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 2fbp_1_B DATA FIRST_RESID 6 DATA SEQUENCE FDTNIVTLTR FVMEQGRKAR GTGEMTQLLN SLCTAVKAIS TAVRKAGIAX DATA SEQUENCE XXXXXXXXXX XXDQVKKLDV LSNDLVINVL KSSFATCVLV TEEDKNAIIV DATA SEQUENCE EPEKRGKYVV CFDPLDGSSN IDCLVSIGTI FGIYRKNSTD EPSEKDALQP DATA SEQUENCE GRNLVAAGYA LYGSATMLVL AMVNGVNCFM LDPAIGEFIL VDRNVKIKKK DATA SEQUENCE GSIYSINEGY AKEFDPAITE YIQRKKFPPD NSAPYGARYV GSMVADVHRT DATA SEQUENCE LVYGGIFMYP ANKKSPKGKL RLLYECNPMA YVMEKAGGLA TTGKEAVLDI DATA SEQUENCE VPTDIHQRAP IILGSPEDVT ELLEIYQKHA 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.796 175.800 -0.006 0.000 0.967 6 F CA 0.000 57.996 58.000 -0.007 0.000 1.383 6 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 7 D N 4.633 125.106 120.400 0.122 0.000 2.772 7 D HA 0.132 nan 4.640 nan 0.000 0.326 7 D C 0.918 177.243 176.300 0.042 0.000 1.207 7 D CA 0.254 54.299 54.000 0.075 0.000 0.777 7 D CB 0.048 40.884 40.800 0.060 0.000 1.169 7 D HN 0.194 8.620 8.370 0.092 0.000 0.506 8 T N 0.691 115.266 114.554 0.036 0.000 3.000 8 T HA -0.362 nan 4.350 nan 0.000 0.265 8 T C 0.906 175.617 174.700 0.019 0.000 1.166 8 T CA 1.599 63.711 62.100 0.020 0.000 1.118 8 T CB -0.397 68.482 68.868 0.017 0.000 0.777 8 T HN 0.600 8.868 8.240 0.046 0.000 0.598 9 N N 1.042 119.755 118.700 0.022 0.000 3.012 9 N HA 0.211 nan 4.740 nan 0.000 0.270 9 N C -2.013 173.514 175.510 0.027 0.000 1.469 9 N CA -1.160 51.905 53.050 0.024 0.000 0.928 9 N CB 0.032 38.532 38.487 0.023 0.000 1.219 9 N HN -0.289 8.057 8.380 0.022 0.047 0.492 10 I N 2.357 122.944 120.570 0.028 0.000 2.406 10 I HA -0.066 nan 4.170 nan 0.000 0.293 10 I C -0.188 175.960 176.117 0.052 0.000 1.101 10 I CA -0.896 60.424 61.300 0.032 0.000 1.334 10 I CB -1.148 36.866 38.000 0.024 0.000 1.421 10 I HN -0.257 7.967 8.210 0.024 0.000 0.513 11 V N 10.312 130.260 119.914 0.057 0.000 2.258 11 V HA 0.096 nan 4.120 nan 0.000 0.258 11 V C -0.834 175.333 176.094 0.122 0.000 1.121 11 V CA -0.957 61.396 62.300 0.089 0.000 0.942 11 V CB -1.560 30.300 31.823 0.063 0.000 1.170 11 V HN 0.351 8.565 8.190 0.039 0.000 0.487 12 T N 3.057 117.700 114.554 0.148 0.000 2.882 12 T HA 0.566 nan 4.350 nan 0.000 0.287 12 T C 0.975 175.826 174.700 0.251 0.000 0.992 12 T CA -1.745 60.464 62.100 0.182 0.000 1.076 12 T CB 2.128 71.068 68.868 0.119 0.000 0.961 12 T HN -0.469 7.849 8.240 0.131 0.000 0.490 13 L N 3.960 125.348 121.223 0.275 0.000 2.040 13 L HA -0.439 nan 4.340 nan 0.000 0.228 13 L C 0.863 177.804 176.870 0.117 0.000 1.092 13 L CA 3.874 58.746 54.840 0.053 0.000 0.805 13 L CB -0.323 41.430 42.059 -0.510 0.000 0.905 13 L HN 0.323 8.749 8.230 0.326 0.000 0.443 14 T N -3.418 111.170 114.554 0.056 0.000 3.052 14 T HA -0.316 nan 4.350 nan 0.000 0.270 14 T C 0.673 175.415 174.700 0.070 0.000 1.147 14 T CA 2.674 64.798 62.100 0.041 0.000 1.089 14 T CB -1.214 67.672 68.868 0.029 0.000 0.875 14 T HN 0.497 8.757 8.240 0.048 0.009 0.541 15 R N -1.232 119.343 120.500 0.126 0.000 2.551 15 R HA 0.199 nan 4.340 nan 0.000 0.202 15 R C 0.821 177.226 176.300 0.175 0.000 0.861 15 R CA 0.365 56.534 56.100 0.115 0.000 1.018 15 R CB -0.252 30.108 30.300 0.099 0.000 1.435 15 R HN -0.383 7.801 8.270 0.174 0.191 0.659 16 F N 3.037 123.038 119.950 0.086 0.000 2.063 16 F HA -0.470 nan 4.527 nan 0.000 0.298 16 F C 1.436 177.285 175.800 0.082 0.000 1.109 16 F CA 4.454 62.519 58.000 0.108 0.000 1.212 16 F CB 0.149 39.280 39.000 0.218 0.000 0.973 16 F HN -0.023 8.515 8.300 0.397 0.000 0.480 17 V N -1.049 119.051 119.914 0.310 0.000 2.287 17 V HA -0.561 nan 4.120 nan 0.000 0.248 17 V C 1.810 177.893 176.094 -0.018 0.000 1.053 17 V CA 4.669 67.035 62.300 0.110 0.000 1.027 17 V CB -0.805 31.095 31.823 0.128 0.000 0.646 17 V HN 0.440 8.896 8.190 0.443 0.000 0.447 18 M N -0.270 119.340 119.600 0.016 0.000 2.082 18 M HA -0.571 nan 4.480 nan 0.000 0.258 18 M C 1.490 177.762 176.300 -0.046 0.000 1.069 18 M CA 3.969 59.266 55.300 -0.005 0.000 1.102 18 M CB -0.311 32.299 32.600 0.016 0.000 1.336 18 M HN -0.152 8.174 8.290 0.060 0.000 0.404 19 E N -3.120 117.032 120.200 -0.079 0.000 2.160 19 E HA -0.385 nan 4.350 nan 0.000 0.195 19 E C 2.791 179.303 176.600 -0.146 0.000 0.991 19 E CA 3.088 59.424 56.400 -0.106 0.000 0.810 19 E CB -0.372 29.259 29.700 -0.115 0.000 0.742 19 E HN -0.031 8.216 8.360 -0.056 0.079 0.466 20 Q N -2.598 117.074 119.800 -0.214 0.000 2.212 20 Q HA -0.017 nan 4.340 nan 0.000 0.199 20 Q C 2.719 178.672 176.000 -0.077 0.000 0.950 20 Q CA 1.326 57.035 55.803 -0.157 0.000 0.863 20 Q CB -0.268 28.366 28.738 -0.174 0.000 0.944 20 Q HN -0.497 7.595 8.270 -0.265 0.019 0.465 21 G N 0.323 109.089 108.800 -0.056 0.000 2.534 21 G HA2 -0.246 nan 3.960 nan 0.000 0.217 21 G HA3 -0.246 nan 3.960 nan 0.000 0.217 21 G C 0.920 175.818 174.900 -0.003 0.000 1.128 21 G CA 1.129 46.221 45.100 -0.013 0.000 0.784 21 G HN 0.530 8.691 8.290 -0.076 0.083 0.542 22 R N 0.861 121.354 120.500 -0.012 0.000 2.237 22 R HA 0.008 nan 4.340 nan 0.000 0.195 22 R C 1.000 177.295 176.300 -0.008 0.000 0.956 22 R CA -0.326 55.771 56.100 -0.005 0.000 1.029 22 R CB 0.268 30.564 30.300 -0.005 0.000 0.972 22 R HN -0.072 8.182 8.270 -0.025 0.000 0.493 23 K N 1.031 121.420 120.400 -0.019 0.000 3.277 23 K HA -0.026 nan 4.320 nan 0.000 0.280 23 K C -1.181 175.413 176.600 -0.010 0.000 1.182 23 K CA 0.236 56.512 56.287 -0.018 0.000 1.219 23 K CB -1.486 30.994 32.500 -0.034 0.000 1.373 23 K HN -0.379 7.853 8.250 -0.029 0.000 0.392 24 A N -0.848 121.972 122.820 0.000 0.000 2.400 24 A HA 0.013 nan 4.320 nan 0.000 0.202 24 A C -0.738 176.857 177.584 0.018 0.000 2.711 24 A CA 0.203 52.246 52.037 0.010 0.000 1.407 24 A CB 0.831 19.840 19.000 0.015 0.000 0.690 24 A HN -0.190 7.868 8.150 0.001 0.092 0.481 25 R N -1.445 119.065 120.500 0.017 0.000 4.062 25 R HA -0.341 nan 4.340 nan 0.000 0.218 25 R C 0.308 176.627 176.300 0.031 0.000 0.267 25 R CA 1.163 57.275 56.100 0.020 0.000 0.825 25 R CB -1.553 28.756 30.300 0.016 0.000 0.993 25 R HN -0.252 8.026 8.270 0.013 0.000 0.561 26 G N -0.819 108.000 108.800 0.033 0.000 2.596 26 G HA2 -0.338 nan 3.960 nan 0.000 0.304 26 G HA3 -0.338 nan 3.960 nan 0.000 0.304 26 G C -1.301 173.627 174.900 0.046 0.000 1.189 26 G CA 0.653 45.779 45.100 0.043 0.000 0.986 26 G HN 0.209 8.515 8.290 0.026 0.000 0.548 27 T N -1.199 113.397 114.554 0.070 0.000 3.041 27 T HA 0.187 nan 4.350 nan 0.000 0.321 27 T C 1.259 176.022 174.700 0.104 0.000 1.184 27 T CA -1.560 60.585 62.100 0.076 0.000 1.050 27 T CB 2.281 71.197 68.868 0.079 0.000 1.159 27 T HN -0.001 8.293 8.240 0.090 0.000 0.469 28 G N 2.661 111.506 108.800 0.075 0.000 2.808 28 G HA2 -0.395 nan 3.960 nan 0.000 0.225 28 G HA3 -0.395 nan 3.960 nan 0.000 0.225 28 G C 0.644 175.594 174.900 0.083 0.000 1.210 28 G CA 1.943 47.080 45.100 0.063 0.000 0.777 28 G HN 0.455 8.780 8.290 0.058 0.000 0.640 29 E N 0.261 120.534 120.200 0.122 0.000 2.999 29 E HA -0.603 nan 4.350 nan 0.000 0.206 29 E C 1.705 178.316 176.600 0.018 0.000 0.958 29 E CA 2.526 59.033 56.400 0.179 0.000 1.768 29 E CB -0.528 29.428 29.700 0.426 0.000 1.687 29 E HN -0.232 8.346 8.360 0.113 -0.150 0.406 30 M N -0.615 118.945 119.600 -0.066 0.000 2.204 30 M HA -0.398 nan 4.480 nan 0.000 0.255 30 M C 1.813 178.019 176.300 -0.157 0.000 1.073 30 M CA 2.937 58.078 55.300 -0.263 0.000 1.084 30 M CB -0.667 31.878 32.600 -0.091 0.000 1.289 30 M HN 0.105 8.455 8.290 0.129 0.018 0.419 31 T N 0.717 115.232 114.554 -0.064 0.000 2.708 31 T HA -0.363 nan 4.350 nan 0.000 0.266 31 T C 2.168 176.833 174.700 -0.058 0.000 1.037 31 T CA 4.911 66.981 62.100 -0.051 0.000 1.146 31 T CB -0.690 68.170 68.868 -0.012 0.000 0.865 31 T HN -0.297 7.927 8.240 -0.026 0.000 0.435 32 Q N 1.636 121.420 119.800 -0.028 0.000 2.181 32 Q HA -0.306 nan 4.340 nan 0.000 0.205 32 Q C 2.253 178.224 176.000 -0.048 0.000 0.980 32 Q CA 3.192 58.989 55.803 -0.010 0.000 0.862 32 Q CB -0.608 28.158 28.738 0.046 0.000 0.905 32 Q HN -0.333 7.845 8.270 -0.009 0.086 0.429 33 L N 0.444 121.611 121.223 -0.094 0.000 1.973 33 L HA -0.319 nan 4.340 nan 0.000 0.208 33 L C 1.490 178.250 176.870 -0.184 0.000 1.073 33 L CA 3.270 58.025 54.840 -0.141 0.000 0.746 33 L CB -0.066 41.856 42.059 -0.230 0.000 0.891 33 L HN 0.219 8.262 8.230 -0.109 0.122 0.433 34 L N -1.962 119.139 121.223 -0.204 0.000 2.013 34 L HA -0.589 nan 4.340 nan 0.000 0.212 34 L C 2.182 178.901 176.870 -0.252 0.000 1.073 34 L CA 3.567 58.252 54.840 -0.260 0.000 0.753 34 L CB -0.750 41.179 42.059 -0.218 0.000 0.890 34 L HN 0.231 8.349 8.230 -0.188 0.000 0.432 35 N N -1.171 117.431 118.700 -0.163 0.000 2.069 35 N HA -0.410 nan 4.740 nan 0.000 0.191 35 N C 2.191 177.631 175.510 -0.117 0.000 1.031 35 N CA 3.833 56.812 53.050 -0.118 0.000 0.852 35 N CB 0.099 38.548 38.487 -0.063 0.000 1.018 35 N HN 0.310 8.596 8.380 -0.134 0.014 0.423 36 S N 0.946 116.578 115.700 -0.114 0.000 2.368 36 S HA -0.286 nan 4.470 nan 0.000 0.225 36 S C 1.832 176.337 174.600 -0.159 0.000 1.030 36 S CA 3.876 62.014 58.200 -0.104 0.000 0.999 36 S CB -0.168 62.981 63.200 -0.086 0.000 0.844 36 S HN -0.525 7.719 8.310 -0.109 0.000 0.459 37 L N 1.475 122.553 121.223 -0.242 0.000 2.079 37 L HA -0.330 nan 4.340 nan 0.000 0.210 37 L C 1.061 177.754 176.870 -0.293 0.000 1.081 37 L CA 3.333 57.970 54.840 -0.338 0.000 0.752 37 L CB -0.152 41.577 42.059 -0.551 0.000 0.896 37 L HN -0.166 7.847 8.230 -0.246 0.070 0.433 38 C N -1.795 117.346 119.300 -0.265 0.000 2.432 38 C HA -0.443 nan 4.460 nan 0.000 0.277 38 C C 2.020 177.005 174.990 -0.008 0.000 1.249 38 C CA 4.673 63.589 59.018 -0.170 0.000 1.725 38 C CB -2.192 25.482 27.740 -0.111 0.000 2.028 38 C HN 0.333 8.301 8.230 -0.269 0.101 0.477 39 T N 1.455 115.994 114.554 -0.024 0.000 2.699 39 T HA -0.411 nan 4.350 nan 0.000 0.268 39 T C 1.657 176.356 174.700 -0.002 0.000 1.036 39 T CA 5.276 67.377 62.100 0.001 0.000 1.147 39 T CB -0.520 68.336 68.868 -0.020 0.000 0.862 39 T HN -0.295 7.912 8.240 -0.056 0.000 0.446 40 A N 0.663 123.456 122.820 -0.044 0.000 1.898 40 A HA -0.181 nan 4.320 nan 0.000 0.216 40 A C 1.728 179.313 177.584 0.002 0.000 1.181 40 A CA 3.217 55.226 52.037 -0.048 0.000 0.620 40 A CB -0.822 18.113 19.000 -0.108 0.000 0.819 40 A HN -0.526 7.557 8.150 -0.080 0.019 0.442 41 V N -0.423 119.500 119.914 0.015 0.000 2.332 41 V HA -0.585 nan 4.120 nan 0.000 0.248 41 V C 2.017 178.248 176.094 0.228 0.000 1.055 41 V CA 4.785 67.170 62.300 0.143 0.000 1.038 41 V CB -1.146 30.701 31.823 0.040 0.000 0.651 41 V HN -0.057 8.100 8.190 -0.054 0.000 0.450 42 K N -1.409 119.102 120.400 0.185 0.000 2.032 42 K HA -0.433 nan 4.320 nan 0.000 0.209 42 K C 1.970 178.614 176.600 0.072 0.000 1.048 42 K CA 3.720 60.091 56.287 0.139 0.000 0.927 42 K CB -0.394 32.151 32.500 0.074 0.000 0.712 42 K HN -0.065 8.194 8.250 0.155 0.084 0.441 43 A N -0.930 121.914 122.820 0.040 0.000 1.948 43 A HA -0.253 nan 4.320 nan 0.000 0.220 43 A C 2.381 179.950 177.584 -0.026 0.000 1.177 43 A CA 2.969 55.006 52.037 0.000 0.000 0.636 43 A CB -0.827 18.167 19.000 -0.011 0.000 0.815 43 A HN -0.059 8.051 8.150 0.044 0.065 0.449 44 I N -2.210 118.343 120.570 -0.029 0.000 2.235 44 I HA -0.522 nan 4.170 nan 0.000 0.241 44 I C 1.471 177.441 176.117 -0.244 0.000 1.085 44 I CA 3.650 64.863 61.300 -0.144 0.000 1.378 44 I CB -0.031 37.877 38.000 -0.153 0.000 1.076 44 I HN 0.011 8.111 8.210 0.028 0.127 0.415 45 S N -0.545 115.059 115.700 -0.161 0.000 2.393 45 S HA -0.578 nan 4.470 nan 0.000 0.234 45 S C 2.265 176.833 174.600 -0.054 0.000 1.064 45 S CA 4.204 62.380 58.200 -0.039 0.000 1.088 45 S CB -0.102 63.259 63.200 0.269 0.000 0.939 45 S HN -0.122 8.233 8.310 0.076 0.000 0.448 46 T N 2.757 117.291 114.554 -0.033 0.000 2.643 46 T HA -0.317 nan 4.350 nan 0.000 0.264 46 T C 1.431 176.095 174.700 -0.059 0.000 1.045 46 T CA 4.689 66.766 62.100 -0.038 0.000 1.155 46 T CB -0.238 68.614 68.868 -0.027 0.000 0.863 46 T HN -0.524 7.709 8.240 -0.011 0.000 0.420 47 A N -0.290 122.486 122.820 -0.073 0.000 2.125 47 A HA -0.134 nan 4.320 nan 0.000 0.219 47 A C 1.567 179.101 177.584 -0.083 0.000 1.156 47 A CA 2.688 54.684 52.037 -0.069 0.000 0.671 47 A CB -0.558 18.401 19.000 -0.067 0.000 0.794 47 A HN -0.556 7.547 8.150 -0.078 0.000 0.459 48 V N -3.001 116.839 119.914 -0.123 0.000 2.649 48 V HA -0.244 nan 4.120 nan 0.000 0.248 48 V C 2.215 178.264 176.094 -0.076 0.000 1.054 48 V CA 3.055 65.278 62.300 -0.128 0.000 1.073 48 V CB -0.542 31.140 31.823 -0.235 0.000 0.699 48 V HN -0.114 7.948 8.190 -0.151 0.037 0.463 49 R N -0.441 120.025 120.500 -0.057 0.000 2.316 49 R HA -0.164 nan 4.340 nan 0.000 0.202 49 R C 0.918 177.203 176.300 -0.026 0.000 1.029 49 R CA 1.842 57.925 56.100 -0.028 0.000 1.018 49 R CB 0.012 30.303 30.300 -0.015 0.000 0.888 49 R HN -0.199 7.921 8.270 -0.065 0.111 0.471 50 K N -1.894 118.487 120.400 -0.032 0.000 2.726 50 K HA 0.157 nan 4.320 nan 0.000 0.209 50 K C -1.896 174.687 176.600 -0.028 0.000 1.082 50 K CA -1.367 54.904 56.287 -0.026 0.000 1.081 50 K CB 0.760 33.245 32.500 -0.025 0.000 0.830 50 K HN -0.571 7.492 8.250 -0.042 0.162 0.470 51 A N -0.388 122.412 122.820 -0.032 0.000 2.550 51 A HA -0.162 nan 4.320 nan 0.000 0.263 51 A C 0.342 177.912 177.584 -0.024 0.000 1.065 51 A CA 1.784 53.801 52.037 -0.033 0.000 0.786 51 A CB -1.154 17.827 19.000 -0.032 0.000 0.985 51 A HN -0.411 7.616 8.150 -0.032 0.104 0.518 52 G N 3.417 112.203 108.800 -0.023 0.000 2.298 52 G HA2 -0.407 nan 3.960 nan 0.000 0.287 52 G HA3 -0.407 nan 3.960 nan 0.000 0.287 52 G C -0.759 174.132 174.900 -0.014 0.000 1.075 52 G CA 0.262 45.351 45.100 -0.017 0.000 0.960 52 G HN 0.171 8.444 8.290 -0.027 0.000 0.502 53 I N -0.584 119.976 120.570 -0.016 0.000 2.495 53 I HA 0.185 nan 4.170 nan 0.000 0.277 53 I C 0.492 176.600 176.117 -0.014 0.000 1.045 53 I CA 0.135 61.427 61.300 -0.013 0.000 1.135 53 I CB 0.691 38.683 38.000 -0.013 0.000 1.241 53 I HN -0.216 7.968 8.210 -0.019 0.014 0.469 69 Q N -0.691 119.111 119.800 0.003 0.000 2.392 69 Q HA 0.105 nan 4.340 nan 0.000 0.219 69 Q C 1.929 177.931 176.000 0.003 0.000 0.895 69 Q CA -0.091 55.714 55.803 0.002 0.000 0.929 69 Q CB 0.414 29.153 28.738 0.002 0.000 1.077 69 Q HN 0.061 8.334 8.270 0.004 0.000 0.532 70 V N 1.316 121.234 119.914 0.006 0.000 2.403 70 V HA -0.486 nan 4.120 nan 0.000 0.252 70 V C 0.794 176.892 176.094 0.008 0.000 1.152 70 V CA 2.887 65.192 62.300 0.008 0.000 1.099 70 V CB 0.149 31.977 31.823 0.009 0.000 0.913 70 V HN -0.283 8.238 8.190 0.006 -0.327 0.461 71 K N -4.633 115.771 120.400 0.005 0.000 3.098 71 K HA -0.027 nan 4.320 nan 0.000 0.258 71 K C 0.729 177.329 176.600 0.000 0.000 2.409 71 K CA 0.024 56.314 56.287 0.005 0.000 1.470 71 K CB 0.580 33.086 32.500 0.009 0.000 2.673 71 K HN -0.339 7.847 8.250 0.003 0.066 0.463 72 K N -0.745 119.656 120.400 0.001 0.000 8.035 72 K HA -0.421 nan 4.320 nan 0.000 0.472 72 K C 1.241 177.838 176.600 -0.006 0.000 0.607 72 K CA 2.840 59.127 56.287 -0.001 0.000 1.544 72 K CB -1.024 31.474 32.500 -0.003 0.000 1.045 72 K HN -0.059 8.193 8.250 0.004 0.000 0.979 73 L N -1.673 119.542 121.223 -0.013 0.000 2.011 73 L HA -0.432 nan 4.340 nan 0.000 0.225 73 L C 0.606 177.464 176.870 -0.020 0.000 1.084 73 L CA 3.572 58.398 54.840 -0.023 0.000 0.791 73 L CB -0.358 41.681 42.059 -0.034 0.000 0.898 73 L HN 0.014 8.188 8.230 -0.012 0.048 0.440 74 D N -3.236 117.157 120.400 -0.013 0.000 2.097 74 D HA -0.360 nan 4.640 nan 0.000 0.195 74 D C 2.204 178.511 176.300 0.011 0.000 0.989 74 D CA 2.922 56.921 54.000 -0.002 0.000 0.827 74 D CB -1.209 39.594 40.800 0.005 0.000 0.966 74 D HN 0.013 8.365 8.370 -0.011 0.012 0.456 75 V N 0.448 120.369 119.914 0.011 0.000 2.515 75 V HA -0.250 nan 4.120 nan 0.000 0.250 75 V C 1.476 177.581 176.094 0.019 0.000 1.058 75 V CA 2.869 65.181 62.300 0.019 0.000 1.064 75 V CB -0.601 31.231 31.823 0.015 0.000 0.675 75 V HN -0.515 7.591 8.190 0.006 0.087 0.461 76 L N -1.255 119.972 121.223 0.007 0.000 2.141 76 L HA -0.313 nan 4.340 nan 0.000 0.209 76 L C 1.543 178.413 176.870 -0.000 0.000 1.094 76 L CA 3.542 58.383 54.840 0.002 0.000 0.763 76 L CB -0.052 42.003 42.059 -0.007 0.000 0.908 76 L HN 0.165 8.379 8.230 0.002 0.018 0.437 77 S N -0.389 115.310 115.700 -0.001 0.000 2.446 77 S HA -0.281 nan 4.470 nan 0.000 0.225 77 S C 1.972 176.582 174.600 0.017 0.000 1.016 77 S CA 3.073 61.270 58.200 -0.006 0.000 0.943 77 S CB -0.648 62.542 63.200 -0.018 0.000 0.786 77 S HN 0.086 8.286 8.310 -0.003 0.108 0.508 78 N N 2.436 121.171 118.700 0.058 0.000 2.166 78 N HA -0.325 nan 4.740 nan 0.000 0.186 78 N C 1.674 177.240 175.510 0.093 0.000 1.019 78 N CA 3.195 56.326 53.050 0.135 0.000 0.856 78 N CB 0.064 38.636 38.487 0.142 0.000 0.993 78 N HN 0.026 8.334 8.380 0.047 0.100 0.426 79 D N 0.078 120.506 120.400 0.048 0.000 2.104 79 D HA -0.325 nan 4.640 nan 0.000 0.194 79 D C 2.033 178.333 176.300 0.000 0.000 0.994 79 D CA 3.686 57.702 54.000 0.027 0.000 0.830 79 D CB -0.004 40.804 40.800 0.014 0.000 0.959 79 D HN -0.345 8.056 8.370 0.041 -0.006 0.452 80 L N -0.553 120.660 121.223 -0.017 0.000 2.017 80 L HA -0.263 nan 4.340 nan 0.000 0.208 80 L C 1.635 178.450 176.870 -0.091 0.000 1.073 80 L CA 3.342 58.155 54.840 -0.045 0.000 0.745 80 L CB 0.033 42.067 42.059 -0.042 0.000 0.894 80 L HN -0.686 7.457 8.230 -0.008 0.082 0.432 81 V N -0.808 119.024 119.914 -0.137 0.000 2.490 81 V HA -0.488 nan 4.120 nan 0.000 0.250 81 V C 2.328 178.232 176.094 -0.317 0.000 1.061 81 V CA 4.283 66.397 62.300 -0.311 0.000 1.064 81 V CB -1.028 30.454 31.823 -0.568 0.000 0.670 81 V HN -0.071 7.983 8.190 -0.089 0.082 0.461 82 I N -0.159 120.324 120.570 -0.145 0.000 2.094 82 I HA -0.610 nan 4.170 nan 0.000 0.234 82 I C 1.457 177.538 176.117 -0.060 0.000 1.063 82 I CA 4.516 65.793 61.300 -0.039 0.000 1.328 82 I CB -0.076 37.973 38.000 0.081 0.000 1.058 82 I HN -0.288 7.848 8.210 -0.074 0.029 0.400 83 N N -0.795 117.876 118.700 -0.048 0.000 2.166 83 N HA -0.321 nan 4.740 nan 0.000 0.186 83 N C 2.069 177.534 175.510 -0.074 0.000 1.019 83 N CA 2.788 55.807 53.050 -0.052 0.000 0.856 83 N CB -0.321 38.142 38.487 -0.040 0.000 0.993 83 N HN -0.660 7.698 8.380 -0.036 0.000 0.426 84 V N 0.040 119.903 119.914 -0.086 0.000 2.407 84 V HA -0.234 nan 4.120 nan 0.000 0.248 84 V C 2.386 178.413 176.094 -0.111 0.000 1.055 84 V CA 3.593 65.839 62.300 -0.090 0.000 1.049 84 V CB -0.321 31.444 31.823 -0.096 0.000 0.662 84 V HN -0.439 7.690 8.190 -0.090 0.008 0.455 85 L N -1.318 119.819 121.223 -0.143 0.000 2.141 85 L HA -0.310 nan 4.340 nan 0.000 0.209 85 L C 1.452 178.265 176.870 -0.095 0.000 1.094 85 L CA 2.853 57.614 54.840 -0.132 0.000 0.763 85 L CB -0.151 41.816 42.059 -0.154 0.000 0.908 85 L HN -0.081 7.862 8.230 -0.166 0.187 0.437 86 K N -2.729 117.614 120.400 -0.096 0.000 2.665 86 K HA -0.135 nan 4.320 nan 0.000 0.214 86 K C 0.154 176.622 176.600 -0.220 0.000 1.032 86 K CA 1.386 57.598 56.287 -0.124 0.000 1.198 86 K CB -1.071 31.378 32.500 -0.084 0.000 0.941 86 K HN 0.231 8.189 8.250 -0.092 0.238 0.491 87 S N -2.928 112.655 115.700 -0.195 0.000 2.820 87 S HA 0.138 nan 4.470 nan 0.000 0.265 87 S C -1.136 173.458 174.600 -0.009 0.000 1.043 87 S CA -0.135 57.929 58.200 -0.227 0.000 1.245 87 S CB 1.589 64.751 63.200 -0.064 0.000 1.187 87 S HN -0.471 7.593 8.310 -0.127 0.170 0.673 88 S N 2.964 118.668 115.700 0.005 0.000 2.448 88 S HA 0.047 nan 4.470 nan 0.000 0.279 88 S C -0.447 174.247 174.600 0.158 0.000 1.195 88 S CA 0.079 58.356 58.200 0.128 0.000 1.051 88 S CB 0.600 63.818 63.200 0.030 0.000 0.948 88 S HN -0.653 7.619 8.310 -0.064 0.000 0.493 89 F N 5.633 125.597 119.950 0.024 0.000 2.494 89 F HA -0.105 nan 4.527 nan 0.000 0.351 89 F C -0.637 175.203 175.800 0.066 0.000 1.205 89 F CA -0.284 57.739 58.000 0.038 0.000 1.125 89 F CB -1.170 37.848 39.000 0.030 0.000 1.268 89 F HN 0.207 8.966 8.300 0.766 0.000 0.593 90 A N 3.368 126.277 122.820 0.149 0.000 2.577 90 A HA 0.141 nan 4.320 nan 0.000 0.195 90 A C -1.692 176.042 177.584 0.251 0.000 1.407 90 A CA 0.246 52.416 52.037 0.223 0.000 1.056 90 A CB 1.956 21.073 19.000 0.195 0.000 1.165 90 A HN 0.253 8.431 8.150 0.048 0.001 0.472 91 T N -4.021 110.609 114.554 0.126 0.000 2.856 91 T HA 0.577 nan 4.350 nan 0.000 0.283 91 T C 0.429 175.178 174.700 0.082 0.000 1.008 91 T CA -1.905 60.271 62.100 0.127 0.000 0.997 91 T CB 2.221 71.139 68.868 0.083 0.000 0.992 91 T HN -0.482 7.791 8.240 0.054 0.000 0.454 92 C N 2.165 121.522 119.300 0.094 0.000 2.469 92 C HA 0.465 nan 4.460 nan 0.000 0.309 92 C C -1.307 173.725 174.990 0.070 0.000 1.385 92 C CA 0.560 59.615 59.018 0.062 0.000 1.890 92 C CB 1.337 29.107 27.740 0.050 0.000 2.245 92 C HN 0.979 9.170 8.230 0.131 0.118 0.530 93 V N -2.040 117.935 119.914 0.101 0.000 2.969 93 V HA 0.646 nan 4.120 nan 0.000 0.304 93 V C -2.809 173.375 176.094 0.149 0.000 1.192 93 V CA -0.823 61.541 62.300 0.105 0.000 0.962 93 V CB 3.497 35.372 31.823 0.087 0.000 1.045 93 V HN -0.825 7.442 8.190 0.128 0.000 0.428 94 L N 5.768 127.084 121.223 0.155 0.000 2.331 94 L HA 0.836 nan 4.340 nan 0.000 0.275 94 L C -1.425 175.531 176.870 0.145 0.000 1.022 94 L CA -1.480 53.492 54.840 0.219 0.000 0.812 94 L CB 2.206 44.440 42.059 0.293 0.000 1.257 94 L HN 0.463 8.768 8.230 0.125 0.000 0.435 95 V N 2.667 122.632 119.914 0.085 0.000 2.380 95 V HA 0.288 nan 4.120 nan 0.000 0.286 95 V C -1.027 174.905 176.094 -0.271 0.000 1.015 95 V CA -0.580 61.738 62.300 0.031 0.000 0.834 95 V CB 2.477 34.400 31.823 0.166 0.000 1.009 95 V HN 0.602 8.766 8.190 0.128 0.103 0.428 96 T N 8.891 123.180 114.554 -0.441 0.000 2.899 96 T HA 0.326 nan 4.350 nan 0.000 0.284 96 T C 0.171 174.470 174.700 -0.667 0.000 1.004 96 T CA -0.421 61.158 62.100 -0.869 0.000 1.043 96 T CB 1.509 70.058 68.868 -0.532 0.000 1.013 96 T HN 0.118 8.243 8.240 -0.191 0.000 0.518 97 E N 3.576 123.117 120.200 -1.098 0.000 2.017 97 E HA -0.400 nan 4.350 nan 0.000 0.193 97 E C 1.760 178.237 176.600 -0.205 0.000 0.997 97 E CA 3.457 59.307 56.400 -0.916 0.000 0.804 97 E CB -0.353 28.878 29.700 -0.783 0.000 0.757 97 E HN 0.008 7.687 8.360 -1.135 0.000 0.448 98 E N -2.842 117.256 120.200 -0.169 0.000 2.394 98 E HA -0.276 nan 4.350 nan 0.000 0.202 98 E C -0.341 176.267 176.600 0.014 0.000 1.029 98 