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 2xr8_1_Q DATA FIRST_RESID 18 DATA SEQUENCE NWTPEAIRGL VDQEKGLLDP RIYADQSLYE LELERVFGRS WLLLGHESHV DATA SEQUENCE PETGDFLATY MGEDPVVMVR QKDKSIKVFL NQCRHRGMRI CRSDAGNAKA DATA SEQUENCE FTCSYHGWAY DIAGKLVNVP FEKEAFXXXX XXXXXFDKAE WGPLQARVAT DATA SEQUENCE YKGLVFANWD VQAPDLETYL GDARPYMDVM LDRTPAGTVA IGGMQKWVIP DATA SEQUENCE CNWKFAAEQF CSDMYHAGTT THLSGILAGI PPEMDLSQAQ IPTKGNQFRA DATA SEQUENCE AWGGHGSGWY VDEPGSLLAV MGPKVTQYWT EGPAAELAEQ RLGHTGMPVR DATA SEQUENCE RMVGQHMTIF PTCSFLPTFN NIRIWHPRGP NEIEVWAFTL VDADAPAEIK DATA SEQUENCE EEYRRHNIRN FSAGGVFEQD DGENWVEIQK GLRGYKAKSQ PLNAQMGLGR DATA SEQUENCE SQTGHPDFPG NVGYVYAEEA ARGMYHHWMR MMSEPSWATL KP 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 18 N HA 0.000 nan 4.740 nan 0.000 0.220 18 N C 0.000 175.412 175.510 -0.163 0.000 1.280 18 N CA 0.000 52.976 53.050 -0.124 0.000 0.885 18 N CB 0.000 38.351 38.487 -0.226 0.000 1.341 19 W N 3.604 124.901 121.300 -0.005 0.000 2.585 19 W HA 0.253 4.912 4.660 -0.001 0.000 0.337 19 W C 0.525 177.026 176.519 -0.030 0.000 1.226 19 W CA -0.156 57.181 57.345 -0.013 0.000 1.463 19 W CB 0.273 29.725 29.460 -0.013 0.000 1.458 19 W HN -0.012 nan 8.180 nan 0.000 0.458 20 T N 1.235 115.888 114.554 0.165 0.000 2.868 20 T HA 0.181 4.531 4.350 -0.001 0.000 0.292 20 T C -1.632 173.126 174.700 0.097 0.000 1.028 20 T CA -1.523 60.632 62.100 0.092 0.000 1.059 20 T CB 1.356 70.248 68.868 0.040 0.000 0.991 20 T HN 0.077 nan 8.240 nan 0.000 0.531 21 P HA -0.131 nan 4.420 nan 0.000 0.215 21 P C 1.449 178.757 177.300 0.013 0.000 1.157 21 P CA 1.190 64.288 63.100 -0.002 0.000 0.874 21 P CB 0.082 31.768 31.700 -0.023 0.000 0.790 22 E N -0.639 119.577 120.200 0.027 0.000 2.153 22 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 22 E C 1.905 178.547 176.600 0.069 0.000 0.988 22 E CA 1.061 57.481 56.400 0.033 0.000 0.811 22 E CB -0.478 29.236 29.700 0.024 0.000 0.746 22 E HN 0.082 nan 8.360 nan 0.000 0.466 23 A N 0.589 123.479 122.820 0.117 0.000 1.930 23 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 23 A C 2.066 179.826 177.584 0.294 0.000 1.175 23 A CA 0.942 53.113 52.037 0.222 0.000 0.627 23 A CB -0.381 18.777 19.000 0.263 0.000 0.815 23 A HN 0.302 nan 8.150 nan 0.000 0.443 24 I N -1.013 119.667 120.570 0.184 0.000 2.353 24 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 24 I C 2.557 178.669 176.117 -0.008 0.000 1.119 24 I CA 0.837 62.146 61.300 0.014 0.000 1.417 24 I CB -0.258 37.662 38.000 -0.133 0.000 1.078 24 I HN 0.231 nan 8.210 nan 0.000 0.421 25 R N 0.676 121.175 120.500 -0.002 0.000 2.193 25 R HA -0.091 4.248 4.340 -0.001 0.000 0.229 25 R C 2.150 178.471 176.300 0.034 0.000 1.110 25 R CA 1.218 57.317 56.100 -0.002 0.000 0.988 25 R CB -0.482 29.815 30.300 -0.005 0.000 0.871 25 R HN 0.429 nan 8.270 nan 0.000 0.458 26 G N 0.174 109.010 108.800 0.061 0.000 2.813 26 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.209 26 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.209 26 G C 1.292 176.228 174.900 0.061 0.000 1.150 26 G CA -0.097 45.042 45.100 0.065 0.000 0.785 26 G HN 0.130 nan 8.290 nan 0.000 0.535 27 L N -0.056 121.204 121.223 0.062 0.000 2.209 27 L HA 0.161 4.500 4.340 -0.001 0.000 0.207 27 L C 0.465 177.320 176.870 -0.024 0.000 1.094 27 L CA 0.267 55.122 54.840 0.024 0.000 0.790 27 L CB 0.015 42.092 42.059 0.030 0.000 0.932 27 L HN -0.052 nan 8.230 nan 0.000 0.447 28 V N -0.638 119.290 119.914 0.022 0.000 2.628 28 V HA 0.375 4.494 4.120 -0.001 0.000 0.306 28 V C -1.163 174.949 176.094 0.031 0.000 1.045 28 V CA -0.634 61.670 62.300 0.007 0.000 0.905 28 V CB 2.163 34.038 31.823 0.087 0.000 0.997 28 V HN -0.015 nan 8.190 nan 0.000 0.436 29 D N 2.110 122.516 120.400 0.010 0.000 2.328 29 D HA 0.225 4.865 4.640 -0.001 0.000 0.243 29 D C 0.709 177.011 176.300 0.004 0.000 1.324 29 D CA -0.391 53.620 54.000 0.018 0.000 0.966 29 D CB 1.699 42.498 40.800 -0.000 0.000 1.324 29 D HN 0.670 nan 8.370 nan 0.000 0.549 30 Q N 1.374 121.182 119.800 0.014 0.000 2.297 30 Q HA -0.063 4.276 4.340 -0.001 0.000 0.204 30 Q C 0.683 176.654 176.000 -0.049 0.000 0.962 30 Q CA 0.942 56.728 55.803 -0.028 0.000 0.879 30 Q CB 0.300 28.985 28.738 -0.089 0.000 0.947 30 Q HN 0.176 nan 8.270 nan 0.000 0.462 31 E N 1.752 121.927 120.200 -0.042 0.000 2.015 31 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 31 E C 1.599 178.184 176.600 -0.026 0.000 0.991 31 E CA 1.442 57.820 56.400 -0.036 0.000 0.802 31 E CB 0.121 29.804 29.700 -0.027 0.000 0.759 31 E HN 0.358 nan 8.360 nan 0.000 0.447 32 K N -1.018 119.370 120.400 -0.020 0.000 2.432 32 K HA 0.121 4.441 4.320 -0.001 0.000 0.196 32 K C 0.465 177.051 176.600 -0.023 0.000 1.038 32 K CA 0.587 56.863 56.287 -0.018 0.000 0.986 32 K CB 0.323 32.814 32.500 -0.015 0.000 0.782 32 K HN 0.264 nan 8.250 nan 0.000 0.485 33 G N 2.097 110.881 108.800 -0.027 0.000 2.368 33 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.290 33 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.290 33 G C -0.453 174.421 174.900 -0.043 0.000 1.098 33 G CA -0.137 44.944 45.100 -0.031 0.000 1.073 33 G HN 0.141 nan 8.290 nan 0.000 0.511 34 L N -0.693 120.497 121.223 -0.054 0.000 2.422 34 L HA 0.786 5.126 4.340 -0.001 0.000 0.264 34 L C 0.123 176.924 176.870 -0.116 0.000 0.984 34 L CA -1.143 53.655 54.840 -0.070 0.000 0.819 34 L CB 2.261 44.292 42.059 -0.047 0.000 1.330 34 L HN 0.114 nan 8.230 nan 0.000 0.410 35 L N 1.561 122.692 121.223 -0.154 0.000 2.381 35 L HA 0.433 4.772 4.340 -0.001 0.000 0.274 35 L C -0.752 176.010 176.870 -0.180 0.000 0.988 35 L CA -0.594 54.096 54.840 -0.249 0.000 0.824 35 L CB 2.180 43.986 42.059 -0.422 0.000 1.263 35 L HN 0.500 nan 8.230 nan 0.000 0.410 36 D N 5.399 125.691 120.400 -0.181 0.000 2.339 36 D HA 0.112 4.752 4.640 -0.001 0.000 0.256 36 D C -1.548 174.654 176.300 -0.162 0.000 1.214 36 D CA -1.622 52.306 54.000 -0.120 0.000 0.877 36 D CB 1.655 42.416 40.800 -0.065 0.000 1.111 36 D HN 0.261 nan 8.370 nan 0.000 0.478 37 P HA -0.067 nan 4.420 nan 0.000 0.236 37 P C 0.927 178.244 177.300 0.028 0.000 1.172 37 P CA 0.430 63.560 63.100 0.051 0.000 0.759 37 P CB 0.280 32.029 31.700 0.082 0.000 0.843 38 R N 0.183 120.665 120.500 -0.031 0.000 2.235 38 R HA 0.009 4.349 4.340 -0.001 0.000 0.213 38 R C 2.403 178.639 176.300 -0.108 0.000 1.059 38 R CA 0.739 56.843 56.100 0.008 0.000 0.997 38 R CB -0.763 29.601 30.300 0.107 0.000 0.884 38 R HN 0.349 nan 8.270 nan 0.000 0.462 39 I N -2.746 117.614 120.570 -0.349 0.000 2.493 39 I HA -0.215 3.954 4.170 -0.001 0.000 0.254 39 I C 0.995 176.736 176.117 -0.627 0.000 1.160 39 I CA 1.459 62.396 61.300 -0.604 0.000 1.445 39 I CB -0.301 37.055 38.000 -1.074 0.000 1.086 39 I HN 0.023 nan 8.210 nan 0.000 0.433 40 Y N 1.007 121.108 120.300 -0.332 0.000 2.482 40 Y HA 0.432 4.982 4.550 -0.001 0.000 0.270 40 Y C 2.327 178.156 175.900 -0.118 0.000 1.152 40 Y CA 0.285 58.179 58.100 -0.343 0.000 1.292 40 Y CB 0.200 38.409 38.460 -0.417 0.000 1.070 40 Y HN 0.251 nan 8.280 nan 0.000 0.528 41 A N -1.119 121.746 122.820 0.074 0.000 2.242 41 A HA 0.112 4.431 4.320 -0.001 0.000 0.205 41 A C -0.282 177.366 177.584 0.106 0.000 1.353 41 A CA -0.201 51.896 52.037 0.100 0.000 1.005 41 A CB 0.049 19.118 19.000 0.115 0.000 1.127 41 A HN 0.178 nan 8.150 nan 0.000 0.498 42 D N -0.026 120.444 120.400 0.117 0.000 2.339 42 D HA 0.308 4.947 4.640 -0.001 0.000 0.256 42 D C 1.122 177.544 176.300 0.204 0.000 1.214 42 D CA 0.024 54.132 54.000 0.180 0.000 0.877 42 D CB 1.095 42.034 40.800 0.232 0.000 1.111 42 D HN 0.212 nan 8.370 nan 0.000 0.478 43 Q N 2.193 122.113 119.800 0.199 0.000 2.124 43 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 43 Q C 1.782 177.938 176.000 0.261 0.000 0.977 43 Q CA 1.949 57.879 55.803 0.211 0.000 0.850 43 Q CB -0.163 28.666 28.738 0.152 0.000 0.901 43 Q HN 0.513 nan 8.270 nan 0.000 0.429 44 S N -1.006 114.855 115.700 0.269 0.000 2.428 44 S HA -0.038 4.431 4.470 -0.001 0.000 0.230 44 S C 1.907 176.647 174.600 0.233 0.000 1.014 44 S CA 0.643 59.011 58.200 0.280 0.000 0.957 44 S CB -0.354 63.055 63.200 0.349 0.000 0.784 44 S HN 0.441 nan 8.310 nan 0.000 0.499 45 L N -0.389 120.934 121.223 0.167 0.000 2.093 45 L HA -0.004 4.335 4.340 -0.001 0.000 0.208 45 L C 2.602 179.553 176.870 0.136 0.000 1.085 45 L CA 1.646 56.467 54.840 -0.031 0.000 0.755 45 L CB -0.613 41.357 42.059 -0.149 0.000 0.904 45 L HN 0.362 nan 8.230 nan 0.000 0.435 46 Y N 1.346 121.721 120.300 0.124 0.000 2.128 46 Y HA -0.300 4.249 4.550 -0.001 0.000 0.284 46 Y C 2.401 178.389 175.900 0.147 0.000 1.154 46 Y CA 1.894 60.101 58.100 0.179 0.000 1.149 46 Y CB -0.170 38.384 38.460 0.157 0.000 0.976 46 Y HN 0.185 nan 8.280 nan 0.000 0.505 47 E N -0.329 119.907 120.200 0.060 0.000 2.153 47 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 47 E C 1.981 178.536 176.600 -0.074 0.000 0.988 47 E CA 1.179 57.553 56.400 -0.042 0.000 0.811 47 E CB -0.289 29.457 29.700 0.077 0.000 0.746 47 E HN 0.398 nan 8.360 nan 0.000 0.466 48 L N 1.146 122.348 121.223 -0.034 0.000 2.156 48 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 48 L C 1.908 178.723 176.870 -0.091 0.000 1.095 48 L CA 1.589 56.390 54.840 -0.065 0.000 0.770 48 L CB -0.037 41.972 42.059 -0.083 0.000 0.914 48 L HN 0.045 nan 8.230 nan 0.000 0.439 49 E N -0.708 119.462 120.200 -0.050 0.000 2.077 49 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 49 E C 2.230 178.874 176.600 0.073 0.000 0.989 49 E CA 1.235 57.661 56.400 0.044 0.000 0.800 49 E CB -0.189 29.697 29.700 0.309 0.000 0.746 49 E HN 0.470 nan 8.360 nan 0.000 0.452 50 L N 0.758 121.945 121.223 -0.059 0.000 2.127 50 L HA -0.211 4.128 4.340 -0.001 0.000 0.211 50 L C 2.603 179.482 176.870 0.015 0.000 1.089 50 L CA 1.206 56.033 54.840 -0.022 0.000 0.757 50 L CB -0.348 41.586 42.059 -0.208 0.000 0.899 50 L HN 0.212 nan 8.230 nan 0.000 0.434 51 E N 0.013 120.189 120.200 -0.039 0.000 2.030 51 E HA -0.127 4.222 4.350 -0.001 0.000 0.189 51 E C 2.294 178.862 176.600 -0.053 0.000 0.974 51 E CA 0.422 56.795 56.400 -0.045 0.000 0.807 51 E CB 0.253 29.915 29.700 -0.063 0.000 0.771 51 E HN 0.282 nan 8.360 nan 0.000 0.451 52 R N 0.148 120.585 120.500 -0.104 0.000 2.161 52 R HA 0.043 4.383 4.340 -0.001 0.000 0.213 52 R C 2.084 178.284 176.300 -0.166 0.000 1.055 52 R CA 0.503 56.502 56.100 -0.168 0.000 0.996 52 R CB -0.123 30.028 30.300 -0.249 0.000 0.901 52 R HN 0.192 nan 8.270 nan 0.000 0.456 53 V N -0.535 119.290 119.914 -0.148 0.000 2.784 53 V HA 0.039 4.159 4.120 -0.001 0.000 0.231 53 V C 1.797 177.742 176.094 -0.248 0.000 1.128 53 V CA 0.756 62.919 62.300 -0.228 0.000 1.178 53 V CB -0.505 31.091 31.823 -0.378 0.000 0.943 53 V HN -0.037 nan 8.190 nan 0.000 0.500 54 F N 1.791 121.692 119.950 -0.082 0.000 2.407 54 F HA 0.100 4.626 4.527 -0.001 0.000 0.299 54 F C 2.303 178.144 175.800 0.069 0.000 1.097 54 F CA 1.274 59.236 58.000 -0.064 0.000 1.422 54 F CB -0.709 38.208 39.000 -0.138 0.000 1.067 54 F HN 0.259 nan 8.300 nan 0.000 0.539 55 G N 0.295 109.225 108.800 0.217 0.000 2.572 55 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.216 55 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.216 55 G C 1.367 176.420 174.900 0.255 0.000 1.133 55 G CA 0.356 45.601 45.100 0.241 0.000 0.791 55 G HN 0.460 nan 8.290 nan 0.000 0.538 56 R N -1.013 119.595 120.500 0.180 0.000 2.544 56 R HA 0.381 4.721 4.340 -0.001 0.000 0.426 56 R C -0.406 176.033 176.300 0.232 0.000 0.943 56 R CA -0.246 55.991 56.100 0.228 0.000 1.162 56 R CB 0.215 30.717 30.300 0.336 0.000 1.588 56 R HN 0.057 nan 8.270 nan 0.000 0.563 57 S N 0.482 116.240 115.700 0.095 0.000 2.681 57 S HA 0.392 4.861 4.470 -0.001 0.000 0.299 57 S C -1.137 173.337 174.600 -0.210 0.000 1.113 57 S CA -0.653 57.593 58.200 0.077 0.000 1.013 57 S CB 0.779 64.095 63.200 0.192 0.000 1.076 57 S HN 0.260 nan 8.310 nan 0.000 0.534 58 W N 2.194 123.283 121.300 -0.353 0.000 2.388 58 W HA 0.484 5.143 4.660 -0.001 0.000 0.308 58 W C -0.707 175.873 176.519 0.103 0.000 1.263 58 W CA -0.325 56.863 57.345 -0.262 0.000 1.286 58 W CB 0.021 29.104 29.460 -0.628 0.000 1.294 58 W HN 0.263 nan 8.180 nan 0.000 0.493 59 L N 5.219 126.647 121.223 0.343 0.000 2.341 59 L HA 0.422 4.761 4.340 -0.001 0.000 0.278 59 L C -0.219 176.786 176.870 0.225 0.000 1.005 59 L CA -1.367 53.640 54.840 0.278 0.000 0.818 59 L CB 1.056 43.194 42.059 0.133 0.000 1.259 59 L HN 0.207 nan 8.230 nan 0.000 0.418 60 L N 3.529 124.809 121.223 0.094 0.000 2.410 60 L HA 0.184 4.524 4.340 -0.001 0.000 0.273 60 L C 0.309 177.120 176.870 -0.098 0.000 1.152 60 L CA 0.697 55.372 54.840 -0.274 0.000 0.855 60 L CB 0.516 42.403 42.059 -0.287 0.000 1.129 60 L HN 0.621 nan 8.230 nan 0.000 0.463 61 L N 4.488 125.642 121.223 -0.114 0.000 2.609 61 L HA 0.548 4.888 4.340 -0.001 0.000 0.230 61 L C 0.985 177.854 176.870 -0.000 0.000 1.064 61 L CA 0.374 55.198 54.840 -0.027 0.000 0.873 61 L CB 0.026 42.054 42.059 -0.051 0.000 1.139 61 L HN 0.875 nan 8.230 nan 0.000 0.490 62 G N -1.648 107.153 108.800 0.001 0.000 2.398 62 G HA2 0.070 4.030 3.960 -0.001 0.000 0.251 62 G HA3 0.070 4.030 3.960 -0.001 0.000 0.251 62 G C -1.884 173.109 174.900 0.155 0.000 1.277 62 G CA -0.625 44.505 45.100 0.050 0.000 0.927 62 G HN -0.031 nan 8.290 nan 0.000 0.477 63 H N 0.385 119.532 119.070 0.128 0.000 2.621 63 H HA 0.475 5.031 4.556 -0.001 0.000 0.360 63 H C 0.870 176.148 175.328 -0.083 0.000 1.163 63 H CA -0.163 55.847 56.048 -0.064 0.000 1.194 63 H CB 2.359 31.950 29.762 -0.285 0.000 1.649 63 H HN 0.620 nan 8.280 nan 0.000 0.532 64 E N 0.951 120.968 120.200 -0.305 0.000 2.265 64 E HA -0.127 4.222 4.350 -0.001 0.000 0.196 64 E C 1.551 