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 3kk1_1_B DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI KKKDSTKWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LXXXXXXXXX XXXXXXMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLSKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQLE 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.336 177.300 0.061 0.000 1.155 4 P CA 0.000 63.132 63.100 0.053 0.000 0.800 4 P CB 0.000 31.725 31.700 0.042 0.000 0.726 5 I N -0.254 120.360 120.570 0.072 0.000 2.693 5 I HA 0.664 4.834 4.170 0.000 0.000 0.303 5 I C 0.116 176.279 176.117 0.077 0.000 1.025 5 I CA -1.243 60.105 61.300 0.080 0.000 1.086 5 I CB 2.489 40.552 38.000 0.104 0.000 1.268 5 I HN 0.364 nan 8.210 nan 0.000 0.440 6 E N 2.611 122.855 120.200 0.074 0.000 2.231 6 E HA 0.219 4.569 4.350 0.000 0.000 0.277 6 E C -0.556 176.095 176.600 0.084 0.000 0.999 6 E CA -0.318 56.124 56.400 0.070 0.000 0.827 6 E CB 1.426 31.162 29.700 0.060 0.000 1.101 6 E HN 0.522 nan 8.360 nan 0.000 0.393 7 T N 3.016 117.618 114.554 0.082 0.000 2.851 7 T HA 0.266 4.616 4.350 0.000 0.000 0.298 7 T C -0.730 174.026 174.700 0.094 0.000 0.977 7 T CA -0.467 61.689 62.100 0.092 0.000 1.126 7 T CB 0.339 69.258 68.868 0.084 0.000 0.916 7 T HN 0.358 nan 8.240 nan 0.000 0.529 8 V N 8.180 128.161 119.914 0.113 0.000 2.407 8 V HA 0.575 4.695 4.120 0.000 0.000 0.278 8 V C -2.393 173.779 176.094 0.130 0.000 1.037 8 V CA -2.179 60.195 62.300 0.124 0.000 0.900 8 V CB 0.944 32.861 31.823 0.157 0.000 0.983 8 V HN 0.806 nan 8.190 nan 0.000 0.459 9 P HA 0.325 nan 4.420 nan 0.000 0.267 9 P C -1.117 176.258 177.300 0.124 0.000 1.200 9 P CA 0.134 63.299 63.100 0.108 0.000 0.772 9 P CB 0.801 32.562 31.700 0.101 0.000 0.855 10 V N 2.202 122.131 119.914 0.026 0.000 3.012 10 V HA 0.570 4.690 4.120 0.000 0.000 0.307 10 V C -0.133 175.910 176.094 -0.085 0.000 1.166 10 V CA -0.783 61.441 62.300 -0.126 0.000 0.974 10 V CB 2.281 33.754 31.823 -0.582 0.000 1.040 10 V HN 0.627 nan 8.190 nan 0.000 0.428 11 K N 2.592 122.980 120.400 -0.021 0.000 2.439 11 K HA 0.807 5.127 4.320 0.000 0.000 0.260 11 K C -1.479 175.222 176.600 0.167 0.000 1.032 11 K CA -0.948 55.428 56.287 0.148 0.000 0.882 11 K CB 2.390 34.974 32.500 0.139 0.000 1.420 11 K HN 0.451 nan 8.250 nan 0.000 0.455 12 L N 1.225 122.548 121.223 0.167 0.000 2.439 12 L HA 0.361 4.701 4.340 0.000 0.000 0.259 12 L C 0.355 177.263 176.870 0.063 0.000 1.129 12 L CA -1.030 53.854 54.840 0.074 0.000 0.803 12 L CB 0.809 42.827 42.059 -0.069 0.000 1.161 12 L HN 0.565 nan 8.230 nan 0.000 0.462 13 K N 1.745 122.173 120.400 0.047 0.000 2.414 13 K HA 0.115 4.435 4.320 0.000 0.000 0.272 13 K C -2.212 174.409 176.600 0.036 0.000 0.993 13 K CA -1.298 55.015 56.287 0.043 0.000 0.964 13 K CB -0.030 32.493 32.500 0.037 0.000 0.925 13 K HN 0.320 nan 8.250 nan 0.000 0.487 14 P HA -0.042 nan 4.420 nan 0.000 0.268 14 P C 0.489 177.807 177.300 0.031 0.000 1.204 14 P CA 0.404 63.525 63.100 0.035 0.000 0.768 14 P CB 0.715 32.434 31.700 0.031 0.000 0.842 15 G N 2.034 110.855 108.800 0.035 0.000 2.179 15 G HA2 -0.219 3.741 3.960 0.000 0.000 0.260 15 G HA3 -0.219 3.741 3.960 0.000 0.000 0.260 15 G C 0.064 174.984 174.900 0.034 0.000 0.977 15 G CA 0.016 45.136 45.100 0.034 0.000 0.641 15 G HN 0.523 nan 8.290 nan 0.000 0.533 16 M N 0.404 120.020 119.600 0.028 0.000 2.436 16 M HA 0.571 5.051 4.480 0.000 0.000 0.331 16 M C -0.829 175.475 176.300 0.007 0.000 1.135 16 M CA -0.847 54.464 55.300 0.019 0.000 0.987 16 M CB 1.857 34.461 32.600 0.007 0.000 1.687 16 M HN 0.059 nan 8.290 nan 0.000 0.445 17 D N 1.006 121.423 120.400 0.029 0.000 2.326 17 D HA 0.570 5.210 4.640 0.000 0.000 0.248 17 D C 0.012 176.302 176.300 -0.016 0.000 1.001 17 D CA 0.065 54.103 54.000 0.064 0.000 0.961 17 D CB 1.823 42.729 40.800 0.177 0.000 1.183 17 D HN 0.729 nan 8.370 nan 0.000 0.502 18 G N 0.883 109.617 108.800 -0.110 0.000 2.699 18 G HA2 0.264 4.224 3.960 0.000 0.000 0.246 18 G HA3 0.264 4.224 3.960 0.000 0.000 0.246 18 G C -2.189 172.773 174.900 0.103 0.000 1.219 18 G CA -0.752 44.140 45.100 -0.347 0.000 0.866 18 G HN 0.428 nan 8.290 nan 0.000 0.572 19 P HA 0.207 nan 4.420 nan 0.000 0.271 19 P C -0.849 176.607 177.300 0.260 0.000 1.216 19 P CA 0.046 63.247 63.100 0.168 0.000 0.776 19 P CB 0.899 32.689 31.700 0.151 0.000 0.881 20 K N 1.797 122.308 120.400 0.185 0.000 2.954 20 K HA 0.347 4.667 4.320 0.000 0.000 0.171 20 K C -0.952 175.715 176.600 0.111 0.000 1.079 20 K CA -0.522 55.852 56.287 0.146 0.000 0.908 20 K CB 1.046 33.611 32.500 0.109 0.000 1.142 20 K HN 0.190 nan 8.250 nan 0.000 0.613 21 V N 1.898 121.881 119.914 0.116 0.000 2.370 21 V HA 0.217 4.338 4.120 0.000 0.000 0.283 21 V C 0.281 176.430 176.094 0.092 0.000 1.023 21 V CA -0.988 61.380 62.300 0.112 0.000 0.857 21 V CB 1.234 33.135 31.823 0.129 0.000 0.985 21 V HN 0.401 nan 8.190 nan 0.000 0.443 22 K N 2.924 123.381 120.400 0.095 0.000 2.448 22 K HA 0.118 4.438 4.320 0.000 0.000 0.278 22 K C 0.192 176.831 176.600 0.066 0.000 1.009 22 K CA -0.115 56.216 56.287 0.074 0.000 0.995 22 K CB 0.569 33.118 32.500 0.082 0.000 0.917 22 K HN 0.688 nan 8.250 nan 0.000 0.481 23 Q N 3.091 122.888 119.800 -0.006 0.000 2.337 23 Q HA 0.024 4.364 4.340 0.000 0.000 0.270 23 Q C -1.239 174.758 176.000 -0.004 0.000 1.002 23 Q CA -0.046 55.685 55.803 -0.120 0.000 0.888 23 Q CB 0.432 29.095 28.738 -0.126 0.000 1.222 23 Q HN 0.420 nan 8.270 nan 0.000 0.400 24 W N 4.022 125.317 121.300 -0.008 0.000 2.359 24 W HA 0.683 5.343 4.660 0.000 0.000 0.344 24 W C -2.386 174.101 176.519 -0.055 0.000 1.170 24 W CA -2.827 54.496 57.345 -0.037 0.000 1.296 24 W CB -0.554 28.872 29.460 -0.056 0.000 1.197 24 W HN 0.526 nan 8.180 nan 0.000 0.618 25 P HA 0.088 nan 4.420 nan 0.000 0.264 25 P C -0.799 176.591 177.300 0.150 0.000 1.193 25 P CA 0.359 63.529 63.100 0.116 0.000 0.763 25 P CB 0.951 32.682 31.700 0.051 0.000 0.810 26 L N 2.539 123.797 121.223 0.058 0.000 2.342 26 L HA 0.409 4.750 4.340 0.000 0.000 0.271 26 L C 1.324 178.195 176.870 0.003 0.000 1.008 26 L CA -0.843 54.025 54.840 0.047 0.000 0.818 26 L CB 1.913 43.975 42.059 0.006 0.000 1.296 26 L HN 0.376 nan 8.230 nan 0.000 0.427 27 T N -2.746 111.807 114.554 -0.000 0.000 2.813 27 T HA 0.032 4.383 4.350 0.000 0.000 0.297 27 T C 0.923 175.598 174.700 -0.041 0.000 1.036 27 T CA -0.341 61.750 62.100 -0.015 0.000 1.044 27 T CB 1.286 70.157 68.868 0.006 0.000 0.993 27 T HN 0.783 nan 8.240 nan 0.000 0.535 28 E N 0.702 120.878 120.200 -0.039 0.000 2.058 28 E HA -0.257 4.093 4.350 0.000 0.000 0.194 28 E C 2.126 178.658 176.600 -0.114 0.000 0.997 28 E CA 1.765 58.128 56.400 -0.062 0.000 0.801 28 E CB -0.175 29.501 29.700 -0.040 0.000 0.746 28 E HN 0.897 nan 8.360 nan 0.000 0.450 29 E N 0.695 120.833 120.200 -0.104 0.000 2.085 29 E HA -0.274 4.076 4.350 0.000 0.000 0.194 29 E C 1.971 178.267 176.600 -0.508 0.000 0.994 29 E CA 1.246 57.528 56.400 -0.198 0.000 0.801 29 E CB -0.227 29.472 29.700 -0.001 0.000 0.743 29 E HN 0.206 nan 8.360 nan 0.000 0.453 30 K N 0.501 120.678 120.400 -0.372 0.000 2.031 30 K HA -0.002 4.318 4.320 0.000 0.000 0.205 30 K C 2.362 178.756 176.600 -0.343 0.000 1.049 30 K CA 1.340 57.364 56.287 -0.439 0.000 0.939 30 K CB -0.131 32.312 32.500 -0.095 0.000 0.717 30 K HN 0.185 nan 8.250 nan 0.000 0.438 31 I N 1.222 121.667 120.570 -0.207 0.000 2.264 31 I HA -0.280 3.890 4.170 0.000 0.000 0.248 31 I C 1.936 177.942 176.117 -0.186 0.000 1.111 31 I CA 1.108 62.315 61.300 -0.154 0.000 1.382 31 I CB -0.138 37.804 38.000 -0.096 0.000 1.060 31 I HN 0.037 nan 8.210 nan 0.000 0.418 32 K N 1.117 121.377 120.400 -0.233 0.000 2.057 32 K HA -0.070 4.250 4.320 0.000 0.000 0.207 32 K C 2.148 178.578 176.600 -0.283 0.000 1.049 32 K CA 1.514 57.668 56.287 -0.222 0.000 0.931 32 K CB -0.652 31.721 32.500 -0.211 0.000 0.714 32 K HN 0.309 nan 8.250 nan 0.000 0.440 33 A N 0.600 123.135 122.820 -0.474 0.000 1.873 33 A HA -0.099 4.221 4.320 0.000 0.000 0.215 33 A C 2.192 179.611 177.584 -0.275 0.000 1.186 33 A CA 1.244 52.975 52.037 -0.509 0.000 0.616 33 A CB -0.704 17.672 19.000 -1.039 0.000 0.823 33 A HN 0.195 nan 8.150 nan 0.000 0.442 34 L N -0.304 120.773 121.223 -0.243 0.000 2.042 34 L HA -0.192 4.148 4.340 0.000 0.000 0.210 34 L C 2.501 179.298 176.870 -0.122 0.000 1.076 34 L CA 1.297 56.046 54.840 -0.151 0.000 0.749 34 L CB -0.542 41.447 42.059 -0.117 0.000 0.893 34 L HN 0.265 nan 8.230 nan 0.000 0.432 35 V N -0.474 119.372 119.914 -0.112 0.000 2.626 35 V HA -0.255 3.865 4.120 0.000 0.000 0.252 35 V C 2.401 178.444 176.094 -0.086 0.000 1.067 35 V CA 1.700 63.955 62.300 -0.075 0.000 1.081 35 V CB -0.384 31.403 31.823 -0.060 0.000 0.686 35 V HN 0.489 nan 8.190 nan 0.000 0.468 36 E N 0.141 120.278 120.200 -0.104 0.000 2.051 36 E HA -0.123 4.227 4.350 0.000 0.000 0.189 36 E C 2.277 178.827 176.600 -0.083 0.000 0.979 36 E CA 0.999 57.348 56.400 -0.085 0.000 0.803 36 E CB -0.053 29.596 29.700 -0.085 0.000 0.761 36 E HN 0.562 nan 8.360 nan 0.000 0.451 37 I N 0.848 121.364 120.570 -0.091 0.000 2.151 37 I HA -0.383 3.787 4.170 0.000 0.000 0.243 37 I C 2.592 178.627 176.117 -0.137 0.000 1.080 37 I CA 1.014 62.263 61.300 -0.085 0.000 1.339 37 I CB -0.279 37.677 38.000 -0.073 0.000 1.039 37 I HN 0.324 nan 8.210 nan 0.000 0.409 38 C N 0.330 119.519 119.300 -0.184 0.000 2.457 38 C HA -0.124 4.336 4.460 0.000 0.000 0.278 38 C C 3.150 177.981 174.990 -0.265 0.000 1.309 38 C CA 1.501 60.328 59.018 -0.319 0.000 1.735 38 C CB -1.246 26.214 27.740 -0.466 0.000 1.992 38 C HN 0.636 nan 8.230 nan 0.000 0.493 39 T N -0.194 114.273 114.554 -0.145 0.000 2.788 39 T HA -0.242 4.108 4.350 0.000 0.000 0.268 39 T C 1.524 176.174 174.700 -0.084 0.000 1.044 39 T CA 2.030 64.082 62.100 -0.079 0.000 1.139 39 T CB -0.355 68.487 68.868 -0.045 0.000 0.867 39 T HN 0.568 nan 8.240 nan 0.000 0.454 40 E N 1.177 121.323 120.200 -0.090 0.000 2.072 40 E HA 0.027 4.377 4.350 0.000 0.000 0.191 40 E C 2.181 178.720 176.600 -0.101 0.000 0.985 40 E CA 1.034 57.390 56.400 -0.074 0.000 0.801 40 E CB -0.473 29.194 29.700 -0.055 0.000 0.750 40 E HN 0.590 nan 8.360 nan 0.000 0.452 41 M N 0.048 119.553 119.600 -0.159 0.000 2.476 41 M HA -0.060 4.420 4.480 0.000 0.000 0.262 41 M C 2.118 178.303 176.300 -0.193 0.000 1.079 41 M CA 1.050 56.218 55.300 -0.219 0.000 1.104 41 M CB -0.030 32.378 32.600 -0.320 0.000 1.409 41 M HN 0.173 nan 8.290 nan 0.000 0.467 42 E N 0.998 121.106 120.200 -0.153 0.000 2.086 42 E HA -0.128 4.222 4.350 0.000 0.000 0.190 42 E C 1.755 178.320 176.600 -0.058 0.000 0.975 42 E CA 0.797 57.144 56.400 -0.089 0.000 0.813 42 E CB 0.277 29.960 29.700 -0.028 0.000 0.768 42 E HN 0.398 nan 8.360 nan 0.000 0.457 43 K N 0.750 121.119 120.400 -0.052 0.000 2.015 43 K HA -0.209 4.112 4.320 0.000 0.000 0.216 43 K C 1.905 178.484 176.600 -0.035 0.000 1.052 43 K CA 1.967 58.233 56.287 -0.035 0.000 0.937 43 K CB -0.164 32.317 32.500 -0.030 0.000 0.719 43 K HN 0.078 nan 8.250 nan 0.000 0.446 44 E N -0.463 119.709 120.200 -0.048 0.000 2.510 44 E HA -0.059 4.292 4.350 0.000 0.000 0.202 44 E C 0.806 177.381 176.600 -0.041 0.000 1.072 44 E CA 0.487 56.864 56.400 -0.037 0.000 0.883 44 E CB -0.095 29.578 29.700 -0.044 0.000 0.818 44 E HN 0.551 nan 8.360 nan 0.000 0.548 45 G N 1.093 109.864 108.800 -0.050 0.000 2.166 45 G HA2 -0.413 3.547 3.960 0.000 0.000 0.260 45 G HA3 -0.413 3.547 3.960 0.000 0.000 0.260 45 G C 0.862 175.728 174.900 -0.058 0.000 0.986 45 G CA 0.969 46.044 45.100 -0.041 0.000 0.683 45 G HN 0.347 nan 8.290 nan 0.000 0.527 46 K N -0.404 119.928 120.400 -0.114 0.000 2.296 46 K HA 0.277 4.597 4.320 0.000 0.000 0.200 46 K C 1.412 177.894 176.600 -0.197 0.000 1.048 46 K CA 1.296 57.488 56.287 -0.159 0.000 0.966 46 K CB 0.175 32.477 32.500 -0.330 0.000 0.754 46 K HN 0.813 nan 8.250 nan 0.000 0.466 47 I N -3.467 116.967 120.570 -0.226 0.000 2.969 47 I HA 0.419 4.589 4.170 0.000 0.000 0.307 47 I C -1.025 175.038 176.117 -0.089 0.000 1.149 47 I CA -0.996 60.157 61.300 -0.245 0.000 1.008 47 I CB 2.532 40.281 38.000 -0.419 0.000 1.232 47 I HN -0.332 nan 8.210 nan 0.000 0.435 48 S N 1.800 117.480 115.700 -0.033 0.000 2.548 48 S HA 0.473 4.943 4.470 0.000 0.000 0.286 48 S C -0.726 173.863 174.600 -0.017 0.000 1.098 48 S CA -0.898 57.303 58.200 0.003 0.000 0.930 48 S CB 1.959 65.135 63.200 -0.041 0.000 1.070 48 S HN 0.514 nan 8.310 nan 0.000 0.480 49 K N 2.168 122.499 120.400 -0.115 0.000 2.382 49 K HA 0.399 4.719 4.320 0.000 0.000 0.275 49 K C 0.031 176.462 176.600 -0.281 0.000 1.009 49 K CA 0.125 56.171 56.287 -0.401 0.000 0.970 49 K CB 0.208 32.484 32.500 -0.374 0.000 0.934 49 K HN 0.592 nan 8.250 nan 0.000 0.479 50 I N -2.419 117.955 120.570 -0.328 0.000 3.264 50 I HA 0.646 4.816 4.170 0.000 0.000 0.315 50 I C -0.053 175.940 176.117 -0.205 0.000 1.154 50 I CA -1.176 59.993 61.300 -0.219 0.000 0.962 50 I CB 1.953 39.843 38.000 -0.184 0.000 1.265 50 I HN 0.586 nan 8.210 nan 0.000 0.463 51 G N 0.516 109.225 108.800 -0.151 0.000 2.613 51 G HA2 0.598 4.558 3.960 0.000 0.000 0.303 51 G HA3 0.598 4.558 3.960 0.000 0.000 0.303 51 G C -2.029 172.799 174.900 -0.120 0.000 1.312 51 G CA -1.276 43.744 45.100 -0.132 0.000 1.036 51 G HN 0.574 nan 8.290 nan 0.000 0.513 52 P HA -0.046 nan 4.420 nan 0.000 0.229 52 P C 1.265 178.508 177.300 -0.095 0.000 1.160 52 P CA 0.864 63.908 63.100 -0.094 0.000 0.777 52 P CB 0.287 31.938 31.700 -0.081 0.000 0.814 53 E N 0.022 120.167 120.200 -0.091 0.000 2.347 53 E HA -0.120 4.230 4.350 0.000 0.000 0.196 53 E C 0.587 177.122 176.600 -0.109 0.000 1.008 53 E CA 0.418 56.764 56.400 -0.091 0.000 0.852 53 E CB -1.107 28.548 29.700 -0.076 0.000 0.783 53 E HN 0.129 nan 8.360 nan 0.000 0.505 54 N N 2.526 121.163 118.700 -0.106 0.000 2.420 54 N HA 0.047 4.787 4.740 0.000 0.000 0.262 54 N C -1.947 173.462 175.510 -0.168 0.000 1.144 54 N CA -1.853 51.131 53.050 -0.111 0.000 0.952 54 N CB 1.437 39.890 38.487 -0.057 0.000 1.081 54 N HN -0.125 nan 8.380 nan 0.000 0.480 55 P HA 0.103 nan 4.420 nan 0.000 0.249 55 P C -0.751 176.298 177.300 -0.417 0.000 1.229 55 P CA 0.544 63.388 63.100 -0.427 0.000 0.788 55 P CB -0.017 31.345 31.700 -0.562 0.000 1.072 56 Y N 0.075 120.380 120.300 0.008 0.000 2.453 56 Y HA 0.603 5.153 4.550 