E CA 2.085 58.462 56.400 -0.037 0.000 0.855 98 E CB -0.727 28.957 29.700 -0.026 0.000 0.770 98 E HN 0.490 8.710 8.360 -0.234 0.000 0.527 99 D N -1.476 118.948 120.400 0.039 0.000 2.602 99 D HA 0.187 nan 4.640 nan 0.000 0.245 99 D C -0.159 176.175 176.300 0.057 0.000 1.325 99 D CA -0.941 53.081 54.000 0.036 0.000 0.952 99 D CB 2.537 43.346 40.800 0.016 0.000 1.317 99 D HN -0.859 7.336 8.370 0.038 0.198 0.577 100 K N 2.455 122.770 120.400 -0.142 0.000 2.077 100 K HA -0.409 nan 4.320 nan 0.000 0.213 100 K C -0.672 175.705 176.600 -0.371 0.000 1.051 100 K CA 2.522 58.487 56.287 -0.537 0.000 0.929 100 K CB -0.400 31.912 32.500 -0.312 0.000 0.715 100 K HN 0.476 8.674 8.250 -0.088 0.000 0.451 101 N N -1.895 116.732 118.700 -0.122 0.000 2.443 101 N HA 0.046 nan 4.740 nan 0.000 0.295 101 N C -1.173 174.354 175.510 0.028 0.000 1.076 101 N CA -1.318 51.710 53.050 -0.037 0.000 0.919 101 N CB 0.833 39.302 38.487 -0.031 0.000 1.176 101 N HN -0.483 7.788 8.380 -0.087 0.057 0.487 102 A N 0.069 122.920 122.820 0.051 0.000 2.498 102 A HA 0.005 nan 4.320 nan 0.000 0.239 102 A C -0.458 177.157 177.584 0.051 0.000 1.068 102 A CA 0.217 52.295 52.037 0.068 0.000 0.766 102 A CB 0.488 19.531 19.000 0.071 0.000 1.003 102 A HN 0.236 8.412 8.150 0.043 0.000 0.497 103 I N 2.874 123.481 120.570 0.063 0.000 2.304 103 I HA 0.187 nan 4.170 nan 0.000 0.291 103 I C -1.729 174.424 176.117 0.060 0.000 1.018 103 I CA -1.299 60.034 61.300 0.056 0.000 1.260 103 I CB 1.940 39.979 38.000 0.065 0.000 1.390 103 I HN -0.369 7.887 8.210 0.078 0.000 0.475 104 I N 9.259 129.855 120.570 0.043 0.000 2.471 104 I HA -0.034 nan 4.170 nan 0.000 0.286 104 I C -0.311 175.825 176.117 0.031 0.000 1.079 104 I CA -0.107 61.216 61.300 0.039 0.000 1.398 104 I CB -0.020 37.996 38.000 0.028 0.000 1.403 104 I HN -0.016 8.215 8.210 0.035 0.000 0.530 105 V N 8.964 128.897 119.914 0.032 0.000 2.811 105 V HA -0.037 nan 4.120 nan 0.000 0.302 105 V C 0.186 176.281 176.094 0.003 0.000 1.063 105 V CA 0.057 62.364 62.300 0.012 0.000 1.088 105 V CB 0.537 32.368 31.823 0.013 0.000 0.982 105 V HN 0.451 8.667 8.190 0.043 0.000 0.485 106 E N 4.467 124.659 120.200 -0.014 0.000 2.398 106 E HA 0.117 nan 4.350 nan 0.000 0.263 106 E C -0.613 175.985 176.600 -0.003 0.000 1.046 106 E CA -1.057 55.337 56.400 -0.010 0.000 0.908 106 E CB -0.740 28.949 29.700 -0.017 0.000 0.963 106 E HN 0.164 8.507 8.360 -0.028 0.000 0.431 107 P HA -0.364 nan 4.420 nan 0.000 0.212 107 P C 1.054 178.374 177.300 0.033 0.000 1.128 107 P CA 2.769 65.881 63.100 0.020 0.000 0.961 107 P CB 0.103 31.814 31.700 0.020 0.000 0.782 108 E N -2.000 118.224 120.200 0.040 0.000 2.379 108 E HA -0.100 nan 4.350 nan 0.000 0.209 108 E C -0.357 176.297 176.600 0.090 0.000 1.284 108 E CA 0.271 56.717 56.400 0.077 0.000 1.333 108 E CB -1.668 28.080 29.700 0.080 0.000 1.307 108 E HN 0.485 8.864 8.360 0.032 0.000 0.441 109 K N -3.772 116.638 120.400 0.016 0.000 2.600 109 K HA 0.137 nan 4.320 nan 0.000 0.210 109 K C -0.716 175.841 176.600 -0.070 0.000 1.650 109 K CA -0.202 56.004 56.287 -0.135 0.000 1.024 109 K CB 2.482 34.831 32.500 -0.252 0.000 1.370 109 K HN -0.068 8.077 8.250 0.015 0.114 0.619 110 R N -0.003 120.499 120.500 0.003 0.000 2.738 110 R HA -0.116 nan 4.340 nan 0.000 0.268 110 R C 0.038 176.373 176.300 0.059 0.000 1.062 110 R CA 1.256 57.368 56.100 0.021 0.000 1.158 110 R CB 0.656 30.970 30.300 0.024 0.000 1.046 110 R HN -0.405 7.771 8.270 0.019 0.106 0.493 111 G N -1.789 107.052 108.800 0.068 0.000 2.721 111 G HA2 0.257 nan 3.960 nan 0.000 0.296 111 G HA3 0.257 nan 3.960 nan 0.000 0.296 111 G C -1.490 173.423 174.900 0.022 0.000 1.383 111 G CA -0.306 44.844 45.100 0.085 0.000 0.788 111 G HN -0.309 7.900 8.290 0.061 0.118 0.500 112 K N 0.365 120.701 120.400 -0.106 0.000 2.585 112 K HA -0.222 nan 4.320 nan 0.000 0.194 112 K C -0.956 175.375 176.600 -0.449 0.000 1.037 112 K CA 1.342 57.406 56.287 -0.371 0.000 0.964 112 K CB 0.277 32.396 32.500 -0.635 0.000 0.787 112 K HN -0.121 8.490 8.250 -0.046 -0.388 0.488 113 Y N -4.306 116.033 120.300 0.065 0.000 2.536 113 Y HA 0.220 nan 4.550 nan 0.000 0.347 113 Y C -1.508 174.453 175.900 0.102 0.000 1.000 113 Y CA -1.672 56.480 58.100 0.087 0.000 1.051 113 Y CB 3.406 41.917 38.460 0.086 0.000 1.259 113 Y HN -0.565 7.686 8.280 0.096 0.087 0.468 114 V N 1.859 121.972 119.914 0.332 0.000 2.417 114 V HA 0.659 nan 4.120 nan 0.000 0.291 114 V C -1.444 174.822 176.094 0.286 0.000 1.024 114 V CA -0.886 61.582 62.300 0.280 0.000 0.861 114 V CB 0.891 32.889 31.823 0.292 0.000 0.985 114 V HN 0.432 8.754 8.190 0.416 0.117 0.436 115 V N 1.269 121.338 119.914 0.258 0.000 3.046 115 V HA 0.989 nan 4.120 nan 0.000 0.316 115 V C -1.696 174.568 176.094 0.284 0.000 1.104 115 V CA -3.399 59.057 62.300 0.259 0.000 1.006 115 V CB 3.400 35.395 31.823 0.287 0.000 1.058 115 V HN 0.491 8.832 8.190 0.251 0.000 0.440 116 C N 0.710 120.176 119.300 0.276 0.000 2.686 116 C HA 0.960 nan 4.460 nan 0.000 0.318 116 C C -2.044 173.142 174.990 0.328 0.000 1.160 116 C CA -1.304 57.852 59.018 0.231 0.000 1.396 116 C CB 2.502 30.348 27.740 0.175 0.000 1.924 116 C HN 0.563 8.845 8.230 0.244 0.095 0.471 117 F N -0.866 119.162 119.950 0.131 0.000 2.604 117 F HA 0.473 nan 4.527 nan 0.000 0.316 117 F C -2.931 172.770 175.800 -0.165 0.000 1.136 117 F CA -1.661 56.369 58.000 0.051 0.000 0.989 117 F CB 2.574 41.624 39.000 0.083 0.000 1.258 117 F HN 0.525 8.550 8.300 -0.458 0.000 0.451 118 D N 3.629 124.027 120.400 -0.003 0.000 2.396 118 D HA 0.485 nan 4.640 nan 0.000 0.225 118 D C -0.812 175.574 176.300 0.142 0.000 1.121 118 D CA -3.603 50.329 54.000 -0.112 0.000 0.853 118 D CB 1.769 42.531 40.800 -0.063 0.000 1.043 118 D HN -0.079 8.377 8.370 0.145 0.000 0.500 119 P HA -0.032 nan 4.420 nan 0.000 0.226 119 P C -1.502 175.890 177.300 0.153 0.000 1.153 119 P CA 1.199 64.447 63.100 0.246 0.000 0.777 119 P CB 0.482 32.344 31.700 0.269 0.000 0.794 120 L N -1.846 119.444 121.223 0.112 0.000 2.367 120 L HA 0.172 nan 4.340 nan 0.000 0.263 120 L C -2.812 174.102 176.870 0.075 0.000 1.533 120 L CA -0.422 54.478 54.840 0.099 0.000 0.761 120 L CB 1.016 43.102 42.059 0.045 0.000 0.943 120 L HN -0.780 7.665 8.230 0.085 -0.164 0.526 121 D N 3.581 124.030 120.400 0.082 0.000 2.433 121 D HA -0.159 nan 4.640 nan 0.000 0.274 121 D C 0.194 176.524 176.300 0.049 0.000 1.344 121 D CA 1.470 55.502 54.000 0.055 0.000 0.989 121 D CB 0.147 40.972 40.800 0.042 0.000 1.116 121 D HN -0.054 8.379 8.370 0.105 0.000 0.533 122 G N 5.357 114.178 108.800 0.034 0.000 2.205 122 G HA2 -0.352 nan 3.960 nan 0.000 0.180 122 G HA3 -0.352 nan 3.960 nan 0.000 0.180 122 G C 0.604 175.512 174.900 0.014 0.000 1.004 122 G CA 0.119 45.232 45.100 0.021 0.000 0.670 122 G HN -0.261 8.049 8.290 0.033 0.000 0.496 123 S N 0.438 116.146 115.700 0.013 0.000 2.448 123 S HA -0.372 nan 4.470 nan 0.000 0.250 123 S C -0.041 174.556 174.600 -0.004 0.000 1.088 123 S CA 2.893 61.093 58.200 -0.000 0.000 1.058 123 S CB -0.034 63.168 63.200 0.004 0.000 0.873 123 S HN -0.041 8.282 8.310 0.021 0.000 0.473 124 S N -0.481 115.221 115.700 0.002 0.000 2.606 124 S HA 0.205 nan 4.470 nan 0.000 0.156 124 S C -1.781 172.821 174.600 0.004 0.000 1.308 124 S CA 0.446 58.647 58.200 0.002 0.000 1.228 124 S CB 0.834 64.037 63.200 0.005 0.000 1.568 124 S HN -0.526 7.747 8.310 0.007 0.041 0.397 125 N N 0.870 119.570 118.700 0.001 0.000 2.286 125 N HA 0.102 nan 4.740 nan 0.000 0.245 125 N C -0.842 174.665 175.510 -0.006 0.000 1.363 125 N CA 0.251 53.299 53.050 -0.002 0.000 0.822 125 N CB 0.701 39.186 38.487 -0.004 0.000 1.345 125 N HN -0.164 8.215 8.380 -0.001 0.000 0.494 126 I N -0.970 119.596 120.570 -0.006 0.000 2.333 126 I HA -0.296 nan 4.170 nan 0.000 0.246 126 I C 0.558 176.671 176.117 -0.008 0.000 1.106 126 I CA 2.624 63.918 61.300 -0.009 0.000 1.411 126 I CB -0.650 37.340 38.000 -0.017 0.000 1.082 126 I HN 0.015 8.221 8.210 -0.006 0.000 0.420 127 D N 0.514 120.911 120.400 -0.007 0.000 2.558 127 D HA -0.292 nan 4.640 nan 0.000 0.190 127 D C 1.783 178.080 176.300 -0.004 0.000 1.047 127 D CA 2.762 56.759 54.000 -0.005 0.000 0.880 127 D CB -1.319 39.480 40.800 -0.002 0.000 0.926 127 D HN 0.526 8.892 8.370 -0.007 0.000 0.465 128 C N -2.750 116.547 119.300 -0.005 0.000 2.399 128 C HA 0.151 nan 4.460 nan 0.000 0.348 128 C C 1.032 176.018 174.990 -0.006 0.000 1.318 128 C CA -2.003 57.012 59.018 -0.006 0.000 1.621 128 C CB -1.178 26.558 27.740 -0.008 0.000 1.683 128 C HN -0.323 7.904 8.230 -0.005 0.000 0.595 129 L N -1.161 120.059 121.223 -0.005 0.000 4.092 129 L HA -0.455 nan 4.340 nan 0.000 0.473 129 L C -0.080 176.791 176.870 0.000 0.000 1.078 129 L CA 0.754 55.593 54.840 -0.002 0.000 0.910 129 L CB -2.506 39.552 42.059 -0.001 0.000 1.832 129 L HN -0.143 7.963 8.230 -0.005 0.121 0.995 130 V N -2.435 117.476 119.914 -0.005 0.000 3.003 130 V HA -0.062 nan 4.120 nan 0.000 0.305 130 V C 0.493 176.589 176.094 0.003 0.000 1.078 130 V CA 0.245 62.538 62.300 -0.011 0.000 1.083 130 V CB 1.111 32.919 31.823 -0.025 0.000 1.039 130 V HN -0.779 7.356 8.190 -0.007 0.051 0.481 131 S N 3.173 118.871 115.700 -0.003 0.000 2.537 131 S HA 0.125 nan 4.470 nan 0.000 0.286 131 S C -0.770 173.848 174.600 0.029 0.000 1.299 131 S CA 1.495 59.704 58.200 0.016 0.000 1.067 131 S CB 0.071 63.259 63.200 -0.019 0.000 0.864 131 S HN 0.070 8.369 8.310 -0.018 0.000 0.494 132 I N -3.072 117.563 120.570 0.108 0.000 3.174 132 I HA 0.801 nan 4.170 nan 0.000 0.313 132 I C -1.906 174.383 176.117 0.287 0.000 1.155 132 I CA -1.988 59.397 61.300 0.142 0.000 0.977 132 I CB 3.900 41.963 38.000 0.106 0.000 1.248 132 I HN -0.469 7.842 8.210 0.168 0.000 0.453 133 G N -1.738 107.227 108.800 0.274 0.000 2.608 133 G HA2 0.381 nan 3.960 nan 0.000 0.291 133 G HA3 0.381 nan 3.960 nan 0.000 0.291 133 G C -2.931 172.147 174.900 0.296 0.000 1.425 133 G CA -0.132 45.133 45.100 0.275 0.000 0.787 133 G HN -0.064 8.338 8.290 0.187 0.000 0.484 134 T N 2.392 117.094 114.554 0.246 0.000 2.833 134 T HA 0.525 nan 4.350 nan 0.000 0.297 134 T C -0.671 174.192 174.700 0.272 0.000 1.015 134 T CA -0.171 62.082 62.100 0.255 0.000 0.963 134 T CB 0.245 69.270 68.868 0.262 0.000 0.955 134 T HN -0.229 8.092 8.240 0.136 0.000 0.449 135 I N 7.146 127.859 120.570 0.238 0.000 2.385 135 I HA 0.789 nan 4.170 nan 0.000 0.294 135 I C -1.452 174.846 176.117 0.301 0.000 0.988 135 I CA -1.046 60.386 61.300 0.218 0.000 1.265 135 I CB 1.281 39.344 38.000 0.105 0.000 1.388 135 I HN 0.581 8.915 8.210 0.207 0.000 0.480 136 F N 2.523 122.554 119.950 0.134 0.000 2.591 136 F HA 0.849 nan 4.527 nan 0.000 0.309 136 F C -2.315 173.529 175.800 0.073 0.000 1.098 136 F CA -2.485 55.592 58.000 0.128 0.000 0.937 136 F CB 3.074 42.110 39.000 0.060 0.000 1.250 136 F HN 0.313 8.505 8.300 -0.181 0.000 0.447 137 G N 0.687 109.506 108.800 0.033 0.000 2.707 137 G HA2 0.713 nan 3.960 nan 0.000 0.299 137 G HA3 0.713 nan 3.960 nan 0.000 0.299 137 G C -2.806 172.021 174.900 -0.121 0.000 1.442 137 G CA -0.745 44.256 45.100 -0.165 0.000 1.009 137 G HN 0.832 9.165 8.290 0.219 0.088 0.515 138 I N 3.917 124.407 