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 2fg7_1_E DATA FIRST_RESID -1 DATA SEQUENCE SHMKKFTCVQ DIGDLKSALA ESFEIKKDRF KYVELGRNKT LLMIFFNSSL DATA SEQUENCE RTRLSTQKAA LNLGMNVIVL DINQGAWKLE TERGVIMDGD KPEHLLEAIP DATA SEQUENCE VMGCYCDIIG VRSFARFENR EYDYNEVIIN QFIQHSGRPV FSMEAATRHP DATA SEQUENCE LQSFADLITI EEYKKTARPK VVMTWAPHPR PLPQAVPNSF AEWMNATDYE DATA SEQUENCE FVITHPEGYE LDPKFVGNAR VEYDQMKAFE GADFIYAKNW AAYLGDNYGQ DATA SEQUENCE ILSTDRNWTV GDRQMAVTNN AYFMHCLPVR RNMIVTDDVI ESPQSIVIPE DATA SEQUENCE AANREISATV VLKRLLENLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.587 174.600 -0.022 0.000 1.055 -1 S CA 0.000 58.131 58.200 -0.115 0.000 1.107 -1 S CB 0.000 63.104 63.200 -0.159 0.000 0.593 0 H N 1.473 120.531 119.070 -0.020 0.000 2.500 0 H HA 0.430 4.986 4.556 -0.001 0.000 0.243 0 H C -0.209 175.117 175.328 -0.003 0.000 1.318 0 H CA -0.561 55.480 56.048 -0.012 0.000 1.077 0 H CB 0.426 30.180 29.762 -0.012 0.000 1.748 0 H HN 0.384 nan 8.280 nan 0.000 0.556 1 M N 1.939 121.605 119.600 0.110 0.000 2.227 1 M HA 0.031 4.510 4.480 -0.001 0.000 0.349 1 M C 0.238 176.585 176.300 0.078 0.000 1.443 1 M CA 0.593 55.942 55.300 0.082 0.000 1.110 1 M CB 0.293 32.927 32.600 0.056 0.000 1.773 1 M HN 0.342 nan 8.290 nan 0.000 0.463 2 K N 3.690 124.137 120.400 0.078 0.000 2.367 2 K HA 0.168 4.488 4.320 -0.001 0.000 0.195 2 K C -0.368 176.287 176.600 0.092 0.000 1.060 2 K CA 0.282 56.609 56.287 0.066 0.000 1.022 2 K CB 0.601 33.125 32.500 0.040 0.000 0.894 2 K HN 0.648 nan 8.250 nan 0.000 0.540 3 K N -0.581 119.894 120.400 0.125 0.000 2.617 3 K HA 0.318 4.638 4.320 -0.001 0.000 0.293 3 K C -1.807 174.957 176.600 0.273 0.000 1.034 3 K CA -0.928 55.461 56.287 0.171 0.000 0.884 3 K CB 1.106 33.668 32.500 0.102 0.000 1.541 3 K HN -0.132 nan 8.250 nan 0.000 0.409 4 F N 1.870 121.892 119.950 0.120 0.000 3.034 4 F HA 0.330 4.857 4.527 -0.001 0.000 0.371 4 F C -0.231 175.657 175.800 0.146 0.000 1.233 4 F CA -0.055 58.023 58.000 0.130 0.000 1.134 4 F CB 1.681 40.774 39.000 0.156 0.000 1.495 4 F HN 0.817 nan 8.300 nan 0.000 0.563 5 T N -0.775 113.611 114.554 -0.280 0.000 3.048 5 T HA 0.277 4.626 4.350 -0.001 0.000 0.254 5 T C 0.452 174.998 174.700 -0.257 0.000 0.942 5 T CA 0.698 62.658 62.100 -0.234 0.000 0.931 5 T CB -0.315 68.495 68.868 -0.097 0.000 1.220 5 T HN 0.593 nan 8.240 nan 0.000 0.503 6 C N -0.044 119.103 119.300 -0.254 0.000 2.779 6 C HA 0.866 5.326 4.460 -0.001 0.000 0.314 6 C C 1.814 176.648 174.990 -0.261 0.000 1.231 6 C CA -0.494 58.421 59.018 -0.171 0.000 1.652 6 C CB 1.125 28.792 27.740 -0.120 0.000 2.198 6 C HN 0.110 nan 8.230 nan 0.000 0.483 7 V N 1.482 121.171 119.914 -0.376 0.000 2.546 7 V HA -0.240 3.879 4.120 -0.001 0.000 0.254 7 V C 2.382 178.117 176.094 -0.598 0.000 1.076 7 V CA 2.657 64.412 62.300 -0.910 0.000 1.087 7 V CB -0.691 30.158 31.823 -1.623 0.000 0.674 7 V HN 1.012 nan 8.190 nan 0.000 0.470 8 Q N 0.096 119.671 119.800 -0.375 0.000 2.096 8 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 8 Q C 1.973 177.868 176.000 -0.174 0.000 0.982 8 Q CA 2.223 57.871 55.803 -0.259 0.000 0.850 8 Q CB -0.554 28.073 28.738 -0.186 0.000 0.901 8 Q HN 0.686 nan 8.270 nan 0.000 0.422 9 D N -0.269 120.066 120.400 -0.110 0.000 2.228 9 D HA -0.165 4.475 4.640 -0.001 0.000 0.203 9 D C 1.544 177.884 176.300 0.066 0.000 0.988 9 D CA 0.797 54.811 54.000 0.023 0.000 0.864 9 D CB -0.061 40.818 40.800 0.131 0.000 0.928 9 D HN 0.219 nan 8.370 nan 0.000 0.469 10 I N -0.160 120.414 120.570 0.007 0.000 2.761 10 I HA 0.035 4.204 4.170 -0.001 0.000 0.261 10 I C 1.453 177.486 176.117 -0.139 0.000 1.198 10 I CA 0.980 62.244 61.300 -0.060 0.000 1.482 10 I CB -0.286 37.605 38.000 -0.181 0.000 1.100 10 I HN 0.142 nan 8.210 nan 0.000 0.445 11 G N 0.351 109.054 108.800 -0.160 0.000 2.512 11 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.254 11 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.254 11 G C -0.210 174.589 174.900 -0.169 0.000 1.199 11 G CA 0.089 45.101 45.100 -0.147 0.000 0.941 11 G HN 0.501 nan 8.290 nan 0.000 0.569 12 D N 1.105 121.428 120.400 -0.128 0.000 2.412 12 D HA 0.315 4.954 4.640 -0.001 0.000 0.257 12 D C 1.953 178.190 176.300 -0.106 0.000 1.217 12 D CA 0.318 54.250 54.000 -0.112 0.000 0.897 12 D CB 0.229 40.982 40.800 -0.079 0.000 1.132 12 D HN 0.470 nan 8.370 nan 0.000 0.493 13 L N 3.835 124.985 121.223 -0.122 0.000 2.083 13 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 13 L C 2.447 179.320 176.870 0.005 0.000 1.083 13 L CA 1.055 55.848 54.840 -0.079 0.000 0.752 13 L CB -0.466 41.532 42.059 -0.103 0.000 0.899 13 L HN 0.577 nan 8.230 nan 0.000 0.433 14 K N 0.640 121.037 120.400 -0.006 0.000 2.001 14 K HA -0.239 4.080 4.320 -0.001 0.000 0.214 14 K C 2.290 178.923 176.600 0.054 0.000 1.050 14 K CA 2.273 58.578 56.287 0.030 0.000 0.934 14 K CB -0.114 32.389 32.500 0.006 0.000 0.718 14 K HN 0.359 nan 8.250 nan 0.000 0.443 15 S N 0.044 115.758 115.700 0.024 0.000 2.423 15 S HA -0.024 4.445 4.470 -0.001 0.000 0.231 15 S C 2.136 176.768 174.600 0.053 0.000 1.014 15 S CA 0.751 58.969 58.200 0.030 0.000 0.965 15 S CB -0.171 63.027 63.200 -0.003 0.000 0.785 15 S HN 0.439 nan 8.310 nan 0.000 0.495 16 A N 2.283 125.134 122.820 0.051 0.000 1.873 16 A HA 0.180 4.499 4.320 -0.001 0.000 0.215 16 A C 2.276 180.000 177.584 0.234 0.000 1.186 16 A CA 1.295 53.394 52.037 0.103 0.000 0.616 16 A CB -0.878 18.117 19.000 -0.008 0.000 0.823 16 A HN 0.516 nan 8.150 nan 0.000 0.442 17 L N -0.687 120.679 121.223 0.239 0.000 2.131 17 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 17 L C 3.068 180.119 176.870 0.302 0.000 1.092 17 L CA 0.847 55.857 54.840 0.284 0.000 0.759 17 L CB -0.550 41.707 42.059 0.331 0.000 0.903 17 L HN 0.457 nan 8.230 nan 0.000 0.435 18 A N 0.242 123.194 122.820 0.221 0.000 1.851 18 A HA -0.247 4.072 4.320 -0.001 0.000 0.216 18 A C 2.181 179.861 177.584 0.160 0.000 1.195 18 A CA 1.861 54.013 52.037 0.193 0.000 0.622 18 A CB -0.538 18.529 19.000 0.111 0.000 0.831 18 A HN 0.442 nan 8.150 nan 0.000 0.444 19 E N -0.085 120.172 120.200 0.097 0.000 2.085 19 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 19 E C 2.361 178.963 176.600 0.003 0.000 0.994 19 E CA 1.254 57.680 56.400 0.043 0.000 0.801 19 E CB -0.213 29.484 29.700 -0.006 0.000 0.743 19 E HN 0.586 nan 8.360 nan 0.000 0.453 20 S N 0.711 116.390 115.700 -0.035 0.000 2.359 20 S HA -0.180 4.289 4.470 -0.001 0.000 0.222 20 S C 1.702 176.134 174.600 -0.279 0.000 1.038 20 S CA 1.397 59.446 58.200 -0.251 0.000 1.051 20 S CB -0.441 62.505 63.200 -0.424 0.000 0.944 20 S HN 0.226 nan 8.310 nan 0.000 0.433 21 F N 1.588 121.529 119.950 -0.016 0.000 2.365 21 F HA -0.010 4.517 4.527 -0.001 0.000 0.300 21 F C 2.476 178.277 175.800 0.002 0.000 1.090 21 F CA 0.861 58.855 58.000 -0.010 0.000 1.408 21 F CB -0.251 38.750 39.000 0.002 0.000 1.060 21 F HN 0.282 nan 8.300 nan 0.000 0.534 22 E N 1.066 121.362 120.200 0.161 0.000 2.051 22 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 22 E C 2.221 178.879 176.600 0.096 0.000 0.991 22 E CA 1.494 57.971 56.400 0.128 0.000 0.799 22 E CB -0.189 29.590 29.700 0.132 0.000 0.748 22 E HN 0.423 nan 8.360 nan 0.000 0.449 23 I N 0.674 121.274 120.570 0.050 0.000 2.439 23 I HA -0.209 3.960 4.170 -0.001 0.000 0.251 23 I C 2.403 178.504 176.117 -0.026 0.000 1.139 23 I CA 0.771 62.080 61.300 0.015 0.000 1.438 23 I CB -0.165 37.804 38.000 -0.052 0.000 1.085 23 I HN 0.045 nan 8.210 nan 0.000 0.427 24 K N 0.829 121.205 120.400 -0.039 0.000 2.097 24 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 24 K C 2.130 178.744 176.600 0.023 0.000 1.049 24 K CA 1.318 57.586 56.287 -0.032 0.000 0.933 24 K CB -0.049 32.440 32.500 -0.018 0.000 0.717 24 K HN 0.034 nan 8.250 nan 0.000 0.442 25 K N 0.826 121.261 120.400 0.057 0.000 2.031 25 K HA -0.063 4.257 4.320 -0.001 0.000 0.205 25 K C 0.565 177.196 176.600 0.051 0.000 1.049 25 K CA 1.072 57.395 56.287 0.060 0.000 0.939 25 K CB 0.147 32.690 32.500 0.072 0.000 0.717 25 K HN -0.043 nan 8.250 nan 0.000 0.438 26 D N -0.368 120.063 120.400 0.051 0.000 2.456 26 D HA 0.116 4.755 4.640 -0.001 0.000 0.287 26 D C 0.503 176.833 176.300 0.049 0.000 1.186 26 D CA -0.152 53.880 54.000 0.053 0.000 0.916 26 D CB 0.472 41.293 40.800 0.035 0.000 1.029 26 D HN -0.177 nan 8.370 nan 0.000 0.498 27 R N 1.214 121.734 120.500 0.033 0.000 2.113 27 R HA -0.129 4.210 4.340 -0.001 0.000 0.244 27 R C 0.924 177.083 176.300 -0.235 0.000 1.142 27 R CA 1.591 57.626 56.100 -0.109 0.000 0.953 27 R CB -0.387 29.830 30.300 -0.138 0.000 0.860 27 R HN 0.282 nan 8.270 nan 0.000 0.438 28 F N 0.243 120.203 119.950 0.016 0.000 2.730 28 F HA 0.300 4.826 4.527 -0.001 0.000 0.295 28 F C 1.519 177.309 175.800 -0.016 0.000 1.143 28 F CA -0.280 57.729 58.000 0.015 0.000 1.367 28 F CB 0.089 39.090 39.000 0.003 0.000 0.970 28 F HN 0.001 nan 8.300 nan 0.000 0.514 29 K N -0.011 120.425 120.400 0.059 0.000 2.152 29 K HA -0.172 4.147 4.320 -0.001 0.000 0.206 29 K C 0.355 176.736 176.600 -0.365 0.000 1.048 29 K CA 1.655 57.838 56.287 -0.173 0.000 0.933 29 K CB -0.046 32.280 32.500 -0.290 0.000 0.721 29 K HN 0.353 nan 8.250 nan 0.000 0.447 30 Y N -0.702 119.614 120.300 0.026 0.000 2.720 30 Y HA 0.122 4.672 4.550 -0.001 0.000 0.277 30 Y C 0.997 176.919 175.900 0.035 0.000 1.144 30 Y CA -0.455 57.657 58.100 0.018 0.000 1.221 30 Y CB 0.686 39.139 38.460 -0.010 0.000 1.163 30 Y HN -0.159 nan 8.280 nan 0.000 0.537 31 V N 0.324 120.338 119.914 0.168 0.000 2.828 31 V HA -0.209 3.910 4.120 -0.001 0.000 0.260 31 V C 1.738 177.909 176.094 0.128 0.000 1.101 31 V CA 2.030 64.440 62.300 0.184 0.000 1.123 31 V CB 0.107 32.092 31.823 0.269 0.000 0.704 31 V HN 0.404 nan 8.190 nan 0.000 0.493 32 E N -0.759 119.503 120.200 0.103 0.000 2.340 32 E HA 0.002 4.352 4.350 -0.001 0.000 0.194 32 E C 1.847 178.497 176.600 0.084 0.000 0.996 32 E CA 0.465 56.912 56.400 0.078 0.000 0.869 32 E CB 0.060 29.791 29.700 0.052 0.000 0.835 32 E HN 0.558 nan 8.360 nan 0.000 0.493 33 L N 0.693 121.984 121.223 0.114 0.000 2.012 33 L HA -0.061 4.279 4.340 -0.001 0.000 0.210 33 L C 1.854 178.766 176.870 0.069 0.000 1.073 33 L CA 2.305 57.207 54.840 0.103 0.000 0.748 33 L CB -0.797 41.343 42.059 0.134 0.000 0.891 33 L HN 0.114 nan 8.230 nan 0.000 0.431 34 G N -0.825 108.014 108.800 0.066 0.000 3.181 34 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.219 34 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.219 34 G C 0.726 175.659 174.900 0.055 0.000 1.182 34 G CA -0.359 44.773 45.100 0.052 0.000 0.791 34 G HN 0.339 nan 8.290 nan 0.000 0.537 35 R N 0.813 121.347 120.500 0.057 0.000 2.583 35 R HA -0.064 4.276 4.340 -0.001 0.000 0.274 35 R C 0.269 176.598 176.300 0.047 0.000 0.998 35 R CA 0.175 56.306 56.100 0.052 0.000 1.081 35 R CB 0.051 30.380 30.300 0.048 0.000 0.940 35 R HN 0.207 nan 8.270 nan 0.000 0.413 36 N N 1.677 120.405 118.700 0.046 0.000 2.725 36 N HA -0.173 4.567 4.740 -0.001 0.000 0.249 36 N C -1.403 174.136 175.510 0.049 0.000 1.103 36 N CA 1.317 54.394 53.050 0.045 0.000 0.707 36 N CB -0.414 38.097 38.487 0.040 0.000 1.043 36 N HN 0.531 nan 8.380 nan 0.000 0.553 37 K N 0.501 120.933 120.400 0.053 0.000 2.292 37 K HA 0.478 4.797 4.320 -0.001 0.000 0.257 37 K C -0.025 176.615 176.600 0.066 0.000 0.940 37 K CA -0.288 56.034 