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 2opp_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI XXXXXXXWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINNETPGIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LTTPDKKHQK EPPFLWMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLXKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQLEKEP IVGAETFYVD XXXXXXXXXX DATA SEQUENCE XAGYVTNRGR QKVVTLTDTT NQKTELQAIY LALQDSGLEV NIVTDSQYAL DATA SEQUENCE GIIQAQPDQS ESELVNQIIE QLIKKEKVYL AWVPAHXXXX XN 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 0.000 177.478 177.300 0.297 0.000 1.155 4 P CA 0.000 63.195 63.100 0.158 0.000 0.800 4 P CB 0.000 31.788 31.700 0.146 0.000 0.726 5 I N 0.943 121.712 120.570 0.331 0.000 2.472 5 I HA 0.294 4.475 4.170 0.019 0.000 0.290 5 I C 0.688 176.890 176.117 0.143 0.000 1.016 5 I CA -0.242 61.211 61.300 0.256 0.000 1.348 5 I CB 0.455 38.526 38.000 0.118 0.000 1.417 5 I HN 0.204 nan 8.210 nan 0.000 0.521 6 E N 3.579 123.842 120.200 0.105 0.000 2.461 6 E HA -0.006 4.356 4.350 0.019 0.000 0.263 6 E C -0.619 176.018 176.600 0.062 0.000 1.143 6 E CA 0.437 56.881 56.400 0.075 0.000 0.994 6 E CB 0.514 30.246 29.700 0.054 0.000 0.973 6 E HN 0.660 nan 8.360 nan 0.000 0.457 7 T N 1.265 115.856 114.554 0.060 0.000 2.794 7 T HA 0.288 4.650 4.350 0.019 0.000 0.280 7 T C -0.559 174.175 174.700 0.056 0.000 0.987 7 T CA -0.573 61.565 62.100 0.063 0.000 0.993 7 T CB 0.925 69.835 68.868 0.070 0.000 0.939 7 T HN 0.097 nan 8.240 nan 0.000 0.449 8 V N 8.376 128.325 119.914 0.059 0.000 2.408 8 V HA 0.275 4.406 4.120 0.019 0.000 0.267 8 V C -1.726 174.419 176.094 0.085 0.000 1.047 8 V CA -1.734 60.604 62.300 0.064 0.000 0.937 8 V CB 0.652 32.509 31.823 0.057 0.000 0.999 8 V HN 0.723 nan 8.190 nan 0.000 0.472 9 P HA 0.226 nan 4.420 nan 0.000 0.271 9 P C -0.791 176.552 177.300 0.072 0.000 1.216 9 P CA 0.125 63.271 63.100 0.076 0.000 0.771 9 P CB 1.366 33.103 31.700 0.061 0.000 0.864 10 V N 3.882 123.820 119.914 0.039 0.000 2.864 10 V HA 0.526 4.657 4.120 0.019 0.000 0.314 10 V C 0.288 176.342 176.094 -0.066 0.000 1.073 10 V CA -0.638 61.610 62.300 -0.086 0.000 0.956 10 V CB 2.275 33.908 31.823 -0.317 0.000 1.023 10 V HN 0.507 nan 8.190 nan 0.000 0.435 11 K N 1.961 122.300 120.400 -0.102 0.000 2.480 11 K HA 0.711 5.043 4.320 0.019 0.000 0.258 11 K C -1.465 175.166 176.600 0.053 0.000 0.990 11 K CA -0.848 55.471 56.287 0.053 0.000 0.857 11 K CB 2.588 35.094 32.500 0.010 0.000 1.384 11 K HN 0.431 nan 8.250 nan 0.000 0.446 12 L N 1.634 122.912 121.223 0.091 0.000 2.421 12 L HA 0.368 4.720 4.340 0.019 0.000 0.263 12 L C 0.393 177.245 176.870 -0.030 0.000 1.122 12 L CA -0.685 54.160 54.840 0.008 0.000 0.804 12 L CB 0.639 42.603 42.059 -0.158 0.000 1.150 12 L HN 0.430 nan 8.230 nan 0.000 0.457 13 K N 1.700 122.076 120.400 -0.041 0.000 2.397 13 K HA 0.064 4.396 4.320 0.019 0.000 0.265 13 K C -2.158 174.426 176.600 -0.027 0.000 0.982 13 K CA -1.085 55.175 56.287 -0.044 0.000 0.931 13 K CB 0.015 32.493 32.500 -0.036 0.000 0.943 13 K HN 0.357 nan 8.250 nan 0.000 0.501 14 P HA -0.090 nan 4.420 nan 0.000 0.264 14 P C 0.585 177.885 177.300 0.000 0.000 1.193 14 P CA 0.719 63.814 63.100 -0.007 0.000 0.763 14 P CB 0.911 32.606 31.700 -0.009 0.000 0.810 15 G N 3.045 111.851 108.800 0.010 0.000 2.900 15 G HA2 -0.310 3.661 3.960 0.019 0.000 0.223 15 G HA3 -0.310 3.661 3.960 0.019 0.000 0.223 15 G C 0.383 175.295 174.900 0.020 0.000 1.293 15 G CA 0.265 45.375 45.100 0.017 0.000 0.792 15 G HN 0.515 nan 8.290 nan 0.000 0.527 16 M N 1.416 121.021 119.600 0.008 0.000 2.233 16 M HA 0.378 4.869 4.480 0.019 0.000 0.307 16 M C 0.351 176.653 176.300 0.004 0.000 1.026 16 M CA 1.006 56.310 55.300 0.006 0.000 1.109 16 M CB 0.178 32.773 32.600 -0.009 0.000 1.463 16 M HN 0.493 nan 8.290 nan 0.000 0.436 17 D N 0.128 120.545 120.400 0.028 0.000 2.419 17 D HA 0.532 5.184 4.640 0.019 0.000 0.234 17 D C -0.027 176.288 176.300 0.025 0.000 1.014 17 D CA -0.208 53.843 54.000 0.085 0.000 0.919 17 D CB 1.313 42.223 40.800 0.183 0.000 1.366 17 D HN 0.607 nan 8.370 nan 0.000 0.490 18 G N 0.750 109.530 108.800 -0.034 0.000 2.785 18 G HA2 0.226 4.198 3.960 0.019 0.000 0.256 18 G HA3 0.226 4.198 3.960 0.019 0.000 0.256 18 G C -2.157 172.834 174.900 0.151 0.000 1.248 18 G CA -0.698 44.204 45.100 -0.331 0.000 0.914 18 G HN 0.503 nan 8.290 nan 0.000 0.580 19 P HA 0.332 nan 4.420 nan 0.000 0.284 19 P C -0.985 176.483 177.300 0.280 0.000 1.253 19 P CA -0.345 62.875 63.100 0.201 0.000 0.800 19 P CB 1.490 33.279 31.700 0.149 0.000 0.961 20 K N 1.463 121.963 120.400 0.167 0.000 3.301 20 K HA 0.267 4.598 4.320 0.019 0.000 0.170 20 K C -0.620 176.008 176.600 0.047 0.000 1.061 20 K CA -0.436 55.913 56.287 0.103 0.000 0.807 20 K CB 1.221 33.762 32.500 0.069 0.000 0.889 20 K HN 0.247 nan 8.250 nan 0.000 0.564 21 V N 0.689 120.621 119.914 0.028 0.000 2.370 21 V HA 0.426 4.557 4.120 0.019 0.000 0.279 21 V C -0.426 175.631 176.094 -0.061 0.000 1.029 21 V CA -0.639 61.657 62.300 -0.007 0.000 0.870 21 V CB 1.247 33.066 31.823 -0.006 0.000 0.984 21 V HN 0.236 nan 8.190 nan 0.000 0.451 22 K N 4.614 124.985 120.400 -0.049 0.000 2.355 22 K HA 0.215 4.546 4.320 0.019 0.000 0.270 22 K C 0.053 176.553 176.600 -0.167 0.000 1.003 22 K CA 0.256 56.497 56.287 -0.077 0.000 0.957 22 K CB 0.771 33.254 32.500 -0.029 0.000 0.939 22 K HN 0.929 nan 8.250 nan 0.000 0.482 23 Q N 4.158 123.829 119.800 -0.214 0.000 2.271 23 Q HA 0.145 4.497 4.340 0.019 0.000 0.273 23 Q C -1.145 174.735 176.000 -0.200 0.000 1.051 23 Q CA 0.053 55.629 55.803 -0.378 0.000 0.901 23 Q CB 0.125 28.709 28.738 -0.258 0.000 1.174 23 Q HN 0.462 nan 8.270 nan 0.000 0.385 24 W N 3.645 124.951 121.300 0.010 0.000 2.112 24 W HA 0.467 5.139 4.660 0.019 0.000 0.349 24 W C -2.267 174.270 176.519 0.029 0.000 1.289 24 W CA -2.541 54.819 57.345 0.025 0.000 1.256 24 W CB -1.079 28.405 29.460 0.040 0.000 1.148 24 W HN 0.564 nan 8.180 nan 0.000 0.590 25 P HA 0.023 nan 4.420 nan 0.000 0.264 25 P C -0.536 176.910 177.300 0.243 0.000 1.183 25 P CA 0.388 63.608 63.100 0.199 0.000 0.763 25 P CB 0.328 32.111 31.700 0.139 0.000 0.807 26 L N 2.671 123.989 121.223 0.158 0.000 2.333 26 L HA 0.276 4.627 4.340 0.019 0.000 0.280 26 L C 0.607 177.516 176.870 0.064 0.000 1.004 26 L CA -0.644 54.280 54.840 0.139 0.000 0.820 26 L CB 1.754 43.880 42.059 0.112 0.000 1.247 26 L HN 0.259 nan 8.230 nan 0.000 0.416 27 T N 1.939 116.523 114.554 0.049 0.000 2.908 27 T HA -0.088 4.273 4.350 0.019 0.000 0.301 27 T C 1.272 175.954 174.700 -0.030 0.000 1.019 27 T CA 0.402 62.510 62.100 0.014 0.000 1.152 27 T CB 0.494 69.372 68.868 0.017 0.000 0.966 27 T HN 0.695 nan 8.240 nan 0.000 0.540 28 E N 2.703 122.890 120.200 -0.022 0.000 2.219 28 E HA -0.235 4.126 4.350 0.019 0.000 0.198 28 E C 1.838 178.388 176.600 -0.085 0.000 0.998 28 E CA 1.475 57.852 56.400 -0.039 0.000 0.818 28 E CB 0.091 29.780 29.700 -0.018 0.000 0.741 28 E HN 0.857 nan 8.360 nan 0.000 0.477 29 E N 0.356 120.496 120.200 -0.100 0.000 2.152 29 E HA -0.165 4.196 4.350 0.019 0.000 0.192 29 E C 1.754 178.090 176.600 -0.439 0.000 0.983 29 E CA 0.796 57.093 56.400 -0.172 0.000 0.818 29 E CB 0.164 29.827 29.700 -0.061 0.000 0.758 29 E HN 0.156 nan 8.360 nan 0.000 0.467 30 K N 0.185 120.348 120.400 -0.396 0.000 2.137 30 K HA 0.050 4.382 4.320 0.019 0.000 0.202 30 K C 2.169 178.572 176.600 -0.328 0.000 1.052 30 K CA 0.679 56.642 56.287 -0.539 0.000 0.961 30 K CB 0.094 32.423 32.500 -0.286 0.000 0.741 30 K HN 0.160 nan 8.250 nan 0.000 0.452 31 I N 1.652 122.117 120.570 -0.175 0.000 2.127 31 I HA -0.349 3.833 4.170 0.019 0.000 0.241 31 I C 2.056 178.107 176.117 -0.110 0.000 1.075 31 I CA 1.510 62.752 61.300 -0.097 0.000 1.334 31 I CB -0.273 37.698 38.000 -0.048 0.000 1.040 31 I HN 0.136 nan 8.210 nan 0.000 0.405 32 K N 1.019 121.343 120.400 -0.126 0.000 2.015 32 K HA -0.258 4.074 4.320 0.019 0.000 0.216 32 K C 2.276 178.807 176.600 -0.115 0.000 1.052 32 K CA 1.926 58.154 56.287 -0.098 0.000 0.937 32 K CB -0.534 31.911 32.500 -0.091 0.000 0.719 32 K HN 0.347 nan 8.250 nan 0.000 0.446 33 A N 1.579 124.266 122.820 -0.222 0.000 1.884 33 A HA -0.221 4.111 4.320 0.019 0.000 0.219 33 A C 2.210 179.730 177.584 -0.108 0.000 1.197 33 A CA 1.760 53.676 52.037 -0.201 0.000 0.637 33 A CB -0.926 17.745 19.000 -0.548 0.000 0.827 33 A HN 0.245 nan 8.150 nan 0.000 0.450 34 L N -0.622 120.521 121.223 -0.132 0.000 2.141 34 L HA -0.138 4.214 4.340 0.019 0.000 0.209 34 L C 2.402 179.253 176.870 -0.032 0.000 1.094 34 L CA 0.816 55.618 54.840 -0.062 0.000 0.763 34 L CB -0.348 41.685 42.059 -0.043 0.000 0.908 34 L HN 0.281 nan 8.230 nan 0.000 0.437 35 V N -0.450 119.451 119.914 -0.022 0.000 2.548 35 V HA -0.192 3.940 4.120 0.019 0.000 0.249 35 V C 2.208 178.302 176.094 0.001 0.000 1.055 35 V CA 1.434 63.740 62.300 0.010 0.000 1.065 35 V CB -0.357 31.477 31.823 0.018 0.000 0.681 35 V HN 0.464 nan 8.190 nan 0.000 0.462 36 E N -0.091 120.104 120.200 -0.009 0.000 2.107 36 E HA -0.108 4.253 4.350 0.019 0.000 0.191 36 E C 2.204 178.798 176.600 -0.010 0.000 0.982 36 E CA 0.957 57.357 56.400 0.001 0.000 0.809 36 E CB -0.024 29.685 29.700 0.014 0.000 0.756 36 E HN 0.418 nan 8.360 nan 0.000 0.459 37 I N 0.940 121.499 120.570 -0.018 0.000 2.193 37 I HA -0.229 3.952 4.170 0.019 0.000 0.240 37 I C 2.450 178.510 176.117 -0.093 0.000 1.084 37 I CA 0.908 62.190 61.300 -0.031 0.000 1.365 37 I CB -1.112 36.883 38.000 -0.008 0.000 1.064 37 I HN 0.241 nan 8.210 nan 0.000 0.410 38 C N 0.490 119.705 119.300 -0.141 0.000 2.422 38 C HA -0.123 4.348 4.460 0.019 0.000 0.279 38 C C 2.988 177.817 174.990 -0.269 0.000 1.305 38 C CA 1.107 59.928 59.018 -0.329 0.000 1.757 38 C CB -1.121 26.306 27.740 -0.521 0.000 1.962 38 C HN 0.520 nan 8.230 nan 0.000 0.499 39 T N 0.064 114.571 114.554 -0.078 0.000 2.821 39 T HA -0.181 4.180 4.350 0.019 0.000 0.267 39 T C 1.827 176.520 174.700 -0.013 0.000 1.046 39 T CA 1.558 63.669 62.100 0.018 0.000 1.139 39 T CB -0.252 68.640 68.868 0.040 0.000 0.871 39 T HN 0.697 nan 8.240 nan 0.000 0.454 40 E N 0.417 120.591 120.200 -0.042 0.000 2.107 40 E HA -0.031 4.330 4.350 0.019 0.000 0.191 40 E C 2.133 178.687 176.600 -0.076 0.000 0.982 40 E CA 0.662 57.035 56.400 -0.044 0.000 0.809 40 E CB -0.117 29.559 29.700 -0.040 0.000 0.756 40 E HN 0.456 nan 8.360 nan 0.000 0.459 41 M N 0.502 120.028 119.600 -0.123 0.000 2.358 41 M HA -0.159 4.332 4.480 0.019 0.000 0.264 41 M C 2.085 178.322 176.300 -0.104 0.000 1.064 41 M CA 1.285 56.487 55.300 -0.163 0.000 1.093 41 M CB -0.047 32.418 32.600 -0.224 0.000 1.401 41 M HN 0.123 nan 8.290 nan 0.000 0.440 42 E N 0.046 120.214 120.200 -0.053 0.000 2.385 42 E HA -0.134 4.228 4.350 0.019 0.000 0.194 42 E C 1.621 178.227 176.600 0.010 0.000 1.013 42 E CA 0.680 57.095 56.400 0.025 0.000 0.866 42 E CB 0.356 30.140 29.700 0.140 0.000 0.832 42 E HN 0.103 nan 8.360 nan 0.000 0.500 43 K N 0.421 120.815 120.400 -0.010 0.000 2.314 43 K HA 0.016 4.347 4.320 0.019 0.000 0.198 43 K C 1.402 177.993 176.600 -0.016 0.000 1.045 43 K CA 0.672 56.954 56.287 -0.008 0.000 0.988 43 K CB 0.310 32.805 32.500 -0.009 0.000 0.783 43 K HN 0.013 nan 8.250 nan 0.000 0.484 44 E N -1.718 118.461 120.200 -0.034 0.000 2.250 44 E HA 0.147 4.508 4.350 0.019 0.000 0.192 44 E C 0.899 177.488 176.600 -0.018 0.000 0.986 44 E CA 0.959 57.337 56.400 -0.036 0.000 0.849 44 E CB 0.634 30.288 29.700 -0.076 0.000 0.797 44 E HN 0.316 nan 8.360 nan 0.000 0.482 45 G N -0.205 108.586 108.800 -0.016 0.000 2.336 45 G HA2 -0.259 3.713 3.960 0.019 0.000 0.194 45 G HA3 -0.259 3.713 3.960 0.019 0.000 0.194 45 G C 1.125 176.037 174.900 0.020 0.000 0.999 45 G CA 0.294 45.400 45.100 0.010 0.000 0.669 45 G HN 0.101 nan 8.290 nan 0.000 0.482 46 K N 0.467 120.860 120.400 -0.013 0.000 2.059 46 K HA 0.075 4.406 4.320 0.019 0.000 0.212 46 K C 1.494 178.110 176.600 0.027 0.000 1.050 46 K CA 1.992 58.288 56.287 0.015 0.000 0.927 46 K CB -0.202 32.226 32.500 -0.119 0.000 0.714 46 K HN 0.863 nan 8.250 nan 0.000 0.447 47 I N -5.118 115.433 120.570 -0.033 0.000 3.239 47 I HA 0.503 4.684 4.170 0.019 0.000 0.314 47 I C -0.930 175.227 176.117 0.067 0.000 1.126 47 I CA -1.076 60.214 61.300 -0.018 0.000 0.973 47 I CB 2.705 40.642 38.000 -0.104 0.000 1.252 47 I HN -0.352 nan 8.210 nan 0.000 0.463 48 S N 0.848 116.603 115.700 0.092 0.000 2.546 48 S HA 0.395 4.876 4.470 0.019 0.000 0.272 48 S C -0.990 173.559 174.600 -0.085 0.000 1.140 48 S CA -0.943 57.277 58.200 0.033 0.000 0.920 48 S CB 1.930 65.124 63.200 -0.010 0.000 1.083 48 S HN 0.494 nan 8.310 nan 0.000 0.476 49 K N 2.356 122.614 120.400 -0.236 0.000 2.382 49 K HA 0.388 4.719 4.320 0.019 0.000 0.275 49 K C -0.038 176.391 176.600 -0.285 0.000 1.009 49 K CA 0.044 56.047 56.287 -0.473 0.000 0.970 49 K CB 0.286 32.502 32.500 -0.475 0.000 0.934 49 K HN 0.654 nan 8.250 nan 0.000 0.479 50 I N -2.023 118.370 120.570 -0.295 0.000 2.689 50 I HA 0.470 4.651 4.170 0.019 0.000 0.299 50 I C 0.136 176.147 176.117 -0.176 0.000 1.059 50 I CA -1.094 60.090 61.300 -0.194 0.000 1.055 50 I CB 1.965 39.869 38.000 -0.160 0.000 1.243 50 I HN 0.531 nan 8.210 nan 0.000 0.425 51 G N 3.782 112.503 108.800 -0.132 0.000 2.398 51 G HA2 0.359 4.330 3.960 0.019 0.000 0.246 51 G HA3 0.359 4.330 3.960 0.019 0.000 0.246 51 G C -2.382 172.453 174.900 -0.108 0.000 1.289 51 G CA -1.125 43.907 45.100 -0.114 0.000 0.869 51 G HN 0.595 nan 8.290 nan 0.000 0.543 52 P HA 0.073 nan 4.420 nan 0.000 0.229 52 P C 0.227 177.476 177.300 -0.085 0.000 1.597 52 P CA 0.522 63.565 63.100 -0.094 0.000 1.030 52 P CB -0.019 31.630 31.700 -0.086 0.000 1.897 53 E N -1.139 119.008 120.200 -0.088 0.000 2.603 53 E HA 0.015 4.377 4.350 0.019 0.000 0.224 53 E C 0.278 176.817 176.600 -0.102 0.000 0.896 53 E CA -0.286 56.062 56.400 -0.085 0.000 1.224 53 E CB -0.562 29.094 29.700 -0.072 0.000 1.206 53 E HN 0.023 nan 8.360 nan 0.000 0.576 54 N N 3.067 121.708 118.700 -0.098 0.000 2.448 54 N HA 0.115 4.867 4.740 0.019 0.000 0.250 54 N C -1.311 174.114 175.510 -0.142 0.000 1.136 54 N CA -1.562 51.432 53.050 -0.094 0.000 0.953 54 N CB 0.926 39.384 38.487 -0.048 0.000 1.251 54 N HN -0.044 nan 8.380 nan 0.000 0.502 55 P HA -0.167 nan 4.420 nan 0.000 0.221 55 P C -0.403 176.733 177.300 -0.272 0.000 1.145 55 P CA 0.984 63.888 63.100 -0.327 0.000 0.795 55 P CB 0.012 31.437 31.700 -0.459 0.000 0.775 56 Y N 1.096 121.394 120.300 -0.003 0.000 2.397 56 Y HA 0.328 4.890 4.550 0.019 0.000 0.335 56 Y C 1.201 177.107 175.900 0.009 0.000 1.213 56 Y CA 0.070 58.186 58.100 0.026 0.000 1.391 56 Y CB -0.121 38.375 38.460 0.060 0.000 1.293 56 Y HN 0.007 nan 8.280 nan 0.000 0.557 57 N N -0.436 118.380 118.700 0.193 0.000 2.555 57 N HA 0.408 5.159 4.740 0.019 0.000 0.265 57 N C -1.940 173.611 175.510 0.068 0.000 1.135 57 N CA -0.470 52.638 53.050 0.098 0.000 0.925 57 N CB 1.596 40.095 38.487 0.020 0.000 1.662 57 N HN 0.505 nan 8.380 nan 0.000 0.489 58 T N 3.235 117.811 114.554 0.037 0.000 2.879 58 T HA 0.522 4.883 4.350 0.019 0.000 0.290 58 T C -2.739 171.805 174.700 -0.261 0.000 0.993 58 T CA -0.845 61.202 62.100 -0.088 0.000 0.975 58 T CB 1.860 70.696 68.868 -0.054 0.000 0.981 58 T HN 0.368 nan 8.240 nan 0.000 0.439 59 P HA 0.186 nan 4.420 nan 0.000 0.269 59 P C -1.133 175.707 177.300 -0.766 0.000 1.205 59 P CA -0.202 62.390 63.100 -0.846 0.000 0.780 59 P CB 0.477 31.437 31.700 -1.233 0.000 0.858 60 V N 1.869 121.307 119.914 -0.792 0.000 2.852 60 V HA 0.451 4.582 4.120 0.019 0.000 0.300 60 V C -0.653 175.415 176.094 -0.044 0.000 1.205 60 V CA -0.467 61.568 62.300 -0.443 0.000 0.940 60 V CB 1.412 33.052 31.823 -0.305 0.000 1.047 60 V HN 0.424 nan 8.190 nan 0.000 0.429 61 F N 1.595 121.703 119.950 0.264 0.000 2.679 61 F HA 1.035 5.573 4.527 0.019 0.000 0.341 61 F C 0.047 175.955 175.800 0.180 0.000 1.095 61 F CA -2.580 55.636 58.000 0.360 0.000 1.004 61 F CB 1.271 40.535 39.000 0.440 0.000 1.388 61 F HN 0.620 nan 8.300 nan 0.000 0.505 62 A N 1.077 124.153 122.820 0.427 0.000 2.343 62 A HA 0.818 5.149 4.320 0.019 0.000 0.316 62 A C -1.165 176.669 177.584 0.417 0.000 1.104 62 A CA -0.453 51.775 52.037 0.319 0.000 0.768 62 A CB 0.654 19.650 19.000 -0.008 0.000 1.213 62 A HN 0.595 nan 8.150 nan 0.000 0.456 72 R N 2.728 123.402 120.500 0.290 0.000 2.628 72 R HA 0.383 4.734 4.340 0.019 0.000 0.288 72 R C -0.624 175.809 176.300 0.222 0.000 0.980 72 R CA -0.632 55.588 56.100 0.200 0.000 0.891 72 R CB 1.752 32.133 30.300 0.135 0.000 1.188 72 R HN 0.273 nan 8.270 nan 0.000 0.450 73 K N 4.554 125.056 120.400 0.171 0.000 2.297 73 K HA 0.233 4.564 4.320 0.019 0.000 0.286 73 K C -1.233 175.470 176.600 0.171 0.000 1.053 73 K CA -0.417 55.955 56.287 0.142 0.000 0.940 73 K CB 0.643 33.162 32.500 0.032 0.000 1.019 73 K HN 0.448 nan 8.250 nan 0.000 0.475 74 L N 6.106 127.480 121.223 0.252 0.000 2.316 74 L HA 0.293 4.645 4.340 0.019 0.000 0.280 74 L C -1.209 175.747 176.870 0.144 0.000 1.006 74 L CA -0.636 54.384 54.840 0.299 0.000 0.836 74 L CB 1.643 44.002 42.059 0.500 0.000 1.221 74 L HN 0.340 nan 8.230 nan 0.000 0.418 75 V N 3.372 123.261 119.914 -0.042 0.000 2.509 75 V HA 0.309 4.440 4.120 0.019 0.000 0.284 75 V C -0.267 175.581 176.094 -0.410 0.000 1.047 75 V CA -0.653 61.423 62.300 -0.373 0.000 0.952 75 V CB 1.565 33.072 31.823 -0.526 0.000 0.988 75 V HN 0.676 nan 8.190 nan 0.000 0.469 76 D N 2.796 122.855 120.400 -0.570 0.000 2.468 76 D HA 0.287 4.938 4.640 0.019 0.000 0.218 76 D C 0.177 176.285 176.300 -0.320 0.000 1.155 76 D CA -0.087 53.713 54.000 -0.334 0.000 0.924 76 D CB 0.141 40.777 40.800 -0.273 0.000 1.029 76 D HN 0.443 nan 8.370 nan 0.000 0.515 77 F N 1.695 121.674 119.950 0.049 0.000 2.692 77 F HA 0.114 4.652 4.527 0.019 0.000 0.303 77 F C 2.253 178.122 175.800 0.115 0.000 1.114 77 F CA -0.413 