165 0.000 0.679 494 A CB -0.830 18.245 19.000 0.125 0.000 0.795 494 A HN 0.434 8.796 8.150 0.353 0.000 0.458 495 D N -5.384 115.147 120.400 0.218 0.000 2.347 495 D HA -0.114 nan 4.640 nan 0.000 0.213 495 D C 1.422 177.814 176.300 0.154 0.000 0.985 495 D CA -0.573 53.544 54.000 0.196 0.000 0.879 495 D CB -0.211 40.736 40.800 0.245 0.000 0.919 495 D HN -0.301 8.206 8.370 0.307 0.047 0.526 496 G N -0.627 108.260 108.800 0.146 0.000 2.184 496 G HA2 -0.316 nan 3.960 nan 0.000 0.206 496 G HA3 -0.316 nan 3.960 nan 0.000 0.206 496 G C -0.931 174.071 174.900 0.169 0.000 0.995 496 G CA -0.310 44.815 45.100 0.042 0.000 0.651 496 G HN -0.330 8.005 8.290 0.188 0.068 0.511 497 S N 1.683 117.579 115.700 0.326 0.000 2.652 497 S HA 0.378 nan 4.470 nan 0.000 0.270 497 S C -1.148 173.658 174.600 0.343 0.000 1.243 497 S CA 0.620 59.033 58.200 0.355 0.000 0.999 497 S CB 1.185 64.619 63.200 0.389 0.000 0.973 497 S HN -0.530 8.218 8.310 0.381 -0.210 0.544 498 R N -1.158 119.496 120.500 0.257 0.000 2.795 498 R HA 0.903 nan 4.340 nan 0.000 0.268 498 R C -1.754 174.633 176.300 0.144 0.000 1.041 498 R CA -0.667 55.532 56.100 0.165 0.000 0.927 498 R CB 4.775 35.115 30.300 0.068 0.000 1.235 498 R HN 0.274 8.675 8.270 0.218 0.000 0.463 499 I N -0.560 120.069 120.570 0.098 0.000 2.607 499 I HA 0.566 nan 4.170 nan 0.000 0.290 499 I C -2.033 174.116 176.117 0.054 0.000 1.129 499 I CA -0.541 60.785 61.300 0.043 0.000 1.042 499 I CB 4.134 42.185 38.000 0.085 0.000 1.242 499 I HN 0.047 8.290 8.210 0.055 0.000 0.421 500 I N 5.355 125.931 120.570 0.010 0.000 2.569 500 I HA 0.651 nan 4.170 nan 0.000 0.296 500 I C -1.719 174.431 176.117 0.055 0.000 1.028 500 I CA -1.461 59.891 61.300 0.086 0.000 1.082 500 I CB 3.531 41.541 38.000 0.017 0.000 1.264 500 I HN 0.886 8.968 8.210 -0.035 0.107 0.429 501 F N 5.327 125.371 119.950 0.156 0.000 2.507 501 F HA 0.636 nan 4.527 nan 0.000 0.328 501 F C -1.615 174.282 175.800 0.161 0.000 1.136 501 F CA -1.137 56.950 58.000 0.145 0.000 0.930 501 F CB 3.324 42.362 39.000 0.063 0.000 1.166 501 F HN 0.732 9.124 8.300 0.332 0.106 0.436 502 R N 2.592 123.286 120.500 0.324 0.000 2.686 502 R HA 0.534 nan 4.340 nan 0.000 0.286 502 R C -2.319 174.110 176.300 0.215 0.000 0.969 502 R CA -1.445 54.814 56.100 0.266 0.000 0.898 502 R CB 3.960 34.439 30.300 0.299 0.000 1.183 502 R HN 0.843 9.174 8.270 0.282 0.109 0.456 503 L N 2.966 124.289 121.223 0.167 0.000 2.353 503 L HA 0.443 nan 4.340 nan 0.000 0.270 503 L C -1.203 175.733 176.870 0.111 0.000 1.003 503 L CA -1.144 53.775 54.840 0.132 0.000 0.862 503 L CB 1.649 43.770 42.059 0.104 0.000 1.221 503 L HN 0.292 8.616 8.230 0.156 0.000 0.430 504 S N 7.197 122.964 115.700 0.111 