0.000 0.000 0.326 56 Y C 0.749 176.672 175.900 0.038 0.000 1.186 56 Y CA -0.803 57.324 58.100 0.045 0.000 1.200 56 Y CB 0.839 39.351 38.460 0.086 0.000 1.247 56 Y HN -0.232 nan 8.280 nan 0.000 0.482 57 N N -0.995 117.846 118.700 0.235 0.000 2.636 57 N HA 0.538 5.278 4.740 0.000 0.000 0.261 57 N C -1.953 173.646 175.510 0.149 0.000 1.195 57 N CA -0.436 52.708 53.050 0.157 0.000 0.902 57 N CB 1.888 40.428 38.487 0.087 0.000 1.627 57 N HN 0.582 nan 8.380 nan 0.000 0.491 58 T N 2.484 117.113 114.554 0.126 0.000 2.971 58 T HA 0.523 4.873 4.350 0.000 0.000 0.304 58 T C -2.887 171.787 174.700 -0.043 0.000 1.038 58 T CA -0.787 61.348 62.100 0.058 0.000 1.007 58 T CB 2.107 71.010 68.868 0.060 0.000 1.055 58 T HN 0.346 nan 8.240 nan 0.000 0.451 59 P HA 0.358 nan 4.420 nan 0.000 0.272 59 P C -0.839 176.234 177.300 -0.378 0.000 1.223 59 P CA -0.368 62.499 63.100 -0.389 0.000 0.784 59 P CB 0.635 31.885 31.700 -0.750 0.000 0.923 60 V N -0.335 119.339 119.914 -0.401 0.000 2.876 60 V HA 0.827 4.948 4.120 0.000 0.000 0.312 60 V C -0.430 175.618 176.094 -0.076 0.000 1.085 60 V CA -0.768 61.389 62.300 -0.239 0.000 0.945 60 V CB 1.447 33.076 31.823 -0.324 0.000 1.017 60 V HN 0.635 nan 8.190 nan 0.000 0.428 61 F N 1.033 120.825 119.950 -0.264 0.000 3.305 61 F HA 1.088 5.615 4.527 0.000 0.000 0.330 61 F C -0.317 175.457 175.800 -0.043 0.000 1.233 61 F CA -1.498 56.424 58.000 -0.129 0.000 0.962 61 F CB 0.784 39.789 39.000 0.007 0.000 1.540 61 F HN 1.092 nan 8.300 nan 0.000 0.524 62 A N 0.296 123.073 122.820 -0.073 0.000 2.604 62 A HA 0.797 5.117 4.320 0.000 0.000 0.295 62 A C -1.472 176.233 177.584 0.202 0.000 1.067 62 A CA -0.340 51.695 52.037 -0.004 0.000 0.683 62 A CB 1.511 20.586 19.000 0.125 0.000 1.281 62 A HN 1.367 nan 8.150 nan 0.000 0.407 63 I N -1.960 118.711 120.570 0.169 0.000 2.969 63 I HA 0.716 4.886 4.170 0.000 0.000 0.307 63 I C -0.743 175.174 176.117 -0.334 0.000 1.149 63 I CA -0.931 60.368 61.300 -0.002 0.000 1.008 63 I CB 2.442 40.418 38.000 -0.040 0.000 1.232 63 I HN 0.589 nan 8.210 nan 0.000 0.435 64 K N 3.875 123.876 120.400 -0.664 0.000 2.478 64 K HA 0.406 4.726 4.320 0.000 0.000 0.236 64 K C -0.930 175.397 176.600 -0.455 0.000 1.021 64 K CA -0.574 55.139 56.287 -0.956 0.000 1.010 64 K CB 1.005 32.675 32.500 -1.384 0.000 1.331 64 K HN 0.580 nan 8.250 nan 0.000 0.470 65 K N 3.618 123.828 120.400 -0.316 0.000 2.298 65 K HA 0.124 4.444 4.320 0.000 0.000 0.280 65 K C 0.051 176.576 176.600 -0.124 0.000 1.032 65 K CA -0.432 55.745 56.287 -0.182 0.000 0.958 65 K CB 0.730 33.141 32.500 -0.148 0.000 0.978 65 K HN 0.478 nan 8.250 nan 0.000 0.472 66 K N 1.038 121.409 120.400 -0.048 0.000 2.140 66 K HA -0.210 4.110 4.320 0.000 0.000 0.322 66 K C -0.746 175.826 176.600 -0.047 0.000 1.645 66 K CA 1.328 57.620 56.287 0.008 0.000 0.779 66 K CB -0.525 31.991 32.500 0.026 0.000 0.959 66 K HN 0.855 nan 8.250 nan 0.000 0.857 67 D N 1.356 121.735 120.400 -0.035 0.000 2.371 67 D HA 0.205 4.845 4.640 0.000 0.000 0.256 67 D C 0.244 176.505 176.300 -0.065 0.000 1.193 67 D CA 0.509 54.480 54.000 -0.049 0.000 0.881 67 D CB 1.075 41.855 40.800 -0.032 0.000 1.143 67 D HN 0.395 nan 8.370 nan 0.000 0.473 68 S N 0.264 115.906 115.700 -0.097 0.000 2.587 68 S HA 0.386 4.856 4.470 0.000 0.000 0.269 68 S C 0.037 174.573 174.600 -0.108 0.000 1.154 68 S CA -0.647 57.489 58.200 -0.107 0.000 0.824 68 S CB 1.513 64.620 63.200 -0.156 0.000 1.118 68 S HN 0.406 nan 8.310 nan 0.000 0.462 69 T N -0.366 114.153 114.554 -0.057 0.000 3.132 69 T HA 0.409 4.759 4.350 0.000 0.000 0.274 69 T C 0.038 174.771 174.700 0.056 0.000 1.011 69 T CA -0.234 61.874 62.100 0.012 0.000 0.899 69 T CB -0.172 68.725 68.868 0.048 0.000 1.089 69 T HN 0.432 nan 8.240 nan 0.000 0.543 70 K N 0.968 121.346 120.400 -0.037 0.000 2.307 70 K HA 0.509 4.829 4.320 0.000 0.000 0.263 70 K C -1.463 175.093 176.600 -0.073 0.000 0.973 70 K CA -0.845 55.456 56.287 0.024 0.000 0.846 70 K CB 0.983 33.485 32.500 0.004 0.000 1.100 70 K HN 0.194 nan 8.250 nan 0.000 0.438 71 W N 2.665 123.948 121.300 -0.029 0.000 2.448 71 W HA 0.441 5.101 4.660 0.000 0.000 0.339 71 W C 0.324 176.810 176.519 -0.054 0.000 1.124 71 W CA -0.588 56.731 57.345 -0.044 0.000 1.262 71 W CB 0.965 30.397 29.460 -0.047 0.000 1.251 71 W HN 0.190 nan 8.180 nan 0.000 0.597 72 R N 3.008 123.594 120.500 0.144 0.000 2.439 72 R HA 0.194 4.534 4.340 0.000 0.000 0.310 72 R C -0.253 176.049 176.300 0.003 0.000 0.955 72 R CA -0.881 55.246 56.100 0.045 0.000 0.853 72 R CB 1.542 31.824 30.300 -0.031 0.000 1.171 72 R HN 0.572 nan 8.270 nan 0.000 0.449 73 K N 4.035 124.428 120.400 -0.013 0.000 2.382 73 K HA 0.081 4.401 4.320 0.000 0.000 0.275 73 K C -0.938 175.553 176.600 -0.182 0.000 1.009 73 K CA -0.063 56.160 56.287 -0.108 0.000 0.970 73 K CB 0.595 33.040 32.500 -0.091 0.000 0.934 73 K HN 0.260 nan 8.250 nan 0.000 0.479 74 L N 5.914 126.916 121.223 -0.368 0.000 2.471 74 L HA 0.270 4.610 4.340 0.000 0.000 0.263 74 L C -1.155 175.501 176.870 -0.358 0.000 0.985 74 L CA -0.679 53.899 54.840 -0.437 0.000 0.868 74 L CB 1.642 43.161 42.059 -0.900 0.000 1.203 74 L HN 0.379 nan 8.230 nan 0.000 0.429 75 V N 3.456 123.222 119.914 -0.247 0.000 2.432 75 V HA 0.204 4.324 4.120 0.000 0.000 0.275 75 V C 0.272 176.226 176.094 -0.233 0.000 1.043 75 V CA -0.675 61.389 62.300 -0.393 0.000 0.925 75 V CB 1.630 32.975 31.823 -0.796 0.000 0.985 75 V HN 0.601 nan 8.190 nan 0.000 0.466 76 D N 3.814 124.165 120.400 -0.081 0.000 2.402 76 D HA 0.157 4.797 4.640 0.000 0.000 0.235 76 D C 0.067 176.355 176.300 -0.020 0.000 1.226 76 D CA -0.111 53.949 54.000 0.101 0.000 0.918 76 D CB 0.495 41.457 40.800 0.271 0.000 1.043 76 D HN 0.377 nan 8.370 nan 0.000 0.506 77 F N 2.400 122.439 119.950 0.148 0.000 2.695 77 F HA 0.136 4.663 4.527 0.000 0.000 0.303 77 F C 2.157 178.028 175.800 0.118 0.000 1.091 77 F CA -0.241 57.837 58.000 0.130 0.000 1.300 77 F CB 0.128 39.222 39.000 0.157 0.000 1.071 77 F HN 0.433 nan 8.300 nan 0.000 0.578 78 R N -0.213 120.433 120.500 0.244 0.000 2.285 78 R HA -0.143 4.197 4.340 0.000 0.000 0.213 78 R C 1.481 177.851 176.300 0.117 0.000 1.068 78 R CA 1.386 57.572 56.100 0.143 0.000 1.004 78 R CB -0.412 29.908 30.300 0.033 0.000 0.873 78 R HN 0.205 nan 8.270 nan 0.000 0.467 79 E N 1.333 121.618 120.200 0.142 0.000 2.122 79 E HA -0.081 4.269 4.350 0.000 0.000 0.190 79 E C 1.791 178.476 176.600 0.142 0.000 0.977 79 E CA 0.428 56.900 56.400 0.120 0.000 0.820 79 E CB -0.074 29.697 29.700 0.118 0.000 0.770 79 E HN 0.284 nan 8.360 nan 0.000 0.462 80 L N 0.728 122.082 121.223 0.219 0.000 2.141 80 L HA -0.048 4.292 4.340 0.000 0.000 0.209 80 L C 1.386 178.382 176.870 0.210 0.000 1.094 80 L CA 1.577 56.534 54.840 0.194 0.000 0.763 80 L CB -0.521 41.690 42.059 0.253 0.000 0.908 80 L HN 0.081 nan 8.230 nan 0.000 0.437 81 N N 0.096 118.925 118.700 0.214 0.000 2.142 81 N HA -0.190 4.551 4.740 0.000 0.000 0.186 81 N C 1.802 177.373 175.510 0.102 0.000 1.023 81 N CA 1.225 54.353 53.050 0.131 0.000 0.852 81 N CB -0.272 38.268 38.487 0.087 0.000 0.998 81 N HN 0.293 nan 8.380 nan 0.000 0.424 82 K N 0.672 121.132 120.400 0.100 0.000 2.218 82 K HA -0.017 4.303 4.320 0.000 0.000 0.205 82 K C 1.490 178.138 176.600 0.079 0.000 1.046 82 K CA 1.153 57.492 56.287 0.086 0.000 0.933 82 K CB 0.168 32.707 32.500 0.066 0.000 0.728 82 K HN 0.128 nan 8.250 nan 0.000 0.454 83 R N -1.207 119.340 120.500 0.078 0.000 2.335 83 R HA 0.117 4.457 4.340 0.000 0.000 0.210 83 R C 0.010 176.347 176.300 0.062 0.000 0.892 83 R CA 0.089 56.216 56.100 0.046 0.000 1.048 83 R CB 0.793 31.093 30.300 -0.001 0.000 1.067 83 R HN -0.034 nan 8.270 nan 0.000 0.524 84 T N 1.568 116.192 114.554 0.117 0.000 2.913 84 T HA 0.029 4.379 4.350 0.000 0.000 0.297 84 T C -0.025 174.728 174.700 0.088 0.000 1.029 84 T CA -0.363 61.831 62.100 0.155 0.000 1.104 84 T CB 1.264 70.264 68.868 0.220 0.000 0.964 84 T HN 0.006 nan 8.240 nan 0.000 0.532 85 Q N 1.670 121.518 119.800 0.078 0.000 2.394 85 Q HA 0.010 4.350 4.340 0.000 0.000 0.347 85 Q C 0.857 176.953 176.000 0.159 0.000 1.144 85 Q CA 1.365 57.238 55.803 0.117 0.000 1.050 85 Q CB -0.167 28.673 28.738 0.170 0.000 1.188 85 Q HN 0.851 nan 8.270 nan 0.000 0.406 86 D N 4.294 124.774 120.400 0.133 0.000 2.488 86 D HA -0.048 4.593 4.640 0.000 0.000 0.260 86 D C 0.765 177.158 176.300 0.155 0.000 1.273 86 D CA 0.283 54.354 54.000 0.118 0.000 0.912 86 D CB -0.955 39.859 40.800 0.022 0.000 0.982 86 D HN 0.639 nan 8.370 nan 0.000 0.492 87 F N -0.104 119.834 119.950 -0.019 0.000 2.085 87 F HA -0.278 4.249 4.527 0.000 0.000 0.293 87 F C 2.050 177.879 175.800 0.049 0.000 1.062 87 F CA 2.305 60.282 58.000 -0.040 0.000 1.267 87 F CB -0.261 38.646 39.000 -0.154 0.000 1.001 87 F HN 0.654 nan 8.300 nan 0.000 0.492 88 W N 1.210 122.538 121.300 0.046 0.000 2.380 88 W HA -0.127 4.533 4.660 0.000 0.000 0.317 88 W C 1.857 178.369 176.519 -0.011 0.000 1.196 88 W CA 1.878 59.225 57.345 0.002 0.000 1.307 88 W CB -0.988 28.471 29.460 -0.002 0.000 1.157 88 W HN 0.051 nan 8.180 nan 0.000 0.483 89 E N -0.116 119.965 120.200 -0.198 0.000 2.403 89 E HA 0.059 4.410 4.350 0.000 0.000 0.188 89 E C 1.365 177.868 176.600 -0.163 0.000 1.056 89 E CA 0.073 56.265 56.400 -0.346 0.000 0.892 89 E CB 0.548 29.939 29.700 -0.515 0.000 1.049 89 E HN 0.146 nan 8.360 nan 0.000 0.465 90 V N -0.456 119.400 119.914 -0.097 0.000 3.102 90 V HA 0.023 4.143 4.120 0.000 0.000 0.225 90 V C -0.107 175.911 176.094 -0.127 0.000 1.301 90 V CA 0.267 62.503 62.300 -0.106 0.000 1.308 90 V CB 0.912 32.673 31.823 -0.104 0.000 1.129 90 V HN 0.010 nan 8.190 nan 0.000 0.502 91 Q N 1.657 121.343 119.800 -0.190 0.000 2.823 91 Q HA 0.501 4.841 4.340 0.000 0.000 0.370 91 Q C -1.122 174.793 176.000 -0.141 0.000 1.110 91 Q CA 0.306 55.955 55.803 -0.257 0.000 0.990 91 Q CB 0.417 28.800 28.738 -0.592 0.000 1.383 91 Q HN 0.525 nan 8.270 nan 0.000 0.430 92 L N -1.280 119.915 121.223 -0.046 0.000 2.543 92 L HA 0.438 4.778 4.340 0.000 0.000 0.265 92 L C 0.699 177.587 176.870 0.029 0.000 0.945 92 L CA -0.778 54.075 54.840 0.022 0.000 0.869 92 L CB 2.171 44.300 42.059 0.116 0.000 1.294 92 L HN 0.177 nan 8.230 nan 0.000 0.405 93 G N 3.742 112.558 108.800 0.028 0.000 3.496 93 G HA2 0.319 4.279 3.960 0.000 0.000 0.273 93 G HA3 0.319 4.279 3.960 0.000 0.000 0.273 93 G C 0.226 175.165 174.900 0.065 0.000 1.279 93 G CA -0.027 45.092 45.100 0.031 0.000 1.041 93 G HN 0.421 nan 8.290 nan 0.000 0.539 94 I N 2.017 122.650 120.570 0.105 0.000 2.287 94 I HA 0.215 4.386 4.170 0.000 0.000 0.290 94 I C -1.791 174.431 176.117 0.175 0.000 1.069 94 I CA -1.617 59.776 61.300 0.156 0.000 1.237 94 I CB 1.114 39.246 38.000 0.221 0.000 1.418 94 I HN -0.012 nan 8.210 nan 0.000 0.481 95 P HA 0.161 nan 4.420 nan 0.000 0.274 95 P C -0.897 176.521 177.300 0.196 0.000 1.256 95 P CA -0.261 62.931 63.100 0.155 0.000 0.795 95 P CB 0.414 32.173 31.700 0.099 0.000 1.038 96 H N 0.023 119.133 119.070 0.068 0.000 2.504 96 H HA 0.366 4.922 4.556 0.000 0.000 0.322 96 H C -2.141 173.129 175.328 -0.097 0.000 1.055 96 H CA -2.135 53.891 56.048 -0.037 0.000 1.231 96 H CB 0.196 29.932 29.762 -0.043 0.000 1.417 96 H HN 0.163 nan 8.280 nan 0.000 0.472 97 P HA 0.019 nan 4.420 nan 0.000 0.252 97 P C 0.197 177.226 177.300 -0.451 0.000 1.183 97 P CA 0.333 63.171 63.100 -0.436 0.000 0.973 97 P CB 0.150 31.627 31.700 -0.372 0.000 0.990 98 A N 3.615 126.310 122.820 -0.209 0.000 2.070 98 A HA -0.050 4.270 4.320 0.000 0.000 0.220 98 A C 2.207 179.711 177.584 -0.134 0.000 1.159 98 A CA 1.741 53.705 52.037 -0.123 0.000 0.656 98 A CB -0.900 18.075 19.000 -0.041 0.000 0.800 98 A HN 0.522 nan 8.150 nan 0.000 0.453 99 G N -0.730 107.992 108.800 -0.131 0.000 2.551 99 G HA2 0.064 4.025 3.960 0.000 0.000 0.216 99 G HA3 0.064 4.025 3.960 0.000 0.000 0.216 99 G C 1.320 176.147 174.900 -0.122 0.000 1.137 99 G CA 0.754 45.793 45.100 -0.102 0.000 0.798 99 G HN 0.450 nan 8.290 nan 0.000 0.536 100 L N 1.524 122.648 121.223 -0.164 0.000 2.127 100 L HA -0.032 4.308 4.340 0.000 0.000 0.211 100 L C 2.714 179.475 176.870 -0.181 0.000 1.089 100 L CA 2.169 56.919 54.840 -0.150 0.000 0.757 100 L CB -0.310 41.633 42.059 -0.193 0.000 0.899 100 L HN 0.406 nan 8.230 nan 0.000 0.434 101 K N -1.183 119.094 120.400 -0.204 0.000 2.365 101 K HA -0.101 4.219 4.320 0.000 0.000 0.199 101 K C 1.672 178.120 176.600 -0.254 0.000 1.045 101 K CA 1.285 57.423 56.287 -0.249 0.000 0.962 101 K CB -0.214 32.167 32.500 -0.198 0.000 0.759 101 K HN 0.283 nan 8.250 nan 0.000 0.469 102 K N 0.756 121.049 120.400 -0.178 0.000 2.284 102 K HA 0.106 4.426 4.320 0.000 0.000 0.198 102 K C 0.159 176.677 176.600 -0.137 0.000 1.048 102 K CA 0.009 56.211 56.287 -0.141 0.000 0.987 102 K CB 0.256 32.701 32.500 -0.092 0.000 0.800 102 K HN -0.086 nan 8.250 nan 0.000 0.486 103 K N 2.150 122.471 120.400 -0.133 0.000 2.524 103 K HA -0.080 4.240 4.320 0.000 0.000 0.279 103 K C 0.860 177.389 176.600 -0.117 0.000 0.993 103 K CA 0.507 56.736 56.287 -0.096 0.000 1.030 103 K CB 0.724 33.186 32.500 -0.063 0.000 0.891 103 K HN 0.056 nan 8.250 nan 0.000 0.488 104 K N 1.207 121.561 120.400 -0.075 0.000 2.020 104 K HA -0.111 4.209 4.320 0.000 0.000 0.212 104 K C -0.021 176.538 176.600 -0.068 0.000 1.050 104 K CA 1.339 57.590 56.287 -0.060 0.000 0.929 104 K CB 0.173 32.653 32.500 -0.033 0.000 0.714 104 K HN 0.421 nan 8.250 nan 0.000 0.443 105 S N 0.049 115.656 115.700 -0.155 0.000 2.594 105 S HA 0.387 4.858 4.470 0.000 0.000 0.296 105 S C -1.282 173.156 174.600 -0.271 0.000 1.124 105 S CA -0.955 57.049 58.200 -0.328 0.000 1.011 105 S CB 2.312 65.153 63.200 -0.599 0.000 1.016 105 S HN 0.016 nan 8.310 nan 0.000 0.485 106 V N 3.093 122.892 119.914 -0.191 0.000 2.483 106 V HA 0.594 4.714 4.120 0.000 0.000 0.295 106 V C 0.113 176.247 176.094 0.066 0.000 1.035 106 V CA -0.448 61.864 62.300 0.021 0.000 0.896 106 V CB 1.992 33.856 31.823 0.068 0.000 0.986 106 V HN 0.870 nan 8.190 nan 0.000 0.447 107 T N 3.660 118.323 114.554 0.181 0.000 2.855 107 T HA 0.612 4.962 4.350 0.000 0.000 0.281 107 T C -0.482 174.226 174.700 0.012 0.000 1.007 107 T CA -0.399 61.772 62.100 0.119 0.000 1.009 107 T CB 1.821 70.788 68.868 0.165 0.000 0.983 107 T HN 0.365 nan 8.240 nan 0.000 0.455 108 V N 4.008 123.876 119.914 -0.077 0.000 2.435 108 V HA 0.533 4.653 4.120 0.000 0.000 0.290 108 V C -0.733 175.239 176.094 -0.204 0.000 1.030 108 V CA -0.809 61.330 62.300 -0.269 0.000 0.881 108 V CB 1.206 32.829 31.823 -0.333 0.000 0.983 108 V HN 0.587 nan 8.190 nan 0.000 0.445 109 L N 3.339 124.426 121.223 -0.226 0.000 2.342 109 L HA 0.551 4.892 4.340 0.000 0.000 0.271 109 L C -0.025 176.736 176.870 -0.182 0.000 1.008 109 L CA -0.202 54.534 54.840 -0.174 0.000 0.818 109 L CB 1.630 43.595 42.059 -0.156 0.000 1.296 109 L HN 0.575 nan 8.230 nan 0.000 0.427 110 D N 1.364 121.667 120.400 -0.161 0.000 2.564 110 D HA 0.146 4.786 4.640 0.000 0.000 0.226 110 D C 0.206 176.389 176.300 -0.196 0.000 1.149 110 D CA -0.271 53.633 54.000 -0.160 0.000 0.994 110 D CB 0.609 41.326 40.800 -0.138 0.000 1.029 110 D HN 0.259 nan 8.370 nan 0.000 0.517 111 V N 2.127 121.897 119.914 -0.239 0.000 3.111 111 V HA 0.405 4.525 4.120 0.000 0.000 0.381 111 V C 1.517 177.278 176.094 -0.554 0.000 1.387 111 V CA 0.125 62.214 62.300 -0.351 0.000 1.550 111 V CB -0.100 31.518 31.823 -0.341 0.000 1.305 111 V HN 0.323 nan 8.190 nan 0.000 0.494 112 G N 0.350 108.902 108.800 -0.413 0.000 2.394 112 G HA2 -0.152 3.809 3.960 0.000 0.000 0.214 112 G HA3 -0.152 3.809 3.960 0.000 0.000 0.214 112 G C 1.147 175.616 174.900 -0.719 0.000 1.176 112 G CA 0.773 45.604 45.100 -0.449 0.000 0.786 112 G HN 0.507 nan 8.290 nan 0.000 0.533 113 D N 1.102 121.148 120.400 -0.590 0.000 2.172 113 D HA -0.158 4.482 4.640 0.000 0.000 0.196 113 D C 2.776 178.700 176.300 -0.626 0.000 0.999 113 D CA 1.241 54.867 54.000 -0.623 0.000 0.856 113 D CB -0.143 40.505 40.800 -0.252 0.000 0.934 113 D HN 0.284 nan 8.370 nan 0.000 0.453 114 A N -0.202 122.237 122.820 -0.635 0.000 2.076 114 A HA -0.202 4.118 4.320 0.000 0.000 0.220 114 A C 1.909 179.019 177.584 -0.789 0.000 1.160 114 A CA 1.043 52.691 52.037 -0.648 0.000 0.653 114 A CB -0.940 17.594 19.000 -0.776 0.000 0.801 114 A HN 0.413 nan 8.150 nan 0.000 0.455 115 Y N -2.123 117.756 120.300 -0.702 0.000 2.337 115 Y HA -0.102 4.448 4.550 0.000 0.000 0.293 115 Y C 1.794 177.629 175.900 -0.108 0.000 1.123 115 Y CA 0.235 58.033 58.100 -0.504 0.000 1.201 115 Y CB -0.149 38.091 38.460 -0.367 0.000 1.011 115 Y HN 0.322 nan 8.280 nan 0.000 0.545 116 F N -0.012 119.994 119.950 0.093 0.000 2.494 116 F HA -0.168 4.359 4.527 0.000 0.000 0.298 116 F C 2.389 178.249 175.800 0.100 0.000 1.106 116 F CA 0.707 58.774 58.000 0.112 0.000 1.452 116 F CB -1.328 37.728 39.000 0.092 0.000 1.085 116 F HN 0.017 nan 8.300 nan 0.000 0.569 117 S N -1.321 114.513 115.700 0.224 0.000 2.603 117 S HA 0.171 4.641 4.470 0.000 0.000 0.220 117 S C 0.390 175.128 174.600 0.230 0.000 0.967 117 S CA -0.071 58.253 58.200 0.208 0.000 0.920 117 S CB -0.665 62.652 63.200 0.194 0.000 0.773 117 S HN -0.060 nan 8.310 nan 0.000 0.529 118 V N 3.525 123.586 119.914 0.246 0.000 2.604 118 V HA 0.540 4.660 4.120 0.000 0.000 0.305 118 V C -2.463 173.756 176.094 0.208 0.000 1.043 118 V CA -2.236 60.208 62.300 0.240 0.000 0.888 118 V CB 2.146 34.146 31.823 0.295 0.000 0.995 118 V HN 0.163 nan 8.190 nan 0.000 0.429 119 P HA 0.295 nan 4.420 nan 0.000 0.276 119 P C -1.102 176.278 177.300 0.134 0.000 1.244 119 P CA -0.422 62.763 63.100 0.141 0.000 0.801 119 P CB 1.574 33.341 31.700 0.112 0.000 1.006 120 L N 1.926 123.216 121.223 0.112 0.000 2.317 120 L HA 0.304 4.644 4.340 0.000 0.000 0.281 120 L C 0.140 177.058 176.870 0.080 0.000 1.024 120 L CA -0.558 54.334 54.840 0.087 0.000 0.810 120 L CB 1.335 43.424 42.059 0.049 0.000 1.240 120 L HN 0.408 nan 8.230 nan 0.000 0.427 121 D N 3.419 123.868 120.400 0.083 0.000 2.662 121 D HA -0.154 4.486 4.640 0.000 0.000 0.237 121 D C 1.229 177.586 176.300 0.095 0.000 1.154 121 D CA 0.615 54.670 54.000 0.093 0.000 0.861 121 D CB 0.800 41.658 40.800 0.097 0.000 1.146 121 D HN 0.494 nan 8.370 nan 0.000 0.518 122 E N 2.930 123.169 120.200 0.065 0.000 2.147 122 E HA -0.251 4.099 4.350 0.000 0.000 0.199 122 E C 0.771 177.382 176.600 0.019 0.000 1.005 122 E CA 1.338 57.760 56.400 0.036 0.000 0.810 122 E CB 0.107 29.823 29.700 0.026 0.000 0.736 122 E HN 0.605 nan 8.360 nan 0.000 0.460 123 D N -1.286 119.144 120.400 0.050 0.000 2.312 123 D HA -0.085 4.555 4.640 0.000 0.000 0.211 123 D C 1.273 177.576 176.300 0.005 0.000 0.964 123 D CA 0.333 54.350 54.000 0.028 0.000 0.877 123 D CB -0.179 40.668 40.800 0.079 0.000 0.924 123 D HN 0.158 nan 8.370 nan 0.000 0.515 124 F N 0.748 120.641 119.950 -0.094 0.000 2.656 124 F HA 0.143 4.670 4.527 0.000 0.000 0.291 124 F C 1.897 177.570 175.800 -0.210 0.000 1.122 124 F CA 0.115 58.064 58.000 -0.086 0.000 1.427 124 F CB 0.275 39.253 39.000 -0.036 0.000 1.125 124 F HN -0.239 nan 8.300 nan 0.000 0.583 125 R N 1.052 121.488 120.500 -0.107 0.000 2.134 125 R HA -0.244 4.097 4.340 0.000 0.000 0.248 125 R C 1.924 178.083 176.300 -0.235 0.000 1.143 125 R CA 1.930 57.956 56.100 -0.125 0.000 0.957 125 R CB -0.966 29.303 30.300 -0.053 0.000 0.867 125 R HN 0.362 nan 8.270 nan 0.000 0.441 126 K N -0.071 120.110 120.400 -0.365 0.000 2.189 126 K HA -0.202 4.119 4.320 0.000 0.000 0.207 126 K C 1.794 178.172 176.600 -0.370 0.000 1.046 126 K CA 1.826 57.893 56.287 -0.367 0.000 0.928 126 K CB -0.352 31.846 32.500 -0.502 0.000 0.720 126 K HN 0.300 nan 8.250 nan 0.000 0.458 127 Y N 0.786 120.788 120.300 -0.497 0.000 2.546 127 Y HA -0.023 4.527 4.550 0.000 0.000 0.287 127 Y C 2.162 177.874 175.900 -0.313 0.000 1.158 127 Y CA 0.790 58.501 58.100 -0.647 0.000 1.307 127 Y CB -0.308 37.485 38.460 -1.111 0.000 1.036 127 Y HN 0.159 nan 8.280 nan 0.000 0.532 128 T N -2.835 111.695 114.554 -0.040 0.000 3.105 128 T HA 0.519 4.870 4.350 0.000 0.000 0.253 128 T C 0.873 175.840 174.700 0.445 0.000 1.047 128 T CA -0.044 62.203 62.100 0.244 0.000 0.944 128 T CB -0.475 68.497 68.868 0.174 0.000 1.016 128 T HN 0.163 nan 8.240 nan 0.000 0.544 129 A N 1.815 124.782 122.820 0.245 0.000 2.561 129 A HA 0.521 4.842 4.320 0.000 0.000 0.234 129 A C 0.014 177.764 177.584 0.276 0.000 1.055 129 A CA -0.267 51.867 52.037 0.161 0.000 0.756 129 A CB -0.504 18.545 19.000 0.083 0.000 0.986 129 A HN 0.766 nan 8.150 nan 0.000 0.505 130 F N -1.029 118.976 119.950 0.092 0.000 2.726 130 F HA 0.850 5.377 4.527 0.000 0.000 0.324 130 F C -0.328 175.489 175.800 0.028 0.000 1.140 130 F CA -0.964 57.056 58.000 0.033 0.000 0.964 130 F CB 1.353 40.352 39.000 -0.001 0.000 1.399 130 F HN 0.307 nan 8.300 nan 0.000 0.491 131 T N 2.218 116.892 114.554 0.200 0.000 2.965 131 T HA 0.487 4.837 4.350 0.000 0.000 0.306 131 T C -0.616 174.146 174.700 0.105 0.000 0.991 131 T CA -0.313 61.823 62.100 0.060 0.000 1.001 131 T CB 0.899 69.764 68.868 -0.006 0.000 0.984 131 T HN 0.574 nan 8.240 nan 0.000 0.446 132 I N 6.241 126.885 120.570 0.125 0.000 2.379 132 I HA 0.232 4.403 4.170 0.000 0.000 0.290 132 I C -1.723 174.404 176.117 0.017 0.000 1.063 132 I CA -2.008 59.347 61.300 0.092 0.000 1.351 132 I CB 0.742 38.828 38.000 0.142 0.000 1.410 132 I HN 0.296 nan 8.210 nan 0.000 0.505 133 P HA 0.131 nan 4.420 nan 0.000 0.274 133 P C -0.662 176.623 177.300 -0.024 0.000 1.246 133 P CA -0.352 62.733 63.100 -0.024 0.000 0.795 133 P CB 1.098 32.778 31.700 -0.033 0.000 1.006 134 S N 0.326 116.011 115.700 -0.025 0.000 2.648 134 S HA 0.561 5.031 4.470 0.000 0.000 0.305 134 S C 0.217 174.802 174.600 -0.026 0.000 1.094 134 S CA -1.002 57.182 58.200 -0.027 0.000 0.983 134 S CB 0.561 63.745 63.200 -0.027 0.000 1.101 134 S HN 0.289 nan 8.310 nan 0.000 0.514 135 I N 2.355 122.909 120.570 -0.027 0.000 2.556 135 I HA 0.135 4.305 4.170 0.000 0.000 0.284 135 I C 1.014 177.119 176.117 -0.020 0.000 1.114 135 I CA 0.220 61.506 61.300 -0.024 0.000 1.418 135 I CB -0.209 37.776 38.000 -0.025 0.000 1.394 135 I HN 0.975 nan 8.210 nan 0.000 0.552 136 N N 5.226 123.916 118.700 -0.017 0.000 2.708 136 N HA -0.281 4.459 4.740 0.000 0.000 0.251 136 N C -0.106 175.395 175.510 -0.015 0.000 1.123 136 N CA 1.037 54.078 53.050 -0.014 0.000 0.739 136 N CB -1.056 37.423 38.487 -0.013 0.000 1.113 136 N HN 0.835 nan 8.380 nan 0.000 0.561 137 N N -0.696 117.993 118.700 -0.017 0.000 2.725 137 N HA -0.253 4.487 4.740 0.000 0.000 0.251 137 N C 0.596 176.094 175.510 -0.020 0.000 1.031 137 N CA 1.159 54.198 53.050 -0.019 0.000 0.720 137 N CB -0.888 37.590 38.487 -0.016 0.000 0.930 137 N HN 0.791 nan 8.380 nan 0.000 0.543 138 E N -0.362 119.825 120.200 -0.021 0.000 2.274 138 E HA -0.043 4.307 4.350 0.000 0.000 0.194 138 E C -0.171 176.414 176.600 -0.025 0.000 0.996 138 E CA 0.868 57.255 56.400 -0.022 0.000 0.840 138 E CB 0.399 30.086 29.700 -0.022 0.000 0.772 138 E HN 0.285 nan 8.360 nan 0.000 0.491 139 T N 2.037 116.574 114.554 -0.028 0.000 2.906 139 T HA 0.372 4.722 4.350 0.000 0.000 0.295 139 T C -2.666 172.013 174.700 -0.035 0.000 1.061 139 T CA -1.398 60.683 62.100 -0.033 0.000 1.000 139 T CB 1.855 70.702 68.868 -0.036 0.000 1.103 139 T HN 0.017 nan 8.240 nan 0.000 0.486 140 P HA 0.202 nan 4.420 nan 0.000 0.269 140 P C 0.400 177.668 177.300 -0.053 0.000 1.217 140 P CA -0.264 62.808 63.100 -0.046 0.000 0.783 140 P CB 0.100 31.769 31.700 -0.053 0.000 0.898 141 G N 1.739 110.507 108.800 -0.053 0.000 2.414 141 G HA2 0.243 4.203 3.960 0.000 0.000 0.236 141 G HA3 0.243 4.203 3.960 0.000 0.000 0.236 141 G C -0.143 174.700 174.900 -0.094 0.000 1.293 141 G CA -0.361 44.704 45.100 -0.059 0.000 0.869 141 G HN 0.363 nan 8.290 nan 0.000 0.556 142 I N 1.807 122.319 120.570 -0.096 0.000 2.321 142 I HA 0.354 4.524 4.170 0.000 0.000 0.291 142 I C 0.594 176.536 176.117 -0.292 0.000 0.998 142 I CA -0.510 60.675 61.300 -0.192 0.000 1.227 142 I CB 1.308 39.233 38.000 -0.126 0.000 1.368 142 I HN 0.434 nan 8.210 nan 0.000 0.466 143 R N 5.536 125.756 120.500 -0.467 0.000 2.514 143 R HA 0.629 4.969 4.340 0.000 0.000 0.301 143 R C -1.361 174.465 176.300 -0.789 0.000 0.962 143 R CA -0.547 55.263 56.100 -0.483 0.000 0.882 143 R CB 1.892 32.010 30.300 -0.303 0.000 1.143 143 R HN 0.382 nan 8.270 nan 0.000 0.452 144 Y N 0.505 120.384 120.300 -0.701 0.000 2.562 144 Y HA 0.311 4.861 4.550 0.000 0.000 0.343 144 Y C 0.074 175.623 175.900 -0.585 0.000 1.025 144 Y CA -0.866 56.815 58.100 -0.699 0.000 1.082 144 Y CB 2.094 39.998 38.460 -0.927 0.000 1.264 144 Y HN 0.480 nan 8.280 nan 0.000 0.478 145 Q N 0.108 119.808 119.800 -0.166 0.000 2.451 145 Q HA 0.517 4.857 4.340 0.000 0.000 0.281 145 Q C -1.992 174.003 176.000 -0.008 0.000 1.099 145 Q CA -1.042 54.742 55.803 -0.032 0.000 0.806 145 Q CB 2.036 30.756 28.738 -0.030 0.000 1.419 145 Q HN 0.680 nan 8.270 nan 0.000 0.427 146 Y N 0.876 121.219 120.300 0.071 0.000 2.301 146 Y HA 0.216 4.766 4.550 0.000 0.000 0.328 146 Y C 0.552 176.459 175.900 0.012 0.000 1.242 146 Y CA 0.437 58.578 58.100 0.069 0.000 1.323 146 Y CB 1.446 39.959 38.460 0.089 0.000 1.266 146 Y HN 0.826 nan 8.280 nan 0.000 0.527 147 N N -0.452 118.334 118.700 0.143 0.000 2.382 147 N HA 0.106 4.846 4.740 0.000 0.000 0.200 147 N C -0.449 175.141 175.510 0.134 0.000 1.122 147 N CA 0.067 53.172 53.050 0.093 0.000 0.870 147 N CB 0.832 39.339 38.487 0.033 0.000 1.176 147 N HN 0.350 nan 8.380 nan 0.000 0.474 148 V N -0.935 119.103 119.914 0.206 0.000 3.488 148 V HA 0.481 4.602 4.120 0.000 0.000 0.291 148 V C 0.170 176.411 176.094 0.245 0.000 1.163 148 V CA -1.112 61.332 62.300 0.240 0.000 0.971 148 V CB 0.416 32.422 31.823 0.305 0.000 1.245 148 V HN -0.083 nan 8.190 nan 0.000 0.456 149 L N 1.915 123.291 121.223 0.255 0.000 2.360 149 L HA 0.389 4.729 4.340 0.000 0.000 0.276 149 L C -2.323 174.630 176.870 0.139 0.000 1.121 149 L CA -1.318 53.617 54.840 0.158 0.000 0.845 149 L CB 0.540 42.669 42.059 0.118 0.000 1.143 149 L HN 0.476 nan 8.230 nan 0.000 0.452 150 P HA 0.123 nan 4.420 nan 0.000 0.281 150 P C -0.876 176.408 177.300 -0.026 0.000 1.252 150 P CA -0.477 62.410 63.100 -0.355 0.000 0.778 150 P CB 0.596 31.836 31.700 -0.767 0.000 0.895 151 Q N 1.442 121.344 119.800 0.169 0.000 2.349 151 Q HA 0.268 4.608 4.340 0.000 0.000 0.287 151 Q C 1.377 177.518 176.000 0.236 0.000 1.044 151 Q CA 1.215 57.139 55.803 0.202 0.000 0.918 151 Q CB -0.140 28.736 28.738 0.231 0.000 1.242 151 Q HN 0.849 nan 8.270 nan 0.000 0.405 152 G N 1.412 110.336 108.800 0.206 0.000 2.184 152 G HA2 -0.277 3.684 3.960 0.000 0.000 0.264 152 G HA3 -0.277 3.684 3.960 0.000 0.000 0.264 152 G C -0.592 174.501 174.900 0.321 0.000 0.975 152 G CA 0.199 45.477 45.100 0.296 0.000 0.642 152 G HN 0.661 nan 8.290 nan 0.000 0.536 153 W N 1.394 122.602 121.300 -0.154 0.000 2.376 153 W HA 0.652 5.312 4.660 0.000 0.000 0.322 153 W C 1.287 177.615 176.519 -0.317 0.000 1.160 153 W CA -0.784 56.318 57.345 -0.404 0.000 1.218 153 W CB 1.036 30.080 29.460 -0.694 0.000 1.205 153 W HN 0.049 nan 8.180 nan 0.000 0.559 154 K N 2.561 122.501 120.400 -0.767 0.000 2.097 154 K HA -0.098 4.222 4.320 0.000 0.000 0.206 154 K C 1.783 177.738 176.600 -1.074 0.000 1.049 154 K CA 1.969 57.785 56.287 -0.785 0.000 0.933 154 K CB -0.594 31.564 32.500 -0.571 0.000 0.717 154 K HN 0.721 nan 8.250 nan 0.000 0.442 155 G N -0.502 106.973 108.800 -2.208 0.000 2.679 155 G HA2 -0.105 3.855 3.960 0.000 0.000 0.212 155 G HA3 -0.105 3.855 3.960 0.000 0.000 0.212 155 G C 1.146 175.459 174.900 -0.978 0.000 1.137 155 G CA 0.421 44.310 45.100 -2.019 0.000 0.787 155 G HN 0.280 nan 8.290 nan 0.000 0.534 156 S N 1.306 116.579 115.700 -0.713 0.000 2.377 156 S HA -0.017 4.453 4.470 0.000 0.000 0.223 156 S C 0.113 174.410 174.600 -0.505 0.000 1.030 156 S CA 1.079 58.934 58.200 -0.575 0.000 0.970 156 S CB -0.454 62.182 63.200 -0.939 0.000 0.830 156 S HN 0.366 nan 8.310 nan 0.000 0.473 157 P HA 0.081 nan 4.420 nan 0.000 0.219 157 P C 1.209 178.556 177.300 0.078 0.000 1.150 157 P CA 1.105 64.231 63.100 0.045 0.000 0.814 157 P CB -0.049 31.642 31.700 -0.016 0.000 0.787 158 A N 0.773 123.587 122.820 -0.009 0.000 1.855 158 A HA -0.120 4.200 4.320 0.000 0.000 0.215 158 A C 2.281 179.953 177.584 0.147 0.000 1.191 158 A CA 1.363 53.452 52.037 0.087 0.000 0.613 158 A CB -1.440 17.691 19.000 0.219 0.000 0.829 158 A HN 0.001 nan 8.150 nan 0.000 0.442 159 I N -1.652 119.036 120.570 0.196 0.000 2.264 159 I HA -0.188 3.982 4.170 0.000 0.000 0.248 159 I C 2.174 178.427 176.117 0.227 0.000 1.111 159 I CA 1.554 62.995 61.300 