178.167 176.600 0.028 0.000 0.996 64 E CA 1.333 57.665 56.400 -0.113 0.000 0.832 64 E CB 0.304 29.896 29.700 -0.181 0.000 0.756 64 E HN 0.552 nan 8.360 nan 0.000 0.491 65 S N -0.772 115.038 115.700 0.183 0.000 2.562 65 S HA -0.056 4.414 4.470 -0.001 0.000 0.221 65 S C 1.322 175.878 174.600 -0.074 0.000 0.975 65 S CA 0.337 58.558 58.200 0.036 0.000 0.918 65 S CB -0.299 62.892 63.200 -0.015 0.000 0.772 65 S HN 0.376 nan 8.310 nan 0.000 0.531 66 H N 1.172 120.250 119.070 0.014 0.000 2.462 66 H HA 0.156 4.711 4.556 -0.001 0.000 0.292 66 H C 0.822 176.119 175.328 -0.051 0.000 1.049 66 H CA 1.049 57.059 56.048 -0.063 0.000 1.334 66 H CB 0.274 29.965 29.762 -0.118 0.000 1.404 66 H HN 0.476 nan 8.280 nan 0.000 0.544 67 V N -1.286 118.679 119.914 0.085 0.000 2.454 67 V HA 0.231 4.351 4.120 -0.001 0.000 0.255 67 V C -2.261 173.855 176.094 0.036 0.000 1.009 67 V CA -1.418 60.914 62.300 0.053 0.000 1.149 67 V CB 1.238 33.104 31.823 0.071 0.000 1.418 67 V HN 0.056 nan 8.190 nan 0.000 0.567 68 P HA 0.077 nan 4.420 nan 0.000 0.217 68 P C 0.563 177.874 177.300 0.018 0.000 1.154 68 P CA 1.081 64.190 63.100 0.014 0.000 0.841 68 P CB 0.854 32.556 31.700 0.004 0.000 0.788 69 E N -1.001 119.211 120.200 0.019 0.000 2.259 69 E HA 0.339 4.688 4.350 -0.001 0.000 0.257 69 E C -0.439 176.185 176.600 0.041 0.000 0.998 69 E CA -0.619 55.794 56.400 0.023 0.000 0.866 69 E CB 0.585 30.293 29.700 0.013 0.000 1.220 69 E HN -0.212 nan 8.360 nan 0.000 0.415 70 T N 1.059 115.638 114.554 0.041 0.000 2.867 70 T HA 0.362 4.712 4.350 -0.001 0.000 0.297 70 T C 1.012 175.754 174.700 0.070 0.000 0.989 70 T CA 0.919 63.053 62.100 0.057 0.000 1.159 70 T CB 0.232 69.126 68.868 0.043 0.000 0.928 70 T HN 0.750 nan 8.240 nan 0.000 0.538 71 G N 3.470 112.336 108.800 0.110 0.000 2.268 71 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.240 71 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.240 71 G C -0.045 174.994 174.900 0.232 0.000 1.010 71 G CA -0.230 44.958 45.100 0.146 0.000 0.618 71 G HN 0.694 nan 8.290 nan 0.000 0.516 72 D N 1.396 121.875 120.400 0.133 0.000 2.487 72 D HA 0.474 5.114 4.640 -0.001 0.000 0.243 72 D C 0.519 176.916 176.300 0.161 0.000 1.154 72 D CA 0.833 54.866 54.000 0.056 0.000 0.876 72 D CB -0.004 40.799 40.800 0.006 0.000 1.161 72 D HN 0.555 nan 8.370 nan 0.000 0.478 73 F N 0.824 120.837 119.950 0.106 0.000 2.603 73 F HA 0.718 5.244 4.527 -0.001 0.000 0.317 73 F C -1.516 174.312 175.800 0.046 0.000 1.066 73 F CA -1.567 56.498 58.000 0.109 0.000 0.941 73 F CB 1.142 40.284 39.000 0.237 0.000 1.291 73 F HN 0.102 nan 8.300 nan 0.000 0.472 74 L N 2.484 123.853 121.223 0.243 0.000 2.439 74 L HA 0.840 5.179 4.340 -0.001 0.000 0.270 74 L C -1.059 175.883 176.870 0.120 0.000 0.972 74 L CA -0.666 54.244 54.840 0.117 0.000 0.836 74 L CB 1.719 43.769 42.059 -0.014 0.000 1.255 74 L HN 1.043 nan 8.230 nan 0.000 0.404 75 A N 3.594 126.503 122.820 0.148 0.000 2.310 75 A HA 0.659 4.979 4.320 -0.001 0.000 0.300 75 A C 0.060 177.693 177.584 0.081 0.000 1.269 75 A CA 0.288 52.347 52.037 0.035 0.000 0.909 75 A CB 0.420 19.451 19.000 0.051 0.000 1.144 75 A HN 0.800 nan 8.150 nan 0.000 0.540 76 T N 1.301 115.816 114.554 -0.064 0.000 2.565 76 T HA 0.716 5.065 4.350 -0.001 0.000 0.266 76 T C -1.451 172.932 174.700 -0.529 0.000 0.905 76 T CA -0.320 61.746 62.100 -0.055 0.000 1.122 76 T CB 0.565 69.491 68.868 0.096 0.000 1.437 76 T HN 0.462 nan 8.240 nan 0.000 0.506 77 Y N 0.047 120.050 120.300 -0.496 0.000 2.524 77 Y HA 0.669 5.219 4.550 -0.001 0.000 0.347 77 Y C -0.200 175.536 175.900 -0.274 0.000 1.005 77 Y CA -0.914 56.870 58.100 -0.528 0.000 1.025 77 Y CB 2.279 40.098 38.460 -1.067 0.000 1.275 77 Y HN 0.409 nan 8.280 nan 0.000 0.460 78 M N 2.868 122.488 119.600 0.033 0.000 2.018 78 M HA 0.429 4.908 4.480 -0.001 0.000 0.311 78 M C 0.580 176.946 176.300 0.110 0.000 0.928 78 M CA -0.083 55.275 55.300 0.096 0.000 0.911 78 M CB 1.219 33.878 32.600 0.098 0.000 1.447 78 M HN 1.005 nan 8.290 nan 0.000 0.407 79 G N 2.656 111.424 108.800 -0.054 0.000 2.574 79 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.301 79 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.301 79 G C 0.369 175.123 174.900 -0.242 0.000 1.166 79 G CA 0.450 45.323 45.100 -0.379 0.000 0.971 79 G HN 0.720 nan 8.290 nan 0.000 0.542 80 E N 1.333 121.457 120.200 -0.126 0.000 2.548 80 E HA 0.171 4.520 4.350 -0.001 0.000 0.206 80 E C -0.668 176.010 176.600 0.130 0.000 1.005 80 E CA -0.208 56.166 56.400 -0.043 0.000 0.951 80 E CB 0.498 30.174 29.700 -0.040 0.000 1.035 80 E HN 0.418 nan 8.360 nan 0.000 0.470 81 D N 3.565 124.054 120.400 0.147 0.000 2.316 81 D HA 0.122 4.761 4.640 -0.001 0.000 0.245 81 D C -2.260 174.095 176.300 0.092 0.000 1.171 81 D CA -1.651 52.433 54.000 0.140 0.000 0.856 81 D CB 1.290 42.192 40.800 0.169 0.000 1.090 81 D HN 0.006 nan 8.370 nan 0.000 0.476 82 P HA 0.009 nan 4.420 nan 0.000 0.271 82 P C -0.289 176.845 177.300 -0.277 0.000 1.216 82 P CA -0.285 62.509 63.100 -0.509 0.000 0.771 82 P CB 1.039 32.512 31.700 -0.378 0.000 0.864 83 V N 1.182 120.878 119.914 -0.363 0.000 3.040 83 V HA 0.634 4.753 4.120 -0.001 0.000 0.312 83 V C -0.576 175.281 176.094 -0.395 0.000 1.115 83 V CA -1.120 61.013 62.300 -0.279 0.000 0.998 83 V CB 2.155 33.853 31.823 -0.209 0.000 1.042 83 V HN 0.213 nan 8.190 nan 0.000 0.433 84 V N 3.773 123.328 119.914 -0.598 0.000 2.417 84 V HA 0.522 4.642 4.120 -0.001 0.000 0.291 84 V C -0.006 175.728 176.094 -0.600 0.000 1.024 84 V CA -0.339 61.541 62.300 -0.700 0.000 0.861 84 V CB 1.424 32.512 31.823 -1.225 0.000 0.985 84 V HN 1.031 nan 8.190 nan 0.000 0.436 85 M N 6.209 125.645 119.600 -0.274 0.000 2.129 85 M HA 0.749 5.229 4.480 -0.001 0.000 0.348 85 M C -1.468 174.837 176.300 0.009 0.000 1.116 85 M CA -0.363 54.857 55.300 -0.133 0.000 1.022 85 M CB 1.413 33.974 32.600 -0.065 0.000 1.599 85 M HN 0.577 nan 8.290 nan 0.000 0.449 86 V N 5.601 125.552 119.914 0.061 0.000 2.733 86 V HA 0.577 4.696 4.120 -0.001 0.000 0.306 86 V C -1.242 174.962 176.094 0.183 0.000 1.084 86 V CA -0.772 61.657 62.300 0.214 0.000 0.905 86 V CB 2.163 34.212 31.823 0.378 0.000 1.010 86 V HN 0.992 nan 8.190 nan 0.000 0.424 87 R N 5.181 125.781 120.500 0.166 0.000 2.389 87 R HA 0.452 4.791 4.340 -0.001 0.000 0.295 87 R C -0.050 176.328 176.300 0.130 0.000 1.075 87 R CA 0.063 56.235 56.100 0.121 0.000 1.005 87 R CB 0.725 31.077 30.300 0.088 0.000 0.987 87 R HN 0.770 nan 8.270 nan 0.000 0.452 88 Q N 3.051 122.916 119.800 0.108 0.000 2.212 88 Q HA 0.099 4.438 4.340 -0.001 0.000 0.238 88 Q C 0.371 176.413 176.000 0.070 0.000 0.955 88 Q CA -0.360 55.503 55.803 0.100 0.000 0.906 88 Q CB 1.014 29.807 28.738 0.092 0.000 1.215 88 Q HN 0.640 nan 8.270 nan 0.000 0.478 89 K N 0.753 121.190 120.400 0.061 0.000 2.209 89 K HA -0.166 4.154 4.320 -0.001 0.000 0.204 89 K C 0.377 176.997 176.600 0.033 0.000 1.048 89 K CA 1.562 57.875 56.287 0.043 0.000 0.940 89 K CB 0.209 32.731 32.500 0.036 0.000 0.729 89 K HN 0.558 nan 8.250 nan 0.000 0.451 90 D N -0.368 120.053 120.400 0.035 0.000 2.434 90 D HA 0.029 4.669 4.640 -0.001 0.000 0.232 90 D C -0.087 176.229 176.300 0.026 0.000 1.166 90 D CA -0.045 53.971 54.000 0.027 0.000 0.830 90 D CB 0.444 41.259 40.800 0.025 0.000 0.960 90 D HN -0.057 nan 8.370 nan 0.000 0.497 91 K N -1.075 119.343 120.400 0.030 0.000 3.572 91 K HA -0.216 4.103 4.320 -0.001 0.000 0.306 91 K C 0.342 176.960 176.600 0.029 0.000 1.286 91 K CA 1.239 57.542 56.287 0.026 0.000 1.010 91 K CB -2.091 30.418 32.500 0.014 0.000 1.268 91 K HN 0.528 nan 8.250 nan 0.000 0.438 92 S N 0.096 115.818 115.700 0.037 0.000 2.608 92 S HA 0.560 5.029 4.470 -0.001 0.000 0.261 92 S C 0.426 175.059 174.600 0.056 0.000 1.314 92 S CA -0.668 57.557 58.200 0.041 0.000 0.992 92 S CB 1.041 64.268 63.200 0.044 0.000 0.935 92 S HN 0.221 nan 8.310 nan 0.000 0.564 93 I N 1.017 121.621 120.570 0.057 0.000 2.433 93 I HA 0.433 4.602 4.170 -0.001 0.000 0.292 93 I C 0.011 176.175 176.117 0.079 0.000 1.001 93 I CA -0.612 60.728 61.300 0.067 0.000 1.119 93 I CB 1.843 39.872 38.000 0.048 0.000 1.289 93 I HN 0.595 nan 8.210 nan 0.000 0.438 94 K N 4.994 125.457 120.400 0.106 0.000 2.207 94 K HA 0.726 5.046 4.320 -0.001 0.000 0.255 94 K C -1.324 175.322 176.600 0.076 0.000 0.941 94 K CA -0.801 55.565 56.287 0.131 0.000 0.825 94 K CB 2.894 35.526 32.500 0.220 0.000 1.119 94 K HN 0.253 nan 8.250 nan 0.000 0.430 95 V N 4.545 124.481 119.914 0.037 0.000 2.443 95 V HA 0.460 4.579 4.120 -0.001 0.000 0.293 95 V C -0.972 175.111 176.094 -0.018 0.000 1.021 95 V CA -0.849 61.382 62.300 -0.115 0.000 0.848 95 V CB 0.434 32.144 31.823 -0.188 0.000 0.998 95 V HN 0.667 nan 8.190 nan 0.000 0.424 96 F N 3.428 123.339 119.950 -0.065 0.000 2.588 96 F HA 0.834 5.361 4.527 -0.001 0.000 0.314 96 F C -0.804 175.014 175.800 0.030 0.000 1.069 96 F CA -1.763 56.241 58.000 0.008 0.000 0.931 96 F CB 1.253 40.236 39.000 -0.029 0.000 1.260 96 F HN 0.334 nan 8.300 nan 0.000 0.465 97 L N 2.841 124.294 121.223 0.384 0.000 2.525 97 L HA 0.126 4.466 4.340 -0.001 0.000 0.278 97 L C 0.447 177.371 176.870 0.089 0.000 1.218 97 L CA 0.504 55.489 54.840 0.242 0.000 0.878 97 L CB -0.134 42.027 42.059 0.169 0.000 1.127 97 L HN 0.792 nan 8.230 nan 0.000 0.492 98 N N 4.983 123.654 118.700 -0.049 0.000 3.303 98 N HA 0.123 4.862 4.740 -0.001 0.000 0.304 98 N C -1.101 174.380 175.510 -0.048 0.000 1.302 98 N CA 0.171 53.154 53.050 -0.112 0.000 1.213 98 N CB -0.276 38.086 38.487 -0.209 0.000 1.481 98 N HN 0.709 nan 8.380 nan 0.000 0.546 99 Q N 0.842 120.637 119.800 -0.008 0.000 2.295 99 Q HA 0.223 4.562 4.340 -0.001 0.000 0.268 99 Q C -1.479 174.544 176.000 0.039 0.000 1.010 99 Q CA -0.669 55.145 55.803 0.019 0.000 0.856 99 Q CB 1.373 30.125 28.738 0.023 0.000 1.349 99 Q HN 0.323 nan 8.270 nan 0.000 0.412 100 C N 3.829 123.180 119.300 0.085 0.000 2.514 100 C HA 0.351 4.811 4.460 -0.001 0.000 0.392 100 C C 1.390 176.473 174.990 0.155 0.000 1.294 100 C CA -0.143 58.978 59.018 0.172 0.000 1.957 100 C CB -0.160 27.701 27.740 0.201 0.000 2.541 100 C HN 0.938 nan 8.230 nan 0.000 0.569 101 R N 2.125 122.791 120.500 0.276 0.000 2.323 101 R HA -0.023 4.317 4.340 -0.001 0.000 0.198 101 R C 1.764 178.169 176.300 0.176 0.000 0.988 101 R CA 0.263 56.553 56.100 0.315 0.000 1.041 101 R CB -0.284 30.357 30.300 0.568 0.000 0.926 101 R HN 0.841 nan 8.270 nan 0.000 0.476 102 H N -0.004 118.879 119.070 -0.313 0.000 2.276 102 H HA 0.047 4.602 4.556 -0.001 0.000 0.307 102 H C 0.984 176.110 175.328 -0.336 0.000 1.061 102 H CA 1.075 56.732 56.048 -0.651 0.000 1.336 102 H CB 0.585 29.458 29.762 -1.482 0.000 1.396 102 H HN -0.081 nan 8.280 nan 0.000 0.503 103 R N -0.948 119.325 120.500 -0.377 0.000 2.549 103 R HA 0.176 4.516 4.340 -0.001 0.000 0.399 103 R C 0.325 176.616 176.300 -0.015 0.000 0.964 103 R CA 0.553 56.493 56.100 -0.266 0.000 1.173 103 R CB 0.691 30.764 30.300 -0.379 0.000 1.535 103 R HN 0.646 nan 8.270 nan 0.000 0.551 104 G N 0.661 109.473 108.800 0.020 0.000 2.157 104 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.239 104 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.239 104 G C 0.052 175.003 174.900 0.084 0.000 0.982 104 G CA 0.300 45.434 45.100 0.055 0.000 0.650 104 G HN 0.232 nan 8.290 nan 0.000 0.527 105 M N 1.307 120.989 119.600 0.137 0.000 2.245 105 M HA 0.492 4.971 4.480 -0.001 0.000 0.344 105 M C 0.896 177.252 176.300 0.093 0.000 1.170 105 M CA -0.740 54.643 55.300 0.138 0.000 1.135 105 M CB 0.360 33.100 32.600 0.234 0.000 1.574 105 M HN 0.304 nan 8.290 nan 0.000 0.452 106 R N 3.834 124.369 120.500 0.058 0.000 2.522 106 R HA 0.059 4.399 4.340 -0.001 0.000 0.284 106 R C 0.493 176.821 176.300 0.046 0.000 1.032 106 R CA -0.243 55.873 56.100 0.027 0.000 1.049 106 R CB 0.285 30.593 30.300 0.013 0.000 0.956 106 R HN 0.793 nan 8.270 nan 0.000 0.422 107 I N 3.190 123.763 120.570 0.005 0.000 2.429 107 I HA -0.092 4.078 4.170 -0.001 0.000 0.247 107 I C 1.108 177.241 176.117 0.026 0.000 1.099 107 I CA 0.658 61.975 61.300 0.029 0.000 1.422 107 I CB -0.788 37.151 38.000 -0.101 0.000 1.112 107 I HN 0.560 nan 8.210 nan 0.000 0.430 108 C N 3.068 122.304 119.300 -0.106 0.000 2.251 108 C HA 0.433 4.892 4.460 -0.001 0.000 0.323 108 C C 1.590 176.556 174.990 -0.040 0.000 1.241 108 C CA -0.520 58.424 59.018 -0.123 0.000 1.601 108 C CB -0.217 27.265 27.740 -0.430 0.000 2.251 108 C HN 0.358 nan 8.230 nan 0.000 0.488 109 R N 2.847 123.372 120.500 0.041 0.000 2.362 109 R HA 0.155 4.495 4.340 -0.001 0.000 0.227 109 R C 0.801 177.162 176.300 0.102 0.000 0.905 109 R CA 0.100 56.239 56.100 0.065 0.000 1.067 109 R CB 0.372 30.713 30.300 0.069 0.000 1.078 109 R HN 0.812 nan 8.270 nan 0.000 0.516 110 S N -0.830 114.968 115.700 0.163 0.000 2.681 110 S HA 0.262 4.732 4.470 -0.001 0.000 0.299 110 S C 0.185 174.932 174.600 0.245 0.000 1.113 110 S CA -0.966 57.359 58.200 0.207 0.000 1.013 110 S CB 1.949 65.307 63.200 0.263 0.000 1.076 110 S HN -0.160 nan 8.310 nan 0.000 0.534 111 D N 1.128 121.624 120.400 0.160 0.000 2.084 111 D HA 0.267 4.907 4.640 -0.001 0.000 0.196 111 D C 0.850 177.224 176.300 0.123 0.000 0.985 111 D CA 1.822 55.886 54.000 0.106 0.000 0.826 111 D CB -0.295 40.508 40.800 0.005 0.000 0.978 111 D HN 0.798 nan 8.370 nan 0.000 0.456 112 A N -1.589 121.246 122.820 0.024 0.000 2.588 112 A HA 0.740 5.060 4.320 -0.001 0.000 0.290 112 A C -0.022 177.206 177.584 -0.594 0.000 1.136 112 A CA 0.053 51.916 52.037 -0.290 0.000 0.681 112 A CB 1.655 20.517 19.000 -0.230 0.000 1.282 112 A HN 0.378 nan 8.150 nan 0.000 0.421 113 G N -0.324 107.839 108.800 -1.063 0.000 2.339 113 G HA2 0.297 4.257 3.960 -0.001 0.000 0.275 113 