56.287 0.058 0.000 0.811 37 K CB 1.759 34.291 32.500 0.054 0.000 1.120 37 K HN -0.106 nan 8.250 nan 0.000 0.428 38 T N 2.675 117.273 114.554 0.075 0.000 2.779 38 T HA 0.356 4.705 4.350 -0.001 0.000 0.280 38 T C -0.496 174.263 174.700 0.099 0.000 0.987 38 T CA -0.639 61.512 62.100 0.084 0.000 0.966 38 T CB 0.892 69.813 68.868 0.089 0.000 0.933 38 T HN 0.311 nan 8.240 nan 0.000 0.442 39 L N 4.593 125.880 121.223 0.106 0.000 2.295 39 L HA 0.745 5.084 4.340 -0.001 0.000 0.285 39 L C -1.166 175.775 176.870 0.118 0.000 1.035 39 L CA -0.835 54.084 54.840 0.132 0.000 0.806 39 L CB 0.986 43.139 42.059 0.157 0.000 1.214 39 L HN 0.534 nan 8.230 nan 0.000 0.426 40 L N 6.090 127.375 121.223 0.103 0.000 2.298 40 L HA 0.578 4.917 4.340 -0.001 0.000 0.284 40 L C -0.917 175.962 176.870 0.014 0.000 1.013 40 L CA -0.192 54.695 54.840 0.078 0.000 0.824 40 L CB 1.208 43.322 42.059 0.091 0.000 1.221 40 L HN 0.711 nan 8.230 nan 0.000 0.418 41 M N 6.578 126.196 119.600 0.029 0.000 2.088 41 M HA 0.467 4.947 4.480 -0.001 0.000 0.346 41 M C -0.869 175.377 176.300 -0.090 0.000 1.111 41 M CA -0.046 55.216 55.300 -0.062 0.000 1.017 41 M CB 1.147 33.820 32.600 0.122 0.000 1.568 41 M HN 0.455 nan 8.290 nan 0.000 0.445 42 I N 3.355 123.745 120.570 -0.300 0.000 2.378 42 I HA 0.429 4.598 4.170 -0.001 0.000 0.291 42 I C -1.142 174.705 176.117 -0.449 0.000 0.992 42 I CA -0.458 60.698 61.300 -0.240 0.000 1.154 42 I CB 1.191 39.095 38.000 -0.159 0.000 1.315 42 I HN 0.505 nan 8.210 nan 0.000 0.448 43 F N 5.295 125.142 119.950 -0.172 0.000 2.427 43 F HA 0.387 4.914 4.527 -0.001 0.000 0.348 43 F C 0.326 175.992 175.800 -0.224 0.000 1.125 43 F CA -0.346 57.570 58.000 -0.141 0.000 0.989 43 F CB 1.152 40.079 39.000 -0.122 0.000 1.165 43 F HN 0.337 nan 8.300 nan 0.000 0.442 44 F N 1.033 120.967 119.950 -0.027 0.000 2.746 44 F HA 0.211 4.738 4.527 -0.001 0.000 0.297 44 F C 0.395 176.118 175.800 -0.128 0.000 1.113 44 F CA -0.073 57.897 58.000 -0.049 0.000 1.367 44 F CB -0.016 38.952 39.000 -0.054 0.000 1.111 44 F HN 0.354 nan 8.300 nan 0.000 0.590 45 N N -2.071 116.600 118.700 -0.048 0.000 2.697 45 N HA 0.347 5.087 4.740 -0.001 0.000 0.272 45 N C -0.759 174.626 175.510 -0.209 0.000 1.381 45 N CA -0.689 52.158 53.050 -0.338 0.000 0.797 45 N CB 1.138 38.935 38.487 -1.149 0.000 1.523 45 N HN -0.319 nan 8.380 nan 0.000 0.518 46 S N -0.163 115.381 115.700 -0.260 0.000 2.589 46 S HA 0.562 5.032 4.470 -0.001 0.000 0.265 46 S C -0.292 174.260 174.600 -0.080 0.000 1.342 46 S CA -0.260 57.850 58.200 -0.150 0.000 1.005 46 S CB 0.526 63.668 63.200 -0.097 0.000 0.909 46 S HN 0.513 nan 8.310 nan 0.000 0.555 47 S N 0.278 115.916 115.700 -0.102 0.000 2.604 47 S HA 0.344 4.813 4.470 -0.001 0.000 0.296 47 S C -0.403 174.147 174.600 -0.083 0.000 1.097 47 S CA -0.760 57.427 58.200 -0.021 0.000 0.883 47 S CB 0.423 63.685 63.200 0.103 0.000 1.081 47 S HN 0.621 nan 8.310 nan 0.000 0.448 48 L N 3.589 124.814 121.223 0.005 0.000 2.777 48 L HA 0.408 4.748 4.340 -0.001 0.000 0.172 48 L C 2.258 179.144 176.870 0.028 0.000 1.179 48 L CA 0.121 54.955 54.840 -0.010 0.000 0.859 48 L CB -0.316 41.747 42.059 0.007 0.000 1.269 48 L HN 0.803 nan 8.230 nan 0.000 0.511 49 R N -0.305 120.236 120.500 0.068 0.000 2.082 49 R HA -0.153 4.186 4.340 -0.001 0.000 0.234 49 R C 2.033 178.405 176.300 0.120 0.000 1.136 49 R CA 2.461 58.609 56.100 0.080 0.000 0.935 49 R CB -0.786 29.566 30.300 0.085 0.000 0.842 49 R HN 0.349 nan 8.270 nan 0.000 0.430 50 T N 0.636 115.308 114.554 0.198 0.000 2.720 50 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 50 T C 1.741 176.628 174.700 0.312 0.000 1.037 50 T CA 1.644 63.913 62.100 0.281 0.000 1.144 50 T CB -0.249 68.850 68.868 0.385 0.000 0.864 50 T HN 0.310 nan 8.240 nan 0.000 0.444 51 R N 0.235 120.885 120.500 0.251 0.000 2.080 51 R HA -0.107 4.232 4.340 -0.001 0.000 0.236 51 R C 2.151 178.512 176.300 0.101 0.000 1.137 51 R CA 1.431 57.606 56.100 0.125 0.000 0.943 51 R CB -0.414 29.729 30.300 -0.262 0.000 0.846 51 R HN 0.218 nan 8.270 nan 0.000 0.431 52 L N 0.826 122.081 121.223 0.052 0.000 2.007 52 L HA -0.100 4.240 4.340 -0.001 0.000 0.205 52 L C 2.736 179.638 176.870 0.054 0.000 1.073 52 L CA 2.206 57.070 54.840 0.040 0.000 0.744 52 L CB -1.061 41.008 42.059 0.018 0.000 0.898 52 L HN 0.406 nan 8.230 nan 0.000 0.435 53 S N -2.023 113.710 115.700 0.055 0.000 2.387 53 S HA -0.228 4.241 4.470 -0.001 0.000 0.230 53 S C 1.902 176.523 174.600 0.036 0.000 1.035 53 S CA 1.897 60.116 58.200 0.030 0.000 1.014 53 S CB -1.050 62.161 63.200 0.019 0.000 0.836 53 S HN 0.472 nan 8.310 nan 0.000 0.466 54 T N 2.170 116.782 114.554 0.097 0.000 2.904 54 T HA -0.031 4.318 4.350 -0.001 0.000 0.267 54 T C 2.011 176.769 174.700 0.096 0.000 1.059 54 T CA 1.435 63.603 62.100 0.113 0.000 1.137 54 T CB -0.313 68.700 68.868 0.241 0.000 0.879 54 T HN 0.574 nan 8.240 nan 0.000 0.467 55 Q N 0.688 120.550 119.800 0.103 0.000 2.046 55 Q HA -0.084 4.256 4.340 -0.001 0.000 0.200 55 Q C 2.393 178.423 176.000 0.049 0.000 0.975 55 Q CA 1.162 57.016 55.803 0.085 0.000 0.836 55 Q CB -0.189 28.597 28.738 0.080 0.000 0.896 55 Q HN 0.221 nan 8.270 nan 0.000 0.428 56 K N 1.361 121.779 120.400 0.031 0.000 2.032 56 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 56 K C 1.878 178.452 176.600 -0.043 0.000 1.048 56 K CA 1.665 57.956 56.287 0.006 0.000 0.927 56 K CB -0.654 31.843 32.500 -0.006 0.000 0.712 56 K HN 0.195 nan 8.250 nan 0.000 0.441 57 A N 0.564 123.349 122.820 -0.060 0.000 1.892 57 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 57 A C 2.423 179.956 177.584 -0.086 0.000 1.188 57 A CA 2.533 54.504 52.037 -0.110 0.000 0.631 57 A CB -1.306 17.620 19.000 -0.124 0.000 0.822 57 A HN 0.470 nan 8.150 nan 0.000 0.447 58 A N -0.503 122.299 122.820 -0.030 0.000 1.940 58 A HA -0.063 4.257 4.320 -0.001 0.000 0.219 58 A C 2.169 179.764 177.584 0.019 0.000 1.176 58 A CA 1.577 53.615 52.037 0.002 0.000 0.631 58 A CB -0.596 18.434 19.000 0.050 0.000 0.814 58 A HN 0.498 nan 8.150 nan 0.000 0.446 59 L N -0.334 120.907 121.223 0.030 0.000 2.093 59 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 59 L C 2.027 178.950 176.870 0.089 0.000 1.085 59 L CA 0.928 55.816 54.840 0.081 0.000 0.755 59 L CB -0.629 41.498 42.059 0.113 0.000 0.904 59 L HN 0.351 nan 8.230 nan 0.000 0.435 60 N N 0.406 119.054 118.700 -0.087 0.000 2.289 60 N HA -0.120 4.620 4.740 -0.001 0.000 0.184 60 N C 1.478 176.949 175.510 -0.065 0.000 1.016 60 N CA 1.157 54.013 53.050 -0.325 0.000 0.872 60 N CB -0.101 38.098 38.487 -0.481 0.000 0.973 60 N HN 0.367 nan 8.380 nan 0.000 0.433 61 L N -0.478 120.741 121.223 -0.007 0.000 2.685 61 L HA 0.261 4.600 4.340 -0.001 0.000 0.233 61 L C 1.029 177.945 176.870 0.077 0.000 1.173 61 L CA -0.192 54.674 54.840 0.043 0.000 0.961 61 L CB -0.204 41.855 42.059 0.000 0.000 1.217 61 L HN 0.081 nan 8.230 nan 0.000 0.478 62 G N 0.460 109.324 108.800 0.105 0.000 2.203 62 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.263 62 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.263 62 G C 0.389 175.334 174.900 0.076 0.000 1.012 62 G CA 0.421 45.582 45.100 0.102 0.000 0.749 62 G HN 0.312 nan 8.290 nan 0.000 0.512 63 M N -0.585 119.055 119.600 0.067 0.000 2.159 63 M HA 0.268 4.748 4.480 -0.001 0.000 0.293 63 M C 0.811 177.149 176.300 0.064 0.000 1.186 63 M CA -0.108 55.229 55.300 0.062 0.000 1.073 63 M CB 0.479 33.113 32.600 0.057 0.000 1.419 63 M HN 0.224 nan 8.290 nan 0.000 0.490 64 N N -0.678 118.061 118.700 0.065 0.000 2.443 64 N HA 0.532 5.272 4.740 -0.001 0.000 0.295 64 N C -1.640 173.914 175.510 0.072 0.000 1.076 64 N CA -0.656 52.432 53.050 0.064 0.000 0.919 64 N CB 1.908 40.431 38.487 0.060 0.000 1.176 64 N HN 0.197 nan 8.380 nan 0.000 0.487 65 V N 2.951 122.907 119.914 0.070 0.000 2.588 65 V HA 0.482 4.601 4.120 -0.001 0.000 0.304 65 V C -0.415 175.723 176.094 0.074 0.000 1.042 65 V CA -0.627 61.721 62.300 0.081 0.000 0.877 65 V CB 1.605 33.479 31.823 0.085 0.000 0.996 65 V HN 0.569 nan 8.190 nan 0.000 0.425 66 I N 4.535 125.155 120.570 0.083 0.000 2.439 66 I HA 0.442 4.611 4.170 -0.001 0.000 0.285 66 I C -0.729 175.441 176.117 0.089 0.000 1.021 66 I CA -0.780 60.564 61.300 0.073 0.000 1.091 66 I CB 2.126 40.169 38.000 0.071 0.000 1.242 66 I HN 0.284 nan 8.210 nan 0.000 0.439 67 V N 6.990 126.956 119.914 0.086 0.000 2.370 67 V HA 0.360 4.480 4.120 -0.001 0.000 0.279 67 V C -0.146 176.003 176.094 0.092 0.000 1.029 67 V CA -0.525 61.850 62.300 0.125 0.000 0.870 67 V CB 1.921 33.815 31.823 0.118 0.000 0.984 67 V HN 0.455 nan 8.190 nan 0.000 0.451 68 L N 4.917 126.208 121.223 0.113 0.000 2.325 68 L HA 0.602 4.942 4.340 -0.001 0.000 0.281 68 L C -0.849 176.058 176.870 0.063 0.000 1.004 68 L CA -0.083 54.790 54.840 0.054 0.000 0.823 68 L CB 1.846 43.925 42.059 0.033 0.000 1.236 68 L HN 0.609 nan 8.230 nan 0.000 0.415 69 D N 6.816 127.215 120.400 -0.001 0.000 2.473 69 D HA 0.332 4.972 4.640 -0.001 0.000 0.226 69 D C 0.645 176.880 176.300 -0.108 0.000 1.089 69 D CA -0.252 53.728 54.000 -0.033 0.000 0.883 69 D CB 1.575 42.335 40.800 -0.068 0.000 1.029 69 D HN 0.477 nan 8.370 nan 0.000 0.517 70 I N 1.946 122.399 120.570 -0.195 0.000 3.292 70 I HA -0.177 3.993 4.170 -0.001 0.000 0.279 70 I C 1.524 177.547 176.117 -0.156 0.000 1.268 70 I CA 0.063 61.228 61.300 -0.224 0.000 1.342 70 I CB 0.265 38.002 38.000 -0.439 0.000 1.366 70 I HN 0.469 nan 8.210 nan 0.000 0.615 71 N N 0.779 119.413 118.700 -0.110 0.000 2.319 71 N HA -0.248 4.492 4.740 -0.001 0.000 0.215 71 N C 1.056 176.512 175.510 -0.089 0.000 1.091 71 N CA 1.924 54.932 53.050 -0.070 0.000 2.762 71 N CB -0.774 37.683 38.487 -0.051 0.000 0.823 71 N HN 0.666 nan 8.380 nan 0.000 0.453 72 Q N 0.061 119.798 119.800 -0.105 0.000 1.879 72 Q HA 0.147 4.487 4.340 -0.001 0.000 0.214 72 Q C 2.250 178.162 176.000 -0.147 0.000 0.973 72 Q CA 1.553 57.291 55.803 -0.109 0.000 0.856 72 Q CB -0.451 28.229 28.738 -0.098 0.000 0.907 72 Q HN 0.502 nan 8.270 nan 0.000 0.436 73 G N 0.156 108.864 108.800 -0.153 0.000 2.551 73 G HA2 0.213 4.173 3.960 -0.001 0.000 0.216 73 G HA3 0.213 4.173 3.960 -0.001 0.000 0.216 73 G C 0.411 175.130 174.900 -0.302 0.000 1.137 73 G CA 0.595 45.578 45.100 -0.196 0.000 0.798 73 G HN 0.376 nan 8.290 nan 0.000 0.536 74 A N -0.623 122.034 122.820 -0.271 0.000 2.378 74 A HA 0.696 5.015 4.320 -0.001 0.000 0.293 74 A C -1.057 176.290 177.584 -0.394 0.000 1.250 74 A CA -0.916 50.915 52.037 -0.344 0.000 0.915 74 A CB 0.472 19.396 19.000 -0.125 0.000 1.402 74 A HN 0.262 nan 8.150 nan 0.000 0.502 75 W N 0.513 121.812 121.300 -0.001 0.000 2.376 75 W HA 0.494 5.154 4.660 -0.001 0.000 0.322 75 W C 0.253 176.777 176.519 0.008 0.000 1.160 75 W CA -0.475 56.874 57.345 0.007 0.000 1.218 75 W CB 0.739 30.210 29.460 0.017 0.000 1.205 75 W HN 0.476 nan 8.180 nan 0.000 0.559 76 K N 2.782 123.326 120.400 0.239 0.000 2.489 76 K HA 0.120 4.440 4.320 -0.001 0.000 0.278 76 K C -0.357 176.334 176.600 0.153 0.000 1.000 76 K CA -0.037 56.340 56.287 0.150 0.000 1.012 76 K CB 0.312 32.884 32.500 0.120 0.000 0.903 76 K HN 0.331 nan 8.250 nan 0.000 0.485 77 L N 2.574 123.876 121.223 0.132 0.000 2.307 77 L HA 0.219 4.559 4.340 -0.001 0.000 0.282 77 L C 0.152 177.033 176.870 0.019 0.000 1.051 77 L CA -0.807 54.093 54.840 0.099 0.000 0.804 77 L CB 