120.570 -0.134 0.000 2.474 138 I HA 0.768 nan 4.170 nan 0.000 0.294 138 I C -1.862 174.211 176.117 -0.073 0.000 1.005 138 I CA -1.269 60.019 61.300 -0.021 0.000 1.113 138 I CB 3.378 41.429 38.000 0.085 0.000 1.289 138 I HN 0.854 8.970 8.210 -0.157 0.000 0.436 139 Y N 4.435 124.831 120.300 0.161 0.000 2.650 139 Y HA 0.403 nan 4.550 nan 0.000 0.331 139 Y C -1.370 174.666 175.900 0.227 0.000 1.082 139 Y CA -2.630 55.550 58.100 0.133 0.000 1.171 139 Y CB 3.855 42.361 38.460 0.077 0.000 1.326 139 Y HN 0.986 9.418 8.280 0.253 0.000 0.513 140 R N 0.048 120.715 120.500 0.279 0.000 2.483 140 R HA 0.294 nan 4.340 nan 0.000 0.303 140 R C -0.520 175.767 176.300 -0.022 0.000 0.987 140 R CA -1.480 54.641 56.100 0.034 0.000 0.881 140 R CB 1.460 31.733 30.300 -0.045 0.000 1.177 140 R HN 0.275 8.684 8.270 0.232 0.000 0.451 141 K N 7.554 127.926 120.400 -0.046 0.000 2.127 141 K HA -0.368 nan 4.320 nan 0.000 0.208 141 K C 1.220 177.787 176.600 -0.055 0.000 1.047 141 K CA 2.701 58.967 56.287 -0.035 0.000 0.927 141 K CB 0.239 32.723 32.500 -0.027 0.000 0.716 141 K HN 0.839 8.951 8.250 -0.064 0.100 0.450 142 N N -3.296 115.358 118.700 -0.077 0.000 2.377 142 N HA -0.486 nan 4.740 nan 0.000 0.152 142 N C 0.972 176.455 175.510 -0.045 0.000 0.187 142 N CA 2.235 55.247 53.050 -0.063 0.000 2.138 142 N CB -2.324 36.129 38.487 -0.057 0.000 0.886 142 N HN -0.107 8.182 8.380 -0.112 0.024 0.936 143 S N 4.100 119.775 115.700 -0.043 0.000 2.752 143 S HA -0.183 nan 4.470 nan 0.000 0.329 143 S C 0.401 174.983 174.600 -0.030 0.000 1.204 143 S CA 0.812 58.991 58.200 -0.036 0.000 1.252 143 S CB -0.735 62.440 63.200 -0.041 0.000 1.053 143 S HN -0.162 8.072 8.310 -0.049 0.047 0.533 144 T N 6.938 121.477 114.554 -0.025 0.000 2.845 144 T HA -0.376 nan 4.350 nan 0.000 0.444 144 T C -0.226 174.465 174.700 -0.016 0.000 1.037 144 T CA 1.858 63.946 62.100 -0.020 0.000 1.152 144 T CB 0.454 69.312 68.868 -0.017 0.000 1.118 144 T HN -0.243 7.981 8.240 -0.026 0.000 0.528 145 D N 2.505 122.898 120.400 -0.011 0.000 2.661 145 D HA -0.203 nan 4.640 nan 0.000 0.283 145 D C -0.666 175.629 176.300 -0.009 0.000 1.470 145 D CA 1.837 55.832 54.000 -0.008 0.000 1.126 145 D CB -0.504 40.293 40.800 -0.006 0.000 1.145 145 D HN 0.204 8.568 8.370 -0.011 0.000 0.572 146 E N 0.895 121.090 120.200 -0.008 0.000 2.810 146 E HA 0.188 nan 4.350 nan 0.000 0.214 146 E C -1.555 175.043 176.600 -0.004 0.000 0.980 146 E CA -1.807 54.589 56.400 -0.008 0.000 1.159 146 E CB -0.256 29.436 29.700 -0.012 0.000 1.047 146 E HN -0.300 8.033 8.360 -0.008 0.022 0.484 147 P HA -0.187 nan 4.420 nan 0.000 0.203 147 P C 0.793 178.093 177.300 0.000 0.000 0.967 147 P CA 2.150 65.249 63.100 -0.000 0.000 0.946 147 P CB 0.341 32.043 31.700 0.003 0.000 0.690 148 S N -3.588 112.115 115.700 0.006 0.000 2.431 148 S HA -0.027 nan 4.470 nan 0.000 0.210 148 S C -0.356 174.250 174.600 0.010 0.000 1.013 148 S CA 1.068 59.274 58.200 0.010 0.000 0.920 148 S CB 0.450 63.660 63.200 0.017 0.000 0.882 148 S HN -0.239 8.075 8.310 0.007 0.000 0.567 149 E N -0.803 119.406 120.200 0.014 0.000 6.090 149 E HA -0.321 nan 4.350 nan 0.000 0.423 149 E C 0.915 177.524 176.600 0.016 0.000 0.706 149 E CA 0.938 57.346 56.400 0.014 0.000 1.306 149 E CB 0.034 29.738 29.700 0.007 0.000 0.767 149 E HN -0.082 8.287 8.360 0.015 0.000 0.371 150 K N 3.185 123.597 120.400 0.021 0.000 2.351 150 K HA -0.498 nan 4.320 nan 0.000 0.204 150 K C 1.714 178.324 176.600 0.016 0.000 1.041 150 K CA 2.918 59.221 56.287 0.027 0.000 0.935 150 K CB -0.050 32.464 32.500 0.023 0.000 0.734 150 K HN 0.597 8.859 8.250 0.020 0.000 0.486 151 D N -0.589 119.811 120.400 0.000 0.000 2.182 151 D HA -0.209 nan 4.640 nan 0.000 0.201 151 D C 1.115 177.395 176.300 -0.034 0.000 0.986 151 D CA 2.289 56.279 54.000 -0.016 0.000 0.847 151 D CB -0.124 40.664 40.800 -0.020 0.000 0.942 151 D HN -0.610 7.676 8.370 0.000 0.084 0.467 152 A N -1.650 121.153 122.820 -0.028 0.000 2.194 152 A HA -0.178 nan 4.320 nan 0.000 0.220 152 A C 0.756 178.275 177.584 -0.109 0.000 1.162 152 A CA 1.577 53.579 52.037 -0.058 0.000 0.674 152 A CB 0.022 19.015 19.000 -0.013 0.000 0.789 152 A HN -0.522 7.604 8.150 -0.010 0.018 0.470 153 L N -0.933 120.263 121.223 -0.045 0.000 2.423 153 L HA -0.064 nan 4.340 nan 0.000 0.249 153 L C -0.795 176.023 176.870 -0.086 0.000 1.276 153 L CA 0.390 55.219 54.840 -0.019 0.000 1.199 153 L CB -2.806 39.283 42.059 0.050 0.000 1.407 153 L HN -0.525 7.597 8.230 -0.015 0.100 0.410 154 Q N 0.767 120.441 119.800 -0.210 0.000 2.215 154 Q HA 0.181 nan 4.340 nan 0.000 0.257 154 Q C -1.839 174.048 176.000 -0.188 0.000 0.792 154 Q CA 0.087 55.790 55.803 -0.167 0.000 0.958 154 Q CB 0.023 28.682 28.738 -0.132 0.000 1.158 154 Q HN 0.223 8.226 8.270 -0.355 0.053 0.490 155 P HA 0.256 nan 4.420 nan 0.000 0.325 155 P C -0.970 176.291 177.300 -0.066 0.000 1.298 155 P CA -1.666 61.324 63.100 -0.183 0.000 0.771 155 P CB 1.936 33.500 31.700 -0.226 0.000 1.389 156 G N -1.656 107.144 108.800 -0.000 0.000 2.482 156 G HA2 0.044 nan 3.960 nan 0.000 0.184 156 G HA3 0.044 nan 3.960 nan 0.000 0.184 156 G C 0.739 175.678 174.900 0.064 0.000 1.331 156 G CA 0.912 46.053 45.100 0.070 0.000 0.668 156 G HN -0.105 8.170 8.290 -0.025 0.000 0.631 157 R N 2.981 123.490 120.500 0.016 0.000 3.425 157 R HA -0.154 nan 4.340 nan 0.000 0.213 157 R C -0.379 175.910 176.300 -0.018 0.000 1.890 157 R CA -0.540 55.557 56.100 -0.004 0.000 1.589 157 R CB -1.620 28.687 30.300 0.011 0.000 1.095 157 R HN -0.071 8.153 8.270 0.009 0.052 0.547 158 N N -1.914 116.792 118.700 0.010 0.000 2.232 158 N HA 0.042 nan 4.740 nan 0.000 0.240 158 N C -1.325 174.236 175.510 0.086 0.000 1.307 158 N CA -0.343 52.718 53.050 0.019 0.000 0.859 158 N CB 1.723 40.209 38.487 -0.001 0.000 1.260 158 N HN -0.023 8.315 8.380 0.087 0.094 0.501 159 L N -0.843 120.366 121.223 -0.025 0.000 2.331 159 L HA 0.243 nan 4.340 nan 0.000 0.278 159 L C 1.121 177.801 176.870 -0.316 0.000 1.106 159 L CA 0.095 54.851 54.840 -0.140 0.000 0.824 159 L CB -0.363 41.397 42.059 -0.499 0.000 1.142 159 L HN -0.685 7.459 8.230 -0.144 0.000 0.443 160 V N -1.440 118.461 119.914 -0.021 0.000 2.358 160 V HA -0.087 nan 4.120 nan 0.000 0.246 160 V C 0.113 176.324 176.094 0.195 0.000 1.047 160 V CA 1.899 64.256 62.300 0.095 0.000 1.035 160 V CB -0.513 31.427 31.823 0.196 0.000 0.658 160 V HN 0.275 8.505 8.190 0.066 0.000 0.452 161 A N -2.710 120.199 122.820 0.148 0.000 2.427 161 A HA 0.639 nan 4.320 nan 0.000 0.298 161 A C -2.916 174.743 177.584 0.125 0.000 1.036 161 A CA -0.732 51.439 52.037 0.223 0.000 0.701 161 A CB 2.720 21.808 19.000 0.146 0.000 1.250 161 A HN -0.689 7.455 8.150 0.036 0.027 0.412 162 A N 2.150 125.064 122.820 0.155 0.000 2.574 162 A HA 1.006 nan 4.320 nan 0.000 0.297 162 A C -2.274 175.090 177.584 -0.367 0.000 1.062 162 A CA -0.924 51.019 52.037 -0.157 0.000 0.686 162 A CB 3.220 22.275 19.000 0.092 0.000 1.285 162 A HN 0.898 9.208 8.150 0.266 0.000 0.403 163 G N -0.448 107.791 108.800 -0.934 0.000 2.393 163 G HA2 0.750 nan 3.960 nan 0.000 0.264 163 G HA3 0.750 nan 3.960 nan 0.000 0.264 163 G C -3.082 171.587 174.900 -0.386 0.000 1.221 163 G CA 1.093 45.913 45.100 -0.466 0.000 0.912 163 G HN -0.104 7.216 8.290 -1.618 0.000 0.483 164 Y N -3.927 116.340 120.300 -0.055 0.000 3.008 164 Y HA 0.926 nan 4.550 nan 0.000 0.306 164 Y C -2.752 173.194 175.900 0.077 0.000 1.643 164 Y CA -2.036 56.119 58.100 0.092 0.000 1.087 164 Y CB 2.284 40.730 38.460 -0.024 0.000 1.760 164 Y HN 0.276 8.356 8.280 -0.333 0.000 0.438 165 A N -1.716 121.240 122.820 0.226 0.000 2.550 165 A HA 0.297 nan 4.320 nan 0.000 0.282 165 A C -2.602 174.772 177.584 -0.351 0.000 1.071 165 A CA 0.243 52.194 52.037 -0.142 0.000 0.838 165 A CB 1.934 20.764 19.000 -0.283 0.000 1.361 165 A HN -0.039 8.314 8.150 0.338 0.000 0.408 166 L N 5.031 126.117 121.223 -0.229 0.000 2.283 166 L HA 0.413 nan 4.340 nan 0.000 0.287 166 L C -1.838 174.829 176.870 -0.339 0.000 1.073 166 L CA -1.254 53.429 54.840 -0.262 0.000 0.822 166 L CB 1.031 43.008 42.059 -0.136 0.000 1.186 166 L HN -0.156 7.991 8.230 -0.138 0.000 0.436 167 Y N 6.460 126.774 120.300 0.024 0.000 2.627 167 Y HA 0.153 nan 4.550 nan 0.000 0.347 167 Y C -0.529 175.366 175.900 -0.009 0.000 1.099 167 Y CA -0.984 57.125 58.100 0.015 0.000 1.408 167 Y CB -1.888 36.583 38.460 0.018 0.000 1.247 167 Y HN -0.077 8.105 8.280 -0.164 0.000 0.506 168 G N 1.992 110.831 108.800 0.065 0.000 3.341 168 G HA2 0.250 nan 3.960 nan 0.000 0.177 168 G HA3 0.250 nan 3.960 nan 0.000 0.177 168 G C -0.072 174.846 174.900 0.030 0.000 1.236 168 G CA -1.239 43.880 45.100 0.032 0.000 0.888 168 G HN -0.048 8.148 8.290 0.029 0.112 0.644 169 S N 1.238 116.945 115.700 0.012 0.000 2.392 169 S HA -0.299 nan 4.470 nan 0.000 0.232 169 S C 1.159 175.766 174.600 0.011 0.000 1.041 169 S CA 3.007 61.214 58.200 0.012 0.000 1.026 169 S CB 0.014 63.220 63.200 0.009 0.000 0.845 169 S HN 0.390 8.703 8.310 0.005 0.000 0.465 170 A N 0.186 123.009 122.820 0.005 0.000 3.837 170 A HA 0.275 nan 4.320 nan 0.000 0.159 170 A C -1.598 176.000 177.584 0.024 0.000 1.157 170 A CA -0.858 51.183 52.037 0.007 0.000 0.890 170 A CB 1.601 20.596 19.000 -0.008 0.000 1.553 170 A HN -0.506 7.646 8.150 -0.005 -0.005 0.642 171 T N 0.574 115.141 114.554 0.022 0.000 3.233 171 T HA 0.201 nan 4.350 nan 0.000 0.324 171 T C -1.337 173.424 174.700 0.101 0.000 0.992 171 T CA 0.254 62.380 62.100 0.042 0.000 1.414 171 T CB -0.341 68.605 68.868 0.131 0.000 0.935 171 T HN 0.162 8.410 8.240 0.013 0.000 0.544 172 M N 5.129 124.723 119.600 -0.010 0.000 2.216 172 M HA 0.405 nan 4.480 nan 0.000 0.356 172 M C -2.287 173.979 176.300 -0.057 0.000 1.205 172 M CA -0.033 55.278 55.300 0.018 0.000 1.122 172 M CB 2.241 34.797 32.600 -0.072 0.000 1.571 172 M HN -0.002 8.226 8.290 -0.104 0.000 0.464 173 L N 3.843 125.032 121.223 -0.057 0.000 2.319 173 L HA 0.545 nan 4.340 nan 0.000 0.281 173 L C -2.245 174.498 176.870 -0.210 0.000 1.005 173 L CA -1.227 53.429 54.840 -0.307 0.000 0.828 173 L CB 2.141 43.763 42.059 -0.730 0.000 1.227 173 L HN -0.066 8.231 8.230 0.111 0.000 0.415 174 V N 7.360 127.036 119.914 -0.397 0.000 2.394 174 V HA 0.546 nan 4.120 nan 0.000 0.282 174 V C -1.936 174.022 176.094 -0.226 0.000 1.031 174 V CA -0.990 61.129 62.300 -0.301 0.000 0.881 174 V CB 0.994 32.467 31.823 -0.584 0.000 0.982 174 V HN 0.001 7.803 8.190 -0.647 0.000 0.451 175 L N 8.252 129.458 121.223 -0.029 0.000 2.372 175 L HA 0.778 nan 4.340 nan 0.000 0.273 175 L C -2.543 174.344 176.870 0.027 0.000 0.989 175 L CA -0.966 53.882 54.840 0.014 0.000 0.841 175 L CB 3.659 45.718 42.059 0.001 0.000 1.225 175 L HN 0.792 8.969 8.230 0.087 0.105 0.414 176 A N 7.371 130.165 122.820 -0.043 0.000 2.287 176 A HA 0.813 nan 4.320 nan 0.000 0.317 176 A C -2.239 175.258 177.584 -0.146 0.000 1.220 176 A CA -1.472 50.477 52.037 -0.147 0.000 0.835 176 A CB 1.978 20.811 19.000 -0.277 0.000 1.180 176 A HN 1.043 9.160 8.150 -0.056 0.000 0.500 177 M N 2.940 122.471 119.600 -0.116 0.000 2.755 177 M HA 0.602 nan 4.480 nan 0.000 0.298 177 M C 1.726 178.010 176.300 -0.026 