0.234 0.000 1.382 159 I CB -1.003 37.132 38.000 0.225 0.000 1.060 159 I HN 0.454 nan 8.210 nan 0.000 0.418 160 F N 1.452 121.460 119.950 0.097 0.000 2.727 160 F HA 0.010 4.537 4.527 0.000 0.000 0.302 160 F C 2.250 178.102 175.800 0.087 0.000 1.097 160 F CA 0.106 58.185 58.000 0.132 0.000 1.330 160 F CB -0.128 39.035 39.000 0.271 0.000 1.084 160 F HN -0.003 nan 8.300 nan 0.000 0.578 161 Q N 1.119 120.966 119.800 0.079 0.000 2.028 161 Q HA -0.314 4.026 4.340 0.000 0.000 0.213 161 Q C 2.340 178.245 176.000 -0.157 0.000 1.017 161 Q CA 3.608 59.403 55.803 -0.013 0.000 0.875 161 Q CB -0.701 28.045 28.738 0.012 0.000 0.962 161 Q HN 0.467 nan 8.270 nan 0.000 0.413 162 S N -0.827 114.784 115.700 -0.148 0.000 2.353 162 S HA -0.174 4.296 4.470 0.000 0.000 0.222 162 S C 2.201 176.643 174.600 -0.264 0.000 1.035 162 S CA 1.439 59.546 58.200 -0.155 0.000 1.025 162 S CB -0.922 62.220 63.200 -0.096 0.000 0.902 162 S HN 0.440 nan 8.310 nan 0.000 0.440 163 S N 1.732 117.181 115.700 -0.420 0.000 2.383 163 S HA -0.081 4.389 4.470 0.000 0.000 0.229 163 S C 1.818 175.992 174.600 -0.710 0.000 1.030 163 S CA 1.661 59.520 58.200 -0.569 0.000 1.002 163 S CB -0.551 62.182 63.200 -0.778 0.000 0.829 163 S HN 0.529 nan 8.310 nan 0.000 0.467 164 M N 1.984 121.080 119.600 -0.841 0.000 2.132 164 M HA -0.052 4.428 4.480 0.000 0.000 0.263 164 M C 1.939 178.072 176.300 -0.278 0.000 1.065 164 M CA 1.639 56.668 55.300 -0.451 0.000 1.122 164 M CB -1.423 31.084 32.600 -0.156 0.000 1.365 164 M HN 0.160 nan 8.290 nan 0.000 0.411 165 T N 0.410 114.830 114.554 -0.223 0.000 2.746 165 T HA -0.152 4.198 4.350 0.000 0.000 0.267 165 T C 1.777 176.382 174.700 -0.159 0.000 1.039 165 T CA 1.825 63.840 62.100 -0.143 0.000 1.142 165 T CB -0.174 68.636 68.868 -0.098 0.000 0.866 165 T HN 0.381 nan 8.240 nan 0.000 0.444 166 K N 0.759 121.045 120.400 -0.189 0.000 2.032 166 K HA 0.030 4.350 4.320 0.000 0.000 0.209 166 K C 2.145 178.596 176.600 -0.248 0.000 1.048 166 K CA 1.207 57.403 56.287 -0.152 0.000 0.927 166 K CB -0.323 32.117 32.500 -0.099 0.000 0.712 166 K HN 0.335 nan 8.250 nan 0.000 0.441 167 I N 0.610 120.900 120.570 -0.465 0.000 2.252 167 I HA -0.247 3.923 4.170 0.000 0.000 0.245 167 I C 2.063 177.888 176.117 -0.487 0.000 1.102 167 I CA 1.074 61.883 61.300 -0.820 0.000 1.385 167 I CB -0.240 37.129 38.000 -1.052 0.000 1.064 167 I HN 0.115 nan 8.210 nan 0.000 0.414 168 L N 0.175 121.220 121.223 -0.296 0.000 2.056 168 L HA -0.172 4.168 4.340 0.000 0.000 0.207 168 L C 2.675 179.519 176.870 -0.043 0.000 1.078 168 L CA 1.024 55.779 54.840 -0.142 0.000 0.749 168 L CB -0.760 41.244 42.059 -0.093 0.000 0.901 168 L HN 0.314 nan 8.230 nan 0.000 0.433 169 E N 0.965 121.122 120.200 -0.072 0.000 2.095 169 E HA -0.261 4.089 4.350 0.000 0.000 0.212 169 E C -0.360 176.237 176.600 -0.005 0.000 1.044 169 E CA 2.468 58.851 56.400 -0.029 0.000 0.857 169 E CB -1.283 28.392 29.700 -0.041 0.000 0.764 169 E HN 0.302 nan 8.360 nan 0.000 0.462 170 P HA -0.105 nan 4.420 nan 0.000 0.218 170 P C 1.407 178.709 177.300 0.004 0.000 1.149 170 P CA 1.035 64.122 63.100 -0.023 0.000 0.817 170 P CB -0.354 31.314 31.700 -0.055 0.000 0.785 171 F N 0.400 120.287 119.950 -0.105 0.000 2.259 171 F HA -0.036 4.491 4.527 0.000 0.000 0.298 171 F C 2.140 177.941 175.800 0.001 0.000 1.088 171 F CA 1.183 59.173 58.000 -0.016 0.000 1.358 171 F CB -0.119 38.888 39.000 0.012 0.000 1.040 171 F HN -0.303 nan 8.300 nan 0.000 0.505 172 R N 0.390 120.974 120.500 0.140 0.000 2.090 172 R HA -0.121 4.219 4.340 0.000 0.000 0.228 172 R C 2.381 178.660 176.300 -0.035 0.000 1.110 172 R CA 1.278 57.419 56.100 0.068 0.000 0.973 172 R CB -0.377 29.976 30.300 0.089 0.000 0.869 172 R HN 0.175 nan 8.270 nan 0.000 0.440 173 K N 0.914 121.293 120.400 -0.034 0.000 2.097 173 K HA -0.222 4.098 4.320 0.000 0.000 0.206 173 K C 1.860 178.415 176.600 -0.073 0.000 1.049 173 K CA 1.650 57.913 56.287 -0.041 0.000 0.933 173 K CB 0.096 32.581 32.500 -0.024 0.000 0.717 173 K HN 0.182 nan 8.250 nan 0.000 0.442 174 Q N -0.052 119.674 119.800 -0.124 0.000 2.398 174 Q HA 0.039 4.379 4.340 0.000 0.000 0.204 174 Q C -0.376 175.503 176.000 -0.202 0.000 0.932 174 Q CA 0.372 56.089 55.803 -0.143 0.000 0.916 174 Q CB 0.513 29.167 28.738 -0.139 0.000 1.024 174 Q HN 0.230 nan 8.270 nan 0.000 0.504 175 N N 0.870 119.403 118.700 -0.278 0.000 2.716 175 N HA 0.160 4.900 4.740 0.000 0.000 0.253 175 N C -2.385 173.054 175.510 -0.119 0.000 1.170 175 N CA -1.014 51.891 53.050 -0.242 0.000 0.807 175 N CB 1.820 40.046 38.487 -0.434 0.000 1.183 175 N HN 0.155 nan 8.380 nan 0.000 0.524 176 P HA 0.001 nan 4.420 nan 0.000 0.224 176 P C 0.337 177.633 177.300 -0.007 0.000 1.157 176 P CA 0.998 64.082 63.100 -0.027 0.000 0.799 176 P CB 0.680 32.365 31.700 -0.025 0.000 0.809 177 D N -0.269 120.126 120.400 -0.008 0.000 2.349 177 D HA 0.100 4.740 4.640 0.000 0.000 0.215 177 D C 0.969 177.287 176.300 0.030 0.000 1.016 177 D CA 0.242 54.247 54.000 0.008 0.000 0.870 177 D CB 0.281 41.084 40.800 0.005 0.000 0.917 177 D HN 0.268 nan 8.370 nan 0.000 0.524 178 I N 1.735 122.330 120.570 0.042 0.000 2.396 178 I HA 0.030 4.200 4.170 0.000 0.000 0.289 178 I C 0.137 176.318 176.117 0.107 0.000 1.056 178 I CA -0.335 61.023 61.300 0.097 0.000 1.365 178 I CB 1.654 39.747 38.000 0.155 0.000 1.407 178 I HN -0.286 nan 8.210 nan 0.000 0.509 179 V N 8.986 128.960 119.914 0.100 0.000 2.370 179 V HA 0.444 4.564 4.120 0.000 0.000 0.279 179 V C -0.103 176.071 176.094 0.133 0.000 1.029 179 V CA -0.333 62.023 62.300 0.092 0.000 0.870 179 V CB 1.150 32.999 31.823 0.043 0.000 0.984 179 V HN 0.489 nan 8.190 nan 0.000 0.451 180 I N 8.339 128.995 120.570 0.144 0.000 2.330 180 I HA 0.384 4.554 4.170 0.000 0.000 0.289 180 I C -1.006 175.234 176.117 0.205 0.000 1.001 180 I CA -0.625 60.767 61.300 0.153 0.000 1.193 180 I CB 1.325 39.385 38.000 0.100 0.000 1.345 180 I HN 0.692 nan 8.210 nan 0.000 0.461 181 Y N 6.454 126.826 120.300 0.120 0.000 2.429 181 Y HA 0.471 5.022 4.550 0.000 0.000 0.342 181 Y C -0.517 175.531 175.900 0.248 0.000 1.004 181 Y CA -0.858 57.327 58.100 0.142 0.000 1.075 181 Y CB 1.667 40.178 38.460 0.086 0.000 1.214 181 Y HN 0.561 nan 8.280 nan 0.000 0.455 182 Q N 5.309 124.668 119.800 -0.735 0.000 2.331 182 Q HA 0.370 4.710 4.340 0.000 0.000 0.267 182 Q C -2.415 173.197 176.000 -0.647 0.000 1.006 182 Q CA -0.813 54.708 55.803 -0.470 0.000 0.818 182 Q CB 1.339 29.974 28.738 -0.171 0.000 1.276 182 Q HN 0.754 nan 8.270 nan 0.000 0.450 183 Y N 7.126 127.263 120.300 -0.271 0.000 2.327 183 Y HA 0.350 4.900 4.550 0.000 0.000 0.325 183 Y C -0.101 175.873 175.900 0.123 0.000 0.999 183 Y CA -0.504 57.569 58.100 -0.044 0.000 1.195 183 Y CB 0.770 39.326 38.460 0.160 0.000 1.132 183 Y HN 0.922 nan 8.280 nan 0.000 0.455 184 M N 1.367 120.697 119.600 -0.449 0.000 7.319 184 M HA -0.390 4.090 4.480 0.000 0.000 0.321 184 M C 0.562 176.921 176.300 0.097 0.000 0.480 184 M CA 2.055 57.220 55.300 -0.225 0.000 1.311 184 M CB -1.376 31.078 32.600 -0.242 0.000 0.421 184 M HN 0.679 nan 8.290 nan 0.000 0.817 185 D N 1.202 121.702 120.400 0.167 0.000 2.378 185 D HA 0.093 4.733 4.640 0.000 0.000 0.227 185 D C -0.162 176.151 176.300 0.021 0.000 1.012 185 D CA 0.786 54.870 54.000 0.140 0.000 0.905 185 D CB -0.279 40.581 40.800 0.101 0.000 0.895 185 D HN 0.334 nan 8.370 nan 0.000 0.532 186 D N 0.336 120.792 120.400 0.094 0.000 2.217 186 D HA 0.287 4.927 4.640 0.000 0.000 0.243 186 D C -0.457 175.826 176.300 -0.028 0.000 1.054 186 D CA -0.558 53.455 54.000 0.021 0.000 0.838 186 D CB 1.857 42.769 40.800 0.186 0.000 1.162 186 D HN -0.152 nan 8.370 nan 0.000 0.472 187 L N 3.318 124.453 121.223 -0.146 0.000 2.280 187 L HA 0.328 4.668 4.340 0.000 0.000 0.287 187 L C -1.280 175.500 176.870 -0.150 0.000 1.023 187 L CA -0.585 54.197 54.840 -0.097 0.000 0.819 187 L CB 0.427 42.415 42.059 -0.118 0.000 1.212 187 L HN 0.295 nan 8.230 nan 0.000 0.420 188 Y N 3.805 124.151 120.300 0.078 0.000 2.326 188 Y HA 0.548 5.098 4.550 0.000 0.000 0.337 188 Y C -0.074 175.894 175.900 0.114 0.000 1.023 188 Y CA -0.546 57.639 58.100 0.141 0.000 1.143 188 Y CB 1.559 40.179 38.460 0.266 0.000 1.183 188 Y HN 0.198 nan 8.280 nan 0.000 0.485 189 V N 3.696 123.727 119.914 0.196 0.000 2.380 189 V HA 0.645 4.765 4.120 0.000 0.000 0.286 189 V C 0.172 176.387 176.094 0.202 0.000 1.015 189 V CA -0.767 61.624 62.300 0.151 0.000 0.834 189 V CB 1.340 33.193 31.823 0.050 0.000 1.009 189 V HN 0.918 nan 8.190 nan 0.000 0.428 190 G N 2.954 111.863 108.800 0.181 0.000 2.420 190 G HA2 0.808 4.768 3.960 0.000 0.000 0.331 190 G HA3 0.808 4.768 3.960 0.000 0.000 0.331 190 G C -0.463 174.537 174.900 0.166 0.000 1.168 190 G CA -0.176 45.020 45.100 0.160 0.000 0.936 190 G HN 0.922 nan 8.290 nan 0.000 0.479 191 S N -0.501 115.303 115.700 0.174 0.000 2.625 191 S HA 0.485 4.955 4.470 0.000 0.000 0.271 191 S C -0.992 173.655 174.600 0.078 0.000 1.161 191 S CA -0.831 57.462 58.200 0.154 0.000 0.820 191 S CB 2.289 65.647 63.200 0.264 0.000 1.137 191 S HN 0.342 nan 8.310 nan 0.000 0.470 192 D N 0.954 121.390 120.400 0.060 0.000 2.525 192 D HA 0.300 4.940 4.640 0.000 0.000 0.229 192 D C -0.027 176.298 176.300 0.042 0.000 1.202 192 D CA 0.006 54.023 54.000 0.028 0.000 0.828 192 D CB 0.094 40.901 40.800 0.012 0.000 1.008 192 D HN 0.417 nan 8.370 nan 0.000 0.493 193 L N 1.056 122.330 121.223 0.086 0.000 2.417 193 L HA 0.133 4.473 4.340 0.000 0.000 0.268 193 L C 1.096 178.011 176.870 0.074 0.000 1.158 193 L CA -0.373 54.522 54.840 0.092 0.000 0.819 193 L CB 0.715 42.861 42.059 0.145 0.000 1.112 193 L HN -0.046 nan 8.230 nan 0.000 0.458 194 E N 2.644 122.878 120.200 0.057 0.000 2.558 194 E HA -0.017 4.333 4.350 0.000 0.000 0.255 194 E C -0.348 176.294 176.600 0.070 0.000 0.968 194 E CA -0.310 56.117 56.400 0.045 0.000 0.939 194 E CB 0.458 30.179 29.700 0.036 0.000 0.921 194 E HN 0.321 nan 8.360 nan 0.000 0.477 195 I N 5.221 125.823 120.570 0.053 0.000 2.845 195 I HA -0.037 4.133 4.170 0.000 0.000 0.290 195 I C 1.458 177.624 176.117 0.081 0.000 1.202 195 I CA 1.406 62.751 61.300 0.075 0.000 1.406 195 I CB -0.131 37.902 38.000 0.055 0.000 1.383 195 I HN 0.955 nan 8.210 nan 0.000 0.549 196 G N 4.172 113.039 108.800 0.112 0.000 3.131 196 G HA2 -0.205 3.756 3.960 0.000 0.000 0.198 196 G HA3 -0.205 3.756 3.960 0.000 0.000 0.198 196 G C 0.784 175.733 174.900 0.082 0.000 1.435 196 G CA -0.133 45.015 45.100 0.081 0.000 1.016 196 G HN 0.499 nan 8.290 nan 0.000 0.499 197 Q N -0.261 119.590 119.800 0.085 0.000 2.123 197 Q HA -0.009 4.331 4.340 0.000 0.000 0.199 197 Q C 2.006 178.063 176.000 0.095 0.000 0.966 197 Q CA 1.596 57.443 55.803 0.073 0.000 0.845 197 Q CB -0.148 28.627 28.738 0.063 0.000 0.907 197 Q HN 0.804 nan 8.270 nan 0.000 0.439 198 H N 1.211 120.305 119.070 0.040 0.000 2.267 198 H HA -0.078 4.479 4.556 0.000 0.000 0.297 198 H C 2.067 177.424 175.328 0.049 0.000 1.080 198 H CA 1.898 57.975 56.048 0.048 0.000 1.278 198 H CB 0.201 29.992 29.762 0.048 0.000 1.365 198 H HN 0.012 nan 8.280 nan 0.000 0.489 199 R N -0.605 119.954 120.500 0.097 0.000 2.091 199 R HA -0.113 4.227 4.340 0.000 0.000 0.238 199 R C 2.380 178.666 176.300 -0.022 0.000 1.136 199 R CA 1.786 57.899 56.100 0.021 0.000 0.959 199 R CB -0.504 29.849 30.300 0.089 0.000 0.856 199 R HN 0.418 nan 8.270 nan 0.000 0.437 200 T N 1.196 115.755 114.554 0.009 0.000 2.699 200 T HA -0.188 4.162 4.350 0.000 0.000 0.268 200 T C 1.756 176.453 174.700 -0.004 0.000 1.036 200 T CA 1.660 63.763 62.100 0.006 0.000 1.147 200 T CB -0.132 68.747 68.868 0.018 0.000 0.862 200 T HN 0.083 nan 8.240 nan 0.000 0.446 201 K N 0.878 121.269 120.400 -0.015 0.000 2.097 201 K HA 0.053 4.373 4.320 0.000 0.000 0.205 201 K C 2.002 178.612 176.600 0.017 0.000 1.050 201 K CA 0.819 57.116 56.287 0.017 0.000 0.938 201 K CB -0.631 31.876 32.500 0.011 0.000 0.718 201 K HN 0.177 nan 8.250 nan 0.000 0.442 202 I N 1.277 121.776 120.570 -0.119 0.000 2.226 202 I HA -0.185 3.986 4.170 0.000 0.000 0.245 202 I C 2.042 178.109 176.117 -0.085 0.000 1.100 202 I CA 1.302 62.518 61.300 -0.140 0.000 1.374 202 I CB -1.140 36.736 38.000 -0.208 0.000 1.057 202 I HN 0.301 nan 8.210 nan 0.000 0.413 203 E N 1.118 121.286 120.200 -0.054 0.000 2.267 203 E HA -0.259 4.091 4.350 0.000 0.000 0.197 203 E C 2.064 178.643 176.600 -0.036 0.000 0.998 203 E CA 1.376 57.753 56.400 -0.039 0.000 0.830 203 E CB -0.183 29.503 29.700 -0.022 0.000 0.751 203 E HN 0.557 nan 8.360 nan 0.000 0.491 204 E N -0.555 119.639 120.200 -0.009 0.000 2.170 204 E HA -0.065 4.285 4.350 0.000 0.000 0.191 204 E C 2.091 178.706 176.600 0.026 0.000 0.981 204 E CA 0.443 56.853 56.400 0.015 0.000 0.830 204 E CB -0.115 29.635 29.700 0.085 0.000 0.775 204 E HN 0.411 nan 8.360 nan 0.000 0.470 205 L N 0.904 122.107 121.223 -0.033 0.000 2.109 205 L HA -0.059 4.281 4.340 0.000 0.000 0.207 205 L C 2.739 179.488 176.870 -0.201 0.000 1.086 205 L CA 1.040 55.657 54.840 -0.371 0.000 0.760 205 L CB -0.140 41.435 42.059 -0.807 0.000 0.910 205 L HN 0.069 nan 8.230 nan 0.000 0.437 206 R N -0.929 119.489 120.500 -0.137 0.000 2.237 206 R HA -0.142 4.198 4.340 0.000 0.000 0.219 206 R C 2.043 178.322 176.300 -0.035 0.000 1.080 206 R CA 0.822 56.870 56.100 -0.086 0.000 0.995 206 R CB 0.085 30.340 30.300 -0.075 0.000 0.875 206 R HN 0.440 nan 8.270 nan 0.000 0.462 207 Q N -0.428 119.347 119.800 -0.042 0.000 2.096 207 Q HA -0.105 4.235 4.340 0.000 0.000 0.197 207 Q C 1.753 177.783 176.000 0.049 0.000 0.964 207 Q CA 1.196 56.983 55.803 -0.027 0.000 0.838 207 Q CB -0.243 28.441 28.738 -0.089 0.000 0.906 207 Q HN 0.512 nan 8.270 nan 0.000 0.444 208 H N 0.256 119.381 119.070 0.092 0.000 2.457 208 H HA 0.042 4.598 4.556 0.000 0.000 0.294 208 H C 1.985 177.416 175.328 0.172 0.000 1.064 208 H CA 0.659 56.809 56.048 0.170 0.000 1.330 208 H CB 0.121 29.963 29.762 0.134 0.000 1.395 208 H HN 0.134 nan 8.280 nan 0.000 0.541 209 L N 0.066 121.382 121.223 0.155 0.000 2.270 209 L HA -0.045 4.295 4.340 0.000 0.000 0.210 209 L C 2.015 178.974 176.870 0.148 0.000 1.104 209 L CA 0.310 55.201 54.840 0.084 0.000 0.804 209 L CB -0.093 41.940 42.059 -0.043 0.000 0.937 209 L HN 0.199 nan 8.230 nan 0.000 0.450 210 L N -0.807 120.495 121.223 0.133 0.000 2.465 210 L HA -0.129 