1.242 43.399 42.059 0.163 0.000 1.197 77 L HN 0.549 nan 8.230 nan 0.000 0.431 78 E N 1.215 121.357 120.200 -0.097 0.000 2.194 78 E HA 0.082 4.432 4.350 -0.001 0.000 0.284 78 E C 0.493 176.821 176.600 -0.453 0.000 1.035 78 E CA -0.024 56.261 56.400 -0.193 0.000 0.836 78 E CB 1.583 31.202 29.700 -0.135 0.000 1.070 78 E HN 0.553 nan 8.360 nan 0.000 0.401 79 T N 2.606 117.032 114.554 -0.213 0.000 3.009 79 T HA 0.016 4.366 4.350 -0.001 0.000 0.258 79 T C 0.302 174.971 174.700 -0.051 0.000 1.063 79 T CA 0.359 62.377 62.100 -0.137 0.000 1.139 79 T CB -0.046 68.829 68.868 0.012 0.000 0.890 79 T HN 0.546 nan 8.240 nan 0.000 0.471 80 E N 1.469 121.664 120.200 -0.009 0.000 2.313 80 E HA 0.244 4.594 4.350 -0.001 0.000 0.276 80 E C -0.154 176.627 176.600 0.302 0.000 1.031 80 E CA -0.649 55.816 56.400 0.108 0.000 0.857 80 E CB 0.723 30.450 29.700 0.045 0.000 1.040 80 E HN 0.241 nan 8.360 nan 0.000 0.408 81 R N 2.311 122.959 120.500 0.246 0.000 2.457 81 R HA 0.341 4.680 4.340 -0.001 0.000 0.284 81 R C 0.472 176.817 176.300 0.075 0.000 1.024 81 R CA 0.831 57.033 56.100 0.172 0.000 1.025 81 R CB 0.795 31.140 30.300 0.076 0.000 1.063 81 R HN 0.806 nan 8.270 nan 0.000 0.493 82 G N 1.679 110.488 108.800 0.016 0.000 2.159 82 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.256 82 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.256 82 G C -0.148 174.767 174.900 0.025 0.000 0.977 82 G CA 0.195 45.299 45.100 0.007 0.000 0.652 82 G HN 0.470 nan 8.290 nan 0.000 0.531 83 V N 1.084 121.031 119.914 0.055 0.000 3.036 83 V HA 0.534 4.654 4.120 -0.001 0.000 0.308 83 V C 1.194 177.313 176.094 0.042 0.000 1.070 83 V CA -0.654 61.677 62.300 0.051 0.000 1.056 83 V CB 1.748 33.612 31.823 0.069 0.000 1.084 83 V HN 0.258 nan 8.190 nan 0.000 0.471 84 I N 2.938 123.526 120.570 0.030 0.000 2.291 84 I HA 0.222 4.391 4.170 -0.001 0.000 0.292 84 I C 0.509 176.643 176.117 0.029 0.000 1.064 84 I CA 0.017 61.330 61.300 0.022 0.000 1.269 84 I CB 0.855 38.862 38.000 0.013 0.000 1.418 84 I HN 0.562 nan 8.210 nan 0.000 0.485 85 M N 6.147 125.769 119.600 0.036 0.000 3.588 85 M HA -0.018 4.461 4.480 -0.001 0.000 0.197 85 M C -0.159 176.153 176.300 0.020 0.000 1.623 85 M CA 0.230 55.553 55.300 0.039 0.000 1.718 85 M CB -0.839 31.793 32.600 0.052 0.000 1.187 85 M HN 0.451 nan 8.290 nan 0.000 0.541 86 D N -0.684 119.727 120.400 0.018 0.000 3.035 86 D HA 0.407 5.046 4.640 -0.001 0.000 0.290 86 D C 0.435 176.744 176.300 0.016 0.000 1.360 86 D CA -0.294 53.713 54.000 0.012 0.000 0.862 86 D CB 0.294 41.099 40.800 0.009 0.000 1.078 86 D HN 0.420 nan 8.370 nan 0.000 0.487 87 G N -0.175 108.637 108.800 0.021 0.000 3.008 87 G HA2 0.090 4.050 3.960 -0.001 0.000 0.148 87 G HA3 0.090 4.050 3.960 -0.001 0.000 0.148 87 G C 0.199 175.120 174.900 0.035 0.000 1.184 87 G CA -0.174 44.941 45.100 0.026 0.000 1.087 87 G HN 0.066 nan 8.290 nan 0.000 0.602 88 D N 0.205 120.628 120.400 0.039 0.000 2.157 88 D HA -0.066 4.573 4.640 -0.001 0.000 0.191 88 D C 0.608 176.947 176.300 0.065 0.000 1.004 88 D CA 1.169 55.199 54.000 0.050 0.000 0.854 88 D CB 0.057 40.883 40.800 0.044 0.000 0.936 88 D HN 0.081 nan 8.370 nan 0.000 0.446 89 K N -0.318 120.116 120.400 0.057 0.000 2.248 89 K HA 0.262 4.581 4.320 -0.001 0.000 0.281 89 K C -1.833 174.799 176.600 0.053 0.000 1.054 89 K CA -1.593 54.734 56.287 0.066 0.000 0.903 89 K CB 1.637 34.165 32.500 0.046 0.000 1.077 89 K HN 0.037 nan 8.250 nan 0.000 0.474 90 P HA 0.020 nan 4.420 nan 0.000 0.234 90 P C -0.618 176.638 177.300 -0.072 0.000 1.175 90 P CA 0.290 63.367 63.100 -0.037 0.000 0.801 90 P CB 0.620 32.278 31.700 -0.071 0.000 0.891 91 E N -0.934 119.279 120.200 0.022 0.000 2.312 91 E HA 0.236 4.586 4.350 -0.001 0.000 0.267 91 E C -1.127 175.526 176.600 0.089 0.000 0.894 91 E CA -0.838 55.587 56.400 0.041 0.000 0.773 91 E CB 1.227 30.974 29.700 0.078 0.000 1.241 91 E HN -0.044 nan 8.360 nan 0.000 0.432 92 H N 3.966 123.051 119.070 0.025 0.000 2.463 92 H HA 0.151 4.707 4.556 -0.001 0.000 0.332 92 H C 0.775 176.129 175.328 0.044 0.000 1.127 92 H CA -0.423 55.646 56.048 0.035 0.000 1.238 92 H CB 1.865 31.633 29.762 0.009 0.000 1.478 92 H HN 0.603 nan 8.280 nan 0.000 0.499 93 L N 4.800 125.970 121.223 -0.088 0.000 2.129 93 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 93 L C 2.039 179.004 176.870 0.159 0.000 1.087 93 L CA 1.463 56.338 54.840 0.059 0.000 0.757 93 L CB -0.584 41.477 42.059 0.002 0.000 0.896 93 L HN 0.721 nan 8.230 nan 0.000 0.434 94 L N -0.829 120.650 121.223 0.428 0.000 2.265 94 L HA -0.162 4.177 4.340 -0.001 0.000 0.215 94 L C 2.298 179.178 176.870 0.016 0.000 1.117 94 L CA 0.872 55.796 54.840 0.140 0.000 0.782 94 L CB -0.544 41.508 42.059 -0.011 0.000 0.914 94 L HN 0.377 nan 8.230 nan 0.000 0.441 95 E N -0.259 119.979 120.200 0.062 0.000 2.162 95 E HA 0.040 4.390 4.350 -0.001 0.000 0.193 95 E C 2.311 178.921 176.600 0.017 0.000 0.953 95 E CA 0.963 57.371 56.400 0.013 0.000 0.849 95 E CB -0.400 29.315 29.700 0.025 0.000 0.810 95 E HN 0.299 nan 8.360 nan 0.000 0.470 96 A N 2.317 125.166 122.820 0.049 0.000 1.873 96 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 96 A C 2.388 179.964 177.584 -0.012 0.000 1.193 96 A CA 1.662 53.731 52.037 0.054 0.000 0.629 96 A CB -0.947 18.108 19.000 0.093 0.000 0.826 96 A HN 0.179 nan 8.150 nan 0.000 0.447 97 I N -0.101 120.395 120.570 -0.122 0.000 2.099 97 I HA -0.206 3.964 4.170 -0.001 0.000 0.239 97 I C -0.435 175.610 176.117 -0.120 0.000 1.066 97 I CA 1.826 62.961 61.300 -0.275 0.000 1.324 97 I CB -1.440 36.269 38.000 -0.486 0.000 1.037 97 I HN 0.221 nan 8.210 nan 0.000 0.401 98 P HA -0.135 nan 4.420 nan 0.000 0.215 98 P C 1.983 179.227 177.300 -0.094 0.000 1.157 98 P CA 1.295 64.359 63.100 -0.061 0.000 0.868 98 P CB -0.015 31.649 31.700 -0.059 0.000 0.788 99 V N -0.840 119.027 119.914 -0.078 0.000 2.287 99 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 99 V C 2.397 178.382 176.094 -0.182 0.000 1.053 99 V CA 2.129 64.363 62.300 -0.110 0.000 1.027 99 V CB -1.266 30.570 31.823 0.022 0.000 0.646 99 V HN 0.106 nan 8.190 nan 0.000 0.447 100 M N 0.439 120.024 119.600 -0.026 0.000 2.159 100 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 100 M C 2.286 178.572 176.300 -0.023 0.000 1.063 100 M CA 2.086 57.418 55.300 0.054 0.000 1.110 100 M CB -0.943 31.741 32.600 0.140 0.000 1.374 100 M HN 0.472 nan 8.290 nan 0.000 0.411 101 G N -0.572 108.197 108.800 -0.052 0.000 2.448 101 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 101 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 101 G C 1.451 176.271 174.900 -0.133 0.000 1.127 101 G CA 0.799 45.873 45.100 -0.044 0.000 0.766 101 G HN 0.478 nan 8.290 nan 0.000 0.552 102 C N -0.577 118.521 119.300 -0.337 0.000 2.419 102 C HA 0.019 4.479 4.460 -0.001 0.000 0.281 102 C C 1.821 176.566 174.990 -0.408 0.000 1.336 102 C CA 0.371 59.097 59.018 -0.486 0.000 1.770 102 C CB -1.015 26.225 27.740 -0.833 0.000 1.929 102 C HN 0.627 nan 8.230 nan 0.000 0.509 103 Y N -0.414 119.914 120.300 0.048 0.000 2.555 103 Y HA 0.300 4.850 4.550 -0.000 0.000 0.259 103 Y C 1.119 177.049 175.900 0.049 0.000 1.179 103 Y CA -0.793 57.335 58.100 0.046 0.000 1.230 103 Y CB -0.259 38.228 38.460 0.045 0.000 1.146 103 Y HN 0.479 nan 8.280 nan 0.000 0.526 104 C N -3.218 116.163 119.300 0.134 0.000 3.318 104 C HA 0.492 4.952 4.460 -0.001 0.000 0.329 104 C C 0.456 175.496 174.990 0.083 0.000 1.449 104 C CA -0.685 58.402 59.018 0.115 0.000 1.397 104 C CB 1.877 29.687 27.740 0.117 0.000 1.810 104 C HN 0.251 nan 8.230 nan 0.000 0.449 105 D N -0.100 120.351 120.400 0.085 0.000 2.463 105 D HA 0.322 4.962 4.640 -0.001 0.000 0.237 105 D C 0.141 176.493 176.300 0.087 0.000 1.013 105 D CA 1.073 55.118 54.000 0.075 0.000 0.910 105 D CB 0.697 41.539 40.800 0.071 0.000 1.080 105 D HN 0.576 nan 8.370 nan 0.000 0.498 106 I N 1.195 121.831 120.570 0.110 0.000 2.730 106 I HA 0.362 4.532 4.170 -0.001 0.000 0.298 106 I C -0.755 175.443 176.117 0.135 0.000 1.089 106 I CA -0.730 60.658 61.300 0.147 0.000 1.041 106 I CB 3.144 41.261 38.000 0.195 0.000 1.235 106 I HN -0.313 nan 8.210 nan 0.000 0.423 107 I N 3.102 123.725 120.570 0.090 0.000 2.509 107 I HA 0.547 4.717 4.170 -0.001 0.000 0.293 107 I C 0.070 175.927 176.117 -0.432 0.000 1.020 107 I CA -0.489 60.775 61.300 -0.059 0.000 1.088 107 I CB 2.219 40.226 38.000 0.011 0.000 1.267 107 I HN 0.651 nan 8.210 nan 0.000 0.430 108 G N 5.324 113.707 108.800 -0.694 0.000 2.478 108 G HA2 0.661 4.621 3.960 -0.001 0.000 0.317 108 G HA3 0.661 4.621 3.960 -0.001 0.000 0.317 108 G C -1.118 173.295 174.900 -0.811 0.000 1.259 108 G CA -0.330 43.923 45.100 -1.412 0.000 0.933 108 G HN 0.332 nan 8.290 nan 0.000 0.478 109 V N 1.569 121.033 119.914 -0.750 0.000 2.735 109 V HA 0.668 4.787 4.120 -0.001 0.000 0.310 109 V C -0.111 175.698 176.094 -0.476 0.000 1.061 109 V CA -1.155 60.766 62.300 -0.631 0.000 0.913 109 V CB 2.062 33.394 31.823 -0.820 0.000 1.005 109 V HN 0.851 nan 8.190 nan 0.000 0.428 110 R N 1.927 122.198 120.500 -0.383 0.000 2.451 110 R HA 0.682 5.022 4.340 -0.001 0.000 0.307 110 R C -0.987 175.296 176.300 -0.029 0.000 0.965 110 R CA -0.073 55.907 56.100 -0.201 0.000 0.865 110 R CB 1.578 31.751 30.300 -0.212 0.000 1.174 110 R HN 0.786 nan 8.270 nan 0.000 0.455 111 S N 5.782 121.463 115.700 -0.032 0.000 2.461 111 S HA 0.354 4.824 4.470 -0.001 0.000 0.216 111 S C -0.900 173.757 174.600 0.095 0.000 1.201 111 S CA -0.666 57.494 58.200 -0.066 0.000 1.171 111 S CB 0.079 63.061 63.200 -0.363 0.000 1.169 111 S HN 0.443 nan 8.310 nan 0.000 0.456 112 F N 2.785 122.661 119.950 -0.122 0.000 2.589 112 F HA 0.371 4.897 4.527 -0.001 0.000 0.352 112 F C 1.409 177.110 175.800 -0.165 0.000 1.168 112 F CA -0.705 57.203 58.000 -0.153 0.000 1.353 112 F CB 0.074 38.995 39.000 -0.132 0.000 1.116 112 F HN 0.648 nan 8.300 nan 0.000 0.608 113 A N 4.219 126.987 122.820 -0.086 0.000 2.531 113 A HA 0.121 4.440 4.320 -0.001 0.000 0.236 113 A C 1.292 178.810 177.584 -0.110 0.000 1.062 113 A CA -0.213 51.762 52.037 -0.103 0.000 0.760 113 A CB 0.124 18.996 19.000 -0.214 0.000 0.995 113 A HN 0.841 nan 8.150 nan 0.000 0.501 114 R N 1.228 121.788 120.500 0.100 0.000 2.280 114 R HA 0.169 4.508 4.340 -0.001 0.000 0.195 114 R C -0.295 176.160 176.300 0.258 0.000 0.935 114 R CA 0.251 56.434 56.100 0.139 0.000 1.033 114 R CB -0.140 30.273 30.300 0.189 0.000 0.964 114 R HN 0.854 nan 8.270 nan 0.000 0.489 115 F N 0.659 120.744 119.950 0.226 0.000 3.100 115 F HA -0.326 4.201 4.527 -0.001 0.000 0.283 115 F C 0.757 176.685 175.800 0.213 0.000 0.900 115 F CA 0.218 58.317 58.000 0.166 0.000 1.010 115 F CB -0.844 38.141 39.000 -0.026 0.000 1.029 115 F HN 0.274 nan 8.300 nan 0.000 0.637 116 E N -0.251 120.198 120.200 0.414 0.000 2.389 116 E HA 0.062 4.412 4.350 -0.001 0.000 0.199 116 E C 0.711 177.454 176.600 0.238 0.000 0.978 116 E CA 0.173 56.722 56.400 0.247 0.000 0.912 116 E CB 0.345 30.122 29.700 0.128 0.000 0.907 116 E HN 0.286 nan 8.360 nan 0.000 0.494 117 N N 0.298 119.197 118.700 0.331 0.000 2.697 117 N HA 0.036 4.776 4.740 -0.001 0.000 0.271 117 N C -0.097 175.526 175.510 0.188 0.000 1.149 117 N CA -0.081 53.099 53.050 0.216 0.000 0.939 117 N CB 1.169 39.743 38.487 0.145 0.000 1.534 117 N HN -0.092 nan 8.380 nan 0.000 0.556 118 R N 2.440 122.824 