57.646 58.000 0.098 0.000 1.361 77 F CB 0.254 39.350 39.000 0.161 0.000 1.063 77 F HN 0.347 nan 8.300 nan 0.000 0.550 78 R N 0.211 120.843 120.500 0.220 0.000 2.341 78 R HA -0.179 4.172 4.340 0.019 0.000 0.213 78 R C 1.461 177.856 176.300 0.158 0.000 1.082 78 R CA 1.563 57.768 56.100 0.174 0.000 1.017 78 R CB -0.187 30.192 30.300 0.131 0.000 0.860 78 R HN 0.248 nan 8.270 nan 0.000 0.473 79 E N 0.717 121.019 120.200 0.171 0.000 2.132 79 E HA -0.037 4.324 4.350 0.019 0.000 0.193 79 E C 1.712 178.415 176.600 0.172 0.000 0.951 79 E CA 0.304 56.790 56.400 0.142 0.000 0.843 79 E CB -0.180 29.586 29.700 0.111 0.000 0.807 79 E HN 0.241 nan 8.360 nan 0.000 0.467 80 L N 1.303 122.680 121.223 0.256 0.000 2.042 80 L HA -0.144 4.208 4.340 0.019 0.000 0.210 80 L C 1.472 178.519 176.870 0.294 0.000 1.076 80 L CA 1.850 56.855 54.840 0.275 0.000 0.749 80 L CB -0.880 41.413 42.059 0.391 0.000 0.893 80 L HN 0.116 nan 8.230 nan 0.000 0.432 81 N N 0.229 119.114 118.700 0.308 0.000 2.094 81 N HA -0.232 4.519 4.740 0.019 0.000 0.191 81 N C 1.822 177.406 175.510 0.123 0.000 1.023 81 N CA 1.545 54.719 53.050 0.207 0.000 0.857 81 N CB -0.307 38.276 38.487 0.159 0.000 1.013 81 N HN 0.384 nan 8.380 nan 0.000 0.426 82 K N 0.278 120.745 120.400 0.112 0.000 2.360 82 K HA 0.032 4.364 4.320 0.019 0.000 0.201 82 K C 1.593 178.225 176.600 0.053 0.000 1.046 82 K CA 0.836 57.164 56.287 0.069 0.000 0.945 82 K CB 0.167 32.708 32.500 0.068 0.000 0.750 82 K HN 0.183 nan 8.250 nan 0.000 0.464 83 R N -1.012 119.533 120.500 0.074 0.000 2.335 83 R HA 0.112 4.463 4.340 0.019 0.000 0.210 83 R C 0.106 176.436 176.300 0.051 0.000 0.892 83 R CA 0.082 56.206 56.100 0.039 0.000 1.048 83 R CB 0.736 31.042 30.300 0.011 0.000 1.067 83 R HN -0.074 nan 8.270 nan 0.000 0.524 84 T N 2.674 117.305 114.554 0.128 0.000 2.907 84 T HA 0.026 4.388 4.350 0.019 0.000 0.298 84 T C 0.113 174.775 174.700 -0.063 0.000 1.017 84 T CA -0.294 61.899 62.100 0.156 0.000 1.118 84 T CB 1.103 70.168 68.868 0.328 0.000 0.948 84 T HN 0.230 nan 8.240 nan 0.000 0.531 85 Q N 2.305 121.981 119.800 -0.206 0.000 2.479 85 Q HA 0.076 4.427 4.340 0.019 0.000 0.267 85 Q C -0.755 174.904 176.000 -0.568 0.000 1.071 85 Q CA -0.354 55.224 55.803 -0.375 0.000 0.935 85 Q CB 0.392 28.845 28.738 -0.476 0.000 1.295 85 Q HN 0.383 nan 8.270 nan 0.000 0.476 86 D N 1.094 121.250 120.400 -0.407 0.000 2.382 86 D HA 0.259 4.910 4.640 0.019 0.000 0.245 86 D C -0.934 175.083 176.300 -0.472 0.000 1.120 86 D CA 0.176 53.989 54.000 -0.310 0.000 0.890 86 D CB 0.370 41.082 40.800 -0.147 0.000 1.201 86 D HN 0.360 nan 8.370 nan 0.000 0.433 87 F N 0.271 120.155 119.950 -0.110 0.000 2.594 87 F HA 0.306 4.844 4.527 0.019 0.000 0.335 87 F C 0.449 176.251 175.800 0.005 0.000 1.058 87 F CA -1.188 56.769 58.000 -0.071 0.000 0.981 87 F CB 0.996 39.897 39.000 -0.165 0.000 1.289 87 F HN 0.248 nan 8.300 nan 0.000 0.490 88 W N 3.496 124.875 121.300 0.131 0.000 2.251 88 W HA 0.147 4.818 4.660 0.019 0.000 0.327 88 W C -0.187 176.348 176.519 0.026 0.000 1.361 88 W CA -0.708 56.663 57.345 0.044 0.000 1.234 88 W CB 0.589 30.064 29.460 0.025 0.000 1.212 88 W HN 0.692 nan 8.180 nan 0.000 0.557 89 E N 2.300 121.934 120.200 -0.944 0.000 2.829 89 E HA -0.144 4.217 4.350 0.019 0.000 0.264 89 E C 0.581 176.911 176.600 -0.450 0.000 0.922 89 E CA -0.056 55.924 56.400 -0.700 0.000 0.960 89 E CB 0.422 29.616 29.700 -0.844 0.000 0.918 89 E HN 0.308 nan 8.360 nan 0.000 0.497 90 V N 2.740 122.507 119.914 -0.246 0.000 2.515 90 V HA -0.281 3.850 4.120 0.019 0.000 0.250 90 V C 1.784 177.822 176.094 -0.094 0.000 1.058 90 V CA 2.413 64.626 62.300 -0.145 0.000 1.064 90 V CB -1.419 30.331 31.823 -0.122 0.000 0.675 90 V HN 0.957 nan 8.190 nan 0.000 0.461 91 Q N -1.371 118.369 119.800 -0.100 0.000 1.962 91 Q HA 0.204 4.556 4.340 0.019 0.000 0.152 91 Q C 0.749 176.737 176.000 -0.020 0.000 0.582 91 Q CA -0.200 55.595 55.803 -0.013 0.000 0.862 91 Q CB 0.587 29.364 28.738 0.065 0.000 1.048 91 Q HN 0.136 nan 8.270 nan 0.000 0.288 92 L N 2.035 123.239 121.223 -0.030 0.000 3.709 92 L HA -0.119 4.232 4.340 0.019 0.000 0.626 92 L C -0.384 176.499 176.870 0.022 0.000 1.119 92 L CA 0.945 55.767 54.840 -0.029 0.000 0.996 92 L CB -1.183 40.820 42.059 -0.093 0.000 1.327 92 L HN 0.898 nan 8.230 nan 0.000 0.808 93 G N 3.644 112.478 108.800 0.057 0.000 3.393 93 G HA2 0.096 4.068 3.960 0.019 0.000 0.676 93 G HA3 0.096 4.068 3.960 0.019 0.000 0.676 93 G C -0.658 174.322 174.900 0.133 0.000 1.224 93 G CA -0.331 44.815 45.100 0.077 0.000 1.109 93 G HN 1.262 nan 8.290 nan 0.000 0.519 94 I N 0.924 121.572 120.570 0.129 0.000 2.707 94 I HA 0.898 5.080 4.170 0.019 0.000 0.309 94 I C -1.493 174.707 176.117 0.137 0.000 1.001 94 I CA -2.623 58.798 61.300 0.201 0.000 1.129 94 I CB 1.814 39.894 38.000 0.134 0.000 1.308 94 I HN 0.341 nan 8.210 nan 0.000 0.466 95 P HA 0.116 nan 4.420 nan 0.000 0.274 95 P C -1.130 176.155 177.300 -0.025 0.000 1.231 95 P CA 0.095 63.171 63.100 -0.040 0.000 0.790 95 P CB 0.582 32.122 31.700 -0.268 0.000 0.951 96 H N 2.100 121.020 119.070 -0.251 0.000 2.473 96 H HA 0.180 4.747 4.556 0.019 0.000 0.327 96 H C -1.735 173.246 175.328 -0.578 0.000 1.105 96 H CA -1.881 53.923 56.048 -0.406 0.000 1.280 96 H CB 1.480 30.987 29.762 -0.426 0.000 1.450 96 H HN 0.132 nan 8.280 nan 0.000 0.492 97 P HA -0.176 nan 4.420 nan 0.000 0.216 97 P C 1.114 178.121 177.300 -0.487 0.000 1.154 97 P CA 2.303 64.840 63.100 -0.939 0.000 0.865 97 P CB -0.026 30.557 31.700 -1.862 0.000 0.789 98 A N -0.685 121.941 122.820 -0.323 0.000 2.139 98 A HA -0.094 4.237 4.320 0.019 0.000 0.221 98 A C 2.278 180.059 177.584 0.329 0.000 1.159 98 A CA 1.954 54.127 52.037 0.226 0.000 0.662 98 A CB -1.601 17.601 19.000 0.335 0.000 0.796 98 A HN 0.347 nan 8.150 nan 0.000 0.463 99 G N -1.135 107.649 108.800 -0.027 0.000 2.796 99 G HA2 0.330 4.302 3.960 0.019 0.000 0.210 99 G HA3 0.330 4.302 3.960 0.019 0.000 0.210 99 G C 0.625 175.581 174.900 0.093 0.000 1.146 99 G CA -0.300 44.747 45.100 -0.088 0.000 0.779 99 G HN 0.395 nan 8.290 nan 0.000 0.535 100 L N 0.419 121.642 121.223 0.000 0.000 2.482 100 L HA 0.261 4.612 4.340 0.019 0.000 0.273 100 L C 0.332 177.166 176.870 -0.060 0.000 1.228 100 L CA 0.080 54.831 54.840 -0.149 0.000 0.827 100 L CB 0.551 42.354 42.059 -0.427 0.000 1.099 100 L HN 0.012 nan 8.230 nan 0.000 0.494 101 K N 0.980 121.274 120.400 -0.177 0.000 2.123 101 K HA 0.315 4.646 4.320 0.019 0.000 0.248 101 K C -0.525 175.913 176.600 -0.270 0.000 0.969 101 K CA -0.849 55.388 56.287 -0.084 0.000 0.882 101 K CB 1.337 33.822 32.500 -0.025 0.000 1.080 101 K HN 0.317 nan 8.250 nan 0.000 0.441 102 K N 2.187 122.576 120.400 -0.019 0.000 2.368 102 K HA 0.072 4.404 4.320 0.019 0.000 0.282 102 K C -0.642 175.962 176.600 0.006 0.000 1.035 102 K CA 0.056 56.388 56.287 0.076 0.000 0.973 102 K CB 0.513 33.146 32.500 0.222 0.000 0.957 102 K HN 0.281 nan 8.250 nan 0.000 0.474 103 K N 3.321 123.727 120.400 0.009 0.000 2.395 103 K HA 0.200 4.531 4.320 0.019 0.000 0.247 103 K C 0.291 176.921 176.600 0.051 0.000 0.973 103 K CA -0.794 55.506 56.287 0.022 0.000 0.828 103 K CB 1.689 34.193 32.500 0.007 0.000 1.272 103 K HN 0.474 nan 8.250 nan 0.000 0.439 104 K N 0.535 120.960 120.400 0.042 0.000 2.076 104 K HA 0.092 4.423 4.320 0.019 0.000 0.204 104 K C 0.068 176.661 176.600 -0.011 0.000 1.051 104 K CA 0.906 57.210 56.287 0.027 0.000 0.949 104 K CB 0.331 32.848 32.500 0.029 0.000 0.726 104 K HN 0.477 nan 8.250 nan 0.000 0.443 105 S N -0.152 115.511 115.700 -0.062 0.000 2.548 105 S HA 0.492 4.973 4.470 0.019 0.000 0.286 105 S C -1.087 173.449 174.600 -0.107 0.000 1.098 105 S CA -0.830 57.228 58.200 -0.237 0.000 0.930 105 S CB 2.885 65.594 63.200 -0.817 0.000 1.070 105 S HN -0.082 nan 8.310 nan 0.000 0.480 106 V N 2.095 122.016 119.914 0.011 0.000 2.612 106 V HA 0.515 4.647 4.120 0.019 0.000 0.301 106 V C -0.621 175.651 176.094 0.296 0.000 1.059 106 V CA -0.508 61.910 62.300 0.197 0.000 0.886 106 V CB 2.023 34.010 31.823 0.275 0.000 1.007 106 V HN 0.929 nan 8.190 nan 0.000 0.426 107 T N 3.824 118.526 114.554 0.246 0.000 2.829 107 T HA 0.527 4.888 4.350 0.019 0.000 0.280 107 T C -0.661 174.008 174.700 -0.051 0.000 0.999 107 T CA -0.376 61.852 62.100 0.212 0.000 0.983 107 T CB 1.932 70.968 68.868 0.280 0.000 0.968 107 T HN 0.512 nan 8.240 nan 0.000 0.446 108 V N 5.437 125.256 119.914 -0.159 0.000 2.347 108 V HA 0.563 4.694 4.120 0.019 0.000 0.280 108 V C -1.278 174.695 176.094 -0.202 0.000 1.021 108 V CA -0.776 61.243 62.300 -0.468 0.000 0.847 108 V CB 0.709 32.039 31.823 -0.823 0.000 0.990 108 V HN 0.639 nan 8.190 nan 0.000 0.444 109 L N 6.751 127.863 121.223 -0.186 0.000 2.277 109 L HA 0.494 4.845 4.340 0.019 0.000 0.284 109 L C 0.149 176.975 176.870 -0.074 0.000 1.028 109 L CA 0.073 54.863 54.840 -0.083 0.000 0.835 109 L CB 1.164 43.190 42.059 -0.055 0.000 1.215 109 L HN 0.681 nan 8.230 nan 0.000 0.425 110 D N 2.886 123.259 120.400 -0.046 0.000 2.383 110 D HA 0.089 4.740 4.640 0.019 0.000 0.252 110 D C -0.310 175.980 176.300 -0.017 0.000 1.166 110 D CA -0.122 53.859 54.000 -0.031 0.000 0.879 110 D CB 1.388 42.178 40.800 -0.016 0.000 1.164 110 D HN 0.270 nan 8.370 nan 0.000 0.462 111 V N 2.526 122.433 119.914 -0.011 0.000 2.320 111 V HA 0.634 4.765 4.120 0.019 0.000 0.265 111 V C 0.767 176.835 176.094 -0.043 0.000 1.048 111 V CA -0.803 61.503 62.300 0.011 0.000 0.865 111 V CB 0.721 32.604 31.823 0.100 0.000 1.043 111 V HN 0.440 nan 8.190 nan 0.000 0.474 112 G N 2.955 111.741 108.800 -0.023 0.000 2.467 112 G HA2 0.397 4.368 3.960 0.019 0.000 0.257 112 G HA3 0.397 4.368 3.960 0.019 0.000 0.257 112 G C 0.107 174.994 174.900 -0.021 0.000 1.227 112 G CA -0.073 45.004 45.100 -0.038 0.000 0.835 112 G HN 0.955 nan 8.290 nan 0.000 0.556 113 D N 0.193 120.562 120.400 -0.050 0.000 2.737 113 D HA -0.274 4.377 4.640 0.019 0.000 0.233 113 D C 1.710 177.999 176.300 -0.019 0.000 1.155 113 D CA 0.931 54.946 54.000 0.024 0.000 0.667 113 D CB -1.040 39.915 40.800 0.259 0.000 1.060 113 D HN 0.639 nan 8.370 nan 0.000 0.427 114 A N -0.095 122.595 122.820 -0.217 0.000 1.859 114 A HA -0.259 4.073 4.320 0.019 0.000 0.218 114 A C 1.959 179.516 177.584 -0.045 0.000 1.209 114 A CA 1.821 53.714 52.037 -0.239 0.000 0.639 114 A CB -1.071 17.369 19.000 -0.933 0.000 0.835 114 A HN 0.588 nan 8.150 nan 0.000 0.450 115 Y N -1.879 118.172 120.300 -0.414 0.000 2.315 115 Y HA -0.227 4.334 4.550 0.019 0.000 0.288 115 Y C 2.286 178.205 175.900 0.032 0.000 1.154 115 Y CA 0.672 58.645 58.100 -0.212 0.000 1.229 115 Y CB -0.407 37.851 38.460 -0.337 0.000 0.980 115 Y HN 0.357 nan 8.280 nan 0.000 0.540 116 F N -0.714 119.331 119.950 0.159 0.000 2.407 116 F HA -0.155 4.383 4.527 0.019 0.000 0.299 116 F C 1.789 177.675 175.800 0.142 0.000 1.097 116 F CA 0.256 58.341 58.000 0.142 0.000 1.422 116 F CB 0.040 39.099 39.000 0.098 0.000 1.067 116 F HN -0.152 nan 8.300 nan 0.000 0.539 117 S N 0.090 115.991 115.700 0.335 0.000 2.622 117 S HA 0.201 4.682 4.470 0.019 0.000 0.236 117 S C -0.086 174.660 174.600 0.244 0.000 0.956 117 S CA -0.014 58.343 58.200 0.260 0.000 0.971 117 S CB 0.049 63.391 63.200 0.237 0.000 0.782 117 S HN -0.118 nan 8.310 nan 0.000 0.468 118 V N 2.967 123.029 119.914 0.246 0.000 2.482 118 V HA 0.357 4.488 4.120 0.019 0.000 0.295 118 V C -2.657 173.538 176.094 0.168 0.000 1.026 118 V CA -2.303 60.115 62.300 0.198 0.000 0.856 118 V CB 1.800 33.742 31.823 0.198 0.000 1.001 118 V HN 0.046 nan 8.190 nan 0.000 0.424 119 P HA 0.142 nan 4.420 nan 0.000 0.267 119 P C -0.891 176.474 177.300 0.108 0.000 1.201 119 P CA -0.092 63.082 63.100 0.123 0.000 0.775 119 P CB 0.542 32.307 31.700 0.109 0.000 0.854 120 L N 1.844 123.126 121.223 0.098 0.000 2.356 120 L HA 0.471 4.822 4.340 0.019 0.000 0.277 120 L C -0.517 176.409 176.870 0.094 0.000 0.996 120 L CA -0.913 53.973 54.840 0.077 0.000 0.822 120 L CB 1.246 43.318 42.059 0.021 0.000 1.256 120 L HN 0.165 nan 8.230 nan 0.000 0.413 121 D N 3.210 123.675 120.400 0.108 0.000 2.982 121 D HA -0.155 4.497 4.640 0.019 0.000 0.222 121 D C 1.136 177.519 176.300 0.138 0.000 1.124 121 D CA 0.844 54.919 54.000 0.125 0.000 0.810 121 D CB 0.751 41.636 40.800 0.141 0.000 1.152 121 D HN 0.731 nan 8.370 nan 0.000 0.538 122 E N 3.283 123.541 120.200 0.096 0.000 2.048 122 E HA -0.278 4.084 4.350 0.019 0.000 0.202 122 E C 0.927 177.563 176.600 0.059 0.000 1.021 122 E CA 1.715 58.155 56.400 0.066 0.000 0.825 122 E CB -0.016 29.712 29.700 0.047 0.000 0.756 122 E HN 0.667 nan 8.360 nan 0.000 0.454 123 D N -0.582 119.866 120.400 0.080 0.000 2.280 123 D HA -0.192 4.460 4.640 0.019 0.000 0.206 123 D C 1.727 178.079 176.300 0.087 0.000 0.988 123 D CA 0.768 54.809 54.000 0.069 0.000 0.886 123 D CB -0.390 40.479 40.800 0.114 0.000 0.914 123 D HN 0.218 nan 8.370 nan 0.000 0.473 124 F N 1.418 121.365 119.950 -0.004 0.000 2.317 124 F HA 0.079 4.618 4.527 0.019 0.000 0.293 124 F C 2.205 177.957 175.800 -0.080 0.000 1.085 124 F CA 0.307 58.331 58.000 0.039 0.000 1.390 124 F CB 0.040 39.080 39.000 0.067 0.000 1.077 124 F HN -0.275 nan 8.300 nan 0.000 0.517 125 R N 1.050 121.509 120.500 -0.067 0.000 2.159 125 R HA -0.290 4.062 4.340 0.019 0.000 0.252 125 R C 2.143 178.310 176.300 -0.221 0.000 1.144 125 R CA 2.455 58.487 56.100 -0.114 0.000 0.961 125 R CB -0.825 29.462 30.300 -0.021 0.000 0.877 125 R HN 0.391 nan 8.270 nan 0.000 0.444 126 K N -0.344 119.856 120.400 -0.333 0.000 2.360 126 K HA -0.180 4.151 4.320 0.019 0.000 0.201 126 K C 0.876 177.237 176.600 -0.398 0.000 1.046 126 K CA 1.577 57.665 56.287 -0.331 0.000 0.940 126 K CB -0.179 32.113 32.500 -0.346 0.000 0.748 126 K HN 0.284 nan 8.250 nan 0.000 0.465 127 Y N 2.054 122.061 120.300 -0.489 0.000 2.490 127 Y HA 0.030 4.591 4.550 0.019 0.000 0.281 127 Y C 1.861 177.567 175.900 -0.324 0.000 1.174 127 Y CA 0.761 58.483 58.100 -0.631 0.000 1.295 127 Y CB 0.124 37.973 38.460 -1.020 0.000 1.062 127 Y HN 0.279 nan 8.280 nan 0.000 0.522 128 T N -2.860 111.653 114.554 -0.068 0.000 3.145 128 T HA 0.497 4.858 4.350 0.019 0.000 0.255 128 T C 0.858 175.798 174.700 0.400 0.000 1.039 128 T CA -0.068 62.159 62.100 0.211 0.000 0.928 128 T CB -0.424 68.571 68.868 0.213 0.000 1.029 128 T HN 0.166 nan 8.240 nan 0.000 0.554 129 A N 1.969 124.912 122.820 0.205 0.000 2.546 129 A HA 0.528 4.859 4.320 0.019 0.000 0.243 129 A C -0.016 177.698 177.584 0.216 0.000 1.063 129 A CA -0.416 51.698 52.037 0.129 0.000 0.757 129 A CB -0.650 18.392 19.000 0.069 0.000 0.991 129 A HN 0.742 nan 8.150 nan 0.000 0.503 130 F N -0.053 119.935 119.950 0.064 0.000 2.664 130 F HA 0.887 5.426 4.527 0.019 0.000 0.329 130 F C -0.250 175.551 175.800 0.002 0.000 1.090 130 F CA -0.894 57.104 58.000 -0.003 0.000 0.978 130 F CB 1.478 40.459 39.000 -0.032 0.000 1.378 130 F HN 0.317 nan 8.300 nan 0.000 0.495 131 T N 2.971 117.636 114.554 0.186 0.000 2.928 131 T HA 0.491 4.852 4.350 0.019 0.000 0.296 131 T C -0.942 173.834 174.700 0.127 0.000 1.000 131 T CA -0.400 61.739 62.100 0.065 0.000 0.989 131 T CB 1.549 70.406 68.868 -0.018 0.000 1.005 131 T HN 0.487 nan 8.240 nan 0.000 0.442 132 I N 5.599 126.250 120.570 0.135 0.000 2.291 132 I HA 0.277 4.459 4.170 0.019 0.000 0.290 132 I C -1.958 174.188 176.117 0.047 0.000 1.050 132 I CA -3.096 58.274 61.300 0.117 0.000 1.245 132 I CB 0.655 38.754 38.000 0.165 0.000 1.405 132 I HN 0.336 nan 8.210 nan 0.000 0.478 133 P HA 0.092 nan 4.420 nan 0.000 0.271 133 P C -0.275 177.030 177.300 0.008 0.000 1.216 133 P CA -0.199 62.907 63.100 0.010 0.000 0.771 133 P CB 0.605 32.313 31.700 0.013 0.000 0.864 134 S N 3.086 118.785 115.700 -0.001 0.000 2.560 134 S HA 0.101 4.582 4.470 0.019 0.000 0.284 134 S C 1.777 176.376 174.600 -0.002 0.000 1.327 134 S CA -0.587 57.610 58.200 -0.004 0.000 1.055 134 S CB 0.161 63.355 63.200 -0.011 0.000 0.868 134 S HN 0.365 nan 8.310 nan 0.000 0.506 135 I N 1.114 121.681 120.570 -0.004 0.000 2.133 135 I HA -0.148 4.033 4.170 0.019 0.000 0.238 135 I C 1.330 177.446 176.117 -0.002 0.000 1.074 135 I CA 0.912 62.210 61.300 -0.004 0.000 1.342 135 I CB -0.379 37.616 38.000 -0.007 0.000 1.053 135 I HN 0.633 nan 8.210 nan 0.000 0.404 136 N N 1.690 120.388 118.700 -0.004 0.000 2.530 136 N HA -0.037 4.715 4.740 0.019 0.000 0.273 136 N C 0.286 175.793 175.510 -0.005 0.000 1.173 136 N CA 0.302 53.349 53.050 -0.004 0.000 0.967 136 N CB 0.124 38.607 38.487 -0.006 0.000 1.109 136 N HN 0.093 nan 8.380 nan 0.000 0.453 137 N N 1.687 120.385 118.700 -0.004 0.000 2.717 137 N HA -0.133 4.618 4.740 0.019 0.000 0.197 137 N C -0.540 174.965 175.510 -0.009 0.000 1.215 137 N CA 0.583 53.631 53.050 -0.004 0.000 0.949 137 N CB -0.032 38.453 38.487 -0.003 0.000 0.999 137 N HN 0.662 nan 8.380 nan 0.000 0.448 138 E N -1.168 119.026 120.200 -0.011 0.000 2.903 138 E HA -0.009 4.353 4.350 0.019 0.000 0.300 138 E C -0.476 176.114 176.600 -0.017 0.000 1.063 138 E CA -0.147 56.244 56.400 -0.015 0.000 1.040 138 E CB -0.013 29.678 29.700 -0.015 0.000 1.244 138 E HN 0.239 nan 8.360 nan 0.000 0.400 139 T N -2.800 111.743 114.554 -0.017 0.000 2.435 139 T HA 0.379 4.740 4.350 0.019 0.000 0.177 139 T C -1.216 173.470 174.700 -0.024 0.000 0.716 139 T CA -0.063 62.027 62.100 -0.018 0.000 1.523 139 T CB -0.679 68.182 68.868 -0.013 0.000 2.878 139 T HN -0.069 nan 8.240 nan 0.000 0.405 140 P HA 0.374 nan 4.420 nan 0.000 0.196 140 P C 0.801 178.076 177.300 -0.042 0.000 1.151 140 P CA 1.174 64.254 63.100 -0.034 0.000 0.857 140 P CB -0.606 31.080 31.700 -0.024 0.000 0.703 141 G N -0.369 108.410 108.800 -0.035 0.000 2.141 141 G HA2 -0.138 3.833 3.960 0.019 0.000 0.195 141 G HA3 -0.138 3.833 3.960 0.019 0.000 0.195 141 G C 0.210 175.068 174.900 -0.070 0.000 1.012 141 G CA -0.143 44.933 45.100 -0.041 0.000 0.696 141 G HN 0.476 nan 8.290 nan 0.000 0.508 142 I N -0.941 119.580 120.570 -0.081 0.000 2.815 142 I HA 0.395 4.576 4.170 0.019 0.000 0.291 142 I C 0.128 176.117 176.117 -0.213 0.000 1.209 142 I CA 0.284 61.476 61.300 -0.180 0.000 1.431 142 I CB 0.155 38.025 38.000 -0.217 0.000 1.351 142 I HN 0.137 nan 8.210 nan 0.000 0.585 143 R N 5.693 125.981 120.500 -0.354 0.000 2.437 143 R HA 0.559 4.910 4.340 0.019 0.000 0.310 143 R C -1.329 174.628 176.300 -0.571 0.000 0.955 143 R CA -0.651 55.233 56.100 -0.360 0.000 0.851 143 R CB 1.663 31.815 30.300 -0.247 0.000 1.161 143 R HN 0.665 nan 8.270 nan 0.000 0.446 144 Y N 0.641 120.492 120.300 -0.748 0.000 2.630 144 Y HA 0.352 4.914 4.550 0.019 0.000 0.337 144 Y C 0.400 175.897 175.900 -0.672 0.000 1.051 144 Y CA -0.724 56.903 58.100 -0.788 0.000 1.121 144 Y CB 2.086 39.884 38.460 -1.103 0.000 1.299 144 Y HN 0.450 nan 8.280 nan 0.000 0.498 145 Q N -0.185 119.518 119.800 -0.162 0.000 2.435 145 Q HA 0.431 4.782 4.340 0.019 0.000 0.282 145 Q C -2.215 173.815 176.000 0.050 0.000 1.020 145 Q CA -1.029 54.776 55.803 0.004 0.000 0.820 145 Q CB 1.731 30.459 28.738 -0.016 0.000 1.436 145 Q HN 0.660 nan 8.270 nan 0.000 0.395 146 Y N 1.499 121.891 120.300 0.153 0.000 2.336 146 Y HA 0.207 4.768 4.550 0.019 0.000 0.331 146 Y C 0.882 176.819 175.900 0.061 0.000 1.211 146 Y CA 0.359 58.537 58.100 0.130 0.000 1.346 146 Y CB 0.933 39.456 38.460 0.106 0.000 1.271 146 Y HN 0.721 nan 8.280 nan 0.000 0.538 147 N N 0.627 119.479 118.700 0.253 0.000 2.197 147 N HA 0.101 4.852 4.740 0.019 0.000 0.201 147 N C -0.518 175.099 175.510 0.179 0.000 1.148 147 N CA 0.421 53.566 53.050 0.159 0.000 0.883 147 N CB 0.852 39.403 38.487 0.106 0.000 1.012 147 N HN 0.380 nan 8.380 nan 0.000 0.507 148 V N -2.422 117.649 119.914 0.262 0.000 3.119 148 V HA 0.551 4.682 4.120 0.019 0.000 0.311 148 V C 0.010 176.203 176.094 0.164 0.000 1.259 148 V CA -1.174 61.266 62.300 0.234 0.000 1.067 148 V CB 1.269 33.276 31.823 0.306 0.000 1.123 148 V HN -0.182 nan 8.190 nan 0.000 0.463 149 L N 2.117 123.425 121.223 0.143 0.000 2.418 149 L HA 0.384 4.735 4.340 0.019 0.000 0.274 149 L C -2.338 174.522 176.870 -0.016 0.000 1.135 149 L CA -1.102 53.759 54.840 0.034 0.000 0.870 149 L CB 0.424 42.486 42.059 0.004 0.000 1.154 149 L HN 0.476 nan 8.230 nan 0.000 0.462 150 P HA 0.159 nan 4.420 nan 0.000 0.285 150 P C -0.829 176.449 177.300 -0.037 0.000 1.259 150 P CA -0.710 62.140 63.100 -0.417 0.000 0.794 150 P CB 0.904 32.028 31.700 -0.960 0.000 0.940 151 Q N 2.028 121.867 119.800 0.066 0.000 2.311 151 Q HA 0.371 4.722 4.340 0.019 0.000 0.272 151 Q C 1.282 177.413 176.000 0.218 0.000 1.012 151 Q CA 1.757 57.650 55.803 0.149 0.000 0.891 151 Q CB -0.503 28.234 28.738 -0.001 0.000 1.201 151 Q HN 0.782 nan 8.270 nan 0.000 0.391 152 G N 2.744 111.673 108.800 0.215 0.000 2.217 152 G HA2 -0.286 3.685 3.960 0.019 0.000 0.246 152 G HA3 -0.286 3.685 3.960 0.019 0.000 0.246 152 G C -0.510 174.534 174.900 0.240 0.000 0.990 152 G CA -0.027 45.217 45.100 0.240 0.000 0.627 152 G HN 0.686 nan 8.290 nan 0.000 0.522 153 W N 2.413 123.649 121.300 -0.107 0.000 2.272 153 W HA 0.631 5.303 4.660 0.019 0.000 0.318 153 W C 1.352 177.766 176.519 -0.174 0.000 1.255 153 W CA -0.301 56.893 57.345 -0.251 0.000 1.200 153 W CB 0.836 29.992 29.460 -0.507 0.000 1.170 153 W HN 0.105 nan 8.180 nan 0.000 0.549 154 K N 2.691 122.657 120.400 -0.724 0.000 2.052 154 K HA -0.214 4.117 4.320 0.019 0.000 0.215 154 K C 1.649 177.641 176.600 -1.014 0.000 1.053 154 K CA 2.147 58.013 56.287 -0.701 0.000 0.934 154 K CB -0.730 31.494 32.500 -0.459 0.000 0.717 154 K HN 0.745 nan 8.250 nan 0.000 0.450 155 G N -0.861 106.727 108.800 -2.020 0.000 3.181 155 G HA2 -0.011 3.961 3.960 0.019 0.000 0.219 155 G HA3 -0.011 3.961 3.960 0.019 0.000 0.219 155 G C 0.979 175.120 174.900 -1.266 0.000 1.182 155 G CA 0.008 43.805 45.100 -2.172 0.000 0.791 155 G HN 0.211 nan 8.290 nan 0.000 0.537 156 S N 1.454 116.645 115.700 -0.848 0.000 2.371 156 S HA -0.025 4.457 4.470 0.019 0.000 0.224 156 S C -0.104 173.981 174.600 -0.860 0.000 1.029 156 S CA 0.861 58.589 58.200 -0.786 0.000 0.978 156 S CB -0.437 62.200 63.200 -0.939 0.000 0.833 156 S HN 0.271 nan 8.310 nan 0.000 0.466 157 P HA -0.018 nan 4.420 nan 0.000 0.214 157 P C 1.528 178.722 177.300 -0.177 0.000 1.162 157 P CA 1.425 64.396 63.100 -0.214 0.000 0.879 157 P CB -0.110 31.510 31.700 -0.135 0.000 0.786 158 A N -0.744 121.882 122.820 -0.323 0.000 1.877 158 A HA -0.184 4.148 4.320 0.019 0.000 0.216 158 A C 2.226 179.663 177.584 -0.244 0.000 1.186 158 A CA 1.610 53.484 52.037 -0.272 0.000 0.620 158 A CB -1.696 17.085 19.000 -0.364 0.000 0.822 158 A HN 0.108 nan 8.150 nan 0.000 0.443 159 I N -1.925 118.437 120.570 -0.346 0.000 2.353 159 I HA -0.175 4.006 4.170 0.019 0.000 0.248 159 I C 2.311 178.361 176.117 -0.111 0.000 1.119 159 I CA 1.266 62.438 61.300 -0.214 0.000 1.417 159 I CB -0.257 37.619 38.000 -0.206 0.000 1.078 159 I HN 0.506 nan 8.210 nan 0.000 0.421 160 F N 1.554 121.364 119.950 -0.233 0.000 2.075 160 F HA -0.316 4.222 4.527 0.019 0.000 0.297 160 F C 2.737 178.487 175.800 -0.083 0.000 1.113 160 F CA 2.033 59.964 58.000 -0.116 0.000 1.218 160 F CB -0.283 38.699 39.000 -0.031 0.000 0.984 160 F HN -0.016 nan 8.300 nan 0.000 0.472 161 Q N -0.053 119.573 119.800 -0.290 0.000 2.096 161 Q HA -0.259 4.093 4.340 0.019 0.000 0.204 161 Q C 2.356 178.173 176.000 -0.306 0.000 0.982 161 Q CA 2.223 57.812 55.803 -0.355 0.000 0.850 161 Q CB -0.465 28.198 28.738 -0.126 0.000 0.901 161 Q HN 0.464 nan 8.270 nan 0.000 0.422 162 S N -0.931 114.647 115.700 -0.203 0.000 2.402 162 S HA -0.105 4.377 4.470 0.019 0.000 0.229 162 S C 1.890 176.375 174.600 -0.192 0.000 1.021 162 S CA 1.437 59.548 58.200 -0.148 0.000 0.974 162 S CB -0.193 62.955 63.200 -0.086 0.000 0.800 162 S HN 0.483 nan 8.310 nan 0.000 0.484 163 S N 1.191 116.741 115.700 -0.249 0.000 2.362 163 S HA 0.009 4.491 4.470 0.019 0.000 0.221 163 S C 1.788 176.172 174.600 -0.361 0.000 1.032 163 S CA 1.376 59.422 58.200 -0.258 0.000 0.973 163 S CB -0.459 62.618 63.200 -0.204 0.000 0.849 163 S HN 0.577 nan 8.310 nan 0.000 0.465 164 M N 2.202 121.501 119.600 -0.502 0.000 2.106 164 M HA -0.129 4.362 4.480 0.019 0.000 0.259 164 M C 1.912 178.017 176.300 -0.324 0.000 1.068 164 M CA 1.702 56.710 55.300 -0.487 0.000 1.100 164 M CB -1.370 30.821 32.600 -0.681 0.000 1.351 164 M HN 0.201 nan 8.290 nan 0.000 0.404 165 T N 0.541 114.934 114.554 -0.267 0.000 2.684 165 T HA -0.172 4.189 4.350 0.019 0.000 0.267 165 T C 1.791 176.401 174.700 -0.150 0.000 1.036 165 T CA 1.901 63.898 62.100 -0.171 0.000 1.148 165 T CB -0.207 68.585 68.868 -0.125 0.000 0.863 165 T HN 0.470 nan 8.240 nan 0.000 0.436 166 K N 0.553 120.848 120.400 -0.176 0.000 2.057 166 K HA 0.077 4.408 4.320 0.019 0.000 0.207 166 K C 2.167 178.640 176.600 -0.212 0.000 1.049 166 K CA 1.088 57.281 56.287 -0.158 0.000 0.931 166 K CB -0.294 32.109 32.500 -0.161 0.000 0.714 166 K HN 0.310 nan 8.250 nan 0.000 0.440 167 I N 0.803 121.142 120.570 -0.385 0.000 2.756 167 I HA -0.220 3.962 4.170 0.019 0.000 0.262 167 I C 1.531 177.533 176.117 -0.191 0.000 1.225 167 I CA 0.596 61.544 61.300 -0.587 0.000 1.472 167 I CB 0.088 37.577 38.000 -0.852 0.000 1.094 167 I HN 0.098 nan 8.210 nan 0.000 0.454 168 L N -0.264 120.887 121.223 -0.119 0.000 2.357 168 L HA 0.031 4.382 4.340 0.019 0.000 0.211 168 L C 2.201 179.101 176.870 0.051 0.000 1.075 168 L CA 1.141 55.970 54.840 -0.019 0.000 0.830 168 L CB -0.650 41.368 42.059 -0.068 0.000 0.996 168 L HN 0.127 nan 8.230 nan 0.000 0.467 169 E N 0.680 120.889 120.200 0.015 0.000 2.055 169 E HA -0.262 4.100 4.350 0.019 0.000 0.209 169 E C -0.694 175.944 176.600 0.064 0.000 1.036 169 E CA 2.489 58.908 56.400 0.031 0.000 0.849 169 E CB -0.751 28.956 29.700 0.012 0.000 0.767 169 E HN 0.276 nan 8.360 nan 0.000 0.461 170 P HA -0.214 nan 4.420 nan 0.000 0.213 170 P C 1.550 178.879 177.300 0.048 0.000 1.170 170 P CA 1.442 64.606 63.100 0.107 0.000 0.902 170 P CB -0.495 31.332 31.700 0.212 0.000 0.789 171 F N 1.088 120.949 119.950 -0.150 0.000 2.176 171 F HA -0.221 4.317 4.527 0.019 0.000 0.301 171 F C 2.502 178.219 175.800 -0.138 0.000 1.071 171 F CA 1.677 59.509 58.000 -0.280 0.000 1.289 171 F CB -0.379 38.336 39.000 -0.476 0.000 1.028 171 F HN -0.228 nan 8.300 nan 0.000 0.494 172 R N -0.435 120.109 120.500 0.074 0.000 2.115 172 R HA -0.106 4.246 4.340 0.019 0.000 0.226 172 R C 2.040 178.307 176.300 -0.056 0.000 1.100 172 R CA 1.154 57.268 56.100 0.024 0.000 0.980 172 R CB -0.170 30.163 30.300 0.056 0.000 0.875 172 R HN 0.129 nan 8.270 nan 0.000 0.445 173 K N 0.632 121.001 120.400 -0.052 0.000 2.103 173 K HA -0.060 4.271 4.320 0.019 0.000 0.204 173 K C 2.034 178.575 176.600 -0.099 0.000 1.052 173 K CA 1.220 57.475 56.287 -0.053 0.000 0.945 173 K CB 0.062 32.549 32.500 -0.022 0.000 0.722 173 K HN 0.148 nan 8.250 nan 0.000 0.443 174 Q N 0.089 119.793 119.800 -0.160 0.000 2.119 174 Q HA -0.004 4.347 4.340 0.019 0.000 0.201 174 Q C 0.009 175.850 176.000 -0.264 0.000 0.972 174 Q CA 0.846 56.525 55.803 -0.208 0.000 0.847 174 Q CB 0.121 28.699 28.738 -0.267 0.000 0.903 174 Q HN 0.203 nan 8.270 nan 0.000 0.433 175 N N 0.847 119.330 118.700 -0.362 0.000 2.990 175 N HA 0.129 4.880 4.740 0.019 0.000 0.288 175 N C -2.208 173.208 175.510 -0.158 0.000 1.624 175 N CA -0.900 51.963 53.050 -0.311 0.000 0.961 175 N CB 1.121 39.293 38.487 -0.525 0.000 1.259 175 N HN 0.161 nan 8.380 nan 0.000 0.489 176 P HA -0.086 nan 4.420 nan 0.000 0.236 176 P C 0.183 177.466 177.300 -0.029 0.000 1.172 176 P CA 1.003 64.073 63.100 -0.050 0.000 0.759 176 P CB 0.247 31.922 31.700 -0.042 0.000 0.843 177 D N -0.756 119.623 120.400 -0.035 0.000 2.388 177 D HA 0.076 4.728 4.640 0.019 0.000 0.221 177 D C 0.157 176.462 176.300 0.008 0.000 1.133 177 D CA -0.282 53.711 54.000 -0.011 0.000 0.831 177 D CB 0.176 40.968 40.800 -0.014 0.000 0.962 177 D HN 0.092 nan 8.370 nan 0.000 0.502 178 I N 1.480 122.057 120.570 0.012 0.000 2.447 178 I HA 0.239 4.420 4.170 0.019 0.000 0.287 178 I C -0.156 175.997 176.117 0.060 0.000 1.023 178 I CA -1.376 59.953 61.300 0.049 0.000 1.083 178 I CB 1.739 39.788 38.000 0.081 0.000 1.245 178 I HN -0.261 nan 8.210 nan 0.000 0.434 179 V N 7.275 127.225 119.914 0.060 0.000 2.432 179 V HA 0.461 4.592 4.120 0.019 0.000 0.275 179 V C 0.297 176.435 176.094 0.074 0.000 1.043 179 V CA -0.338 61.993 62.300 0.052 0.000 0.925 179 V CB 1.701 33.536 31.823 0.020 0.000 0.985 179 V HN 0.424 nan 8.190 nan 0.000 0.466 180 I N 5.423 126.043 120.570 0.082 0.000 2.447 180 I HA 0.384 4.565 4.170 0.019 0.000 0.287 180 I C -1.293 174.901 176.117 0.128 0.000 1.023 180 I CA -0.696 60.660 61.300 0.093 0.000 1.083 180 I CB 1.856 39.895 38.000 0.065 0.000 1.245 180 I HN 0.630 nan 8.210 nan 0.000 0.434 181 Y N 6.534 126.841 120.300 0.012 0.000 2.328 181 Y HA 0.361 4.922 4.550 0.020 0.000 0.336 181 Y C -0.316 175.640 175.900 0.093 0.000 0.960 181 Y CA -0.406 57.700 58.100 0.010 0.000 1.134 181 Y CB 1.327 39.727 38.460 -0.099 0.000 1.166 181 Y HN 0.543 nan 8.280 nan 0.000 0.464 182 Q N 5.924 125.451 119.800 -0.455 0.000 2.243 182 Q HA 0.256 4.607 4.340 0.019 0.000 0.252 182 Q C -2.088 173.595 176.000 -0.528 0.000 0.909 182 Q CA -0.831 54.771 55.803 -0.335 0.000 0.922 182 Q CB 1.260 29.869 28.738 -0.215 0.000 1.215 182 Q HN 0.880 nan 8.270 nan 0.000 0.427 183 Y N 6.008 126.152 120.300 -0.260 0.000 2.325 183 Y HA 0.175 4.737 4.550 0.019 0.000 0.336 183 Y C 0.137 176.102 175.900 0.110 0.000 1.130 183 Y CA -0.365 57.696 58.100 -0.065 0.000 1.264 183 Y CB 0.427 39.022 38.460 0.226 0.000 1.128 183 Y HN 1.028 nan 8.280 nan 0.000 0.469 184 M N 1.384 120.768 119.600 -0.359 0.000 7.319 184 M HA -0.440 4.052 4.480 0.019 0.000 0.288 184 M C 0.454 176.736 176.300 -0.029 0.000 0.480 184 M CA 2.599 57.743 55.300 -0.260 0.000 1.311 184 M CB -1.130 31.150 32.600 -0.533 0.000 0.421 184 M HN 0.690 nan 8.290 nan 0.000 0.490 185 D N 0.106 120.457 120.400 -0.081 0.000 2.360 185 D HA 0.135 4.787 4.640 0.019 0.000 0.210 185 D C -0.724 175.599 176.300 0.038 0.000 1.047 185 D CA 0.449 54.415 54.000 -0.055 0.000 0.854 185 D CB 0.225 40.948 40.800 -0.128 0.000 0.936 185 D HN 0.287 nan 8.370 nan 0.000 0.514 186 D N -0.150 120.327 120.400 0.129 0.000 2.181 186 D HA 0.350 5.001 4.640 0.019 0.000 0.248 186 D C -0.815 175.544 176.300 0.098 0.000 1.020 186 D CA -0.489 53.568 54.000 0.096 0.000 0.891 186 D CB 1.821 42.724 40.800 0.173 0.000 1.187 186 D HN -0.109 nan 8.370 nan 0.000 0.443 187 L N 2.882 124.079 121.223 -0.045 0.000 2.366 187 L HA 0.285 4.637 4.340 0.019 0.000 0.266 187 L C -1.498 175.327 176.870 -0.074 0.000 1.010 187 L CA -0.638 54.198 54.840 -0.007 0.000 0.879 187 L CB 0.204 42.244 42.059 -0.032 0.000 1.228 187 L HN 0.302 nan 8.230 nan 0.000 0.439 188 Y N 3.358 123.645 120.300 -0.023 0.000 2.486 188 Y HA 0.422 4.983 4.550 0.019 0.000 0.348 188 Y C 0.236 176.107 175.900 -0.048 0.000 1.000 188 Y CA -0.309 57.727 58.100 -0.105 0.000 1.253 188 Y CB 0.859 39.218 38.460 -0.168 0.000 1.140 188 Y HN 0.182 nan 8.280 nan 0.000 0.526 189 V N 3.596 123.552 119.914 0.070 0.000 2.417 189 V HA 0.824 4.956 4.120 0.019 0.000 0.291 189 V C 0.345 176.538 176.094 0.165 0.000 1.024 189 V CA -0.708 61.647 62.300 0.092 0.000 0.861 189 V CB 1.354 33.204 31.823 0.045 0.000 0.985 189 V HN 0.889 nan 8.190 nan 0.000 0.436 190 G N 2.681 111.572 108.800 0.152 0.000 2.563 190 G HA2 0.833 4.804 3.960 0.019 0.000 0.302 190 G HA3 0.833 4.804 3.960 0.019 0.000 0.302 190 G C -0.766 174.241 174.900 0.180 0.000 1.301 190 G CA -0.053 45.163 45.100 0.193 0.000 0.965 190 G HN 1.062 nan 8.290 nan 0.000 0.480 191 S N -0.839 114.996 115.700 0.225 0.000 2.661 191 S HA 0.507 4.988 4.470 0.019 0.000 0.268 191 S C -1.127 173.557 174.600 0.140 0.000 1.162 191 S CA -0.678 57.626 58.200 0.172 0.000 0.817 191 S CB 1.983 65.299 63.200 0.194 0.000 1.141 191 S HN 0.315 nan 8.310 nan 0.000 0.477 192 D N 0.555 121.015 120.400 0.099 0.000 2.440 192 D HA 0.332 4.983 4.640 0.019 0.000 0.216 192 D C 0.383 176.729 176.300 0.077 0.000 1.150 192 D CA -0.034 54.009 54.000 0.071 0.000 0.832 192 D CB 0.125 40.951 40.800 0.043 0.000 0.992 192 D HN 0.422 nan 8.370 nan 0.000 0.502 193 L N 1.470 122.761 121.223 0.113 0.000 2.479 193 L HA 0.020 4.371 4.340 0.019 0.000 0.270 193 L C 1.025 177.954 176.870 0.099 0.000 1.236 193 L CA -0.168 54.733 54.840 0.101 0.000 0.823 193 L CB 0.174 42.305 42.059 0.120 0.000 1.098 193 L HN -0.002 nan 8.230 nan 0.000 0.500 194 E N 0.432 120.678 120.200 0.076 0.000 2.366 194 E HA 0.127 4.488 4.350 0.019 0.000 0.266 194 E C 0.848 177.498 176.600 0.084 0.000 1.051 194 E CA -0.385 56.052 56.400 0.062 0.000 0.884 194 E CB 0.667 30.393 29.700 0.044 0.000 1.006 194 E HN 0.437 nan 8.360 nan 0.000 0.417 195 I N 2.091 122.697 120.570 0.060 0.000 2.188 195 I HA -0.413 3.769 4.170 0.019 0.000 0.246 195 I C 2.051 178.228 176.117 0.100 0.000 1.033 195 I CA 2.245 63.582 61.300 0.062 0.000 1.307 195 I CB -0.689 37.332 38.000 0.035 0.000 1.005 195 I HN 0.892 nan 8.210 nan 0.000 0.421 196 G N -0.746 108.102 108.800 0.079 0.000 2.414 196 G HA2 -0.304 3.667 3.960 0.019 0.000 0.215 196 G HA3 -0.304 3.667 3.960 0.019 0.000 0.215 196 G C 1.467 176.420 174.900 0.089 0.000 1.188 196 G CA 0.829 45.974 45.100 0.077 0.000 0.783 196 G HN 0.317 nan 8.290 nan 0.000 0.537 197 Q N 0.122 119.973 119.800 0.085 0.000 2.084 197 Q HA -0.131 4.221 4.340 0.019 0.000 0.202 197 Q C 2.110 178.166 176.000 0.092 0.000 0.978 197 Q CA 2.142 57.988 55.803 0.073 0.000 0.844 197 Q CB -0.711 28.062 28.738 0.057 0.000 0.898 197 Q HN 0.742 nan 8.270 nan 0.000 0.426 198 H N -0.379 118.720 119.070 0.049 0.000 2.290 198 H HA -0.101 4.466 4.556 0.019 0.000 0.298 198 H C 2.022 177.392 175.328 0.069 0.000 1.087 198 H CA 2.205 58.290 56.048 0.061 0.000 1.291 198 H CB -0.026 29.772 29.762 0.061 0.000 1.369 198 H HN 0.233 nan 8.280 nan 0.000 0.492 199 R N -0.085 120.557 120.500 0.235 0.000 2.159 199 R HA -0.118 4.233 4.340 0.019 0.000 0.237 199 R C 1.944 178.295 176.300 0.085 0.000 1.131 199 R CA 1.841 58.042 56.100 0.170 0.000 0.982 199 R CB -0.192 30.194 30.300 0.142 0.000 0.868 199 R HN 0.624 nan 8.270 nan 0.000 0.453 200 T N -1.436 113.157 114.554 0.065 0.000 2.937 200 T HA 0.044 4.405 4.350 0.019 0.000 0.260 200 T C 1.623 176.353 174.700 0.051 0.000 1.051 200 T CA 0.414 62.546 62.100 0.054 0.000 1.141 200 T CB -0.008 68.890 68.868 0.050 0.000 0.879 200 T HN 0.098 nan 8.240 nan 0.000 0.459 201 K N 1.063 121.477 120.400 0.023 0.000 2.057 201 K HA 0.064 4.395 4.320 0.019 0.000 0.207 201 K C 2.234 178.870 176.600 0.059 0.000 1.049 201 K CA 0.752 57.077 56.287 0.063 0.000 0.931 201 K CB -0.494 32.007 32.500 0.001 0.000 0.714 201 K HN 0.317 nan 8.250 nan 0.000 0.440 202 I N 1.869 122.408 120.570 -0.052 0.000 2.423 202 I HA -0.201 3.980 4.170 0.019 0.000 0.254 202 I C 2.072 178.198 176.117 0.015 0.000 1.151 202 I CA 1.348 62.628 61.300 -0.035 0.000 1.421 202 I CB -0.788 37.217 38.000 0.008 0.000 1.079 202 I HN 0.149 nan 8.210 nan 0.000 0.431 203 E N 0.569 120.795 120.200 0.045 0.000 2.086 203 E HA -0.099 4.262 4.350 0.019 0.000 0.190 203 E C 2.055 178.697 176.600 0.070 0.000 0.975 203 E CA 0.568 57.002 56.400 0.056 0.000 0.813 203 E CB 0.022 29.760 29.700 0.063 0.000 0.768 203 E HN 0.523 nan 8.360 nan 0.000 0.457 204 E N 0.871 121.134 120.200 0.105 0.000 2.012 204 E HA -0.208 4.154 4.350 0.019 0.000 0.197 204 E C 2.242 178.925 176.600 0.138 0.000 1.007 204 E CA 1.003 57.504 56.400 0.168 0.000 0.816 204 E CB -0.390 29.466 29.700 0.260 0.000 0.762 204 E HN 0.058 nan 8.360 nan 0.000 0.451 205 L N 1.678 122.909 121.223 0.015 0.000 2.010 205 L HA -0.290 4.061 4.340 0.019 0.000 0.219 205 L C 2.435 179.218 176.870 -0.145 0.000 1.077 205 L CA 1.951 56.525 54.840 -0.443 0.000 0.773 