0.000 2.466 504 S HA 0.322 nan 4.470 nan 0.000 0.313 504 S C -0.269 174.379 174.600 0.080 0.000 1.078 504 S CA -1.630 56.628 58.200 0.097 0.000 1.115 504 S CB -0.179 63.085 63.200 0.106 0.000 1.006 504 S HN 0.414 8.797 8.310 0.121 0.000 0.487 505 G N 2.006 110.846 108.800 0.067 0.000 2.753 505 G HA2 0.600 nan 3.960 nan 0.000 0.285 505 G HA3 0.600 nan 3.960 nan 0.000 0.285 505 G C -1.404 173.525 174.900 0.047 0.000 1.344 505 G CA -1.042 44.092 45.100 0.056 0.000 1.050 505 G HN -0.147 8.183 8.290 0.066 0.000 0.532 506 T N -4.627 109.951 114.554 0.040 0.000 2.933 506 T HA 0.199 nan 4.350 nan 0.000 0.305 506 T C 0.872 175.589 174.700 0.028 0.000 1.092 506 T CA -0.246 61.874 62.100 0.034 0.000 1.008 506 T CB 2.514 71.401 68.868 0.031 0.000 1.102 506 T HN -0.064 8.093 8.240 0.040 0.107 0.469 507 G N 2.091 110.906 108.800 0.025 0.000 3.581 507 G HA2 0.212 nan 3.960 nan 0.000 0.255 507 G HA3 0.212 nan 3.960 nan 0.000 0.255 507 G C -1.276 173.636 174.900 0.020 0.000 1.121 507 G CA 0.052 45.165 45.100 0.022 0.000 1.739 507 G HN 0.624 8.929 8.290 0.025 0.000 0.646 508 S N 0.946 116.659 115.700 0.020 0.000 3.770 508 S HA 0.126 nan 4.470 nan 0.000 0.238 508 S C -0.180 174.431 174.600 0.018 0.000 1.143 508 S CA 0.827 59.038 58.200 0.018 0.000 0.869 508 S CB 1.839 65.049 63.200 0.018 0.000 1.057 508 S HN -0.066 8.175 8.310 0.022 0.082 0.507 509 A N 0.185 123.018 122.820 0.022 0.000 1.878 509 A HA 0.403 nan 4.320 nan 0.000 0.201 509 A C -0.372 177.227 177.584 0.025 0.000 1.684 509 A CA 0.400 52.451 52.037 0.022 0.000 1.113 509 A CB 2.068 21.082 19.000 0.023 0.000 1.131 509 A HN -0.206 7.958 8.150 0.024 0.000 0.472 510 G N -1.911 106.907 108.800 0.030 0.000 2.430 510 G HA2 0.015 nan 3.960 nan 0.000 0.300 510 G HA3 0.015 nan 3.960 nan 0.000 0.300 510 G C -2.781 172.143 174.900 0.040 0.000 1.330 510 G CA 0.669 45.789 45.100 0.033 0.000 0.813 510 G HN -0.581 7.740 8.290 0.031 -0.013 0.487 511 A N -1.736 121.111 122.820 0.044 0.000 2.304 511 A HA 0.715 nan 4.320 nan 0.000 0.323 511 A C -1.557 176.068 177.584 0.068 0.000 1.195 511 A CA -1.745 50.324 52.037 0.053 0.000 0.826 511 A CB 1.790 20.818 19.000 0.047 0.000 1.184 511 A HN 0.011 8.186 8.150 0.041 0.000 0.496 512 T N 6.138 120.740 114.554 0.079 0.000 2.767 512 T HA 0.572 nan 4.350 nan 0.000 0.284 512 T C -1.407 173.365 174.700 0.119 0.000 0.973 512 T CA -0.003 62.155 62.100 0.096 0.000 0.996 512 T CB 0.647 69.566 68.868 0.085 0.000 0.927 512 T HN 0.539 8.706 8.240 0.075 0.117 0.456 513 I N 6.575 127.239 120.570 0.157 0.000 2.321 513 I HA 0.359 nan 4.170 nan 0.000 0.291 513 I C -1.997 174.247 176.117 0.212 0.000 0.998 513 I CA -0.788 60.630 61.300 0.196 0.000 1.227 513 I CB 