120.500 -0.192 0.000 2.113 118 R HA -0.144 4.196 4.340 -0.001 0.000 0.244 118 R C 1.191 177.457 176.300 -0.057 0.000 1.142 118 R CA 1.865 57.587 56.100 -0.631 0.000 0.953 118 R CB 0.131 29.795 30.300 -1.061 0.000 0.860 118 R HN 0.661 nan 8.270 nan 0.000 0.438 119 E N -0.792 119.405 120.200 -0.004 0.000 2.038 119 E HA -0.263 4.086 4.350 -0.001 0.000 0.195 119 E C 1.821 178.527 176.600 0.175 0.000 1.000 119 E CA 1.649 58.102 56.400 0.089 0.000 0.803 119 E CB -0.296 29.444 29.700 0.065 0.000 0.750 119 E HN 0.396 nan 8.360 nan 0.000 0.448 120 Y N 2.072 122.422 120.300 0.083 0.000 2.151 120 Y HA -0.281 4.268 4.550 -0.001 0.000 0.284 120 Y C 1.872 177.843 175.900 0.118 0.000 1.166 120 Y CA 1.998 60.153 58.100 0.093 0.000 1.163 120 Y CB -0.070 38.447 38.460 0.095 0.000 0.974 120 Y HN 0.042 nan 8.280 nan 0.000 0.511 121 D N -1.209 119.361 120.400 0.283 0.000 2.085 121 D HA -0.187 4.452 4.640 -0.001 0.000 0.199 121 D C 2.000 178.358 176.300 0.098 0.000 0.981 121 D CA 1.615 55.745 54.000 0.216 0.000 0.834 121 D CB -0.777 40.311 40.800 0.480 0.000 0.992 121 D HN 0.373 nan 8.370 nan 0.000 0.457 122 Y N 1.193 121.554 120.300 0.102 0.000 2.421 122 Y HA -0.030 4.519 4.550 -0.001 0.000 0.292 122 Y C 1.853 177.777 175.900 0.039 0.000 1.136 122 Y CA 0.667 58.829 58.100 0.103 0.000 1.255 122 Y CB -0.184 38.365 38.460 0.148 0.000 0.991 122 Y HN -0.024 nan 8.280 nan 0.000 0.552 123 N N 0.438 119.196 118.700 0.096 0.000 2.461 123 N HA -0.077 4.662 4.740 -0.001 0.000 0.188 123 N C -0.166 175.302 175.510 -0.070 0.000 1.134 123 N CA 0.529 53.588 53.050 0.015 0.000 0.878 123 N CB -0.107 38.385 38.487 0.008 0.000 0.972 123 N HN 0.234 nan 8.380 nan 0.000 0.456 124 E N 0.001 120.134 120.200 -0.113 0.000 2.228 124 E HA -0.170 4.180 4.350 -0.001 0.000 0.213 124 E C 1.014 177.484 176.600 -0.217 0.000 1.282 124 E CA 0.065 56.364 56.400 -0.168 0.000 0.707 124 E CB -1.673 27.955 29.700 -0.119 0.000 1.150 124 E HN 0.096 nan 8.360 nan 0.000 0.362 125 V N -0.021 119.671 119.914 -0.371 0.000 2.252 125 V HA -0.305 3.814 4.120 -0.001 0.000 0.249 125 V C 2.411 178.357 176.094 -0.246 0.000 1.056 125 V CA 2.470 64.543 62.300 -0.378 0.000 1.022 125 V CB -0.343 31.039 31.823 -0.736 0.000 0.641 125 V HN 0.424 nan 8.190 nan 0.000 0.445 126 I N -0.620 119.783 120.570 -0.279 0.000 2.113 126 I HA -0.226 3.944 4.170 -0.001 0.000 0.238 126 I C 2.415 178.565 176.117 0.055 0.000 1.070 126 I CA 1.758 63.012 61.300 -0.078 0.000 1.332 126 I CB -0.435 37.480 38.000 -0.141 0.000 1.044 126 I HN 0.290 nan 8.210 nan 0.000 0.402 127 I N 1.409 121.942 120.570 -0.061 0.000 2.315 127 I HA -0.316 3.854 4.170 -0.001 0.000 0.251 127 I C 2.122 178.253 176.117 0.025 0.000 1.125 127 I CA 1.788 63.059 61.300 -0.049 0.000 1.392 127 I CB -0.621 37.303 38.000 -0.127 0.000 1.065 127 I HN 0.228 nan 8.210 nan 0.000 0.424 128 N N 0.096 118.779 118.700 -0.027 0.000 2.216 128 N HA -0.136 4.604 4.740 -0.001 0.000 0.183 128 N C 1.788 177.255 175.510 -0.072 0.000 1.017 128 N CA 1.038 54.059 53.050 -0.048 0.000 0.861 128 N CB -0.159 38.281 38.487 -0.078 0.000 0.986 128 N HN 0.578 nan 8.380 nan 0.000 0.428 129 Q N -0.636 119.132 119.800 -0.052 0.000 2.226 129 Q HA -0.056 4.284 4.340 -0.001 0.000 0.204 129 Q C 1.486 177.388 176.000 -0.163 0.000 0.975 129 Q CA 0.915 56.630 55.803 -0.146 0.000 0.866 129 Q CB -0.080 28.648 28.738 -0.017 0.000 0.915 129 Q HN 0.309 nan 8.270 nan 0.000 0.440 130 F N 0.382 120.277 119.950 -0.091 0.000 2.113 130 F HA -0.163 4.364 4.527 -0.001 0.000 0.297 130 F C 2.059 177.814 175.800 -0.076 0.000 1.103 130 F CA 0.979 58.950 58.000 -0.048 0.000 1.248 130 F CB -0.162 38.812 39.000 -0.043 0.000 0.999 130 F HN 0.009 nan 8.300 nan 0.000 0.475 131 I N -0.500 120.127 120.570 0.095 0.000 2.163 131 I HA -0.340 3.830 4.170 -0.001 0.000 0.243 131 I C 2.350 178.429 176.117 -0.063 0.000 1.085 131 I CA 1.361 62.671 61.300 0.017 0.000 1.347 131 I CB -0.455 37.541 38.000 -0.007 0.000 1.044 131 I HN 0.143 nan 8.210 nan 0.000 0.408 132 Q N -0.233 119.447 119.800 -0.199 0.000 2.079 132 Q HA -0.143 4.196 4.340 -0.001 0.000 0.200 132 Q C 1.835 177.667 176.000 -0.281 0.000 0.974 132 Q CA 1.476 57.078 55.803 -0.336 0.000 0.840 132 Q CB -0.006 28.345 28.738 -0.645 0.000 0.898 132 Q HN 0.562 nan 8.270 nan 0.000 0.430 133 H N -2.102 116.947 119.070 -0.035 0.000 2.755 133 H HA 0.290 4.846 4.556 -0.001 0.000 0.273 133 H C 1.767 177.055 175.328 -0.067 0.000 1.055 133 H CA 0.811 56.825 56.048 -0.058 0.000 1.191 133 H CB 0.218 29.930 29.762 -0.084 0.000 1.536 133 H HN 0.261 nan 8.280 nan 0.000 0.529 134 S N 0.261 115.978 115.700 0.029 0.000 2.406 134 S HA 0.025 4.495 4.470 -0.001 0.000 0.228 134 S C 1.955 176.571 174.600 0.027 0.000 1.020 134 S CA 0.916 59.132 58.200 0.027 0.000 0.965 134 S CB -0.323 62.938 63.200 0.103 0.000 0.798 134 S HN 0.530 nan 8.310 nan 0.000 0.488 135 G N 1.286 110.106 108.800 0.033 0.000 2.143 135 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.248 135 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.248 135 G C 0.031 174.949 174.900 0.029 0.000 0.991 135 G CA 0.209 45.323 45.100 0.024 0.000 0.689 135 G HN 0.607 nan 8.290 nan 0.000 0.522 136 R N -0.924 119.604 120.500 0.047 0.000 2.799 136 R HA 0.540 4.880 4.340 -0.001 0.000 0.270 136 R C -3.029 173.315 176.300 0.073 0.000 1.010 136 R CA -2.101 54.034 56.100 0.059 0.000 0.916 136 R CB 0.489 30.829 30.300 0.068 0.000 1.228 136 R HN 0.007 nan 8.270 nan 0.000 0.469 137 P HA 0.178 nan 4.420 nan 0.000 0.271 137 P C -0.687 176.692 177.300 0.131 0.000 1.216 137 P CA -0.230 62.934 63.100 0.106 0.000 0.771 137 P CB 0.655 32.424 31.700 0.115 0.000 0.864 138 V N 4.796 124.786 119.914 0.127 0.000 2.495 138 V HA 0.558 4.677 4.120 -0.001 0.000 0.298 138 V C -0.287 175.909 176.094 0.169 0.000 1.031 138 V CA -0.459 61.891 62.300 0.084 0.000 0.871 138 V CB 0.953 32.801 31.823 0.042 0.000 0.988 138 V HN 0.425 nan 8.190 nan 0.000 0.432 139 F N 2.183 122.176 119.950 0.071 0.000 2.532 139 F HA 0.800 5.327 4.527 -0.001 0.000 0.321 139 F C 0.074 175.913 175.800 0.064 0.000 1.089 139 F CA -1.006 57.083 58.000 0.148 0.000 0.926 139 F CB 1.762 40.900 39.000 0.230 0.000 1.168 139 F HN 0.380 nan 8.300 nan 0.000 0.459 140 S N 3.791 119.633 115.700 0.237 0.000 2.523 140 S HA 0.385 4.854 4.470 -0.001 0.000 0.275 140 S C 0.171 174.873 174.600 0.170 0.000 1.281 140 S CA -0.653 57.576 58.200 0.049 0.000 1.050 140 S CB 0.338 63.538 63.200 -0.000 0.000 0.937 140 S HN 0.824 nan 8.310 nan 0.000 0.492 141 M N 3.429 123.003 119.600 -0.044 0.000 2.576 141 M HA 0.351 4.830 4.480 -0.001 0.000 0.322 141 M C -0.233 175.944 176.300 -0.204 0.000 1.184 141 M CA 0.101 55.406 55.300 0.007 0.000 0.967 141 M CB -0.292 32.210 32.600 -0.164 0.000 1.372 141 M HN 0.888 nan 8.290 nan 0.000 0.509 142 E N 0.479 120.517 120.200 -0.270 0.000 7.511 142 E HA 0.014 4.364 4.350 -0.001 0.000 0.215 142 E C -1.532 174.950 176.600 -0.196 0.000 0.871 142 E CA -0.070 56.069 56.400 -0.435 0.000 1.658 142 E CB -0.227 29.040 29.700 -0.722 0.000 0.896 142 E HN 0.438 nan 8.360 nan 0.000 0.262 143 A N 3.232 125.944 122.820 -0.180 0.000 2.951 143 A HA 0.899 5.219 4.320 -0.001 0.000 0.239 143 A C 1.247 178.726 177.584 -0.175 0.000 1.623 143 A CA 0.407 52.349 52.037 -0.158 0.000 0.868 143 A CB -0.037 18.872 19.000 -0.153 0.000 1.712 143 A HN 1.049 nan 8.150 nan 0.000 0.558 144 A N -1.646 121.070 122.820 -0.174 0.000 1.970 144 A HA 0.115 4.435 4.320 -0.001 0.000 0.216 144 A C 1.830 179.244 177.584 -0.283 0.000 1.170 144 A CA 2.442 54.370 52.037 -0.183 0.000 0.645 144 A CB -0.800 18.126 19.000 -0.123 0.000 0.816 144 A HN 1.375 nan 8.150 nan 0.000 0.447 145 T N -4.537 109.816 114.554 -0.335 0.000 3.043 145 T HA 0.438 4.787 4.350 -0.001 0.000 0.272 145 T C 0.585 175.030 174.700 -0.425 0.000 0.990 145 T CA -0.432 61.383 62.100 -0.476 0.000 0.897 145 T CB 0.225 68.738 68.868 -0.591 0.000 1.111 145 T HN 0.353 nan 8.240 nan 0.000 0.529 146 R N -0.348 120.005 120.500 -0.246 0.000 2.831 146 R HA 0.559 4.898 4.340 -0.001 0.000 0.266 146 R C -1.610 174.663 176.300 -0.044 0.000 1.051 146 R CA -0.868 55.144 56.100 -0.146 0.000 0.943 146 R CB 1.106 31.383 30.300 -0.040 0.000 1.228 146 R HN 0.149 nan 8.270 nan 0.000 0.467 147 H N 1.665 120.670 119.070 -0.107 0.000 2.927 147 H HA 0.149 4.705 4.556 -0.001 0.000 0.213 147 H C -2.231 173.055 175.328 -0.070 0.000 1.363 147 H CA -2.043 53.960 56.048 -0.074 0.000 1.369 147 H CB 0.563 30.275 29.762 -0.083 0.000 2.040 147 H HN 0.324 nan 8.280 nan 0.000 0.544 148 P HA -0.208 nan 4.420 nan 0.000 0.216 148 P C 1.779 179.092 177.300 0.021 0.000 1.157 148 P CA 0.957 64.034 63.100 -0.039 0.000 0.880 148 P CB 0.753 32.216 31.700 -0.395 0.000 0.791 149 L N -0.888 120.524 121.223 0.315 0.000 2.043 149 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 149 L C 3.108 179.907 176.870 -0.117 0.000 1.075 149 L CA 1.878 56.881 54.840 0.271 0.000 0.752 149 L CB -0.944 41.312 42.059 0.329 0.000 0.891 149 L HN 0.077 nan 8.230 nan 0.000 0.432 150 Q N -0.220 119.318 119.800 -0.438 0.000 2.016 150 Q HA -0.142 4.197 4.340 -0.001 0.000 0.200 150 Q C 2.264 178.020 176.000 -0.407 0.000 0.978 150 Q CA 2.314 57.791 55.803 -0.544 0.000 0.833 150 Q CB -0.254 27.890 28.738 -0.991 0.000 0.895 150 Q HN 0.312 nan 8.270 nan 0.000 0.427 151 S N 0.423 115.817 115.700 -0.510 0.000 2.359 151 S HA -0.138 4.331 4.470 -0.001 0.000 0.224 151 S C 1.499 175.590 174.600 -0.849 0.000 1.035 151 S CA 1.187 58.983 58.200 -0.673 0.000 1.018 151 S CB -0.695 61.878 63.200 -1.044 0.000 0.876 151 S HN 0.511 nan 8.310 nan 0.000 0.448 152 F N 2.851 121.978 119.950 -1.373 0.000 2.120 152 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 152 F C 2.390 177.898 175.800 -0.487 0.000 1.095 152 F CA 0.931 58.272 58.000 -1.098 0.000 1.249 152 F CB -1.270 37.349 39.000 -0.635 0.000 0.995 152 F HN 0.184 nan 8.300 nan 0.000 0.480 153 A N 0.074 122.670 122.820 -0.374 0.000 1.898 153 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 153 A C 2.039 179.490 177.584 -0.221 0.000 1.181 153 A CA 1.727 53.548 52.037 -0.359 0.000 0.620 153 A CB -0.935 17.894 19.000 -0.285 0.000 0.819 153 A HN 0.432 nan 8.150 nan 0.000 0.442 154 D N -0.285 120.009 120.400 -0.176 0.000 2.144 154 D HA -0.147 4.492 4.640 -0.001 0.000 0.199 154 D C 1.852 178.113 176.300 -0.064 0.000 0.984 154 D CA 1.362 55.319 54.000 -0.072 0.000 0.834 154 D CB -0.386 40.412 40.800 -0.004 0.000 0.955 154 D HN 0.362 nan 8.370 nan 0.000 0.465 155 L N 1.229 122.405 121.223 -0.079 0.000 1.994 155 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 155 L C 2.280 179.187 176.870 0.061 0.000 1.071 155 L CA 1.358 56.217 54.840 0.031 0.000 0.745 155 L CB -0.646 41.509 42.059 0.159 0.000 0.892 155 L HN -0.033 nan 8.230 nan 0.000 0.431 156 I N -0.529 120.029 120.570 -0.021 0.000 2.194 156 I HA -0.373 3.796 4.170 -0.001 0.000 0.246 156 I C 2.472 178.605 176.117 0.026 0.000 1.093 156 I CA 2.008 63.251 61.300 -0.095 0.000 1.355 156 I CB -0.823 36.943 38.000 -0.390 0.000 1.046 156 I HN 0.561 nan 8.210 nan 0.000 0.413 157 T N -0.742 113.813 114.554 0.000 0.000 2.904 157 T HA -0.038 4.312 4.350 -0.001 0.000 0.267 157 T C 1.816 176.600 174.700 0.140 0.000 1.059 157 T CA 0.792 62.950 62.100 0.095 0.000 1.137 157 T CB -0.430 68.430 68.868 -0.013 0.000 0.879 157 