4.211 4.340 0.000 0.000 0.224 210 L C 2.376 179.351 176.870 0.174 0.000 1.145 210 L CA 0.488 55.399 54.840 0.118 0.000 0.834 210 L CB -0.353 41.747 42.059 0.068 0.000 0.944 210 L HN 0.172 nan 8.230 nan 0.000 0.451 211 R N -0.822 119.857 120.500 0.298 0.000 2.193 211 R HA -0.077 4.263 4.340 0.000 0.000 0.213 211 R C 1.898 178.299 176.300 0.169 0.000 1.055 211 R CA 1.235 57.487 56.100 0.253 0.000 0.995 211 R CB 0.031 30.557 30.300 0.376 0.000 0.893 211 R HN 0.408 nan 8.270 nan 0.000 0.459 212 W N -0.633 120.694 121.300 0.045 0.000 2.699 212 W HA 0.325 4.985 4.660 0.000 0.000 0.265 212 W C 0.597 177.142 176.519 0.043 0.000 1.210 212 W CA 0.674 58.047 57.345 0.047 0.000 1.414 212 W CB 0.299 29.794 29.460 0.059 0.000 1.043 212 W HN 0.209 nan 8.180 nan 0.000 0.599 213 G N 1.650 110.609 108.800 0.266 0.000 2.712 213 G HA2 -0.160 3.800 3.960 0.000 0.000 0.683 213 G HA3 -0.160 3.800 3.960 0.000 0.000 0.683 213 G C -1.494 173.469 174.900 0.103 0.000 1.320 213 G CA -0.490 44.694 45.100 0.142 0.000 0.847 213 G HN 0.132 nan 8.290 nan 0.000 0.553 231 G N -0.635 108.110 108.800 -0.092 0.000 2.280 231 G HA2 0.124 4.084 3.960 0.000 0.000 0.277 231 G HA3 0.124 4.084 3.960 0.000 0.000 0.277 231 G C -1.018 173.795 174.900 -0.144 0.000 1.288 231 G CA -0.131 44.956 45.100 -0.022 0.000 1.075 231 G HN 1.037 nan 8.290 nan 0.000 0.480 232 Y N 0.974 121.282 120.300 0.012 0.000 2.342 232 Y HA 0.563 5.113 4.550 0.000 0.000 0.259 232 Y C 1.515 177.426 175.900 0.018 0.000 1.049 232 Y CA 1.424 59.533 58.100 0.016 0.000 1.059 232 Y CB -0.050 38.433 38.460 0.040 0.000 1.026 232 Y HN 0.655 nan 8.280 nan 0.000 0.473 233 E N -0.119 120.217 120.200 0.227 0.000 2.367 233 E HA 0.345 4.695 4.350 0.000 0.000 0.292 233 E C -2.125 174.392 176.600 -0.139 0.000 0.900 233 E CA -0.423 55.999 56.400 0.037 0.000 0.807 233 E CB 0.659 30.391 29.700 0.054 0.000 1.337 233 E HN 0.015 nan 8.360 nan 0.000 0.394 234 L N 4.308 125.422 121.223 -0.182 0.000 2.312 234 L HA 0.340 4.680 4.340 0.000 0.000 0.281 234 L C -0.283 176.260 176.870 -0.544 0.000 1.070 234 L CA -0.189 54.561 54.840 -0.150 0.000 0.805 234 L CB 0.948 43.068 42.059 0.102 0.000 1.174 234 L HN 0.580 nan 8.230 nan 0.000 0.434 235 H N 4.055 123.110 119.070 -0.026 0.000 2.423 235 H HA 0.235 4.792 4.556 0.000 0.000 0.237 235 H C -1.896 173.148 175.328 -0.473 0.000 1.391 235 H CA -1.547 54.395 56.048 -0.176 0.000 1.453 235 H CB 0.796 30.511 29.762 -0.079 0.000 1.484 235 H HN 0.420 nan 8.280 nan 0.000 0.505 236 P HA -0.155 nan 4.420 nan 0.000 0.216 236 P C 1.304 178.038 177.300 -0.944 0.000 1.150 236 P CA 1.144 63.291 63.100 -1.587 0.000 0.837 236 P CB 0.468 31.477 31.700 -1.152 0.000 0.786 237 D N -1.218 118.919 120.400 -0.439 0.000 2.338 237 D HA -0.015 4.625 4.640 0.000 0.000 0.239 237 D C 0.986 177.225 176.300 -0.102 0.000 1.095 237 D CA 0.535 54.406 54.000 -0.215 0.000 0.888 237 D CB -0.089 40.628 40.800 -0.139 0.000 0.899 237 D HN 0.131 nan 8.370 nan 0.000 0.525 238 K N -1.083 119.258 120.400 -0.097 0.000 2.373 238 K HA 0.082 4.402 4.320 0.000 0.000 0.200 238 K C 0.275 177.007 176.600 0.220 0.000 1.054 238 K CA -0.580 55.739 56.287 0.052 0.000 1.065 238 K CB 0.735 33.271 32.500 0.061 0.000 0.886 238 K HN -0.030 nan 8.250 nan 0.000 0.546 239 W N 1.505 122.845 121.300 0.066 0.000 2.160 239 W HA 0.146 4.806 4.660 0.000 0.000 0.352 239 W C 0.854 177.409 176.519 0.060 0.000 1.288 239 W CA 0.043 57.434 57.345 0.076 0.000 1.279 239 W CB 0.057 29.557 29.460 0.067 0.000 1.181 239 W HN -0.162 nan 8.180 nan 0.000 0.593 240 T N -0.534 114.197 114.554 0.294 0.000 2.749 240 T HA 0.470 4.820 4.350 0.000 0.000 0.310 240 T C -1.260 173.515 174.700 0.125 0.000 1.496 240 T CA -0.662 61.544 62.100 0.177 0.000 1.006 240 T CB 0.721 69.670 68.868 0.135 0.000 1.457 240 T HN 0.456 nan 8.240 nan 0.000 0.497 241 V N 1.558 121.529 119.914 0.094 0.000 2.617 241 V HA 0.849 4.969 4.120 0.000 0.000 0.298 241 V C -0.353 175.774 176.094 0.055 0.000 1.048 241 V CA -0.686 61.651 62.300 0.062 0.000 0.964 241 V CB 1.454 33.325 31.823 0.080 0.000 1.004 241 V HN 0.808 nan 8.190 nan 0.000 0.466 242 Q N 5.843 125.660 119.800 0.028 0.000 2.465 242 Q HA 0.507 4.848 4.340 0.000 0.000 0.237 242 Q C -2.477 173.593 176.000 0.117 0.000 1.051 242 Q CA -2.170 53.670 55.803 0.061 0.000 0.874 242 Q CB 1.024 29.784 28.738 0.036 0.000 1.207 242 Q HN 0.787 nan 8.270 nan 0.000 0.508 243 P HA 0.113 nan 4.420 nan 0.000 0.274 243 P C -0.185 177.218 177.300 0.172 0.000 1.231 243 P CA -0.155 63.034 63.100 0.149 0.000 0.790 243 P CB 0.950 32.706 31.700 0.094 0.000 0.951 244 I N 1.068 121.762 120.570 0.207 0.000 2.813 244 I HA 0.143 4.313 4.170 0.000 0.000 0.287 244 I C 0.841 177.016 176.117 0.096 0.000 1.196 244 I CA 0.224 61.637 61.300 0.188 0.000 1.421 244 I CB 0.626 38.750 38.000 0.207 0.000 1.365 244 I HN 0.117 nan 8.210 nan 0.000 0.591 245 V N 7.222 127.197 119.914 0.101 0.000 2.932 245 V HA 0.488 4.608 4.120 0.000 0.000 0.307 245 V C -0.914 175.231 176.094 0.084 0.000 1.147 245 V CA -0.598 61.745 62.300 0.072 0.000 0.951 245 V CB 2.262 34.129 31.823 0.074 0.000 1.031 245 V HN 0.507 nan 8.190 nan 0.000 0.426 246 L N 6.974 128.242 121.223 0.076 0.000 2.334 246 L HA 0.630 4.970 4.340 0.000 0.000 0.275 246 L C -2.124 174.831 176.870 0.141 0.000 1.036 246 L CA -1.791 53.115 54.840 0.111 0.000 0.807 246 L CB 1.908 44.023 42.059 0.093 0.000 1.231 246 L HN 0.522 nan 8.230 nan 0.000 0.438 247 P HA 0.093 nan 4.420 nan 0.000 0.271 247 P C -1.316 176.123 177.300 0.231 0.000 1.218 247 P CA -0.303 62.885 63.100 0.147 0.000 0.780 247 P CB 0.646 32.402 31.700 0.095 0.000 0.901 248 E N 2.635 122.895 120.200 0.101 0.000 2.129 248 E HA 0.413 4.763 4.350 0.000 0.000 0.268 248 E C -0.703 175.860 176.600 -0.062 0.000 0.900 248 E CA -0.872 55.612 56.400 0.141 0.000 0.755 248 E CB 1.676 31.439 29.700 0.105 0.000 1.117 248 E HN 0.387 nan 8.360 nan 0.000 0.410 249 K N 2.282 122.586 120.400 -0.160 0.000 2.328 249 K HA 0.252 4.572 4.320 0.000 0.000 0.246 249 K C -0.415 176.086 176.600 -0.165 0.000 0.955 249 K CA -0.869 55.118 56.287 -0.500 0.000 0.817 249 K CB 1.756 33.367 32.500 -1.482 0.000 1.208 249 K HN 0.290 nan 8.250 nan 0.000 0.432 250 D N 0.238 120.549 120.400 -0.149 0.000 2.271 250 D HA -0.039 4.601 4.640 0.000 0.000 0.206 250 D C 0.270 176.575 176.300 0.010 0.000 0.967 250 D CA 0.867 54.858 54.000 -0.015 0.000 0.867 250 D CB 0.463 41.249 40.800 -0.023 0.000 0.960 250 D HN 0.506 nan 8.370 nan 0.000 0.509 251 S N -1.218 114.419 115.700 -0.104 0.000 2.569 251 S HA 0.639 5.109 4.470 0.000 0.000 0.280 251 S C -1.365 173.126 174.600 -0.182 0.000 1.111 251 S CA -1.010 57.184 58.200 -0.009 0.000 0.887 251 S CB 1.495 64.698 63.200 0.004 0.000 1.095 251 S HN 0.030 nan 8.310 nan 0.000 0.476 252 W N 1.163 122.465 121.300 0.002 0.000 2.736 252 W HA 0.640 5.301 4.660 0.000 0.000 0.335 252 W C 0.324 176.845 176.519 0.004 0.000 1.059 252 W CA -0.400 56.947 57.345 0.004 0.000 1.226 252 W CB 1.999 31.461 29.460 0.004 0.000 1.416 252 W HN 0.916 nan 8.180 nan 0.000 0.505 253 T N -2.201 112.468 114.554 0.190 0.000 2.952 253 T HA 0.344 4.694 4.350 0.000 0.000 0.286 253 T C 0.749 175.531 174.700 0.137 0.000 1.024 253 T CA -0.756 61.418 62.100 0.123 0.000 1.029 253 T CB 1.287 70.191 68.868 0.059 0.000 1.094 253 T HN 0.220 nan 8.240 nan 0.000 0.515 254 V N 1.673 121.642 119.914 0.091 0.000 2.317 254 V HA -0.247 3.873 4.120 0.000 0.000 0.251 254 V C 2.877 179.021 176.094 0.084 0.000 1.065 254 V CA 2.386 64.732 62.300 0.077 0.000 1.049 254 V CB -1.123 30.731 31.823 0.051 0.000 0.651 254 V HN 1.010 nan 8.190 nan 0.000 0.450 255 N N -0.052 118.694 118.700 0.076 0.000 2.084 255 N HA -0.212 4.528 4.740 0.000 0.000 0.190 255 N C 1.586 177.160 175.510 0.106 0.000 1.030 255 N CA 1.811 54.904 53.050 0.071 0.000 0.849 255 N CB -0.129 38.386 38.487 0.046 0.000 1.012 255 N HN 0.471 nan 8.380 nan 0.000 0.423 256 D N 0.946 121.427 120.400 0.136 0.000 2.133 256 D HA -0.134 4.506 4.640 0.000 0.000 0.195 256 D C 2.024 178.514 176.300 0.316 0.000 0.997 256 D CA 0.894 55.022 54.000 0.213 0.000 0.840 256 D CB -0.220 40.721 40.800 0.236 0.000 0.947 256 D HN 0.444 nan 8.370 nan 0.000 0.452 257 I N 0.644 121.374 120.570 0.266 0.000 2.500 257 I HA -0.185 3.985 4.170 0.000 0.000 0.252 257 I C 2.448 178.626 176.117 0.101 0.000 1.142 257 I CA 0.603 61.999 61.300 0.160 0.000 1.451 257 I CB -0.132 37.914 38.000 0.077 0.000 1.093 257 I HN -0.057 nan 8.210 nan 0.000 0.430 258 Q N 0.839 120.699 119.800 0.100 0.000 2.084 258 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 258 Q C 2.161 178.227 176.000 0.110 0.000 0.978 258 Q CA 1.373 57.227 55.803 0.084 0.000 0.844 258 Q CB -0.075 28.706 28.738 0.072 0.000 0.898 258 Q HN 0.461 nan 8.270 nan 0.000 0.426 259 K N 0.423 120.902 120.400 0.133 0.000 2.026 259 K HA -0.162 4.158 4.320 0.000 0.000 0.208 259 K C 2.085 178.798 176.600 0.188 0.000 1.048 259 K CA 0.913 57.302 56.287 0.170 0.000 0.929 259 K CB -0.207 32.383 32.500 0.150 0.000 0.713 259 K HN 0.047 nan 8.250 nan 0.000 0.439 260 L N 1.008 122.332 121.223 0.168 0.000 2.012 260 L HA -0.184 4.156 4.340 0.000 0.000 0.210 260 L C 1.974 178.874 176.870 0.050 0.000 1.073 260 L CA 1.590 56.509 54.840 0.132 0.000 0.748 260 L CB -0.432 41.702 42.059 0.124 0.000 0.891 260 L HN -0.070 nan 8.230 nan 0.000 0.431 261 V N 0.153 120.086 119.914 0.031 0.000 2.343 261 V HA -0.221 3.900 4.120 0.000 0.000 0.247 261 V C 2.609 178.694 176.094 -0.015 0.000 1.051 261 V CA 1.784 64.080 62.300 -0.007 0.000 1.036 261 V CB -1.589 30.232 31.823 -0.003 0.000 0.654 261 V HN 0.656 nan 8.190 nan 0.000 0.451 262 G N -0.613 108.212 108.800 0.041 0.000 2.421 262 G HA2 -0.299 3.662 3.960 0.000 0.000 0.216 262 G HA3 -0.299 3.662 3.960 0.000 0.000 0.216 262 G C 1.640 176.358 174.900 -0.302 0.000 1.171 262 G CA 1.068 46.187 45.100 0.032 0.000 0.775 262 G HN 0.481 nan 8.290 nan 0.000 0.543 263 K N -0.073 120.191 120.400 -0.227 0.000 2.009 263 K HA 0.021 4.341 4.320 0.000 0.000 0.210 263 K C 2.563 179.004 176.600 -0.266 0.000 1.049 263 K CA 1.026 57.030 56.287 -0.472 0.000 0.929 263 K CB -0.322 32.215 32.500 0.060 0.000 0.714 263 K HN 0.312 nan 8.250 nan 0.000 0.440 264 L N 0.988 122.140 121.223 -0.119 0.000 2.012 264 L HA -0.245 4.095 4.340 0.000 0.000 0.210 264 L C 2.428 179.212 176.870 -0.144 0.000 1.073 264 L CA 1.724 56.505 54.840 -0.099 0.000 0.748 264 L CB -0.676 41.335 42.059 -0.080 0.000 0.891 264 L HN 0.406 nan 8.230 nan 0.000 0.431 265 N N -0.377 118.234 118.700 -0.147 0.000 2.104 265 N HA -0.297 4.443 4.740 0.000 0.000 0.190 265 N C 1.743 177.141 175.510 -0.188 0.000 1.024 265 N CA 1.780 54.745 53.050 -0.142 0.000 0.853 265 N CB -0.360 38.071 38.487 -0.094 0.000 1.008 265 N HN 0.428 nan 8.380 nan 0.000 0.424 266 W N 0.778 121.783 121.300 -0.491 0.000 2.381 266 W HA 0.116 4.776 4.660 0.000 0.000 0.301 266 W C 2.123 178.353 176.519 -0.482 0.000 1.205 266 W CA 1.652 58.663 57.345 -0.557 0.000 1.285 266 W CB -0.583 28.273 29.460 -1.006 0.000 1.133 266 W HN 0.124 nan 8.180 nan 0.000 0.521 267 A N 0.480 123.015 122.820 -0.476 0.000 2.067 267 A HA -0.173 4.147 4.320 0.000 0.000 0.219 267 A C 2.061 179.363 177.584 -0.470 0.000 1.158 267 A CA 2.073 53.716 52.037 -0.657 0.000 0.661 267 A CB -1.385 17.520 19.000 -0.158 0.000 0.801 267 A HN 0.445 nan 8.150 nan 0.000 0.452 268 S N -0.549 114.926 115.700 -0.375 0.000 2.447 268 S HA -0.184 4.286 4.470 0.000 0.000 0.233 268 S C 1.712 176.072 174.600 -0.400 0.000 1.006 268 S CA 1.126 59.157 58.200 -0.282 0.000 0.957 268 S CB -0.434 62.638 63.200 -0.213 0.000 0.773 268 S HN 0.695 nan 8.310 nan 0.000 0.507 269 Q N 0.265 119.670 119.800 -0.658 0.000 2.291 269 Q HA 0.139 4.479 4.340 0.000 0.000 0.205 269 Q C 1.813 177.309 176.000 -0.840 0.000 0.970 269 Q CA 1.229 56.477 55.803 -0.926 0.000 0.876 269 Q CB -0.236 27.515 28.738 -1.644 0.000 0.935 269 Q HN 0.657 nan 8.270 nan 0.000 0.455 270 I N -1.414 118.736 120.570 -0.700 0.000 2.499 270 I HA -0.089 4.081 4.170 0.000 0.000 0.243 270 I C -0.035 175.763 176.117 -0.533 0.000 1.085 270 I CA 0.320 61.291 61.300 -0.549 0.000 1.422 270 I CB 0.405 38.045 38.000 -0.600 0.000 1.165 270 I HN 0.014 nan 8.210 nan 0.000 0.440 271 Y N 1.445 121.598 120.300 -0.245 0.000 2.504 271 Y HA 0.290 4.840 4.550 0.000 0.000 0.339 271 Y C -1.928 173.871 175.900 -0.169 0.000 0.974 271 Y CA -2.553 55.453 58.100 -0.158 0.000 1.232 271 Y CB 0.064 38.449 38.460 -0.125 0.000 1.108 271 Y HN -0.008 nan 8.280 nan 0.000 0.509 272 P HA -0.057 nan 4.420 nan 0.000 0.239 272 P C 1.486 178.757 177.300 -0.047 0.000 1.184 272 P CA 0.934 63.989 63.100 -0.074 0.000 0.760 272 P CB 0.386 32.041 31.700 -0.076 0.000 0.884 273 G N -0.354 108.440 108.800 -0.010 0.000 2.572 273 G HA2 -0.064 3.896 3.960 0.000 0.000 0.216 273 G HA3 -0.064 3.896 3.960 0.000 0.000 0.216 273 G C 0.605 175.476 174.900 -0.048 0.000 1.133 273 G CA -0.107 44.977 45.100 -0.027 0.000 0.791 273 G HN 0.251 nan 8.290 nan 0.000 0.538 274 I N 1.689 122.227 120.570 -0.054 0.000 2.517 274 I HA 0.168 4.338 4.170 0.000 0.000 0.285 274 I C 0.288 176.356 176.117 -0.082 0.000 1.106 274 I CA 0.032 61.285 61.300 -0.077 0.000 1.402 274 I CB 0.814 38.761 38.000 -0.089 0.000 1.399 274 I HN 0.176 nan 8.210 nan 0.000 0.535 275 K N 5.303 125.656 120.400 -0.077 0.000 2.259 275 K HA 0.579 4.899 4.320 0.000 0.000 0.249 275 K C -0.539 176.015 176.600 -0.077 0.000 0.942 275 K CA -0.851 55.392 56.287 -0.074 0.000 0.816 275 K CB 2.710 35.172 32.500 -0.064 0.000 1.155 275 K HN 0.286 nan 8.250 nan 0.000 0.428 276 V N 2.220 122.090 119.914 -0.073 0.000 3.276 276 V HA 0.096 4.216 4.120 0.000 0.000 0.319 276 V C 1.197 177.253 176.094 -0.063 0.000 1.476 276 V CA -0.116 62.141 62.300 -0.072 0.000 1.097 276 V CB 0.069 31.850 31.823 -0.070 0.000 0.988 276 V HN 0.776 nan 8.190 nan 0.000 0.473 277 R N -0.104 120.361 120.500 -0.058 0.000 2.066 277 R HA -0.031 4.309 4.340 0.000 0.000 0.232 277 R C 1.990 178.259 176.300 -0.051 0.000 1.131 277 R CA 1.309 57.380 56.100 -0.049 0.000 0.955 277 R CB -0.259 30.014 30.300 -0.044 0.000 0.851 277 R HN 0.473 nan 8.270 nan 0.000 0.432 278 Q N 0.612 120.377 119.800 -0.058 0.000 2.167 278 Q HA -0.030 4.310 4.340 0.000 0.000 0.202 278 Q C 2.317 178.273 176.000 -0.073 0.000 0.970 278 Q CA 0.920 56.687 55.803 -0.061 0.000 0.855 278 Q CB -0.113 28.586 28.738 -0.065 0.000 0.911 278 Q HN 0.342 nan 8.270 nan 0.000 0.438 279 L N -0.110 121.061 121.223 -0.087 0.000 2.109 279 L HA -0.094 4.246 4.340 0.000 0.000 0.207 279 L C 2.406 179.233 176.870 -0.071 0.000 1.086 279 L CA 0.832 55.609 54.840 -0.104 0.000 0.760 279 L CB -0.281 41.701 42.059 -0.128 0.000 0.910 279 L HN 0.099 nan 8.230 nan 0.000 0.437 280 S N -0.075 115.592 115.700 -0.055 0.000 2.507 280 S HA -0.149 4.321 4.470 0.000 0.000 0.235 280 S C 1.699 176.282 174.600 -0.028 0.000 0.988 280 S CA 1.113 59.291 58.200 -0.036 0.000 0.944 280 S CB -0.087 63.094 63.200 -0.032 0.000 0.762 280 S HN 0.497 nan 8.310 nan 0.000 0.526 281 K N 0.126 120.505 120.400 -0.035 0.000 2.358 281 K HA 0.245 4.565 4.320 0.000 0.000 0.197 281 K C 1.468 178.053 176.600 -0.025 0.000 1.025 281 K CA 0.039 56.310 56.287 -0.027 0.000 1.104 281 K CB -0.157 32.326 32.500 -0.028 0.000 0.855 281 K HN 0.294 nan 8.250 nan 0.000 0.531 282 L N 1.145 122.348 121.223 -0.033 0.000 2.201 282 L HA 0.019 4.360 4.340 0.000 0.000 0.212 282 L C 0.823 177.687 176.870 -0.010 0.000 1.105 282 L CA 0.725 55.549 54.840 -0.027 0.000 0.775 282 L CB -0.173 41.860 42.059 -0.043 0.000 0.913 282 L HN 0.188 nan 8.230 nan 0.000 0.440 283 L N 1.309 122.527 121.223 -0.009 0.000 2.475 283 L HA 0.279 4.619 4.340 0.000 0.000 0.253 283 L C -0.167 176.703 176.870 0.000 0.000 1.137 283 L CA -0.124 54.717 54.840 0.002 0.000 1.058 283 L CB -0.142 41.922 42.059 0.007 0.000 1.382 283 L HN 0.061 nan 8.230 nan 0.000 0.416 284 R N 1.677 122.177 120.500 -0.000 0.000 2.494 284 R HA 0.816 5.156 4.340 0.000 0.000 0.305 284 R C 0.323 176.624 176.300 0.003 0.000 0.959 284 R CA -0.187 55.913 56.100 -0.000 0.000 0.864 284 R CB 2.161 32.458 30.300 -0.004 0.000 1.159 284 R HN 0.608 nan 8.270 nan 0.000 0.446 285 G N 0.788 109.591 108.800 0.004 0.000 2.378 285 G HA2 -0.210 3.750 3.960 0.000 0.000 0.198 285 G HA3 -0.210 3.750 3.960 0.000 0.000 0.198 285 G C -1.035 173.870 174.900 0.008 0.000 1.223 285 G CA -0.649 44.454 45.100 0.006 0.000 1.088 285 G HN 0.418 nan 8.290 nan 0.000 0.530 286 T N 1.732 116.292 114.554 0.009 0.000 3.305 286 T HA 0.481 4.831 4.350 0.000 0.000 0.348 286 T C -0.085 174.622 174.700 0.012 0.000 1.394 286 T CA -0.452 61.654 62.100 0.011 0.000 1.549 286 T CB 0.541 69.415 68.868 0.009 0.000 0.962 286 T HN 0.607 nan 8.240 nan 0.000 0.609 287 K N 1.493 121.901 120.400 0.015 0.000 2.098 287 K HA 0.762 5.082 4.320 0.000 0.000 0.261 287 K C 0.479 177.090 176.600 0.018 0.000 0.987 287 K CA -0.765 55.532 56.287 0.016 0.000 0.916 287 K CB 1.321 33.833 32.500 0.020 0.000 1.039 287 K HN 0.513 nan 8.250 nan 0.000 0.455 288 A N 2.187 125.017 122.820 0.016 0.000 2.498 288 A HA -0.012 4.308 4.320 0.000 0.000 0.239 288 A C 0.999 178.596 177.584 0.021 0.000 1.068 288 A CA -0.216 51.831 52.037 0.016 0.000 0.766 288 A CB 0.043 19.051 19.000 0.014 0.000 1.003 288 A HN 0.658 nan 8.150 nan 0.000 0.497 289 L N 2.279 123.514 121.223 0.020 0.000 2.131 289 L HA -0.108 4.232 4.340 0.000 0.000 0.210 289 L C 2.723 179.609 176.870 0.026 0.000 1.092 289 L CA 2.752 57.607 54.840 0.025 0.000 0.759 289 L CB -0.822 41.249 42.059 0.021 0.000 0.903 289 L HN 0.925 nan 8.230 nan 0.000 0.435 290 T N -3.801 110.764 114.554 0.019 0.000 3.144 290 T HA 0.035 4.385 4.350 0.000 0.000 0.249 290 T C 0.712 175.424 174.700 0.021 0.000 1.089 290 T CA -0.367 61.743 62.100 0.017 0.000 0.989 290 T CB -0.421 68.451 68.868 0.008 0.000 0.992 290 T HN 0.316 nan 8.240 nan 0.000 0.540 291 E N 2.064 122.280 120.200 0.026 0.000 2.384 291 E HA 0.270 4.620 4.350 0.000 0.000 0.266 291 E C -0.032 176.593 176.600 0.041 0.000 1.012 291 E CA -0.686 55.731 56.400 0.028 0.000 0.901 291 E CB 0.896 30.613 29.700 0.027 0.000 0.967 291 E HN 0.366 nan 8.360 nan 0.000 0.435 292 V N 3.568 123.507 119.914 0.041 0.000 2.432 292 V HA 0.446 4.566 4.120 0.000 0.000 0.275 292 V C -0.024 176.110 176.094 0.067 0.000 1.043 292 V CA -0.554 61.782 62.300 0.060 0.000 0.925 292 V CB 0.732 32.585 31.823 0.049 0.000 0.985 292 V HN 0.526 nan 8.190 nan 0.000 0.466 293 I N 7.466 128.091 120.570 0.093 0.000 2.355 293 I HA 0.423 4.593 4.170 0.000 0.000 0.288 293 I C -2.109 174.065 176.117 0.094 0.000 0.999 293 I CA -1.985 59.360 61.300 0.075 0.000 1.163 293 I CB 2.356 40.391 38.000 0.059 0.000 1.316 293 I HN 0.529 nan 8.210 nan 0.000 0.454 294 P HA 0.175 nan 4.420 nan 0.000 0.271 294 P C -0.779 176.537 177.300 0.026 0.000 1.216 294 P CA -0.191 62.949 63.100 0.067 0.000 0.771 294 P CB 0.911 32.638 31.700 0.046 0.000 0.864 295 L N 3.110 124.338 121.223 0.009 0.000 2.319 295 L HA 0.211 4.551 4.340 0.000 0.000 0.280 295 L C 1.493 178.334 176.870 -0.048 0.000 1.099 295 L CA -0.455 54.344 54.840 -0.069 0.000 0.828 295 L CB 0.416 42.377 42.059 -0.163 0.000 1.150 295 L HN 0.452 nan 8.230 nan 0.000 0.442 296 T N -1.413 113.109 114.554 -0.054 0.000 2.918 296 T HA 0.079 4.429 4.350 0.000 0.000 0.302 296 T C 1.049 175.720 174.700 -0.048 0.000 1.045 296 T CA -0.624 61.451 62.100 -0.041 0.000 1.114 296 T CB 1.099 69.943 68.868 -0.039 0.000 0.965 296 T HN 0.673 nan 8.240 nan 0.000 0.540 297 E N 1.270 121.450 120.200 -0.034 0.000 2.149 297 E HA -0.305 4.045 4.350 0.000 0.000 0.215 297 E C 2.225 178.798 176.600 -0.044 0.000 1.055 297 E CA 2.180 58.560 56.400 -0.033 0.000 0.870 297 E CB -0.043 29.642 29.700 -0.025 0.000 0.764 297 E HN 0.867 nan 8.360 nan 0.000 0.463 298 E N 0.811 120.983 120.200 -0.047 0.000 2.017 298 E HA -0.201 4.149 4.350 0.000 0.000 0.193 298 E C 2.276 178.833 176.600 -0.072 0.000 0.997 298 E CA 1.205 57.573 56.400 -0.053 0.000 0.804 298 E CB -0.718 28.954 29.700 -0.048 0.000 0.757 298 E HN 0.268 nan 8.360 nan 0.000 0.448 299 A N 1.661 124.430 122.820 -0.086 0.000 1.940 299 A HA -0.313 4.007 4.320 0.000 0.000 0.221 299 A C 2.202 179.698 177.584 -0.147 0.000 1.190 299 A CA 2.485 54.448 52.037 -0.124 0.000 0.647 299 A CB -0.707 18.210 19.000 -0.139 0.000 0.821 299 A HN 0.328 nan 8.150 nan 0.000 0.457 300 E N -0.392 119.735 120.200 -0.121 0.000 2.047 300 E HA -0.120 4.230 4.350 0.000 0.000 0.191 300 E C 1.924 178.473 176.600 -0.085 0.000 0.987 300 E CA 1.008 57.341 56.400 -0.111 0.000 0.799 300 E CB -0.332 29.328 29.700 -0.067 0.000 0.752 300 E HN 0.435 nan 8.360 nan 0.000 0.449 301 L N 0.970 122.153 121.223 -0.067 0.000 1.994 301 L HA -0.164 4.176 4.340 0.000 0.000 0.208 301 L C 2.340 179.171 176.870 -0.065 0.000 1.071 301 L CA 2.237 57.045 54.840 -0.054 0.000 0.745 301 L CB -0.821 41.211 42.059 -0.044 0.000 0.892 301 L HN 0.381 nan 8.230 nan 0.000 0.431 302 E N -0.073 120.082 120.200 -0.075 0.000 2.171 302 E HA -0.282 4.068 4.350 0.000 0.000 0.197 302 E C 2.384 178.928 176.600 -0.093 0.000 0.997 302 E CA 1.142 57.494 56.400 -0.080 0.000 0.810 302 E CB -0.108 29.541 29.700 -0.085 0.000 0.738 302 E HN 0.541 nan 8.360 nan 0.000 0.467 303 L N -0.010 121.145 121.223 -0.115 0.000 2.141 303 L HA -0.126 4.214 4.340 0.000 0.000 0.209 303 L C 2.355 179.177 176.870 -0.080 0.000 1.094 303 L CA 1.161 55.926 54.840 -0.125 0.000 0.763 303 L CB -0.269 41.679 42.059 -0.186 0.000 0.908 303 L HN 0.211 nan 8.230 nan 0.000 0.437 304 A N -0.603 122.178 122.820 -0.065 0.000 1.930 304 A HA -0.166 4.154 4.320 0.000 0.000 0.215 304 A C 1.989 179.544 177.584 -0.048 0.000 1.176 304 A CA 1.018 53.029 52.037 -0.043 0.000 0.632 304 A CB -0.304 18.676 19.000 -0.033 0.000 0.819 304 A HN 0.459 nan 8.150 nan 0.000 0.445 305 E N 0.397 120.564 120.200 -0.055 0.000 2.013 305 E HA -0.232 4.118 4.350 0.000 0.000 0.202 305 E C 1.796 178.353 176.600 -0.070 0.000 1.018 305 E CA 1.402 57.767 56.400 -0.058 0.000 0.834 305 E CB -0.319 29.346 29.700 -0.059 0.000 0.770 305 E HN 0.556 nan 8.360 nan 0.000 0.459 306 N N 0.727 119.380 118.700 -0.079 0.000 2.060 306 N HA -0.244 4.496 4.740 0.000 0.000 0.195 306 N C 1.830 177.278 175.510 -0.104 0.000 1.028 306 N CA 1.152 54.145 53.050 -0.096 0.000 0.861 306 N CB -0.485 37.948 38.487 -0.091 0.000 1.029 306 N HN 0.150 nan 8.380 nan 0.000 0.428 307 R N 0.930 121.385 120.500 -0.075 0.000 2.120 307 R HA -0.093 4.247 4.340 0.000 0.000 0.234 307 R C 1.429 177.684 176.300 -0.075 0.000 1.123 307 R CA 1.075 57.139 56.100 -0.060 0.000 0.975 307 R CB 0.229 30.514 30.300 -0.025 0.000 0.866 307 R HN 0.188 nan 8.270 nan 0.000 0.446 308 E N 0.655 120.812 120.200 -0.073 0.000 2.033 308 E HA -0.110 4.240 4.350 0.000 0.000 0.189 308 E C 2.073 178.609 176.600 -0.107 0.000 0.979 308 E CA 0.816 57.174 56.400 -0.070 0.000 0.802 308 E CB -0.358 29.312 29.700 -0.050 0.000 0.763 308 E HN 0.359 nan 8.360 nan 0.000 0.449 309 I N 1.378 121.876 120.570 -0.120 0.000 2.227 309 I HA -0.334 3.836 4.170 0.000 0.000 0.250 309 I C 2.347 178.268 176.117 -0.326 0.000 1.087 309 I CA 1.187 62.392 61.300 -0.159 0.000 1.352 309 I CB -0.391 37.523 38.000 -0.142 0.000 1.043 309 I HN 0.075 nan 8.210 nan 0.000 0.425 310 L N 0.093 121.088 121.223 -0.379 0.000 2.217 310 L HA -0.171 4.169 4.340 0.000 0.000 0.211 310 L C 2.587 179.242 176.870 -0.358 0.000 1.107 310 L CA 0.991 55.477 54.840 -0.590 0.000 0.783 310 L CB -0.516 41.333 42.059 -0.350 0.000 0.919 310 L HN 0.226 nan 8.230 nan 0.000 0.442 311 K N 0.731 121.024 120.400 -0.177 0.000 1.991 311 K HA -0.126 4.194 4.320 0.000 0.000 0.212 311 K C 0.437 177.017 176.600 -0.032 0.000 1.049 311 K CA 0.772 57.016 56.287 -0.072 0.000 0.932 311 K CB -0.455 32.020 32.500 -0.042 0.000 0.717 311 K HN 0.406 nan 8.250 nan 0.000 0.441 312 E N 2.526 122.707 120.200 -0.033 0.000 2.696 312 E HA -0.105 4.245 4.350 0.000 0.000 0.270 312 E C -2.255 174.431 176.600 0.144 0.000 0.958 312 E CA -0.799 55.627 56.400 0.044 0.000 0.964 312 E CB -0.134 29.594 29.700 0.047 0.000 0.948 312 E HN 0.195 nan 8.360 nan 0.000 0.472 313 P HA 0.010 nan 4.420 nan 0.000 0.275 313 P C -0.428 176.993 177.300 0.202 0.000 1.227 313 P CA -0.251 62.952 63.100 0.173 0.000 0.781 313 P CB 0.623 32.387 31.700 0.107 0.000 0.906 314 V N 4.377 124.383 119.914 0.153 0.000 2.475 314 V HA -0.084 4.036 4.120 0.000 0.000 0.292 314 V C 1.267 177.357 176.094 -0.006 0.000 1.003 314 V CA 0.400 62.686 62.300 -0.023 0.000 1.120 314 V CB -1.332 30.391 31.823 -0.166 0.000 0.937 314 V HN 0.634 nan 8.190 nan 0.000 0.476 315 H N 4.556 123.590 119.070 -0.060 0.000 2.582 315 H HA 0.386 4.942 4.556 0.000 0.000 0.345 315 H C 1.016 176.281 175.328 -0.105 0.000 1.104 315 H CA 0.782 56.794 56.048 -0.061 0.000 1.390 315 H CB 1.404 31.156 29.762 -0.017 0.000 1.461 315 H HN 0.936 nan 8.280 nan 0.000 0.551 316 G N 3.761 112.089 108.800 -0.786 0.000 2.204 316 G HA2 -0.203 3.757 3.960 0.000 0.000 0.244 316 G HA3 -0.203 3.757 3.960 0.000 0.000 0.244 316 G C -0.638 173.992 174.900 -0.450 0.000 1.062 316 G CA 0.202 44.984 45.100 -0.530 0.000 0.798 316 G HN 0.554 nan 8.290 nan 0.000 0.496 317 V N 0.614 120.124 119.914 -0.674 0.000 2.350 317 V HA 0.630 4.750 4.120 0.000 0.000 0.285 317 V C -0.593 175.157 176.094 -0.573 0.000 1.014 317 V CA -0.965 61.076 62.300 -0.432 0.000 0.831 317 V CB 1.011 32.703 31.823 -0.219 0.000 1.000 317 V HN 0.280 nan 8.190 nan 0.000 0.433 318 Y N 3.672 123.969 120.300 -0.005 0.000 2.326 318 Y HA 0.421 4.972 4.550 0.000 0.000 0.331 318 Y C -0.240 175.677 175.900 0.029 0.000 0.962 318 Y CA -1.174 56.938 58.100 0.019 0.000 1.167 318 Y CB 1.418 39.865 38.460 -0.022 0.000 1.148 318 Y HN 0.680 nan 8.280 nan 0.000 0.463 319 Y N 4.327 124.682 120.300 0.091 0.000 2.650 319 Y HA 0.120 4.670 4.550 0.000 0.000 0.342 319 Y C -0.153 175.740 175.900 -0.012 0.000 1.110 319 Y CA -0.455 57.628 58.100 -0.027 0.000 1.438 319 Y CB 0.149 38.611 38.460 0.004 0.000 1.181 319 Y HN 0.563 nan 8.280 nan 0.000 0.526 320 D N 8.963 128.992 120.400 -0.617 0.000 2.412 320 D HA 0.277 4.918 4.640 0.000 0.000 0.224 320 D C -2.250 173.536 176.300 -0.857 0.000 1.093 320 D CA -2.614 51.023 54.000 -0.607 0.000 0.850 320 D CB 1.943 42.571 40.800 -0.286 0.000 1.046 320 D HN 0.315 nan 8.370 nan 0.000 0.507 321 P HA -0.113 nan 4.420 nan 0.000 0.221 321 P C 1.396 178.517 177.300 -0.299 0.000 1.150 321 P CA 0.867 63.656 63.100 -0.518 0.000 0.800 321 P CB 0.217 31.756 31.700 -0.269 0.000 0.787 322 S N -1.547 113.972 115.700 -0.302 0.000 2.402 322 S HA -0.095 4.375 4.470 0.000 0.000 0.229 322 S C 1.056 175.546 174.600 -0.184 0.000 1.021 322 S CA 0.657 58.706 58.200 -0.251 0.000 0.974 322 S CB -0.671 62.404 63.200 -0.209 0.000 0.800 322 S HN 0.018 nan 8.310 nan 0.000 0.484 323 K N 1.045 121.338 120.400 -0.179 0.000 2.098 323 K HA 0.341 4.661 4.320 0.000 0.000 0.261 323 K C -1.167 175.377 176.600 -0.093 0.000 0.987 323 K CA -0.579 55.633 56.287 -0.125 0.000 0.916 323 K CB 0.864 33.288 32.500 -0.126 0.000 1.039 323 K HN 0.140 nan 8.250 nan 0.000 0.455 324 D N 1.386 121.743 120.400 -0.072 0.000 2.283 324 D HA 0.189 4.829 4.640 0.000 0.000 0.248 324 D C -0.933 175.286 176.300 -0.136 0.000 1.072 324 D CA -0.357 53.607 54.000 -0.061 0.000 0.929 324 D CB 0.727 41.497 40.800 -0.050 0.000 1.182 324 D HN 0.101 nan 8.370 nan 0.000 0.433 325 L N 3.340 124.460 121.223 -0.171 0.000 2.319 325 L HA 0.282 4.622 4.340 0.000 0.000 0.280 325 L C -0.588 176.039 176.870 -0.405 0.000 1.099 325 L CA -0.030 54.621 54.840 -0.314 0.000 0.828 325 L CB 0.643 42.484 42.059 -0.364 0.000 1.150 325 L HN 0.328 nan 8.230 nan 0.000 0.442 326 I N 3.813 124.046 120.570 -0.562 0.000 2.377 326 I HA 0.523 4.693 4.170 0.000 0.000 0.293 326 I C 0.214 175.872 176.117 -0.765 0.000 0.987 326 I CA -0.563 60.314 61.300 -0.705 0.000 1.185 326 I CB 1.331 38.693 38.000 -1.064 0.000 1.341 326 I HN 0.618 nan 8.210 nan 0.000 0.455 327 A N 6.342 128.787 122.820 -0.626 0.000 2.331 327 A HA 0.670 4.990 4.320 0.000 0.000 0.320 327 A C -0.353 177.117 177.584 -0.191 0.000 1.138 327 A CA -0.606 51.139 52.037 -0.487 0.000 0.790 327 A CB 1.136 19.603 19.000 -0.889 0.000 1.206 327 A HN 0.752 nan 8.150 nan 0.000 0.470 328 E N 1.486 121.689 120.200 0.005 0.000 2.195 328 E HA 0.627 4.977 4.350 0.000 0.000 0.271 328 E C -1.189 175.508 176.600 0.163 0.000 0.923 328 E CA -0.436 56.036 56.400 0.120 0.000 0.790 328 E CB 2.197 32.021 29.700 0.207 0.000 1.155 328 E HN 0.612 nan 8.360 nan 0.000 0.402 329 I N 2.217 122.893 120.570 0.177 0.000 2.498 329 I HA 