205 L CB -0.336 41.332 42.059 -0.651 0.000 0.892 205 L HN -0.007 nan 8.230 nan 0.000 0.436 206 R N -1.376 119.091 120.500 -0.054 0.000 2.117 206 R HA -0.245 4.106 4.340 0.019 0.000 0.243 206 R C 2.367 178.695 176.300 0.048 0.000 1.143 206 R CA 1.805 57.905 56.100 0.001 0.000 0.968 206 R CB -0.243 30.069 30.300 0.020 0.000 0.863 206 R HN 0.459 nan 8.270 nan 0.000 0.444 207 Q N -1.013 118.833 119.800 0.076 0.000 2.187 207 Q HA -0.131 4.220 4.340 0.019 0.000 0.199 207 Q C 1.552 177.639 176.000 0.145 0.000 0.957 207 Q CA 1.614 57.476 55.803 0.099 0.000 0.857 207 Q CB -0.117 28.683 28.738 0.102 0.000 0.929 207 Q HN 0.438 nan 8.270 nan 0.000 0.453 208 H N -0.604 118.510 119.070 0.074 0.000 2.353 208 H HA -0.026 4.541 4.556 0.019 0.000 0.300 208 H C 1.580 177.068 175.328 0.267 0.000 1.090 208 H CA 1.909 58.053 56.048 0.160 0.000 1.327 208 H CB 0.001 29.820 29.762 0.094 0.000 1.383 208 H HN 0.230 nan 8.280 nan 0.000 0.508 209 L N -0.463 120.891 121.223 0.218 0.000 2.056 209 L HA -0.155 4.196 4.340 0.019 0.000 0.207 209 L C 2.554 179.550 176.870 0.210 0.000 1.078 209 L CA 0.904 55.853 54.840 0.182 0.000 0.749 209 L CB -0.522 41.583 42.059 0.077 0.000 0.901 209 L HN 0.290 nan 8.230 nan 0.000 0.433 210 L N 0.558 121.862 121.223 0.135 0.000 2.042 210 L HA -0.213 4.139 4.340 0.019 0.000 0.210 210 L C 2.765 179.679 176.870 0.073 0.000 1.076 210 L CA 1.373 56.272 54.840 0.097 0.000 0.749 210 L CB -0.333 41.764 42.059 0.063 0.000 0.893 210 L HN 0.404 nan 8.230 nan 0.000 0.432 211 R N -1.734 118.781 120.500 0.025 0.000 2.346 211 R HA -0.158 4.193 4.340 0.019 0.000 0.199 211 R C 0.633 176.776 176.300 -0.263 0.000 1.015 211 R CA 0.723 56.741 56.100 -0.137 0.000 1.058 211 R CB -0.351 29.808 30.300 -0.234 0.000 0.921 211 R HN 0.383 nan 8.270 nan 0.000 0.475 212 W N -0.864 120.407 121.300 -0.047 0.000 2.518 212 W HA 0.386 5.057 4.660 0.019 0.000 0.352 212 W C 1.006 177.534 176.519 0.015 0.000 0.952 212 W CA 0.153 57.481 57.345 -0.028 0.000 1.624 212 W CB 1.403 30.837 29.460 -0.043 0.000 1.135 212 W HN 0.312 nan 8.180 nan 0.000 0.540 213 G N 0.708 109.620 108.800 0.187 0.000 2.268 213 G HA2 -0.308 3.664 3.960 0.019 0.000 0.240 213 G HA3 -0.308 3.664 3.960 0.019 0.000 0.240 213 G C 0.239 175.228 174.900 0.147 0.000 1.010 213 G CA -0.062 45.125 45.100 0.145 0.000 0.618 213 G HN 0.076 nan 8.290 nan 0.000 0.516 214 L N 3.162 124.491 121.223 0.178 0.000 2.530 214 L HA 0.379 4.731 4.340 0.019 0.000 0.273 214 L C 1.228 178.161 176.870 0.104 0.000 1.141 214 L CA 0.533 55.461 54.840 0.147 0.000 0.905 214 L CB 0.094 42.244 42.059 0.152 0.000 1.202 214 L HN 0.427 nan 8.230 nan 0.000 0.473 215 T N -0.219 114.384 114.554 0.081 0.000 2.928 215 T HA 0.711 5.072 4.350 0.019 0.000 0.284 215 T C 0.174 174.895 174.700 0.035 0.000 1.008 215 T CA -0.713 61.419 62.100 0.053 0.000 1.057 215 T CB 1.942 70.835 68.868 0.042 0.000 1.018 215 T HN 0.621 nan 8.240 nan 0.000 0.493 216 T N -1.044 113.523 114.554 0.022 0.000 2.838 216 T HA 0.732 5.093 4.350 0.019 0.000 0.292 216 T C -3.043 171.656 174.700 -0.001 0.000 1.113 216 T CA -1.642 60.465 62.100 0.011 0.000 1.008 216 T CB 1.158 70.034 68.868 0.014 0.000 1.259 216 T HN 0.630 nan 8.240 nan 0.000 0.520 217 P HA 0.450 nan 4.420 nan 0.000 0.282 217 P C -0.975 176.369 177.300 0.074 0.000 1.249 217 P CA -0.330 62.774 63.100 0.007 0.000 0.806 217 P CB 0.595 32.320 31.700 0.041 0.000 0.984 218 D N 1.495 121.977 120.400 0.137 0.000 2.363 218 D HA 0.004 4.656 4.640 0.019 0.000 0.240 218 D C 1.410 177.846 176.300 0.227 0.000 1.236 218 D CA -0.139 54.000 54.000 0.233 0.000 0.927 218 D CB 0.597 41.613 40.800 0.361 0.000 1.150 218 D HN 0.239 nan 8.370 nan 0.000 0.458 219 K N 0.908 121.395 120.400 0.145 0.000 2.280 219 K HA -0.160 4.171 4.320 0.019 0.000 0.202 219 K C 1.552 178.188 176.600 0.060 0.000 1.047 219 K CA 1.092 57.440 56.287 0.102 0.000 0.942 219 K CB 0.029 32.578 32.500 0.083 0.000 0.739 219 K HN 0.357 nan 8.250 nan 0.000 0.457 220 K N -0.262 120.147 120.400 0.015 0.000 2.103 220 K HA -0.123 4.208 4.320 0.019 0.000 0.204 220 K C 1.149 177.601 176.600 -0.248 0.000 1.052 220 K CA 1.255 57.432 56.287 -0.183 0.000 0.945 220 K CB -0.007 32.264 32.500 -0.383 0.000 0.722 220 K HN 0.232 nan 8.250 nan 0.000 0.443 221 H N 0.460 119.551 119.070 0.035 0.000 2.539 221 H HA 0.084 4.651 4.556 0.019 0.000 0.269 221 H C -0.129 175.223 175.328 0.041 0.000 0.980 221 H CA -0.100 55.968 56.048 0.034 0.000 1.152 221 H CB 0.036 29.816 29.762 0.029 0.000 1.407 221 H HN 0.305 nan 8.280 nan 0.000 0.564 222 Q N 1.328 121.217 119.800 0.148 0.000 2.261 222 Q HA 0.227 4.578 4.340 0.019 0.000 0.252 222 Q C -0.506 175.566 176.000 0.121 0.000 0.915 222 Q CA -0.739 55.138 55.803 0.122 0.000 0.915 222 Q CB 1.568 30.374 28.738 0.113 0.000 1.204 222 Q HN 0.139 nan 8.270 nan 0.000 0.421 223 K N 2.117 122.603 120.400 0.142 0.000 2.524 223 K HA -0.015 4.316 4.320 0.019 0.000 0.279 223 K C -0.233 176.491 176.600 0.208 0.000 0.993 223 K CA 0.506 56.900 56.287 0.177 0.000 1.030 223 K CB 0.400 33.050 32.500 0.250 0.000 0.891 223 K HN 0.532 nan 8.250 nan 0.000 0.488 224 E N 4.137 124.352 120.200 0.025 0.000 2.183 224 E HA 0.270 4.631 4.350 0.019 0.000 0.271 224 E C -2.187 174.111 176.600 -0.504 0.000 0.919 224 E CA -2.158 54.158 56.400 -0.140 0.000 0.781 224 E CB 1.326 30.982 29.700 -0.074 0.000 1.140 224 E HN 0.440 nan 8.360 nan 0.000 0.402 225 P HA 0.126 nan 4.420 nan 0.000 0.270 225 P C -2.439 174.606 177.300 -0.425 0.000 1.227 225 P CA -1.018 61.416 63.100 -1.109 0.000 0.788 225 P CB -0.692 30.490 31.700 -0.864 0.000 0.926 226 P HA 0.100 nan 4.420 nan 0.000 0.264 226 P C -0.697 176.409 177.300 -0.323 0.000 1.193 226 P CA 0.563 63.394 63.100 -0.448 0.000 0.763 226 P CB -0.151 31.294 31.700 -0.425 0.000 0.810 227 F N 2.689 122.663 119.950 0.040 0.000 2.421 227 F HA 0.237 4.775 4.527 0.019 0.000 0.358 227 F C 0.776 176.704 175.800 0.213 0.000 1.115 227 F CA -0.352 57.744 58.000 0.159 0.000 1.160 227 F CB 0.225 39.375 39.000 0.250 0.000 1.123 227 F HN 0.076 nan 8.300 nan 0.000 0.508 228 L N 4.047 125.504 121.223 0.390 0.000 2.342 228 L HA 0.161 4.513 4.340 0.019 0.000 0.285 228 L C -0.953 176.186 176.870 0.447 0.000 1.095 228 L CA -0.136 54.906 54.840 0.337 0.000 0.843 228 L CB 0.300 42.491 42.059 0.219 0.000 1.201 228 L HN 0.714 nan 8.230 nan 0.000 0.445 229 W N 6.561 127.987 121.300 0.211 0.000 2.900 229 W HA 0.372 5.043 4.660 0.018 0.000 0.336 229 W C -0.117 176.496 176.519 0.156 0.000 1.064 229 W CA -0.831 56.601 57.345 0.145 0.000 1.237 229 W CB 1.200 30.691 29.460 0.052 0.000 1.391 229 W HN 0.315 nan 8.180 nan 0.000 0.468 230 M N 5.557 124.843 119.600 -0.523 0.000 2.210 230 M HA -0.213 4.278 4.480 0.019 0.000 0.198 230 M C 1.044 177.132 176.300 -0.353 0.000 0.319 230 M CA 1.948 56.875 55.300 -0.621 0.000 0.399 230 M CB -2.362 29.484 32.600 -1.256 0.000 1.227 230 M HN 1.481 nan 8.290 nan 0.000 0.931 231 G N -1.719 106.937 108.800 -0.240 0.000 2.141 231 G HA2 -0.284 3.688 3.960 0.019 0.000 0.242 231 G HA3 -0.284 3.688 3.960 0.019 0.000 0.242 231 G C -0.287 174.529 174.900 -0.140 0.000 0.982 231 G CA 0.393 45.316 45.100 -0.295 0.000 0.662 231 G HN 0.593 nan 8.290 nan 0.000 0.527 232 Y N -0.670 119.815 120.300 0.308 0.000 2.659 232 Y HA 0.738 5.299 4.550 0.018 0.000 0.333 232 Y C 0.445 176.553 175.900 0.345 0.000 1.064 232 Y CA -1.078 57.264 58.100 0.403 0.000 1.141 232 Y CB 1.458 40.167 38.460 0.415 0.000 1.316 232 Y HN 0.054 nan 8.280 nan 0.000 0.509 233 E N 1.674 122.198 120.200 0.541 0.000 2.235 233 E HA 0.427 4.788 4.350 0.019 0.000 0.252 233 E C -1.921 174.858 176.600 0.299 0.000 0.886 233 E CA -0.287 56.307 56.400 0.323 0.000 0.767 233 E CB 0.668 30.509 29.700 0.234 0.000 1.205 233 E HN 0.513 nan 8.360 nan 0.000 0.421 234 L N 4.959 126.337 121.223 0.258 0.000 2.282 234 L HA 0.460 4.811 4.340 0.019 0.000 0.288 234 L C 0.141 177.082 176.870 0.117 0.000 1.033 234 L CA -0.733 54.279 54.840 0.287 0.000 0.807 234 L CB 0.884 43.144 42.059 0.335 0.000 1.209 234 L HN 0.476 nan 8.230 nan 0.000 0.423 235 H N 2.792 122.060 119.070 0.330 0.000 2.651 235 H HA 0.275 4.842 4.556 0.019 0.000 0.353 235 H C -1.764 173.758 175.328 0.324 0.000 1.178 235 H CA -1.877 54.306 56.048 0.226 0.000 1.224 235 H CB 2.012 31.853 29.762 0.132 0.000 1.702 235 H HN 0.287 nan 8.280 nan 0.000 0.550 236 P HA -0.124 nan 4.420 nan 0.000 0.218 236 P C 0.386 177.921 177.300 0.392 0.000 1.149 236 P CA 1.601 64.870 63.100 0.282 0.000 0.817 236 P CB 0.239 32.039 31.700 0.166 0.000 0.785 237 D N -2.422 118.201 120.400 0.372 0.000 2.398 237 D HA 0.056 4.708 4.640 0.019 0.000 0.210 237 D C 0.626 177.017 176.300 0.152 0.000 1.094 237 D CA -0.152 54.039 54.000 0.319 0.000 0.839 237 D CB 0.057 40.918 40.800 0.102 0.000 0.963 237 D HN 0.202 nan 8.370 nan 0.000 0.506 238 K N -0.889 119.574 120.400 0.105 0.000 2.614 238 K HA 0.425 4.756 4.320 0.019 0.000 0.293 238 K C -1.663 174.957 176.600 0.034 0.000 1.045 238 K CA -1.196 54.927 56.287 -0.272 0.000 0.880 238 K CB 1.282 33.649 32.500 -0.222 0.000 1.552 238 K HN 0.187 nan 8.250 nan 0.000 0.404 239 W N 0.020 121.230 121.300 -0.150 0.000 3.213 239 W HA 0.658 5.330 4.660 0.019 0.000 0.318 239 W C -1.813 174.770 176.519 0.107 0.000 1.248 239 W CA -0.678 56.703 57.345 0.059 0.000 1.187 239 W CB 1.212 30.695 29.460 0.038 0.000 1.403 239 W HN 0.904 nan 8.180 nan 0.000 0.556 240 T N 0.105 114.795 114.554 0.225 0.000 2.645 240 T HA 0.600 4.962 4.350 0.019 0.000 0.300 240 T C -1.116 173.866 174.700 0.469 0.000 1.210 240 T CA -0.012 62.079 62.100 -0.015 0.000 1.034 240 T CB 0.955 69.814 68.868 -0.016 0.000 1.537 240 T HN 0.981 nan 8.240 nan 0.000 0.492 241 V N 1.538 121.663 119.914 0.351 0.000 2.617 241 V HA 0.658 4.790 4.120 0.019 0.000 0.298 241 V C 0.398 176.698 176.094 0.343 0.000 1.048 241 V CA -0.949 61.610 62.300 0.432 0.000 0.964 241 V CB 0.919 32.970 31.823 0.380 0.000 1.004 241 V HN 1.066 nan 8.190 nan 0.000 0.466 242 Q N 2.264 122.246 119.800 0.303 0.000 2.428 242 Q HA 0.266 4.618 4.340 0.019 0.000 0.276 242 Q C -2.342 173.768 176.000 0.184 0.000 1.059 242 Q CA -1.262 54.668 55.803 0.210 0.000 0.923 242 Q CB -0.950 27.877 28.738 0.147 0.000 1.283 242 Q HN 0.602 nan 8.270 nan 0.000 0.447 243 P HA -0.057 nan 4.420 nan 0.000 0.257 243 P C -1.081 176.272 177.300 0.088 0.000 1.162 243 P CA 0.666 63.833 63.100 0.113 0.000 0.762 243 P CB 0.137 31.889 31.700 0.087 0.000 0.753 244 I N 5.086 125.701 120.570 0.075 0.000 2.598 244 I HA 0.160 4.342 4.170 0.019 0.000 0.277 244 I C -1.150 174.969 176.117 0.003 0.000 1.179 244 I CA -0.426 60.901 61.300 0.045 0.000 1.081 244 I CB 1.205 39.247 38.000 0.069 0.000 1.272 244 I HN -0.041 nan 8.210 nan 0.000 0.471 245 V N 6.252 126.171 119.914 0.008 0.000 2.975 245 V HA 0.534 4.666 4.120 0.019 0.000 0.318 245 V C 0.293 176.400 176.094 0.021 0.000 1.077 245 V CA -0.967 61.331 62.300 -0.004 0.000 1.000 245 V CB 2.028 33.853 31.823 0.003 0.000 1.066 245 V HN 0.443 nan 8.190 nan 0.000 0.452 246 L N 2.807 124.050 121.223 0.034 0.000 2.371 246 L HA 0.377 4.728 4.340 0.019 0.000 0.272 246 L C -2.124 174.812 176.870 0.111 0.000 1.124 246 L CA -1.499 53.395 54.840 0.089 0.000 0.816 246 L CB 0.094 42.214 42.059 0.102 0.000 1.129 246 L HN 0.446 nan 8.230 nan 0.000 0.448 247 P HA 0.036 nan 4.420 nan 0.000 0.267 247 P C -0.774 176.576 177.300 0.084 0.000 1.200 247 P CA -0.153 62.973 63.100 0.043 0.000 0.772 247 P CB 0.520 32.177 31.700 -0.071 0.000 0.855 248 E N 2.334 122.534 120.200 -0.001 0.000 2.151 248 E HA 0.509 4.870 4.350 0.019 0.000 0.275 248 E C -0.855 175.692 176.600 -0.089 0.000 0.936 248 E CA -0.502 55.916 56.400 0.029 0.000 0.777 248 E CB 0.671 30.382 29.700 0.018 0.000 1.108 248 E HN 0.234 nan 8.360 nan 0.000 0.401 249 K N 2.649 123.011 120.400 -0.064 0.000 2.607 249 K HA 0.285 4.616 4.320 0.019 0.000 0.287 249 K C -0.550 176.019 176.600 -0.050 0.000 0.996 249 K CA -0.559 55.588 56.287 -0.233 0.000 0.876 249 K CB 1.336 33.382 32.500 -0.757 0.000 1.496 249 K HN 0.414 nan 8.250 nan 0.000 0.415 250 D N -0.301 120.052 120.400 -0.078 0.000 2.323 250 D HA -0.010 4.641 4.640 0.019 0.000 0.218 250 D C -0.145 176.196 176.300 0.069 0.000 0.973 250 D CA 0.807 54.824 54.000 0.029 0.000 0.890 250 D CB 0.624 41.425 40.800 0.003 0.000 1.011 250 D HN 0.432 nan 8.370 nan 0.000 0.499 251 S N -0.062 115.617 115.700 -0.035 0.000 2.596 251 S HA 0.439 4.920 4.470 0.019 0.000 0.318 251 S C -1.116 173.463 174.600 -0.035 0.000 1.097 251 S CA -0.858 57.359 58.200 0.029 0.000 1.080 251 S CB 0.768 63.966 63.200 -0.004 0.000 0.991 251 S HN 0.022 nan 8.310 nan 0.000 0.471 252 W N 2.116 123.411 121.300 -0.007 0.000 2.433 252 W HA 0.526 5.199 4.660 0.021 0.000 0.315 252 W C 0.708 177.222 176.519 -0.008 0.000 1.087 252 W CA -0.366 56.974 57.345 -0.008 0.000 1.205 252 W CB 1.787 31.242 29.460 -0.008 0.000 1.288 252 W HN 0.569 nan 8.180 nan 0.000 0.504 253 T N 1.963 116.628 114.554 0.185 0.000 2.928 253 T HA 0.127 4.489 4.350 0.019 0.000 0.284 253 T C 1.220 175.997 174.700 0.129 0.000 1.008 253 T CA -0.567 61.599 62.100 0.111 0.000 1.057 253 T CB 1.482 70.376 68.868 0.042 0.000 1.018 253 T HN 0.268 nan 8.240 nan 0.000 0.493 254 V N 3.822 123.786 119.914 0.084 0.000 2.278 254 V HA -0.245 3.886 4.120 0.019 0.000 0.251 254 V C 2.480 178.617 176.094 0.071 0.000 1.062 254 V CA 2.474 64.815 62.300 0.068 0.000 1.038 254 V CB -0.852 30.995 31.823 0.040 0.000 0.646 254 V HN 0.862 nan 8.190 nan 0.000 0.447 255 N N 0.216 118.951 118.700 0.057 0.000 2.061 255 N HA -0.210 4.542 4.740 0.019 0.000 0.193 255 N C 1.539 177.093 175.510 0.074 0.000 1.030 255 N CA 2.016 55.095 53.050 0.048 0.000 0.856 255 N CB -0.269 38.233 38.487 0.026 0.000 1.023 255 N HN 0.525 nan 8.380 nan 0.000 0.424 256 D N 0.217 120.681 120.400 0.107 0.000 2.123 256 D HA -0.146 4.505 4.640 0.019 0.000 0.196 256 D C 1.993 178.463 176.300 0.284 0.000 0.992 256 D CA 0.868 54.975 54.000 0.178 0.000 0.833 256 D CB -0.219 40.695 40.800 0.191 0.000 0.954 256 D HN 0.362 nan 8.370 nan 0.000 0.455 257 I N 1.304 122.029 120.570 0.258 0.000 2.163 257 I HA -0.262 3.920 4.170 0.019 0.000 0.243 257 I C 2.429 178.593 176.117 0.079 0.000 1.085 257 I CA 1.302 62.685 61.300 0.140 0.000 1.347 257 I CB -1.006 37.033 38.000 0.065 0.000 1.044 257 I HN 0.109 nan 8.210 nan 0.000 0.408 258 Q N 0.694 120.535 119.800 0.068 0.000 2.124 258 Q HA -0.190 4.162 4.340 0.019 0.000 0.202 258 Q C 2.225 178.254 176.000 0.047 0.000 0.977 258 Q CA 1.318 57.147 55.803 0.043 0.000 0.850 258 Q CB -0.122 28.635 28.738 0.032 0.000 0.901 258 Q HN 0.519 nan 8.270 nan 0.000 0.429 259 K N 0.332 120.769 120.400 0.062 0.000 2.097 259 K HA -0.127 4.204 4.320 0.019 0.000 0.205 259 K C 2.046 178.687 176.600 0.069 0.000 1.050 259 K CA 0.658 56.976 56.287 0.052 0.000 0.938 259 K CB -0.094 32.433 32.500 0.045 0.000 0.718 259 K HN 0.062 nan 8.250 nan 0.000 0.442 260 L N 0.976 122.264 121.223 0.110 0.000 1.994 260 L HA -0.158 4.193 4.340 0.019 0.000 0.208 260 L C 2.024 178.924 176.870 0.048 0.000 1.071 260 L CA 1.501 56.406 54.840 0.107 0.000 0.745 260 L CB -0.399 41.741 42.059 0.135 0.000 0.892 260 L HN -0.124 nan 8.230 nan 0.000 0.431 261 V N 0.276 120.207 119.914 0.029 0.000 2.392 261 V HA -0.256 3.875 4.120 0.019 0.000 0.249 261 V C 2.601 178.721 176.094 0.043 0.000 1.059 261 V CA 1.817 64.127 62.300 0.018 0.000 1.051 261 V CB -1.643 30.184 31.823 0.008 0.000 0.658 261 V HN 0.669 nan 8.190 nan 0.000 0.455 262 G N -0.247 108.582 108.800 0.048 0.000 2.421 262 G HA2 -0.234 3.737 3.960 0.019 0.000 0.216 262 G HA3 -0.234 3.737 3.960 0.019 0.000 0.216 262 G C 1.647 176.604 174.900 0.094 0.000 1.171 262 G CA 0.777 45.912 45.100 0.059 0.000 0.775 262 G HN 0.489 nan 8.290 nan 0.000 0.543 263 K N -0.379 120.070 120.400 0.081 0.000 2.155 263 K HA 0.102 4.434 4.320 0.019 0.000 0.203 263 K C 2.337 179.025 176.600 0.146 0.000 1.052 263 K CA 0.268 56.625 56.287 0.116 0.000 0.948 263 K CB -0.176 32.366 32.500 0.070 0.000 0.728 263 K HN 0.134 nan 8.250 nan 0.000 0.448 264 L N 1.808 123.082 121.223 0.085 0.000 2.093 264 L HA -0.143 4.209 4.340 0.019 0.000 0.208 264 L C 1.576 178.497 176.870 0.084 0.000 1.085 264 L CA 1.672 56.542 54.840 0.051 0.000 0.755 264 L CB -1.334 40.731 42.059 0.011 0.000 0.904 264 L HN 0.166 nan 8.230 nan 0.000 0.435 265 N N -1.172 117.596 118.700 0.114 0.000 2.084 265 N HA -0.257 4.494 4.740 0.019 0.000 0.190 265 N C 1.687 177.303 175.510 0.176 0.000 1.030 265 N CA 1.296 54.422 53.050 0.127 0.000 0.849 265 N CB -0.439 38.126 38.487 0.130 0.000 1.012 265 N HN 0.411 nan 8.380 nan 0.000 0.423 266 W N 1.664 122.989 121.300 0.043 0.000 2.331 266 W HA -0.205 4.467 4.660 0.021 0.000 0.291 266 W C 1.545 178.129 176.519 0.108 0.000 1.214 266 W CA 1.510 58.888 57.345 0.055 0.000 1.228 266 W CB -0.142 29.321 29.460 0.006 0.000 1.135 266 W HN 0.105 nan 8.180 nan 0.000 0.537 267 A N -0.114 122.753 122.820 0.078 0.000 2.123 267 A HA -0.057 4.275 4.320 0.019 0.000 0.214 267 A C 1.925 179.566 177.584 0.096 0.000 1.152 267 A CA 1.280 53.355 52.037 0.062 0.000 0.728 267 A CB -0.779 18.244 19.000 0.039 0.000 0.814 267 A HN 0.210 nan 8.150 nan 0.000 0.464 268 S N 0.726 116.451 115.700 0.042 0.000 2.440 268 S HA -0.221 4.260 4.470 0.019 0.000 0.238 268 S C 1.982 176.580 174.600 -0.004 0.000 1.010 268 S CA 1.417 59.638 58.200 0.035 0.000 0.972 268 S CB -0.370 62.850 63.200 0.035 0.000 0.774 268 S HN 0.917 nan 8.310 nan 0.000 0.501 269 Q N -0.011 119.775 119.800 -0.024 0.000 2.437 269 Q HA 0.069 4.420 4.340 0.019 0.000 0.210 269 Q C 1.484 177.539 176.000 0.092 0.000 0.972 269 Q CA 0.976 56.806 55.803 0.044 0.000 0.903 269 Q CB -0.111 28.681 28.738 0.089 0.000 0.967 269 Q HN 0.559 nan 8.270 nan 0.000 0.486 270 I N -1.810 118.760 120.570 -0.001 0.000 4.983 270 I HA 0.197 4.379 