T HN 0.282 nan 8.240 nan 0.000 0.467 158 I N 0.801 121.356 120.570 -0.025 0.000 2.252 158 I HA -0.068 4.102 4.170 -0.001 0.000 0.245 158 I C 3.018 179.120 176.117 -0.025 0.000 1.102 158 I CA 1.175 62.297 61.300 -0.297 0.000 1.385 158 I CB -0.316 37.347 38.000 -0.561 0.000 1.064 158 I HN 0.232 nan 8.210 nan 0.000 0.414 159 E N 0.734 121.019 120.200 0.141 0.000 2.051 159 E HA -0.274 4.076 4.350 -0.001 0.000 0.192 159 E C 1.987 178.730 176.600 0.239 0.000 0.991 159 E CA 1.193 57.731 56.400 0.229 0.000 0.799 159 E CB -0.231 29.683 29.700 0.356 0.000 0.748 159 E HN 0.502 nan 8.360 nan 0.000 0.449 160 E N -0.701 119.722 120.200 0.371 0.000 2.160 160 E HA -0.193 4.156 4.350 -0.001 0.000 0.195 160 E C 1.168 177.838 176.600 0.116 0.000 0.991 160 E CA 1.024 57.612 56.400 0.315 0.000 0.810 160 E CB 0.070 30.035 29.700 0.441 0.000 0.742 160 E HN 0.259 nan 8.360 nan 0.000 0.466 161 Y N 0.333 120.702 120.300 0.116 0.000 2.462 161 Y HA 0.125 4.675 4.550 -0.001 0.000 0.253 161 Y C 0.280 176.376 175.900 0.327 0.000 1.095 161 Y CA -0.156 58.005 58.100 0.101 0.000 1.283 161 Y CB 0.350 38.661 38.460 -0.249 0.000 1.138 161 Y HN -0.122 nan 8.280 nan 0.000 0.522 162 K N 0.545 121.265 120.400 0.534 0.000 2.527 162 K HA -0.033 4.286 4.320 -0.001 0.000 0.278 162 K C 0.252 177.024 176.600 0.287 0.000 0.981 162 K CA 0.195 56.781 56.287 0.500 0.000 1.009 162 K CB 0.720 33.373 32.500 0.254 0.000 0.895 162 K HN -0.150 nan 8.250 nan 0.000 0.493 163 K N 0.439 120.984 120.400 0.242 0.000 2.361 163 K HA 0.044 4.364 4.320 -0.001 0.000 0.194 163 K C -0.003 176.653 176.600 0.093 0.000 1.032 163 K CA 0.652 57.019 56.287 0.134 0.000 1.048 163 K CB 0.653 33.205 32.500 0.087 0.000 0.842 163 K HN 0.958 nan 8.250 nan 0.000 0.526 164 T N -5.203 109.413 114.554 0.104 0.000 2.865 164 T HA 0.641 4.991 4.350 -0.001 0.000 0.294 164 T C 0.981 175.728 174.700 0.078 0.000 1.119 164 T CA -0.441 61.704 62.100 0.076 0.000 1.007 164 T CB 1.669 70.578 68.868 0.068 0.000 1.225 164 T HN -0.154 nan 8.240 nan 0.000 0.515 165 A N 0.863 123.727 122.820 0.074 0.000 1.902 165 A HA 0.129 4.449 4.320 -0.001 0.000 0.217 165 A C 1.326 178.989 177.584 0.132 0.000 1.181 165 A CA 0.830 52.923 52.037 0.093 0.000 0.623 165 A CB -0.473 18.575 19.000 0.080 0.000 0.818 165 A HN 0.777 nan 8.150 nan 0.000 0.443 166 R N 0.156 120.726 120.500 0.117 0.000 2.564 166 R HA 0.295 4.635 4.340 -0.001 0.000 0.282 166 R C -2.866 173.488 176.300 0.090 0.000 1.573 166 R CA -1.681 54.520 56.100 0.167 0.000 1.588 166 R CB 1.102 31.507 30.300 0.174 0.000 1.154 166 R HN 0.341 nan 8.270 nan 0.000 0.606 167 P HA -0.018 nan 4.420 nan 0.000 0.272 167 P C -0.867 176.483 177.300 0.082 0.000 1.240 167 P CA -0.361 62.760 63.100 0.035 0.000 0.791 167 P CB 1.016 32.765 31.700 0.082 0.000 0.978 168 K N 1.162 121.651 120.400 0.147 0.000 2.267 168 K HA 0.335 4.654 4.320 -0.001 0.000 0.282 168 K C -1.126 175.614 176.600 0.233 0.000 1.078 168 K CA -0.579 55.810 56.287 0.169 0.000 0.903 168 K CB 0.295 32.870 32.500 0.126 0.000 1.111 168 K HN 0.172 nan 8.250 nan 0.000 0.475 169 V N 5.269 125.356 119.914 0.288 0.000 2.370 169 V HA 0.268 4.388 4.120 -0.001 0.000 0.283 169 V C -0.474 175.880 176.094 0.433 0.000 1.023 169 V CA -0.894 61.636 62.300 0.382 0.000 0.857 169 V CB 1.566 33.613 31.823 0.373 0.000 0.985 169 V HN 0.485 nan 8.190 nan 0.000 0.443 170 V N 6.321 126.416 119.914 0.302 0.000 2.378 170 V HA 0.426 4.545 4.120 -0.001 0.000 0.288 170 V C 0.003 176.258 176.094 0.269 0.000 1.016 170 V CA -0.405 62.007 62.300 0.186 0.000 0.840 170 V CB 1.562 33.348 31.823 -0.062 0.000 0.994 170 V HN 0.931 nan 8.190 nan 0.000 0.431 171 M N 4.722 124.569 119.600 0.412 0.000 2.108 171 M HA 0.474 4.953 4.480 -0.001 0.000 0.354 171 M C -0.207 176.351 176.300 0.430 0.000 1.229 171 M CA 0.349 55.928 55.300 0.466 0.000 1.081 171 M CB 1.105 34.113 32.600 0.679 0.000 1.606 171 M HN 0.716 nan 8.290 nan 0.000 0.467 172 T N 4.797 119.610 114.554 0.432 0.000 2.863 172 T HA 0.390 4.740 4.350 -0.001 0.000 0.285 172 T C -1.297 173.724 174.700 0.535 0.000 1.009 172 T CA -0.491 61.955 62.100 0.577 0.000 0.989 172 T CB 0.697 69.988 68.868 0.705 0.000 1.004 172 T HN 0.789 nan 8.240 nan 0.000 0.455 173 W N 4.277 125.729 121.300 0.254 0.000 2.129 173 W HA 0.610 5.270 4.660 -0.001 0.000 0.349 173 W C -0.585 175.895 176.519 -0.065 0.000 1.279 173 W CA 0.094 57.261 57.345 -0.297 0.000 1.306 173 W CB 0.439 29.282 29.460 -1.029 0.000 1.140 173 W HN 0.839 nan 8.180 nan 0.000 0.613 174 A N 4.976 127.123 122.820 -1.122 0.000 2.594 174 A HA 0.548 4.868 4.320 -0.001 0.000 0.295 174 A C -2.780 173.790 177.584 -1.690 0.000 1.071 174 A CA -1.549 49.982 52.037 -0.843 0.000 0.685 174 A CB 1.371 20.205 19.000 -0.276 0.000 1.285 174 A HN 0.441 nan 8.150 nan 0.000 0.405 175 P HA 0.229 nan 4.420 nan 0.000 0.271 175 P C -1.067 176.028 177.300 -0.341 0.000 1.216 175 P CA 0.583 63.294 63.100 -0.647 0.000 0.776 175 P CB 0.650 32.264 31.700 -0.144 0.000 0.881 176 H N 3.800 122.701 119.070 -0.281 0.000 2.996 176 H HA 0.256 4.812 4.556 -0.001 0.000 0.368 176 H C -2.046 173.263 175.328 -0.032 0.000 1.185 176 H CA -1.775 54.186 56.048 -0.144 0.000 1.160 176 H CB 2.552 32.221 29.762 -0.155 0.000 1.820 176 H HN 0.175 nan 8.280 nan 0.000 0.547 177 P HA 0.058 nan 4.420 nan 0.000 0.229 177 P C -0.144 177.305 177.300 0.248 0.000 1.160 177 P CA 0.544 63.706 63.100 0.103 0.000 0.777 177 P CB 1.203 32.885 31.700 -0.029 0.000 0.814 178 R N 0.518 121.331 120.500 0.521 0.000 2.803 178 R HA 0.445 4.784 4.340 -0.001 0.000 0.276 178 R C -2.577 173.814 176.300 0.152 0.000 0.978 178 R CA -2.490 53.780 56.100 0.283 0.000 0.939 178 R CB 1.506 31.964 30.300 0.263 0.000 1.179 178 R HN -0.062 nan 8.270 nan 0.000 0.472 179 P HA 0.065 nan 4.420 nan 0.000 0.269 179 P C -0.805 176.646 177.300 0.253 0.000 1.252 179 P CA 0.326 63.561 63.100 0.225 0.000 0.780 179 P CB 0.502 32.354 31.700 0.253 0.000 0.829 180 L N 6.206 127.528 121.223 0.165 0.000 2.344 180 L HA 0.505 4.845 4.340 -0.001 0.000 0.272 180 L C -2.100 174.891 176.870 0.201 0.000 1.035 180 L CA -2.904 51.967 54.840 0.051 0.000 0.807 180 L CB 1.323 43.300 42.059 -0.136 0.000 1.237 180 L HN 0.102 nan 8.230 nan 0.000 0.442 181 P HA 0.005 nan 4.420 nan 0.000 0.271 181 P C -0.495 176.860 177.300 0.092 0.000 1.233 181 P CA -0.312 62.717 63.100 -0.118 0.000 0.789 181 P CB 0.369 31.809 31.700 -0.432 0.000 0.951 182 Q N 0.486 120.361 119.800 0.125 0.000 2.220 182 Q HA 0.192 4.531 4.340 -0.001 0.000 0.205 182 Q C 1.296 177.154 176.000 -0.236 0.000 0.865 182 Q CA 0.083 55.878 55.803 -0.014 0.000 0.960 182 Q CB -0.377 28.355 28.738 -0.009 0.000 1.097 182 Q HN 0.390 nan 8.270 nan 0.000 0.493 183 A N 1.436 124.112 122.820 -0.240 0.000 1.892 183 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 183 A C 2.254 179.706 177.584 -0.220 0.000 1.188 183 A CA 1.905 53.763 52.037 -0.298 0.000 0.631 183 A CB -0.764 18.055 19.000 -0.301 0.000 0.822 183 A HN 0.214 nan 8.150 nan 0.000 0.447 184 V N 0.349 120.184 119.914 -0.131 0.000 2.261 184 V HA -0.155 3.964 4.120 -0.001 0.000 0.246 184 V C -0.053 176.027 176.094 -0.023 0.000 1.047 184 V CA 2.463 64.746 62.300 -0.029 0.000 1.015 184 V CB -1.603 30.216 31.823 -0.008 0.000 0.642 184 V HN 0.377 nan 8.190 nan 0.000 0.446 185 P HA -0.091 nan 4.420 nan 0.000 0.215 185 P C 1.334 178.510 177.300 -0.206 0.000 1.157 185 P CA 1.359 64.343 63.100 -0.193 0.000 0.868 185 P CB -0.130 31.144 31.700 -0.710 0.000 0.788 186 N N -0.869 117.573 118.700 -0.430 0.000 2.036 186 N HA -0.158 4.581 4.740 -0.001 0.000 0.195 186 N C 1.953 177.259 175.510 -0.340 0.000 1.037 186 N CA 1.576 54.216 53.050 -0.684 0.000 0.855 186 N CB -1.324 36.225 38.487 -1.564 0.000 1.033 186 N HN 0.047 nan 8.380 nan 0.000 0.423 187 S N -0.098 115.463 115.700 -0.231 0.000 2.359 187 S HA -0.113 4.356 4.470 -0.001 0.000 0.224 187 S C 1.817 176.493 174.600 0.127 0.000 1.035 187 S CA 0.799 59.012 58.200 0.022 0.000 1.018 187 S CB -0.454 62.749 63.200 0.004 0.000 0.876 187 S HN 0.326 nan 8.310 nan 0.000 0.448 188 F N 2.296 122.180 119.950 -0.109 0.000 2.075 188 F HA -0.031 4.496 4.527 -0.001 0.000 0.297 188 F C 2.344 178.026 175.800 -0.197 0.000 1.113 188 F CA 1.317 59.184 58.000 -0.222 0.000 1.218 188 F CB -1.050 37.762 39.000 -0.314 0.000 0.984 188 F HN 0.251 nan 8.300 nan 0.000 0.472 189 A N -0.054 122.782 122.820 0.027 0.000 1.883 189 A HA -0.305 4.014 4.320 -0.001 0.000 0.217 189 A C 2.211 179.728 177.584 -0.112 0.000 1.186 189 A CA 2.001 54.047 52.037 0.015 0.000 0.624 189 A CB -1.244 17.949 19.000 0.322 0.000 0.822 189 A HN 0.595 nan 8.150 nan 0.000 0.444 190 E N -1.446 118.785 120.200 0.051 0.000 2.070 190 E HA -0.274 4.076 4.350 -0.001 0.000 0.197 190 E C 1.768 178.267 176.600 -0.169 0.000 1.004 190 E CA 1.827 58.242 56.400 0.026 0.000 0.805 190 E CB -0.287 29.518 29.700 0.176 0.000 0.744 190 E HN 0.767 nan 8.360 nan 0.000 0.451 191 W N -0.182 120.914 121.300 -0.340 0.000 2.409 191 W HA -0.069 4.591 4.660 -0.001 0.000 0.299 191 W C 2.361 178.533 176.519 -0.578 0.000 1.203 191 W CA 0.541 57.640 57.345 -0.410 0.000 1.298 191 W CB -0.305 28.925 29.460 -0.384 0.000 1.127 191 W HN 0.183 nan 8.180 nan 0.000 0.528 192 M N 0.197 119.393 119.600 -0.674 0.000 2.159 192 M HA -0.174 4.305 4.480 -0.001 0.000 0.263 192 M C 1.459 177.403 176.300 -0.592 0.000 1.063 192 M CA 1.309 56.064 55.300 -0.909 0.000 1.110 192 M CB -1.765 29.726 32.600 -1.848 0.000 1.374 192 M HN 0.043 nan 8.290 nan 0.000 0.411 193 N N 0.598 119.042 118.700 -0.427 0.000 2.381 193 N HA -0.024 4.716 4.740 -0.001 0.000 0.182 193 N C 1.552 176.927 175.510 -0.224 0.000 1.025 193 N CA 1.308 54.243 53.050 -0.192 0.000 0.888 193 N CB -0.137 38.301 38.487 -0.083 0.000 0.965 193 N HN 0.379 nan 8.380 nan 0.000 0.438 194 A N 0.243 122.877 122.820 -0.310 0.000 2.119 194 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 194 A C 1.492 178.887 177.584 -0.316 0.000 1.152 194 A CA 0.914 52.760 52.037 -0.318 0.000 0.708 194 A CB -0.416 18.330 19.000 -0.424 0.000 0.805 194 A HN 0.416 nan 8.150 nan 0.000 0.460 195 T N -2.038 112.277 114.554 -0.398 0.000 2.867 195 T HA 0.379 4.728 4.350 -0.001 0.000 0.286 195 T C 0.123 174.622 174.700 -0.334 0.000 1.022 195 T CA 0.116 61.913 62.100 -0.504 0.000 0.933 195 T CB 0.897 69.107 68.868 -1.097 0.000 1.280 195 T HN 0.263 nan 8.240 nan 0.000 0.566 196 D N -1.375 118.855 120.400 -0.284 0.000 2.593 196 D HA 0.120 4.759 4.640 -0.001 0.000 0.241 196 D C -0.231 176.126 176.300 0.095 0.000 1.257 196 D CA -0.514 53.446 54.000 -0.066 0.000 0.828 196 D CB -0.653 40.133 40.800 -0.024 0.000 1.049 196 D HN 0.686 nan 8.370 nan 0.000 0.490 197 Y N 0.952 121.251 120.300 -0.002 0.000 2.281 197 Y HA 0.123 4.672 4.550 -0.001 0.000 0.337 197 Y C 1.190 177.142 175.900 0.086 0.000 1.304 197 Y CA -0.907 57.213 58.100 0.034 0.000 1.465 197 Y CB 0.971 39.432 38.460 0.002 0.000 1.350 197 Y HN -0.091 nan 8.280 nan 0.000 0.575 198 E N 2.100 122.474 120.200 0.291 0.000 1.963 198 E HA 0.095 4.445 4.350 -0.001 0.000 0.274 198 E C -1.664 175.119 176.600 0.305 0.000 1.061 198 E CA -0.415 56.121 56.400 0.227 0.000 0.847 198 E CB 0.072 29.870 29.700 0.162 0.000 1.083 198 E HN 0.353 nan 8.360 nan 0.000 0.402 199 F N 5.044 125.063 119.950 0.115 0.000 2.408 199 F HA 0.380 4.906 4.527 -0.001 0.000 