0.000 1.251 177 M CA -1.401 53.927 55.300 0.047 0.000 0.817 177 M CB 3.771 36.446 32.600 0.125 0.000 1.760 177 M HN -0.154 8.077 8.290 -0.099 0.000 0.473 178 V N 1.487 121.545 119.914 0.240 0.000 2.363 178 V HA -0.639 nan 4.120 nan 0.000 0.256 178 V C 0.057 176.208 176.094 0.095 0.000 1.123 178 V CA 4.209 66.639 62.300 0.218 0.000 1.108 178 V CB -1.112 30.813 31.823 0.170 0.000 0.843 178 V HN 0.375 8.810 8.190 0.408 0.000 0.461 179 N N -5.597 113.128 118.700 0.043 0.000 2.241 179 N HA 0.121 nan 4.740 nan 0.000 0.238 179 N C -0.534 174.977 175.510 0.002 0.000 1.244 179 N CA -0.941 52.121 53.050 0.021 0.000 0.880 179 N CB 0.470 38.974 38.487 0.028 0.000 1.179 179 N HN 0.028 8.399 8.380 0.047 0.037 0.513 180 G N -1.360 107.425 108.800 -0.025 0.000 2.358 180 G HA2 -0.035 nan 3.960 nan 0.000 0.301 180 G HA3 -0.035 nan 3.960 nan 0.000 0.301 180 G C -3.016 171.869 174.900 -0.025 0.000 1.539 180 G CA 0.391 45.480 45.100 -0.019 0.000 0.893 180 G HN -0.511 7.747 8.290 -0.054 0.000 0.636 181 V N 0.718 120.608 119.914 -0.040 0.000 2.439 181 V HA 0.397 nan 4.120 nan 0.000 0.282 181 V C -0.844 175.237 176.094 -0.022 0.000 1.039 181 V CA -1.311 60.961 62.300 -0.047 0.000 0.913 181 V CB 0.352 32.131 31.823 -0.074 0.000 0.983 181 V HN 0.409 8.576 8.190 -0.038 0.000 0.460 182 N N 4.830 123.532 118.700 0.003 0.000 2.238 182 N HA 0.572 nan 4.740 nan 0.000 0.302 182 N C -1.823 173.649 175.510 -0.063 0.000 1.072 182 N CA -0.957 52.053 53.050 -0.066 0.000 0.792 182 N CB 4.223 42.691 38.487 -0.032 0.000 1.425 182 N HN -0.126 8.271 8.380 0.028 0.000 0.478 183 C N 0.713 119.874 119.300 -0.231 0.000 2.417 183 C HA 0.811 nan 4.460 nan 0.000 0.324 183 C C -1.384 173.391 174.990 -0.358 0.000 1.240 183 C CA -0.394 58.545 59.018 -0.131 0.000 1.632 183 C CB 1.796 29.479 27.740 -0.095 0.000 2.241 183 C HN 0.202 8.233 8.230 -0.333 0.000 0.499 184 F N 2.440 122.317 119.950 -0.121 0.000 2.598 184 F HA 0.786 nan 4.527 nan 0.000 0.327 184 F C -1.515 174.324 175.800 0.065 0.000 1.057 184 F CA -1.966 56.005 58.000 -0.048 0.000 0.957 184 F CB 4.274 43.245 39.000 -0.049 0.000 1.278 184 F HN 0.344 8.803 8.300 0.265 0.000 0.484 185 M N 0.190 119.948 119.600 0.264 0.000 2.393 185 M HA 0.476 nan 4.480 nan 0.000 0.299 185 M C -2.020 174.297 176.300 0.028 0.000 1.103 185 M CA -1.226 54.158 55.300 0.141 0.000 0.910 185 M CB 4.384 36.998 32.600 0.024 0.000 1.659 185 M HN 0.209 8.720 8.290 0.234 -0.080 0.445 186 L N 5.203 126.347 121.223 -0.132 0.000 2.418 186 L HA 0.111 nan 4.340 nan 0.000 0.274 186 L C -1.423 175.284 176.870 -0.271 0.000 1.135 186 L CA -0.081 54.441 54.840 -0.530 0.000 0.870 186 L CB 0.375 42.126 42.059 -0.513 0.000 1.154 186 L HN 0.192 8.422 8.230 -0.001 0.000 0.462 187 D N 7.720 127.963 120.400 -0.262 0.000 2.317 187 D HA 0.331 nan 4.640 nan 0.000 0.234 187 D C -0.706 175.501 176.300 -0.154 0.000 1.112 187 D CA -2.882 51.030 54.000 -0.146 0.000 0.840 187 D CB 2.173 42.917 40.800 -0.093 0.000 1.078 187 D HN 0.105 8.279 8.370 -0.327 0.000 0.486 188 P HA 0.100 nan 4.420 nan 0.000 0.245 188 P C -1.145 176.117 177.300 -0.064 0.000 1.206 188 P CA 0.379 63.424 63.100 -0.091 0.000 0.781 188 P CB 0.279 31.938 31.700 -0.068 0.000 0.994 189 A N 0.280 123.068 122.820 -0.053 0.000 1.898 189 A HA -0.100 nan 4.320 nan 0.000 0.214 189 A C 1.078 178.639 177.584 -0.037 0.000 1.183 189 A CA 2.039 54.056 52.037 -0.034 0.000 0.622 189 A CB 0.703 19.692 19.000 -0.019 0.000 0.824 189 A HN 0.000 8.453 8.150 -0.061 -0.340 0.444 190 I N -8.382 112.159 120.570 -0.049 0.000 4.081 190 I HA 0.332 nan 4.170 nan 0.000 0.333 190 I C 0.366 176.450 176.117 -0.055 0.000 1.413 190 I CA -0.990 60.285 61.300 -0.043 0.000 1.110 190 I CB 0.678 38.660 38.000 -0.030 0.000 1.082 190 I HN -0.063 8.394 8.210 -0.061 -0.283 0.402 191 G N 1.325 110.075 108.800 -0.084 0.000 2.298 191 G HA2 -0.461 nan 3.960 nan 0.000 0.287 191 G HA3 -0.461 nan 3.960 nan 0.000 0.287 191 G C -1.600 173.240 174.900 -0.100 0.000 1.075 191 G CA 0.454 45.497 45.100 -0.094 0.000 0.960 191 G HN -0.375 7.857 8.290 -0.097 0.000 0.502 192 E N -1.452 118.656 120.200 -0.154 0.000 2.366 192 E HA 0.279 nan 4.350 nan 0.000 0.278 192 E C -1.961 174.535 176.600 -0.173 0.000 0.923 192 E CA -0.939 55.400 56.400 -0.103 0.000 0.761 192 E CB 3.987 33.679 29.700 -0.014 0.000 1.231 192 E HN -0.855 7.395 8.360 -0.184 0.000 0.443 193 F N 2.577 122.532 119.950 0.007 0.000 2.424 193 F HA 0.437 nan 4.527 nan 0.000 0.356 193 F C -0.745 175.157 175.800 0.170 0.000 1.110 193 F CA 0.662 58.694 58.000 0.053 0.000 1.161 193 F CB 1.068 40.049 39.000 -0.030 0.000 1.115 193 F HN 0.685 9.152 8.300 0.278 0.000 0.507 194 I N 3.445 124.184 120.570 0.281 0.000 2.474 194 I HA 0.467 nan 4.170 nan 0.000 0.294 194 I C -1.303 174.806 176.117 -0.013 0.000 1.005 194 I CA -1.614 59.774 61.300 0.146 0.000 1.113 194 I CB 3.911 41.935 38.000 0.040 0.000 1.289 194 I HN 0.497 8.890 8.210 0.211 -0.056 0.436 195 L N 8.343 129.437 121.223 -0.215 0.000 2.615 195 L HA -0.185 nan 4.340 nan 0.000 0.271 195 L C -1.178 175.461 176.870 -0.385 0.000 1.183 195 L CA 1.513 55.961 54.840 -0.653 0.000 0.933 195 L CB -1.224 40.524 42.059 -0.520 0.000 1.199 195 L HN 0.189 8.374 8.230 -0.076 0.000 0.487 196 V N 7.389 127.067 119.914 -0.392 0.000 3.151 196 V HA 0.155 nan 4.120 nan 0.000 0.241 196 V C -0.242 175.730 176.094 -0.204 0.000 1.173 196 V CA 1.019 63.193 62.300 -0.210 0.000 1.154 196 V CB 1.807 33.550 31.823 -0.133 0.000 0.898 196 V HN 0.599 8.448 8.190 -0.568 0.000 0.473 197 D N -2.724 117.519 120.400 -0.261 0.000 2.934 197 D HA 0.236 nan 4.640 nan 0.000 0.230 197 D C -1.292 174.872 176.300 -0.226 0.000 1.204 197 D CA -0.929 52.958 54.000 -0.188 0.000 0.873 197 D CB 2.354 43.068 40.800 -0.143 0.000 1.645 197 D HN -0.637 7.510 8.370 -0.372 0.000 0.502 198 R N 3.365 123.777 120.500 -0.147 0.000 2.175 198 R HA 0.024 nan 4.340 nan 0.000 0.202 198 R C -0.474 175.793 176.300 -0.055 0.000 1.018 198 R CA 0.428 56.458 56.100 -0.117 0.000 1.029 198 R CB 0.858 31.135 30.300 -0.039 0.000 0.959 198 R HN 0.392 8.597 8.270 -0.108 0.000 0.480 199 N N 0.285 118.956 118.700 -0.050 0.000 2.673 199 N HA 0.034 nan 4.740 nan 0.000 0.265 199 N C -1.620 173.866 175.510 -0.040 0.000 1.709 199 N CA -0.139 52.896 53.050 -0.025 0.000 0.792 199 N CB 2.875 41.361 38.487 -0.000 0.000 1.286 199 N HN -0.699 7.794 8.380 -0.065 -0.152 0.506 200 V N 2.269 122.146 119.914 -0.061 0.000 2.720 200 V HA -0.202 nan 4.120 nan 0.000 0.307 200 V C -1.725 174.337 176.094 -0.054 0.000 1.071 200 V CA 0.735 62.994 62.300 -0.067 0.000 1.199 200 V CB 0.686 32.453 31.823 -0.092 0.000 0.900 200 V HN -0.316 7.830 8.190 -0.073 0.000 0.494 201 K N 6.631 127.002 120.400 -0.048 0.000 2.422 201 K HA 0.471 nan 4.320 nan 0.000 0.251 201 K C -1.169 175.410 176.600 -0.035 0.000 0.933 201 K CA -2.446 53.820 56.287 -0.034 0.000 0.798 201 K CB 2.818 35.305 32.500 -0.022 0.000 1.238 201 K HN -0.213 8.005 8.250 -0.053 0.000 0.428 202 I N 2.910 123.466 120.570 -0.023 0.000 2.371 202 I HA -0.006 nan 4.170 nan 0.000 0.290 202 I C -0.969 175.147 176.117 -0.002 0.000 1.028 202 I CA -0.964 60.326 61.300 -0.017 0.000 1.345 202 I CB 1.515 39.513 38.000 -0.005 0.000 1.407 202 I HN 0.650 8.850 8.210 -0.017 0.000 0.501 203 K N 9.550 129.950 120.400 -0.001 0.000 2.161 203 K HA -0.254 nan 4.320 nan 0.000 0.260 203 K C -0.263 176.351 176.600 0.023 0.000 1.158 203 K CA 1.256 57.550 56.287 0.011 0.000 1.172 203 K CB -0.901 31.609 32.500 0.016 0.000 0.917 203 K HN 0.469 8.711 8.250 -0.012 0.000 0.410 204 K N 0.843 121.258 120.400 0.025 0.000 2.366 204 K HA -0.378 nan 4.320 nan 0.000 0.202 204 K C -0.370 176.264 176.600 0.057 0.000 1.045 204 K CA 2.055 58.364 56.287 0.037 0.000 0.934 204 K CB 0.266 32.785 32.500 0.033 0.000 0.746 204 K HN -0.104 8.158 8.250 0.019 0.000 0.470 205 K N -4.060 116.372 120.400 0.053 0.000 2.735 205 K HA 0.034 nan 4.320 nan 0.000 0.295 205 K C -2.069 174.542 176.600 0.018 0.000 1.052 205 K CA -0.173 56.157 56.287 0.073 0.000 0.853 205 K CB 2.489 35.053 32.500 0.106 0.000 1.535 205 K HN -0.765 7.453 8.250 0.036 0.053 0.383 206 G N 1.348 110.125 108.800 -0.039 0.000 2.551 206 G HA2 -0.204 nan 3.960 nan 0.000 0.604 206 G HA3 -0.204 nan 3.960 nan 0.000 0.604 206 G C -2.624 172.108 174.900 -0.280 0.000 1.116 206 G CA -0.086 44.939 45.100 -0.125 0.000 1.285 206 G HN 0.155 8.426 8.290 -0.031 0.000 0.586 207 S N 1.863 117.139 115.700 -0.706 0.000 2.720 207 S HA 0.787 nan 4.470 nan 0.000 0.287 207 S C -1.860 172.388 174.600 -0.588 0.000 1.168 207 S CA -1.610 56.178 58.200 -0.687 0.000 0.832 207 S CB 4.182 67.073 63.200 -0.514 0.000 1.166 207 S HN -0.486 7.220 8.310 -1.008 0.000 0.493 208 I N -0.034 120.430 120.570 -0.177 0.000 2.822 208 I HA 0.733 nan 4.170 nan 0.000 0.312 208 I C -1.818 174.472 176.117 0.288 0.000 1.011 208 I CA -1.567 59.760 61.300 0.044 0.000 1.105 208 I CB 2.947 40.958 38.000 0.019 0.000 1.291 208 I HN -0.068 8.071 8.210 -0.118 0.000 0.474 209 Y N 1.533 121.962 120.300 0.216 0.000 2.544 209 Y HA 0.720 nan 4.550 nan 0.000 0.342 209 Y C -2.858 173.182 175.900 0.234 0.000 1.062 209 Y CA -2.277 55.985 58.100 0.269 0.000 1.023 209 Y CB 3.191 41.833 38.460 0.304 0.000 1.308 209 Y HN 0.064 8.365 8.280 0.034 0.000 0.457 210 S N 0.127 115.983 115.700 0.261 0.000 2.672 210 S HA 0.424 nan 4.470 nan 0.000 0.291 210 S C -2.166 172.551 174.600 0.195 0.000 1.145 210 S CA -1.076 57.247 58.200 0.205 0.000 1.013 210 S CB 2.455 65.920 63.200 0.441 0.000 1.017 210 S HN 0.794 9.339 8.310 0.391 0.000 0.487 211 I N 0.852 121.334 120.570 -0.146 0.000 2.918 211 I HA 0.131 nan 4.170 nan 0.000 0.301 211 I C -2.439 173.139 176.117 -0.897 0.000 1.312 211 I CA -1.172 59.862 61.300 -0.443 0.000 1.007 211 I CB 3.280 41.239 38.000 -0.069 0.000 1.281 211 I HN 0.237 8.324 8.210 -0.205 0.000 0.440 212 N N 5.438 123.511 118.700 -1.044 0.000 2.549 212 N HA -0.081 nan 4.740 nan 0.000 0.267 212 N C 0.300 175.665 175.510 -0.242 0.000 1.182 212 N CA -0.398 52.270 53.050 -0.638 0.000 1.019 212 N CB -1.121 37.116 38.487 -0.417 0.000 1.380 212 N HN 0.476 8.307 8.380 -0.914 0.000 0.505 213 E N 4.589 124.694 120.200 -0.158 0.000 2.516 213 E HA -0.203 nan 4.350 nan 0.000 0.199 213 E C 0.213 176.804 176.600 -0.016 0.000 1.069 213 E CA 1.029 57.403 56.400 -0.043 0.000 0.876 213 E CB 0.017 29.723 29.700 0.010 0.000 0.843 213 E HN -0.190 8.052 8.360 -0.196 0.000 0.530 214 G N -0.837 107.958 108.800 -0.009 0.000 2.648 214 G HA2 -0.162 nan 3.960 nan 0.000 0.217 214 G HA3 -0.162 nan 3.960 nan 0.000 0.217 214 G C 0.316 175.216 174.900 0.000 0.000 1.386 214 G CA 0.703 45.806 45.100 0.004 0.000 0.920 214 G HN -0.545 7.831 8.290 -0.020 -0.099 0.540 215 Y N 1.994 122.200 120.300 -0.156 0.000 2.181 215 Y HA -0.455 nan 4.550 nan 0.000 0.279 215 Y C 0.473 176.197 175.900 -0.294 0.000 1.228 215 Y CA 3.675 61.645 58.100 -0.217 0.000 1.164 215 Y CB 0.073 38.448 38.460 -0.142 0.000 0.959 215 Y HN -0.152 8.519 8.280 0.238 -0.248 0.521 216 A N -5.594 117.247 122.820 0.036 0.000 2.469 216 A HA 0.254 nan 4.320 nan 0.000 0.245 216 A C 0.102 177.711 177.584 