4.170 0.019 0.000 0.346 270 I C -0.902 175.059 176.117 -0.259 0.000 1.261 270 I CA -0.556 60.639 61.300 -0.175 0.000 1.406 270 I CB 1.063 38.811 38.000 -0.421 0.000 1.529 270 I HN -0.006 nan 8.210 nan 0.000 0.524 271 Y N 5.162 125.401 120.300 -0.102 0.000 2.594 271 Y HA 0.471 5.032 4.550 0.017 0.000 0.342 271 Y C -2.103 173.756 175.900 -0.069 0.000 1.010 271 Y CA -2.553 55.496 58.100 -0.084 0.000 1.270 271 Y CB 0.208 38.632 38.460 -0.059 0.000 1.125 271 Y HN 0.066 nan 8.280 nan 0.000 0.513 272 P HA 0.163 nan 4.420 nan 0.000 0.271 272 P C 0.806 178.132 177.300 0.044 0.000 1.218 272 P CA 0.748 63.859 63.100 0.019 0.000 0.780 272 P CB 1.651 33.345 31.700 -0.010 0.000 0.901 273 G N 1.926 110.744 108.800 0.029 0.000 2.232 273 G HA2 -0.190 3.781 3.960 0.019 0.000 0.226 273 G HA3 -0.190 3.781 3.960 0.019 0.000 0.226 273 G C 0.244 175.153 174.900 0.014 0.000 0.996 273 G CA -0.411 44.701 45.100 0.021 0.000 0.626 273 G HN 0.473 nan 8.290 nan 0.000 0.509 274 I N 1.821 122.405 120.570 0.023 0.000 2.710 274 I HA 0.246 4.427 4.170 0.019 0.000 0.286 274 I C 0.712 176.829 176.117 -0.000 0.000 1.181 274 I CA 0.794 62.095 61.300 0.002 0.000 1.430 274 I CB 0.553 38.556 38.000 0.004 0.000 1.367 274 I HN 0.174 nan 8.210 nan 0.000 0.577 275 K N 4.911 125.302 120.400 -0.015 0.000 2.375 275 K HA 0.532 4.863 4.320 0.019 0.000 0.249 275 K C 0.263 176.847 176.600 -0.027 0.000 0.942 275 K CA -0.562 55.715 56.287 -0.017 0.000 0.806 275 K CB 2.939 35.424 32.500 -0.025 0.000 1.227 275 K HN 0.426 nan 8.250 nan 0.000 0.430 276 V N -1.494 118.407 119.914 -0.023 0.000 3.451 276 V HA 0.145 4.277 4.120 0.019 0.000 0.288 276 V C 1.811 177.882 176.094 -0.038 0.000 1.502 276 V CA -0.006 62.276 62.300 -0.031 0.000 1.026 276 V CB 0.187 32.002 31.823 -0.013 0.000 0.840 276 V HN 0.798 nan 8.190 nan 0.000 0.437 277 R N 0.698 121.178 120.500 -0.034 0.000 2.122 277 R HA -0.216 4.136 4.340 0.019 0.000 0.236 277 R C 2.372 178.644 176.300 -0.046 0.000 1.129 277 R CA 2.795 58.874 56.100 -0.035 0.000 0.925 277 R CB -0.284 29.997 30.300 -0.033 0.000 0.850 277 R HN 0.560 nan 8.270 nan 0.000 0.431 278 Q N 0.518 120.284 119.800 -0.056 0.000 2.135 278 Q HA -0.083 4.268 4.340 0.019 0.000 0.204 278 Q C 1.380 177.330 176.000 -0.083 0.000 0.981 278 Q CA 0.984 56.747 55.803 -0.066 0.000 0.856 278 Q CB -0.384 28.311 28.738 -0.071 0.000 0.902 278 Q HN 0.388 nan 8.270 nan 0.000 0.425 282 L N 1.958 123.156 121.223 -0.041 0.000 2.191 282 L HA -0.012 4.340 4.340 0.019 0.000 0.212 282 L C 1.738 178.599 176.870 -0.016 0.000 1.103 282 L CA 1.570 56.389 54.840 -0.035 0.000 0.769 282 L CB -0.670 41.356 42.059 -0.055 0.000 0.908 282 L HN 0.277 nan 8.230 nan 0.000 0.438 283 L N -0.845 120.370 121.223 -0.014 0.000 2.552 283 L HA -0.044 4.308 4.340 0.019 0.000 0.227 283 L C 0.894 177.762 176.870 -0.002 0.000 1.146 283 L CA -0.057 54.781 54.840 -0.003 0.000 0.858 283 L CB -0.406 41.652 42.059 -0.002 0.000 0.969 283 L HN 0.144 nan 8.230 nan 0.000 0.451 284 R N 0.944 121.440 120.500 -0.006 0.000 2.458 284 R HA 0.144 4.495 4.340 0.019 0.000 0.303 284 R C 1.210 177.509 176.300 -0.001 0.000 1.013 284 R CA 0.675 56.772 56.100 -0.005 0.000 1.026 284 R CB -0.055 30.241 30.300 -0.008 0.000 0.948 284 R HN 0.302 nan 8.270 nan 0.000 0.417 285 G N 2.330 111.130 108.800 0.000 0.000 2.155 285 G HA2 -0.341 3.630 3.960 0.019 0.000 0.257 285 G HA3 -0.341 3.630 3.960 0.019 0.000 0.257 285 G C 0.357 175.260 174.900 0.004 0.000 0.983 285 G CA 0.607 45.709 45.100 0.002 0.000 0.676 285 G HN 0.745 nan 8.290 nan 0.000 0.528 286 T N -1.420 113.137 114.554 0.006 0.000 2.928 286 T HA 0.460 4.821 4.350 0.019 0.000 0.305 286 T C 1.335 176.041 174.700 0.009 0.000 1.035 286 T CA 0.637 62.742 62.100 0.009 0.000 1.145 286 T CB 1.432 70.308 68.868 0.012 0.000 0.963 286 T HN 0.775 nan 8.240 nan 0.000 0.545 287 K N 1.223 121.629 120.400 0.009 0.000 2.354 287 K HA 0.577 4.908 4.320 0.019 0.000 0.194 287 K C 0.491 177.096 176.600 0.008 0.000 1.045 287 K CA -0.223 56.069 56.287 0.008 0.000 1.026 287 K CB 0.616 33.120 32.500 0.007 0.000 0.866 287 K HN 0.712 nan 8.250 nan 0.000 0.530 288 A N 0.585 123.411 122.820 0.011 0.000 2.574 288 A HA 0.437 4.768 4.320 0.019 0.000 0.297 288 A C -0.055 177.537 177.584 0.014 0.000 1.062 288 A CA -0.752 51.291 52.037 0.010 0.000 0.686 288 A CB 1.036 20.041 19.000 0.008 0.000 1.285 288 A HN 0.045 nan 8.150 nan 0.000 0.403 289 L N 1.206 122.437 121.223 0.012 0.000 2.127 289 L HA -0.124 4.228 4.340 0.019 0.000 0.211 289 L C 2.709 179.589 176.870 0.017 0.000 1.089 289 L CA 2.840 57.689 54.840 0.015 0.000 0.757 289 L CB -0.726 41.339 42.059 0.010 0.000 0.899 289 L HN 0.947 nan 8.230 nan 0.000 0.434 290 T N -3.862 110.699 114.554 0.012 0.000 3.148 290 T HA -0.016 4.346 4.350 0.019 0.000 0.253 290 T C 0.777 175.486 174.700 0.015 0.000 1.134 290 T CA -0.265 61.840 62.100 0.009 0.000 1.051 290 T CB -0.377 68.493 68.868 0.003 0.000 0.959 290 T HN 0.352 nan 8.240 nan 0.000 0.525 291 E N 1.347 121.560 120.200 0.021 0.000 2.360 291 E HA 0.296 4.657 4.350 0.019 0.000 0.269 291 E C -0.721 175.902 176.600 0.038 0.000 1.022 291 E CA -0.477 55.938 56.400 0.025 0.000 0.887 291 E CB 0.845 30.558 29.700 0.022 0.000 0.990 291 E HN 0.091 nan 8.360 nan 0.000 0.426 292 V N 5.941 125.878 119.914 0.038 0.000 2.686 292 V HA 0.297 4.429 4.120 0.019 0.000 0.295 292 V C 0.316 176.447 176.094 0.062 0.000 1.057 292 V CA -0.218 62.117 62.300 0.057 0.000 1.012 292 V CB 1.172 33.023 31.823 0.046 0.000 1.006 292 V HN 0.608 nan 8.190 nan 0.000 0.477 293 I N 5.698 126.321 120.570 0.089 0.000 2.534 293 I HA 0.350 4.532 4.170 0.019 0.000 0.286 293 I C -2.450 173.716 176.117 0.081 0.000 1.094 293 I CA -1.565 59.775 61.300 0.067 0.000 1.055 293 I CB 2.630 40.661 38.000 0.051 0.000 1.225 293 I HN 0.487 nan 8.210 nan 0.000 0.435 294 P HA 0.266 nan 4.420 nan 0.000 0.274 294 P C -0.923 176.387 177.300 0.017 0.000 1.237 294 P CA -0.374 62.761 63.100 0.059 0.000 0.793 294 P CB 1.244 32.968 31.700 0.041 0.000 0.977 295 L N 1.593 122.815 121.223 -0.000 0.000 2.276 295 L HA 0.229 4.581 4.340 0.019 0.000 0.286 295 L C 1.050 177.891 176.870 -0.048 0.000 1.061 295 L CA -0.473 54.327 54.840 -0.068 0.000 0.807 295 L CB 0.516 42.490 42.059 -0.141 0.000 1.177 295 L HN 0.356 nan 8.230 nan 0.000 0.429 296 T N 1.187 115.707 114.554 -0.056 0.000 2.906 296 T HA -0.087 4.274 4.350 0.019 0.000 0.320 296 T C 1.272 175.945 174.700 -0.045 0.000 1.088 296 T CA -0.102 61.973 62.100 -0.043 0.000 1.120 296 T CB 0.978 69.819 68.868 -0.046 0.000 1.000 296 T HN 0.705 nan 8.240 nan 0.000 0.550 297 E N 0.625 120.806 120.200 -0.032 0.000 2.171 297 E HA -0.223 4.138 4.350 0.019 0.000 0.197 297 E C 1.749 178.326 176.600 -0.038 0.000 0.997 297 E CA 1.315 57.698 56.400 -0.029 0.000 0.810 297 E CB 0.090 29.778 29.700 -0.021 0.000 0.738 297 E HN 0.578 nan 8.360 nan 0.000 0.467 298 E N -0.286 119.888 120.200 -0.042 0.000 2.152 298 E HA -0.035 4.327 4.350 0.019 0.000 0.192 298 E C 1.649 178.210 176.600 -0.066 0.000 0.983 298 E CA 1.033 57.404 56.400 -0.048 0.000 0.818 298 E CB -0.158 29.516 29.700 -0.043 0.000 0.758 298 E HN 0.367 nan 8.360 nan 0.000 0.467 299 A N 0.901 123.671 122.820 -0.084 0.000 1.898 299 A HA -0.170 4.161 4.320 0.019 0.000 0.216 299 A C 1.980 179.482 177.584 -0.136 0.000 1.181 299 A CA 1.394 53.356 52.037 -0.125 0.000 0.620 299 A CB -0.416 18.490 19.000 -0.157 0.000 0.819 299 A HN 0.116 nan 8.150 nan 0.000 0.442 300 E N -0.527 119.608 120.200 -0.107 0.000 2.110 300 E HA -0.172 4.190 4.350 0.019 0.000 0.193 300 E C 1.928 178.490 176.600 -0.064 0.000 0.988 300 E CA 0.967 57.317 56.400 -0.085 0.000 0.804 300 E CB -0.361 29.310 29.700 -0.048 0.000 0.745 300 E HN 0.471 nan 8.360 nan 0.000 0.458 301 L N 1.329 122.519 121.223 -0.055 0.000 2.056 301 L HA -0.129 4.222 4.340 0.019 0.000 0.207 301 L C 2.336 179.177 176.870 -0.049 0.000 1.078 301 L CA 1.706 56.520 54.840 -0.043 0.000 0.749 301 L CB -0.402 41.635 42.059 -0.037 0.000 0.901 301 L HN 0.096 nan 8.230 nan 0.000 0.433 302 E N -1.020 119.142 120.200 -0.063 0.000 2.072 302 E HA -0.242 4.119 4.350 0.019 0.000 0.191 302 E C 2.180 178.734 176.600 -0.076 0.000 0.985 302 E CA 1.103 57.464 56.400 -0.066 0.000 0.801 302 E CB -0.097 29.558 29.700 -0.075 0.000 0.750 302 E HN 0.338 nan 8.360 nan 0.000 0.452 303 L N 0.864 122.027 121.223 -0.100 0.000 2.027 303 L HA -0.034 4.318 4.340 0.019 0.000 0.206 303 L C 2.280 179.115 176.870 -0.058 0.000 1.074 303 L CA 2.167 56.944 54.840 -0.106 0.000 0.745 303 L CB -0.817 41.143 42.059 -0.166 0.000 0.898 303 L HN 0.152 nan 8.230 nan 0.000 0.433 304 A N -0.686 122.106 122.820 -0.045 0.000 1.940 304 A HA -0.245 4.087 4.320 0.019 0.000 0.219 304 A C 2.137 179.706 177.584 -0.025 0.000 1.176 304 A CA 2.016 54.039 52.037 -0.024 0.000 0.631 304 A CB -0.645 18.344 19.000 -0.019 0.000 0.814 304 A HN 0.661 nan 8.150 nan 0.000 0.446 305 E N -0.389 119.792 120.200 -0.032 0.000 2.152 305 E HA -0.116 4.246 4.350 0.019 0.000 0.192 305 E C 1.519 178.098 176.600 -0.034 0.000 0.983 305 E CA 0.738 57.120 56.400 -0.029 0.000 0.818 305 E CB -0.181 29.502 29.700 -0.028 0.000 0.758 305 E HN 0.551 nan 8.360 nan 0.000 0.467 306 N N 1.488 120.161 118.700 -0.045 0.000 2.171 306 N HA -0.126 4.626 4.740 0.019 0.000 0.184 306 N C 1.831 177.300 175.510 -0.068 0.000 1.021 306 N CA 1.046 54.060 53.050 -0.060 0.000 0.854 306 N CB -0.185 38.263 38.487 -0.066 0.000 0.994 306 N HN 0.290 nan 8.380 nan 0.000 0.426 307 R N 0.754 121.227 120.500 -0.044 0.000 2.189 307 R HA 0.081 4.432 4.340 0.019 0.000 0.223 307 R C 1.265 177.547 176.300 -0.031 0.000 1.092 307 R CA 0.880 56.959 56.100 -0.034 0.000 0.989 307 R CB -0.113 30.185 30.300 -0.004 0.000 0.876 307 R HN 0.059 nan 8.270 nan 0.000 0.457 308 E N 1.476 121.662 120.200 -0.024 0.000 2.051 308 E HA -0.024 4.337 4.350 0.019 0.000 0.189 308 E C 2.140 178.735 176.600 -0.008 0.000 0.979 308 E CA 0.878 57.270 56.400 -0.012 0.000 0.803 308 E CB -0.130 29.564 29.700 -0.009 0.000 0.761 308 E HN 0.392 nan 8.360 nan 0.000 0.451 309 I N 0.979 121.539 120.570 -0.017 0.000 2.208 309 I HA -0.254 3.928 4.170 0.019 0.000 0.245 309 I C 2.068 178.181 176.117 -0.007 0.000 1.097 309 I CA 0.972 62.280 61.300 0.012 0.000 1.363 309 I CB -0.205 37.799 38.000 0.007 0.000 1.051 309 I HN 0.014 nan 8.210 nan 0.000 0.413 310 L N 0.606 121.740 121.223 -0.148 0.000 2.650 310 L HA -0.084 4.268 4.340 0.019 0.000 0.235 310 L C 2.027 178.854 176.870 -0.073 0.000 1.149 310 L CA 0.315 54.991 54.840 -0.273 0.000 0.887 310 L CB -0.321 41.555 42.059 -0.306 0.000 1.021 310 L HN 0.132 nan 8.230 nan 0.000 0.441 311 K N 1.487 121.886 120.400 -0.002 0.000 2.308 311 K HA 0.006 4.337 4.320 0.019 0.000 0.197 311 K C 0.539 177.172 176.600 0.055 0.000 1.049 311 K CA 0.344 56.645 56.287 0.023 0.000 0.991 311 K CB 0.481 32.989 32.500 0.013 0.000 0.836 311 K HN 0.363 nan 8.250 nan 0.000 0.500 312 E N 1.587 121.835 120.200 0.081 0.000 2.063 312 E HA 0.330 4.691 4.350 0.019 0.000 0.265 312 E C -2.458 174.223 176.600 0.135 0.000 0.919 312 E CA -2.405 54.042 56.400 0.078 0.000 0.756 312 E CB 0.901 30.628 29.700 0.045 0.000 1.120 312 E HN -0.066 nan 8.360 nan 0.000 0.414 313 P HA -0.056 nan 4.420 nan 0.000 0.266 313 P C -0.733 176.542 177.300 -0.042 0.000 1.195 313 P CA -0.192 62.982 63.100 0.124 0.000 0.768 313 P CB 0.699 32.462 31.700 0.104 0.000 0.838 314 V N 0.454 120.214 119.914 -0.257 0.000 2.588 314 V HA 0.588 4.719 4.120 0.019 0.000 0.304 314 V C -0.253 175.565 176.094 -0.460 0.000 1.042 314 V CA -0.979 61.051 62.300 -0.450 0.000 0.877 314 V CB 1.242 32.680 31.823 -0.642 0.000 0.996 314 V HN 0.678 nan 8.190 nan 0.000 0.425 315 H N 1.742 120.605 119.070 -0.344 0.000 2.559 315 H HA 0.921 5.490 4.556 0.020 0.000 0.343 315 H C 0.130 175.134 175.328 -0.540 0.000 1.209 315 H CA -0.446 55.358 56.048 -0.407 0.000 1.287 315 H CB 1.776 31.379 29.762 -0.265 0.000 1.650 315 H HN 1.006 nan 8.280 nan 0.000 0.567 316 G N 0.477 108.891 108.800 -0.644 0.000 2.530 316 G HA2 0.491 4.462 3.960 0.019 0.000 0.316 316 G HA3 0.491 4.462 3.960 0.019 0.000 0.316 316 G C -0.825 173.897 174.900 -0.297 0.000 1.298 316 G CA -0.771 43.933 45.100 -0.661 0.000 0.948 316 G HN 0.586 nan 8.290 nan 0.000 0.486 317 V N 1.496 121.385 119.914 -0.042 0.000 3.264 317 V HA 0.303 4.434 4.120 0.019 0.000 0.304 317 V C 0.000 176.150 176.094 0.093 0.000 1.086 317 V CA -0.422 61.870 62.300 -0.015 0.000 1.090 317 V CB 0.726 32.590 31.823 0.067 0.000 1.112 317 V HN 0.597 nan 8.190 nan 0.000 0.472 318 Y N -0.283 120.195 120.300 0.297 0.000 2.408 318 Y HA 0.337 4.898 4.550 0.020 0.000 0.324 318 Y C 0.027 176.106 175.900 0.297 0.000 1.302 318 Y CA -0.994 57.294 58.100 0.313 0.000 1.384 318 Y CB 0.366 38.959 38.460 0.222 0.000 1.367 318 Y HN 0.562 nan 8.280 nan 0.000 0.525 319 Y N 1.669 122.203 120.300 0.391 0.000 2.402 319 Y HA 0.134 4.696 4.550 0.018 0.000 0.333 319 Y C -0.282 175.704 175.900 0.143 0.000 1.076 319 Y CA -0.552 57.684 58.100 0.228 0.000 1.299 319 Y CB 0.422 39.085 38.460 0.338 0.000 1.197 319 Y HN 0.502 nan 8.280 nan 0.000 0.517 320 D N 9.454 129.734 120.400 -0.200 0.000 2.412 320 D HA 0.191 4.843 4.640 0.019 0.000 0.224 320 D C -1.867 174.033 176.300 -0.667 0.000 1.093 320 D CA -2.597 51.217 54.000 -0.311 0.000 0.850 320 D CB 1.638 42.364 40.800 -0.124 0.000 1.046 320 D HN 0.399 nan 8.370 nan 0.000 0.507 321 P HA -0.117 nan 4.420 nan 0.000 0.228 321 P C 0.987 178.117 177.300 -0.284 0.000 1.151 321 P CA 0.565 63.238 63.100 -0.711 0.000 0.770 321 P CB 0.211 31.650 31.700 -0.434 0.000 0.786 322 S N -1.667 113.904 115.700 -0.215 0.000 2.496 322 S HA 0.049 4.530 4.470 0.019 0.000 0.224 322 S C 0.915 175.458 174.600 -0.095 0.000 0.996 322 S CA 0.128 58.258 58.200 -0.116 0.000 0.927 322 S CB -0.444 62.704 63.200 -0.087 0.000 0.774 322 S HN 0.140 nan 8.310 nan 0.000 0.524 323 K N 1.389 121.719 120.400 -0.117 0.000 2.208 323 K HA 0.415 4.747 4.320 0.019 0.000 0.247 323 K C -0.943 175.613 176.600 -0.075 0.000 0.953 323 K CA -0.889 55.349 56.287 -0.082 0.000 0.837 323 K CB 0.804 33.261 32.500 -0.071 0.000 1.131 323 K HN 0.078 nan 8.250 nan 0.000 0.431 324 D N 1.127 121.483 120.400 -0.074 0.000 2.354 324 D HA 0.099 4.751 4.640 0.019 0.000 0.238 324 D C -0.196 176.009 176.300 -0.159 0.000 1.250 324 D CA 0.253 54.195 54.000 -0.096 0.000 0.911 324 D CB 0.632 41.371 40.800 -0.102 0.000 1.163 324 D HN 0.189 nan 8.370 nan 0.000 0.456 325 L N 1.408 122.492 121.223 -0.231 0.000 2.322 325 L HA 0.347 4.699 4.340 0.019 0.000 0.281 325 L C -0.454 176.147 176.870 -0.447 0.000 1.014 325 L CA -0.670 53.932 54.840 -0.397 0.000 0.815 325 L CB 1.380 43.148 42.059 -0.485 0.000 1.247 325 L HN 0.097 nan 8.230 nan 0.000 0.421 326 I N 2.857 123.064 120.570 -0.605 0.000 2.509 326 I HA 0.612 4.794 4.170 0.019 0.000 0.293 326 I C -0.007 175.604 176.117 -0.844 0.000 1.020 326 I CA -0.600 60.259 61.300 -0.736 0.000 1.088 326 I CB 1.827 39.238 38.000 -0.983 0.000 1.267 326 I HN 0.571 nan 8.210 nan 0.000 0.430 327 A N 5.446 127.835 122.820 -0.718 0.000 2.343 327 A HA 0.696 5.027 4.320 0.019 0.000 0.316 327 A C -0.579 176.830 177.584 -0.292 0.000 1.104 327 A CA -0.556 51.141 52.037 -0.567 0.000 0.768 327 A CB 1.578 20.035 19.000 -0.905 0.000 1.213 327 A HN 0.751 nan 8.150 nan 0.000 0.456 328 E N 2.430 122.585 120.200 -0.075 0.000 2.234 328 E HA 0.637 4.998 4.350 0.019 0.000 0.266 328 E C -1.411 175.301 176.600 0.188 0.000 0.877 328 E CA -0.426 56.021 56.400 0.079 0.000 0.758 328 E CB 1.357 31.140 29.700 0.138 0.000 1.170 328 E HN 0.658 nan 8.360 nan 0.000 0.415 329 I N 2.876 123.566 120.570 0.200 0.000 2.603 329 I HA 0.329 4.510 4.170 0.019 0.000 0.300 329 I C -0.679 175.594 176.117 0.260 0.000 1.017 329 I CA -0.859 60.594 61.300 0.255 0.000 1.098 329 I CB 1.976 40.095 38.000 0.198 0.000 1.279 329 I HN 0.444 nan 8.210 nan 0.000 0.437 330 Q N 3.587 123.570 119.800 0.305 0.000 2.397 330 Q HA 0.408 4.759 4.340 0.019 0.000 0.275 330 Q C -0.965 175.155 176.000 0.201 0.000 1.090 330 Q CA -0.914 55.023 55.803 0.224 0.000 0.809 330 Q CB 2.519 31.332 28.738 0.126 0.000 1.362 330 Q HN 0.360 nan 8.270 nan 0.000 0.431 331 K N 1.478 121.848 120.400 -0.051 0.000 2.253 331 K HA 0.171 4.502 4.320 0.019 0.000 0.277 331 K C -0.406 175.990 176.600 -0.341 0.000 1.053 331 K CA -0.054 55.855 56.287 -0.630 0.000 0.892 331 K CB 0.764 32.819 32.500 -0.742 0.000 1.102 331 K HN 0.657 nan 8.250 nan 0.000 0.469 332 Q N 3.598 123.201 119.800 -0.327 0.000 2.241 332 Q HA 0.218 4.570 4.340 0.019 0.000 0.296 332 Q C -0.645 175.246 176.000 -0.181 0.000 0.889 332 Q CA -0.086 55.615 55.803 -0.170 0.000 1.089 332 Q CB 0.466 29.157 28.738 -0.080 0.000 1.195 332 Q HN 1.009 nan 8.270 nan 0.000 0.451 333 G N 0.841 109.493 108.800 -0.247 0.000 2.357 333 G HA2 -0.170 3.802 3.960 0.019 0.000 0.643 333 G HA3 -0.170 3.802 3.960 0.019 0.000 0.643 333 G C -1.497 173.270 174.900 -0.221 0.000 1.358 333 G CA -0.968 44.024 45.100 -0.180 0.000 0.986 333 G HN 0.284 nan 8.290 nan 0.000 0.620 334 Q N 0.079 119.801 119.800 -0.131 0.000 2.274 334 Q HA 0.416 4.767 4.340 0.019 0.000 0.280 334 Q C 1.537 177.492 176.000 -0.074 0.000 1.047 334 Q CA 1.536 57.279 55.803 -0.099 0.000 0.907 334 Q CB 0.130 28.828 28.738 -0.066 0.000 1.171 334 Q HN 2.532 nan 8.270 nan 0.000 0.381 335 G N 3.047 111.836 108.800 -0.017 0.000 2.180 335 G HA2 -0.311 3.661 3.960 0.019 0.000 0.263 335 G HA3 -0.311 3.661 3.960 0.019 0.000 0.263 335 G C -0.149 174.802 174.900 0.085 0.000 0.989 335 G CA 0.709 45.873 45.100 0.106 0.000 0.692 335 G HN 0.563 nan 8.290 nan 0.000 0.526 336 Q N -1.113 118.581 119.800 -0.177 0.000 2.330 336 Q HA 0.677 5.028 4.340 0.019 0.000 0.269 336 Q C -1.031 174.727 176.000 -0.403 0.000 1.022 336 Q CA -0.601 55.123 55.803 -0.133 0.000 0.796 336 Q CB 1.019 29.691 28.738 -0.110 0.000 1.271 336 Q HN 0.358 nan 8.270 nan 0.000 0.450 337 W N 1.380 122.786 121.300 0.176 0.000 2.915 337 W HA 0.637 5.312 4.660 0.024 0.000 0.337 337 W C -0.484 176.165 176.519 0.218 0.000 1.102 337 W CA -0.679 56.777 57.345 0.185 0.000 1.224 337 W CB 1.847 31.424 29.460 0.195 0.000 1.416 337 W HN 0.554 nan 8.180 nan 0.000 0.503 338 T N -0.296 114.484 114.554 0.376 0.000 2.908 338 T HA 0.850 5.211 4.350 0.019 0.000 0.290 338 T C -1.178 173.738 174.700 0.360 0.000 1.034 338 T CA -0.753 61.511 62.100 0.272 0.000 1.010 338 T CB 1.994 70.940 68.868 0.130 0.000 1.068 338 T HN 0.539 nan 8.240 nan 0.000 0.481 339 Y N -0.932 119.468 120.300 0.167 0.000 2.638 339 Y HA 0.737 5.297 4.550 0.016 0.000 0.335 339 Y C -1.636 174.333 175.900 0.115 0.000 1.155 339 Y CA -1.317 56.867 58.100 0.140 0.000 1.046 339 Y CB 1.525 40.066 38.460 0.136 0.000 1.303 339 Y HN 0.845 nan 8.280 nan 0.000 0.460 340 Q N 2.318 122.238 119.800 0.201 0.000 2.353 340 Q HA 0.561 4.913 4.340 0.019 0.000 0.275 340 Q C -2.020 174.060 176.000 0.133 0.000 1.029 340 Q CA -0.733 55.135 55.803 0.108 0.000 0.848 340 Q CB 2.966 31.767 28.738 0.104 0.000 1.390 340 Q HN 0.902 nan 8.270 nan 0.000 0.401 341 I N 3.178 123.804 120.570 0.094 0.000 2.378 341 I HA 0.538 4.720 4.170 0.019 0.000 0.291 341 I C -0.952 175.102 176.117 -0.104 0.000 0.992 341 I CA -0.818 60.408 61.300 -0.122 0.000 1.154 341 I CB 1.039 38.997 38.000 -0.070 0.000 1.315 341 I HN 0.646 nan 8.210 nan 0.000 0.448 342 Y N 3.315 123.501 120.300 -0.190 0.000 2.644 342 Y HA 0.603 5.163 4.550 0.016 0.000 0.338 342 Y C -0.098 175.666 175.900 -0.227 0.000 1.119 342 Y CA -0.954 57.037 58.100 -0.182 0.000 1.060 342 Y CB 1.020 39.370 38.460 -0.184 0.000 1.294 342 Y HN 0.484 nan 8.280 nan 0.000 0.472 343 Q N -0.074 119.788 119.800 0.103 0.000 2.622 343 Q HA 0.100 4.451 4.340 0.019 0.000 0.208 343 Q C -0.462 175.602 176.000 0.107 0.000 0.911 343 Q CA -0.002 55.811 55.803 0.017 0.000 0.893 343 Q CB 0.414 29.135 28.738 -0.029 0.000 1.124 343 Q HN 0.723 nan 8.270 nan 0.000 0.634 344 E N 3.171 123.407 120.200 0.060 0.000 2.299 344 E HA 0.092 4.453 4.350 0.019 0.000 0.272 344 E C -2.462 174.077 176.600 -0.101 0.000 1.043 344 E CA -2.147 54.252 56.400 -0.001 0.000 0.895 344 E CB 0.767 30.466 29.700 -0.002 0.000 1.011 344 E HN -0.147 nan 8.360 nan 0.000 0.432 345 P HA -0.155 nan 4.420 nan 0.000 0.248 345 P C -0.688 176.215 177.300 -0.661 0.000 1.127 345 P CA 1.024 63.739 63.100 -0.643 0.000 0.801 345 P CB -0.257 31.290 31.700 -0.254 0.000 0.732 346 F N 0.652 120.030 119.950 -0.953 0.000 2.748 346 F HA -0.256 4.281 4.527 0.016 0.000 0.370 346 F C 0.961 176.586 175.800 -0.291 0.000 0.620 346 F CA 0.622 58.261 58.000 -0.603 0.000 1.233 346 F CB -1.307 37.460 39.000 -0.389 0.000 1.708 346 F HN 0.297 nan 8.300 nan 0.000 0.298 347 K N 2.294 122.622 120.400 -0.120 0.000 2.219 347 K HA 0.202 4.533 4.320 0.019 0.000 0.280 347 K C -0.012 176.602 176.600 0.023 0.000 1.104 347 K CA -0.230 56.042 56.287 -0.025 0.000 0.925 347 K CB 0.225 32.728 32.500 0.006 0.000 1.261 347 K HN 0.061 nan 8.250 nan 0.000 0.445 348 N N 3.300 121.998 118.700 -0.004 0.000 2.452 348 N HA -0.015 4.737 4.740 0.019 0.000 0.266 348 N C 1.268 176.827 175.510 0.080 0.000 1.209 348 N CA 0.132 53.208 53.050 0.043 0.000 0.929 348 N CB 0.735 39.208 38.487 -0.024 0.000 1.063 348 N HN 0.394 nan 8.380 nan 0.000 0.472 349 L N 1.745 123.070 121.223 0.170 0.000 2.162 349 L HA 0.085 4.437 4.340 0.019 0.000 0.205 349 L C 1.018 178.166 176.870 0.464 0.000 1.086 349 L CA 0.917 55.947 54.840 0.318 0.000 0.778 349 L CB 0.096 42.300 42.059 0.243 0.000 0.928 349 L HN 0.539 nan 8.230 nan 0.000 0.446 350 K N -1.349 119.244 120.400 0.321 0.000 2.685 350 K HA 0.308 4.639 4.320 0.019 0.000 0.290 350 K C -1.297 175.381 176.600 0.130 0.000 1.018 350 K CA -0.333 56.149 56.287 0.325 0.000 0.860 350 K CB 1.744 34.472 32.500 0.380 0.000 1.498 350 K HN -0.061 nan 8.250 nan 0.000 0.390 351 T N -1.388 113.170 114.554 0.006 0.000 2.787 351 T HA 0.901 5.262 4.350 0.019 0.000 0.297 351 T C -0.338 174.086 174.700 -0.460 0.000 1.221 351 T CA -0.202 61.758 62.100 -0.234 0.000 1.006 351 T CB 1.854 70.633 68.868 -0.148 0.000 1.328 351 T HN 0.919 nan 8.240 nan 0.000 0.509 352 G N 0.242 108.533 108.800 -0.849 0.000 2.441 352 G HA2 0.598 4.570 3.960 0.019 0.000 0.294 352 G HA3 0.598 4.570 3.960 0.019 0.000 0.294 352 G C -2.194 172.477 174.900 -0.381 0.000 1.393 352 G CA -1.110 43.617 45.100 -0.622 0.000 0.796 352 G HN 0.916 nan 8.290 nan 0.000 0.494 353 K N -1.069 119.370 120.400 0.065 0.000 2.385 353 K HA 0.704 5.035 4.320 0.019 0.000 0.248 353 K C -2.028 174.824 176.600 0.420 0.000 0.955 353 K CA -1.089 55.347 56.287 0.248 0.000 0.816 353 K CB 3.106 35.692 32.500 0.143 0.000 1.250 353 K HN 0.550 nan 8.250 nan 0.000 0.434 354 Y N 0.311 120.809 120.300 0.331 0.000 2.346 354 Y HA 0.505 5.066 4.550 0.018 0.000 0.332 354 Y C -0.764 175.314 175.900 0.297 0.000 0.985 354 Y CA -0.445 57.826 58.100 0.284 0.000 1.112 354 Y CB 1.980 40.588 38.460 0.247 0.000 1.170 354 Y HN 0.843 nan 8.280 nan 0.000 0.447 355 A N 5.556 128.297 122.820 -0.131 0.000 2.551 355 A HA 0.253 4.585 4.320 0.019 0.000 0.252 355 A C 0.510 178.002 177.584 -0.153 0.000 1.199 355 A CA -0.476 51.554 52.037 -0.011 0.000 0.972 355 A CB 0.080 19.089 19.000 0.015 0.000 1.153 355 A HN 0.646 nan 8.150 nan 0.000 0.559 356 R N 1.034 121.224 120.500 -0.516 0.000 2.480 356 R HA 0.167 4.518 4.340 0.019 0.000 0.303 356 R C -0.230 176.028 176.300 -0.071 0.000 0.985 356 R CA 0.223 56.136 56.100 -0.311 0.000 1.051 356 R CB 0.015 30.071 30.300 -0.407 0.000 0.935 356 R HN 0.431 nan 8.270 nan 0.000 0.410 357 M N 7.490 127.086 119.600 -0.008 0.000 2.495 357 M HA 0.200 4.692 4.480 0.019 0.000 0.346 357 M C -0.402 175.917 176.300 0.031 0.000 1.251 357 M CA -0.552 54.774 55.300 0.044 0.000 1.249 357 M CB 0.295 32.917 32.600 0.037 0.000 1.229 357 M HN 0.467 nan 8.290 nan 0.000 0.450 358 R N 3.391 123.922 120.500 0.052 0.000 2.413 358 R HA 0.490 4.841 4.340 0.019 0.000 0.333 358 R C 0.195 176.528 176.300 0.054 0.000 1.074 358 R CA 0.180 56.311 56.100 0.052 0.000 0.982 358 R CB -0.760 29.583 30.300 0.072 0.000 0.981 358 R HN 0.842 nan 8.270 nan 0.000 0.452 359 G N 1.023 109.842 108.800 0.032 0.000 2.515 359 G HA2 0.002 3.973 3.960 0.019 0.000 0.686 359 G HA3 0.002 3.973 3.960 0.019 0.000 0.686 359 G C 0.249 175.105 174.900 -0.073 0.000 1.274 359 G CA -0.417 44.693 45.100 0.017 0.000 0.874 359 G HN 0.498 nan 8.290 nan 0.000 0.631 360 A N 0.375 123.064 122.820 -0.219 0.000 2.067 360 A HA 0.396 4.727 4.320 0.019 0.000 0.217 360 A C 0.989 178.184 177.584 -0.648 0.000 1.156 360 A CA 1.958 53.696 52.037 -0.498 0.000 0.683 360 A CB -0.289 18.267 19.000 -0.740 0.000 0.808 360 A HN 1.051 nan 8.150 nan 0.000 0.455 361 H N -1.694 117.416 119.070 0.067 0.000 2.928 361 H HA 0.655 5.221 4.556 0.018 0.000 0.371 361 H C -0.725 174.634 175.328 0.052 0.000 1.186 361 H CA 0.165 56.245 56.048 0.054 0.000 1.134 361 H CB 1.552 31.349 29.762 0.058 0.000 1.824 361 H HN 0.207 nan 8.280 nan 0.000 0.554 362 T N -0.128 114.512 114.554 0.143 0.000 2.652 362 T HA 0.270 4.632 4.350 0.019 0.000 0.303 362 T C -0.997 173.680 174.700 -0.039 0.000 1.738 362 T CA -1.260 60.858 62.100 0.029 0.000 0.969 362 T CB 1.256 70.130 68.868 0.011 0.000 1.778 362 T HN 0.783 nan 8.240 nan 0.000 0.494 363 N N -1.189 117.399 118.700 -0.188 0.000 2.405 363 N HA 0.540 5.291 4.740 0.019 0.000 0.285 363 N C -0.283 175.124 175.510 -0.171 0.000 1.262 363 N CA -0.928 52.001 53.050 -0.203 0.000 0.773 363 N CB 0.700 38.941 38.487 -0.409 0.000 1.490 363 N HN 0.414 nan 8.380 nan 0.000 0.486 364 D N -0.260 120.134 120.400 -0.010 0.000 2.265 364 D HA -0.096 4.555 4.640 0.019 0.000 0.208 364 D C 1.484 177.734 176.300 -0.084 0.000 0.977 364 D CA 0.815 54.910 54.000 0.158 0.000 0.871 364 D CB 0.010 40.993 40.800 0.305 0.000 0.925 364 D HN 0.370 nan 8.370 nan 0.000 0.485 365 V N 0.482 120.182 119.914 -0.356 0.000 2.323 365 V HA -0.182 3.949 4.120 0.019 0.000 0.244 365 V C 2.418 178.165 176.094 -0.577 0.000 1.041 365 V CA 1.380 63.373 62.300 -0.512 0.000 1.025 365 V CB -0.312 31.021 31.823 -0.817 0.000 0.656 365 V HN 0.117 nan 8.190 nan 0.000 0.451 366 K N -0.016 119.943 120.400 -0.735 0.000 2.057 366 K HA -0.249 4.082 4.320 0.019 0.000 0.207 366 K C 2.270 178.680 176.600 -0.315 0.000 1.049 366 K CA 1.814 57.815 56.287 -0.478 0.000 0.931 366 K CB -0.131 32.100 32.500 -0.449 0.000 0.714 366 K HN 0.483 nan 8.250 nan 0.000 0.440 367 Q N 0.260 119.885 119.800 -0.291 0.000 2.230 367 Q HA -0.128 4.224 4.340 0.019 0.000 0.202 367 Q C 2.008 177.584 176.000 -0.706 0.000 0.963 367 Q CA 0.931 56.571 55.803 -0.271 0.000 0.866 367 Q CB 0.048 28.795 28.738 0.014 0.000 0.931 367 Q HN 0.347 nan 8.270 nan 0.000 0.452 368 L N -0.263 120.466 121.223 -0.824 0.000 2.131 368 L HA -0.029 4.322 4.340 0.019 0.000 0.206 368 L C 1.985 178.396 176.870 -0.765 0.000 1.087 368 L CA 1.728 55.891 54.840 -1.128 0.000 0.767 368 L CB -0.500 41.045 42.059 -0.856 0.000 0.917 368 L HN 0.043 nan 8.230 nan 0.000 0.441 369 T N -0.397 113.864 114.554 -0.489 0.000 2.867 369 T HA -0.140 4.221 4.350 0.019 0.000 0.268 369 T C 1.638 176.117 174.700 -0.368 0.000 1.057 369 T CA 1.722 63.623 62.100 -0.331 0.000 1.136 369 T CB -0.153 68.684 68.868 -0.052 0.000 0.874 369 T HN 0.471 nan 8.240 nan 0.000 0.466 370 E N 0.845 120.816 120.200 -0.382 0.000 2.158 370 E HA 0.089 4.450 4.350 0.019 0.000 0.191 370 E C 2.442 178.691 176.600 -0.586 0.000 0.982 370 E CA 0.702 56.917 56.400 -0.308 0.000 0.823 370 E CB -0.108 29.523 29.700 -0.114 0.000 0.766 370 E HN 0.443 nan 8.360 nan 0.000 0.468 371 A N 0.777 122.977 122.820 -1.033 0.000 1.930 371 A HA -0.097 4.234 4.320 0.019 0.000 0.217 371 A C 2.389 179.525 177.584 -0.746 0.000 1.175 371 A CA 0.797 52.015 52.037 -1.364 0.000 0.627 371 A CB -0.381 17.782 19.000 -1.395 0.000 0.815 371 A HN 0.113 nan 8.150 nan 0.000 0.443 372 V N -0.136 119.357 119.914 -0.701 0.000 2.626 372 V HA -0.202 3.930 4.120 0.019 0.000 0.252 372 V C 2.658 178.469 176.094 -0.472 0.000 1.067 372 V CA 1.826 63.673 62.300 -0.754 0.000 1.081 372 V CB -0.540 30.653 31.823 -1.051 0.000 0.686 372 V HN 0.516 nan 8.190 nan 0.000 0.468 373 Q N -0.224 119.367 119.800 -0.348 0.000 2.096 373 Q HA -0.102 4.249 4.340 0.019 0.000 0.197 373 Q C 2.367 178.304 176.000 -0.105 0.000 0.964 373 Q CA 1.019 56.717 55.803 -0.176 0.000 0.838 373 Q CB -0.346 28.328 28.738 -0.106 0.000 0.906 373 Q HN 0.470 nan 8.270 nan 0.000 0.444 374 K N 1.310 121.637 120.400 -0.121 0.000 2.009 374 K HA -0.113 4.218 4.320 0.019 0.000 0.210 374 K C 2.026 178.584 176.600 -0.071 0.000 1.049 374 K CA 1.091 57.361 56.287 -0.029 0.000 0.929 374 K CB -0.408 32.153 32.500 0.100 0.000 0.714 374 K HN 0.209 nan 8.250 nan 0.000 0.440 375 I N 0.952 121.423 120.570 -0.165 0.000 2.286 375 I HA -0.242 3.939 4.170 0.019 0.000 0.248 375 I C 2.178 178.321 176.117 0.044 0.000 1.115 375 I CA 1.356 62.573 61.300 -0.138 0.000 1.392 375 I CB -0.406 37.498 38.000 -0.161 0.000 1.065 375 I HN 0.190 nan 8.210 nan 0.000 0.418 376 T N -0.058 114.555 114.554 0.098 0.000 2.674 376 T HA -0.163 4.198 4.350 0.019 0.000 0.265 376 T C 1.946 176.679 174.700 0.055 0.000 1.039 376 T CA 2.056 64.227 62.100 0.118 0.000 1.150 376 T CB -0.370 68.540 68.868 0.071 0.000 0.864 376 T HN 0.337 nan 8.240 nan 0.000 0.427 377 T N 1.549 116.117 114.554 0.023 0.000 2.720 377 T HA -0.129 4.232 4.350 0.019 0.000 0.268 377 T C 1.926 176.622 174.700 -0.008 0.000 1.037 377 T CA 1.507 63.616 62.100 0.015 0.000 1.144 377 T CB -0.280 68.598 68.868 0.016 0.000 0.864 377 T HN 0.527 nan 8.240 nan 0.000 0.444 378 E N 0.611 120.799 120.200 -0.019 0.000 2.038 378 E HA -0.145 4.216 4.350 0.019 0.000 0.195 378 E C 2.389 178.912 176.600 -0.128 0.000 1.000 378 E CA 1.397 57.755 56.400 -0.070 0.000 0.803 378 E CB -0.084 29.588 29.700 -0.047 0.000 0.750 378 E HN 0.348 nan 8.360 nan 0.000 0.448 379 S N 0.500 116.197 115.700 -0.005 0.000 2.370 379 S HA -0.156 4.325 4.470 0.019 0.000 0.226 379 S C 1.952 176.581 174.600 0.047 0.000 1.033 379 S CA 1.143 59.422 58.200 0.131 0.000 1.011 379 S CB -0.250 63.112 63.200 0.269 0.000 0.852 379 S HN 0.308 nan 8.310 nan 0.000 0.457 380 I N 1.001 121.586 120.570 0.025 0.000 2.361 380 I HA -0.144 4.038 4.170 0.019 0.000 0.251 380 I C 2.094 178.186 176.117 -0.042 0.000 1.133 380 I CA 0.812 62.121 61.300 0.016 0.000 1.413 380 I CB -0.358 37.660 38.000 0.030 0.000 1.073 380 I HN 0.168 nan 8.210 nan 0.000 0.424 381 V N 0.994 120.852 119.914 -0.095 0.000 2.283 381 V HA -0.243 3.889 4.120 0.019 0.000 0.243 381 V C 2.225 178.178 176.094 -0.235 0.000 1.039 381 V CA 1.830 64.054 62.300 -0.125 0.000 1.016 381 V CB -0.254 31.499 31.823 -0.116 0.000 0.650 381 V HN 0.293 nan 8.190 nan 0.000 0.449 382 I N -1.558 118.743 120.570 -0.449 0.000 2.286 382 I HA -0.173 4.008 4.170 0.019 0.000 0.245 382 I C 1.998 177.611 176.117 -0.841 0.000 1.104 382 I CA 1.497 62.322 61.300 -0.792 0.000 1.397 382 I CB -0.184 36.954 38.000 -1.437 0.000 1.072 382 I HN 0.401 nan 8.210 nan 0.000 0.417 383 W N -0.068 121.076 121.300 -0.260 0.000 2.871 383 W HA 0.395 5.066 4.660 0.018 0.000 0.340 383 W C 1.434 177.840 176.519 -0.189 0.000 1.058 383 W CA 0.570 57.678 57.345 -0.395 0.000 1.633 383 W CB -0.251 28.842 29.460 -0.612 0.000 1.067 383 W HN 0.282 nan 8.180 nan 0.000 0.554 384 G N 2.477 111.305 108.800 0.046 0.000 2.143 384 G HA2 -0.304 3.668 3.960 0.019 0.000 0.248 384 G HA3 -0.304 3.668 3.960 0.019 0.000 0.248 384 G C 0.180 175.133 174.900 0.089 0.000 0.991 384 G CA 1.028 46.166 45.100 0.062 0.000 0.689 384 G HN 0.369 nan 8.290 nan 0.000 0.522 385 K N -1.900 118.566 120.400 0.111 0.000 2.617 385 K HA 0.688 5.019 4.320 0.019 0.000 0.293 385 K C -0.501 176.151 176.600 0.086 0.000 1.034 385 K CA -0.408 55.934 56.287 0.091 0.000 0.884 385 K CB 0.568 33.117 32.500 0.082 0.000 1.541 385 K HN 0.544 nan 8.250 nan 0.000 0.409 386 T N -0.304 114.281 114.554 0.052 0.000 2.829 386 T HA 0.538 4.899 4.350 0.019 0.000 0.282 386 T C -2.177 172.481 174.700 -0.070 0.000 0.990 386 T CA -1.556 60.562 62.100 0.030 0.000 1.028 386 T CB 1.175 70.091 68.868 0.080 0.000 0.951 386 T HN 0.483 nan 8.240 nan 0.000 0.460 387 P HA 0.406 nan 4.420 nan 0.000 0.278 387 P C -0.909 176.170 177.300 -0.368 0.000 1.258 387 P CA -0.825 62.041 63.100 -0.390 0.000 0.811 387 P CB 0.843 32.167 31.700 -0.626 0.000 1.063 388 K N 0.828 121.043 120.400 -0.310 0.000 2.297 388 K HA 0.334 4.665 4.320 0.019 0.000 0.286 388 K C -0.379 176.073 176.600 -0.247 0.000 1.053 388 K CA 0.101 56.286 56.287 -0.170 0.000 0.940 388 K CB -0.270 32.148 32.500 -0.135 0.000 1.019 388 K HN 0.281 nan 8.250 nan 0.000 0.475 389 F N 2.529 122.423 119.950 -0.093 0.000 2.394 389 F HA 0.291 4.828 4.527 0.016 0.000 0.340 389 F C 0.659 176.458 175.800 -0.003 0.000 1.105 389 F CA -0.413 57.533 58.000 -0.090 0.000 1.124 389 F CB 1.081 39.995 39.000 -0.143 0.000 1.145 389 F HN 0.072 nan 8.300 nan 0.000 0.505 390 K N 5.664 126.162 120.400 0.164 0.000 2.339 390 K HA 0.556 4.887 4.320 0.019 0.000 0.264 390 K C -1.065 175.632 176.600 0.163 0.000 0.986 390 K CA -0.324 56.050 56.287 0.144 0.000 0.866 390 K CB 1.650 34.190 32.500 0.066 0.000 1.103 390 K HN 0.578 nan 8.250 nan 0.000 0.441 391 L N 4.000 125.348 121.223 0.208 0.000 2.381 391 L HA 0.451 4.802 4.340 0.019 0.000 0.268 391 L C -2.085 174.915 176.870 0.216 0.000 0.997 391 L CA -2.152 52.757 54.840 0.115 0.000 0.818 391 L CB 2.517 44.457 42.059 -0.197 0.000 1.310 391 L HN 0.281 nan 8.230 nan 0.000 0.416 392 P HA 0.227 nan 4.420 nan 0.000 0.218 392 P C -0.657 176.884 177.300 0.402 0.000 1.793 392 P CA 0.340 63.601 63.100 0.268 0.000 0.941 392 P CB 0.326 32.146 31.700 0.201 0.000 1.919 393 I N -0.253 120.663 120.570 0.576 0.000 2.743 393 I HA 0.224 4.405 4.170 0.019 0.000 0.292 393 I C -1.158 175.159 176.117 0.334 0.000 1.343 393 I CA -0.882 60.630 61.300 0.353 0.000 1.038 393 I CB 2.774 40.858 38.000 0.141 0.000 1.311 393 I HN -0.096 nan 8.210 nan 0.000 0.426 394 Q N 4.936 124.662 119.800 -0.123 0.000 2.299 394 Q HA 0.230 4.582 4.340 0.019 0.000 0.246 394 Q C 0.367 176.447 176.000 0.132 0.000 0.935 394 Q CA -0.559 55.045 55.803 -0.332 0.000 0.887 394 Q CB 1.728 30.124 28.738 -0.569 0.000 1.223 394 Q HN 0.466 nan 8.270 nan 0.000 0.439 395 K N 1.591 122.022 120.400 0.052 0.000 2.059 395 K HA -0.282 4.049 4.320 0.019 0.000 0.212 395 K C 1.745 178.466 176.600 0.202 0.000 1.050 395 K CA 1.981 58.351 56.287 0.138 0.000 0.927 395 K CB -0.011 32.416 32.500 -0.121 0.000 0.714 395 K HN 0.693 nan 8.250 nan 0.000 0.447 396 E N -0.632 119.608 120.200 0.067 0.000 2.118 396 E HA -0.202 4.160 4.350 0.019 0.000 0.195 396 E C 1.376 178.036 176.600 0.101 0.000 0.992 396 E CA 1.730 58.168 56.400 0.063 0.000 0.804 396 E CB -0.001 29.698 29.700 -0.001 0.000 0.741 396 E HN 0.280 nan 8.360 nan 0.000 0.458 397 T N -0.114 114.501 114.554 0.101 0.000 2.777 397 T HA -0.152 4.210 4.350 0.019 0.000 0.266 397 T C 0.982 175.787 174.700 0.175 0.000 1.040 397 T CA 1.213 63.372 62.100 0.098 0.000 1.141 397 T CB -0.405 68.498 68.868 0.059 0.000 0.868 397 T HN 0.395 nan 8.240 nan 0.000 0.444 398 W N 2.189 123.567 121.300 0.130 0.000 2.353 398 W HA -0.073 4.595 4.660 0.014 0.000 0.319 398 W C 2.387 179.057 176.519 0.252 0.000 1.207 398 W CA 1.030 58.487 57.345 0.186 0.000 1.291 398 W CB -0.195 29.414 29.460 0.250 0.000 1.159 398 W HN 0.089 nan 8.180 nan 0.000 0.478 399 E N -0.623 119.790 120.200 0.356 0.000 2.049 399 E HA -0.245 4.116 4.350 0.019 0.000 0.198 399 E C 1.963 178.670 176.600 0.178 0.000 1.007 399 E CA 2.404 58.934 56.400 0.216 0.000 0.809 399 E CB -1.246 28.544 29.700 0.152 0.000 0.749 399 E HN 0.217 nan 8.360 nan 0.000 0.450 400 T N 0.868 