0.344 199 F C -1.085 174.783 175.800 0.114 0.000 1.112 199 F CA -0.793 57.275 58.000 0.113 0.000 1.096 199 F CB 0.971 40.008 39.000 0.062 0.000 1.129 199 F HN 0.104 nan 8.300 nan 0.000 0.486 200 V N 7.563 127.246 119.914 -0.385 0.000 2.709 200 V HA 0.453 4.572 4.120 -0.001 0.000 0.308 200 V C -0.285 175.511 176.094 -0.495 0.000 1.062 200 V CA -0.871 61.201 62.300 -0.380 0.000 0.901 200 V CB 2.004 33.781 31.823 -0.076 0.000 1.003 200 V HN 0.584 nan 8.190 nan 0.000 0.425 201 I N 3.031 123.384 120.570 -0.361 0.000 2.378 201 I HA 0.546 4.716 4.170 -0.001 0.000 0.291 201 I C -0.149 176.013 176.117 0.075 0.000 0.992 201 I CA -0.202 61.046 61.300 -0.086 0.000 1.154 201 I CB 2.100 40.085 38.000 -0.025 0.000 1.315 201 I HN 0.633 nan 8.210 nan 0.000 0.448 202 T N 6.103 120.820 114.554 0.272 0.000 2.881 202 T HA 0.529 4.878 4.350 -0.001 0.000 0.291 202 T C -0.989 174.022 174.700 0.518 0.000 0.990 202 T CA -0.426 61.853 62.100 0.298 0.000 0.976 202 T CB 0.326 69.433 68.868 0.397 0.000 0.970 202 T HN 0.814 nan 8.240 nan 0.000 0.438 203 H N 2.008 121.229 119.070 0.252 0.000 3.014 203 H HA 0.543 5.099 4.556 -0.001 0.000 0.337 203 H C -3.432 171.634 175.328 -0.437 0.000 1.320 203 H CA -2.140 53.745 56.048 -0.271 0.000 1.128 203 H CB 0.620 30.283 29.762 -0.165 0.000 1.862 203 H HN 0.299 nan 8.280 nan 0.000 0.536 204 P HA 0.012 nan 4.420 nan 0.000 0.272 204 P C -0.054 177.344 177.300 0.162 0.000 1.240 204 P CA -0.147 62.744 63.100 -0.348 0.000 0.791 204 P CB 0.664 31.863 31.700 -0.836 0.000 0.978 205 E N 0.683 121.060 120.200 0.294 0.000 2.414 205 E HA 0.184 4.534 4.350 -0.001 0.000 0.263 205 E C 1.242 177.938 176.600 0.160 0.000 1.000 205 E CA 1.184 57.790 56.400 0.344 0.000 0.914 205 E CB -0.055 29.723 29.700 0.131 0.000 0.948 205 E HN 0.810 nan 8.360 nan 0.000 0.444 206 G N 2.911 111.817 108.800 0.177 0.000 2.279 206 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.223 206 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.223 206 G C 0.435 175.260 174.900 -0.126 0.000 1.015 206 G CA -0.182 44.895 45.100 -0.038 0.000 0.621 206 G HN 0.555 nan 8.290 nan 0.000 0.506 207 Y N 3.193 123.478 120.300 -0.024 0.000 2.596 207 Y HA 0.313 4.863 4.550 -0.001 0.000 0.316 207 Y C 0.829 176.613 175.900 -0.193 0.000 1.156 207 Y CA 0.103 58.113 58.100 -0.149 0.000 1.300 207 Y CB 0.208 38.298 38.460 -0.617 0.000 1.130 207 Y HN 0.267 nan 8.280 nan 0.000 0.518 208 E N 1.048 121.349 120.200 0.167 0.000 2.415 208 E HA 0.045 4.394 4.350 -0.001 0.000 0.263 208 E C -0.171 176.553 176.600 0.207 0.000 0.995 208 E CA 0.068 56.594 56.400 0.210 0.000 0.915 208 E CB 1.304 31.208 29.700 0.340 0.000 0.951 208 E HN 0.403 nan 8.360 nan 0.000 0.449 209 L N 1.587 122.858 121.223 0.080 0.000 2.456 209 L HA 0.132 4.471 4.340 -0.001 0.000 0.257 209 L C 1.044 177.905 176.870 -0.015 0.000 1.162 209 L CA -0.720 54.084 54.840 -0.060 0.000 0.808 209 L CB 0.390 42.324 42.059 -0.208 0.000 1.136 209 L HN 0.492 nan 8.230 nan 0.000 0.466 210 D N 1.376 121.608 120.400 -0.281 0.000 2.488 210 D HA -0.021 4.618 4.640 -0.001 0.000 0.238 210 D C -1.779 174.581 176.300 0.099 0.000 1.138 210 D CA -1.058 52.894 54.000 -0.080 0.000 0.873 210 D CB 1.642 42.384 40.800 -0.097 0.000 1.183 210 D HN 0.205 nan 8.370 nan 0.000 0.458 211 P HA -0.205 nan 4.420 nan 0.000 0.216 211 P C 1.204 178.510 177.300 0.009 0.000 1.153 211 P CA 2.118 65.261 63.100 0.071 0.000 0.858 211 P CB -0.016 31.722 31.700 0.063 0.000 0.789 212 K N -1.464 118.888 120.400 -0.079 0.000 2.281 212 K HA -0.143 4.176 4.320 -0.001 0.000 0.203 212 K C 1.441 177.832 176.600 -0.348 0.000 1.046 212 K CA 1.575 57.715 56.287 -0.245 0.000 0.938 212 K CB -0.858 31.415 32.500 -0.378 0.000 0.737 212 K HN 0.170 nan 8.250 nan 0.000 0.458 213 F N 0.422 120.364 119.950 -0.014 0.000 2.453 213 F HA 0.047 4.574 4.527 -0.001 0.000 0.284 213 F C 2.201 178.011 175.800 0.018 0.000 1.065 213 F CA -0.125 57.862 58.000 -0.020 0.000 1.411 213 F CB 0.055 39.027 39.000 -0.048 0.000 1.131 213 F HN -0.257 nan 8.300 nan 0.000 0.582 214 V N 0.280 120.323 119.914 0.214 0.000 2.380 214 V HA -0.162 3.958 4.120 -0.001 0.000 0.251 214 V C 1.900 178.085 176.094 0.152 0.000 1.063 214 V CA 1.446 63.853 62.300 0.178 0.000 1.055 214 V CB -1.588 30.321 31.823 0.144 0.000 0.657 214 V HN 0.614 nan 8.190 nan 0.000 0.455 215 G N 1.150 110.005 108.800 0.091 0.000 2.574 215 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.286 215 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.286 215 G C 0.122 175.061 174.900 0.065 0.000 1.212 215 G CA 0.563 45.696 45.100 0.054 0.000 0.979 215 G HN 0.878 nan 8.290 nan 0.000 0.557 216 N N 0.902 119.640 118.700 0.065 0.000 2.380 216 N HA 0.613 5.353 4.740 -0.001 0.000 0.255 216 N C 0.279 175.837 175.510 0.080 0.000 1.158 216 N CA 0.891 53.977 53.050 0.061 0.000 0.878 216 N CB 0.749 39.260 38.487 0.041 0.000 1.138 216 N HN 1.062 nan 8.380 nan 0.000 0.509 217 A N 0.598 123.482 122.820 0.106 0.000 2.351 217 A HA 0.348 4.667 4.320 -0.001 0.000 0.257 217 A C 0.362 177.949 177.584 0.004 0.000 1.087 217 A CA -0.726 51.361 52.037 0.083 0.000 0.798 217 A CB 0.442 19.506 19.000 0.106 0.000 1.033 217 A HN 0.465 nan 8.150 nan 0.000 0.488 218 R N 1.563 122.039 120.500 -0.041 0.000 2.347 218 R HA 0.387 4.727 4.340 -0.001 0.000 0.304 218 R C -1.341 174.921 176.300 -0.064 0.000 1.072 218 R CA -0.092 55.993 56.100 -0.025 0.000 0.980 218 R CB 0.230 30.525 30.300 -0.008 0.000 0.986 218 R HN 0.437 nan 8.270 nan 0.000 0.448 219 V N 4.517 124.417 119.914 -0.023 0.000 2.347 219 V HA 0.181 4.301 4.120 -0.001 0.000 0.280 219 V C -0.389 175.653 176.094 -0.086 0.000 1.021 219 V CA -0.557 61.693 62.300 -0.084 0.000 0.847 219 V CB 1.289 33.067 31.823 -0.075 0.000 0.990 219 V HN 0.715 nan 8.190 nan 0.000 0.444 220 E N 3.262 123.398 120.200 -0.106 0.000 2.129 220 E HA 0.390 4.740 4.350 -0.001 0.000 0.268 220 E C -0.421 176.157 176.600 -0.037 0.000 0.900 220 E CA -0.392 56.010 56.400 0.004 0.000 0.755 220 E CB 1.036 30.775 29.700 0.064 0.000 1.117 220 E HN 0.534 nan 8.360 nan 0.000 0.410 221 Y N 1.583 121.916 120.300 0.055 0.000 2.546 221 Y HA 0.088 4.638 4.550 -0.001 0.000 0.287 221 Y C 0.656 176.659 175.900 0.172 0.000 1.158 221 Y CA 0.423 58.592 58.100 0.115 0.000 1.307 221 Y CB 0.557 39.060 38.460 0.072 0.000 1.036 221 Y HN 0.438 nan 8.280 nan 0.000 0.532 222 D N 0.618 121.138 120.400 0.201 0.000 2.443 222 D HA 0.017 4.657 4.640 -0.001 0.000 0.221 222 D C 0.931 177.211 176.300 -0.035 0.000 1.097 222 D CA -0.019 54.015 54.000 0.057 0.000 0.865 222 D CB 0.930 41.760 40.800 0.050 0.000 1.034 222 D HN 0.301 nan 8.370 nan 0.000 0.511 223 Q N 3.734 123.355 119.800 -0.297 0.000 2.045 223 Q HA -0.213 4.127 4.340 -0.001 0.000 0.206 223 Q C 1.675 177.593 176.000 -0.137 0.000 0.991 223 Q CA 1.406 57.006 55.803 -0.338 0.000 0.851 223 Q CB 0.153 28.287 28.738 -1.007 0.000 0.911 223 Q HN 0.535 nan 8.270 nan 0.000 0.418 224 M N 0.422 119.880 119.600 -0.236 0.000 2.144 224 M HA -0.195 4.284 4.480 -0.001 0.000 0.260 224 M C 1.971 178.284 176.300 0.022 0.000 1.067 224 M CA 1.614 56.832 55.300 -0.135 0.000 1.095 224 M CB -0.712 31.801 32.600 -0.146 0.000 1.365 224 M HN 0.200 nan 8.290 nan 0.000 0.406 225 K N -0.427 119.991 120.400 0.030 0.000 2.057 225 K HA -0.045 4.274 4.320 -0.001 0.000 0.206 225 K C 2.053 178.724 176.600 0.118 0.000 1.050 225 K CA 1.308 57.635 56.287 0.067 0.000 0.935 225 K CB -0.077 32.456 32.500 0.056 0.000 0.715 225 K HN 0.284 nan 8.250 nan 0.000 0.439 226 A N 0.853 123.768 122.820 0.160 0.000 1.877 226 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 226 A C 1.889 179.603 177.584 0.216 0.000 1.186 226 A CA 1.322 53.469 52.037 0.183 0.000 0.620 226 A CB -0.763 18.372 19.000 0.225 0.000 0.822 226 A HN 0.207 nan 8.150 nan 0.000 0.443 227 F N 0.691 120.670 119.950 0.047 0.000 2.250 227 F HA -0.058 4.468 4.527 -0.001 0.000 0.301 227 F C 1.076 176.905 175.800 0.048 0.000 1.077 227 F CA 0.694 58.729 58.000 0.059 0.000 1.348 227 F CB -0.512 38.511 39.000 0.038 0.000 1.040 227 F HN 0.279 nan 8.300 nan 0.000 0.509 228 E N 0.289 120.610 120.200 0.203 0.000 2.729 228 E HA 0.085 4.435 4.350 -0.001 0.000 0.246 228 E C 1.317 177.969 176.600 0.087 0.000 0.984 228 E CA 0.639 57.111 56.400 0.119 0.000 0.951 228 E CB -0.274 29.477 29.700 0.086 0.000 0.914 228 E HN 0.451 nan 8.360 nan 0.000 0.509 229 G N 2.648 111.490 108.800 0.070 0.000 2.203 229 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.263 229 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.263 229 G C 0.381 175.306 174.900 0.042 0.000 1.012 229 G CA 0.180 45.308 45.100 0.047 0.000 0.749 229 G HN 0.756 nan 8.290 nan 0.000 0.512 230 A N -0.713 122.130 122.820 0.039 0.000 2.366 230 A HA 0.584 4.903 4.320 -0.001 0.000 0.249 230 A C 1.102 178.692 177.584 0.010 0.000 1.084 230 A CA 0.603 52.657 52.037 0.028 0.000 0.794 230 A CB 0.443 19.418 19.000 -0.041 0.000 1.034 230 A HN 0.210 nan 8.150 nan 0.000 0.491 231 D N -0.676 119.759 120.400 0.059 0.000 2.423 231 D HA 0.214 4.853 4.640 -0.001 0.000 0.212 231 D C -0.887 175.288 176.300 -0.208 0.000 1.060 231 D CA 1.072 55.049 54.000 -0.039 0.000 0.872 231 D CB 0.353 41.219 40.800 0.110 0.000 1.012 231 D HN 0.417 nan 8.370 nan 0.000 0.503 232 F N 0.800 120.799 119.950 0.081 0.000 2.574 232 F HA 0.356 4.882 4.527 -0.001 0.000 0.313 232 F C -0.510 175.328 175.800 0.062 0.000 1.130 232 F CA -0.932 57.143 58.000 0.126 0.000 0.936 232 F CB 2.209 41.300 39.000 0.152 0.000 1.219 232 F HN -0.331 nan 8.300 nan 0.000 0.445 233 I N 3.457 124.149 120.570 0.203 0.000 2.389 233 I HA 0.184 4.353 4.170 -0.001 0.000 0.288 233 I C -1.207 174.938 176.117 0.046 0.000 0.999 233 I CA -0.900 60.434 61.300 0.056 0.000 1.129 233 I CB 1.359 39.395 38.000 0.059 0.000 1.288 233 I HN 0.556 nan 8.210 nan 0.000 0.444 234 Y N 6.237 126.464 120.300 -0.121 0.000 2.587 234 Y HA 0.664 5.213 4.550 -0.001 0.000 0.328 234 Y C 0.170 175.931 175.900 -0.233 0.000 0.980 234 Y CA -0.746 57.139 58.100 -0.358 0.000 1.272 234 Y CB 1.082 39.096 38.460 -0.743 0.000 1.094 234 Y HN 0.644 nan 8.280 nan 0.000 0.503 235 A N 4.987 127.578 122.820 -0.382 0.000 2.327 235 A HA 0.764 5.083 4.320 -0.001 0.000 0.283 235 A C -0.814 176.530 177.584 -0.401 0.000 1.127 235 A CA -0.486 51.492 52.037 -0.100 0.000 0.810 235 A CB 0.741 19.912 19.000 0.285 0.000 1.066 235 A HN 0.602 nan 8.150 nan 0.000 0.492 236 K N 1.685 121.992 120.400 -0.156 0.000 2.580 236 K HA 0.175 4.495 4.320 -0.001 0.000 0.258 236 K C -1.339 175.252 176.600 -0.015 0.000 0.936 236 K CA -0.355 55.817 56.287 -0.191 0.000 0.852 236 K CB 0.976 33.319 32.500 -0.262 0.000 1.329 236 K HN 0.804 nan 8.250 nan 0.000 0.430 237 N N 3.039 121.660 118.700 -0.133 0.000 2.495 237 N HA 0.612 5.352 4.740 -0.001 0.000 0.280 237 N C -1.240 174.303 175.510 0.055 0.000 1.168 237 N CA -0.124 52.684 53.050 -0.402 0.000 0.978 237 N CB 0.797 39.017 38.487 -0.446 0.000 1.191 237 N HN 0.601 nan 8.380 nan 0.000 0.497 238 W N 0.779 122.076 121.300 -0.005 0.000 3.707 238 W HA 0.673 5.333 4.660 -0.001 0.000 0.294 238 W C -1.478 175.282 176.519 0.401 0.000 1.248 238 W CA -1.030 56.417 57.345 0.170 0.000 1.217 238 W CB 0.001 29.565 29.460 0.173 0.000 1.306 238 W HN 0.583 nan 8.180 nan 0.000 0.532 239 A N 2.656 125.804 122.820 0.546 0.000 2.346 239 A