G HA3 0.297 4.257 3.960 -0.001 0.000 0.275 113 G C -1.660 172.767 174.900 -0.788 0.000 1.323 113 G CA -0.173 44.490 45.100 -0.727 0.000 0.927 113 G HN 1.039 nan 8.290 nan 0.000 0.486 114 N N 0.383 118.949 118.700 -0.223 0.000 2.321 114 N HA 0.670 5.409 4.740 -0.001 0.000 0.299 114 N C -0.465 175.205 175.510 0.268 0.000 1.048 114 N CA 0.231 53.296 53.050 0.026 0.000 0.836 114 N CB 1.930 40.420 38.487 0.005 0.000 1.269 114 N HN 1.150 nan 8.380 nan 0.000 0.486 115 A N 2.818 125.809 122.820 0.285 0.000 2.365 115 A HA 0.428 4.747 4.320 -0.001 0.000 0.318 115 A C 0.358 177.873 177.584 -0.114 0.000 1.091 115 A CA -0.577 51.453 52.037 -0.012 0.000 0.763 115 A CB 1.389 20.073 19.000 -0.527 0.000 1.248 115 A HN 0.777 nan 8.150 nan 0.000 0.442 116 K N 0.345 120.661 120.400 -0.141 0.000 2.334 116 K HA 0.466 4.786 4.320 -0.001 0.000 0.195 116 K C 0.313 176.822 176.600 -0.153 0.000 1.045 116 K CA 1.086 57.312 56.287 -0.102 0.000 1.004 116 K CB 0.656 33.126 32.500 -0.050 0.000 0.837 116 K HN 0.859 nan 8.250 nan 0.000 0.510 117 A N 0.622 123.278 122.820 -0.274 0.000 2.599 117 A HA 0.591 4.910 4.320 -0.001 0.000 0.294 117 A C -1.814 175.553 177.584 -0.362 0.000 1.055 117 A CA -0.832 51.068 52.037 -0.230 0.000 0.683 117 A CB 0.583 19.551 19.000 -0.053 0.000 1.278 117 A HN 0.056 nan 8.150 nan 0.000 0.412 118 F N 0.878 120.906 119.950 0.129 0.000 2.436 118 F HA 0.664 5.190 4.527 -0.001 0.000 0.340 118 F C 0.594 176.541 175.800 0.244 0.000 1.113 118 F CA -0.189 57.895 58.000 0.140 0.000 1.022 118 F CB 2.716 41.795 39.000 0.131 0.000 1.128 118 F HN 0.420 nan 8.300 nan 0.000 0.466 119 T N 1.702 116.475 114.554 0.366 0.000 2.848 119 T HA 0.184 4.533 4.350 -0.001 0.000 0.285 119 T C -0.911 173.983 174.700 0.324 0.000 0.995 119 T CA -0.594 61.699 62.100 0.322 0.000 0.970 119 T CB 1.346 70.330 68.868 0.194 0.000 0.976 119 T HN 0.789 nan 8.240 nan 0.000 0.441 120 C N 4.004 123.538 119.300 0.390 0.000 2.651 120 C HA 0.239 4.698 4.460 -0.001 0.000 0.410 120 C C 2.185 177.328 174.990 0.254 0.000 1.372 120 C CA 0.185 59.404 59.018 0.335 0.000 1.707 120 C CB -1.166 26.818 27.740 0.408 0.000 2.501 120 C HN 1.074 nan 8.230 nan 0.000 0.598 121 S N 4.426 120.243 115.700 0.195 0.000 2.481 121 S HA -0.132 4.337 4.470 -0.001 0.000 0.231 121 S C 1.495 176.185 174.600 0.151 0.000 0.996 121 S CA 0.881 59.166 58.200 0.143 0.000 0.942 121 S CB -0.497 62.755 63.200 0.086 0.000 0.768 121 S HN 0.947 nan 8.310 nan 0.000 0.520 122 Y N 1.586 121.891 120.300 0.009 0.000 2.109 122 Y HA -0.117 4.433 4.550 -0.001 0.000 0.281 122 Y C 2.140 177.873 175.900 -0.278 0.000 1.113 122 Y CA 1.634 59.642 58.100 -0.153 0.000 1.098 122 Y CB 0.089 38.483 38.460 -0.111 0.000 0.996 122 Y HN 0.401 nan 8.280 nan 0.000 0.485 123 H N -1.663 117.531 119.070 0.207 0.000 2.893 123 H HA 0.277 4.833 4.556 -0.001 0.000 0.270 123 H C 0.966 176.413 175.328 0.199 0.000 1.095 123 H CA 0.493 56.603 56.048 0.104 0.000 1.186 123 H CB 1.171 30.883 29.762 -0.083 0.000 1.562 123 H HN 0.528 nan 8.280 nan 0.000 0.536 124 G N 0.164 109.152 108.800 0.314 0.000 2.132 124 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.234 124 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.234 124 G C -0.548 174.549 174.900 0.329 0.000 0.989 124 G CA -0.390 44.880 45.100 0.283 0.000 0.676 124 G HN 0.183 nan 8.290 nan 0.000 0.522 125 W N 1.058 122.394 121.300 0.060 0.000 2.489 125 W HA 0.589 5.249 4.660 -0.001 0.000 0.327 125 W C 0.672 177.047 176.519 -0.240 0.000 1.436 125 W CA -0.119 57.162 57.345 -0.107 0.000 1.315 125 W CB 0.171 29.585 29.460 -0.077 0.000 1.373 125 W HN 0.668 nan 8.180 nan 0.000 0.557 126 A N 5.366 128.074 122.820 -0.187 0.000 2.301 126 A HA 0.750 5.070 4.320 -0.001 0.000 0.312 126 A C -1.595 175.745 177.584 -0.407 0.000 1.182 126 A CA -0.400 51.539 52.037 -0.163 0.000 0.826 126 A CB 0.486 19.445 19.000 -0.069 0.000 1.134 126 A HN 0.519 nan 8.150 nan 0.000 0.501 127 Y N 0.731 121.106 120.300 0.124 0.000 2.499 127 Y HA 0.434 4.984 4.550 -0.001 0.000 0.347 127 Y C 0.194 176.152 175.900 0.097 0.000 0.987 127 Y CA -0.996 57.163 58.100 0.098 0.000 1.044 127 Y CB 1.670 40.206 38.460 0.125 0.000 1.245 127 Y HN 0.830 nan 8.280 nan 0.000 0.461 128 D N 0.947 121.467 120.400 0.200 0.000 2.411 128 D HA 0.086 4.726 4.640 -0.001 0.000 0.251 128 D C 1.037 177.478 176.300 0.236 0.000 1.201 128 D CA -0.572 53.511 54.000 0.138 0.000 0.996 128 D CB 0.687 41.527 40.800 0.067 0.000 1.101 128 D HN 0.646 nan 8.370 nan 0.000 0.504 129 I N -3.466 117.217 120.570 0.188 0.000 3.010 129 I HA 0.010 4.180 4.170 -0.001 0.000 0.271 129 I C 1.544 177.897 176.117 0.393 0.000 1.293 129 I CA 1.003 62.517 61.300 0.358 0.000 1.452 129 I CB -0.383 37.729 38.000 0.188 0.000 1.082 129 I HN 0.315 nan 8.210 nan 0.000 0.484 130 A N 1.142 124.077 122.820 0.193 0.000 2.238 130 A HA 0.483 4.802 4.320 -0.001 0.000 0.210 130 A C 1.990 179.511 177.584 -0.105 0.000 1.179 130 A CA 0.534 52.639 52.037 0.114 0.000 0.827 130 A CB -0.559 18.482 19.000 0.067 0.000 0.856 130 A HN 0.803 nan 8.150 nan 0.000 0.488 131 G N -0.654 107.919 108.800 -0.379 0.000 2.176 131 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.253 131 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.253 131 G C 0.277 174.968 174.900 -0.347 0.000 0.979 131 G CA 0.483 44.961 45.100 -1.038 0.000 0.641 131 G HN 0.611 nan 8.290 nan 0.000 0.530 132 K N 0.308 120.656 120.400 -0.086 0.000 2.298 132 K HA 0.486 4.806 4.320 -0.001 0.000 0.280 132 K C 0.243 176.920 176.600 0.128 0.000 1.032 132 K CA -0.857 55.441 56.287 0.018 0.000 0.958 132 K CB 0.551 33.047 32.500 -0.007 0.000 0.978 132 K HN 0.180 nan 8.250 nan 0.000 0.472 133 L N 6.544 127.837 121.223 0.116 0.000 2.369 133 L HA 0.019 4.359 4.340 -0.001 0.000 0.279 133 L C 0.571 177.335 176.870 -0.177 0.000 1.108 133 L CA 0.386 55.180 54.840 -0.078 0.000 0.852 133 L CB 0.984 42.993 42.059 -0.083 0.000 1.169 133 L HN 0.577 nan 8.230 nan 0.000 0.452 134 V N 1.533 121.320 119.914 -0.211 0.000 3.379 134 V HA 0.402 4.522 4.120 -0.001 0.000 0.249 134 V C 0.560 176.531 176.094 -0.205 0.000 1.184 134 V CA 0.088 62.290 62.300 -0.165 0.000 1.106 134 V CB -0.164 31.603 31.823 -0.093 0.000 0.826 134 V HN 0.832 nan 8.190 nan 0.000 0.465 135 N N 0.225 118.761 118.700 -0.274 0.000 2.478 135 N HA 0.414 5.154 4.740 -0.001 0.000 0.291 135 N C -1.903 173.388 175.510 -0.366 0.000 1.090 135 N CA -0.048 52.846 53.050 -0.259 0.000 0.911 135 N CB 2.836 41.224 38.487 -0.164 0.000 1.546 135 N HN 0.080 nan 8.380 nan 0.000 0.500 136 V N 4.762 124.432 119.914 -0.407 0.000 2.378 136 V HA 0.433 4.553 4.120 -0.001 0.000 0.288 136 V C -2.105 173.870 176.094 -0.197 0.000 1.016 136 V CA -1.692 60.298 62.300 -0.516 0.000 0.840 136 V CB 1.604 32.913 31.823 -0.857 0.000 0.994 136 V HN 0.545 nan 8.190 nan 0.000 0.431 137 P HA 0.261 nan 4.420 nan 0.000 0.267 137 P C -0.064 177.359 177.300 0.204 0.000 1.205 137 P CA 0.161 63.277 63.100 0.027 0.000 0.765 137 P CB -0.057 31.759 31.700 0.193 0.000 0.828 138 F N -0.080 119.885 119.950 0.026 0.000 3.057 138 F HA -0.241 4.285 4.527 -0.001 0.000 0.287 138 F C 1.669 177.520 175.800 0.086 0.000 0.834 138 F CA 0.979 59.001 58.000 0.038 0.000 1.147 138 F CB -2.063 36.954 39.000 0.027 0.000 1.245 138 F HN 0.393 nan 8.300 nan 0.000 0.509 139 E N 1.144 121.440 120.200 0.160 0.000 2.058 139 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 139 E C 2.284 179.009 176.600 0.207 0.000 0.997 139 E CA 1.753 58.263 56.400 0.182 0.000 0.801 139 E CB -0.041 29.626 29.700 -0.055 0.000 0.746 139 E HN 0.608 nan 8.360 nan 0.000 0.450 140 K N 0.203 120.667 120.400 0.106 0.000 2.057 140 K HA -0.192 4.127 4.320 -0.001 0.000 0.207 140 K C 1.589 178.249 176.600 0.099 0.000 1.049 140 K CA 1.792 58.130 56.287 0.085 0.000 0.931 140 K CB 0.083 32.605 32.500 0.037 0.000 0.714 140 K HN 0.036 nan 8.250 nan 0.000 0.440 141 E N -0.808 119.469 120.200 0.128 0.000 2.442 141 E HA 0.029 4.379 4.350 -0.001 0.000 0.195 141 E C 0.940 177.566 176.600 0.044 0.000 1.030 141 E CA 0.703 57.168 56.400 0.108 0.000 0.869 141 E CB 0.719 30.531 29.700 0.186 0.000 0.857 141 E HN 0.403 nan 8.360 nan 0.000 0.505 142 A N -0.787 122.054 122.820 0.035 0.000 2.340 142 A HA 0.344 4.664 4.320 -0.001 0.000 0.213 142 A C 0.151 177.480 177.584 -0.425 0.000 1.299 142 A CA -0.191 51.731 52.037 -0.192 0.000 0.994 142 A CB 0.416 19.263 19.000 -0.255 0.000 1.132 142 A HN 0.086 nan 8.150 nan 0.000 0.519 154 D N 5.624 125.679 120.400 -0.574 0.000 2.549 154 D HA 0.353 4.993 4.640 -0.001 0.000 0.251 154 D C 0.379 176.291 176.300 -0.645 0.000 1.153 154 D CA -0.403 53.303 54.000 -0.490 0.000 0.861 154 D CB 1.967 42.649 40.800 -0.197 0.000 1.207 154 D HN 0.683 nan 8.370 nan 0.000 0.543 155 K N 1.965 121.962 120.400 -0.671 0.000 2.209 155 K HA -0.079 4.241 4.320 -0.001 0.000 0.204 155 K C 1.664 178.135 176.600 -0.216 0.000 1.048 155 K CA 1.027 57.023 56.287 -0.485 0.000 0.940 155 K CB 0.096 32.356 32.500 -0.399 0.000 0.729 155 K HN 0.435 nan 8.250 nan 0.000 0.451 156 A N 1.521 124.226 122.820 -0.192 0.000 2.131 156 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 156 A C 1.539 179.048 177.584 -0.125 0.000 1.158 156 A CA 1.410 53.371 52.037 -0.126 0.000 0.665 156 A CB -0.218 18.714 19.000 -0.113 0.000 0.795 156 A HN 0.335 nan 8.150 nan 0.000 0.460 157 E N -2.827 117.270 120.200 -0.172 0.000 2.460 157 E HA 0.002 4.351 4.350 -0.001 0.000 0.200 157 E C 0.067 176.418 176.600 -0.415 0.000 1.011 157 E CA -0.082 56.137 56.400 -0.302 0.000 0.912 157 E CB 0.128 29.592 29.700 -0.393 0.000 0.953 157 E HN 0.853 nan 8.360 nan 0.000 0.494 158 W N 1.314 122.583 121.300 -0.052 0.000 2.764 158 W HA 0.334 4.993 4.660 -0.001 0.000 0.427 158 W C 0.654 177.299 176.519 0.211 0.000 0.896 158 W CA -0.623 56.788 57.345 0.109 0.000 2.307 158 W CB 0.841 30.413 29.460 0.187 0.000 1.192 158 W HN -0.093 nan 8.180 nan 0.000 0.731 159 G N 1.853 110.798 108.800 0.243 0.000 2.476 159 G HA2 0.447 4.406 3.960 -0.001 0.000 0.286 159 G HA3 0.447 4.406 3.960 -0.001 0.000 0.286 159 G C -2.225 172.757 174.900 0.136 0.000 1.177 159 G CA -1.169 44.070 45.100 0.232 0.000 0.870 159 G HN -0.260 nan 8.290 nan 0.000 0.528 160 P HA 0.048 nan 4.420 nan 0.000 0.266 160 P C 0.070 177.424 177.300 0.090 0.000 1.195 160 P CA -0.539 62.593 63.100 0.054 0.000 0.768 160 P CB 0.970 32.678 31.700 0.013 0.000 0.838 161 L N 3.049 124.330 121.223 0.098 0.000 2.578 161 L HA -0.051 4.288 4.340 -0.001 0.000 0.279 161 L C 0.492 177.567 176.870 0.341 0.000 1.227 161 L CA 1.088 56.004 54.840 0.127 0.000 0.900 161 L CB -0.233 41.801 42.059 -0.041 0.000 1.144 161 L HN 0.302 nan 8.230 nan 0.000 0.496 162 Q N 4.114 124.096 119.800 0.304 0.000 2.256 162 Q HA 0.624 4.964 4.340 -0.001 0.000 0.257 162 Q C -0.599 175.583 176.000 0.303 0.000 0.936 162 Q CA -0.501 55.481 55.803 0.299 0.000 0.903 162 Q CB 1.802 30.641 28.738 0.169 0.000 1.263 162 Q HN 0.826 nan 8.270 nan 0.000 0.440 163 A N 2.789 125.648 122.820 0.065 0.000 2.306 163 A HA 0.561 4.880 4.320 -0.001 0.000 0.330 163 A C -0.183 177.332 177.584 -0.116 0.000 1.146 163 A CA -0.653 51.256 52.037 -0.213 0.000 0.827 163 A CB 0.717 19.203 19.000 -0.858 0.000 1.178 163 A HN 0.699 nan 8.150 nan 0.000 0.490 164 R N -0.087 120.329 120.500 -0.139 0.000 2.623 164 R HA 0.385 4.724 4.340 -0.001 0.000 0.271 164 R C -1.017 175.314 176.300 0.052 0.000 1.043 164 R CA 0.083 56.162 56.100 -0.036 0.000 1.083 164 R CB 0.437 30.693 30.300 -0.073 0.000 0.974 164 R HN 0.391 nan 8.270 nan 0.000 0.436 165 V N 1.683 121.701 119.914 0.173 0.000 2.483 165 V HA 0.636 4.755 4.120 -0.001 0.000 0.297 165 V C -0.429 175.804 176.094 0.231 0.000 1.027 165 V CA -0.827 61.599 62.300 0.209 0.000 0.855 165 V CB 1.572 33.456 31.823 0.100 0.000 0.995 165 V HN 0.929 nan 8.190 nan 0.000 0.424 166 A N 3.091 126.064 122.820 0.256 0.000 2.435 166 A HA 0.918 5.237 4.320 -0.001 0.000 0.304 166 A C -0.325 177.308 177.584 0.082 0.000 1.064 166 A CA -0.591 51.469 52.037 0.038 0.000 0.727 166 A CB 2.025 20.828 19.000 -0.329 0.000 1.284 166 A HN 0.633 nan 8.150 nan 0.000 0.415 167 T N 1.287 115.870 114.554 0.049 0.000 2.807 167 T HA 0.513 4.862 4.350 -0.001 0.000 0.279 167 T C -1.584 173.188 174.700 0.121 0.000 0.993 167 T CA 0.104 62.259 62.100 0.092 0.000 0.970 167 T CB 0.644 69.520 68.868 0.013 0.000 0.950 167 T HN 0.472 nan 8.240 nan 0.000 0.441 168 Y N 3.689 124.031 120.300 0.069 0.000 2.376 168 Y HA 0.293 4.842 4.550 -0.001 0.000 0.326 168 Y C 0.256 176.170 175.900 0.023 0.000 0.970 168 Y CA -0.919 57.197 58.100 0.027 0.000 1.248 168 Y CB 0.464 38.936 38.460 0.019 0.000 1.117 168 Y HN 0.673 nan 8.280 nan 0.000 0.476 169 K N 4.717 124.884 120.400 -0.388 0.000 3.540 169 K HA -0.282 4.037 4.320 -0.001 0.000 0.274 169 K C 0.929 177.442 176.600 -0.145 0.000 0.890 169 K CA 1.020 57.117 56.287 -0.318 0.000 0.701 169 K CB -1.776 30.445 32.500 -0.465 0.000 1.523 169 K HN 1.230 nan 8.250 nan 0.000 0.450 170 G N -0.608 108.080 108.800 -0.187 0.000 2.349 170 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.213 170 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.213 170 G C 0.162 174.698 174.900 -0.605 0.000 1.044 170 G CA -0.031 44.813 45.100 -0.427 0.000 0.633 170 G HN 0.231 nan 8.290 nan 0.000 0.506 171 L N 1.584 122.712 121.223 -0.159 0.000 2.375 171 L HA 0.646 4.986 4.340 -0.001 0.000 0.271 171 L C 0.279 177.125 176.870 -0.039 0.000 1.107 171 L CA -1.001 53.801 54.840 -0.063 0.000 0.806 171 L CB 1.739 43.854 42.059 0.093 0.000 1.146 171 L HN 0.017 nan 8.230 nan 0.000 0.447 172 V N 2.769 122.597 119.914 -0.143 0.000 2.384 172 V HA 0.417 4.537 4.120 -0.001 0.000 0.287 172 V C -0.409 175.573 