0.233 4.403 4.170 0.000 0.000 0.290 329 I C -0.897 175.348 176.117 0.213 0.000 1.032 329 I CA -0.940 60.499 61.300 0.231 0.000 1.073 329 I CB 1.927 40.075 38.000 0.246 0.000 1.251 329 I HN 0.328 nan 8.210 nan 0.000 0.426 330 Q N 4.621 124.549 119.800 0.214 0.000 2.337 330 Q HA 0.372 4.712 4.340 0.000 0.000 0.266 330 Q C -0.620 175.442 176.000 0.103 0.000 1.023 330 Q CA -0.790 55.099 55.803 0.143 0.000 0.829 330 Q CB 2.374 31.170 28.738 0.097 0.000 1.306 330 Q HN 0.328 nan 8.270 nan 0.000 0.449 331 K N 2.141 122.509 120.400 -0.053 0.000 2.349 331 K HA 0.053 4.373 4.320 0.000 0.000 0.289 331 K C -0.134 176.253 176.600 -0.355 0.000 1.064 331 K CA 0.007 56.009 56.287 -0.476 0.000 0.947 331 K CB 0.664 32.859 32.500 -0.507 0.000 1.007 331 K HN 0.574 nan 8.250 nan 0.000 0.478 332 Q N 2.531 122.089 119.800 -0.403 0.000 2.356 332 Q HA 0.138 4.478 4.340 0.000 0.000 0.205 332 Q C 0.699 176.556 176.000 -0.239 0.000 0.901 332 Q CA 0.562 56.230 55.803 -0.225 0.000 0.938 332 Q CB 0.701 29.367 28.738 -0.121 0.000 1.081 332 Q HN 1.016 nan 8.270 nan 0.000 0.517 333 G N 1.259 109.842 108.800 -0.362 0.000 2.757 333 G HA2 -0.235 3.725 3.960 0.000 0.000 0.638 333 G HA3 -0.235 3.725 3.960 0.000 0.000 0.638 333 G C -0.614 174.167 174.900 -0.197 0.000 1.344 333 G CA -0.444 44.503 45.100 -0.255 0.000 0.855 333 G HN 0.145 nan 8.290 nan 0.000 0.537 334 Q N -1.451 118.282 119.800 -0.112 0.000 2.358 334 Q HA -0.203 4.137 4.340 0.000 0.000 0.318 334 Q C 1.944 177.931 176.000 -0.022 0.000 1.243 334 Q CA 2.886 58.659 55.803 -0.051 0.000 0.949 334 Q CB -1.984 26.732 28.738 -0.038 0.000 1.224 334 Q HN 2.910 nan 8.270 nan 0.000 0.473 335 G N -1.536 107.256 108.800 -0.014 0.000 2.184 335 G HA2 -0.308 3.652 3.960 0.000 0.000 0.264 335 G HA3 -0.308 3.652 3.960 0.000 0.000 0.264 335 G C 0.023 175.022 174.900 0.165 0.000 0.975 335 G CA 0.488 45.673 45.100 0.142 0.000 0.642 335 G HN 0.361 nan 8.290 nan 0.000 0.536 336 Q N -0.798 118.966 119.800 -0.059 0.000 2.259 336 Q HA 0.618 4.958 4.340 0.000 0.000 0.249 336 Q C -0.528 175.359 176.000 -0.188 0.000 0.914 336 Q CA -0.045 55.764 55.803 0.009 0.000 0.904 336 Q CB 1.029 29.756 28.738 -0.019 0.000 1.213 336 Q HN 0.473 nan 8.270 nan 0.000 0.428 337 W N 0.379 121.794 121.300 0.193 0.000 2.998 337 W HA 0.398 5.058 4.660 0.000 0.000 0.335 337 W C -0.339 176.318 176.519 0.230 0.000 1.110 337 W CA -0.642 56.827 57.345 0.206 0.000 1.230 337 W CB 1.541 31.146 29.460 0.243 0.000 1.405 337 W HN 0.467 nan 8.180 nan 0.000 0.493 338 T N -0.007 114.761 114.554 0.358 0.000 2.856 338 T HA 0.800 5.150 4.350 0.000 0.000 0.283 338 T C -1.124 173.727 174.700 0.252 0.000 1.008 338 T CA -0.652 61.584 62.100 0.227 0.000 0.997 338 T CB 1.440 70.373 68.868 0.108 0.000 0.992 338 T HN 0.397 nan 8.240 nan 0.000 0.454 339 Y N -0.039 120.296 120.300 0.058 0.000 2.553 339 Y HA 0.836 5.386 4.550 0.000 0.000 0.347 339 Y C -1.106 174.762 175.900 -0.054 0.000 1.019 339 Y CA -1.471 56.640 58.100 0.017 0.000 1.032 339 Y CB 1.502 40.013 38.460 0.084 0.000 1.284 339 Y HN 0.596 nan 8.280 nan 0.000 0.466 340 Q N 2.375 122.216 119.800 0.068 0.000 2.397 340 Q HA 0.696 5.036 4.340 0.000 0.000 0.275 340 Q C -1.519 174.561 176.000 0.133 0.000 1.090 340 Q CA -0.659 55.178 55.803 0.057 0.000 0.809 340 Q CB 3.287 32.040 28.738 0.025 0.000 1.362 340 Q HN 0.783 nan 8.270 nan 0.000 0.431 341 I N 2.964 123.599 120.570 0.108 0.000 2.410 341 I HA 0.519 4.689 4.170 0.000 0.000 0.286 341 I C -1.229 174.868 176.117 -0.033 0.000 1.009 341 I CA -0.983 60.281 61.300 -0.060 0.000 1.111 341 I CB 0.661 38.625 38.000 -0.059 0.000 1.262 341 I HN 0.661 nan 8.210 nan 0.000 0.443 342 Y N 3.213 123.417 120.300 -0.160 0.000 2.615 342 Y HA 0.540 5.090 4.550 0.000 0.000 0.341 342 Y C -0.086 175.710 175.900 -0.173 0.000 1.089 342 Y CA -0.899 57.110 58.100 -0.151 0.000 1.049 342 Y CB 1.253 39.647 38.460 -0.109 0.000 1.296 342 Y HN 0.425 nan 8.280 nan 0.000 0.470 343 Q N -0.264 119.552 119.800 0.028 0.000 2.369 343 Q HA 0.261 4.601 4.340 0.000 0.000 0.254 343 Q C -0.675 175.385 176.000 0.100 0.000 0.858 343 Q CA 0.170 55.950 55.803 -0.038 0.000 0.961 343 Q CB 1.183 29.873 28.738 -0.079 0.000 1.119 343 Q HN 0.593 nan 8.270 nan 0.000 0.538 344 E N 1.133 121.423 120.200 0.150 0.000 2.266 344 E HA 0.356 4.706 4.350 0.000 0.000 0.268 344 E C -2.669 173.906 176.600 -0.042 0.000 0.879 344 E CA -2.464 53.978 56.400 0.070 0.000 0.762 344 E CB 1.674 31.382 29.700 0.013 0.000 1.199 344 E HN -0.135 nan 8.360 nan 0.000 0.422 345 P HA -0.079 nan 4.420 nan 0.000 0.261 345 P C -0.313 176.638 177.300 -0.581 0.000 1.165 345 P CA 0.469 63.129 63.100 -0.732 0.000 0.759 345 P CB -0.041 31.235 31.700 -0.705 0.000 0.772 346 F N 0.401 120.149 119.950 -0.337 0.000 2.825 346 F HA -0.241 4.286 4.527 0.000 0.000 0.358 346 F C 0.768 176.432 175.800 -0.227 0.000 0.639 346 F CA 1.020 58.853 58.000 -0.279 0.000 1.153 346 F CB -2.203 36.625 39.000 -0.287 0.000 1.610 346 F HN 0.297 nan 8.300 nan 0.000 0.305 347 K N 1.397 121.757 120.400 -0.066 0.000 2.598 347 K HA 0.293 4.613 4.320 0.000 0.000 0.226 347 K C -0.070 176.532 176.600 0.004 0.000 1.156 347 K CA -0.195 56.070 56.287 -0.036 0.000 1.122 347 K CB -0.035 32.454 32.500 -0.019 0.000 1.739 347 K HN 0.061 nan 8.250 nan 0.000 0.472 348 N N 1.186 119.891 118.700 0.008 0.000 2.518 348 N HA 0.066 4.806 4.740 0.000 0.000 0.266 348 N C 0.723 176.265 175.510 0.053 0.000 1.196 348 N CA 0.076 53.171 53.050 0.076 0.000 0.947 348 N CB 0.974 39.522 38.487 0.101 0.000 1.098 348 N HN 0.231 nan 8.380 nan 0.000 0.450 349 L N 0.336 121.602 121.223 0.071 0.000 2.408 349 L HA 0.212 4.552 4.340 0.000 0.000 0.215 349 L C 0.852 177.862 176.870 0.233 0.000 1.081 349 L CA 0.717 55.635 54.840 0.129 0.000 0.840 349 L CB 0.123 42.203 42.059 0.036 0.000 1.002 349 L HN 0.352 nan 8.230 nan 0.000 0.468 350 K N 0.751 121.274 120.400 0.205 0.000 2.570 350 K HA 0.303 4.623 4.320 0.000 0.000 0.256 350 K C -1.420 175.243 176.600 0.105 0.000 0.939 350 K CA -0.140 56.266 56.287 0.198 0.000 0.833 350 K CB 2.009 34.699 32.500 0.317 0.000 1.318 350 K HN -0.030 nan 8.250 nan 0.000 0.433 351 T N 0.030 114.603 114.554 0.032 0.000 2.824 351 T HA 0.857 5.207 4.350 0.000 0.000 0.282 351 T C 0.181 174.720 174.700 -0.269 0.000 0.993 351 T CA -0.717 61.329 62.100 -0.089 0.000 0.967 351 T CB 1.917 70.823 68.868 0.062 0.000 0.960 351 T HN 0.556 nan 8.240 nan 0.000 0.441 352 G N 1.588 109.961 108.800 -0.711 0.000 2.725 352 G HA2 0.767 4.727 3.960 0.000 0.000 0.288 352 G HA3 0.767 4.727 3.960 0.000 0.000 0.288 352 G C -1.717 172.811 174.900 -0.620 0.000 1.399 352 G CA -1.360 43.228 45.100 -0.852 0.000 0.859 352 G HN 0.999 nan 8.290 nan 0.000 0.479 353 K N -1.218 119.089 120.400 -0.156 0.000 2.469 353 K HA 0.665 4.985 4.320 0.000 0.000 0.254 353 K C -2.100 174.737 176.600 0.396 0.000 0.939 353 K CA -1.051 55.334 56.287 0.163 0.000 0.812 353 K CB 2.565 35.143 32.500 0.130 0.000 1.301 353 K HN 0.495 nan 8.250 nan 0.000 0.433 354 Y N 1.687 122.214 120.300 0.378 0.000 2.328 354 Y HA 0.606 5.157 4.550 0.000 0.000 0.337 354 Y C -1.123 174.958 175.900 0.303 0.000 0.966 354 Y CA -0.488 57.798 58.100 0.310 0.000 1.136 354 Y CB 1.592 40.201 38.460 0.249 0.000 1.170 354 Y HN 0.910 nan 8.280 nan 0.000 0.470 355 A N 6.084 128.780 122.820 -0.207 0.000 2.325 355 A HA 0.920 5.241 4.320 0.000 0.000 0.333 355 A C -0.824 176.617 177.584 -0.239 0.000 1.155 355 A CA -0.609 51.376 52.037 -0.087 0.000 0.814 355 A CB 1.354 20.324 19.000 -0.051 0.000 1.206 355 A HN 0.790 nan 8.150 nan 0.000 0.482 356 R N 0.626 121.137 120.500 0.018 0.000 2.844 356 R HA 0.431 4.771 4.340 0.000 0.000 0.264 356 R C -0.617 175.732 176.300 0.081 0.000 1.077 356 R CA -0.818 55.310 56.100 0.047 0.000 0.953 356 R CB 0.743 31.169 30.300 0.210 0.000 1.272 356 R HN 0.897 nan 8.270 nan 0.000 0.447 357 M N 2.066 121.712 119.600 0.077 0.000 2.290 357 M HA 0.042 4.522 4.480 0.000 0.000 0.356 357 M C 0.150 176.492 176.300 0.071 0.000 1.448 357 M CA 0.947 56.283 55.300 0.060 0.000 0.993 357 M CB 0.463 33.095 32.600 0.054 0.000 1.934 357 M HN 0.459 nan 8.290 nan 0.000 0.461 358 R N 3.567 124.097 120.500 0.050 0.000 2.363 358 R HA 0.122 4.462 4.340 0.000 0.000 0.236 358 R C 0.885 177.212 176.300 0.045 0.000 0.966 358 R CA 0.173 56.299 56.100 0.043 0.000 1.100 358 R CB -0.264 30.051 30.300 0.026 0.000 1.125 358 R HN 0.973 nan 8.270 nan 0.000 0.514 359 G N -0.317 108.519 108.800 0.060 0.000 2.466 359 G HA2 0.086 4.046 3.960 0.000 0.000 0.279 359 G HA3 0.086 4.046 3.960 0.000 0.000 0.279 359 G C 0.762 175.718 174.900 0.094 0.000 1.410 359 G CA 0.313 45.461 45.100 0.081 0.000 1.065 359 G HN 0.261 nan 8.290 nan 0.000 0.547 360 A N -2.443 120.479 122.820 0.170 0.000 2.063 360 A HA 0.240 4.561 4.320 0.000 0.000 0.211 360 A C 1.687 179.259 177.584 -0.021 0.000 1.177 360 A CA 0.767 52.847 52.037 0.071 0.000 0.759 360 A CB -0.014 19.012 19.000 0.043 0.000 0.857 360 A HN 0.546 nan 8.150 nan 0.000 0.468 361 H N 0.981 120.050 119.070 -0.002 0.000 2.519 361 H HA 0.185 4.742 4.556 0.000 0.000 0.289 361 H C 0.521 175.843 175.328 -0.010 0.000 1.040 361 H CA 0.174 56.218 56.048 -0.008 0.000 1.165 361 H CB -0.656 29.102 29.762 -0.007 0.000 1.462 361 H HN 0.394 nan 8.280 nan 0.000 0.555 362 T N -0.720 113.890 114.554 0.093 0.000 2.923 362 T HA -0.110 4.240 4.350 0.000 0.000 0.304 362 T C 0.548 175.265 174.700 0.028 0.000 1.044 362 T CA -0.474 61.667 62.100 0.070 0.000 1.141 362 T CB 0.657 69.577 68.868 0.085 0.000 1.023 362 T HN 0.264 nan 8.240 nan 0.000 0.533 363 N N 1.891 120.587 118.700 -0.007 0.000 2.501 363 N HA 0.182 4.922 4.740 0.000 0.000 0.245 363 N C 0.402 175.889 175.510 -0.039 0.000 0.974 363 N CA -0.726 52.278 53.050 -0.077 0.000 0.941 363 N CB 1.207 39.580 38.487 -0.190 0.000 1.122 363 N HN 0.558 nan 8.380 nan 0.000 0.507 364 D N 2.471 122.904 120.400 0.055 0.000 2.133 364 D HA -0.136 4.504 4.640 0.000 0.000 0.195 364 D C 1.596 177.961 176.300 0.108 0.000 0.997 364 D CA 1.163 55.297 54.000 0.223 0.000 0.840 364 D CB 0.423 41.374 40.800 0.253 0.000 0.947 364 D HN 0.351 nan 8.370 nan 0.000 0.452 365 V N 0.717 120.639 119.914 0.012 0.000 2.379 365 V HA -0.157 3.963 4.120 0.000 0.000 0.245 365 V C 2.450 178.458 176.094 -0.143 0.000 1.044 365 V CA 1.192 63.513 62.300 0.034 0.000 1.036 365 V CB -0.345 31.545 31.823 0.112 0.000 0.664 365 V HN 0.174 nan 8.190 nan 0.000 0.453 366 K N 0.037 120.123 120.400 -0.522 0.000 2.001 366 K HA -0.301 4.019 4.320 0.000 0.000 0.214 366 K C 2.281 178.647 176.600 -0.389 0.000 1.050 366 K CA 2.277 58.016 56.287 -0.913 0.000 0.934 366 K CB -0.253 31.560 32.500 -1.144 0.000 0.718 366 K HN 0.469 nan 8.250 nan 0.000 0.443 367 Q N 0.439 120.067 119.800 -0.287 0.000 2.112 367 Q HA -0.160 4.180 4.340 0.000 0.000 0.206 367 Q C 2.238 177.827 176.000 -0.684 0.000 0.987 367 Q CA 1.460 57.072 55.803 -0.318 0.000 0.858 367 Q CB -0.073 28.624 28.738 -0.068 0.000 0.905 367 Q HN 0.400 nan 8.270 nan 0.000 0.420 368 L N 0.264 121.110 121.223 -0.627 0.000 2.141 368 L HA -0.161 4.179 4.340 0.000 0.000 0.209 368 L C 2.482 179.192 176.870 -0.267 0.000 1.094 368 L CA 1.774 56.233 54.840 -0.634 0.000 0.763 368 L CB -0.371 41.580 42.059 -0.180 0.000 0.908 368 L HN 0.435 nan 8.230 nan 0.000 0.437 369 T N -4.473 110.063 114.554 -0.031 0.000 3.035 369 T HA -0.087 4.264 4.350 0.000 0.000 0.259 369 T C 1.497 176.187 174.700 -0.018 0.000 1.078 369 T CA 0.569 62.795 62.100 0.210 0.000 1.132 369 T CB -0.083 69.014 68.868 0.381 0.000 0.900 369 T HN 0.359 nan 8.240 nan 0.000 0.480 370 E N 1.167 121.250 120.200 -0.196 0.000 2.150 370 E HA 0.085 4.435 4.350 0.000 0.000 0.193 370 E C 2.519 178.780 176.600 -0.566 0.000 0.985 370 E CA 0.893 57.124 56.400 -0.282 0.000 0.814 370 E CB -0.246 29.342 29.700 -0.186 0.000 0.752 370 E HN 0.705 nan 8.360 nan 0.000 0.466 371 A N 1.095 123.428 122.820 -0.811 0.000 1.898 371 A HA -0.142 4.178 4.320 0.000 0.000 0.216 371 A C 2.525 179.772 177.584 -0.562 0.000 1.181 371 A CA 1.509 52.956 52.037 -0.983 0.000 0.620 371 A CB -0.736 17.699 19.000 -0.941 0.000 0.819 371 A HN 0.217 nan 8.150 nan 0.000 0.442 372 V N -2.226 117.416 119.914 -0.453 0.000 2.515 372 V HA -0.265 3.855 4.120 0.000 0.000 0.250 372 V C 2.131 178.116 176.094 -0.182 0.000 1.058 372 V CA 2.028 64.001 62.300 -0.545 0.000 1.064 372 V CB -1.260 30.129 31.823 -0.723 0.000 0.675 372 V HN 0.590 nan 8.190 nan 0.000 0.461 373 Q N 0.496 120.215 119.800 -0.135 0.000 2.083 373 Q HA -0.165 4.176 4.340 0.000 0.000 0.198 373 Q C 2.357 178.373 176.000 0.027 0.000 0.969 373 Q CA 1.766 57.555 55.803 -0.023 0.000 0.838 373 Q CB -0.193 28.352 28.738 -0.321 0.000 0.900 373 Q HN 0.625 nan 8.270 nan 0.000 0.436 374 K N 1.063 121.388 120.400 -0.125 0.000 2.009 374 K HA -0.134 4.186 4.320 0.000 0.000 0.210 374 K C 1.812 178.296 176.600 -0.193 0.000 1.049 374 K CA 1.240 57.455 56.287 -0.120 0.000 0.929 374 K CB -0.116 32.313 32.500 -0.117 0.000 0.714 374 K HN 0.110 nan 8.250 nan 0.000 0.440 375 I N 0.093 120.517 120.570 -0.242 0.000 2.286 375 I HA -0.270 3.900 4.170 0.000 0.000 0.248 375 I C 1.973 178.050 176.117 -0.066 0.000 1.115 375 I CA 1.330 62.475 61.300 -0.259 0.000 1.392 375 I CB -0.362 37.514 38.000 -0.206 0.000 1.065 375 I HN 0.239 nan 8.210 nan 0.000 0.418 376 T N -0.115 114.491 114.554 0.087 0.000 2.708 376 T HA -0.165 4.185 4.350 0.000 0.000 0.266 376 T C 1.949 176.504 174.700 -0.242 0.000 1.037 376 T CA 2.000 64.060 62.100 -0.066 0.000 1.146 376 T CB -0.308 68.477 68.868 -0.137 0.000 0.865 376 T HN 0.339 nan 8.240 nan 0.000 0.435 377 T N 2.118 116.628 114.554 -0.073 0.000 2.684 377 T HA -0.110 4.240 4.350 0.000 0.000 0.267 377 T C 1.956 176.616 174.700 -0.068 0.000 1.036 377 T CA 1.251 63.378 62.100 0.046 0.000 1.148 377 T CB -0.295 68.702 68.868 0.216 0.000 0.863 377 T HN 0.539 nan 8.240 nan 0.000 0.436 378 E N 0.838 120.879 120.200 -0.265 0.000 2.085 378 E HA -0.102 4.248 4.350 0.000 0.000 0.194 378 E C 2.579 179.068 176.600 -0.185 0.000 0.994 378 E CA 1.204 57.344 56.400 -0.433 0.000 0.801 378 E CB -0.176 29.102 29.700 -0.704 0.000 0.743 378 E HN 0.328 nan 8.360 nan 0.000 0.453 379 S N 0.821 116.445 115.700 -0.127 0.000 2.368 379 S HA -0.115 4.355 4.470 0.000 0.000 0.225 379 S C 2.055 176.574 