0.043 0.000 1.221 216 A CA -0.379 51.694 52.037 0.060 0.000 0.946 216 A CB 0.628 19.703 19.000 0.124 0.000 1.049 216 A HN -0.313 7.796 8.150 0.025 0.056 0.529 217 K N 0.116 120.509 120.400 -0.012 0.000 2.002 217 K HA -0.300 nan 4.320 nan 0.000 0.209 217 K C 2.361 178.990 176.600 0.048 0.000 1.048 217 K CA 3.098 59.399 56.287 0.023 0.000 0.930 217 K CB -0.320 32.185 32.500 0.008 0.000 0.714 217 K HN 0.250 8.458 8.250 -0.069 0.000 0.438 218 E N -0.600 119.611 120.200 0.018 0.000 2.017 218 E HA -0.246 nan 4.350 nan 0.000 0.193 218 E C 1.247 177.981 176.600 0.222 0.000 0.997 218 E CA 2.353 58.803 56.400 0.084 0.000 0.804 218 E CB -1.287 28.442 29.700 0.047 0.000 0.757 218 E HN 0.434 8.760 8.360 -0.056 0.000 0.448 219 F N -1.776 118.193 119.950 0.032 0.000 2.583 219 F HA -0.157 nan 4.527 nan 0.000 0.297 219 F C 0.183 176.012 175.800 0.049 0.000 1.131 219 F CA -0.328 57.697 58.000 0.042 0.000 1.467 219 F CB -1.104 37.934 39.000 0.063 0.000 1.097 219 F HN -0.320 8.069 8.300 0.149 0.000 0.586 220 D N -0.928 119.599 120.400 0.212 0.000 2.382 220 D HA 0.111 nan 4.640 nan 0.000 0.240 220 D C -0.547 175.815 176.300 0.102 0.000 1.146 220 D CA -0.129 53.959 54.000 0.147 0.000 0.897 220 D CB 0.448 41.319 40.800 0.118 0.000 1.197 220 D HN -0.443 7.866 8.370 0.188 0.174 0.432 221 P HA 0.153 nan 4.420 nan 0.000 0.219 221 P C -0.256 176.976 177.300 -0.113 0.000 1.149 221 P CA 0.243 63.338 63.100 -0.009 0.000 0.755 221 P CB 1.370 33.049 31.700 -0.034 0.000 1.201 222 A N -1.269 121.368 122.820 -0.306 0.000 1.898 222 A HA -0.096 nan 4.320 nan 0.000 0.216 222 A C 1.885 179.395 177.584 -0.123 0.000 1.181 222 A CA 2.317 53.980 52.037 -0.623 0.000 0.620 222 A CB -0.345 18.041 19.000 -1.024 0.000 0.819 222 A HN 0.200 8.141 8.150 -0.347 0.000 0.442 223 I N -3.280 117.437 120.570 0.246 0.000 2.730 223 I HA -0.466 nan 4.170 nan 0.000 0.266 223 I C 0.685 176.917 176.117 0.193 0.000 1.228 223 I CA 2.420 63.885 61.300 0.275 0.000 1.445 223 I CB -0.010 38.124 38.000 0.223 0.000 1.102 223 I HN -0.310 8.139 8.210 0.399 0.000 0.464 224 T N 1.796 116.416 114.554 0.109 0.000 2.668 224 T HA -0.348 nan 4.350 nan 0.000 0.262 224 T C 1.733 176.474 174.700 0.068 0.000 1.045 224 T CA 4.609 66.758 62.100 0.082 0.000 1.152 224 T CB -0.661 68.243 68.868 0.059 0.000 0.864 224 T HN -0.666 7.548 8.240 0.070 0.068 0.419 225 E N 1.182 121.425 120.200 0.071 0.000 2.204 225 E HA -0.350 nan 4.350 nan 0.000 0.195 225 E C 1.331 177.947 176.600 0.027 0.000 0.990 225 E CA 3.032 59.468 56.400 0.061 0.000 0.821 225 E CB -0.238 29.528 29.700 0.110 0.000 0.750 225 E HN -0.539 7.859 8.360 0.063 0.000 0.477 226 Y N 0.588 120.880 120.300 -0.013 0.000 2.097 226 Y HA -0.388 nan 4.550 nan 0.000 0.282 226 Y C 2.262 178.071 175.900 -0.151 0.000 1.152 226 Y CA 3.401 61.465 58.100 -0.060 0.000 1.136 226 Y CB -0.193 38.241 38.460 -0.042 0.000 0.975 226 Y HN -0.883 7.424 8.280 0.200 0.093 0.498 227 I N -2.810 117.601 120.570 -0.265 0.000 2.208 227 I HA -0.616 nan 4.170 nan 0.000 0.245 227 I C 1.802 177.697 176.117 -0.370 0.000 1.097 227 I CA 3.748 64.804 61.300 -0.405 0.000 1.363 227 I CB -0.165 37.771 38.000 -0.107 0.000 1.051 227 I HN -0.307 7.919 8.210 0.025 0.000 0.413 228 Q N -1.211 118.492 119.800 -0.161 0.000 2.245 228 Q HA -0.256 nan 4.340 nan 0.000 0.201 228 Q C 2.173 178.134 176.000 -0.065 0.000 0.955 228 Q CA 3.057 58.848 55.803 -0.020 0.000 0.870 228 Q CB -0.057 28.719 28.738 0.065 0.000 0.945 228 Q HN -0.251 7.832 8.270 -0.109 0.121 0.461 229 R N -3.086 117.297 120.500 -0.197 0.000 2.276 229 R HA -0.054 nan 4.340 nan 0.000 0.196 229 R C 1.472 177.543 176.300 -0.380 0.000 0.961 229 R CA 1.941 57.922 56.100 -0.198 0.000 1.024 229 R CB -0.237 29.968 30.300 -0.158 0.000 0.940 229 R HN 0.071 8.201 8.270 -0.233 0.000 0.480 230 K N -1.323 118.707 120.400 -0.617 0.000 2.305 230 K HA -0.010 nan 4.320 nan 0.000 0.199 230 K C 0.838 177.141 176.600 -0.495 0.000 1.047 230 K CA 1.136 56.956 56.287 -0.778 0.000 0.976 230 K CB 0.032 31.831 32.500 -1.167 0.000 0.765 230 K HN -0.308 7.404 8.250 -0.661 0.141 0.474 231 K N -0.823 119.357 120.400 -0.367 0.000 2.107 231 K HA -0.032 nan 4.320 nan 0.000 0.211 231 K C 1.044 177.336 176.600 -0.513 0.000 1.024 231 K CA 1.866 57.942 56.287 -0.351 0.000 0.953 231 K CB 0.768 33.086 32.500 -0.304 0.000 0.831 231 K HN -0.376 7.550 8.250 -0.332 0.125 0.454 232 F N 1.603 121.499 119.950 -0.091 0.000 2.466 232 F HA 0.115 nan 4.527 nan 0.000 0.363 232 F C -1.572 174.178 175.800 -0.083 0.000 1.109 232 F CA -2.236 55.725 58.000 -0.065 0.000 1.161 232 F CB -0.324 38.643 39.000 -0.056 0.000 1.117 232 F HN -0.480 7.753 8.300 0.026 0.083 0.539 233 P HA 0.191 nan 4.420 nan 0.000 0.282 233 P C -2.137 175.176 177.300 0.021 0.000 1.274 233 P CA -2.460 60.628 63.100 -0.020 0.000 0.770 233 P CB -0.240 31.448 31.700 -0.020 0.000 0.867 234 P HA -0.029 nan 4.420 nan 0.000 0.235 234 P C -1.252 176.054 177.300 0.009 0.000 1.765 234 P CA -0.360 62.744 63.100 0.007 0.000 1.034 234 P CB -0.635 31.058 31.700 -0.012 0.000 1.984 235 D N 2.014 122.426 120.400 0.020 0.000 3.035 235 D HA -0.027 nan 4.640 nan 0.000 0.341 235 D C -1.281 175.033 176.300 0.024 0.000 1.425 235 D CA 0.430 54.441 54.000 0.018 0.000 0.767 235 D CB 0.895 41.702 40.800 0.012 0.000 1.360 235 D HN 0.090 8.478 8.370 0.032 0.001 0.469 236 N N -0.732 117.980 118.700 0.020 0.000 2.234 236 N HA 0.106 nan 4.740 nan 0.000 0.227 236 N C -1.087 174.435 175.510 0.020 0.000 1.151 236 N CA 0.074 53.136 53.050 0.020 0.000 0.865 236 N CB 0.757 39.255 38.487 0.018 0.000 1.066 236 N HN 0.106 8.497 8.380 0.018 0.000 0.515 237 S N 0.602 116.315 115.700 0.021 0.000 2.562 237 S HA 0.043 nan 4.470 nan 0.000 0.275 237 S C -0.384 174.232 174.600 0.027 0.000 1.281 237 S CA -0.086 58.132 58.200 0.030 0.000 1.045 237 S CB 0.994 64.218 63.200 0.041 0.000 0.962 237 S HN -0.519 7.828 8.310 0.018 -0.025 0.503 238 A N 4.446 127.284 122.820 0.030 0.000 2.406 238 A HA 0.190 nan 4.320 nan 0.000 0.243 238 A C -1.380 176.231 177.584 0.044 0.000 1.082 238 A CA -1.739 50.311 52.037 0.021 0.000 0.786 238 A CB -0.931 18.078 19.000 0.015 0.000 1.029 238 A HN 0.006 8.175 8.150 0.033 0.000 0.495 239 P HA 0.135 nan 4.420 nan 0.000 0.276 239 P C -1.532 175.896 177.300 0.214 0.000 1.252 239 P CA -0.826 62.306 63.100 0.054 0.000 0.802 239 P CB 0.855 32.513 31.700 -0.069 0.000 1.035 240 Y N 0.683 120.984 120.300 0.001 0.000 2.442 240 Y HA -0.098 nan 4.550 nan 0.000 0.330 240 Y C 0.416 176.437 175.900 0.202 0.000 1.129 240 Y CA 0.607 58.775 58.100 0.114 0.000 1.365 240 Y CB 0.239 38.801 38.460 0.170 0.000 1.233 240 Y HN -0.073 8.350 8.280 0.238 0.000 0.529 241 G N 2.174 111.090 108.800 0.192 0.000 2.503 241 G HA2 0.040 nan 3.960 nan 0.000 0.257 241 G HA3 0.040 nan 3.960 nan 0.000 0.257 241 G C -2.011 172.863 174.900 -0.042 0.000 1.214 241 G CA -1.015 44.133 45.100 0.081 0.000 0.839 241 G HN -0.141 8.197 8.290 0.081 0.000 0.559 242 A N 1.885 124.623 122.820 -0.137 0.000 2.340 242 A HA 0.497 nan 4.320 nan 0.000 0.268 242 A C -0.661 176.813 177.584 -0.184 0.000 1.100 242 A CA 0.251 52.078 52.037 -0.350 0.000 0.803 242 A CB 0.615 19.488 19.000 -0.212 0.000 1.043 242 A HN 0.041 8.159 8.150 -0.053 0.000 0.488 243 R N 4.123 124.531 120.500 -0.154 0.000 2.983 243 R HA 0.073 nan 4.340 nan 0.000 0.290 243 R C -2.333 174.013 176.300 0.076 0.000 1.327 243 R CA 0.254 56.336 56.100 -0.031 0.000 1.062 243 R CB 2.103 32.389 30.300 -0.023 0.000 1.307 243 R HN 0.057 8.181 8.270 -0.243 0.000 0.389 244 Y N 3.815 124.080 120.300 -0.059 0.000 2.354 244 Y HA 0.137 nan 4.550 nan 0.000 0.330 244 Y C -1.929 173.955 175.900 -0.027 0.000 1.011 244 Y CA -0.775 57.308 58.100 -0.028 0.000 1.099 244 Y CB 1.696 40.140 38.460 -0.026 0.000 1.179 244 Y HN -0.136 8.206 8.280 0.102 0.000 0.442 245 V N 7.597 127.258 119.914 -0.422 0.000 3.354 245 V HA 0.180 nan 4.120 nan 0.000 0.258 245 V C 0.204 176.044 176.094 -0.423 0.000 1.159 245 V CA 0.682 62.800 62.300 -0.305 0.000 1.125 245 V CB 0.387 32.084 31.823 -0.210 0.000 0.774 245 V HN 0.451 8.913 8.190 -0.520 -0.584 0.464 246 G N -0.667 107.601 108.800 -0.887 0.000 2.137 246 G HA2 -0.349 nan 3.960 nan 0.000 0.237 246 G HA3 -0.349 nan 3.960 nan 0.000 0.237 246 G C -0.857 173.834 174.900 -0.347 0.000 1.002 246 G CA 0.180 44.862 45.100 -0.697 0.000 0.702 246 G HN -0.015 7.752 8.290 -1.263 -0.235 0.515 247 S N -1.439 114.069 115.700 -0.321 0.000 2.542 247 S HA 0.520 nan 4.470 nan 0.000 0.293 247 S C -0.445 174.044 174.600 -0.185 0.000 1.089 247 S CA -2.487 55.611 58.200 -0.169 0.000 0.961 247 S CB 1.757 64.880 63.200 -0.128 0.000 1.062 247 S HN -0.533 7.795 8.310 -0.419 -0.269 0.483 248 M N 5.405 124.950 119.600 -0.091 0.000 2.156 248 M HA -0.168 nan 4.480 nan 0.000 0.264 248 M C 1.051 177.192 176.300 -0.265 0.000 1.067 248 M CA 3.503 58.733 55.300 -0.116 0.000 1.131 248 M CB 0.199 32.817 32.600 0.030 0.000 1.368 248 M HN 0.261 8.917 8.290 -0.041 -0.390 0.416 249 V N -1.176 118.605 119.914 -0.221 0.000 2.270 249 V HA -0.444 nan 4.120 nan 0.000 0.245 249 V C 1.351 177.283 176.094 -0.270 0.000 1.043 249 V CA 4.388 66.494 62.300 -0.322 0.000 1.014 249 V CB -1.226 30.448 31.823 -0.248 0.000 0.645 249 V HN -0.270 8.126 8.190 -0.141 -0.291 0.447 250 A N -1.399 121.310 122.820 -0.185 0.000 1.903 250 A HA -0.490 nan 4.320 nan 0.000 0.219 250 A C 1.787 179.278 177.584 -0.156 0.000 1.191 250 A CA 3.575 55.531 52.037 -0.135 0.000 0.638 250 A CB -0.913 18.015 19.000 -0.121 0.000 0.823 250 A HN -0.329 7.723 8.150 -0.162 0.000 0.451 251 D N -2.180 118.048 120.400 -0.286 0.000 2.149 251 D HA -0.158 nan 4.640 nan 0.000 0.201 251 D C 2.387 178.425 176.300 -0.436 0.000 0.972 251 D CA 3.686 57.468 54.000 -0.364 0.000 0.835 251 D CB 0.116 40.595 40.800 -0.535 0.000 0.966 251 D HN -0.634 7.544 8.370 -0.322 -0.001 0.476 252 V N 0.680 120.297 119.914 -0.495 0.000 2.295 252 V HA -0.430 nan 4.120 nan 0.000 0.246 252 V C 1.825 177.831 176.094 -0.146 0.000 1.049 252 V CA 4.864 66.957 62.300 -0.346 0.000 1.024 252 V CB -0.516 31.099 31.823 -0.346 0.000 0.648 252 V HN 0.275 8.084 8.190 -0.512 0.074 0.447 253 H N 0.512 119.471 119.070 -0.184 0.000 2.289 253 H HA -0.406 nan 4.556 nan 0.000 0.296 253 H C 1.669 176.952 175.328 -0.075 0.000 1.091 253 H CA 4.250 60.272 56.048 -0.043 0.000 1.274 253 H CB 0.146 29.917 29.762 0.015 0.000 1.364 253 H HN -0.181 8.041 8.280 -0.097 0.000 0.490 254 R N -3.344 117.168 120.500 0.021 0.000 2.341 254 R HA -0.267 nan 4.340 nan 0.000 0.213 254 R C 1.985 178.279 176.300 -0.010 0.000 1.082 254 R CA 2.823 58.921 56.100 -0.003 0.000 1.017 254 R CB -0.198 30.163 30.300 0.101 0.000 0.860 254 R HN -0.203 8.098 8.270 0.052 0.000 0.473 255 T N 1.459 115.989 114.554 -0.040 0.000 3.033 255 T HA 0.011 nan 4.350 nan 0.000 0.248 255 T C 1.987 176.660 174.700 -0.046 0.000 1.040 255 T CA 3.347 65.451 62.100 0.005 0.000 1.133 255 T CB 0.068 68.958 68.868 0.037 0.000 0.895 255 T HN -0.252 7.757 8.240 -0.066 0.191 0.465 256 L N 2.171 123.329 121.223 -0.109 0.000 1.989 256 L HA -0.366 nan 4.340 nan 0.000 0.211 256 L C 1.089 177.846 176.870 -0.188 