176.094 -0.186 0.000 1.020 172 V CA -0.407 61.856 62.300 -0.062 0.000 0.850 172 V CB 1.146 32.948 31.823 -0.035 0.000 0.987 172 V HN 0.370 nan 8.190 nan 0.000 0.436 173 F N 2.398 122.412 119.950 0.107 0.000 2.507 173 F HA 0.885 5.411 4.527 -0.001 0.000 0.327 173 F C 0.437 176.408 175.800 0.284 0.000 1.068 173 F CA -0.563 57.556 58.000 0.197 0.000 0.965 173 F CB 2.069 41.196 39.000 0.212 0.000 1.192 173 F HN 0.581 nan 8.300 nan 0.000 0.476 174 A N 1.956 125.009 122.820 0.389 0.000 2.498 174 A HA 0.727 5.047 4.320 -0.001 0.000 0.298 174 A C -1.585 175.807 177.584 -0.321 0.000 1.075 174 A CA -0.636 51.429 52.037 0.047 0.000 0.714 174 A CB 1.871 20.748 19.000 -0.206 0.000 1.299 174 A HN 0.667 nan 8.150 nan 0.000 0.407 175 N N 0.558 118.811 118.700 -0.745 0.000 2.425 175 N HA 0.216 4.956 4.740 -0.001 0.000 0.289 175 N C -0.313 174.841 175.510 -0.594 0.000 1.074 175 N CA -0.508 51.985 53.050 -0.928 0.000 0.905 175 N CB 1.154 38.525 38.487 -1.860 0.000 1.586 175 N HN 0.716 nan 8.380 nan 0.000 0.490 176 W N 0.623 121.775 121.300 -0.247 0.000 2.409 176 W HA 0.051 4.710 4.660 -0.001 0.000 0.299 176 W C 0.826 177.265 176.519 -0.133 0.000 1.203 176 W CA -0.049 57.211 57.345 -0.142 0.000 1.298 176 W CB 0.109 29.523 29.460 -0.076 0.000 1.127 176 W HN 0.437 nan 8.180 nan 0.000 0.528 177 D N 0.879 121.329 120.400 0.082 0.000 2.363 177 D HA -0.036 4.604 4.640 -0.001 0.000 0.263 177 D C 1.093 177.372 176.300 -0.036 0.000 1.258 177 D CA 0.257 54.305 54.000 0.079 0.000 0.907 177 D CB 1.699 42.630 40.800 0.218 0.000 1.107 177 D HN -0.118 nan 8.370 nan 0.000 0.495 178 V N 4.127 124.046 119.914 0.009 0.000 3.078 178 V HA -0.170 3.949 4.120 -0.001 0.000 0.265 178 V C 1.800 177.870 176.094 -0.041 0.000 1.122 178 V CA 1.676 63.966 62.300 -0.017 0.000 1.141 178 V CB -0.143 31.688 31.823 0.014 0.000 0.735 178 V HN 0.559 nan 8.190 nan 0.000 0.498 179 Q N -0.567 119.216 119.800 -0.028 0.000 2.319 179 Q HA 0.351 4.691 4.340 -0.001 0.000 0.202 179 Q C 0.914 176.665 176.000 -0.414 0.000 0.896 179 Q CA 0.302 56.068 55.803 -0.062 0.000 0.942 179 Q CB 0.512 29.327 28.738 0.129 0.000 1.083 179 Q HN 0.669 nan 8.270 nan 0.000 0.510 180 A N 2.333 124.782 122.820 -0.618 0.000 2.406 180 A HA 0.281 4.601 4.320 -0.001 0.000 0.243 180 A C -2.213 174.974 177.584 -0.661 0.000 1.082 180 A CA -0.974 50.330 52.037 -1.221 0.000 0.786 180 A CB -0.229 18.331 19.000 -0.733 0.000 1.029 180 A HN -0.022 nan 8.150 nan 0.000 0.495 181 P HA 0.217 nan 4.420 nan 0.000 0.272 181 P C -0.665 176.712 177.300 0.128 0.000 1.230 181 P CA -0.216 62.768 63.100 -0.192 0.000 0.788 181 P CB 0.321 31.918 31.700 -0.173 0.000 0.949 182 D N 0.661 121.109 120.400 0.079 0.000 2.369 182 D HA -0.026 4.613 4.640 -0.001 0.000 0.241 182 D C 1.139 177.309 176.300 -0.217 0.000 1.271 182 D CA -0.435 53.605 54.000 0.068 0.000 0.942 182 D CB 0.013 40.795 40.800 -0.030 0.000 1.129 182 D HN 0.071 nan 8.370 nan 0.000 0.476 183 L N -0.071 120.697 121.223 -0.758 0.000 1.989 183 L HA -0.184 4.156 4.340 -0.001 0.000 0.211 183 L C 2.055 178.653 176.870 -0.454 0.000 1.071 183 L CA 1.822 56.024 54.840 -1.064 0.000 0.749 183 L CB -0.875 40.484 42.059 -1.166 0.000 0.890 183 L HN 0.423 nan 8.230 nan 0.000 0.431 184 E N -0.797 119.230 120.200 -0.287 0.000 2.070 184 E HA -0.235 4.114 4.350 -0.001 0.000 0.197 184 E C 2.024 178.564 176.600 -0.100 0.000 1.004 184 E CA 2.098 58.402 56.400 -0.160 0.000 0.805 184 E CB -0.759 28.895 29.700 -0.076 0.000 0.744 184 E HN 0.575 nan 8.360 nan 0.000 0.451 185 T N 0.738 115.248 114.554 -0.074 0.000 2.737 185 T HA -0.162 4.188 4.350 -0.001 0.000 0.265 185 T C 1.747 176.465 174.700 0.030 0.000 1.038 185 T CA 1.251 63.322 62.100 -0.049 0.000 1.144 185 T CB -0.595 68.220 68.868 -0.088 0.000 0.866 185 T HN 0.228 nan 8.240 nan 0.000 0.434 186 Y N 2.029 122.311 120.300 -0.029 0.000 2.114 186 Y HA -0.182 4.368 4.550 -0.001 0.000 0.282 186 Y C 2.005 178.100 175.900 0.326 0.000 1.165 186 Y CA 1.360 59.616 58.100 0.260 0.000 1.148 186 Y CB -0.491 38.108 38.460 0.231 0.000 0.972 186 Y HN 0.126 nan 8.280 nan 0.000 0.504 187 L N -0.885 120.392 121.223 0.089 0.000 2.027 187 L HA 0.027 4.367 4.340 -0.001 0.000 0.206 187 L C 2.122 178.976 176.870 -0.028 0.000 1.074 187 L CA 0.766 55.498 54.840 -0.181 0.000 0.745 187 L CB -1.466 40.358 42.059 -0.391 0.000 0.898 187 L HN 0.542 nan 8.230 nan 0.000 0.433 188 G N 1.512 110.322 108.800 0.016 0.000 2.583 188 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.292 188 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.292 188 G C 0.446 175.401 174.900 0.093 0.000 1.203 188 G CA 0.424 45.574 45.100 0.083 0.000 0.987 188 G HN 0.557 nan 8.290 nan 0.000 0.554 189 D N 1.565 122.077 120.400 0.187 0.000 2.352 189 D HA 0.352 4.991 4.640 -0.001 0.000 0.232 189 D C 1.894 178.343 176.300 0.247 0.000 1.055 189 D CA 1.363 55.484 54.000 0.201 0.000 0.891 189 D CB -0.304 40.652 40.800 0.261 0.000 0.897 189 D HN 0.953 nan 8.370 nan 0.000 0.529 190 A N 0.570 123.558 122.820 0.279 0.000 2.178 190 A HA 0.046 4.366 4.320 -0.001 0.000 0.211 190 A C 2.245 179.881 177.584 0.088 0.000 1.157 190 A CA -0.075 52.137 52.037 0.292 0.000 0.780 190 A CB -0.274 18.894 19.000 0.281 0.000 0.828 190 A HN 0.069 nan 8.150 nan 0.000 0.476 191 R N 0.127 120.611 120.500 -0.025 0.000 2.083 191 R HA -0.124 4.215 4.340 -0.001 0.000 0.237 191 R C -0.805 175.495 176.300 0.001 0.000 1.137 191 R CA 1.886 57.941 56.100 -0.075 0.000 0.951 191 R CB -1.479 28.779 30.300 -0.071 0.000 0.851 191 R HN 0.353 nan 8.270 nan 0.000 0.434 192 P HA -0.174 nan 4.420 nan 0.000 0.217 192 P C 0.520 177.586 177.300 -0.391 0.000 1.148 192 P CA 1.447 64.365 63.100 -0.303 0.000 0.828 192 P CB -0.054 31.320 31.700 -0.544 0.000 0.783 193 Y N -2.141 118.047 120.300 -0.187 0.000 2.475 193 Y HA 0.080 4.630 4.550 -0.001 0.000 0.289 193 Y C 2.409 178.332 175.900 0.039 0.000 1.121 193 Y CA 0.564 58.567 58.100 -0.162 0.000 1.257 193 Y CB -0.737 37.577 38.460 -0.244 0.000 1.026 193 Y HN -0.117 nan 8.280 nan 0.000 0.555 194 M N -0.504 119.228 119.600 0.220 0.000 2.288 194 M HA -0.150 4.330 4.480 -0.001 0.000 0.266 194 M C 1.053 177.446 176.300 0.155 0.000 1.072 194 M CA 1.248 56.701 55.300 0.255 0.000 1.132 194 M CB -0.127 32.625 32.600 0.253 0.000 1.386 194 M HN 0.089 nan 8.290 nan 0.000 0.432 195 D N 0.302 120.773 120.400 0.118 0.000 2.264 195 D HA -0.095 4.544 4.640 -0.001 0.000 0.208 195 D C 2.030 178.329 176.300 -0.002 0.000 0.966 195 D CA 0.965 55.000 54.000 0.058 0.000 0.864 195 D CB -0.221 40.598 40.800 0.031 0.000 0.933 195 D HN 0.139 nan 8.370 nan 0.000 0.499 196 V N 0.775 120.687 119.914 -0.004 0.000 2.490 196 V HA -0.217 3.903 4.120 -0.001 0.000 0.250 196 V C 2.224 178.379 176.094 0.102 0.000 1.061 196 V CA 1.405 63.711 62.300 0.011 0.000 1.064 196 V CB -0.312 31.541 31.823 0.049 0.000 0.670 196 V HN 0.264 nan 8.190 nan 0.000 0.461 197 M N -1.310 118.352 119.600 0.102 0.000 2.556 197 M HA 0.114 4.594 4.480 -0.001 0.000 0.264 197 M C 1.783 178.098 176.300 0.026 0.000 1.163 197 M CA 1.437 56.794 55.300 0.096 0.000 1.186 197 M CB 0.263 32.860 32.600 -0.005 0.000 1.321 197 M HN 0.209 nan 8.290 nan 0.000 0.485 198 L N -0.718 120.507 121.223 0.002 0.000 2.416 198 L HA 0.082 4.421 4.340 -0.001 0.000 0.216 198 L C 0.518 177.372 176.870 -0.026 0.000 1.098 198 L CA 0.425 55.261 54.840 -0.007 0.000 0.840 198 L CB -0.013 42.052 42.059 0.011 0.000 0.981 198 L HN 0.204 nan 8.230 nan 0.000 0.462 199 D N -0.533 119.849 120.400 -0.030 0.000 2.696 199 D HA 0.102 4.742 4.640 -0.001 0.000 0.269 199 D C 1.518 177.783 176.300 -0.058 0.000 1.319 199 D CA 0.009 53.979 54.000 -0.049 0.000 0.826 199 D CB 0.375 41.151 40.800 -0.039 0.000 1.086 199 D HN -0.025 nan 8.370 nan 0.000 0.481 200 R N -0.734 119.730 120.500 -0.060 0.000 2.200 200 R HA 0.118 4.458 4.340 -0.001 0.000 0.208 200 R C 0.596 176.854 176.300 -0.071 0.000 1.033 200 R CA 0.759 56.804 56.100 -0.091 0.000 1.000 200 R CB 0.224 30.465 30.300 -0.098 0.000 0.906 200 R HN 0.204 nan 8.270 nan 0.000 0.462 201 T N -2.808 111.720 114.554 -0.043 0.000 2.903 201 T HA 0.291 4.640 4.350 -0.001 0.000 0.299 201 T C -2.288 172.391 174.700 -0.035 0.000 1.093 201 T CA -1.950 60.130 62.100 -0.032 0.000 1.002 201 T CB 2.585 71.451 68.868 -0.004 0.000 1.127 201 T HN -0.255 nan 8.240 nan 0.000 0.488 202 P HA 0.029 nan 4.420 nan 0.000 0.220 202 P C 1.383 178.664 177.300 -0.030 0.000 1.148 202 P CA 0.815 63.893 63.100 -0.036 0.000 0.803 202 P CB -0.252 31.429 31.700 -0.033 0.000 0.782 203 A N -0.382 122.427 122.820 -0.019 0.000 2.167 203 A HA 0.397 4.716 4.320 -0.001 0.000 0.214 203 A C 1.263 178.841 177.584 -0.009 0.000 1.151 203 A CA 0.896 52.926 52.037 -0.012 0.000 0.735 203 A CB -1.248 17.750 19.000 -0.003 0.000 0.802 203 A HN 0.399 nan 8.150 nan 0.000 0.467 204 G N -1.066 107.726 108.800 -0.013 0.000 2.855 204 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.352 204 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.352 204 G C 0.118 175.027 174.900 0.016 0.000 1.415 204 G CA -0.099 44.998 45.100 -0.005 0.000 0.871 204 G HN 1.423 nan 8.290 nan 0.000 0.543 205 T N -2.795 111.787 114.554 0.047 0.000 2.849 205 T HA 0.681 5.030 4.350 -0.001 0.000 0.284 205 T C 0.133 174.835 174.700 0.003 0.000 1.004 205 T CA -0.021 62.096 62.100 0.027 0.000 1.021 205 T CB 2.053 70.948 68.868 0.045 0.000 1.013 205 T HN 2.007 nan 8.240 nan 0.000 0.527 206 V N 0.187 119.994 119.914 -0.178 0.000 2.841 206 V HA 0.706 4.826 4.120 -0.001 0.000 0.310 206 V C -0.440 175.372 176.094 -0.469 0.000 1.090 206 V CA -0.948 61.152 62.300 -0.333 0.000 0.930 206 V CB 1.741 33.479 31.823 -0.141 0.000 1.014 206 V HN 1.423 nan 8.190 nan 0.000 0.425 207 A N 6.577 128.995 122.820 -0.670 0.000 2.366 207 A HA 0.674 4.994 4.320 -0.001 0.000 0.272 207 A C -0.089 177.392 177.584 -0.172 0.000 1.135 207 A CA -0.341 51.460 52.037 -0.392 0.000 0.804 207 A CB 0.052 18.687 19.000 -0.608 0.000 1.064 207 A HN 0.805 nan 8.150 nan 0.000 0.499 208 I N 2.287 122.840 120.570 -0.028 0.000 2.588 208 I HA 0.158 4.327 4.170 -0.001 0.000 0.283 208 I C 1.497 177.648 176.117 0.057 0.000 1.119 208 I CA 0.113 61.423 61.300 0.018 0.000 1.419 208 I CB 0.573 38.608 38.000 0.059 0.000 1.394 208 I HN 0.781 nan 8.210 nan 0.000 0.562 209 G N 4.116 112.937 108.800 0.035 0.000 2.391 209 G HA2 0.391 4.350 3.960 -0.001 0.000 0.234 209 G HA3 0.391 4.350 3.960 -0.001 0.000 0.234 209 G C 0.298 175.243 174.900 0.074 0.000 1.284 209 G CA 0.431 45.561 45.100 0.049 0.000 0.873 209 G HN 1.197 nan 8.290 nan 0.000 0.549 210 G N 0.360 109.201 108.800 0.068 0.000 2.906 210 G HA2 0.296 4.255 3.960 -0.001 0.000 0.686 210 G HA3 0.296 4.255 3.960 -0.001 0.000 0.686 210 G C -0.694 174.253 174.900 0.080 0.000 1.170 210 G CA -0.038 45.095 45.100 0.055 0.000 0.775 210 G HN 1.360 nan 8.290 nan 0.000 0.630 211 M N 2.915 122.521 119.600 0.011 0.000 2.022 211 M HA 0.474 4.953 4.480 -0.001 0.000 0.298 211 M C 0.352 176.651 176.300 -0.001 0.000 0.909 211 M CA -0.642 54.664 55.300 0.010 0.000 0.914 211 M CB 1.161 33.667 32.600 -0.156 0.000 1.486 211 M HN 0.709 nan 8.290 nan 0.000 0.415 212 Q N 3.488 123.372 119.800 0.140 0.000 2.327 212 Q HA 0.433 4.772 4.340 -0.001 0.000 0.254 212 Q C -1.212 174.918 176.000 0.217 0.000 0.952 212 Q CA -0.208 55.724 55.803 0.215 0.000 0.884 212 Q CB 1.110 30.057 28.738 0.349 0.000 1.224 212 Q HN 0.604 nan 8.270 nan 0.000 0.422 213 K N 2.547 123.074 120.400 0.213 0.000 2.482 213 K HA 0.590 4.910 4.320 -0.001 0.000 0.251 213 K C -1.601 175.257 176.600 0.430 0.000 0.936 213 K CA -0.565 55.768 56.287 0.076 0.000 0.791 213 K CB 1.480 33.764 32.500 -0.361 0.000 1.213 213 K HN 0.827 nan 8.250 nan 0.000 0.428 214 W N -0.290 121.113 121.300 0.173 0.000 3.074 214 W HA 0.615 5.275 4.660 -0.001 0.000 0.332 214 W C -1.885 174.780 176.519 0.244 0.000 1.253 214 W CA -1.089 56.366 57.345 0.183 0.000 1.180 214 W CB 0.415 29.971 29.460 0.160 0.000 1.445 214 W HN 0.105 nan 8.180 nan 0.000 0.573 215 V N 3.196 123.332 119.914 0.370 0.000 2.435 215 V HA 0.498 4.618 4.120 -0.001 0.000 0.290 215 V C -0.066 176.206 176.094 0.298 0.000 1.030 215 V CA -0.872 61.578 62.300 0.249 0.000 0.881 215 V CB 1.097 33.041 31.823 0.201 0.000 0.983 215 V HN 0.514 nan 8.190 nan 0.000 0.445 216 I N 6.546 127.267 120.570 0.252 0.000 2.436 216 I HA 0.382 4.552 4.170 -0.001 0.000 0.289 216 I C -2.342 173.896 176.117 0.201 0.000 1.010 216 I CA -2.085 59.386 61.300 0.285 0.000 1.098 216 I CB 2.807 41.047 38.000 0.401 0.000 1.266 216 I HN 0.420 nan 8.210 nan 0.000 0.434 217 P HA 0.103 nan 4.420 nan 0.000 0.237 217 P C -0.617 176.752 177.300 0.116 0.000 1.788 217 P CA -0.042 63.129 63.100 0.117 0.000 1.061 217 P CB -0.306 31.450 31.700 0.092 0.000 1.967 218 C N 0.736 120.111 119.300 0.126 0.000 3.288 218 C HA 0.479 4.939 4.460 -0.001 0.000 0.318 218 C C -0.286 174.773 174.990 0.114 0.000 1.356 218 C CA -1.144 57.948 59.018 0.124 0.000 1.359 218 C CB 1.253 29.069 27.740 0.127 0.000 1.688 218 C HN 0.351 nan 8.230 nan 0.000 0.467 219 N N 1.681 120.490 118.700 0.182 0.000 2.492 219 N HA 0.062 4.801 4.740 -0.001 0.000 0.260 219 N C 1.254 176.688 175.510 -0.127 0.000 1.215 219 N CA 0.459 53.525 53.050 0.027 0.000 0.923 219 N CB 0.672 39.091 38.487 -0.114 0.000 1.092 219 N HN 1.000 nan 8.380 nan 0.000 0.448 220 W N 4.645 125.869 121.300 -0.126 0.000 2.374 220 W HA -0.090 4.569 4.660 -0.001 0.000 0.288 220 W C 0.944 177.235 176.519 -0.379 0.000 1.218 220 W CA 0.360 57.565 57.345 -0.234 0.000 1.245 220 W CB -0.489 28.966 29.460 -0.007 0.000 1.126 220 W HN 0.521 nan 8.180 nan 0.000 0.545 221 K N 0.354 120.030 120.400 -1.207 0.000 2.147 221 K HA -0.139 4.180 