1.995 40.114 38.000 0.199 0.000 1.368 513 I HN 0.942 9.255 8.210 0.173 0.000 0.466 514 R N 7.958 128.530 120.500 0.120 0.000 2.275 514 R HA 0.605 nan 4.340 nan 0.000 0.326 514 R C -2.207 173.989 176.300 -0.173 0.000 0.973 514 R CA -1.104 54.955 56.100 -0.069 0.000 0.854 514 R CB 1.369 31.666 30.300 -0.004 0.000 1.156 514 R HN 0.156 8.517 8.270 0.151 0.000 0.487 515 L N 7.435 128.485 121.223 -0.288 0.000 2.298 515 L HA 0.635 nan 4.340 nan 0.000 0.284 515 L C -2.589 173.960 176.870 -0.534 0.000 1.013 515 L CA -0.867 53.708 54.840 -0.442 0.000 0.824 515 L CB 2.894 44.762 42.059 -0.319 0.000 1.221 515 L HN 0.786 8.893 8.230 -0.206 0.000 0.418 516 Y N 6.001 126.099 120.300 -0.337 0.000 2.328 516 Y HA 0.549 nan 4.550 nan 0.000 0.337 516 Y C -0.715 174.950 175.900 -0.393 0.000 0.966 516 Y CA -1.610 56.282 58.100 -0.347 0.000 1.136 516 Y CB 1.880 40.251 38.460 -0.149 0.000 1.170 516 Y HN 0.959 9.091 8.280 -0.063 0.110 0.470 517 I N 4.213 124.542 120.570 -0.401 0.000 2.355 517 I HA 0.295 nan 4.170 nan 0.000 0.288 517 I C -1.790 174.204 176.117 -0.205 0.000 0.999 517 I CA -1.592 59.523 61.300 -0.309 0.000 1.163 517 I CB 0.654 38.423 38.000 -0.386 0.000 1.316 517 I HN 0.711 8.560 8.210 -0.602 0.000 0.454 518 D N 8.429 128.845 120.400 0.027 0.000 2.438 518 D HA 0.306 nan 4.640 nan 0.000 0.257 518 D C -1.410 175.016 176.300 0.210 0.000 1.148 518 D CA -1.641 52.489 54.000 0.217 0.000 0.902 518 D CB 0.818 41.806 40.800 0.313 0.000 1.062 518 D HN 0.109 8.492 8.370 0.021 0.000 0.518 519 S N 7.494 123.326 115.700 0.221 0.000 2.415 519 S HA 0.224 nan 4.470 nan 0.000 0.313 519 S C -1.361 173.453 174.600 0.356 0.000 1.067 519 S CA -0.821 57.534 58.200 0.258 0.000 1.099 519 S CB 0.195 63.504 63.200 0.182 0.000 0.991 519 S HN 0.161 8.603 8.310 0.220 0.000 0.491 520 Y N 8.493 128.934 120.300 0.234 0.000 2.346 520 Y HA -0.044 nan 4.550 nan 0.000 0.330 520 Y C -2.214 173.812 175.900 0.210 0.000 1.178 520 Y CA 1.106 59.327 58.100 0.200 0.000 1.331 520 Y CB 1.304 39.863 38.460 0.165 0.000 1.253 520 Y HN 0.039 8.588 8.280 0.447 0.000 0.529 521 E N 5.959 125.783 120.200 -0.626 0.000 2.278 521 E HA 0.273 nan 4.350 nan 0.000 0.272 521 E C -2.044 174.136 176.600 -0.700 0.000 0.890 521 E CA -1.282 54.882 56.400 -0.394 0.000 0.770 521 E CB 3.127 32.847 29.700 0.033 0.000 1.212 521 E HN 0.438 8.171 8.360 -1.045 0.000 0.415 522 K N 5.368 125.556 120.400 -0.354 0.000 2.373 522 K HA 0.135 nan 4.320 nan 0.000 0.200 522 K C -0.768 175.784 176.600 -0.080 0.000 1.054 522 K CA -1.296 54.886 56.287 -0.174 0.000 1.065 522 K CB 0.735 33.291 32.500 0.093 0.000 0.886 522 K HN 0.314 8.460 8.250 -0.174 0.000 0.546 523 D N 1.030 121.398 120.400 -0.053 0.000 