HA 0.698 5.018 4.320 -0.001 0.000 0.252 239 A C 0.799 178.648 177.584 0.442 0.000 1.089 239 A CA 0.035 52.332 52.037 0.434 0.000 0.797 239 A CB -0.173 18.940 19.000 0.189 0.000 1.047 239 A HN 1.695 nan 8.150 nan 0.000 0.494 240 A N -0.667 122.213 122.820 0.101 0.000 2.504 240 A HA 0.342 4.661 4.320 -0.001 0.000 0.242 240 A C 0.382 178.038 177.584 0.121 0.000 1.100 240 A CA 1.280 53.270 52.037 -0.077 0.000 0.786 240 A CB -0.129 18.647 19.000 -0.374 0.000 1.050 240 A HN 1.725 nan 8.150 nan 0.000 0.512 241 Y N -0.246 120.088 120.300 0.056 0.000 2.640 241 Y HA 0.356 4.905 4.550 -0.001 0.000 0.274 241 Y C 0.237 176.198 175.900 0.102 0.000 1.164 241 Y CA -0.149 58.057 58.100 0.176 0.000 1.189 241 Y CB 0.007 38.587 38.460 0.200 0.000 1.333 241 Y HN 0.437 nan 8.280 nan 0.000 0.494 242 L N 1.532 122.656 121.223 -0.165 0.000 2.439 242 L HA 0.355 4.694 4.340 -0.001 0.000 0.269 242 L C 1.445 178.191 176.870 -0.206 0.000 1.179 242 L CA 0.430 55.116 54.840 -0.256 0.000 0.828 242 L CB 0.021 42.045 42.059 -0.059 0.000 1.106 242 L HN 0.596 nan 8.230 nan 0.000 0.467 243 G N 2.245 110.918 108.800 -0.211 0.000 2.661 243 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.327 243 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.327 243 G C 0.486 175.316 174.900 -0.118 0.000 1.320 243 G CA 0.533 45.546 45.100 -0.145 0.000 0.997 243 G HN 0.812 nan 8.290 nan 0.000 0.543 244 D N 1.840 122.189 120.400 -0.086 0.000 2.378 244 D HA 0.001 4.640 4.640 -0.001 0.000 0.227 244 D C 1.353 177.611 176.300 -0.069 0.000 1.012 244 D CA 0.603 54.564 54.000 -0.065 0.000 0.905 244 D CB -0.142 40.626 40.800 -0.054 0.000 0.895 244 D HN 0.357 nan 8.370 nan 0.000 0.532 245 N N 0.302 118.946 118.700 -0.094 0.000 2.234 245 N HA -0.065 4.675 4.740 -0.001 0.000 0.227 245 N C 0.051 175.475 175.510 -0.143 0.000 1.151 245 N CA -0.348 52.627 53.050 -0.124 0.000 0.865 245 N CB 0.254 38.640 38.487 -0.169 0.000 1.066 245 N HN 0.198 nan 8.380 nan 0.000 0.515 246 Y N 2.224 122.388 120.300 -0.228 0.000 2.881 246 Y HA 0.117 4.667 4.550 -0.001 0.000 0.335 246 Y C 1.491 177.143 175.900 -0.412 0.000 1.263 246 Y CA 0.903 58.843 58.100 -0.267 0.000 1.572 246 Y CB -0.089 38.243 38.460 -0.212 0.000 1.237 246 Y HN 0.423 nan 8.280 nan 0.000 0.568 247 G N 4.568 112.547 108.800 -1.369 0.000 2.198 247 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.260 247 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.260 247 G C -0.138 174.289 174.900 -0.788 0.000 1.025 247 G CA 0.352 44.251 45.100 -2.002 0.000 0.769 247 G HN 0.695 nan 8.290 nan 0.000 0.507 248 Q N -1.150 118.401 119.800 -0.415 0.000 2.348 248 Q HA 0.617 4.957 4.340 -0.001 0.000 0.271 248 Q C 0.195 176.151 176.000 -0.074 0.000 1.067 248 Q CA -1.048 54.645 55.803 -0.183 0.000 0.839 248 Q CB 1.933 30.579 28.738 -0.154 0.000 1.354 248 Q HN 0.341 nan 8.270 nan 0.000 0.447 249 I N 3.213 123.795 120.570 0.020 0.000 2.363 249 I HA -0.014 4.156 4.170 -0.001 0.000 0.292 249 I C 1.002 177.155 176.117 0.059 0.000 1.075 249 I CA 0.140 61.516 61.300 0.127 0.000 1.333 249 I CB 0.445 38.536 38.000 0.153 0.000 1.415 249 I HN 0.543 nan 8.210 nan 0.000 0.502 250 L N 4.580 125.811 121.223 0.015 0.000 2.270 250 L HA 0.071 4.410 4.340 -0.001 0.000 0.210 250 L C 0.955 177.855 176.870 0.050 0.000 1.104 250 L CA 0.565 55.349 54.840 -0.094 0.000 0.804 250 L CB -0.192 41.623 42.059 -0.408 0.000 0.937 250 L HN 0.742 nan 8.230 nan 0.000 0.450 251 S N -1.283 114.542 115.700 0.208 0.000 2.587 251 S HA 0.330 4.799 4.470 -0.001 0.000 0.269 251 S C -0.176 174.608 174.600 0.307 0.000 1.154 251 S CA -0.011 58.303 58.200 0.189 0.000 0.824 251 S CB 1.753 65.014 63.200 0.103 0.000 1.118 251 S HN 0.070 nan 8.310 nan 0.000 0.462 252 T N -1.128 113.571 114.554 0.241 0.000 3.487 252 T HA 0.298 4.648 4.350 -0.001 0.000 0.287 252 T C -0.477 174.349 174.700 0.211 0.000 1.004 252 T CA -0.308 61.928 62.100 0.227 0.000 0.977 252 T CB -0.183 68.764 68.868 0.132 0.000 1.180 252 T HN 0.612 nan 8.240 nan 0.000 0.490 253 D N 2.111 122.676 120.400 0.275 0.000 2.455 253 D HA -0.003 4.636 4.640 -0.001 0.000 0.265 253 D C 1.150 177.639 176.300 0.316 0.000 1.284 253 D CA -0.073 54.098 54.000 0.284 0.000 0.944 253 D CB 0.647 41.659 40.800 0.353 0.000 1.121 253 D HN 0.375 nan 8.370 nan 0.000 0.525 254 R N 3.305 123.919 120.500 0.190 0.000 2.339 254 R HA -0.005 4.335 4.340 -0.001 0.000 0.199 254 R C 0.896 177.279 176.300 0.139 0.000 1.018 254 R CA 0.231 56.413 56.100 0.136 0.000 1.036 254 R CB 0.114 30.452 30.300 0.063 0.000 0.899 254 R HN 0.368 nan 8.270 nan 0.000 0.473 255 N N -0.645 118.167 118.700 0.187 0.000 2.512 255 N HA -0.139 4.601 4.740 -0.001 0.000 0.183 255 N C 0.226 175.750 175.510 0.023 0.000 1.073 255 N CA 0.801 53.893 53.050 0.070 0.000 0.911 255 N CB 0.031 38.537 38.487 0.032 0.000 0.964 255 N HN 0.336 nan 8.380 nan 0.000 0.447 256 W N 0.964 122.297 121.300 0.055 0.000 3.077 256 W HA 0.176 4.836 4.660 -0.001 0.000 0.266 256 W C 0.449 176.963 176.519 -0.008 0.000 1.300 256 W CA -0.058 57.328 57.345 0.069 0.000 1.586 256 W CB -0.399 29.217 29.460 0.260 0.000 1.103 256 W HN -0.289 nan 8.180 nan 0.000 0.652 257 T N 2.155 116.796 114.554 0.146 0.000 2.792 257 T HA 0.034 4.383 4.350 -0.001 0.000 0.286 257 T C 0.471 175.173 174.700 0.003 0.000 0.970 257 T CA 0.102 62.228 62.100 0.043 0.000 1.187 257 T CB 0.399 69.264 68.868 -0.004 0.000 0.915 257 T HN -0.368 nan 8.240 nan 0.000 0.529 258 V N 5.127 125.066 119.914 0.043 0.000 2.442 258 V HA 0.287 4.407 4.120 -0.001 0.000 0.272 258 V C 1.186 177.226 176.094 -0.090 0.000 0.989 258 V CA 0.323 62.636 62.300 0.021 0.000 1.123 258 V CB -0.552 31.400 31.823 0.215 0.000 1.008 258 V HN 1.025 nan 8.190 nan 0.000 0.469 259 G N 2.721 111.453 108.800 -0.113 0.000 3.075 259 G HA2 0.329 4.289 3.960 -0.001 0.000 0.253 259 G HA3 0.329 4.289 3.960 -0.001 0.000 0.253 259 G C 0.510 175.347 174.900 -0.104 0.000 1.353 259 G CA -0.211 44.819 45.100 -0.117 0.000 1.051 259 G HN 0.465 nan 8.290 nan 0.000 0.553 260 D N -0.754 119.593 120.400 -0.089 0.000 2.178 260 D HA -0.108 4.531 4.640 -0.001 0.000 0.201 260 D C 2.269 178.530 176.300 -0.064 0.000 0.980 260 D CA 0.687 54.648 54.000 -0.066 0.000 0.842 260 D CB 0.003 40.769 40.800 -0.058 0.000 0.948 260 D HN 0.438 nan 8.370 nan 0.000 0.472 261 R N -0.027 120.421 120.500 -0.086 0.000 2.094 261 R HA -0.221 4.119 4.340 -0.001 0.000 0.239 261 R C 2.164 178.391 176.300 -0.122 0.000 1.137 261 R CA 1.906 57.947 56.100 -0.098 0.000 0.943 261 R CB -0.034 30.196 30.300 -0.116 0.000 0.850 261 R HN 0.147 nan 8.270 nan 0.000 0.433 262 Q N -0.579 119.101 119.800 -0.199 0.000 2.123 262 Q HA -0.031 4.308 4.340 -0.001 0.000 0.199 262 Q C 2.107 178.096 176.000 -0.019 0.000 0.966 262 Q CA 1.336 56.949 55.803 -0.316 0.000 0.845 262 Q CB -0.029 28.191 28.738 -0.863 0.000 0.907 262 Q HN 0.274 nan 8.270 nan 0.000 0.439 263 M N 0.318 119.957 119.600 0.065 0.000 2.108 263 M HA -0.105 4.374 4.480 -0.001 0.000 0.261 263 M C 2.226 178.588 176.300 0.103 0.000 1.066 263 M CA 1.697 57.101 55.300 0.173 0.000 1.107 263 M CB -1.351 31.306 32.600 0.096 0.000 1.356 263 M HN 0.318 nan 8.290 nan 0.000 0.406 264 A N -0.075 122.767 122.820 0.037 0.000 1.927 264 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 264 A C 2.345 179.950 177.584 0.034 0.000 1.185 264 A CA 2.100 54.148 52.037 0.018 0.000 0.639 264 A CB -1.063 17.932 19.000 -0.007 0.000 0.820 264 A HN 0.340 nan 8.150 nan 0.000 0.451 265 V N 0.719 120.665 119.914 0.053 0.000 3.141 265 V HA -0.075 4.044 4.120 -0.001 0.000 0.265 265 V C 1.665 177.819 176.094 0.099 0.000 1.126 265 V CA 1.435 63.775 62.300 0.068 0.000 1.141 265 V CB -1.669 30.195 31.823 0.068 0.000 0.743 265 V HN 0.813 nan 8.190 nan 0.000 0.492 266 T N -1.936 112.694 114.554 0.126 0.000 2.816 266 T HA 0.084 4.434 4.350 -0.001 0.000 0.282 266 T C 0.452 175.169 174.700 0.029 0.000 0.993 266 T CA -0.500 61.657 62.100 0.095 0.000 0.994 266 T CB 0.545 69.475 68.868 0.104 0.000 1.025 266 T HN 0.334 nan 8.240 nan 0.000 0.529 267 N N 1.354 120.054 118.700 -0.000 0.000 3.210 267 N HA -0.062 4.678 4.740 -0.001 0.000 0.314 267 N C 0.378 175.837 175.510 -0.085 0.000 1.291 267 N CA -0.018 53.013 53.050 -0.031 0.000 1.202 267 N CB -1.015 37.456 38.487 -0.027 0.000 1.475 267 N HN 0.847 nan 8.380 nan 0.000 0.554 268 N N 0.293 118.949 118.700 -0.073 0.000 2.714 268 N HA -0.233 4.507 4.740 -0.001 0.000 0.252 268 N C -0.463 174.910 175.510 -0.228 0.000 1.014 268 N CA -0.007 52.971 53.050 -0.120 0.000 0.735 268 N CB -0.597 37.811 38.487 -0.131 0.000 0.924 268 N HN 0.467 nan 8.380 nan 0.000 0.540 269 A N 0.812 123.530 122.820 -0.170 0.000 2.406 269 A HA 0.338 4.658 4.320 -0.001 0.000 0.243 269 A C -0.155 177.287 177.584 -0.238 0.000 1.082 269 A CA 0.038 51.927 52.037 -0.247 0.000 0.786 269 A CB 0.227 19.168 19.000 -0.099 0.000 1.029 269 A HN 0.419 nan 8.150 nan 0.000 0.495 270 Y N -0.859 119.271 120.300 -0.284 0.000 2.307 270 Y HA 0.405 4.954 4.550 -0.001 0.000 0.324 270 Y C -0.029 175.893 175.900 0.037 0.000 1.238 270 Y CA 0.209 58.206 58.100 -0.172 0.000 1.280 270 Y CB 0.975 39.214 38.460 -0.367 0.000 1.248 270 Y HN 0.590 nan 8.280 nan 0.000 0.508 271 F N 3.818 123.865 119.950 0.160 0.000 2.436 271 F HA 0.621 5.147 4.527 -0.001 0.000 0.340 271 F C -0.991 174.881 175.800 0.120 0.000 1.113 271 F CA -1.075 57.002 58.000 0.129 0.000 1.022 271 F CB 0.662 39.720 39.000 0.096 0.000 1.128 271 F HN 0.376 nan 8.300 nan 0.000 0.466 272 M N 5.797 124.951 119.600 -0.744 0.000 2.591 272 M HA 0.394 4.873 4.480 -0.001 0.000 0.306 272 M C -1.520 174.262 176.300 -0.863 0.000 1.190 272 M CA -0.719 54.263 55.300 -0.532 0.000 0.889 272 M CB 2.391 34.956 32.600 -0.057 0.000 1.728 272 M HN 0.614 nan 8.290 nan 0.000 0.458 273 H N 0.280 118.980 119.070 -0.617 0.000 3.140 273 H HA 0.171 4.726 4.556 -0.001 0.000 0.336 273 H C 0.033 175.168 175.328 -0.323 0.000 1.142 273 H CA -0.766 54.929 56.048 -0.589 0.000 1.308 273 H CB 1.703 31.244 29.762 -0.369 0.000 1.970 273 H HN 1.041 nan 8.280 nan 0.000 0.521 274 C N 2.936 122.080 119.300 -0.261 0.000 2.432 274 C HA 0.239 4.699 4.460 -0.001 0.000 0.282 274 C C 0.680 175.757 174.990 0.144 0.000 1.388 274 C CA 0.008 59.007 59.018 -0.032 0.000 1.777 274 C CB -1.345 26.340 27.740 -0.091 0.000 1.882 274 C HN 0.651 nan 8.230 nan 0.000 0.520 275 L N -1.154 120.311 121.223 0.402 0.000 0.588 275 L HA -0.079 4.261 4.340 -0.001 0.000 0.356 275 L C -2.291 174.674 176.870 0.159 0.000 1.005 275 L CA 0.277 55.219 54.840 0.170 0.000 1.223 275 L CB -1.611 40.491 42.059 0.072 0.000 0.021 275 L HN 0.147 nan 8.230 nan 0.000 0.093 276 P HA 0.387 nan 4.420 nan 0.000 0.269 276 P C -1.076 176.206 177.300 -0.028 0.000 1.217 276 P CA -0.254 62.878 63.100 0.053 0.000 0.783 276 P CB 0.587 32.334 31.700 0.078 0.000 0.898 277 V N 1.882 121.707 119.914 -0.148 0.000 2.686 277 V HA 0.409 4.529 4.120 -0.001 0.000 0.306 277 V C -0.004 175.997 176.094 -0.155 0.000 1.065 277 V CA -0.804 61.309 62.300 -0.313 0.000 0.894 277 V CB 2.021 33.523 31.823 -0.536 0.000 1.004 277 V HN 0.368 nan 8.190 nan 0.000 0.424 278 R N 3.224 123.649 120.500 -0.125 0.000 2.196 278 R HA 0.459 4.798 4.340 -0.001 0.000 0.340 278 R C 0.017 176.244 176.300 -0.122 0.000 1.043 278 R CA -0.519 55.507 56.100 -0.124 0.000 0.883 278 R CB 0.872 31.058 