4.320 -0.001 0.000 0.205 221 K C 1.937 178.128 176.600 -0.681 0.000 1.049 221 K CA 1.847 57.425 56.287 -1.181 0.000 0.936 221 K CB -0.639 31.107 32.500 -1.258 0.000 0.722 221 K HN 0.117 nan 8.250 nan 0.000 0.446 222 F N 0.741 120.336 119.950 -0.592 0.000 2.102 222 F HA -0.248 4.278 4.527 -0.001 0.000 0.298 222 F C 2.581 177.801 175.800 -0.967 0.000 1.105 222 F CA 1.007 58.551 58.000 -0.760 0.000 1.239 222 F CB -0.306 38.087 39.000 -1.012 0.000 0.991 222 F HN 0.060 nan 8.300 nan 0.000 0.474 223 A N 0.108 122.234 122.820 -1.156 0.000 1.873 223 A HA -0.069 4.250 4.320 -0.001 0.000 0.215 223 A C 2.350 179.485 177.584 -0.750 0.000 1.186 223 A CA 1.593 52.756 52.037 -1.457 0.000 0.616 223 A CB -1.316 16.278 19.000 -2.344 0.000 0.823 223 A HN 0.318 nan 8.150 nan 0.000 0.442 224 A N -0.312 122.112 122.820 -0.661 0.000 1.865 224 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 224 A C 2.090 179.686 177.584 0.020 0.000 1.191 224 A CA 1.943 53.920 52.037 -0.100 0.000 0.623 224 A CB -0.665 18.364 19.000 0.049 0.000 0.826 224 A HN 0.647 nan 8.150 nan 0.000 0.444 225 E N -0.593 119.530 120.200 -0.128 0.000 2.077 225 E HA -0.295 4.054 4.350 -0.001 0.000 0.193 225 E C 2.231 178.863 176.600 0.054 0.000 0.989 225 E CA 1.529 57.889 56.400 -0.066 0.000 0.800 225 E CB -0.189 29.468 29.700 -0.072 0.000 0.746 225 E HN 0.780 nan 8.360 nan 0.000 0.452 226 Q N -0.548 119.299 119.800 0.079 0.000 2.061 226 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 226 Q C 1.750 177.777 176.000 0.044 0.000 0.984 226 Q CA 1.845 57.699 55.803 0.084 0.000 0.846 226 Q CB -0.176 28.676 28.738 0.190 0.000 0.902 226 Q HN 0.278 nan 8.270 nan 0.000 0.421 227 F N -0.837 119.192 119.950 0.132 0.000 2.748 227 F HA -0.039 4.488 4.527 -0.001 0.000 0.299 227 F C 2.211 178.176 175.800 0.274 0.000 1.154 227 F CA 0.305 58.432 58.000 0.211 0.000 1.446 227 F CB -0.249 38.937 39.000 0.309 0.000 1.112 227 F HN 0.331 nan 8.300 nan 0.000 0.584 228 C N -1.829 117.666 119.300 0.325 0.000 2.518 228 C HA 0.139 4.598 4.460 -0.001 0.000 0.283 228 C C 2.446 177.593 174.990 0.262 0.000 1.351 228 C CA 1.228 60.393 59.018 0.244 0.000 1.745 228 C CB -0.560 27.252 27.740 0.119 0.000 2.107 228 C HN 0.424 nan 8.230 nan 0.000 0.502 229 S N -1.579 114.235 115.700 0.190 0.000 2.551 229 S HA 0.150 4.619 4.470 -0.001 0.000 0.276 229 S C -0.363 174.274 174.600 0.062 0.000 1.051 229 S CA 0.071 58.365 58.200 0.156 0.000 1.377 229 S CB -0.406 62.834 63.200 0.066 0.000 1.208 229 S HN 0.542 nan 8.310 nan 0.000 0.656 230 D N 2.040 122.384 120.400 -0.094 0.000 2.564 230 D HA 0.300 4.939 4.640 -0.001 0.000 0.226 230 D C 0.610 176.893 176.300 -0.029 0.000 1.149 230 D CA -0.217 53.794 54.000 0.018 0.000 0.994 230 D CB 0.793 41.639 40.800 0.077 0.000 1.029 230 D HN 0.341 nan 8.370 nan 0.000 0.517 231 M N 2.314 121.909 119.600 -0.009 0.000 2.447 231 M HA 0.025 4.505 4.480 -0.001 0.000 0.264 231 M C 1.336 177.859 176.300 0.371 0.000 1.095 231 M CA 0.823 56.170 55.300 0.079 0.000 1.125 231 M CB -0.243 32.348 32.600 -0.016 0.000 1.389 231 M HN 0.419 nan 8.290 nan 0.000 0.459 232 Y N 0.298 120.772 120.300 0.291 0.000 2.151 232 Y HA -0.400 4.150 4.550 -0.001 0.000 0.284 232 Y C 2.639 178.580 175.900 0.068 0.000 1.166 232 Y CA 2.108 60.304 58.100 0.161 0.000 1.163 232 Y CB -0.281 38.246 38.460 0.111 0.000 0.974 232 Y HN 0.558 nan 8.280 nan 0.000 0.511 233 H N -0.907 118.184 119.070 0.035 0.000 2.423 233 H HA -0.080 4.475 4.556 -0.001 0.000 0.297 233 H C 2.013 177.346 175.328 0.008 0.000 1.075 233 H CA 1.312 57.313 56.048 -0.078 0.000 1.342 233 H CB -0.679 29.066 29.762 -0.029 0.000 1.395 233 H HN 0.420 nan 8.280 nan 0.000 0.530 234 A N 1.118 123.612 122.820 -0.544 0.000 1.930 234 A HA 0.092 4.411 4.320 -0.001 0.000 0.215 234 A C 2.695 180.318 177.584 0.066 0.000 1.176 234 A CA 1.013 52.952 52.037 -0.163 0.000 0.632 234 A CB -0.942 18.019 19.000 -0.064 0.000 0.819 234 A HN 0.580 nan 8.150 nan 0.000 0.445 235 G N -1.225 107.654 108.800 0.132 0.000 2.985 235 G HA2 0.200 4.160 3.960 -0.001 0.000 0.209 235 G HA3 0.200 4.160 3.960 -0.001 0.000 0.209 235 G C 1.190 176.041 174.900 -0.082 0.000 1.165 235 G CA 1.571 46.766 45.100 0.157 0.000 0.776 235 G HN 0.627 nan 8.290 nan 0.000 0.541 236 T N -2.643 111.800 114.554 -0.185 0.000 3.556 236 T HA 0.138 4.487 4.350 -0.001 0.000 0.204 236 T C 2.122 176.717 174.700 -0.175 0.000 0.896 236 T CA 1.640 63.594 62.100 -0.243 0.000 1.380 236 T CB 0.132 68.729 68.868 -0.452 0.000 1.584 236 T HN 0.109 nan 8.240 nan 0.000 0.411 237 T N -1.515 112.921 114.554 -0.198 0.000 3.028 237 T HA 0.169 4.519 4.350 -0.001 0.000 0.250 237 T C 2.086 176.674 174.700 -0.186 0.000 0.979 237 T CA 0.843 62.842 62.100 -0.168 0.000 1.004 237 T CB -0.861 67.909 68.868 -0.163 0.000 1.120 237 T HN 0.334 nan 8.240 nan 0.000 0.482 238 T N 1.901 116.319 114.554 -0.226 0.000 2.624 238 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 238 T C 1.083 175.504 174.700 -0.465 0.000 1.041 238 T CA 1.684 63.572 62.100 -0.354 0.000 1.159 238 T CB -0.476 68.173 68.868 -0.364 0.000 0.863 238 T HN 0.522 nan 8.240 nan 0.000 0.434 239 H N 0.349 119.329 119.070 -0.149 0.000 2.488 239 H HA 0.380 4.935 4.556 -0.001 0.000 0.294 239 H C 1.571 176.725 175.328 -0.291 0.000 1.088 239 H CA -0.230 55.650 56.048 -0.280 0.000 1.086 239 H CB -0.258 29.333 29.762 -0.285 0.000 1.569 239 H HN 0.281 nan 8.280 nan 0.000 0.548 240 L N 0.633 121.776 121.223 -0.133 0.000 2.079 240 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 240 L C 2.474 179.257 176.870 -0.145 0.000 1.081 240 L CA 1.697 56.467 54.840 -0.118 0.000 0.752 240 L CB -0.191 41.806 42.059 -0.103 0.000 0.896 240 L HN 0.296 nan 8.230 nan 0.000 0.433 241 S N -0.786 114.811 115.700 -0.171 0.000 2.428 241 S HA -0.056 4.413 4.470 -0.001 0.000 0.230 241 S C 2.049 176.500 174.600 -0.249 0.000 1.014 241 S CA 0.657 58.754 58.200 -0.172 0.000 0.957 241 S CB -0.760 62.351 63.200 -0.148 0.000 0.784 241 S HN 0.420 nan 8.310 nan 0.000 0.499 242 G N 2.750 111.290 108.800 -0.434 0.000 2.421 242 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.216 242 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.216 242 G C 1.378 175.969 174.900 -0.515 0.000 1.171 242 G CA 0.975 45.560 45.100 -0.858 0.000 0.775 242 G HN 0.442 nan 8.290 nan 0.000 0.543 243 I N 0.663 121.035 120.570 -0.329 0.000 2.163 243 I HA -0.123 4.046 4.170 -0.001 0.000 0.243 243 I C 2.692 178.769 176.117 -0.066 0.000 1.085 243 I CA 0.856 62.109 61.300 -0.078 0.000 1.347 243 I CB -1.211 36.770 38.000 -0.033 0.000 1.044 243 I HN 0.137 nan 8.210 nan 0.000 0.408 244 L N 1.448 122.614 121.223 -0.095 0.000 2.079 244 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 244 L C 2.424 179.259 176.870 -0.059 0.000 1.081 244 L CA 2.102 56.901 54.840 -0.070 0.000 0.752 244 L CB -0.718 41.294 42.059 -0.077 0.000 0.896 244 L HN 0.212 nan 8.230 nan 0.000 0.433 245 A N -1.479 121.297 122.820 -0.074 0.000 2.119 245 A HA 0.172 4.491 4.320 -0.001 0.000 0.216 245 A C 2.160 179.732 177.584 -0.020 0.000 1.152 245 A CA 1.006 53.012 52.037 -0.051 0.000 0.708 245 A CB -0.860 18.100 19.000 -0.066 0.000 0.805 245 A HN 0.506 nan 8.150 nan 0.000 0.460 246 G N 0.018 108.812 108.800 -0.009 0.000 2.709 246 G HA2 0.305 4.264 3.960 -0.001 0.000 0.208 246 G HA3 0.305 4.264 3.960 -0.001 0.000 0.208 246 G C 0.788 175.686 174.900 -0.004 0.000 1.129 246 G CA 0.389 45.493 45.100 0.007 0.000 0.793 246 G HN 0.637 nan 8.290 nan 0.000 0.524 247 I N -0.171 120.395 120.570 -0.007 0.000 2.779 247 I HA 0.403 4.572 4.170 -0.001 0.000 0.285 247 I C -2.398 173.714 176.117 -0.008 0.000 1.134 247 I CA -1.954 59.342 61.300 -0.007 0.000 1.398 247 I CB 0.329 38.323 38.000 -0.010 0.000 1.404 247 I HN -0.203 nan 8.210 nan 0.000 0.587 248 P HA 0.101 nan 4.420 nan 0.000 0.265 248 P C -2.102 175.194 177.300 -0.007 0.000 1.187 248 P CA -0.758 62.340 63.100 -0.004 0.000 0.766 248 P CB -0.129 31.570 31.700 -0.001 0.000 0.820 249 P HA -0.221 nan 4.420 nan 0.000 0.217 249 P C 1.043 178.337 177.300 -0.010 0.000 1.151 249 P CA 1.550 64.645 63.100 -0.009 0.000 0.849 249 P CB -0.112 31.584 31.700 -0.008 0.000 0.787 250 E N -1.345 118.850 120.200 -0.007 0.000 2.474 250 E HA 0.029 4.378 4.350 -0.001 0.000 0.195 250 E C 0.593 177.189 176.600 -0.008 0.000 1.039 250 E CA -0.088 56.307 56.400 -0.007 0.000 0.881 250 E CB -0.506 29.192 29.700 -0.005 0.000 0.970 250 E HN 0.287 nan 8.360 nan 0.000 0.486 251 M N 1.839 121.434 119.600 -0.008 0.000 2.233 251 M HA 0.213 4.693 4.480 -0.001 0.000 0.355 251 M C -0.691 175.602 176.300 -0.013 0.000 1.191 251 M CA -0.445 54.850 55.300 -0.009 0.000 1.101 251 M CB 1.186 33.782 32.600 -0.007 0.000 1.592 251 M HN -0.207 nan 8.290 nan 0.000 0.461 252 D N 2.035 122.427 120.400 -0.012 0.000 2.348 252 D HA 0.213 4.853 4.640 -0.001 0.000 0.249 252 D C 0.842 177.131 176.300 -0.018 0.000 1.110 252 D CA -0.206 53.784 54.000 -0.016 0.000 0.967 252 D CB 1.139 41.930 40.800 -0.014 0.000 1.139 252 D HN 0.675 nan 8.370 nan 0.000 0.466 253 L N 0.931 122.141 121.223 -0.023 0.000 2.217 253 L HA -0.110 4.229 4.340 -0.001 0.000 0.211 253 L C 2.025 178.883 176.870 -0.020 0.000 1.107 253 L CA 0.652 55.477 54.840 -0.025 0.000 0.783 253 L CB -0.143 41.896 42.059 -0.034 0.000 0.919 253 L HN 0.386 nan 8.230 nan 0.000 0.442 254 S N -0.491 115.199 115.700 -0.017 0.000 2.399 254 S HA -0.236 4.233 4.470 -0.001 0.000 0.231 254 S C 1.670 176.264 174.600 -0.009 0.000 1.022 254 S CA 1.169 59.361 58.200 -0.013 0.000 0.983 254 S CB -0.201 62.991 63.200 -0.012 0.000 0.803 254 S HN 0.540 nan 8.310 nan 0.000 0.480 255 Q N 0.577 120.372 119.800 -0.008 0.000 2.444 255 Q HA 0.314 4.654 4.340 -0.001 0.000 0.206 255 Q C 0.409 176.406 176.000 -0.004 0.000 0.948 255 Q CA 0.096 55.897 55.803 -0.005 0.000 0.946 255 Q CB 0.008 28.743 28.738 -0.004 0.000 1.027 255 Q HN 0.471 nan 8.270 nan 0.000 0.513 256 A N 1.595 124.411 122.820 -0.006 0.000 2.354 256 A HA 0.187 4.507 4.320 -0.001 0.000 0.281 256 A C -0.186 177.395 177.584 -0.004 0.000 1.174 256 A CA -0.433 51.601 52.037 -0.006 0.000 0.828 256 A CB 0.380 19.374 19.000 -0.009 0.000 1.099 256 A HN 0.105 nan 8.150 nan 0.000 0.516 257 Q N 2.351 122.149 119.800 -0.003 0.000 2.300 257 Q HA 0.254 4.593 4.340 -0.001 0.000 0.280 257 Q C -0.790 175.203 176.000 -0.011 0.000 1.033 257 Q CA 0.763 56.564 55.803 -0.003 0.000 0.903 257 Q CB -0.037 28.700 28.738 -0.002 0.000 1.195 257 Q HN 0.587 nan 8.270 nan 0.000 0.386 258 I N 7.862 128.430 120.570 -0.003 0.000 2.301 258 I HA 0.283 4.452 4.170 -0.001 0.000 0.292 258 I C -1.859 174.251 176.117 -0.013 0.000 1.046 258 I CA -2.130 59.170 61.300 -0.000 0.000 1.282 258 I CB 0.821 38.834 38.000 0.021 0.000 1.409 258 I HN 0.604 nan 8.210 nan 0.000 0.484 259 P HA 0.092 nan 4.420 nan 0.000 0.271 259 P C 0.373 177.649 177.300 -0.041 0.000 1.220 259 P CA -0.057 62.892 63.100 -0.251 0.000 0.768 259 P CB 1.076 32.303 31.700 -0.789 0.000 0.848 260 T N -0.883 113.713 114.554 0.069 0.000 2.993 260 T HA 0.162 4.511 4.350 -0.001 0.000 0.260 260 T C 0.530 175.394 174.700 0.274 0.000 0.939 260 T CA -0.104 62.179 62.100 0.305 0.000 0.886 260 T CB 0.093 69.154 68.868 0.322 0.000 1.209 260 T HN 0.160 nan 8.240 nan 0.000 0.518 261 K N 1.629 122.143 120.400 0.191 0.000 2.276 261 K HA 0.617 4.936 4.320 -0.001 0.000 0.283 261 K C 0.140 176.846 176.600 0.176 0.000 1.044 261 K CA 0.116 56.533 56.287 0.217 0.000 0.944 261 K CB 1.070 33.681 32.500 0.185 0.000 1.012 261 K HN 0.547 nan 8.250 nan 0.000 0.472 262 G N 1.935 110.767 108.800 0.053 0.000 2.320 262 G HA2 0.078 4.037 3.960 -0.001 0.000 0.297 262 G HA3 0.078 4.037 3.960 -0.001 0.000 0.297 262 G C -1.765 172.847 174.900 -0.480 0.000 1.344 262 G CA -0.836 44.123 45.100 -0.235 0.000 0.851 262 G HN 0.534 nan 8.290 nan 0.000 0.567 263 N N -0.344 117.718 118.700 -1.062 0.000 2.455 263 N HA 0.545 5.285 4.740 -0.001 0.000 0.278 263 N C -1.324 173.212 175.510 -1.623 0.000 1.291 263 N CA -0.581 51.796 53.050 -1.122 0.000 0.780 263 N CB 2.647 40.572 38.487 -0.937 0.000 1.520 263 N HN 0.711 nan 8.380 nan 0.000 0.486 264 Q N 1.137 120.363 119.800 -0.957 0.000 2.347 264 Q HA 0.411 4.750 4.340 -0.001 0.000 0.271 264 Q C -1.779 174.039 176.000 -0.304 0.000 1.064 264 Q CA -0.637 54.750 55.803 -0.694 0.000 0.800 264 Q CB 1.853 30.347 28.738 -0.406 0.000 1.304 264 Q HN 0.538 nan 8.270 nan 0.000 0.438 265 F N 3.525 123.286 119.950 -0.315 0.000 2.443 265 F HA 0.589 5.116 4.527 -0.001 0.000 0.335 265 F C -1.190 174.530 175.800 -0.134 0.000 1.104 265 F CA -0.759 57.133 58.000 -0.179 0.000 1.013 265 F CB 1.305 40.078 39.000 -0.379 0.000 1.136 265 F HN 0.523 nan 8.300 nan 0.000 0.470 266 R N 5.152 125.150 120.500 -0.837 0.000 2.439 266 R HA 0.706 5.046 4.340 -0.001 0.000 0.310 266 R C -1.036 174.625 176.300 -1.065 0.000 0.955 266 R CA -0.773 54.820 56.100 -0.845 0.000 0.853 266 R CB 1.337 31.418 30.300 -0.366 0.000 1.171 266 R HN 0.951 nan 8.270 nan 0.000 0.449 267 A N 3.175 125.380 122.820 -1.025 0.000 2.498 267 A HA 0.303 4.622 4.320 -0.001 0.000 0.239 267 A C 1.286 178.803 177.584 -0.112 0.000 1.068 267 A CA 0.578 52.380 52.037 -0.391 0.000 0.766 267 A CB 0.544 19.534 19.000 -0.016 0.000 1.003 267 A HN 1.002 nan 8.150 nan 0.000 0.497 268 A N 1.676 124.562 122.820 0.110 0.000 1.940 268 A HA 0.040 4.360 4.320 -0.001 0.000 0.219 268 A C 0.619 178.309 177.584 0.177 0.000 1.176 268 A CA 1.703 53.822 52.037 0.138 0.000 0.631 268 A CB -0.256 18.859 19.000 0.192 0.000 0.814 268 A HN 1.305 nan 8.150 nan 0.000 0.446 269 W N -3.217 118.050 121.300 -0.055 0.000 3.425 269 W HA 0.451 5.110 4.660 -0.001 0.000 0.318 269 W C 0.377 176.685 176.519 -0.353 0.000 1.201 