115.506 114.554 0.139 0.000 2.802 400 T HA -0.186 4.175 4.350 0.019 0.000 0.269 400 T C 1.219 175.971 174.700 0.088 0.000 1.062 400 T CA 1.448 63.611 62.100 0.105 0.000 1.133 400 T CB -0.221 68.698 68.868 0.084 0.000 0.852 400 T HN 0.441 nan 8.240 nan 0.000 0.485 401 W N -0.646 120.581 121.300 -0.122 0.000 2.704 401 W HA 0.075 4.749 4.660 0.024 0.000 0.266 401 W C 1.764 178.160 176.519 -0.206 0.000 1.266 401 W CA -0.389 56.832 57.345 -0.206 0.000 1.377 401 W CB -0.702 28.566 29.460 -0.319 0.000 1.082 401 W HN 0.343 nan 8.180 nan 0.000 0.608 402 W N 2.749 123.776 121.300 -0.454 0.000 2.309 402 W HA -0.246 4.424 4.660 0.018 0.000 0.326 402 W C 2.531 178.845 176.519 -0.342 0.000 1.222 402 W CA 4.211 61.253 57.345 -0.504 0.000 1.237 402 W CB -0.787 28.380 29.460 -0.488 0.000 1.180 402 W HN -0.298 nan 8.180 nan 0.000 0.456 403 T N 1.059 115.765 114.554 0.254 0.000 2.714 403 T HA -0.343 4.018 4.350 0.019 0.000 0.268 403 T C 1.336 175.899 174.700 -0.227 0.000 1.036 403 T CA 2.165 64.285 62.100 0.033 0.000 1.148 403 T CB -0.634 68.423 68.868 0.316 0.000 0.856 403 T HN 0.637 nan 8.240 nan 0.000 0.462 404 E N -0.698 119.355 120.200 -0.246 0.000 2.478 404 E HA 0.017 4.378 4.350 0.019 0.000 0.194 404 E C 0.394 176.762 176.600 -0.385 0.000 1.045 404 E CA -0.205 56.034 56.400 -0.269 0.000 0.868 404 E CB -0.066 29.513 29.700 -0.201 0.000 0.885 404 E HN 0.462 nan 8.360 nan 0.000 0.505 405 Y N 1.794 121.600 120.300 -0.824 0.000 2.307 405 Y HA 0.056 4.620 4.550 0.022 0.000 0.324 405 Y C 1.034 176.578 175.900 -0.593 0.000 1.238 405 Y CA -1.918 55.611 58.100 -0.952 0.000 1.280 405 Y CB 0.572 38.212 38.460 -1.367 0.000 1.248 405 Y HN 0.134 nan 8.280 nan 0.000 0.508 406 W N 1.863 122.645 121.300 -0.863 0.000 2.523 406 W HA 0.120 4.793 4.660 0.021 0.000 0.278 406 W C 0.021 176.175 176.519 -0.607 0.000 1.236 406 W CA 0.022 56.983 57.345 -0.640 0.000 1.306 406 W CB -0.360 28.789 29.460 -0.519 0.000 1.101 406 W HN 0.489 nan 8.180 nan 0.000 0.577 407 Q N 1.495 120.553 119.800 -1.236 0.000 2.368 407 Q HA 0.445 4.796 4.340 0.019 0.000 0.237 407 Q C -0.271 175.505 176.000 -0.373 0.000 0.987 407 Q CA -0.174 55.242 55.803 -0.646 0.000 0.896 407 Q CB 1.296 29.438 28.738 -0.993 0.000 1.241 407 Q HN 0.087 nan 8.270 nan 0.000 0.485 408 A N 1.839 124.562 122.820 -0.161 0.000 2.309 408 A HA 0.602 4.933 4.320 0.019 0.000 0.298 408 A C -0.456 177.152 177.584 0.041 0.000 1.165 408 A CA -0.130 51.850 52.037 -0.095 0.000 0.821 408 A CB 1.561 20.547 19.000 -0.024 0.000 1.102 408 A HN 0.628 nan 8.150 nan 0.000 0.500 409 T N 1.940 116.598 114.554 0.174 0.000 2.853 409 T HA 0.617 4.979 4.350 0.019 0.000 0.311 409 T C -2.210 172.907 174.700 0.696 0.000 1.307 409 T CA -0.356 61.959 62.100 0.358 0.000 1.019 409 T CB 1.169 70.228 68.868 0.319 0.000 1.264 409 T HN 1.039 nan 8.240 nan 0.000 0.497 410 W N 5.853 127.361 121.300 0.346 0.000 3.544 410 W HA 0.511 5.184 4.660 0.022 0.000 0.326 410 W C -2.506 174.082 176.519 0.115 0.000 1.137 410 W CA -0.929 56.607 57.345 0.318 0.000 1.252 410 W CB 0.766 30.363 29.460 0.229 0.000 1.302 410 W HN 0.598 nan 8.180 nan 0.000 0.467 411 I N 8.552 128.716 120.570 -0.676 0.000 2.359 411 I HA 0.271 4.453 4.170 0.019 0.000 0.294 411 I C -1.241 174.034 176.117 -1.403 0.000 0.987 411 I CA -2.039 58.654 61.300 -1.011 0.000 1.225 411 I CB 1.861 39.193 38.000 -1.112 0.000 1.366 411 I HN 0.165 nan 8.210 nan 0.000 0.466 412 P HA -0.025 nan 4.420 nan 0.000 0.278 412 P C -0.873 176.253 177.300 -0.290 0.000 1.270 412 P CA -0.371 62.396 63.100 -0.554 0.000 0.800 412 P CB 0.168 31.773 31.700 -0.159 0.000 1.142 413 E N 0.563 120.705 120.200 -0.096 0.000 2.493 413 E HA 0.085 4.446 4.350 0.019 0.000 0.255 413 E C -0.382 176.271 176.600 0.088 0.000 0.999 413 E CA -0.295 56.080 56.400 -0.042 0.000 0.934 413 E CB -0.241 29.445 29.700 -0.024 0.000 0.940 413 E HN 0.427 nan 8.360 nan 0.000 0.473 414 W N 2.447 123.635 121.300 -0.186 0.000 3.033 414 W HA 0.539 5.207 4.660 0.013 0.000 0.336 414 W C -1.356 175.107 176.519 -0.093 0.000 1.173 414 W CA -1.183 56.086 57.345 -0.127 0.000 1.185 414 W CB 0.818 30.154 29.460 -0.207 0.000 1.425 414 W HN 0.625 nan 8.180 nan 0.000 0.536 415 E N 2.324 122.618 120.200 0.156 0.000 2.176 415 E HA 0.329 4.691 4.350 0.019 0.000 0.267 415 E C -1.455 175.291 176.600 0.243 0.000 0.893 415 E CA -0.871 55.544 56.400 0.027 0.000 0.761 415 E CB 1.747 31.456 29.700 0.014 0.000 1.133 415 E HN 0.285 nan 8.360 nan 0.000 0.409 416 F N 4.991 124.957 119.950 0.028 0.000 2.572 416 F HA 0.240 4.768 4.527 0.002 0.000 0.370 416 F C -0.930 174.945 175.800 0.125 0.000 1.103 416 F CA -0.038 58.072 58.000 0.183 0.000 1.286 416 F CB 0.984 40.041 39.000 0.094 0.000 1.105 416 F HN 0.188 nan 8.300 nan 0.000 0.583 417 V N 7.994 127.508 119.914 -0.666 0.000 2.419 417 V HA 0.251 4.382 4.120 0.019 0.000 0.287 417 V C -0.275 175.286 176.094 -0.890 0.000 1.017 417 V CA -0.825 61.086 62.300 -0.650 0.000 0.844 417 V CB 1.044 32.758 31.823 -0.183 0.000 1.011 417 V HN 0.860 nan 8.190 nan 0.000 0.429 418 N N 4.567 122.681 118.700 -0.977 0.000 2.598 418 N HA 0.079 4.830 4.740 0.019 0.000 0.300 418 N C -0.504 174.902 175.510 -0.172 0.000 1.224 418 N CA 0.200 52.962 53.050 -0.480 0.000 1.125 418 N CB 0.076 38.445 38.487 -0.197 0.000 1.468 418 N HN 0.739 nan 8.380 nan 0.000 0.504 419 T N 2.498 116.986 114.554 -0.110 0.000 3.009 419 T HA 0.276 4.638 4.350 0.019 0.000 0.346 419 T C -2.555 172.160 174.700 0.025 0.000 1.092 419 T CA -1.141 60.944 62.100 -0.025 0.000 1.080 419 T CB 1.621 70.483 68.868 -0.009 0.000 1.037 419 T HN 0.229 nan 8.240 nan 0.000 0.487 420 P HA 0.273 nan 4.420 nan 0.000 0.270 420 P C -2.269 175.049 177.300 0.031 0.000 1.223 420 P CA -1.241 61.886 63.100 0.046 0.000 0.785 420 P CB -0.342 31.380 31.700 0.038 0.000 0.923 421 P HA 0.154 nan 4.420 nan 0.000 0.276 421 P C -0.484 176.861 177.300 0.075 0.000 1.235 421 P CA 0.106 63.230 63.100 0.039 0.000 0.772 421 P CB 0.568 32.282 31.700 0.024 0.000 0.871 422 L N 2.994 124.272 121.223 0.091 0.000 2.439 422 L HA 0.213 4.564 4.340 0.019 0.000 0.269 422 L C 1.016 177.944 176.870 0.098 0.000 1.179 422 L CA -0.802 54.127 54.840 0.148 0.000 0.828 422 L CB 0.956 43.117 42.059 0.171 0.000 1.106 422 L HN 0.280 nan 8.230 nan 0.000 0.467 423 V N 1.050 121.048 119.914 0.139 0.000 2.539 423 V HA 0.679 4.810 4.120 0.019 0.000 0.292 423 V C -0.287 175.817 176.094 0.017 0.000 1.045 423 V CA -0.508 61.861 62.300 0.115 0.000 0.945 423 V CB 1.339 33.291 31.823 0.216 0.000 0.993 423 V HN 0.966 nan 8.190 nan 0.000 0.464 424 K N 3.812 124.172 120.400 -0.066 0.000 2.556 424 K HA 0.650 4.982 4.320 0.019 0.000 0.289 424 K C -1.752 174.740 176.600 -0.179 0.000 1.040 424 K CA -1.169 55.029 56.287 -0.148 0.000 0.894 424 K CB 1.756 34.114 32.500 -0.236 0.000 1.547 424 K HN 0.568 nan 8.250 nan 0.000 0.417 425 L N 1.388 122.513 121.223 -0.163 0.000 2.275 425 L HA 0.347 4.699 4.340 0.019 0.000 0.288 425 L C 0.086 176.896 176.870 -0.101 0.000 1.046 425 L CA -0.701 54.084 54.840 -0.091 0.000 0.805 425 L CB 0.573 42.583 42.059 -0.082 0.000 1.193 425 L HN 0.658 nan 8.230 nan 0.000 0.426 426 W N 2.449 123.740 121.300 -0.015 0.000 2.584 426 W HA 0.012 4.685 4.660 0.022 0.000 0.264 426 W C 0.320 176.965 176.519 0.210 0.000 1.264 426 W CA 0.035 57.447 57.345 0.111 0.000 1.306 426 W CB -0.246 29.326 29.460 0.186 0.000 1.110 426 W HN 0.501 nan 8.180 nan 0.000 0.606 427 Y N -2.910 117.526 120.300 0.226 0.000 2.764 427 Y HA 0.697 5.257 4.550 0.016 0.000 0.331 427 Y C -1.032 174.941 175.900 0.121 0.000 1.280 427 Y CA -2.357 55.831 58.100 0.147 0.000 1.065 427 Y CB 0.604 39.146 38.460 0.137 0.000 1.319 427 Y HN -0.157 nan 8.280 nan 0.000 0.453 428 Q N 1.245 121.175 119.800 0.217 0.000 2.352 428 Q HA 0.509 4.860 4.340 0.019 0.000 0.270 428 Q C -1.908 174.220 176.000 0.213 0.000 1.006 428 Q CA -0.772 55.096 55.803 0.108 0.000 0.880 428 Q CB 3.197 31.974 28.738 0.065 0.000 1.392 428 Q HN 0.741 nan 8.270 nan 0.000 0.401 429 L N 2.275 123.610 121.223 0.187 0.000 2.349 429 L HA 0.272 4.624 4.340 0.019 0.000 0.275 429 L C 0.644 177.608 176.870 0.157 0.000 1.115 429 L CA -0.587 54.358 54.840 0.175 0.000 0.820 429 L CB 0.497 42.636 42.059 0.134 0.000 1.135 429 L HN 0.469 nan 8.230 nan 0.000 0.445 430 E N 2.484 122.800 120.200 0.193 0.000 2.447 430 E HA -0.014 4.347 4.350 0.019 0.000 0.259 430 E C 0.158 176.909 176.600 0.252 0.000 1.196 430 E CA 0.247 56.766 56.400 0.199 0.000 0.995 430 E CB 0.591 30.416 29.700 0.208 0.000 0.974 430 E HN 0.440 nan 8.360 nan 0.000 0.465 431 K N 0.638 121.148 120.400 0.183 0.000 2.358 431 K HA 0.076 4.407 4.320 0.019 0.000 0.200 431 K C 0.222 176.929 176.600 0.178 0.000 1.030 431 K CA 0.109 56.509 56.287 0.188 0.000 1.097 431 K CB 0.597 33.157 32.500 0.100 0.000 0.862 431 K HN 0.494 nan 8.250 nan 0.000 0.534 432 E N 1.084 121.306 120.200 0.036 0.000 2.366 432 E HA 0.323 4.684 4.350 0.019 0.000 0.278 432 E C -3.034 173.104 176.600 -0.770 0.000 0.923 432 E CA -2.417 53.817 56.400 -0.277 0.000 0.761 432 E CB 2.060 31.677 29.700 -0.140 0.000 1.231 432 E HN -0.279 nan 8.360 nan 0.000 0.443 433 P HA 0.055 nan 4.420 nan 0.000 0.268 433 P C -0.279 176.790 177.300 -0.385 0.000 1.208 433 P CA 0.092 62.541 63.100 -1.085 0.000 0.777 433 P CB 0.657 31.968 31.700 -0.649 0.000 0.875 434 I N 1.561 122.025 120.570 -0.177 0.000 2.315 434 I HA 0.137 4.319 4.170 0.019 0.000 0.291 434 I C 0.445 176.540 176.117 -0.038 0.000 1.006 434 I CA -0.982 60.280 61.300 -0.064 0.000 1.265 434 I CB 1.127 39.131 38.000 0.007 0.000 1.387 434 I HN 0.003 nan 8.210 nan 0.000 0.475 435 V N 6.699 126.592 119.914 -0.035 0.000 2.439 435 V HA 0.349 4.481 4.120 0.019 0.000 0.271 435 V C 1.141 177.235 176.094 -0.000 0.000 1.040 435 V CA 0.943 63.232 62.300 -0.018 0.000 1.002 435 V CB 0.214 32.025 31.823 -0.019 0.000 1.000 435 V HN 1.170 nan 8.190 nan 0.000 0.477 436 G N 4.165 112.970 108.800 0.009 0.000 2.184 436 G HA2 -0.056 3.915 3.960 0.019 0.000 0.206 436 G HA3 -0.056 3.915 3.960 0.019 0.000 0.206 436 G C 0.271 175.187 174.900 0.027 0.000 0.995 436 G CA -0.034 45.075 45.100 0.016 0.000 0.651 436 G HN 1.352 nan 8.290 nan 0.000 0.511 437 A N 0.358 123.199 122.820 0.034 0.000 2.301 437 A HA 0.726 5.057 4.320 0.019 0.000 0.312 437 A C 0.387 178.016 177.584 0.075 0.000 1.182 437 A CA 0.370 52.441 52.037 0.056 0.000 0.826 437 A CB 0.771 19.807 19.000 0.060 0.000 1.134 437 A HN 0.618 nan 8.150 nan 0.000 0.501 438 E N 1.129 121.389 120.200 0.101 0.000 2.418 438 E HA 0.206 4.567 4.350 0.019 0.000 0.261 438 E C -0.729 175.971 176.600 0.166 0.000 1.070 438 E CA 0.342 56.801 56.400 0.099 0.000 0.931 438 E CB 0.451 30.213 29.700 0.103 0.000 0.954 438 E HN 0.517 nan 8.360 nan 0.000 0.439 439 T N 4.041 118.646 114.554 0.086 0.000 2.809 439 T HA 0.376 4.737 4.350 0.019 0.000 0.284 439 T C -1.164 173.566 174.700 0.050 0.000 0.992 439 T CA -0.460 61.709 62.100 0.116 0.000 0.957 439 T CB 0.110 69.027 68.868 0.081 0.000 0.942 439 T HN 0.231 nan 8.240 nan 0.000 0.439 440 F N 2.595 122.465 119.950 -0.133 0.000 2.436 440 F HA 0.500 5.039 4.527 0.020 0.000 0.340 440 F C -0.321 175.383 175.800 -0.160 0.000 1.113 440 F CA -1.395 56.544 58.000 -0.102 0.000 1.022 440 F CB 0.872 39.734 39.000 -0.231 0.000 1.128 440 F HN 0.483 nan 8.300 nan 0.000 0.466 441 Y N 2.721 123.125 120.300 0.173 0.000 2.369 441 Y HA 0.512 5.074 4.550 0.020 0.000 0.337 441 Y C 0.006 176.020 175.900 0.190 0.000 0.961 441 Y CA -1.280 56.901 58.100 0.135 0.000 1.186 441 Y CB 1.331 39.836 38.460 0.075 0.000 1.139 441 Y HN 0.417 nan 8.280 nan 0.000 0.494 442 V N 0.783 120.851 119.914 0.255 0.000 2.547 442 V HA 0.694 4.826 4.120 0.019 0.000 0.299 442 V C -0.641 175.560 176.094 0.178 0.000 1.040 442 V CA -0.351 62.099 62.300 0.251 0.000 0.913 442 V CB 2.074 34.026 31.823 0.215 0.000 0.992 442 V HN 0.735 nan 8.190 nan 0.000 0.449 456 G N -0.009 108.811 108.800 0.033 0.000 2.488 456 G HA2 0.757 4.729 3.960 0.019 0.000 0.301 456 G HA3 0.757 4.729 3.960 0.019 0.000 0.301 456 G C -1.289 173.654 174.900 0.071 0.000 1.339 456 G CA 0.281 45.351 45.100 -0.050 0.000 0.803 456 G HN 1.746 nan 8.290 nan 0.000 0.482 457 Y N -2.405 117.962 120.300 0.111 0.000 2.677 457 Y HA 0.850 5.411 4.550 0.019 0.000 0.334 457 Y C -1.082 174.871 175.900 0.089 0.000 1.154 457 Y CA -2.038 56.151 58.100 0.148 0.000 1.070 457 Y CB 1.420 40.043 38.460 0.272 0.000 1.294 457 Y HN 0.666 nan 8.280 nan 0.000 0.475 458 V N 1.628 121.810 119.914 0.446 0.000 2.612 458 V HA 0.567 4.699 4.120 0.019 0.000 0.301 458 V C -0.254 175.922 176.094 0.137 0.000 1.059 458 V CA -0.226 62.215 62.300 0.235 0.000 0.886 458 V CB 1.463 33.342 31.823 0.093 0.000 1.007 458 V HN 1.132 nan 8.190 nan 0.000 0.426 459 T N 0.231 114.745 114.554 -0.068 0.000 2.927 459 T HA 0.262 4.624 4.350 0.019 0.000 0.281 459 T C 1.106 175.744 174.700 -0.104 0.000 0.998 459 T CA -0.302 61.623 62.100 -0.291 0.000 1.019 459 T CB 1.278 69.713 68.868 -0.722 0.000 1.061 459 T HN 0.720 nan 8.240 nan 0.000 0.518 460 N N 1.210 119.880 118.700 -0.050 0.000 2.550 460 N HA -0.098 4.654 4.740 0.019 0.000 0.186 460 N C 0.982 176.466 175.510 -0.042 0.000 1.110 460 N CA 0.332 53.378 53.050 -0.006 0.000 0.912 460 N CB -0.204 38.318 38.487 0.057 0.000 0.968 460 N HN 0.663 nan 8.380 nan 0.000 0.448 461 R N -0.298 120.153 120.500 -0.082 0.000 2.515 461 R HA 0.215 4.566 4.340 0.019 0.000 0.294 461 R C 0.586 176.852 176.300 -0.057 0.000 1.021 461 R CA 0.329 56.392 56.100 -0.061 0.000 1.081 461 R CB 0.203 30.465 30.300 -0.064 0.000 1.263 461 R HN 0.304 nan 8.270 nan 0.000 0.557 462 G N 1.786 110.551 108.800 -0.058 0.000 2.162 462 G HA2 -0.333 3.639 3.960 0.019 0.000 0.260 462 G HA3 -0.333 3.639 3.960 0.019 0.000 0.260 462 G C 0.068 174.955 174.900 -0.022 0.000 0.976 462 G CA -0.042 45.035 45.100 -0.038 0.000 0.655 462 G HN 0.284 nan 8.290 nan 0.000 0.533 463 R N 0.301 120.781 120.500 -0.032 0.000 2.531 463 R HA 0.586 4.937 4.340 0.019 0.000 0.273 463 R C 0.427 176.810 176.300 0.139 0.000 1.070 463 R CA 0.053 56.180 56.100 0.045 0.000 1.112 463 R CB 0.651 30.976 30.300 0.043 0.000 1.049 463 R HN 0.662 nan 8.270 nan 0.000 0.508 464 Q N 0.510 120.386 119.800 0.126 0.000 2.353 464 Q HA 0.413 4.765 4.340 0.019 0.000 0.275 464 Q C -1.396 174.443 176.000 -0.268 0.000 1.029 464 Q CA -1.145 54.639 55.803 -0.032 0.000 0.848 464 Q CB 2.251 30.965 28.738 -0.040 0.000 1.390 464 Q HN 0.381 nan 8.270 nan 0.000 0.401 465 K N 1.523 121.510 120.400 -0.689 0.000 3.262 465 K HA 0.272 4.604 4.320 0.019 0.000 0.166 465 K C -1.586 174.774 176.600 -0.399 0.000 1.091 465 K CA -0.209 55.734 56.287 -0.574 0.000 0.798 465 K CB 1.188 33.209 32.500 -0.798 0.000 0.953 465 K HN 0.558 nan 8.250 nan 0.000 0.588 466 V N 2.437 122.213 119.914 -0.230 0.000 2.450 466 V HA 0.164 4.296 4.120 0.019 0.000 0.281 466 V C -0.030 176.009 176.094 -0.091 0.000 1.019 466 V CA -0.192 62.028 62.300 -0.133 0.000 1.062 466 V CB 0.830 32.603 31.823 -0.082 0.000 0.979 466 V HN 0.180 nan 8.190 nan 0.000 0.477 467 V N 4.409 124.284 119.914 -0.065 0.000 2.588 467 V HA 0.469 4.600 4.120 0.019 0.000 0.304 467 V C 0.165 176.253 176.094 -0.009 0.000 1.042 467 V CA -0.638 61.642 62.300 -0.033 0.000 0.877 467 V CB 2.495 34.304 31.823 -0.024 0.000 0.996 467 V HN 0.935 nan 8.190 nan 0.000 0.425 468 T N 3.713 118.264 114.554 -0.004 0.000 2.738 468 T HA 0.728 5.090 4.350 0.019 0.000 0.298 468 T C -0.385 174.323 174.700 0.014 0.000 0.962 468 T CA -0.453 61.650 62.100 0.005 0.000 0.972 468 T CB 0.374 69.243 68.868 0.002 0.000 0.928 468 T HN 0.340 nan 8.240 nan 0.000 0.474 469 L N 3.398 124.634 121.223 0.022 0.000 2.439 469 L HA 0.650 5.001 4.340 0.019 0.000 0.259 469 L C 1.067 177.951 176.870 0.023 0.000 1.129 469 L CA -0.922 53.935 54.840 0.028 0.000 0.803 469 L CB 1.217 43.299 42.059 0.040 0.000 1.161 469 L HN 0.861 nan 8.230 nan 0.000 0.462 470 T N -3.715 110.853 114.554 0.023 0.000 2.924 470 T HA 0.320 4.682 4.350 0.019 0.000 0.291 470 T C -0.426 174.286 174.700 0.020 0.000 1.045 470 T CA -0.791 61.320 62.100 0.019 0.000 1.015 470 T CB 1.661 70.539 68.868 0.016 0.000 1.103 470 T HN 0.593 nan 8.240 nan 0.000 0.496 471 D N 0.304 120.714 120.400 0.016 0.000 2.697 471 D HA -0.140 4.512 4.640 0.019 0.000 0.235 471 D C 0.152 176.464 176.300 0.019 0.000 1.167 471 D CA 1.356 55.365 54.000 0.015 0.000 0.656 471 D CB -1.002 39.807 40.800 0.014 0.000 1.025 471 D HN 0.781 nan 8.370 nan 0.000 0.419 472 T N -1.427 113.139 114.554 0.020 0.000 2.889 472 T HA 0.628 4.990 4.350 0.019 0.000 0.278 472 T C -0.179 174.533 174.700 0.020 0.000 0.995 472 T CA -0.074 62.041 62.100 0.026 0.000 0.966 472 T CB 1.825 70.712 68.868 0.032 0.000 1.237 472 T HN 0.002 nan 8.240 nan 0.000 0.591 473 T N 2.222 116.790 114.554 0.022 0.000 2.971 473 T HA 0.293 4.654 4.350 0.019 0.000 0.304 473 T C 0.801 175.506 174.700 0.008 0.000 1.038 473 T CA -0.692 61.412 62.100 0.007 0.000 1.007 473 T CB 1.420 70.287 68.868 -0.001 0.000 1.055 473 T HN 0.608 nan 8.240 nan 0.000 0.451 474 N N 1.734 120.432 118.700 -0.004 0.000 2.165 474 N HA -0.202 4.550 4.740 0.019 0.000 0.198 474 N C 1.711 177.225 175.510 0.007 0.000 0.999 474 N CA 1.802 54.853 53.050 0.002 0.000 0.893 474 N CB 0.048 38.526 38.487 -0.014 0.000 1.025 474 N HN 0.650 nan 8.380 nan 0.000 0.456 475 Q N -0.299 119.473 119.800 -0.047 0.000 2.123 475 Q HA 0.052 4.403 4.340 0.019 0.000 0.196 475 Q C 1.866 177.957 176.000 0.153 0.000 0.958 475 Q CA 0.598 56.365 55.803 -0.059 0.000 0.841 475 Q CB 0.024 28.473 28.738 -0.482 0.000 0.915 475 Q HN 0.252 nan 8.270 nan 0.000 0.455 476 K N 0.313 120.774 120.400 0.101 0.000 2.362 476 K HA -0.098 4.233 4.320 0.019 0.000 0.200 476 K C 1.789 178.454 176.600 0.108 0.000 1.046 476 K CA 1.036 57.396 56.287 0.122 0.000 0.952 476 K CB 0.108 32.654 32.500 0.077 