2.371 523 D HA -0.066 nan 4.640 nan 0.000 0.256 523 D C 0.310 176.608 176.300 -0.003 0.000 1.193 523 D CA -0.306 53.678 54.000 -0.026 0.000 0.881 523 D CB 1.094 41.889 40.800 -0.008 0.000 1.143 523 D HN -0.595 8.011 8.370 -0.061 -0.273 0.473 524 N N 6.935 125.611 118.700 -0.040 0.000 2.322 524 N HA -0.349 nan 4.740 nan 0.000 0.189 524 N C 0.113 175.735 175.510 0.187 0.000 1.012 524 N CA 2.564 55.611 53.050 -0.004 0.000 0.880 524 N CB 0.250 38.676 38.487 -0.102 0.000 0.967 524 N HN 0.220 8.555 8.380 -0.075 0.000 0.439 525 A N -3.496 119.385 122.820 0.101 0.000 2.229 525 A HA 0.110 nan 4.320 nan 0.000 0.211 525 A C 0.426 178.058 177.584 0.080 0.000 1.193 525 A CA 0.961 53.054 52.037 0.093 0.000 0.879 525 A CB 0.990 20.023 19.000 0.055 0.000 0.911 525 A HN -0.530 7.845 8.150 0.054 -0.193 0.492 526 K N -1.607 118.836 120.400 0.071 0.000 2.334 526 K HA 0.040 nan 4.320 nan 0.000 0.195 526 K C 2.080 178.777 176.600 0.161 0.000 1.045 526 K CA 1.185 57.510 56.287 0.063 0.000 1.004 526 K CB 0.781 33.291 32.500 0.016 0.000 0.837 526 K HN -0.261 7.896 8.250 0.061 0.130 0.510 527 I N 0.619 121.296 120.570 0.178 0.000 2.248 527 I HA -0.510 nan 4.170 nan 0.000 0.248 527 I C 0.145 176.351 176.117 0.148 0.000 1.107 527 I CA 4.185 65.574 61.300 0.147 0.000 1.373 527 I CB -0.077 38.003 38.000 0.133 0.000 1.055 527 I HN -0.284 8.008 8.210 0.136 0.000 0.418 528 N N -4.528 114.283 118.700 0.185 0.000 2.320 528 N HA 0.036 nan 4.740 nan 0.000 0.237 528 N C -0.528 175.081 175.510 0.165 0.000 1.129 528 N CA -0.276 52.886 53.050 0.187 0.000 0.854 528 N CB -0.491 38.109 38.487 0.189 0.000 1.083 528 N HN 0.000 8.486 8.380 0.177 0.000 0.504 529 Q N -0.440 119.460 119.800 0.167 0.000 2.180 529 Q HA 0.164 nan 4.340 nan 0.000 0.241 529 Q C -1.462 174.585 176.000 0.077 0.000 0.970 529 Q CA -0.934 54.915 55.803 0.076 0.000 0.919 529 Q CB 1.095 29.827 28.738 -0.010 0.000 1.222 529 Q HN -0.837 7.499 8.270 0.244 0.081 0.482 530 D N 0.151 120.560 120.400 0.015 0.000 2.487 530 D HA -0.015 nan 4.640 nan 0.000 0.243 530 D C 0.441 176.711 176.300 -0.050 0.000 1.154 530 D CA -1.426 52.583 54.000 0.015 0.000 0.876 530 D CB 1.084 41.879 40.800 -0.008 0.000 1.161 530 D HN -0.028 8.342 8.370 -0.001 0.000 0.478 531 P HA -0.224 nan 4.420 nan 0.000 0.216 531 P C 1.032 178.284 177.300 -0.081 0.000 1.150 531 P CA 2.450 65.578 63.100 0.046 0.000 0.837 531 P CB 0.187 32.069 31.700 0.302 0.000 0.786 532 Q N -4.192 115.589 119.800 -0.031 0.000 2.226 532 Q HA -0.203 nan 4.340 nan 0.000 0.204 532 Q C 2.644 178.597 176.000 -0.079 0.000 0.975 532 Q CA 2.316 58.099 55.803 -0.033 0.000 0.866 532 Q CB -1.209 27.530 28.738 0.000 0.000 0.915 532 Q HN -0.002 8.501 8.270 0.001 -0.233 0.440 533 V N 1.072 120.918 119.914 -0.114 0.000 2.255 533 V HA -0.328 nan 4.120 nan 0.000 0.243 533 V C 2.608 178.582 176.094 -0.199 0.000 1.038 533 V CA 3.976 66.200 62.300 -0.127 0.000 1.008 533 V CB -0.458 31.292 31.823 -0.121 0.000 0.645 533 V HN -0.672 7.581 8.190 -0.107 -0.126 0.449 534 M N -2.085 117.303 119.600 -0.354 0.000 2.267 534 M HA -0.330 nan 4.480 nan 0.000 0.263 534 M C 2.289 178.349 176.300 -0.401 0.000 1.063 534 M CA 2.185 57.151 55.300 -0.556 0.000 1.090 534 M CB -1.011 30.799 32.600 -1.316 0.000 1.392 534 M HN -0.235 7.836 8.290 -0.365 0.000 0.422 535 L N -4.735 116.319 121.223 -0.281 0.000 2.529 535 L HA 0.040 nan 4.340 nan 0.000 0.223 535 L C 0.881 177.672 176.870 -0.131 0.000 1.113 535 L CA 0.209 54.950 54.840 -0.166 0.000 0.861 535 L CB -0.167 41.818 42.059 -0.124 0.000 1.012 535 L HN 0.036 8.066 8.230 -0.277 0.033 0.461 536 A N 0.581 123.336 122.820 -0.108 0.000 1.892 536 A HA -0.221 nan 4.320 nan 0.000 0.218 536 A C -1.476 176.072 177.584 -0.060 0.000 1.188 536 A CA 5.142 57.137 52.037 -0.070 0.000 0.631 536 A CB -2.878 16.090 19.000 -0.053 0.000 0.822 536 A HN -0.291 7.629 8.150 -0.127 0.154 0.447 537 P HA -0.266 nan 4.420 nan 0.000 0.214 537 P C 1.093 178.353 177.300 -0.067 0.000 1.163 537 P CA 3.569 66.678 63.100 0.014 0.000 0.889 537 P CB -0.546 31.231 31.700 0.127 0.000 0.790 538 L N -4.290 116.835 121.223 -0.162 0.000 2.201 538 L HA -0.263 nan 4.340 nan 0.000 0.212 538 L C 2.233 178.962 176.870 -0.234 0.000 1.105 538 L CA 2.400 57.045 54.840 -0.325 0.000 0.775 538 L CB -0.299 41.527 42.059 -0.387 0.000 0.913 538 L HN -0.128 8.039 8.230 -0.105 0.000 0.440 539 I N -0.348 120.106 120.570 -0.193 0.000 2.500 539 I HA -0.515 nan 4.170 nan 0.000 0.252 539 I C 1.812 177.876 176.117 -0.088 0.000 1.142 539 I CA 4.382 65.567 61.300 -0.191 0.000 1.451 539 I CB -0.279 37.590 38.000 -0.218 0.000 1.093 539 I HN -0.187 7.837 8.210 -0.172 0.083 0.430 540 S N 1.955 117.618 115.700 -0.062 0.000 2.355 540 S HA -0.323 nan 4.470 nan 0.000 0.222 540 S C 2.303 176.883 174.600 -0.034 0.000 1.031 540 S CA 4.056 62.242 58.200 -0.023 0.000 0.993 540 S CB -0.500 62.694 63.200 -0.009 0.000 0.859 540 S HN 0.218 8.484 8.310 -0.073 0.000 0.453 541 I N 2.139 122.660 120.570 -0.083 0.000 2.226 541 I HA -0.455 nan 4.170 nan 0.000 0.245 541 I C 1.473 177.516 176.117 -0.122 0.000 1.100 541 I CA 3.932 65.149 61.300 -0.139 0.000 1.374 541 I CB -0.694 37.146 38.000 -0.268 0.000 1.057 541 I HN 0.259 8.413 8.210 -0.093 0.000 0.413 542 A N -0.209 122.564 122.820 -0.077 0.000 1.969 542 A HA -0.209 nan 4.320 nan 0.000 0.218 542 A C 2.018 179.705 177.584 0.172 0.000 1.169 542 A CA 3.103 55.184 52.037 0.073 0.000 