269 W CA 0.147 57.411 57.345 -0.135 0.000 1.212 269 W CB 1.068 30.502 29.460 -0.044 0.000 1.355 269 W HN 0.755 nan 8.180 nan 0.000 0.515 270 G N 1.971 109.822 108.800 -1.582 0.000 2.296 270 G HA2 0.203 4.162 3.960 -0.001 0.000 0.188 270 G HA3 0.203 4.162 3.960 -0.001 0.000 0.188 270 G C 0.932 174.567 174.900 -2.108 0.000 1.000 270 G CA 0.435 44.132 45.100 -2.339 0.000 0.672 270 G HN 2.145 nan 8.290 nan 0.000 0.483 271 G N 0.143 108.158 108.800 -1.309 0.000 2.160 271 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.251 271 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.251 271 G C 0.205 174.793 174.900 -0.520 0.000 1.008 271 G CA 0.818 45.422 45.100 -0.826 0.000 0.724 271 G HN 1.351 nan 8.290 nan 0.000 0.514 272 H N 0.114 119.034 119.070 -0.250 0.000 2.551 272 H HA 0.649 5.205 4.556 -0.001 0.000 0.358 272 H C 0.741 175.957 175.328 -0.187 0.000 1.151 272 H CA 0.375 56.366 56.048 -0.096 0.000 1.374 272 H CB 1.578 31.340 29.762 -0.000 0.000 1.473 272 H HN 0.701 nan 8.280 nan 0.000 0.574 273 G N -0.486 108.342 108.800 0.047 0.000 2.704 273 G HA2 0.428 4.388 3.960 -0.001 0.000 0.293 273 G HA3 0.428 4.388 3.960 -0.001 0.000 0.293 273 G C -1.281 173.678 174.900 0.097 0.000 1.421 273 G CA -0.471 44.593 45.100 -0.059 0.000 0.870 273 G HN 0.605 nan 8.290 nan 0.000 0.492 274 S N -1.573 114.183 115.700 0.094 0.000 2.579 274 S HA 0.894 5.363 4.470 -0.001 0.000 0.272 274 S C -0.310 174.183 174.600 -0.179 0.000 1.141 274 S CA 0.089 58.294 58.200 0.007 0.000 0.843 274 S CB 1.842 65.088 63.200 0.078 0.000 1.122 274 S HN 1.784 nan 8.310 nan 0.000 0.468 275 G N 1.319 109.739 108.800 -0.633 0.000 2.696 275 G HA2 0.753 4.712 3.960 -0.001 0.000 0.295 275 G HA3 0.753 4.712 3.960 -0.001 0.000 0.295 275 G C -1.854 172.769 174.900 -0.462 0.000 1.398 275 G CA -0.595 44.038 45.100 -0.779 0.000 0.920 275 G HN 0.972 nan 8.290 nan 0.000 0.492 276 W N 0.249 121.222 121.300 -0.544 0.000 3.275 276 W HA 0.670 5.330 4.660 -0.001 0.000 0.306 276 W C -2.062 174.210 176.519 -0.410 0.000 1.259 276 W CA -1.957 55.130 57.345 -0.430 0.000 1.194 276 W CB 0.774 30.071 29.460 -0.272 0.000 1.375 276 W HN 0.540 nan 8.180 nan 0.000 0.564 277 Y N 1.748 122.079 120.300 0.051 0.000 2.308 277 Y HA 0.527 5.076 4.550 -0.001 0.000 0.329 277 Y C 0.471 176.490 175.900 0.198 0.000 1.111 277 Y CA -1.158 56.952 58.100 0.017 0.000 1.179 277 Y CB 1.465 39.950 38.460 0.041 0.000 1.201 277 Y HN 0.211 nan 8.280 nan 0.000 0.483 278 V N 3.203 123.329 119.914 0.353 0.000 2.472 278 V HA 0.107 4.226 4.120 -0.001 0.000 0.290 278 V C -0.379 175.879 176.094 0.274 0.000 1.037 278 V CA -1.121 61.403 62.300 0.373 0.000 0.908 278 V CB 1.291 33.362 31.823 0.413 0.000 0.985 278 V HN 0.864 nan 8.190 nan 0.000 0.454 279 D N 3.429 123.977 120.400 0.248 0.000 2.735 279 D HA -0.178 4.461 4.640 -0.001 0.000 0.235 279 D C 0.212 176.596 176.300 0.141 0.000 1.175 279 D CA 0.956 55.063 54.000 0.179 0.000 0.683 279 D CB -0.339 40.555 40.800 0.156 0.000 1.008 279 D HN 0.849 nan 8.370 nan 0.000 0.416 280 E N -0.792 119.494 120.200 0.143 0.000 4.139 280 E HA 0.225 4.574 4.350 -0.001 0.000 0.227 280 E C -1.969 174.681 176.600 0.083 0.000 1.187 280 E CA -1.074 55.371 56.400 0.076 0.000 1.324 280 E CB 0.904 30.609 29.700 0.009 0.000 1.207 280 E HN 0.009 nan 8.360 nan 0.000 0.422 281 P HA -0.079 nan 4.420 nan 0.000 0.216 281 P C 1.417 178.759 177.300 0.070 0.000 1.150 281 P CA 1.206 64.365 63.100 0.099 0.000 0.837 281 P CB 0.313 32.070 31.700 0.095 0.000 0.786 282 G N 0.231 109.058 108.800 0.045 0.000 2.450 282 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.220 282 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.220 282 G C 1.738 176.655 174.900 0.029 0.000 1.130 282 G CA 1.339 46.456 45.100 0.028 0.000 0.760 282 G HN 0.431 nan 8.290 nan 0.000 0.557 283 S N 0.276 115.995 115.700 0.033 0.000 2.383 283 S HA -0.043 4.426 4.470 -0.001 0.000 0.227 283 S C 2.259 176.926 174.600 0.113 0.000 1.026 283 S CA 1.314 59.553 58.200 0.066 0.000 0.981 283 S CB -0.297 62.933 63.200 0.049 0.000 0.818 283 S HN 0.217 nan 8.310 nan 0.000 0.472 284 L N 0.746 122.038 121.223 0.116 0.000 2.156 284 L HA 0.284 4.623 4.340 -0.001 0.000 0.208 284 L C 2.175 179.047 176.870 0.005 0.000 1.095 284 L CA 1.202 56.109 54.840 0.110 0.000 0.770 284 L CB -0.911 41.195 42.059 0.079 0.000 0.914 284 L HN 0.399 nan 8.230 nan 0.000 0.439 285 L N 0.056 121.282 121.223 0.005 0.000 2.046 285 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 285 L C 2.486 179.315 176.870 -0.069 0.000 1.077 285 L CA 2.103 56.925 54.840 -0.030 0.000 0.747 285 L CB -1.015 41.044 42.059 0.000 0.000 0.896 285 L HN 0.269 nan 8.230 nan 0.000 0.432 286 A N -1.490 121.309 122.820 -0.035 0.000 1.930 286 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 286 A C 2.177 179.713 177.584 -0.080 0.000 1.175 286 A CA 1.906 53.926 52.037 -0.028 0.000 0.627 286 A CB -0.818 18.199 19.000 0.028 0.000 0.815 286 A HN 0.323 nan 8.150 nan 0.000 0.443 287 V N -1.116 118.703 119.914 -0.158 0.000 2.426 287 V HA -0.043 4.077 4.120 -0.001 0.000 0.242 287 V C 2.102 177.894 176.094 -0.504 0.000 1.036 287 V CA 1.515 63.593 62.300 -0.369 0.000 1.044 287 V CB -0.303 31.122 31.823 -0.662 0.000 0.688 287 V HN 0.490 nan 8.190 nan 0.000 0.462 288 M N -0.729 118.583 119.600 -0.479 0.000 2.306 288 M HA 0.386 4.865 4.480 -0.001 0.000 0.292 288 M C 0.933 176.776 176.300 -0.762 0.000 1.018 288 M CA 0.815 55.723 55.300 -0.653 0.000 1.007 288 M CB 0.275 32.667 32.600 -0.348 0.000 1.510 288 M HN 0.485 nan 8.290 nan 0.000 0.537 289 G N 1.807 110.301 108.800 -0.510 0.000 2.828 289 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.463 289 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.463 289 G C -2.511 172.316 174.900 -0.121 0.000 1.394 289 G CA -0.729 44.207 45.100 -0.274 0.000 0.862 289 G HN 0.128 nan 8.290 nan 0.000 0.540 290 P HA 0.051 nan 4.420 nan 0.000 0.218 290 P C 1.809 179.128 177.300 0.032 0.000 1.152 290 P CA 1.468 64.572 63.100 0.006 0.000 0.826 290 P CB 0.024 31.736 31.700 0.019 0.000 0.790 291 K N -0.313 120.104 120.400 0.029 0.000 2.026 291 K HA -0.077 4.242 4.320 -0.001 0.000 0.208 291 K C 1.989 178.643 176.600 0.089 0.000 1.048 291 K CA 1.204 57.526 56.287 0.058 0.000 0.929 291 K CB -1.401 31.125 32.500 0.044 0.000 0.713 291 K HN -0.072 nan 8.250 nan 0.000 0.439 292 V N 0.852 120.771 119.914 0.008 0.000 2.427 292 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 292 V C 1.901 178.106 176.094 0.185 0.000 1.051 292 V CA 2.156 64.466 62.300 0.016 0.000 1.048 292 V CB -0.699 30.940 31.823 -0.308 0.000 0.666 292 V HN 0.412 nan 8.190 nan 0.000 0.456 293 T N -0.322 114.296 114.554 0.107 0.000 2.708 293 T HA -0.307 4.042 4.350 -0.001 0.000 0.266 293 T C 1.913 176.745 174.700 0.219 0.000 1.037 293 T CA 2.002 64.195 62.100 0.156 0.000 1.146 293 T CB -0.264 68.653 68.868 0.082 0.000 0.865 293 T HN 0.507 nan 8.240 nan 0.000 0.435 294 Q N 0.232 120.137 119.800 0.175 0.000 2.061 294 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 294 Q C 2.026 178.154 176.000 0.213 0.000 0.984 294 Q CA 1.770 57.672 55.803 0.165 0.000 0.846 294 Q CB -0.656 28.162 28.738 0.133 0.000 0.902 294 Q HN 0.694 nan 8.270 nan 0.000 0.421 295 Y N -0.841 119.550 120.300 0.153 0.000 2.224 295 Y HA -0.235 4.314 4.550 -0.001 0.000 0.289 295 Y C 1.867 177.902 175.900 0.224 0.000 1.146 295 Y CA 1.865 60.071 58.100 0.177 0.000 1.182 295 Y CB -0.315 38.272 38.460 0.212 0.000 0.983 295 Y HN 0.406 nan 8.280 nan 0.000 0.524 296 W N 0.729 122.116 121.300 0.146 0.000 2.518 296 W HA -0.105 4.554 4.660 -0.001 0.000 0.273 296 W C 1.680 178.201 176.519 0.004 0.000 1.247 296 W CA 2.128 59.519 57.345 0.076 0.000 1.288 296 W CB -0.031 29.531 29.460 0.170 0.000 1.107 296 W HN 0.318 nan 8.180 nan 0.000 0.586 297 T N -2.827 111.833 114.554 0.177 0.000 3.026 297 T HA 0.116 4.465 4.350 -0.001 0.000 0.245 297 T C 0.318 175.030 174.700 0.020 0.000 1.004 297 T CA 0.141 62.303 62.100 0.104 0.000 1.069 297 T CB 0.434 69.407 68.868 0.176 0.000 1.005 297 T HN -0.226 nan 8.240 nan 0.000 0.472 298 E N 0.918 121.131 120.200 0.022 0.000 2.277 298 E HA 0.627 4.976 4.350 -0.001 0.000 0.266 298 E C 0.366 176.950 176.600 -0.027 0.000 0.901 298 E CA -0.321 56.080 56.400 0.002 0.000 0.782 298 E CB 1.773 31.492 29.700 0.031 0.000 1.228 298 E HN 0.596 nan 8.360 nan 0.000 0.424 299 G N 1.815 110.595 108.800 -0.032 0.000 2.631 299 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.504 299 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.504 299 G C -2.241 172.617 174.900 -0.070 0.000 1.306 299 G CA -0.441 44.638 45.100 -0.035 0.000 0.897 299 G HN 0.401 nan 8.290 nan 0.000 0.520 300 P HA -0.021 nan 4.420 nan 0.000 0.214 300 P C 2.350 179.581 177.300 -0.116 0.000 1.163 300 P CA 3.210 66.270 63.100 -0.066 0.000 0.883 300 P CB -0.167 31.514 31.700 -0.032 0.000 0.788 301 A N -0.167 122.556 122.820 -0.163 0.000 1.902 301 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 301 A C 2.345 179.718 177.584 -0.352 0.000 1.181 301 A CA 2.243 54.119 52.037 -0.267 0.000 0.623 301 A CB -1.637 17.106 19.000 -0.428 0.000 0.818 301 A HN 0.203 nan 8.150 nan 0.000 0.443 302 A N -0.273 122.324 122.820 -0.372 0.000 1.930 302 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 302 A C 1.896 179.327 177.584 -0.255 0.000 1.175 302 A CA 1.542 53.365 52.037 -0.356 0.000 0.627 302 A CB -0.471 18.364 19.000 -0.275 0.000 0.815 302 A HN 0.636 nan 8.150 nan 0.000 0.443 303 E N -0.856 119.236 120.200 -0.180 0.000 2.208 303 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 303 E C 1.828 178.349 176.600 -0.131 0.000 0.988 303 E CA 0.873 57.194 56.400 -0.133 0.000 0.828 303 E CB -0.138 29.506 29.700 -0.093 0.000 0.763 303 E HN 0.512 nan 8.360 nan 0.000 0.478 304 L N 0.856 121.994 121.223 -0.143 0.000 2.095 304 L HA 0.024 4.363 4.340 -0.001 0.000 0.204 304 L C 2.187 178.974 176.870 -0.139 0.000 1.080 304 L CA 1.748 56.515 54.840 -0.121 0.000 0.759 304 L CB -0.652 41.343 42.059 -0.106 0.000 0.914 304 L HN -0.015 nan 8.230 nan 0.000 0.439 305 A N -0.523 122.180 122.820 -0.195 0.000 1.908 305 A HA -0.290 4.029 4.320 -0.001 0.000 0.218 305 A C 2.307 179.771 177.584 -0.199 0.000 1.181 305 A CA 1.865 53.770 52.037 -0.220 0.000 0.627 305 A CB -0.783 18.012 19.000 -0.341 0.000 0.818 305 A HN 0.622 nan 8.150 nan 0.000 0.445 306 E N -0.776 119.304 120.200 -0.200 0.000 2.085 306 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 306 E C 2.159 178.684 176.600 -0.125 0.000 0.994 306 E CA 1.468 57.769 56.400 -0.166 0.000 0.801 306 E CB -0.098 29.514 29.700 -0.148 0.000 0.743 306 E HN 0.568 nan 8.360 nan 0.000 0.453 307 Q N 0.281 120.018 119.800 -0.104 0.000 2.046 307 Q HA -0.121 4.219 4.340 -0.001 0.000 0.200 307 Q C 2.265 178.237 176.000 -0.048 0.000 0.975 307 Q CA 1.428 57.188 55.803 -0.071 0.000 0.836 307 Q CB -0.303 28.397 28.738 -0.064 0.000 0.896 307 Q HN 0.328 nan 8.270 nan 0.000 0.428 308 R N 0.008 120.475 120.500 -0.055 0.000 2.189 308 R HA -0.007 4.333 4.340 -0.001 0.000 0.223 308 R C 1.827 178.147 176.300 0.033 0.000 1.092 308 R CA 0.585 56.676 56.100 -0.016 0.000 0.989 308 R CB -0.063 30.210 30.300 -0.045 0.000 0.876 308 R HN 0.144 nan 8.270 nan 0.000 0.457 309 L N -0.559 120.622 121.223 -0.071 0.000 2.607 309 L HA 0.173 4.513 4.340 -0.001 0.000 0.228 309 L C 1.998 178.707 176.870 -0.268 0.000 1.123 309 L CA -0.147 54.579 54.840 -0.189 0.000 0.890 309 L CB 0.521 42.447 42.059 -0.221 0.000 1.103 309 L HN 0.207 nan 8.230 nan 0.000 0.468 310 G N -0.191 108.536 108.800 -0.122 0.000 2.450 310 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.220 310 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.220 310 G C 1.444 176.278 174.900 -0.109 0.000 1.130 310 G CA 0.896 45.931 45.100 -0.108 0.000 0.760 310 G HN 0.636 nan 8.290 nan 0.000 0.557 311 H N 0.578 119.595 119.070 -0.088 0.000 2.545 311 H HA -0.046 4.510 4.556 -0.001 0.000 0.282 311 H C 2.034 177.309 175.328 -0.088 0.000 1.020 311 H CA 1.665 57.666 56.048 -0.077 0.000 1.243 311 H CB -0.733 28.988 29.762 -0.068 0.000 1.377 311 H HN 0.447 nan 8.280 nan 0.000 0.581 312 T N -3.973 110.231 114.554 -0.584 0.000 3.051 312 T HA 0.307 4.657 4.350 -0.001 0.000 0.255 312 T C 1.862 176.397 174.700 -0.275 0.000 1.085 312 T CA 0.841 62.674 62.100 -0.446 0.000 1.109 312 T CB -0.128 68.397 68.868 -0.570 0.000 0.921 312 T HN 0.558 nan 8.240 nan 0.000 0.488 313 G N 1.567 110.223 108.800 -0.240 0.000 2.199 313 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.254 313 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.254 313 G C 0.092 174.857 174.900 -0.226 0.000 0.982 313 G CA 0.161 45.150 45.100 -0.186 0.000 0.632 313 G HN 0.580 nan 8.290 nan 0.000 0.529 314 M N 2.387 121.829 119.600 -0.263 0.000 2.188 314 M HA 0.284 4.763 4.480 -0.001 0.000 0.354 314 M C -1.855 174.328 176.300 -0.195 0.000 1.342 314 M CA -1.282 53.859 55.300 -0.265 0.000 1.117 314 M CB 0.691 33.151 32.600 -0.232 0.000 1.670 314 M HN -0.035 nan 8.290 nan 0.000 0.466 315 P HA 0.082 nan 4.420 nan 0.000 0.244 315 P C 0.679 177.971 177.300 -0.013 0.000 1.769 315 P CA -0.077 62.977 63.100 -0.078 0.000 1.102 315 P CB -0.118 31.554 31.700 -0.046 0.000 1.937 316 V N 3.312 123.178 119.914 -0.079 0.000 2.380 316 V HA -0.268 3.851 4.120 -0.001 0.000 0.251 316 V C 2.590 178.659 176.094 -0.042 0.000 1.063 316 V CA 1.764 64.013 62.300 -0.085 0.000 1.055 316 V CB -0.970 30.727 31.823 -0.210 0.000 0.657 316 V HN 0.433 nan 8.190 nan 0.000 0.455 317 R N -0.083 120.366 120.500 -0.086 0.000 2.193 317 R HA -0.103 4.237 4.340 -0.001 0.000 0.229 317 R C 2.259 178.644 176.300 0.143 0.000 1.110 317 R