0.000 0.753 476 K HN 0.070 nan 8.250 nan 0.000 0.466 477 T N 0.480 115.092 114.554 0.096 0.000 2.978 477 T HA 0.001 4.362 4.350 0.019 0.000 0.262 477 T C 1.150 175.917 174.700 0.112 0.000 1.063 477 T CA 0.896 63.050 62.100 0.090 0.000 1.140 477 T CB 0.113 69.021 68.868 0.067 0.000 0.886 477 T HN 0.354 nan 8.240 nan 0.000 0.470 478 E N 0.252 120.534 120.200 0.137 0.000 2.274 478 E HA -0.013 4.348 4.350 0.019 0.000 0.194 478 E C 1.629 178.317 176.600 0.147 0.000 0.996 478 E CA 0.457 56.951 56.400 0.156 0.000 0.840 478 E CB 0.052 29.876 29.700 0.208 0.000 0.772 478 E HN 0.270 nan 8.360 nan 0.000 0.491 479 L N 0.611 121.922 121.223 0.145 0.000 2.354 479 L HA -0.015 4.336 4.340 0.019 0.000 0.212 479 L C 2.027 178.963 176.870 0.109 0.000 1.091 479 L CA 1.290 56.188 54.840 0.097 0.000 0.828 479 L CB -0.036 42.075 42.059 0.087 0.000 0.973 479 L HN 0.011 nan 8.230 nan 0.000 0.461 480 Q N -0.920 118.959 119.800 0.131 0.000 2.137 480 Q HA 0.010 4.362 4.340 0.019 0.000 0.198 480 Q C 2.183 178.292 176.000 0.182 0.000 0.960 480 Q CA 1.162 57.070 55.803 0.176 0.000 0.847 480 Q CB 0.029 28.851 28.738 0.140 0.000 0.915 480 Q HN 0.490 nan 8.270 nan 0.000 0.448 481 A N 1.501 124.410 122.820 0.148 0.000 1.849 481 A HA -0.219 4.112 4.320 0.019 0.000 0.217 481 A C 2.113 179.794 177.584 0.162 0.000 1.202 481 A CA 1.586 53.717 52.037 0.157 0.000 0.629 481 A CB -0.996 18.090 19.000 0.144 0.000 0.834 481 A HN 0.335 nan 8.150 nan 0.000 0.447 482 I N -1.899 118.744 120.570 0.122 0.000 2.194 482 I HA -0.312 3.869 4.170 0.019 0.000 0.246 482 I C 2.514 178.679 176.117 0.079 0.000 1.093 482 I CA 2.017 63.358 61.300 0.068 0.000 1.355 482 I CB -0.458 37.567 38.000 0.041 0.000 1.046 482 I HN 0.567 nan 8.210 nan 0.000 0.413 483 Y N 1.296 121.585 120.300 -0.017 0.000 2.181 483 Y HA -0.218 4.343 4.550 0.018 0.000 0.288 483 Y C 2.308 178.198 175.900 -0.016 0.000 1.146 483 Y CA 1.351 59.431 58.100 -0.033 0.000 1.164 483 Y CB -0.421 38.030 38.460 -0.014 0.000 0.982 483 Y HN 0.043 nan 8.280 nan 0.000 0.515 484 L N -0.583 120.623 121.223 -0.028 0.000 2.017 484 L HA -0.240 4.111 4.340 0.019 0.000 0.208 484 L C 2.634 179.490 176.870 -0.024 0.000 1.073 484 L CA 1.455 56.270 54.840 -0.042 0.000 0.745 484 L CB -0.851 41.304 42.059 0.160 0.000 0.894 484 L HN 0.355 nan 8.230 nan 0.000 0.432 485 A N -0.232 122.556 122.820 -0.053 0.000 1.908 485 A HA -0.226 4.106 4.320 0.019 0.000 0.218 485 A C 2.172 179.318 177.584 -0.731 0.000 1.181 485 A CA 1.525 53.235 52.037 -0.545 0.000 0.627 485 A CB -0.700 18.029 19.000 -0.451 0.000 0.818 485 A HN 0.436 nan 8.150 nan 0.000 0.445 486 L N -1.098 119.880 121.223 -0.408 0.000 2.093 486 L HA -0.241 4.110 4.340 0.019 0.000 0.208 486 L C 2.924 179.618 176.870 -0.293 0.000 1.085 486 L CA 1.499 56.141 54.840 -0.331 0.000 0.755 486 L CB -0.438 41.525 42.059 -0.160 0.000 0.904 486 L HN 0.511 nan 8.230 nan 0.000 0.435 487 Q N -0.354 119.260 119.800 -0.311 0.000 2.046 487 Q HA -0.187 4.164 4.340 0.019 0.000 0.200 487 Q C 1.513 177.426 176.000 -0.144 0.000 0.975 487 Q CA 1.500 57.154 55.803 -0.247 0.000 0.836 487 Q CB 0.007 28.540 28.738 -0.341 0.000 0.896 487 Q HN 0.424 nan 8.270 nan 0.000 0.428 488 D N 0.478 120.813 120.400 -0.107 0.000 2.347 488 D HA -0.036 4.615 4.640 0.019 0.000 0.215 488 D C 0.520 176.834 176.300 0.023 0.000 0.976 488 D CA 0.401 54.413 54.000 0.021 0.000 0.884 488 D CB 0.008 40.933 40.800 0.208 0.000 0.915 488 D HN 0.146 nan 8.370 nan 0.000 0.526 489 S N -0.738 114.868 115.700 -0.157 0.000 2.672 489 S HA 0.629 5.110 4.470 0.019 0.000 0.276 489 S C 0.870 175.442 174.600 -0.047 0.000 1.207 489 S CA -0.576 57.566 58.200 -0.096 0.000 1.002 489 S CB 2.037 64.956 63.200 -0.468 0.000 0.998 489 S HN 0.070 nan 8.310 nan 0.000 0.542 490 G N 0.058 108.866 108.800 0.013 0.000 2.546 490 G HA2 0.366 4.337 3.960 0.019 0.000 0.239 490 G HA3 0.366 4.337 3.960 0.019 0.000 0.239 490 G C 0.454 175.349 174.900 -0.008 0.000 1.476 490 G CA -0.628 44.478 45.100 0.009 0.000 1.064 490 G HN 0.567 nan 8.290 nan 0.000 0.561 491 L N -0.165 121.062 121.223 0.007 0.000 2.291 491 L HA 0.199 4.550 4.340 0.019 0.000 0.214 491 L C 1.186 178.063 176.870 0.012 0.000 1.120 491 L CA 1.129 55.974 54.840 0.008 0.000 0.799 491 L CB -0.412 41.657 42.059 0.017 0.000 0.925 491 L HN 0.447 nan 8.230 nan 0.000 0.446 492 E N -1.492 118.719 120.200 0.019 0.000 2.248 492 E HA 0.589 4.950 4.350 0.019 0.000 0.267 492 E C -1.417 175.202 176.600 0.032 0.000 0.877 492 E CA -0.405 56.013 56.400 0.029 0.000 0.759 492 E CB 3.107 32.829 29.700 0.036 0.000 1.182 492 E HN -0.210 nan 8.360 nan 0.000 0.418 493 V N 2.833 122.765 119.914 0.031 0.000 3.000 493 V HA 0.345 4.476 4.120 0.019 0.000 0.300 493 V C -1.894 174.240 176.094 0.066 0.000 1.251 493 V CA -0.734 61.586 62.300 0.034 0.000 0.972 493 V CB 2.377 34.143 31.823 -0.095 0.000 1.065 493 V HN 0.651 nan 8.190 nan 0.000 0.431 494 N N 5.674 124.442 118.700 0.113 0.000 2.392 494 N HA 0.647 5.399 4.740 0.019 0.000 0.283 494 N C -1.087 174.469 175.510 0.077 0.000 1.003 494 N CA -0.170 52.971 53.050 0.151 0.000 0.892 494 N CB 2.136 40.724 38.487 0.168 0.000 1.193 494 N HN 0.621 nan 8.380 nan 0.000 0.487 495 I N 1.338 121.908 120.570 0.001 0.000 2.509 495 I HA 0.427 4.608 4.170 0.019 0.000 0.293 495 I C -0.430 175.617 176.117 -0.117 0.000 1.020 495 I CA -1.070 60.192 61.300 -0.064 0.000 1.088 495 I CB 2.217 40.158 38.000 -0.098 0.000 1.267 495 I HN -0.030 nan 8.210 nan 0.000 0.430 496 V N 3.799 123.609 119.914 -0.174 0.000 2.444 496 V HA 0.527 4.658 4.120 0.019 0.000 0.294 496 V C -0.145 175.909 176.094 -0.067 0.000 1.022 496 V CA -0.422 61.765 62.300 -0.189 0.000 0.850 496 V CB 1.724 33.273 31.823 -0.456 0.000 0.992 496 V HN 0.831 nan 8.190 nan 0.000 0.426 497 T N 1.148 115.696 114.554 -0.009 0.000 2.916 497 T HA 0.433 4.794 4.350 0.019 0.000 0.292 497 T C 0.179 174.896 174.700 0.028 0.000 1.055 497 T CA -0.342 61.789 62.100 0.052 0.000 1.009 497 T CB 1.862 70.789 68.868 0.098 0.000 1.118 497 T HN 0.845 nan 8.240 nan 0.000 0.497 498 D N 1.138 121.565 120.400 0.045 0.000 2.349 498 D HA 0.154 4.805 4.640 0.019 0.000 0.214 498 D C 0.603 177.080 176.300 0.295 0.000 1.063 498 D CA -0.098 53.883 54.000 -0.033 0.000 0.847 498 D CB 0.071 40.860 40.800 -0.017 0.000 0.933 498 D HN 0.261 nan 8.370 nan 0.000 0.513 499 S N 0.237 116.142 115.700 0.342 0.000 2.439 499 S HA 0.101 4.582 4.470 0.019 0.000 0.282 499 S C 1.035 175.851 174.600 0.358 0.000 1.170 499 S CA -0.471 57.939 58.200 0.349 0.000 1.054 499 S CB 0.959 64.310 63.200 0.251 0.000 0.956 499 S HN 0.117 nan 8.310 nan 0.000 0.490 500 Q N 3.519 123.463 119.800 0.240 0.000 2.123 500 Q HA -0.123 4.229 4.340 0.019 0.000 0.199 500 Q C 1.220 177.224 176.000 0.007 0.000 0.966 500 Q CA 1.263 57.008 55.803 -0.097 0.000 0.845 500 Q CB -0.258 28.348 28.738 -0.220 0.000 0.907 500 Q HN 0.964 nan 8.270 nan 0.000 0.439 501 Y N 1.710 122.010 120.300 0.000 0.000 2.049 501 Y HA -0.290 4.272 4.550 0.020 0.000 0.277 501 Y C 2.344 178.256 175.900 0.019 0.000 1.143 501 Y CA 1.693 59.800 58.100 0.012 0.000 1.115 501 Y CB -0.694 37.788 38.460 0.036 0.000 0.975 501 Y HN 0.055 nan 8.280 nan 0.000 0.487 502 A N 1.085 123.795 122.820 -0.183 0.000 1.940 502 A HA -0.170 4.161 4.320 0.019 0.000 0.219 502 A C 2.381 179.862 177.584 -0.171 0.000 1.176 502 A CA 1.627 53.502 52.037 -0.271 0.000 0.631 502 A CB -1.227 17.741 19.000 -0.053 0.000 0.814 502 A HN 0.633 nan 8.150 nan 0.000 0.446 503 L N -0.144 121.039 121.223 -0.066 0.000 2.012 503 L HA -0.171 4.180 4.340 0.019 0.000 0.210 503 L C 2.378 179.201 176.870 -0.078 0.000 1.073 503 L CA 2.529 57.339 54.840 -0.050 0.000 0.748 503 L CB -1.524 40.514 42.059 -0.036 0.000 0.891 503 L HN 0.416 nan 8.230 nan 0.000 0.431 504 G N 0.097 108.834 108.800 -0.105 0.000 2.421 504 G HA2 -0.263 3.708 3.960 0.019 0.000 0.216 504 G HA3 -0.263 3.708 3.960 0.019 0.000 0.216 504 G C 1.658 176.545 174.900 -0.022 0.000 1.171 504 G CA 0.992 46.057 45.100 -0.059 0.000 0.775 504 G HN 0.447 nan 8.290 nan 0.000 0.543 505 I N 0.168 120.649 120.570 -0.148 0.000 2.179 505 I HA -0.143 4.038 4.170 0.019 0.000 0.242 505 I C 2.549 178.619 176.117 -0.079 0.000 1.088 505 I CA 0.753 61.946 61.300 -0.179 0.000 1.357 505 I CB -0.192 37.536 38.000 -0.452 0.000 1.051 505 I HN 0.082 nan 8.210 nan 0.000 0.409 506 I N 0.262 120.790 120.570 -0.071 0.000 2.252 506 I HA -0.269 3.912 4.170 0.019 0.000 0.245 506 I C 2.567 178.747 176.117 0.105 0.000 1.102 506 I CA 1.463 62.777 61.300 0.023 0.000 1.385 506 I CB -0.630 37.365 38.000 -0.007 0.000 1.064 506 I HN 0.208 nan 8.210 nan 0.000 0.414 507 Q N 0.005 119.845 119.800 0.067 0.000 2.181 507 Q HA -0.193 4.159 4.340 0.019 0.000 0.205 507 Q C 2.220 178.316 176.000 0.159 0.000 0.980 507 Q CA 1.528 57.386 55.803 0.092 0.000 0.862 507 Q CB -0.184 28.585 28.738 0.052 0.000 0.905 507 Q HN 0.593 nan 8.270 nan 0.000 0.429 508 A N 0.136 123.087 122.820 0.217 0.000 2.121 508 A HA -0.145 4.186 4.320 0.019 0.000 0.218 508 A C 0.469 178.253 177.584 0.333 0.000 1.154 508 A CA 0.648 52.887 52.037 0.338 0.000 0.679 508 A CB -0.054 19.174 19.000 0.379 0.000 0.795 508 A HN 0.510 nan 8.150 nan 0.000 0.458 509 Q N -1.419 118.521 119.800 0.235 0.000 2.460 509 Q HA -0.125 4.226 4.340 0.019 0.000 0.311 509 Q C -2.255 173.809 176.000 0.107 0.000 1.396 509 Q CA 0.370 56.272 55.803 0.164 0.000 0.838 509 Q CB -1.797 26.942 28.738 0.001 0.000 1.140 509 Q HN 0.639 nan 8.270 nan 0.000 0.415 510 P HA -0.030 nan 4.420 nan 0.000 0.271 510 P C 0.026 177.428 177.300 0.170 0.000 1.244 510 P CA 0.633 63.801 63.100 0.113 0.000 0.793 510 P CB 0.577 32.347 31.700 0.117 0.000 0.984 511 D N -2.559 117.887 120.400 0.076 0.000 2.525 511 D HA 0.063 4.714 4.640 0.019 0.000 0.231 511 D C 0.017 176.277 176.300 -0.066 0.000 1.216 511 D CA 0.004 54.016 54.000 0.020 0.000 0.813 511 D CB 0.053 40.846 40.800 -0.012 0.000 1.108 511 D HN 0.526 nan 8.370 nan 0.000 0.524 512 Q N -1.090 118.710 119.800 0.000 0.000 2.352 512 Q HA 0.632 4.984 4.340 0.019 0.000 0.270 512 Q C -1.539 174.501 176.000 0.067 0.000 1.006 512 Q CA -0.870 54.934 55.803 0.001 0.000 0.880 512 Q CB 2.017 30.757 28.738 0.003 0.000 1.392 512 Q HN -0.042 nan 8.270 nan 0.000 0.401 513 S N 0.281 116.021 115.700 0.066 0.000 2.625 513 S HA 0.296 4.778 4.470 0.019 0.000 0.271 513 S C -0.096 174.543 174.600 0.064 0.000 1.161 513 S CA -0.437 57.848 58.200 0.142 0.000 0.820 513 S CB 1.815 65.209 63.200 0.323 0.000 1.137 513 S HN 0.650 nan 8.310 nan 0.000 0.470 514 E N 1.054 121.280 120.200 0.044 0.000 2.107 514 E HA 0.032 4.393 4.350 0.019 0.000 0.191 514 E C 0.786 177.404 176.600 0.029 0.000 0.982 514 E CA 0.521 56.928 56.400 0.012 0.000 0.809 514 E CB -0.404 29.284 29.700 -0.020 0.000 0.756 514 E HN 0.426 nan 8.360 nan 0.000 0.459 515 S N 1.011 116.754 115.700 0.072 0.000 2.531 515 S HA -0.008 4.474 4.470 0.019 0.000 0.279 515 S C 1.075 175.677 174.600 0.004 0.000 1.305 515 S CA -0.285 57.950 58.200 0.057 0.000 1.058 515 S CB 1.153 64.421 63.200 0.113 0.000 0.899 515 S HN 0.071 nan 8.310 nan 0.000 0.493 516 E N 3.720 123.906 120.200 -0.024 0.000 2.107 516 E HA -0.092 4.270 4.350 0.019 0.000 0.191 516 E C 1.770 178.294 176.600 -0.126 0.000 0.982 516 E CA 0.645 57.008 56.400 -0.063 0.000 0.809 516 E CB -0.047 29.621 29.700 -0.053 0.000 0.756 516 E HN 0.804 nan 8.360 nan 0.000 0.459 517 L N 0.538 121.685 121.223 -0.127 0.000 1.971 517 L HA -0.238 4.114 4.340 0.019 0.000 0.215 517 L C 2.559 179.272 176.870 -0.262 0.000 1.072 517 L CA 1.299 56.002 54.840 -0.228 0.000 0.758 517 L CB -0.392 41.593 42.059 -0.123 0.000 0.889 517 L HN 0.059 nan 8.230 nan 0.000 0.433 518 V N 0.291 120.119 119.914 -0.143 0.000 2.324 518 V HA -0.360 3.772 4.120 0.019 0.000 0.250 518 V C 2.229 178.231 176.094 -0.155 0.000 1.060 518 V CA 2.141 64.353 62.300 -0.145 0.000 1.042 518 V CB -0.871 30.896 31.823 -0.092 0.000 0.650 518 V HN 0.540 nan 8.190 nan 0.000 0.450 519 N N -0.308 118.315 118.700 -0.127 0.000 2.205 519 N HA -0.205 4.547 4.740 0.019 0.000 0.186 519 N C 1.954 177.360 175.510 -0.174 0.000 1.015 519 N CA 1.439 54.412 53.050 -0.128 0.000 0.862 519 N CB -0.156 38.272 38.487 -0.099 0.000 0.986 519 N HN 0.630 nan 8.380 nan 0.000 0.429 520 Q N 0.495 120.135 119.800 -0.266 0.000 2.049 520 Q HA 0.069 4.420 4.340 0.019 0.000 0.198 520 Q C 2.208 178.063 176.000 -0.241 0.000 0.971 520 Q CA 0.759 56.364 55.803 -0.332 0.000 0.833 520 Q CB 0.046 28.323 28.738 -0.768 0.000 0.896 520 Q HN 0.352 nan 8.270 nan 0.000 0.434 521 I N 0.579 120.960 120.570 -0.315 0.000 2.208 521 I HA -0.308 3.873 4.170 0.019 0.000 0.245 521 I C 2.065 178.088 176.117 -0.156 0.000 1.097 521 I CA 1.182 62.408 61.300 -0.122 0.000 1.363 521 I CB -0.318 37.596 38.000 -0.144 0.000 1.051 521 I HN 0.253 nan 8.210 nan 0.000 0.413 522 I N 0.307 120.764 120.570 -0.188 0.000 2.286 522 I HA -0.256 3.925 4.170 0.019 0.000 0.248 522 I C 2.499 178.492 176.117 -0.207 0.000 1.115 522 I CA 1.258 62.422 61.300 -0.228 0.000 1.392 522 I CB -0.345 37.573 38.000 -0.137 0.000 1.065 522 I HN 0.186 nan 8.210 nan 0.000 0.418 523 E N 0.567 120.684 120.200 -0.138 0.000 2.072 523 E HA -0.193 4.168 4.350 0.019 0.000 0.191 523 E C 2.240 178.802 176.600 -0.064 0.000 0.985 523 E CA 1.036 57.380 56.400 -0.093 0.000 0.801 523 E CB 0.006 29.670 29.700 -0.061 0.000 0.750 523 E HN 0.298 nan 8.360 nan 0.000 0.452 524 Q N -0.051 119.724 119.800 -0.042 0.000 2.030 524 Q HA -0.134 4.217 4.340 0.019 0.000 0.204 524 Q C 2.430 178.366 176.000 -0.107 0.000 0.986 524 Q CA 1.180 56.963 55.803 -0.033 0.000 0.843 524 Q CB -0.430 28.327 28.738 0.032 0.000 0.904 524 Q HN 0.362 nan 8.270 nan 0.000 0.420 525 L N 0.129 121.217 121.223 -0.226 0.000 2.131 525 L HA -0.174 4.177 4.340 0.019 0.000 0.210 525 L C 2.388 179.119 176.870 -0.231 0.000 1.092 525 L CA 0.771 55.397 54.840 -0.357 0.000 0.759 525 L CB -0.436 41.111 42.059 -0.853 0.000 0.903 525 L HN 0.171 nan 8.230 nan 0.000 0.435 526 I N -0.424 120.058 120.570 -0.147 0.000 2.394 526 I HA -0.262 3.920 4.170 0.019 0.000 0.251 526 I C 2.404 178.575 176.117 0.089 0.000 1.136 526 I CA 1.153 62.506 61.300 0.089 0.000 1.425 526 I CB -0.122 37.971 38.000 0.155 0.000 1.079 526 I HN 0.143 nan 8.210 nan 0.000 0.425 527 K N 0.699 121.117 120.400 0.029 0.000 2.116 527 K HA -0.006 4.326 4.320 0.019 0.000 0.203 527 K C 0.691 177.306 176.600 0.026 0.000 1.052 527 K CA 0.620 56.927 56.287 0.033 0.000 0.952 527 K CB 0.066 32.573 32.500 0.013 0.000 0.729 527 K HN -0.021 nan 8.250 nan 0.000 0.446 528 K N 0.766 121.168 120.400 0.004 0.000 2.344 528 K HA -0.091 4.240 4.320 0.019 0.000 0.260 528 K C 1.016 177.639 176.600 0.039 0.000 0.988 528 K CA 0.441 56.733 56.287 0.007 0.000 0.909 528 K CB 0.687 33.178 32.500 -0.015 0.000 0.968 528 K HN -0.010 nan 8.250 nan 0.000 0.505 529 E N 0.966 121.188 120.200 0.037 0.000 2.201 529 E HA 0.039 4.400 4.350 0.019 0.000 0.193 529 E C -0.575 176.060 176.600 0.059 0.000 0.957 529 E CA 1.149 57.577 56.400 0.048 0.000 0.858 529 E CB 0.525 30.248 29.700 0.037 0.000 0.816 529 E HN 0.360 nan 8.360 nan 0.000 0.475 530 K N -0.058 120.374 120.400 0.054 0.000 2.581 530 K HA 0.435 4.766 4.320 0.019 0.000 0.249 530 K C -1.771 174.871 176.600 0.070 0.000 0.966 530 K CA -0.580 55.749 56.287 0.070 0.000 0.811 530 K CB 2.787 35.325 32.500 0.063 0.000 1.223 530 K HN -0.181 nan 8.250 nan 0.000 0.438 531 V N 3.137 123.107 119.914 0.093 0.000 2.588 531 V HA 0.393 4.525 4.120 0.019 0.000 0.304 531 V C -1.457 174.724 176.094 0.145 0.000 1.042 531 V CA -0.909 61.439 62.300 0.079 0.000 0.877 531 V CB 1.619 33.455 31.823 0.022 0.000 0.996 531 V HN 0.694 nan 8.190 nan 0.000 0.425 532 Y N 5.143 125.449 120.300 0.011 0.000 2.338 532 Y HA 0.702 5.263 4.550 0.018 0.000 0.333 532 Y C -1.109 174.796 175.900 0.008 0.000 0.968 532 Y CA -0.817 57.294 58.100 0.020 0.000 1.123 532 Y CB 1.552 40.022 38.460 0.017 0.000 1.165 532 Y HN 0.599 nan 8.280 nan 0.000 0.452 533 L N 5.976 126.826 121.223 -0.622 0.000 2.329 533 L HA 0.946 5.297 4.340 0.019 0.000 0.279 533 L C -1.038 175.453 176.870 -0.631 0.000 1.014 533 L CA -0.643 53.926 54.840 -0.451 0.000 0.814 533 L CB 1.378 43.313 42.059 -0.207 0.000 1.257 533 L HN 0.873 nan 8.230 nan 0.000 0.424 534 A N 3.763 126.380 122.820 -0.338 0.000 2.515 534 A HA 0.631 4.962 4.320 0.019 0.000 0.296 534 A C -2.218 175.403 177.584 0.061 0.000 1.094 534 A CA -0.505 51.446 52.037 -0.143 0.000 0.718 534 A CB 1.543 20.516 19.000 -0.045 0.000 1.307 534 A HN 0.796 nan 8.150 nan 0.000 0.408 535 W N 1.355 122.620 121.300 -0.058 0.000 2.761 535 W HA 0.647 5.318 4.660 0.019 0.000 0.340 535 W C -1.188 175.341 176.519 0.016 0.000 1.072 535 W CA -0.489 56.844 57.345 -0.019 0.000 1.215 535 W CB 1.933 31.380 29.460 -0.020 0.000 1.420 535 W HN 1.061 nan 8.180 nan 0.000 0.519 536 V N 2.990 122.306 119.914 -0.995 0.000 3.012 536 V HA 0.691 4.822 4.120 0.019 0.000 0.307 536 V C -2.763 172.494 176.094 -1.394 0.000 1.166 536 V CA -2.586 59.081 62.300 -1.055 0.000 0.974 536 V CB 1.383 32.978 31.823 -0.380 0.000 1.040 536 V HN 0.550 nan 8.190 nan 0.000 0.428 537 P HA 0.483 nan 4.420 nan 0.000 0.296 537 P C -0.045 177.115 177.300 -0.234 0.000 1.295 537 P CA 0.307 63.082 63.100 -0.541 0.000 0.754 537 P CB 0.315 31.852 31.700 -0.272 0.000 1.311 538 A N -1.302 121.477 122.820 -0.068 0.000 2.257 538 A HA 0.554 4.886 4.320 0.019 0.000 0.290 538 A C -0.160 177.470 177.584 0.077 0.000 1.201 538 A CA 0.336 52.380 52.037 0.012 0.000 0.863 538 A CB -0.211 18.815 19.000 0.044 0.000 1.256 538 A HN 0.787 nan 8.150 nan 0.000 0.506 545 N N 0.000 118.654 118.700 -0.077 0.000 1.763 545 N HA 0.000 4.751 4.740 0.019 0.000 0.220 545 N CA 0.000 53.055 53.050 0.008 0.000 0.885 545 N CB 0.000 38.506 38.487 0.032 0.000 1.341 545 N HN 0.000 nan 8.380 nan 0.000 0.667