0.635 542 A CB -0.666 18.342 19.000 0.015 0.000 0.810 542 A HN 0.106 8.005 8.150 -0.122 0.179 0.445 543 L N -1.704 119.564 121.223 0.075 0.000 2.109 543 L HA -0.250 nan 4.340 nan 0.000 0.207 543 L C 2.195 179.086 176.870 0.035 0.000 1.086 543 L CA 2.511 57.393 54.840 0.070 0.000 0.760 543 L CB -1.024 41.064 42.059 0.049 0.000 0.910 543 L HN -0.110 8.115 8.230 0.020 0.017 0.437 544 K N -0.699 119.715 120.400 0.023 0.000 2.025 544 K HA -0.205 nan 4.320 nan 0.000 0.207 544 K C 2.562 179.178 176.600 0.027 0.000 1.049 544 K CA 2.894 59.196 56.287 0.025 0.000 0.933 544 K CB -0.249 32.272 32.500 0.034 0.000 0.714 544 K HN -0.161 8.098 8.250 0.015 0.000 0.438 545 V N -2.080 117.838 119.914 0.007 0.000 2.970 545 V HA -0.086 nan 4.120 nan 0.000 0.260 545 V C 0.541 176.597 176.094 -0.062 0.000 1.100 545 V CA 2.064 64.374 62.300 0.017 0.000 1.122 545 V CB 0.052 31.869 31.823 -0.009 0.000 0.721 545 V HN -0.137 8.042 8.190 -0.020 0.000 0.483 546 S N -4.623 111.018 115.700 -0.098 0.000 2.523 546 S HA 0.043 nan 4.470 nan 0.000 0.217 546 S C 0.032 174.545 174.600 -0.145 0.000 0.996 546 S CA 0.281 58.347 58.200 -0.223 0.000 0.921 546 S CB 2.143 65.075 63.200 -0.447 0.000 0.829 546 S HN -0.682 7.579 8.310 -0.029 0.031 0.495 547 Q N -0.931 118.825 119.800 -0.073 0.000 2.451 547 Q HA -0.379 nan 4.340 nan 0.000 0.305 547 Q C 0.297 176.255 176.000 -0.071 0.000 1.345 547 Q CA 0.863 56.631 55.803 -0.057 0.000 0.854 547 Q CB -2.803 25.901 28.738 -0.056 0.000 1.162 547 Q HN -0.210 8.033 8.270 -0.045 0.000 0.440 548 L N 0.196 121.377 121.223 -0.070 0.000 2.056 548 L HA -0.390 nan 4.340 nan 0.000 0.207 548 L C 0.770 177.577 176.870 -0.105 0.000 1.078 548 L CA 3.978 58.755 54.840 -0.106 0.000 0.749 548 L CB -0.125 41.863 42.059 -0.118 0.000 0.901 548 L HN -0.791 7.385 8.230 -0.049 0.024 0.433 549 Q N -0.907 118.854 119.800 -0.066 0.000 2.016 549 Q HA -0.385 nan 4.340 nan 0.000 0.200 549 Q C 2.354 178.334 176.000 -0.034 0.000 0.978 549 Q CA 3.276 59.054 55.803 -0.041 0.000 0.833 549 Q CB -0.979 27.752 28.738 -0.012 0.000 0.895 549 Q HN 0.354 8.594 8.270 -0.050 0.000 0.427 550 E N -1.452 118.729 120.200 -0.031 0.000 2.171 550 E HA -0.284 nan 4.350 nan 0.000 0.197 550 E C 1.921 178.501 176.600 -0.034 0.000 0.997 550 E CA 2.848 59.231 56.400 -0.027 0.000 0.810 550 E CB -0.506 29.178 29.700 -0.026 0.000 0.738 550 E HN 0.300 8.642 8.360 -0.030 0.000 0.467 551 R N -5.803 114.669 120.500 -0.047 0.000 2.308 551 R HA 0.187 nan 4.340 nan 0.000 0.202 551 R C 0.963 177.238 176.300 -0.042 0.000 0.898 551 R CA 0.839 56.911 56.100 -0.046 0.000 1.046 551 R CB 1.310 31.574 30.300 -0.060 0.000 1.026 551 R HN -0.128 7.915 8.270 -0.057 0.193 0.512 552 T N -8.064 106.462 114.554 -0.047 0.000 2.969 552 T HA 0.311 nan 4.350 nan 0.000 0.258 552 T C 0.441 175.131 174.700 -0.018 0.000 0.962 552 T CA -0.387 61.693 62.100 -0.035 0.000 0.903 552 T CB 2.432 71.269 68.868 -0.052 0.000 1.177 552 T HN -0.340 7.867 8.240 -0.055 0.000 0.511 553 G N 3.331 112.118 108.800 -0.021 0.000 2.184 553 G HA2 -0.422 nan 3.960 nan 0.000 0.264 553 G HA3 -0.422 nan 3.960 nan 0.000 0.264 553 G C -0.204 174.701 174.900 0.007 0.000 0.975 553 G CA 0.316 45.413 45.100 -0.006 0.000 0.642 553 G HN 0.333 8.509 8.290 -0.032 0.095 0.536 554 R N 1.425 121.930 120.500 0.009 0.000 2.351 554 R HA 0.019 nan 4.340 nan 0.000 0.318 554 R C 0.272 176.611 176.300 0.066 0.000 1.055 554 R CA -0.248 55.887 56.100 0.058 0.000 0.968 554 R CB -0.514 29.845 30.300 0.099 0.000 0.974 554 R HN -0.594 7.575 8.270 -0.017 0.090 0.439 555 T N -0.298 114.298 114.554 0.069 0.000 3.100 555 T HA 0.046 nan 4.350 nan 0.000 0.253 555 T C -0.041 174.713 174.700 0.089 0.000 1.118 555 T CA 0.534 62.671 62.100 0.062 0.000 1.058 555 T CB 0.260 69.147 68.868 0.032 0.000 0.953 555 T HN 0.100 8.375 8.240 0.057 0.000 0.515 556 A N 0.855 123.751 122.820 0.125 0.000 2.608 556 A HA 0.400 nan 4.320 nan 0.000 0.292 556 A C -3.241 174.365 177.584 0.037 0.000 1.066 556 A CA -1.424 50.657 52.037 0.074 0.000 0.676 556 A CB 0.494 19.476 19.000 -0.032 0.000 1.277 556 A HN -0.482 7.691 8.150 0.143 0.063 0.413 557 P HA 0.192 nan 4.420 nan 0.000 0.279 557 P C -0.963 176.065 177.300 -0.453 0.000 1.239 557 P CA -0.574 62.073 63.100 -0.754 0.000 0.789 557 P CB 1.169 32.157 31.700 -1.187 0.000 0.933 558 T N 2.536 116.869 114.554 -0.370 0.000 2.684 558 T HA -0.166 nan 4.350 nan 0.000 0.267 558 T C 0.437 175.006 174.700 -0.219 0.000 1.036 558 T CA 2.656 64.633 62.100 -0.206 0.000 1.148 558 T CB 0.243 69.035 68.868 -0.127 0.000 0.863 558 T HN 0.093 8.057 8.240 -0.459 0.000 0.436 559 V N 0.962 120.716 119.914 -0.267 0.000 2.638 559 V HA 0.303 nan 4.120 nan 0.000 0.306 559 V C -2.019 173.915 176.094 -0.267 0.000 1.052 559 V CA -1.077 61.095 62.300 -0.214 0.000 0.885 559 V CB 3.155 34.907 31.823 -0.118 0.000 0.999 559 V HN -0.412 7.573 8.190 -0.341 0.000 0.424 560 I N 6.159 126.588 120.570 -0.235 0.000 2.460 560 I HA 0.721 nan 4.170 nan 0.000 0.298 560 I C -0.787 175.296 176.117 -0.057 0.000 0.989 560 I CA -0.662 60.520 61.300 -0.196 0.000 1.173 560 I CB 2.373 40.227 38.000 -0.243 0.000 1.338 560 I HN 0.237 8.323 8.210 -0.206 0.000 0.456 561 T N 0.000 114.575 114.554 0.034 0.000 3.816 561 T HA 0.000 nan 4.350 nan 0.000 0.228 561 T CA 0.000 62.174 62.100 0.123 0.000 1.349 561 T CB 0.000 68.983 68.868 0.192 0.000 0.612 561 T HN 0.000 8.273 8.240 0.055 0.000 0.658