CA 1.096 57.170 56.100 -0.043 0.000 0.988 317 R CB -0.261 30.000 30.300 -0.064 0.000 0.871 317 R HN 0.532 nan 8.270 nan 0.000 0.458 318 R N -0.503 120.094 120.500 0.163 0.000 2.290 318 R HA 0.197 4.536 4.340 -0.001 0.000 0.197 318 R C 0.410 176.900 176.300 0.316 0.000 0.913 318 R CA 0.097 56.334 56.100 0.228 0.000 1.040 318 R CB 0.321 30.744 30.300 0.205 0.000 0.992 318 R HN 0.043 nan 8.270 nan 0.000 0.500 319 M N 2.014 121.814 119.600 0.333 0.000 2.077 319 M HA 0.166 4.646 4.480 -0.001 0.000 0.348 319 M C -0.424 176.102 176.300 0.377 0.000 1.252 319 M CA -0.422 55.081 55.300 0.339 0.000 1.096 319 M CB 1.327 34.001 32.600 0.124 0.000 1.568 319 M HN -0.111 nan 8.290 nan 0.000 0.456 320 V N 0.140 120.229 119.914 0.291 0.000 3.155 320 V HA 0.962 5.081 4.120 -0.001 0.000 0.313 320 V C 0.709 176.851 176.094 0.079 0.000 1.162 320 V CA -0.242 62.125 62.300 0.112 0.000 1.048 320 V CB 1.270 33.176 31.823 0.139 0.000 1.092 320 V HN 0.973 nan 8.190 nan 0.000 0.447 321 G N 0.278 109.031 108.800 -0.078 0.000 2.296 321 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.282 321 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.282 321 G C 0.258 175.033 174.900 -0.209 0.000 1.014 321 G CA 1.080 46.143 45.100 -0.061 0.000 0.812 321 G HN 1.260 nan 8.290 nan 0.000 0.508 322 Q N 0.110 119.733 119.800 -0.295 0.000 2.364 322 Q HA 0.427 4.766 4.340 -0.001 0.000 0.267 322 Q C 0.563 176.497 176.000 -0.110 0.000 0.999 322 Q CA 0.046 55.759 55.803 -0.149 0.000 0.886 322 Q CB 0.274 28.981 28.738 -0.052 0.000 1.243 322 Q HN 0.861 nan 8.270 nan 0.000 0.415 323 H N 1.880 120.943 119.070 -0.012 0.000 2.690 323 H HA 0.721 5.276 4.556 -0.001 0.000 0.368 323 H C -1.174 174.208 175.328 0.090 0.000 1.150 323 H CA -1.098 54.973 56.048 0.039 0.000 1.174 323 H CB 1.430 31.172 29.762 -0.033 0.000 1.684 323 H HN 0.608 nan 8.280 nan 0.000 0.538 324 M N 2.080 121.777 119.600 0.163 0.000 2.413 324 M HA 0.440 4.919 4.480 -0.001 0.000 0.287 324 M C -1.812 174.367 176.300 -0.200 0.000 1.186 324 M CA -0.239 55.029 55.300 -0.053 0.000 0.927 324 M CB 2.542 35.045 32.600 -0.161 0.000 1.715 324 M HN 0.865 nan 8.290 nan 0.000 0.478 325 T N 4.796 119.332 114.554 -0.031 0.000 2.824 325 T HA 0.574 4.924 4.350 -0.001 0.000 0.282 325 T C -0.780 173.985 174.700 0.108 0.000 0.993 325 T CA -0.506 61.614 62.100 0.034 0.000 0.967 325 T CB 1.136 70.131 68.868 0.213 0.000 0.960 325 T HN 0.424 nan 8.240 nan 0.000 0.441 326 I N 3.958 124.615 120.570 0.146 0.000 2.306 326 I HA 0.281 4.450 4.170 -0.001 0.000 0.288 326 I C 0.225 176.637 176.117 0.491 0.000 1.036 326 I CA -1.065 60.451 61.300 0.359 0.000 1.221 326 I CB 0.063 38.242 38.000 0.298 0.000 1.385 326 I HN 0.647 nan 8.210 nan 0.000 0.472 327 F N 10.321 130.520 119.950 0.414 0.000 2.629 327 F HA 0.082 4.609 4.527 -0.001 0.000 0.377 327 F C -1.268 174.742 175.800 0.350 0.000 1.101 327 F CA -0.406 57.736 58.000 0.237 0.000 1.301 327 F CB 0.656 39.627 39.000 -0.049 0.000 1.062 327 F HN 0.388 nan 8.300 nan 0.000 0.583 328 P HA -0.001 nan 4.420 nan 0.000 0.216 328 P C 0.499 177.728 177.300 -0.119 0.000 1.151 328 P CA 1.371 63.884 63.100 -0.980 0.000 0.863 328 P CB 0.075 30.876 31.700 -1.499 0.000 0.790 329 T N -4.065 110.501 114.554 0.021 0.000 3.266 329 T HA 0.279 4.628 4.350 -0.001 0.000 0.278 329 T C 0.056 174.862 174.700 0.177 0.000 1.010 329 T CA -0.535 61.749 62.100 0.306 0.000 0.909 329 T CB -1.554 67.459 68.868 0.242 0.000 1.122 329 T HN 0.021 nan 8.240 nan 0.000 0.536 330 C N 2.174 121.585 119.300 0.186 0.000 2.251 330 C HA 0.801 5.261 4.460 -0.001 0.000 0.323 330 C C -0.263 174.755 174.990 0.047 0.000 1.241 330 C CA -0.121 58.969 59.018 0.119 0.000 1.601 330 C CB -0.637 27.309 27.740 0.343 0.000 2.251 330 C HN 0.608 nan 8.230 nan 0.000 0.488 331 S N 4.667 120.279 115.700 -0.146 0.000 2.536 331 S HA 0.930 5.400 4.470 -0.001 0.000 0.287 331 S C -1.006 173.473 174.600 -0.201 0.000 1.101 331 S CA -0.384 57.681 58.200 -0.225 0.000 0.950 331 S CB 1.324 64.436 63.200 -0.146 0.000 1.056 331 S HN 0.782 nan 8.310 nan 0.000 0.481 332 F N -0.454 119.568 119.950 0.119 0.000 2.711 332 F HA 0.709 5.236 4.527 -0.001 0.000 0.313 332 F C -1.653 174.306 175.800 0.266 0.000 1.141 332 F CA -1.462 56.604 58.000 0.109 0.000 0.941 332 F CB 0.911 39.922 39.000 0.019 0.000 1.349 332 F HN 0.279 nan 8.300 nan 0.000 0.464 333 L N 1.870 123.334 121.223 0.402 0.000 2.387 333 L HA 0.395 4.734 4.340 -0.001 0.000 0.259 333 L C -2.117 174.788 176.870 0.059 0.000 1.050 333 L CA -1.562 53.379 54.840 0.170 0.000 0.922 333 L CB 1.246 43.350 42.059 0.074 0.000 1.280 333 L HN 0.382 nan 8.230 nan 0.000 0.449 334 P HA -0.154 nan 4.420 nan 0.000 0.216 334 P C 1.395 178.671 177.300 -0.039 0.000 1.150 334 P CA 1.383 64.555 63.100 0.120 0.000 0.843 334 P CB 0.189 32.019 31.700 0.216 0.000 0.787 335 T N -1.709 112.604 114.554 -0.402 0.000 2.867 335 T HA -0.059 4.291 4.350 -0.001 0.000 0.268 335 T C 1.231 175.634 174.700 -0.495 0.000 1.057 335 T CA 1.160 62.709 62.100 -0.918 0.000 1.136 335 T CB -0.849 67.357 68.868 -1.103 0.000 0.874 335 T HN 0.192 nan 8.240 nan 0.000 0.466 336 F N 0.788 120.708 119.950 -0.049 0.000 2.749 336 F HA 0.302 4.829 4.527 -0.001 0.000 0.300 336 F C 0.802 176.765 175.800 0.272 0.000 1.103 336 F CA -0.748 57.331 58.000 0.132 0.000 1.342 336 F CB -0.230 38.834 39.000 0.107 0.000 1.098 336 F HN -0.026 nan 8.300 nan 0.000 0.586 337 N N 1.066 119.919 118.700 0.254 0.000 2.741 337 N HA -0.260 4.479 4.740 -0.001 0.000 0.251 337 N C -0.461 175.106 175.510 0.095 0.000 1.112 337 N CA 0.496 53.610 53.050 0.105 0.000 0.750 337 N CB -1.834 36.606 38.487 -0.078 0.000 1.119 337 N HN 0.424 nan 8.380 nan 0.000 0.561 338 N N 0.618 119.403 118.700 0.143 0.000 2.479 338 N HA 0.408 5.148 4.740 -0.001 0.000 0.285 338 N C -0.593 174.914 175.510 -0.005 0.000 1.075 338 N CA -0.046 53.053 53.050 0.082 0.000 0.967 338 N CB 0.781 39.316 38.487 0.081 0.000 1.137 338 N HN 0.161 nan 8.380 nan 0.000 0.472 339 I N 3.162 123.604 120.570 -0.212 0.000 2.498 339 I HA 0.391 4.560 4.170 -0.001 0.000 0.290 339 I C -0.331 175.537 176.117 -0.415 0.000 1.032 339 I CA -0.883 60.205 61.300 -0.353 0.000 1.073 339 I CB 1.823 39.321 38.000 -0.837 0.000 1.251 339 I HN 0.308 nan 8.210 nan 0.000 0.426 340 R N 6.853 127.080 120.500 -0.456 0.000 2.534 340 R HA 0.652 4.991 4.340 -0.001 0.000 0.301 340 R C -1.083 174.693 176.300 -0.873 0.000 0.961 340 R CA -0.749 54.883 56.100 -0.779 0.000 0.871 340 R CB 2.196 31.674 30.300 -1.369 0.000 1.170 340 R HN 0.565 nan 8.270 nan 0.000 0.446 341 I N 2.440 122.577 120.570 -0.721 0.000 2.355 341 I HA 0.347 4.516 4.170 -0.001 0.000 0.288 341 I C -0.566 175.051 176.117 -0.834 0.000 0.999 341 I CA -0.819 60.075 61.300 -0.676 0.000 1.163 341 I CB 1.048 38.828 38.000 -0.366 0.000 1.316 341 I HN 0.342 nan 8.210 nan 0.000 0.454 342 W N 4.967 126.065 121.300 -0.336 0.000 2.338 342 W HA 0.398 5.057 4.660 -0.001 0.000 0.307 342 W C 0.103 176.344 176.519 -0.463 0.000 1.167 342 W CA -0.570 56.586 57.345 -0.315 0.000 1.208 342 W CB 0.302 29.707 29.460 -0.092 0.000 1.228 342 W HN 0.352 nan 8.180 nan 0.000 0.499 343 H N 3.861 122.876 119.070 -0.092 0.000 2.504 343 H HA 0.260 4.815 4.556 -0.001 0.000 0.322 343 H C -2.110 173.093 175.328 -0.207 0.000 1.055 343 H CA -2.458 53.415 56.048 -0.291 0.000 1.231 343 H CB 1.092 30.527 29.762 -0.545 0.000 1.417 343 H HN 0.082 nan 8.280 nan 0.000 0.472 344 P HA 0.141 nan 4.420 nan 0.000 0.271 344 P C 0.209 177.479 177.300 -0.051 0.000 1.216 344 P CA -0.461 62.579 63.100 -0.100 0.000 0.771 344 P CB 1.246 32.733 31.700 -0.356 0.000 0.864 345 R N 2.037 122.522 120.500 -0.025 0.000 2.711 345 R HA 0.479 4.818 4.340 -0.001 0.000 0.350 345 R C 0.578 176.757 176.300 -0.202 0.000 1.146 345 R CA -0.196 55.858 56.100 -0.077 0.000 1.190 345 R CB 0.333 30.600 30.300 -0.054 0.000 1.312 345 R HN 0.924 nan 8.270 nan 0.000 0.635 346 G N 1.586 110.043 108.800 -0.572 0.000 2.592 346 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.684 346 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.684 346 G C -2.232 172.132 174.900 -0.894 0.000 1.291 346 G CA -0.747 43.721 45.100 -1.054 0.000 0.891 346 G HN -0.012 nan 8.290 nan 0.000 0.544 347 P HA 0.017 nan 4.420 nan 0.000 0.225 347 P C 0.834 178.108 177.300 -0.043 0.000 1.156 347 P CA 1.066 64.076 63.100 -0.151 0.000 0.787 347 P CB 0.070 31.753 31.700 -0.028 0.000 0.802 348 N N -0.227 118.432 118.700 -0.068 0.000 2.214 348 N HA 0.111 4.851 4.740 -0.001 0.000 0.214 348 N C 0.072 175.593 175.510 0.018 0.000 1.132 348 N CA 0.220 53.272 53.050 0.004 0.000 0.856 348 N CB 0.925 39.415 38.487 0.006 0.000 1.020 348 N HN 0.345 nan 8.380 nan 0.000 0.509 349 E N 0.627 120.830 120.200 0.005 0.000 2.375 349 E HA 0.392 4.742 4.350 -0.001 0.000 0.280 349 E C -1.476 175.159 176.600 0.058 0.000 0.972 349 E CA -0.605 55.817 56.400 0.037 0.000 0.782 349 E CB 2.066 31.775 29.700 0.015 0.000 1.229 349 E HN 0.100 nan 8.360 nan 0.000 0.439 350 I N -1.066 119.561 120.570 0.096 0.000 2.969 350 I HA 0.592 4.761 4.170 -0.001 0.000 0.307 350 I C -0.784 175.403 176.117 0.118 0.000 1.149 350 I CA -0.894 60.473 61.300 0.112 0.000 1.008 350 I CB 2.278 40.367 38.000 0.149 0.000 1.232 350 I HN 0.316 nan 8.210 nan 0.000 0.435 351 E N 2.816 123.080 120.200 0.106 0.000 2.179 351 E HA 0.540 4.890 4.350 -0.001 0.000 0.275 351 E C -1.287 175.381 176.600 0.113 0.000 0.945 351 E CA -0.946 55.544 56.400 0.150 0.000 0.792 351 E CB 2.849 32.691 29.700 0.237 0.000 1.125 351 E HN 0.432 nan 8.360 nan 0.000 0.397 352 V N 3.493 123.395 119.914 -0.020 0.000 2.347 352 V HA 0.242 4.362 4.120 -0.001 0.000 0.280 352 V C -1.023 174.995 176.094 -0.126 0.000 1.021 352 V CA -0.757 61.377 62.300 -0.277 0.000 0.847 352 V CB 0.322 31.602 31.823 -0.904 0.000 0.990 352 V HN 0.604 nan 8.190 nan 0.000 0.444 353 W N 3.600 124.658 121.300 -0.403 0.000 2.411 353 W HA 0.798 5.458 4.660 -0.001 0.000 0.317 353 W C 0.068 176.505 176.519 -0.138 0.000 1.030 353 W CA -0.899 56.343 57.345 -0.173 0.000 1.239 353 W CB 1.721 31.156 29.460 -0.041 0.000 1.304 353 W HN 0.642 nan 8.180 nan 0.000 0.437 354 A N 4.862 127.796 122.820 0.190 0.000 2.386 354 A HA 0.977 5.296 4.320 -0.001 0.000 0.311 354 A C -1.402 176.405 177.584 0.371 0.000 1.068 354 A CA -0.572 51.580 52.037 0.192 0.000 0.743 354 A CB 1.229 20.368 19.000 0.232 0.000 1.258 354 A HN 0.610 nan 8.150 nan 0.000 0.429 355 F N -1.112 118.915 119.950 0.128 0.000 2.715 355 F HA 0.858 5.385 4.527 -0.001 0.000 0.318 355 F C -0.441 175.438 175.800 0.131 0.000 1.141 355 F CA -0.830 57.254 58.000 0.141 0.000 0.950 355 F CB 1.391 40.492 39.000 0.168 0.000 1.374 355 F HN 0.372 nan 8.300 nan 0.000 0.477 356 T N 2.530 117.238 114.554 0.256 0.000 2.829 356 T HA 0.627 4.976 4.350 -0.001 0.000 0.280 356 T C -0.575 174.183 174.700 0.097 0.000 0.999 356 T CA -0.606 61.567 62.100 0.122 0.000 0.983 356 T CB 1.593 70.559 68.868 0.163 0.000 0.968 356 T HN 0.541 nan 8.240 nan 0.000 0.446 357 L N 2.811 124.023 121.223 -0.019 0.000 2.352 357 L HA 0.877 5.216 4.340 -0.001 0.000 0.269 357 L C -0.240 176.518 176.870 -0.186 0.000 1.034 357 L CA -1.144 53.639 54.840 -0.094 0.000 0.806 357 L CB 1.521 43.519 42.059 -0.102 0.000 1.244 357 L HN 0.466 nan 8.230 nan 0.000 0.447 358 V N -2.568 117.230 119.914 -0.192 0.000 3.012 358 V HA 0.417 4.536 4.120 -0.001 0.000 0.307 358 V C -0.952 175.061 176.094 -0.135 0.000 1.166 358 V CA -1.152 61.004 62.300 -0.240 0.000 0.974 358 V CB 1.982 33.697 31.823 -0.180 0.000 1.040 358 V HN 0.561 nan 8.190 nan 0.000 0.428 359 D N 2.275 122.623 120.400 -0.087 0.000 2.493 359 D HA 0.283 4.923 4.640 -0.001 0.000 0.240 359 D C 1.308 177.601 176.300 -0.013 0.000 1.142 359 D CA 0.836 54.831 54.000 -0.008 0.000 0.872 359 D CB 1.962 42.813 40.800 0.084 0.000 1.173 359 D HN 0.950 nan 8.370 nan 0.000 0.467 360 A N 3.417 126.230 122.820 -0.011 0.000 1.940 360 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 360 A C 1.479 179.065 177.584 0.003 0.000 1.176 360 A CA 1.691 53.721 52.037 -0.012 0.000 0.631 360 A CB -0.121 18.874 19.000 -0.008 0.000 0.814 360 A HN 0.629 nan 8.150 nan 0.000 0.446 361 D N -0.459 119.954 120.400 0.022 0.000 2.349 361 D HA 0.368 5.007 4.640 -0.001 0.000 0.214 361 D C 0.655 176.991 176.300 0.060 0.000 1.063 361 D CA 0.391 54.412 54.000 0.034 0.000 0.847 361 D CB -0.677 40.143 40.800 0.033 0.000 0.933 361 D HN 0.379 nan 8.370 nan 0.000 0.513 362 A N 2.000 124.860 122.820 0.067 0.000 2.531 362 A HA 0.329 4.649 4.320 -0.001 0.000 0.236 362 A C -1.958 175.650 177.584 0.041 0.000 1.062 362 A CA -0.837 51.248 52.037 0.079 0.000 0.760 362 A CB -0.341 18.650 19.000 -0.015 0.000 0.995 362 A HN 0.128 nan 8.150 nan 0.000 0.501 363 P HA 0.066 nan 4.420 nan 0.000 0.265 363 P C 0.846 178.153 177.300 0.012 0.000 1.187 363 P CA 0.767 63.891 63.100 0.040 0.000 0.766 363 P CB 0.619 32.356 31.700 0.062 0.000 0.820 364 A N 3.144 125.974 122.820 0.016 0.000 1.986 364 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 364 A C 2.195 179.787 177.584 0.013 0.000 1.171 364 A CA 1.902 53.947 52.037 0.012 0.000 0.640 364 A CB -1.090 17.918 19.000 0.012 0.000 0.811 364 A HN 0.695 nan 8.150 nan 0.000 0.451 365 E N -0.361 119.848 120.200 0.015 0.000 2.072 365 E HA -0.165 4.185 4.350 -0.001 0.000 0.191 365 E C 1.748 178.354 176.600 0.010 0.000 0.985 365 E CA 1.234 57.644 56.400 0.016 0.000 0.801 365 E CB -0.118 29.596 29.700 0.023 0.000 0.750 365 E HN 0.520 nan 8.360 nan 0.000 0.452 366 I N 1.378 121.939 120.570 -0.014 0.000 2.353 366 I HA -0.202 3.967 4.170 -0.001 0.000 0.248 366 I C 2.219 178.374 176.117 0.063 0.000 1.119 366 I CA 1.214 62.479 61.300 -0.058 0.000 