30.300 -0.190 0.000 1.078 278 R HN 0.615 nan 8.270 nan 0.000 0.462 279 R N 2.566 123.004 120.500 -0.103 0.000 2.623 279 R HA -0.017 4.322 4.340 -0.001 0.000 0.271 279 R C 0.220 176.465 176.300 -0.091 0.000 1.043 279 R CA -0.095 55.948 56.100 -0.095 0.000 1.083 279 R CB 0.280 30.532 30.300 -0.079 0.000 0.974 279 R HN 0.712 nan 8.270 nan 0.000 0.436 280 N N 1.073 119.720 118.700 -0.090 0.000 2.741 280 N HA -0.201 4.538 4.740 -0.001 0.000 0.250 280 N C -0.182 175.281 175.510 -0.078 0.000 1.115 280 N CA 1.179 54.182 53.050 -0.078 0.000 0.724 280 N CB -0.391 38.056 38.487 -0.066 0.000 1.090 280 N HN 0.576 nan 8.380 nan 0.000 0.558 281 M N -1.365 118.179 119.600 -0.092 0.000 2.199 281 M HA 0.241 4.721 4.480 -0.001 0.000 0.191 281 M C 1.572 177.812 176.300 -0.100 0.000 1.744 281 M CA 0.325 55.560 55.300 -0.109 0.000 1.005 281 M CB -0.197 32.304 32.600 -0.166 0.000 1.478 281 M HN -0.052 nan 8.290 nan 0.000 0.585 282 I N -0.519 120.001 120.570 -0.084 0.000 2.429 282 I HA 0.134 4.304 4.170 -0.001 0.000 0.247 282 I C 0.920 177.049 176.117 0.020 0.000 1.099 282 I CA 0.831 62.117 61.300 -0.024 0.000 1.422 282 I CB -0.076 37.949 38.000 0.041 0.000 1.112 282 I HN 0.069 nan 8.210 nan 0.000 0.430 283 V N -0.122 119.766 119.914 -0.043 0.000 3.012 283 V HA 0.371 4.490 4.120 -0.001 0.000 0.307 283 V C -0.298 175.696 176.094 -0.168 0.000 1.166 283 V CA -0.478 61.737 62.300 -0.142 0.000 0.974 283 V CB 2.184 33.819 31.823 -0.315 0.000 1.040 283 V HN 0.225 nan 8.190 nan 0.000 0.428 284 T N 3.861 118.303 114.554 -0.188 0.000 2.903 284 T HA 0.070 4.420 4.350 -0.001 0.000 0.314 284 T C 0.793 175.404 174.700 -0.149 0.000 1.078 284 T CA 0.290 62.302 62.100 -0.146 0.000 1.114 284 T CB 0.408 69.195 68.868 -0.135 0.000 0.987 284 T HN 0.836 nan 8.240 nan 0.000 0.548 285 D N 1.455 121.792 120.400 -0.105 0.000 2.104 285 D HA -0.119 4.521 4.640 -0.001 0.000 0.194 285 D C 1.775 178.021 176.300 -0.090 0.000 0.994 285 D CA 1.233 55.181 54.000 -0.087 0.000 0.830 285 D CB -0.051 40.711 40.800 -0.063 0.000 0.959 285 D HN 0.548 nan 8.370 nan 0.000 0.452 286 D N 0.291 120.639 120.400 -0.086 0.000 2.123 286 D HA -0.111 4.528 4.640 -0.001 0.000 0.196 286 D C 2.335 178.576 176.300 -0.098 0.000 0.992 286 D CA 0.588 54.542 54.000 -0.076 0.000 0.833 286 D CB -0.163 40.597 40.800 -0.066 0.000 0.954 286 D HN 0.111 nan 8.370 nan 0.000 0.455 287 V N 1.645 121.465 119.914 -0.156 0.000 2.295 287 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 287 V C 2.558 178.508 176.094 -0.241 0.000 1.049 287 V CA 1.035 63.202 62.300 -0.222 0.000 1.024 287 V CB -0.339 31.260 31.823 -0.372 0.000 0.648 287 V HN 0.155 nan 8.190 nan 0.000 0.447 288 I N -0.152 120.254 120.570 -0.272 0.000 2.493 288 I HA -0.208 3.961 4.170 -0.001 0.000 0.254 288 I C 2.325 178.429 176.117 -0.022 0.000 1.160 288 I CA 1.522 62.743 61.300 -0.132 0.000 1.445 288 I CB 0.016 37.959 38.000 -0.095 0.000 1.086 288 I HN 0.434 nan 8.210 nan 0.000 0.433 289 E N 0.184 120.358 120.200 -0.043 0.000 2.442 289 E HA -0.013 4.337 4.350 -0.001 0.000 0.195 289 E C 1.019 177.620 176.600 0.002 0.000 1.030 289 E CA 0.237 56.630 56.400 -0.012 0.000 0.869 289 E CB 0.106 29.792 29.700 -0.022 0.000 0.857 289 E HN 0.490 nan 8.360 nan 0.000 0.505 290 S N 1.736 117.432 115.700 -0.006 0.000 2.580 290 S HA 0.048 4.518 4.470 -0.001 0.000 0.266 290 S C -1.360 173.269 174.600 0.047 0.000 1.354 290 S CA -1.075 57.132 58.200 0.011 0.000 1.008 290 S CB 0.758 63.957 63.200 -0.001 0.000 0.898 290 S HN -0.124 nan 8.310 nan 0.000 0.555 291 P HA -0.008 nan 4.420 nan 0.000 0.233 291 P C 0.610 177.990 177.300 0.134 0.000 1.167 291 P CA 0.797 63.948 63.100 0.085 0.000 0.770 291 P CB 0.034 31.775 31.700 0.069 0.000 0.837 292 Q N -0.282 119.589 119.800 0.118 0.000 2.451 292 Q HA 0.070 4.409 4.340 -0.001 0.000 0.206 292 Q C 1.030 177.195 176.000 0.274 0.000 0.947 292 Q CA 0.312 56.219 55.803 0.174 0.000 0.937 292 Q CB -0.551 28.217 28.738 0.050 0.000 1.025 292 Q HN 0.071 nan 8.270 nan 0.000 0.511 293 S N 0.938 116.762 115.700 0.207 0.000 2.422 293 S HA 0.230 4.699 4.470 -0.001 0.000 0.283 293 S C 0.602 175.275 174.600 0.123 0.000 1.163 293 S CA -0.519 57.823 58.200 0.237 0.000 1.054 293 S CB -0.103 63.224 63.200 0.210 0.000 0.967 293 S HN 0.414 nan 8.310 nan 0.000 0.499 294 I N 3.477 124.061 120.570 0.023 0.000 3.856 294 I HA 0.288 4.457 4.170 -0.001 0.000 0.333 294 I C 1.161 177.209 176.117 -0.115 0.000 1.525 294 I CA -0.362 60.831 61.300 -0.178 0.000 1.173 294 I CB 0.003 37.620 38.000 -0.638 0.000 1.175 294 I HN 0.366 nan 8.210 nan 0.000 0.424 295 V N 1.454 121.368 119.914 -0.001 0.000 2.278 295 V HA -0.305 3.814 4.120 -0.001 0.000 0.251 295 V C 2.419 178.507 176.094 -0.009 0.000 1.062 295 V CA 2.389 64.694 62.300 0.008 0.000 1.038 295 V CB -0.239 31.635 31.823 0.085 0.000 0.646 295 V HN 0.494 nan 8.190 nan 0.000 0.447 296 I N -0.576 119.995 120.570 0.001 0.000 2.193 296 I HA -0.067 4.102 4.170 -0.001 0.000 0.240 296 I C -0.148 175.964 176.117 -0.008 0.000 1.084 296 I CA 1.598 62.899 61.300 0.003 0.000 1.365 296 I CB -1.672 36.339 38.000 0.018 0.000 1.064 296 I HN 0.303 nan 8.210 nan 0.000 0.410 297 P HA -0.229 nan 4.420 nan 0.000 0.216 297 P C 1.627 178.911 177.300 -0.026 0.000 1.150 297 P CA 1.531 64.636 63.100 0.010 0.000 0.843 297 P CB 0.015 31.722 31.700 0.012 0.000 0.787 298 E N -0.258 119.898 120.200 -0.073 0.000 2.017 298 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 298 E C 1.994 178.558 176.600 -0.060 0.000 0.997 298 E CA 1.436 57.792 56.400 -0.073 0.000 0.804 298 E CB -0.698 28.959 29.700 -0.071 0.000 0.757 298 E HN 0.045 nan 8.360 nan 0.000 0.448 299 A N 1.316 124.113 122.820 -0.039 0.000 1.917 299 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 299 A C 2.449 180.009 177.584 -0.040 0.000 1.182 299 A CA 2.308 54.328 52.037 -0.029 0.000 0.633 299 A CB -1.036 17.961 19.000 -0.006 0.000 0.819 299 A HN 0.479 nan 8.150 nan 0.000 0.448 300 A N 0.125 122.924 122.820 -0.034 0.000 1.908 300 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 300 A C 1.846 179.382 177.584 -0.079 0.000 1.181 300 A CA 1.802 53.816 52.037 -0.039 0.000 0.627 300 A CB -0.964 18.027 19.000 -0.016 0.000 0.818 300 A HN 0.739 nan 8.150 nan 0.000 0.445 301 N N -0.976 117.663 118.700 -0.102 0.000 2.519 301 N HA -0.115 4.624 4.740 -0.001 0.000 0.186 301 N C 1.649 177.025 175.510 -0.222 0.000 1.062 301 N CA 0.180 53.123 53.050 -0.177 0.000 0.910 301 N CB -0.050 38.322 38.487 -0.190 0.000 0.958 301 N HN 0.259 nan 8.380 nan 0.000 0.445 302 R N 1.212 121.617 120.500 -0.159 0.000 2.152 302 R HA -0.124 4.215 4.340 -0.001 0.000 0.232 302 R C 1.796 178.002 176.300 -0.157 0.000 1.117 302 R CA 0.828 56.837 56.100 -0.151 0.000 0.981 302 R CB -0.377 29.879 30.300 -0.074 0.000 0.870 302 R HN 0.521 nan 8.270 nan 0.000 0.451 303 E N 0.202 120.317 120.200 -0.143 0.000 2.106 303 E HA -0.150 4.199 4.350 -0.001 0.000 0.192 303 E C 1.640 178.113 176.600 -0.210 0.000 0.984 303 E CA 0.827 57.141 56.400 -0.144 0.000 0.806 303 E CB 0.086 29.715 29.700 -0.118 0.000 0.750 303 E HN 0.058 nan 8.360 nan 0.000 0.458 304 I N 1.230 121.643 120.570 -0.261 0.000 2.133 304 I HA -0.276 3.893 4.170 -0.001 0.000 0.238 304 I C 2.665 178.519 176.117 -0.438 0.000 1.074 304 I CA 1.576 62.676 61.300 -0.334 0.000 1.342 304 I CB -0.873 36.898 38.000 -0.383 0.000 1.053 304 I HN 0.144 nan 8.210 nan 0.000 0.404 305 S N 1.006 116.355 115.700 -0.585 0.000 2.387 305 S HA -0.261 4.208 4.470 -0.001 0.000 0.230 305 S C 2.196 176.559 174.600 -0.396 0.000 1.035 305 S CA 1.262 58.992 58.200 -0.784 0.000 1.014 305 S CB -1.112 61.644 63.200 -0.739 0.000 0.836 305 S HN 0.414 nan 8.310 nan 0.000 0.466 306 A N 1.604 124.242 122.820 -0.304 0.000 1.898 306 A HA 0.021 4.340 4.320 -0.001 0.000 0.216 306 A C 2.447 179.848 177.584 -0.305 0.000 1.181 306 A CA 1.866 53.733 52.037 -0.283 0.000 0.620 306 A CB -1.512 17.378 19.000 -0.183 0.000 0.819 306 A HN 0.563 nan 8.150 nan 0.000 0.442 307 T N -0.300 114.096 114.554 -0.263 0.000 2.821 307 T HA -0.093 4.257 4.350 -0.001 0.000 0.267 307 T C 1.885 176.439 174.700 -0.244 0.000 1.046 307 T CA 1.511 63.470 62.100 -0.236 0.000 1.139 307 T CB -0.344 68.393 68.868 -0.218 0.000 0.871 307 T HN 0.151 nan 8.240 nan 0.000 0.454 308 V N 1.193 120.960 119.914 -0.245 0.000 2.261 308 V HA -0.141 3.978 4.120 -0.001 0.000 0.246 308 V C 2.665 178.632 176.094 -0.213 0.000 1.047 308 V CA 1.329 63.518 62.300 -0.185 0.000 1.015 308 V CB -0.729 31.058 31.823 -0.061 0.000 0.642 308 V HN 0.300 nan 8.190 nan 0.000 0.446 309 V N -0.538 119.196 119.914 -0.300 0.000 2.295 309 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 309 V C 2.406 178.259 176.094 -0.402 0.000 1.049 309 V CA 1.806 63.805 62.300 -0.502 0.000 1.024 309 V CB -0.618 30.659 31.823 -0.910 0.000 0.648 309 V HN 0.397 nan 8.190 nan 0.000 0.447 310 L N 0.160 121.141 121.223 -0.402 0.000 2.079 310 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 310 L C 2.428 179.184 176.870 -0.191 0.000 1.081 310 L CA 2.071 56.728 54.840 -0.305 0.000 0.752 310 L CB -0.972 40.922 42.059 -0.275 0.000 0.896 310 L HN 0.379 nan 8.230 nan 0.000 0.433 311 K N -1.027 119.251 120.400 -0.204 0.000 2.002 311 K HA -0.182 4.137 4.320 -0.001 0.000 0.209 311 K C 2.231 178.737 176.600 -0.156 0.000 1.048 311 K CA 1.084 57.257 56.287 -0.190 0.000 0.930 311 K CB -0.051 32.280 32.500 -0.281 0.000 0.714 311 K HN 0.111 nan 8.250 nan 0.000 0.438 312 R N 0.870 121.273 120.500 -0.163 0.000 2.103 312 R HA -0.153 4.186 4.340 -0.001 0.000 0.242 312 R C 2.450 178.711 176.300 -0.065 0.000 1.142 312 R CA 1.409 57.442 56.100 -0.112 0.000 0.960 312 R CB -0.978 29.252 30.300 -0.117 0.000 0.858 312 R HN 0.356 nan 8.270 nan 0.000 0.439 313 L N 0.524 121.704 121.223 -0.072 0.000 2.046 313 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 313 L C 2.609 179.478 176.870 -0.001 0.000 1.077 313 L CA 1.116 55.947 54.840 -0.014 0.000 0.747 313 L CB -0.519 41.540 42.059 0.001 0.000 0.896 313 L HN 0.129 nan 8.230 nan 0.000 0.432 314 L N -0.348 120.863 121.223 -0.020 0.000 1.989 314 L HA -0.237 4.103 4.340 -0.001 0.000 0.211 314 L C 2.553 179.425 176.870 0.003 0.000 1.071 314 L CA 1.462 56.300 54.840 -0.002 0.000 0.749 314 L CB -0.589 41.463 42.059 -0.012 0.000 0.890 314 L HN 0.289 nan 8.230 nan 0.000 0.431 315 E N -0.373 119.819 120.200 -0.013 0.000 2.273 315 E HA -0.247 4.103 4.350 -0.001 0.000 0.198 315 E C 1.384 177.998 176.600 0.023 0.000 1.002 315 E CA 0.897 57.297 56.400 0.001 0.000 0.828 315 E CB -0.234 29.453 29.700 -0.022 0.000 0.747 315 E HN 0.436 nan 8.360 nan 0.000 0.491 316 N N 0.347 119.063 118.700 0.026 0.000 2.203 316 N HA 0.059 4.798 4.740 -0.001 0.000 0.207 316 N C -0.170 175.354 175.510 0.023 0.000 1.130 316 N CA -0.109 52.963 53.050 0.037 0.000 0.861 316 N CB 0.505 39.023 38.487 0.051 0.000 1.005 316 N HN 0.068 nan 8.380 nan 0.000 0.507 317 L N 2.941 124.179 121.223 0.024 0.000 2.456 317 L HA 0.161 4.501 4.340 -0.001 0.000 0.272 317 L C -1.169 175.712 176.870 0.018 0.000 1.189 317 L CA -1.060 53.795 54.840 0.025 0.000 0.846 317 L CB 0.175 42.252 42.059 0.031 0.000 1.111 317 L HN 0.124 nan 8.230 nan 0.000 0.475 318 P HA 0.000 nan 4.420 nan 0.000 0.216 318 P CA 0.000 63.105 63.100 0.009 0.000 0.800 318 P CB 0.000 31.703 31.700 0.006 0.000 0.726