0.000 1.071 256 L CA 3.224 57.983 54.840 -0.135 0.000 0.749 256 L CB -0.185 41.769 42.059 -0.175 0.000 0.890 256 L HN -0.209 7.864 8.230 -0.118 0.087 0.431 257 V N -3.009 116.712 119.914 -0.322 0.000 2.227 257 V HA -0.323 nan 4.120 nan 0.000 0.238 257 V C 2.217 178.141 176.094 -0.283 0.000 1.039 257 V CA 4.082 66.150 62.300 -0.387 0.000 0.990 257 V CB -0.500 30.954 31.823 -0.615 0.000 0.635 257 V HN -0.104 7.857 8.190 -0.381 0.000 0.453 258 Y N -3.579 116.683 120.300 -0.063 0.000 2.516 258 Y HA -0.080 nan 4.550 nan 0.000 0.291 258 Y C -0.134 175.741 175.900 -0.041 0.000 1.131 258 Y CA -0.586 57.487 58.100 -0.045 0.000 1.281 258 Y CB 0.151 38.589 38.460 -0.037 0.000 1.013 258 Y HN -0.740 7.303 8.280 -0.395 0.000 0.554 259 G N -3.011 105.830 108.800 0.067 0.000 3.285 259 G HA2 -0.383 nan 3.960 nan 0.000 0.685 259 G HA3 -0.383 nan 3.960 nan 0.000 0.685 259 G C -1.277 173.662 174.900 0.066 0.000 0.938 259 G CA -0.335 44.796 45.100 0.051 0.000 0.778 259 G HN -0.606 7.594 8.290 0.026 0.105 0.515 260 G N 1.383 110.239 108.800 0.094 0.000 2.474 260 G HA2 0.540 nan 3.960 nan 0.000 0.234 260 G HA3 0.540 nan 3.960 nan 0.000 0.234 260 G C -3.120 171.903 174.900 0.205 0.000 1.204 260 G CA 0.222 45.406 45.100 0.141 0.000 0.939 260 G HN -0.392 7.954 8.290 0.093 0.000 0.491 261 I N 0.067 120.810 120.570 0.290 0.000 2.533 261 I HA 0.927 nan 4.170 nan 0.000 0.290 261 I C -2.903 173.427 176.117 0.356 0.000 1.056 261 I CA -2.582 58.889 61.300 0.285 0.000 1.057 261 I CB 3.214 41.378 38.000 0.273 0.000 1.240 261 I HN -0.250 8.165 8.210 0.342 0.000 0.423 262 F N 9.559 129.591 119.950 0.137 0.000 2.450 262 F HA 0.951 nan 4.527 nan 0.000 0.332 262 F C -2.622 173.248 175.800 0.118 0.000 1.093 262 F CA -2.662 55.424 58.000 0.143 0.000 1.003 262 F CB 3.587 42.659 39.000 0.120 0.000 1.151 262 F HN 0.606 9.115 8.300 0.349 0.000 0.474 263 M N 3.398 122.703 119.600 -0.491 0.000 2.284 263 M HA 0.472 nan 4.480 nan 0.000 0.281 263 M C -2.819 173.149 176.300 -0.554 0.000 1.083 263 M CA -0.366 54.610 55.300 -0.540 0.000 0.965 263 M CB 3.114 35.592 32.600 -0.204 0.000 1.717 263 M HN 0.187 8.325 8.290 -0.253 0.000 0.479 264 Y N 5.251 125.132 120.300 -0.698 0.000 2.488 264 Y HA 0.558 nan 4.550 nan 0.000 0.330 264 Y C -3.034 172.739 175.900 -0.212 0.000 1.013 264 Y CA -3.172 54.707 58.100 -0.369 0.000 1.304 264 Y CB 2.520 40.806 38.460 -0.290 0.000 1.098 264 Y HN 0.760 8.734 8.280 -0.510 0.000 0.498 265 P HA 0.039 nan 4.420 nan 0.000 0.203 265 P C -1.438 175.943 177.300 0.136 0.000 1.206 265 P CA -0.112 63.023 63.100 0.057 0.000 0.896 265 P CB 0.631 32.361 31.700 0.052 0.000 0.728 266 A N -4.609 118.351 122.820 0.233 0.000 4.316 266 A HA -0.254 nan 4.320 nan 0.000 0.176 266 A C 0.789 178.498 177.584 0.210 0.000 1.241 266 A CA 0.156 52.365 52.037 0.286 0.000 1.015 266 A CB -1.814 17.400 19.000 0.357 0.000 0.939 266 A HN 0.161 8.434 8.150 0.205 0.000 0.612 267 N N -0.576 118.224 118.700 0.167 0.000 1.300 267 N HA -0.561 nan 4.740 nan 0.000 0.110 267 N C 1.364 176.886 175.510 0.020 0.000 0.359 267 N CA 3.024 56.130 53.050 0.093 0.000 0.807 267 N CB -0.492 38.052 38.487 0.095 0.000 0.661 267 N HN 0.374 8.864 8.380 0.184 0.000 1.393 268 K N 0.809 121.169 120.400 -0.066 0.000 1.981 268 K HA -0.302 nan 4.320 nan 0.000 0.228 268 K C 0.139 176.710 176.600 -0.048 0.000 1.050 268 K CA 2.112 58.332 56.287 -0.111 0.000 1.001 268 K CB -0.333 32.026 32.500 -0.234 0.000 0.738 268 K HN 0.208 8.388 8.250 -0.117 0.000 0.447 269 K N -0.079 120.308 120.400 -0.022 0.000 2.379 269 K HA -0.045 nan 4.320 nan 0.000 0.284 269 K C -0.886 175.719 176.600 0.007 0.000 1.044 269 K CA 0.599 56.885 56.287 -0.003 0.000 0.974 269 K CB -0.249 32.260 32.500 0.014 0.000 0.962 269 K HN 0.098 8.338 8.250 -0.017 0.000 0.474 270 S N 1.912 117.611 115.700 -0.001 0.000 2.422 270 S HA 0.239 nan 4.470 nan 0.000 0.226 270 S C -1.793 172.801 174.600 -0.010 0.000 1.242 270 S CA -1.888 56.311 58.200 -0.002 0.000 1.231 270 S CB -0.350 62.851 63.200 0.001 0.000 1.067 270 S HN 0.112 8.419 8.310 -0.005 0.000 0.462 271 P HA 0.353 nan 4.420 nan 0.000 0.211 271 P C -0.586 176.683 177.300 -0.050 0.000 1.833 271 P CA -0.841 62.240 63.100 -0.032 0.000 0.938 271 P CB -0.270 31.415 31.700 -0.026 0.000 1.808 272 K N -0.819 119.557 120.400 -0.040 0.000 2.063 272 K HA -0.446 nan 4.320 nan 0.000 0.225 272 K C 0.593 177.153 176.600 -0.066 0.000 0.954 272 K CA 2.838 59.107 56.287 -0.030 0.000 0.988 272 K CB -0.047 32.440 32.500 -0.023 0.000 0.842 272 K HN -0.318 7.851 8.250 -0.030 0.064 0.475 273 G N -6.747 101.908 108.800 -0.242 0.000 2.434 273 G HA2 0.216 nan 3.960 nan 0.000 0.330 273 G HA3 0.216 nan 3.960 nan 0.000 0.330 273 G C -0.589 174.123 174.900 -0.314 0.000 1.155 273 G CA -2.023 42.809 45.100 -0.448 0.000 0.917 273 G HN -0.536 7.586 8.290 -0.280 0.000 0.493 274 K N 2.042 122.373 120.400 -0.115 0.000 2.277 274 K HA -0.381 nan 4.320 nan 0.000 0.206 274 K C -0.242 176.335 176.600 -0.039 0.000 1.044 274 K CA 2.140 58.434 56.287 0.012 0.000 0.932 274 K CB 0.007 32.611 32.500 0.174 0.000 0.726 274 K HN -0.073 8.216 8.250 0.066 0.000 0.473 275 L N -1.502 119.623 121.223 -0.165 0.000 2.485 275 L HA 0.031 nan 4.340 nan 0.000 0.279 275 L C -0.511 176.305 176.870 -0.091 0.000 1.124 275 L CA -0.796 53.992 54.840 -0.086 0.000 0.888 275 L CB -0.739 41.240 42.059 -0.134 0.000 1.217 275 L HN -0.484 7.413 8.230 -0.379 0.105 0.464 276 R N 5.477 125.958 120.500 -0.031 0.000 2.498 276 R HA -0.156 nan 4.340 nan 0.000 0.334 276 R C 0.657 176.825 176.300 -0.219 0.000 1.106 276 R CA -0.516 55.513 56.100 -0.118 0.000 0.995 276 R CB -1.732 28.524 30.300 -0.074 0.000 0.989 276 R HN 0.069 8.538 8.270 0.044 -0.173 0.455 277 L N 6.650 127.762 121.223 -0.185 0.000 2.403 277 L HA -0.518 nan 4.340 nan 0.000 0.237 277 L C 0.187 176.942 176.870 -0.192 0.000 1.138 277 L CA 3.966 58.705 54.840 -0.169 0.000 0.841 277 L CB -0.131 41.840 42.059 -0.147 0.000 0.979 277 L HN -0.086 8.055 8.230 -0.149 0.000 0.435 278 L N -5.264 115.752 121.223 -0.345 0.000 2.291 278 L HA -0.215 nan 4.340 nan 0.000 0.214 278 L C 0.694 177.408 176.870 -0.260 0.000 1.120 278 L CA 2.377 57.022 54.840 -0.325 0.000 0.799 278 L CB -0.434 41.382 42.059 -0.406 0.000 0.925 278 L HN 0.121 8.020 8.230 -0.465 0.052 0.446 279 Y N -9.999 110.251 120.300 -0.083 0.000 2.590 279 Y HA 0.309 nan 4.550 nan 0.000 0.263 279 Y C -0.359 175.508 175.900 -0.055 0.000 1.069 279 Y CA -1.568 56.486 58.100 -0.076 0.000 1.242 279 Y CB 0.656 39.052 38.460 -0.106 0.000 1.357 279 Y HN -0.808 7.123 8.280 -0.582 0.000 0.556 280 E N 1.256 121.557 120.200 0.169 0.000 3.271 280 E HA 0.034 nan 4.350 nan 0.000 0.331 280 E C 1.437 178.058 176.600 0.035 0.000 0.732 280 E CA 0.795 57.266 56.400 0.118 0.000 1.395 280 E CB 1.225 31.000 29.700 0.124 0.000 2.445 280 E HN -0.554 7.826 8.360 0.033 0.000 0.544 281 C N -1.673 117.635 119.300 0.013 0.000 2.385 281 C HA -0.153 nan 4.460 nan 0.000 0.306 281 C C 2.072 177.061 174.990 -0.002 0.000 1.433 281 C CA 1.294 60.319 59.018 0.011 0.000 1.796 281 C CB -2.455 25.278 27.740 -0.011 0.000 1.749 281 C HN 0.433 8.666 8.230 0.005 0.000 0.565 282 N N 1.748 120.434 118.700 -0.024 0.000 2.368 282 N HA 0.161 nan 4.740 nan 0.000 0.178 282 N C -1.093 174.405 175.510 -0.020 0.000 1.021 282 N CA 3.290 56.325 53.050 -0.025 0.000 0.875 282 N CB -1.212 37.247 38.487 -0.047 0.000 1.020 282 N HN 0.316 8.604 8.380 -0.036 0.071 0.433 283 P HA -0.279 nan 4.420 nan 0.000 0.214 283 P C 1.243 178.562 177.300 0.031 0.000 1.163 283 P CA 2.974 66.048 63.100 -0.043 0.000 0.889 283 P CB -0.121 31.512 31.700 -0.111 0.000 0.790 284 M N -3.618 115.992 119.600 0.016 0.000 2.144 284 M HA -0.391 nan 4.480 nan 0.000 0.260 284 M C 1.598 177.936 176.300 0.063 0.000 1.067 284 M CA 2.776 58.091 55.300 0.025 0.000 1.095 284 M CB -0.566 32.035 32.600 0.002 0.000 1.365 284 M HN -0.655 7.634 8.290 -0.002 0.000 0.406 285 A N -1.069 121.792 122.820 0.069 0.000 1.840 285 A HA -0.263 nan 4.320 nan 0.000 0.214 285 A C 1.784 179.451 177.584 0.138 0.000 1.198 285 A CA 2.932 55.019 52.037 0.083 0.000 0.608 285 A CB -1.186 17.852 19.000 0.063 0.000 0.839 285 A HN -0.561 7.501 8.150 0.050 0.118 0.443 286 Y N -0.478 119.819 120.300 -0.005 0.000 2.165 286 Y HA -0.477 nan 4.550 nan 0.000 0.286 286 Y C 2.056 177.958 175.900 0.004 0.000 1.155 286 Y CA 3.128 61.227 58.100 -0.003 0.000 1.164 286 Y CB -0.043 38.405 38.460 -0.020 0.000 0.978 286 Y HN -0.423 7.970 8.280 0.188 0.000 0.513 287 V N -0.663 119.296 119.914 0.075 0.000 2.343 287 V HA -0.406 nan 4.120 nan 0.000 0.247 287 V C 1.365 177.445 176.094 -0.024 0.000 1.051 287 V CA 3.745 66.020 62.300 -0.041 0.000 1.036 287 V CB -0.920 30.947 31.823 0.073 0.000 0.654 287 V HN 0.165 8.441 8.190 0.144 0.000 0.451 288 M N -3.934 115.685 119.600 0.031 0.000 2.117 288 M HA -0.198 nan 4.480 nan 0.000 0.262 288 M C 2.318 178.627 176.300 0.015 0.000 1.065 288 M CA 1.383 56.700 55.300 0.028 0.000 1.114 288 M CB -0.528 32.103 32.600 0.052 0.000 1.361 288 M HN -0.734 7.591 8.290 0.060 0.000 0.408 289 E N 0.933 121.154 120.200 0.036 0.000 2.031 289 E HA -0.328 nan 4.350 nan 0.000 0.193 289 E C 2.370 178.971 176.600 0.003 0.000 0.994 289 E CA 3.478 59.908 56.400 0.049 0.000 0.800 289 E CB -0.196 29.579 29.700 0.125 0.000 0.752 289 E HN 0.166 8.471 8.360 0.062 0.092 0.447 290 K N -4.442 115.914 120.400 -0.075 0.000 2.574 290 K HA -0.169 nan 4.320 nan 0.000 0.193 290 K C 0.055 176.610 176.600 -0.074 0.000 1.035 290 K CA 0.173 56.390 56.287 -0.116 0.000 0.982 290 K CB -0.767 31.557 32.500 -0.294 0.000 0.795 290 K HN -0.041 8.140 8.250 -0.116 0.000 0.491 291 A N -5.065 117.727 122.820 -0.046 0.000 2.571 291 A HA 0.352 nan 4.320 nan 0.000 0.274 291 A C -0.926 176.650 177.584 -0.015 0.000 1.196 291 A CA -0.600 51.417 52.037 -0.034 0.000 0.957 291 A CB 1.434 20.411 19.000 -0.039 0.000 1.150 291 A HN -0.122 7.814 8.150 -0.035 0.193 0.539 292 G N -2.537 106.261 108.800 -0.003 0.000 2.207 292 G HA2 -0.325 nan 3.960 nan 0.000 0.216 292 G HA3 -0.325 nan 3.960 nan 0.000 0.216 292 G C -1.143 173.767 174.900 0.017 0.000 1.053 292 G CA -0.210 44.895 45.100 0.009 0.000 0.764 292 G HN -0.158 8.071 8.290 -0.005 0.058 0.495 293 G N -1.257 107.555 108.800 0.020 0.000 2.417 293 G HA2 0.424 nan 3.960 nan 0.000 0.320 293 G HA3 0.424 nan 3.960 nan 0.000 0.320 293 G C -1.302 173.619 174.900 0.035 0.000 1.204 293 G CA -1.283 43.835 45.100 0.030 0.000 0.923 293 G HN -0.646 7.654 8.290 0.017 0.000 0.466 294 L N 3.579 124.822 121.223 0.033 0.000 2.326 294 L HA 0.097 nan 4.340 nan 0.000 0.278 294 L C -1.556 175.330 176.870 0.027 0.000 1.092 294 L CA -0.303 54.553 54.840 0.026 0.000 0.810 294 L CB 1.788 43.855 42.059 0.014 0.000 1.153 294 L HN -0.263 7.989 8.230 0.036 0.000 0.439 295 A N 3.527 126.361 122.820 0.023 0.000 2.545 295 A HA 0.452 nan 4.320 nan 0.000 0.300 295 A C -2.177 175.405 177.584 -0.004 0.000 1.252 295 A CA -1.057 50.992 52.037 0.020 0.000 0.753 295 A CB 1.580 20.604 19.000 0.040 0.000 1.144 295 A HN 0.253 8.418 8.150 0.025 0.000 0.457 296 T N 5.070 119.604 114.554 -0.033 0.000 