174.600 -0.135 0.000 1.030 379 S CA 0.761 58.980 58.200 0.030 0.000 0.999 379 S CB -0.149 63.045 63.200 -0.011 0.000 0.844 379 S HN 0.198 nan 8.310 nan 0.000 0.459 380 I N 1.009 121.396 120.570 -0.305 0.000 2.142 380 I HA -0.150 4.020 4.170 0.000 0.000 0.240 380 I C 2.173 178.096 176.117 -0.324 0.000 1.078 380 I CA 0.984 62.016 61.300 -0.447 0.000 1.343 380 I CB -0.570 37.074 38.000 -0.594 0.000 1.046 380 I HN 0.138 nan 8.210 nan 0.000 0.405 381 V N 1.112 120.874 119.914 -0.253 0.000 2.407 381 V HA -0.263 3.857 4.120 0.000 0.000 0.248 381 V C 2.198 178.223 176.094 -0.114 0.000 1.055 381 V CA 1.887 64.086 62.300 -0.168 0.000 1.049 381 V CB -0.380 31.489 31.823 0.077 0.000 0.662 381 V HN 0.361 nan 8.190 nan 0.000 0.455 382 I N -2.202 118.188 120.570 -0.301 0.000 2.703 382 I HA -0.069 4.101 4.170 0.000 0.000 0.259 382 I C 1.818 177.385 176.117 -0.916 0.000 1.151 382 I CA 1.067 61.969 61.300 -0.663 0.000 1.470 382 I CB -0.024 37.215 38.000 -1.268 0.000 1.112 382 I HN 0.390 nan 8.210 nan 0.000 0.437 383 W N 0.005 120.946 121.300 -0.599 0.000 2.355 383 W HA 0.368 5.028 4.660 0.000 0.000 0.303 383 W C 1.267 177.150 176.519 -1.061 0.000 0.939 383 W CA 0.425 57.219 57.345 -0.918 0.000 1.377 383 W CB -0.035 28.805 29.460 -1.034 0.000 1.048 383 W HN 0.209 nan 8.180 nan 0.000 0.542 384 G N 2.573 110.884 108.800 -0.815 0.000 2.198 384 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 384 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 384 G C 0.034 174.845 174.900 -0.149 0.000 1.025 384 G CA 1.112 45.980 45.100 -0.385 0.000 0.769 384 G HN 0.233 nan 8.290 nan 0.000 0.507 385 K N -0.799 119.464 120.400 -0.229 0.000 2.512 385 K HA 0.601 4.921 4.320 0.000 0.000 0.263 385 K C -0.716 175.722 176.600 -0.270 0.000 0.966 385 K CA -0.605 55.600 56.287 -0.136 0.000 0.851 385 K CB 1.491 34.063 32.500 0.120 0.000 1.395 385 K HN 0.008 nan 8.250 nan 0.000 0.440 386 T N 3.958 118.385 114.554 -0.212 0.000 2.806 386 T HA 0.367 4.717 4.350 0.000 0.000 0.290 386 T C -2.507 172.093 174.700 -0.167 0.000 0.966 386 T CA -1.295 60.673 62.100 -0.220 0.000 1.060 386 T CB 1.259 70.054 68.868 -0.122 0.000 0.927 386 T HN 0.392 nan 8.240 nan 0.000 0.485 387 P HA 0.299 nan 4.420 nan 0.000 0.282 387 P C -0.844 176.269 177.300 -0.312 0.000 1.249 387 P CA -0.744 62.131 63.100 -0.374 0.000 0.806 387 P CB 0.792 32.114 31.700 -0.630 0.000 0.984 388 K N 2.770 122.999 120.400 -0.286 0.000 2.316 388 K HA 0.279 4.599 4.320 0.000 0.000 0.289 388 K C -0.866 175.593 176.600 -0.236 0.000 1.070 388 K CA -0.288 55.895 56.287 -0.173 0.000 0.928 388 K CB -0.371 32.041 32.500 -0.147 0.000 1.039 388 K HN 0.207 nan 8.250 nan 0.000 0.480 389 F N 3.248 123.138 119.950 -0.101 0.000 2.384 389 F HA 0.248 4.775 4.527 0.000 0.000 0.338 389 F C 0.658 176.350 175.800 -0.179 0.000 1.103 389 F CA -0.274 57.645 58.000 -0.134 0.000 1.157 389 F CB 1.235 40.158 39.000 -0.128 0.000 1.167 389 F HN 0.279 nan 8.300 nan 0.000 0.529 390 K N 4.838 125.250 120.400 0.020 0.000 2.300 390 K HA 0.373 4.693 4.320 0.000 0.000 0.264 390 K C -0.991 175.568 176.600 -0.069 0.000 1.083 390 K CA -0.252 56.009 56.287 -0.044 0.000 0.958 390 K CB 0.590 33.092 32.500 0.003 0.000 1.318 390 K HN 0.487 nan 8.250 nan 0.000 0.448 391 L N 5.407 126.482 121.223 -0.247 0.000 2.281 391 L HA 0.235 4.575 4.340 0.000 0.000 0.285 391 L C -1.619 175.207 176.870 -0.074 0.000 1.074 391 L CA -1.915 52.751 54.840 -0.290 0.000 0.817 391 L CB 0.733 42.336 42.059 -0.759 0.000 1.168 391 L HN 0.342 nan 8.230 nan 0.000 0.434 392 P HA 0.152 nan 4.420 nan 0.000 0.228 392 P C -0.461 176.915 177.300 0.126 0.000 1.748 392 P CA 0.482 63.638 63.100 0.093 0.000 0.909 392 P CB 0.175 31.955 31.700 0.133 0.000 1.882 393 I N -1.454 119.194 120.570 0.130 0.000 2.913 393 I HA 0.285 4.455 4.170 0.000 0.000 0.302 393 I C -0.683 175.511 176.117 0.128 0.000 1.246 393 I CA -1.193 60.204 61.300 0.162 0.000 1.010 393 I CB 2.810 40.949 38.000 0.231 0.000 1.259 393 I HN -0.215 nan 8.210 nan 0.000 0.434 394 Q N 5.148 124.987 119.800 0.064 0.000 2.332 394 Q HA 0.036 4.376 4.340 0.000 0.000 0.263 394 Q C 0.616 176.448 176.000 -0.279 0.000 0.979 394 Q CA 0.409 56.181 55.803 -0.051 0.000 0.885 394 Q CB 1.501 30.232 28.738 -0.012 0.000 1.218 394 Q HN 0.765 nan 8.270 nan 0.000 0.405 395 K N 3.496 123.508 120.400 -0.647 0.000 2.015 395 K HA -0.249 4.071 4.320 0.000 0.000 0.220 395 K C 1.336 177.619 176.600 -0.528 0.000 1.055 395 K CA 2.242 57.773 56.287 -1.260 0.000 0.951 395 K CB 0.127 32.112 32.500 -0.859 0.000 0.725 395 K HN 0.614 nan 8.250 nan 0.000 0.449 396 E N -0.038 120.005 120.200 -0.262 0.000 2.085 396 E HA -0.172 4.178 4.350 0.000 0.000 0.194 396 E C 2.151 178.706 176.600 -0.076 0.000 0.994 396 E CA 1.773 58.089 56.400 -0.141 0.000 0.801 396 E CB -0.801 28.844 29.700 -0.091 0.000 0.743 396 E HN 0.424 nan 8.360 nan 0.000 0.453 397 T N 1.691 116.254 114.554 0.014 0.000 2.635 397 T HA -0.195 4.155 4.350 0.000 0.000 0.267 397 T C 1.329 176.171 174.700 0.235 0.000 1.040 397 T CA 1.507 63.718 62.100 0.185 0.000 1.156 397 T CB -0.486 68.514 68.868 0.221 0.000 0.863 397 T HN 0.430 nan 8.240 nan 0.000 0.430 398 W N 2.203 123.494 121.300 -0.015 0.000 2.358 398 W HA -0.108 4.552 4.660 0.000 0.000 0.303 398 W C 1.551 178.120 176.519 0.083 0.000 1.208 398 W CA 1.293 58.656 57.345 0.030 0.000 1.274 398 W CB -0.176 29.262 29.460 -0.037 0.000 1.138 398 W HN 0.414 nan 8.180 nan 0.000 0.515 399 E N -0.375 119.841 120.200 0.027 0.000 2.482 399 E HA -0.087 4.263 4.350 0.000 0.000 0.196 399 E C 1.924 178.347 176.600 -0.294 0.000 1.047 399 E CA 1.169 57.535 56.400 -0.056 0.000 0.869 399 E CB -0.084 29.601 29.700 -0.025 0.000 0.836 399 E HN 0.150 nan 8.360 nan 0.000 0.520 400 T N -0.148 114.204 114.554 -0.337 0.000 2.857 400 T HA -0.078 4.272 4.350 0.000 0.000 0.266 400 T C 0.950 175.128 174.700 -0.870 0.000 1.048 400 T CA 0.745 62.423 62.100 -0.703 0.000 1.139 400 T CB 0.052 68.261 68.868 -1.097 0.000 0.874 400 T HN 0.367 nan 8.240 nan 0.000 0.455 401 W N -0.101 121.049 121.300 -0.250 0.000 2.773 401 W HA 0.250 4.910 4.660 0.000 0.000 0.297 401 W C 1.829 178.089 176.519 -0.432 0.000 1.050 401 W CA -0.884 56.288 57.345 -0.289 0.000 1.467 401 W CB -0.376 29.046 29.460 -0.063 0.000 0.977 401 W HN 0.376 nan 8.180 nan 0.000 0.573 402 W N 2.135 123.125 121.300 -0.516 0.000 2.331 402 W HA -0.227 4.433 4.660 0.000 0.000 0.291 402 W C 1.504 177.856 176.519 -0.278 0.000 1.214 402 W CA 2.271 59.222 57.345 -0.658 0.000 1.228 402 W CB -1.797 26.683 29.460 -1.633 0.000 1.135 402 W HN -0.157 nan 8.180 nan 0.000 0.537 403 T N -1.172 112.659 114.554 -1.206 0.000 2.995 403 T HA -0.133 4.217 4.350 0.000 0.000 0.269 403 T C 1.330 175.820 174.700 -0.350 0.000 1.091 403 T CA 1.481 63.020 62.100 -0.935 0.000 1.128 403 T CB -0.431 67.863 68.868 -0.957 0.000 0.891 403 T HN 0.014 nan 8.240 nan 0.000 0.492 404 E N 0.211 120.125 120.200 -0.477 0.000 2.478 404 E HA 0.066 4.416 4.350 0.000 0.000 0.198 404 E C 0.262 176.481 176.600 -0.635 0.000 1.046 404 E CA 0.513 56.595 56.400 -0.531 0.000 0.870 404 E CB -0.188 29.122 29.700 -0.649 0.000 0.818 404 E HN 0.787 nan 8.360 nan 0.000 0.527 405 Y N -2.724 117.630 120.300 0.089 0.000 2.471 405 Y HA 0.200 4.750 4.550 0.000 0.000 0.249 405 Y C 0.364 176.377 175.900 0.187 0.000 1.116 405 Y CA -1.075 57.093 58.100 0.114 0.000 1.240 405 Y CB -0.196 38.318 38.460 0.090 0.000 1.251 405 Y HN 0.034 nan 8.280 nan 0.000 0.527 406 W N 2.794 124.162 121.300 0.113 0.000 2.170 406 W HA 0.118 4.778 4.660 0.000 0.000 0.336 406 W C 0.237 176.780 176.519 0.040 0.000 1.283 406 W CA 0.626 58.069 57.345 0.164 0.000 1.224 406 W CB 1.103 30.732 29.460 0.280 0.000 1.132 406 W HN 0.063 nan 8.180 nan 0.000 0.571 407 Q N 2.674 122.204 119.800 -0.451 0.000 2.040 407 Q HA 0.178 4.518 4.340 0.000 0.000 0.212 407 Q C 0.258 175.926 176.000 -0.553 0.000 0.766 407 Q CA -0.042 55.533 55.803 -0.378 0.000 0.967 407 Q CB 0.746 29.285 28.738 -0.332 0.000 1.202 407 Q HN 0.444 nan 8.270 nan 0.000 0.446 408 A N 0.641 122.887 122.820 -0.957 0.000 2.271 408 A HA 0.441 4.761 4.320 0.000 0.000 0.288 408 A C 1.222 178.508 177.584 -0.496 0.000 1.094 408 A CA 0.477 51.886 52.037 -1.048 0.000 0.828 408 A CB 0.472 18.268 19.000 -2.005 0.000 1.091 408 A HN 0.186 nan 8.150 nan 0.000 0.493 409 T N -2.087 112.118 114.554 -0.581 0.000 3.037 409 T HA 0.124 4.474 4.350 0.000 0.000 0.251 409 T C 0.510 175.243 174.700 0.056 0.000 1.079 409 T CA 0.044 62.043 62.100 -0.168 0.000 1.067 409 T CB -0.245 68.554 68.868 -0.115 0.000 0.948 409 T HN 0.690 nan 8.240 nan 0.000 0.496 410 W N 0.881 122.412 121.300 0.384 0.000 2.390 410 W HA 0.746 5.406 4.660 0.000 0.000 0.362 410 W C -1.067 175.814 176.519 0.605 0.000 1.206 410 W CA -1.687 55.911 57.345 0.422 0.000 1.355 410 W CB 0.454 30.169 29.460 0.425 0.000 1.278 410 W HN -0.075 nan 8.180 nan 0.000 0.653 411 I N 2.676 123.761 120.570 0.857 0.000 2.534 411 I HA 0.195 4.365 4.170 0.000 0.000 0.286 411 I C -2.149 174.158 176.117 0.316 0.000 1.094 411 I CA -2.278 59.386 61.300 0.608 0.000 1.055 411 I CB 2.119 40.260 38.000 0.236 0.000 1.225 411 I HN -0.007 nan 8.210 nan 0.000 0.435 412 P HA 0.147 nan 4.420 nan 0.000 0.272 412 P C -0.663 176.537 177.300 -0.166 0.000 1.223 412 P CA -0.275 62.932 63.100 0.179 0.000 0.784 412 P CB 0.707 32.682 31.700 0.458 0.000 0.923 413 E N 1.326 121.443 120.200 -0.138 0.000 2.418 413 E HA 0.160 4.510 4.350 0.000 0.000 0.261 413 E C -0.222 176.272 176.600 -0.177 0.000 1.070 413 E CA 0.524 56.750 56.400 -0.290 0.000 0.931 413 E CB 0.205 29.821 29.700 -0.139 0.000 0.954 413 E HN 0.543 nan 8.360 nan 0.000 0.439 414 W N -0.366 120.821 121.300 -0.188 0.000 2.961 414 W HA 0.528 5.188 4.660 0.000 0.000 0.368 414 W C -1.162 175.085 176.519 -0.454 0.000 1.213 414 W CA -1.003 56.141 57.345 -0.336 0.000 1.173 414 W CB 0.311 29.438 29.460 -0.556 0.000 1.487 414 W HN 0.557 nan 8.180 nan 0.000 0.585 415 E N 0.020 120.074 120.200 -0.244 0.000 2.407 415 E HA 0.673 5.023 4.350 0.000 0.000 0.279 415 E C -1.877 174.333 176.600 -0.650 0.000 1.012 415 E CA -0.994 55.161 56.400 -0.408 0.000 0.800 415 E CB 2.317 31.945 29.700 -0.120 0.000 1.276 415 E HN 0.251 nan 8.360 nan 0.000 0.452 416 F N 0.584 120.506 119.950 -0.048 0.000 2.458 416 F HA 0.703 5.230 4.527 0.000 0.000 0.330 416 F C -0.200 175.581 175.800 -0.031 0.000 1.082 416 F CA -1.082 56.862 58.000 -0.094 0.000 0.995 416 F CB 2.057 41.001 39.000 -0.093 0.000 1.170 416 F HN 0.301 nan 8.300 nan 0.000 0.478 417 V N 2.093 122.090 119.914 0.138 0.000 2.971 417 V HA 0.453 4.573 4.120 0.000 0.000 0.309 417 V C -1.376 174.769 176.094 0.085 0.000 1.130 417 V CA -0.892 61.464 62.300 0.093 0.000 0.964 417 V CB 2.349 34.209 31.823 0.061 0.000 1.029 417 V HN 0.750 nan 8.190 nan 0.000 0.427 418 N N 2.941 121.683 118.700 0.070 0.000 2.521 418 N HA 0.334 5.074 4.740 0.000 0.000 0.236 418 N C -0.329 175.208 175.510 0.045 0.000 1.067 418 N CA 0.071 53.153 53.050 0.053 0.000 0.939 418 N CB 1.225 39.739 38.487 0.044 0.000 1.201 418 N HN 0.709 nan 8.380 nan 0.000 0.511 419 T N 1.842 116.422 114.554 0.042 0.000 2.869 419 T HA 0.304 4.654 4.350 0.000 0.000 0.295 419 T C -2.284 172.417 174.700 0.000 0.000 0.987 419 T CA -1.659 60.462 62.100 0.034 0.000 1.109 419 T CB 0.244 69.139 68.868 0.044 0.000 0.932 419 T HN 0.182 nan 8.240 nan 0.000 0.518 420 P HA 0.210 nan 4.420 nan 0.000 0.264 420 P C -2.150 175.072 177.300 -0.131 0.000 1.193 420 P CA -1.284 61.784 63.100 -0.054 0.000 0.763 420 P CB 0.188 31.868 31.700 -0.033 0.000 0.810 421 P HA -0.103 nan 4.420 nan 0.000 0.234 421 P C 0.876 177.953 177.300 -0.372 0.000 1.162 421 P CA 0.588 63.566 63.100 -0.203 0.000 0.759 421 P CB 0.006 31.614 31.700 -0.152 0.000 0.813 422 L N -1.157 119.780 121.223 -0.476 0.000 2.121 422 L HA -0.050 4.290 4.340 0.000 0.000 0.200 422 L C 2.299 178.267 176.870 -1.503 0.000 1.077 422 L CA 1.471 55.720 54.840 -0.986 0.000 0.766 422 L CB -1.290 40.377 42.059 -0.654 0.000 0.931 422 L HN -0.185 nan 8.230 nan 0.000 0.452 423 V N 0.814 120.230 119.914 -0.829 0.000 2.594 423 V HA -0.281 3.839 4.120 0.000 0.000 0.253 423 V C 2.435 178.383 176.094 -0.243 0.000 1.069 423 V CA 1.767 63.780 62.300 -0.480 0.000 1.082 423 V CB -1.109 30.739 31.823 0.041 0.000 0.680 423 V HN 0.590 nan 8.190 nan 0.000 0.469 424 K N 0.112 120.358 120.400 -0.256 0.000 2.147 424 K HA -0.129 4.191 4.320 0.000 0.000 0.205 424 K C 2.104 178.616 176.600 -0.148 0.000 1.049 424 K CA 1.340 57.552 56.287 -0.124 0.000 0.936 424 K CB -0.253 32.164 32.500 -0.138 0.000 0.722 424 K HN 0.355 nan 8.250 nan 0.000 0.446 425 L N 0.287 121.297 121.223 -0.355 0.000 2.249 425 L HA 0.112 4.452 4.340 0.000 0.000 0.207 425 L C 1.761 178.575 176.870 -0.093 0.000 1.090 425 L CA 1.030 55.711 54.840 -0.264 0.000 0.802 425 L CB -0.817 40.999 42.059 -0.404 0.000 0.947 425 L HN 0.362 nan 8.230 nan 0.000 0.453 426 W N -0.734 120.330 121.300 -0.394 0.000 2.321 426 W HA -0.284 4.376 4.660 0.000 0.000 0.306 426 W C 1.855 178.102 176.519 -0.454 0.000 1.217 426 W CA 0.494 57.404 57.345 -0.725 0.000 1.257 426 W CB -0.321 28.028 29.460 -1.852 0.000 1.145 426 W HN 0.137 nan 8.180 nan 0.000 0.509 427 Y N -0.174 120.198 120.300 0.121 0.000 2.457 427 Y HA 0.098 4.648 4.550 0.000 0.000 0.263 427 Y C 1.578 177.542 175.900 0.107 0.000 1.164 427 Y CA 0.058 58.258 58.100 0.167 0.000 1.274 427 Y CB -0.632 37.932 38.460 0.172 0.000 1.097 427 Y HN -0.236 nan 8.280 nan 0.000 0.523 428 Q N 0.943 120.845 119.800 0.171 0.000 2.427 428 Q HA -0.030 4.310 4.340 0.000 0.000 0.310 428 Q C -0.022 176.044 176.000 0.109 0.000 1.167 428 Q CA 0.789 56.653 55.803 0.100 0.000 0.991 428 Q CB 0.727 29.490 28.738 0.041 0.000 1.287 428 Q HN 0.382 nan 8.270 nan 0.000 0.443 429 L N 0.143 121.412 121.223 0.076 0.000 2.421 429 L HA 0.522 4.862 4.340 0.000 0.000 0.267 429 L C 0.540 177.438 176.870 0.047 0.000 1.036 429 L CA -0.395 54.487 54.840 0.071 0.000 0.829 429 L CB 1.446 43.544 42.059 0.065 0.000 1.437 429 L HN 0.777 nan 8.230 nan 0.000 0.488 430 E N 0.000 120.225 120.200 0.041 0.000 2.725 430 E HA 0.000 4.350 4.350 0.000 0.000 0.291 430 E CA 0.000 56.416 56.400 0.026 0.000 0.976 430 E CB 0.000 29.718 29.700 0.030 0.000 0.812 430 E HN 0.000 nan 8.360 nan 0.000 0.440