2.812 296 T HA 0.489 nan 4.350 nan 0.000 0.282 296 T C 1.166 175.817 174.700 -0.081 0.000 0.990 296 T CA -1.620 60.448 62.100 -0.053 0.000 0.960 296 T CB 2.136 70.963 68.868 -0.068 0.000 0.948 296 T HN 0.260 8.475 8.240 -0.041 0.000 0.438 297 T N 8.817 123.335 114.554 -0.060 0.000 2.897 297 T HA -0.174 nan 4.350 nan 0.000 0.271 297 T C 0.669 175.320 174.700 -0.080 0.000 1.084 297 T CA 2.605 64.667 62.100 -0.063 0.000 1.123 297 T CB -0.037 68.811 68.868 -0.033 0.000 0.865 297 T HN 0.749 8.965 8.240 -0.040 0.000 0.496 298 G N -1.410 107.336 108.800 -0.090 0.000 2.307 298 G HA2 -0.234 nan 3.960 nan 0.000 0.210 298 G HA3 -0.234 nan 3.960 nan 0.000 0.210 298 G C -1.183 173.769 174.900 0.086 0.000 1.005 298 G CA 0.229 45.250 45.100 -0.132 0.000 0.634 298 G HN -0.455 7.751 8.290 -0.071 0.042 0.496 299 K N 0.294 120.739 120.400 0.075 0.000 3.233 299 K HA 0.129 nan 4.320 nan 0.000 0.241 299 K C -0.042 176.576 176.600 0.029 0.000 1.172 299 K CA -0.059 56.272 56.287 0.074 0.000 1.272 299 K CB 0.588 33.129 32.500 0.068 0.000 1.914 299 K HN -0.178 7.998 8.250 0.037 0.096 0.454 300 E N -1.187 119.021 120.200 0.013 0.000 2.421 300 E HA -0.041 nan 4.350 nan 0.000 0.253 300 E C -0.803 175.794 176.600 -0.005 0.000 1.277 300 E CA -0.549 55.854 56.400 0.004 0.000 0.968 300 E CB 0.198 29.898 29.700 0.000 0.000 1.040 300 E HN -0.238 8.130 8.360 0.013 0.000 0.512 301 A N -1.797 121.022 122.820 -0.002 0.000 2.269 301 A HA 0.276 nan 4.320 nan 0.000 0.302 301 A C 0.981 178.564 177.584 -0.001 0.000 1.266 301 A CA -0.499 51.538 52.037 -0.001 0.000 0.894 301 A CB 0.397 19.402 19.000 0.008 0.000 1.147 301 A HN 0.203 8.354 8.150 0.001 0.000 0.537 302 V N 4.388 124.300 119.914 -0.005 0.000 2.546 302 V HA -0.428 nan 4.120 nan 0.000 0.254 302 V C 0.823 176.918 176.094 0.002 0.000 1.076 302 V CA 3.546 65.842 62.300 -0.007 0.000 1.087 302 V CB -0.846 30.972 31.823 -0.008 0.000 0.674 302 V HN 0.411 8.597 8.190 -0.007 0.000 0.470 303 L N -4.833 116.399 121.223 0.015 0.000 2.209 303 L HA -0.120 nan 4.340 nan 0.000 0.207 303 L C 0.113 176.990 176.870 0.011 0.000 1.094 303 L CA 2.095 56.947 54.840 0.020 0.000 0.790 303 L CB 0.373 42.453 42.059 0.036 0.000 0.932 303 L HN -0.342 7.839 8.230 0.017 0.060 0.447 304 D N -0.434 119.971 120.400 0.007 0.000 2.518 304 D HA 0.169 nan 4.640 nan 0.000 0.230 304 D C -1.403 174.894 176.300 -0.005 0.000 1.138 304 D CA 0.352 54.353 54.000 0.002 0.000 0.964 304 D CB -0.791 40.012 40.800 0.005 0.000 1.011 304 D HN -0.334 8.041 8.370 0.008 0.000 0.517 305 I N 0.637 121.201 120.570 -0.010 0.000 2.731 305 I HA -0.009 nan 4.170 nan 0.000 0.289 305 I C -2.082 174.022 176.117 -0.021 0.000 1.399 305 I CA -0.105 61.186 61.300 -0.016 0.000 1.048 305 I CB 4.325 42.314 38.000 -0.018 0.000 1.345 305 I HN -0.793 7.370 8.210 -0.008 0.042 0.425 306 V N 7.535 127.434 119.914 -0.026 0.000 2.465 306 V HA 0.361 nan 4.120 nan 0.000 0.279 306 V C -1.737 174.337 176.094 -0.034 0.000 1.045 306 V CA -3.480 58.799 62.300 -0.035 0.000 0.938 306 V CB 1.218 33.018 31.823 -0.039 0.000 0.986 306 V HN 0.227 8.403 8.190 -0.024 0.000 0.467 307 P HA -0.010 nan 4.420 nan 0.000 0.258 307 P C -0.877 176.404 177.300 -0.031 0.000 1.214 307 P CA 0.451 63.529 63.100 -0.037 0.000 0.872 307 P CB -0.618 31.059 31.700 -0.038 0.000 0.890 308 T N 3.744 118.282 114.554 -0.026 0.000 2.833 308 T HA -0.239 nan 4.350 nan 0.000 0.269 308 T C 0.083 174.776 174.700 -0.013 0.000 1.054 308 T CA 1.857 63.945 62.100 -0.019 0.000 1.135 308 T CB 0.219 69.077 68.868 -0.017 0.000 0.869 308 T HN 0.299 8.667 8.240 -0.028 -0.146 0.466 309 D N -0.334 120.060 120.400 -0.010 0.000 2.736 309 D HA 0.178 nan 4.640 nan 0.000 0.223 309 D C -0.670 175.637 176.300 0.011 0.000 1.231 309 D CA -0.696 53.308 54.000 0.007 0.000 0.818 309 D CB 2.197 43.005 40.800 0.014 0.000 1.587 309 D HN -0.316 8.445 8.370 -0.017 -0.401 0.463 310 I N -1.987 118.613 120.570 0.051 0.000 2.916 310 I HA -0.064 nan 4.170 nan 0.000 0.267 310 I C -0.474 175.692 176.117 0.083 0.000 1.263 310 I CA 1.760 63.103 61.300 0.072 0.000 1.471 310 I CB -0.143 37.955 38.000 0.163 0.000 1.089 310 I HN 0.354 8.597 8.210 0.055 0.000 0.468 311 H N -1.464 117.560 119.070 -0.077 0.000 2.486 311 H HA 0.270 nan 4.556 nan 0.000 0.284 311 H C -0.896 174.380 175.328 -0.085 0.000 1.103 311 H CA -1.498 54.507 56.048 -0.071 0.000 1.089 311 H CB 0.058 29.833 29.762 0.021 0.000 1.603 311 H HN -0.723 7.861 8.280 0.180 -0.196 0.557 312 Q N 1.154 120.919 119.800 -0.059 0.000 2.325 312 Q HA -0.042 nan 4.340 nan 0.000 0.256 312 Q C -0.452 175.493 176.000 -0.092 0.000 1.142 312 Q CA -0.846 54.924 55.803 -0.056 0.000 0.902 312 Q CB -0.268 28.441 28.738 -0.048 0.000 1.350 312 Q HN -0.503 7.655 8.270 -0.072 0.069 0.449 313 R N 2.926 123.389 120.500 -0.061 0.000 2.678 313 R HA -0.064 nan 4.340 nan 0.000 0.264 313 R C -1.037 175.213 176.300 -0.083 0.000 0.995 313 R CA 0.470 56.527 56.100 -0.072 0.000 1.098 313 R CB -0.007 30.269 30.300 -0.039 0.000 0.949 313 R HN -0.016 8.237 8.270 -0.028 0.000 0.422 314 A N 3.143 125.897 122.820 -0.110 0.000 2.560 314 A HA 0.205 nan 4.320 nan 0.000 0.300 314 A C -3.199 174.306 177.584 -0.132 0.000 1.062 314 A CA -1.346 50.632 52.037 -0.100 0.000 0.767 314 A CB 1.294 20.245 19.000 -0.082 0.000 1.288 314 A HN 0.439 8.507 8.150 -0.137 0.000 0.396 315 P HA 0.502 nan 4.420 nan 0.000 0.277 315 P C -1.743 175.478 177.300 -0.131 0.000 1.271 315 P CA -1.266 61.731 63.100 -0.170 0.000 0.795 315 P CB 1.161 32.779 31.700 -0.136 0.000 1.101 316 I N -1.298 119.179 120.570 -0.155 0.000 2.787 316 I HA 0.254 nan 4.170 nan 0.000 0.294 316 I C -2.277 173.729 176.117 -0.185 0.000 1.365 316 I CA -0.701 60.525 61.300 -0.124 0.000 1.029 316 I CB 3.975 41.941 38.000 -0.057 0.000 1.313 316 I HN -0.183 7.910 8.210 -0.195 0.000 0.431 317 I N 6.064 126.544 120.570 -0.150 0.000 2.509 317 I HA 0.977 nan 4.170 nan 0.000 0.293 317 I C -1.838 174.249 176.117 -0.050 0.000 1.020 317 I CA -2.575 58.628 61.300 -0.162 0.000 1.088 317 I CB 1.589 39.456 38.000 -0.221 0.000 1.267 317 I HN -0.044 8.096 8.210 -0.116 0.000 0.430 318 L N 0.650 121.897 121.223 0.040 0.000 2.600 318 L HA 0.909 nan 4.340 nan 0.000 0.257 318 L C -1.760 175.188 176.870 0.130 0.000 1.048 318 L CA -1.317 53.581 54.840 0.097 0.000 0.869 318 L CB 3.081 45.235 42.059 0.158 0.000 1.482 318 L HN 0.890 9.153 8.230 0.054 0.000 0.408 319 G N -2.522 106.340 108.800 0.104 0.000 2.325 319 G HA2 -0.128 nan 3.960 nan 0.000 0.285 319 G HA3 -0.128 nan 3.960 nan 0.000 0.285 319 G C -2.165 172.781 174.900 0.077 0.000 1.303 319 G CA 0.077 45.241 45.100 0.107 0.000 0.970 319 G HN -0.320 8.017 8.290 0.079 0.000 0.490 320 S N -0.894 114.858 115.700 0.086 0.000 2.558 320 S HA 0.118 nan 4.470 nan 0.000 0.291 320 S C -0.866 173.776 174.600 0.070 0.000 1.306 320 S CA -0.653 57.591 58.200 0.073 0.000 1.056 320 S CB -0.500 62.751 63.200 0.085 0.000 0.836 320 S HN -0.059 8.316 8.310 0.108 0.000 0.504 321 P HA -0.204 nan 4.420 nan 0.000 0.214 321 P C 1.369 178.702 177.300 0.055 0.000 1.162 321 P CA 2.797 65.924 63.100 0.045 0.000 0.874 321 P CB 0.192 31.915 31.700 0.037 0.000 0.784 322 E N -3.715 116.525 120.200 0.067 0.000 2.510 322 E HA -0.304 nan 4.350 nan 0.000 0.202 322 E C 1.926 178.590 176.600 0.107 0.000 1.072 322 E CA 2.490 58.937 56.400 0.078 0.000 0.883 322 E CB -0.722 29.025 29.700 0.078 0.000 0.818 322 E HN -0.295 8.104 8.360 0.065 0.000 0.548 323 D N 0.476 120.949 120.400 0.122 0.000 2.652 323 D HA 0.048 nan 4.640 nan 0.000 0.261 323 D C 2.059 178.401 176.300 0.069 0.000 1.024 323 D CA 2.703 56.802 54.000 0.165 0.000 0.958 323 D CB 0.689 41.637 40.800 0.247 0.000 1.113 323 D HN -0.598 7.640 8.370 0.106 0.196 0.471 324 V N 1.465 121.399 119.914 0.033 0.000 2.250 324 V HA -0.529 nan 4.120 nan 0.000 0.253 324 V C 2.223 178.284 176.094 -0.055 0.000 1.065 324 V CA 4.939 67.215 62.300 -0.041 0.000 1.039 324 V CB -0.819 30.996 31.823 -0.014 0.000 0.647 324 V HN 0.425 8.655 8.190 0.067 0.000 0.446 325 T N -0.560 113.990 114.554 -0.006 0.000 2.684 325 T HA -0.383 nan 4.350 nan 0.000 0.267 325 T C 1.582 176.287 174.700 0.009 0.000 1.036 325 T CA 4.754 66.856 62.100 0.003 0.000 1.148 325 T CB -0.438 68.445 68.868 0.025 0.000 0.863 325 T HN 0.267 8.516 8.240 0.016 0.000 0.436 326 E N 0.630 120.854 120.200 0.040 0.000 2.171 326 E HA -0.345 nan 4.350 nan 0.000 0.197 326 E C 2.109 178.722 176.600 0.021 0.000 0.997 326 E CA 2.651 59.097 56.400 0.077 0.000 0.810 326 E CB -0.359 29.442 29.700 0.170 0.000 0.738 326 E HN -0.540 7.781 8.360 0.058 0.074 0.467 327 L N -1.253 119.868 121.223 -0.171 0.000 2.093 327 L HA -0.262 nan 4.340 nan 0.000 0.208 327 L C 1.487 178.275 176.870 -0.138 0.000 1.085 327 L CA 3.038 57.664 54.840 -0.356 0.000 0.755 327 L CB 0.032 41.707 42.059 -0.641 0.000 0.904 327 L HN -0.412 7.598 8.230 -0.169 0.119 0.435 328 L N -1.056 120.128 121.223 -0.066 0.000 2.056 328 L HA -0.417 nan 4.340 nan 0.000 0.207 328 L C 2.143 179.072 176.870 0.098 0.000 1.078 328 L CA 3.676 58.539 54.840 0.039 0.000 0.749 328 L CB -0.614 41.455 42.059 0.017 0.000 0.901 328 L HN -0.556 7.628 8.230 -0.077 0.000 0.433 329 E N -1.357 118.886 120.200 0.073 0.000 2.273 329 E HA -0.333 nan 4.350 nan 0.000 0.198 329 E C 2.548 179.229 176.600 0.135 0.000 1.002 329 E CA 2.723 59.177 56.400 0.090 0.000 0.828 329 E CB -0.815 28.931 29.700 0.076 0.000 0.747 329 E HN -0.589 7.799 8.360 0.047 0.000 0.491 330 I N -0.604 120.071 120.570 0.175 0.000 2.185 330 I HA -0.303 nan 4.170 nan 0.000 0.235 330 I C 1.973 178.248 176.117 0.263 0.000 1.069 330 I CA 2.141 63.592 61.300 0.253 0.000 1.354 330 I CB -0.601 37.570 38.000 0.285 0.000 1.093 330 I HN -0.606 7.540 8.210 0.134 0.143 0.411 331 Y N -0.170 120.136 120.300 0.010 0.000 2.102 331 Y HA -0.520 nan 4.550 nan 0.000 0.280 331 Y C 2.288 178.224 175.900 0.059 0.000 1.178 331 Y CA 3.280 61.380 58.100 -0.001 0.000 1.146 331 Y CB -0.713 37.722 38.460 -0.041 0.000 0.968 331 Y HN 0.046 8.625 8.280 0.498 0.000 0.504 332 Q N -3.589 116.291 119.800 0.132 0.000 2.245 332 Q HA -0.163 nan 4.340 nan 0.000 0.201 332 Q C 1.207 177.243 176.000 0.060 0.000 0.955 332 Q CA 1.033 56.881 55.803 0.074 0.000 0.870 332 Q CB -0.349 28.431 28.738 0.069 0.000 0.945 332 Q HN 0.078 8.454 8.270 0.177 0.000 0.461 333 K N 1.008 121.454 120.400 0.077 0.000 2.535 333 K HA 0.002 nan 4.320 nan 0.000 0.242 333 K C -1.184 175.426 176.600 0.018 0.000 1.210 333 K CA -0.854 55.450 56.287 0.028 0.000 1.178 333 K CB -1.018 31.498 32.500 0.028 0.000 1.778 333 K HN -0.660 7.659 8.250 0.116 0.000 0.372 334 H N -1.107 117.936 119.070 -0.045 0.000 1.797 334 H HA 0.062 nan 4.556 nan 0.000 0.115 334 H C -1.530 173.733 175.328 -0.108 0.000 1.072 334 H CA 0.473 56.474 56.048 -0.078 0.000 0.424 334 H CB 2.124 31.816 29.762 -0.117 0.000 0.319 334 H HN -0.072 8.188 8.280 0.031 0.038 0.211 335 A N 0.000 122.848 122.820 0.047 0.000 2.254 335 A HA 0.000 nan 4.320 nan 0.000 0.244 335 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 335 A CB 0.000 18.887 19.000 -0.188 0.000 0.831 335 A HN 0.000 8.171 8.150 0.035 0.000 0.486