1.417 366 I CB -0.844 36.977 38.000 -0.299 0.000 1.078 366 I HN 0.111 nan 8.210 nan 0.000 0.421 367 K N 0.485 120.913 120.400 0.047 0.000 2.103 367 K HA -0.240 4.080 4.320 -0.001 0.000 0.207 367 K C 2.026 178.692 176.600 0.110 0.000 1.048 367 K CA 1.455 57.794 56.287 0.088 0.000 0.930 367 K CB -0.081 32.434 32.500 0.025 0.000 0.716 367 K HN 0.096 nan 8.250 nan 0.000 0.444 368 E N 1.271 121.508 120.200 0.062 0.000 2.106 368 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 368 E C 1.705 178.328 176.600 0.040 0.000 0.984 368 E CA 1.283 57.707 56.400 0.040 0.000 0.806 368 E CB 0.077 29.785 29.700 0.014 0.000 0.750 368 E HN 0.153 nan 8.360 nan 0.000 0.458 369 E N -0.544 119.687 120.200 0.051 0.000 2.077 369 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 369 E C 2.024 178.682 176.600 0.097 0.000 0.989 369 E CA 0.956 57.393 56.400 0.063 0.000 0.800 369 E CB -0.421 29.292 29.700 0.022 0.000 0.746 369 E HN 0.476 nan 8.360 nan 0.000 0.452 370 Y N 0.916 121.269 120.300 0.089 0.000 2.200 370 Y HA -0.144 4.406 4.550 -0.001 0.000 0.290 370 Y C 2.758 178.717 175.900 0.098 0.000 1.137 370 Y CA 1.524 59.689 58.100 0.109 0.000 1.163 370 Y CB -0.097 38.408 38.460 0.075 0.000 0.988 370 Y HN -0.036 nan 8.280 nan 0.000 0.518 371 R N 1.025 121.652 120.500 0.212 0.000 2.080 371 R HA -0.205 4.134 4.340 -0.001 0.000 0.236 371 R C 2.424 178.761 176.300 0.061 0.000 1.137 371 R CA 2.171 58.347 56.100 0.127 0.000 0.943 371 R CB -0.251 30.097 30.300 0.079 0.000 0.846 371 R HN 0.396 nan 8.270 nan 0.000 0.431 372 R N -1.396 119.090 120.500 -0.024 0.000 2.189 372 R HA -0.087 4.252 4.340 -0.001 0.000 0.218 372 R C 1.273 177.444 176.300 -0.214 0.000 1.074 372 R CA 1.734 57.751 56.100 -0.137 0.000 0.991 372 R CB -0.409 29.761 30.300 -0.217 0.000 0.883 372 R HN 0.453 nan 8.270 nan 0.000 0.457 373 H N 0.074 119.122 119.070 -0.038 0.000 2.525 373 H HA 0.197 4.752 4.556 -0.001 0.000 0.275 373 H C 1.492 176.759 175.328 -0.103 0.000 0.984 373 H CA 0.650 56.635 56.048 -0.105 0.000 1.264 373 H CB 0.245 29.919 29.762 -0.147 0.000 1.432 373 H HN 0.329 nan 8.280 nan 0.000 0.549 374 N N 0.383 119.175 118.700 0.154 0.000 2.216 374 N HA -0.101 4.639 4.740 -0.001 0.000 0.183 374 N C 1.542 177.128 175.510 0.127 0.000 1.017 374 N CA 0.948 54.143 53.050 0.241 0.000 0.861 374 N CB 0.206 38.877 38.487 0.306 0.000 0.986 374 N HN 0.299 nan 8.380 nan 0.000 0.428 375 I N 1.131 121.733 120.570 0.054 0.000 2.163 375 I HA -0.244 3.925 4.170 -0.001 0.000 0.240 375 I C 2.708 178.788 176.117 -0.061 0.000 1.081 375 I CA 0.952 62.255 61.300 0.006 0.000 1.353 375 I CB -0.231 37.761 38.000 -0.013 0.000 1.054 375 I HN 0.071 nan 8.210 nan 0.000 0.407 376 R N 0.894 121.334 120.500 -0.099 0.000 2.105 376 R HA -0.177 4.162 4.340 -0.001 0.000 0.239 376 R C 1.879 178.078 176.300 -0.169 0.000 1.135 376 R CA 1.806 57.836 56.100 -0.116 0.000 0.967 376 R CB -0.054 30.189 30.300 -0.096 0.000 0.861 376 R HN 0.435 nan 8.270 nan 0.000 0.442 377 N N -1.174 117.308 118.700 -0.363 0.000 2.439 377 N HA -0.008 4.731 4.740 -0.001 0.000 0.176 377 N C 0.445 175.558 175.510 -0.662 0.000 1.029 377 N CA 0.882 53.494 53.050 -0.730 0.000 0.886 377 N CB 0.341 37.786 38.487 -1.737 0.000 1.057 377 N HN 0.156 nan 8.380 nan 0.000 0.437 378 F N 0.519 120.514 119.950 0.074 0.000 2.729 378 F HA 0.302 4.828 4.527 -0.001 0.000 0.315 378 F C 1.211 177.105 175.800 0.157 0.000 1.102 378 F CA -0.920 57.175 58.000 0.159 0.000 1.204 378 F CB -0.378 38.738 39.000 0.194 0.000 1.052 378 F HN -0.202 nan 8.300 nan 0.000 0.551 379 S N 0.577 116.346 115.700 0.114 0.000 2.641 379 S HA 0.536 5.006 4.470 -0.001 0.000 0.261 379 S C 1.731 176.057 174.600 -0.456 0.000 1.257 379 S CA -0.036 58.108 58.200 -0.094 0.000 0.983 379 S CB 1.074 64.223 63.200 -0.084 0.000 0.990 379 S HN 0.160 nan 8.310 nan 0.000 0.572 380 A N 0.228 122.464 122.820 -0.973 0.000 2.019 380 A HA 0.176 4.496 4.320 -0.001 0.000 0.219 380 A C 1.916 179.211 177.584 -0.482 0.000 1.164 380 A CA 1.387 52.721 52.037 -1.173 0.000 0.644 380 A CB -1.504 16.763 19.000 -1.221 0.000 0.805 380 A HN 1.182 nan 8.150 nan 0.000 0.449 381 G N -0.499 108.119 108.800 -0.303 0.000 3.284 381 G HA2 0.404 4.364 3.960 -0.001 0.000 0.236 381 G HA3 0.404 4.364 3.960 -0.001 0.000 0.236 381 G C 0.700 175.530 174.900 -0.117 0.000 1.158 381 G CA 0.382 45.381 45.100 -0.169 0.000 0.774 381 G HN 0.698 nan 8.290 nan 0.000 0.545 382 G N 0.136 108.871 108.800 -0.107 0.000 2.432 382 G HA2 0.292 4.252 3.960 -0.001 0.000 0.239 382 G HA3 0.292 4.252 3.960 -0.001 0.000 0.239 382 G C 1.301 176.194 174.900 -0.012 0.000 1.291 382 G CA 0.278 45.346 45.100 -0.054 0.000 0.863 382 G HN 0.601 nan 8.290 nan 0.000 0.560 383 V N 0.229 120.134 119.914 -0.015 0.000 2.913 383 V HA -0.001 4.119 4.120 -0.001 0.000 0.260 383 V C 1.805 177.873 176.094 -0.044 0.000 1.098 383 V CA 1.293 63.571 62.300 -0.036 0.000 1.121 383 V CB -0.891 30.892 31.823 -0.066 0.000 0.714 383 V HN 0.521 nan 8.190 nan 0.000 0.487 384 F N 0.858 120.765 119.950 -0.073 0.000 2.315 384 F HA 0.254 4.780 4.527 -0.001 0.000 0.284 384 F C 2.419 178.377 175.800 0.263 0.000 1.049 384 F CA 1.240 59.281 58.000 0.069 0.000 1.323 384 F CB -0.577 38.336 39.000 -0.145 0.000 1.113 384 F HN 0.173 nan 8.300 nan 0.000 0.544 385 E N 0.749 121.196 120.200 0.411 0.000 2.118 385 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 385 E C 1.977 178.673 176.600 0.161 0.000 0.992 385 E CA 1.679 58.288 56.400 0.349 0.000 0.804 385 E CB -0.330 29.570 29.700 0.332 0.000 0.741 385 E HN 0.422 nan 8.360 nan 0.000 0.458 386 Q N -0.217 119.626 119.800 0.072 0.000 2.096 386 Q HA -0.213 4.126 4.340 -0.001 0.000 0.208 386 Q C 1.581 177.559 176.000 -0.036 0.000 0.993 386 Q CA 1.813 57.613 55.803 -0.004 0.000 0.862 386 Q CB -0.147 28.571 28.738 -0.033 0.000 0.915 386 Q HN 0.405 nan 8.270 nan 0.000 0.416 387 D N -0.073 120.307 120.400 -0.032 0.000 2.234 387 D HA -0.083 4.556 4.640 -0.001 0.000 0.205 387 D C 1.264 177.419 176.300 -0.242 0.000 0.962 387 D CA 0.606 54.524 54.000 -0.138 0.000 0.855 387 D CB -0.149 40.535 40.800 -0.192 0.000 0.951 387 D HN 0.200 nan 8.370 nan 0.000 0.500 388 D N 0.702 120.982 120.400 -0.201 0.000 2.078 388 D HA -0.109 4.530 4.640 -0.001 0.000 0.193 388 D C 2.184 177.895 176.300 -0.982 0.000 0.990 388 D CA 1.414 55.068 54.000 -0.577 0.000 0.827 388 D CB -0.427 40.143 40.800 -0.384 0.000 0.975 388 D HN 0.249 nan 8.370 nan 0.000 0.451 389 G N 0.832 109.323 108.800 -0.515 0.000 2.418 389 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.217 389 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.217 389 G C 1.566 176.372 174.900 -0.156 0.000 1.158 389 G CA 1.100 46.063 45.100 -0.229 0.000 0.771 389 G HN 0.247 nan 8.290 nan 0.000 0.545 390 E N 1.252 121.355 120.200 -0.162 0.000 2.097 390 E HA -0.163 4.187 4.350 -0.001 0.000 0.196 390 E C 2.170 178.682 176.600 -0.147 0.000 1.000 390 E CA 1.924 58.252 56.400 -0.121 0.000 0.804 390 E CB -0.542 29.087 29.700 -0.119 0.000 0.740 390 E HN 0.627 nan 8.360 nan 0.000 0.454 391 N N -0.981 117.571 118.700 -0.246 0.000 2.106 391 N HA -0.121 4.619 4.740 -0.001 0.000 0.188 391 N C 1.372 176.804 175.510 -0.130 0.000 1.029 391 N CA 1.298 54.217 53.050 -0.218 0.000 0.848 391 N CB -0.268 38.053 38.487 -0.277 0.000 1.007 391 N HN 0.258 nan 8.380 nan 0.000 0.423 392 W N 1.014 122.186 121.300 -0.214 0.000 2.363 392 W HA 0.010 4.670 4.660 -0.001 0.000 0.296 392 W C 2.021 178.386 176.519 -0.258 0.000 1.212 392 W CA 0.136 57.284 57.345 -0.329 0.000 1.260 392 W CB -1.269 28.060 29.460 -0.217 0.000 1.131 392 W HN -0.083 nan 8.180 nan 0.000 0.530 393 V N 0.906 120.865 119.914 0.075 0.000 2.287 393 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 393 V C 2.390 178.471 176.094 -0.023 0.000 1.053 393 V CA 2.121 64.443 62.300 0.037 0.000 1.027 393 V CB -0.621 31.226 31.823 0.040 0.000 0.646 393 V HN 0.015 nan 8.190 nan 0.000 0.447 394 E N -0.409 119.758 120.200 -0.055 0.000 2.208 394 E HA -0.070 4.279 4.350 -0.001 0.000 0.193 394 E C 2.081 178.618 176.600 -0.105 0.000 0.988 394 E CA 0.937 57.295 56.400 -0.069 0.000 0.828 394 E CB -0.180 29.476 29.700 -0.073 0.000 0.763 394 E HN 0.602 nan 8.360 nan 0.000 0.478 395 I N 0.630 121.090 120.570 -0.182 0.000 2.202 395 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 395 I C 2.572 178.565 176.117 -0.207 0.000 1.091 395 I CA 0.972 62.100 61.300 -0.286 0.000 1.368 395 I CB -0.132 37.491 38.000 -0.629 0.000 1.058 395 I HN 0.041 nan 8.210 nan 0.000 0.410 396 Q N 1.325 121.023 119.800 -0.169 0.000 2.119 396 Q HA -0.238 4.102 4.340 -0.001 0.000 0.201 396 Q C 2.022 178.024 176.000 0.004 0.000 0.972 396 Q CA 1.685 57.475 55.803 -0.021 0.000 0.847 396 Q CB -0.119 28.635 28.738 0.027 0.000 0.903 396 Q HN 0.168 nan 8.270 nan 0.000 0.433 397 K N -0.748 119.644 120.400 -0.013 0.000 2.097 397 K HA -0.041 4.279 4.320 -0.001 0.000 0.206 397 K C 1.815 178.415 176.600 0.000 0.000 1.049 397 K CA 1.722 58.009 56.287 0.000 0.000 0.933 397 K CB -0.919 31.578 32.500 -0.006 0.000 0.717 397 K HN 0.288 nan 8.250 nan 0.000 0.442 398 G N 0.332 109.121 108.800 -0.018 0.000 2.422 398 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.218 398 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.218 398 G C 1.265 176.170 174.900 0.009 0.000 1.140 398 G CA 0.679 45.772 45.100 -0.012 0.000 0.775 398 G HN 0.311 nan 8.290 nan 0.000 0.545 399 L N -0.156 121.080 121.223 0.022 0.000 2.622 399 L HA 0.153 4.492 4.340 -0.001 0.000 0.233 399 L C 2.778 179.686 176.870 0.063 0.000 1.156 399 L CA -0.020 54.852 54.840 0.054 0.000 0.866 399 L CB -0.100 42.018 42.059 0.098 0.000 0.980 399 L HN 0.141 nan 8.230 nan 0.000 0.448 400 R N 0.206 120.737 120.500 0.052 0.000 2.148 400 R HA 0.005 4.345 4.340 -0.001 0.000 0.223 400 R C 1.216 177.559 176.300 0.071 0.000 1.088 400 R CA 0.551 56.686 56.100 0.059 0.000 0.985 400 R CB -0.127 30.200 30.300 0.046 0.000 0.880 400 R HN 0.346 nan 8.270 nan 0.000 0.451 401 G N -0.940 107.898 108.800 0.063 0.000 2.527 401 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.248 401 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.248 401 G C 0.009 174.976 174.900 0.111 0.000 1.231 401 G CA -0.418 44.731 45.100 0.083 0.000 0.838 401 G HN 0.218 nan 8.290 nan 0.000 0.570 402 Y N 1.173 121.488 120.300 0.024 0.000 2.153 402 Y HA -0.037 4.512 4.550 -0.001 0.000 0.289 402 Y C 2.476 178.391 175.900 0.025 0.000 1.127 402 Y CA 1.838 59.953 58.100 0.027 0.000 1.131 402 Y CB 0.157 38.630 38.460 0.021 0.000 0.995 402 Y HN 0.363 nan 8.280 nan 0.000 0.505 403 K N 0.582 120.877 120.400 -0.175 0.000 2.211 403 K HA 0.001 4.320 4.320 -0.001 0.000 0.203 403 K C 2.105 178.604 176.600 -0.170 0.000 1.050 403 K CA 0.929 57.060 56.287 -0.260 0.000 0.945 403 K CB -0.614 31.852 32.500 -0.056 0.000 0.732 403 K HN 0.453 nan 8.250 nan 0.000 0.451 404 A N 1.165 123.933 122.820 -0.087 0.000 2.216 404 A HA -0.089 4.230 4.320 -0.001 0.000 0.214 404 A C 1.620 179.174 177.584 -0.052 0.000 1.160 404 A CA 1.129 53.137 52.037 -0.049 0.000 0.725 404 A CB -0.058 18.935 19.000 -0.012 0.000 0.784 404 A HN 0.194 nan 8.150 nan 0.000 0.472 405 K N -0.600 119.738 120.400 -0.103 0.000 2.402 405 K HA 0.046 4.366 4.320 -0.001 0.000 0.204 405 K C 1.597 178.117 176.600 -0.134 0.000 1.056 405 K CA 0.687 56.928 56.287 -0.078 0.000 1.069 405 K CB 0.488 32.971 32.500 -0.028 0.000 0.888 405 K HN 0.531 nan 8.250 nan 0.000 0.546 406 S N 0.248 115.809 115.700 -0.230 0.000 2.489 406 S HA -0.000 4.469 4.470 -0.001 0.000 0.228 406 S C 0.704 175.235 174.600 -0.115 0.000 0.995 406 S CA 0.246 58.304 58.200 -0.235 0.000 0.934 406 S CB 0.062 63.052 63.200 -0.349 0.000 0.771 406 S HN 0.157 nan 8.310 nan 0.000 0.522 407 Q N 1.510 121.258 119.800 -0.086 0.000 2.372 407 Q HA 0.506 4.845 4.340 -0.001 0.000 0.273 407 Q C -2.913 173.062 176.000 -0.041 0.000 1.078 407 Q CA -2.652 53.119 55.803 -0.054 0.000 0.806 407 Q CB 2.246 30.955 28.738 -0.048 0.000 1.332 407 Q HN 0.196 nan 8.270 nan 0.000 0.435 408 P HA 0.065 nan 4.420 nan 0.000 0.271 408 P C -0.738 176.541 177.300 -0.036 0.000 1.218 408 P CA 0.032 63.108 63.100 -0.041 0.000 0.780 408 P CB 0.802 32.478 31.700 -0.041 0.000 0.901 409 L N 1.858 123.057 121.223 -0.040 0.000 2.439 409 L HA 0.269 4.609 4.340 -0.001 0.000 0.261 409 L C 1.121 177.968 176.870 -0.039 0.000 1.153 409 L CA -0.585 54.239 54.840 -0.028 0.000 0.808 409 L CB 0.128 42.182 42.059 -0.008 0.000 1.126 409 L HN 0.401 nan 8.230 nan 0.000 0.460 410 N N 0.698 119.386 118.700 -0.020 0.000 2.408 410 N HA 0.387 5.127 4.740 -0.001 0.000 0.257 410 N C -0.277 175.223 175.510 -0.017 0.000 1.064 410 N CA -0.017 53.023 53.050 -0.017 0.000 0.952 410 N CB 1.027 39.513 38.487 -0.001 0.000 1.093 410 N HN 0.675 nan 8.380 nan 0.000 0.490 411 A N 3.378 126.180 122.820 -0.031 0.000 2.705 411 A HA 0.169 4.488 4.320 -0.001 0.000 0.294 411 A C 0.500 178.072 177.584 -0.020 0.000 1.039 411 A CA -0.354 51.668 52.037 -0.024 0.000 1.005 411 A CB 0.115 19.084 19.000 -0.052 0.000 1.192 411 A HN 0.798 nan 8.150 nan 0.000 0.513 412 Q N -0.406 119.381 119.800 -0.021 0.000 2.320 412 Q HA 0.250 4.590 4.340 -0.001 0.000 0.201 412 Q C 0.489 176.473 176.000 -0.026 0.000 0.910 412 Q CA -0.000 55.789 55.803 -0.022 0.000 0.946 412 Q CB 0.155 28.882 28.738 -0.019 0.000 1.062 412 Q HN 0.750 nan 8.270 nan 0.000 0.503 413 M N 0.167 119.745 119.600 -0.036 0.000 2.227 413 M HA 0.139 4.618 4.480 -0.001 0.000 0.349 413 M C 0.561 176.841 176.300 -0.033 0.000 1.443 413 M CA 0.885 56.151 55.300 -0.057 0.000 1.110 413 M CB 0.347 32.877 32.600 -0.117 0.000 1.773 413 M HN 0.437 nan 8.290 nan 0.000 0.463 414 G N 4.077 112.868 108.800 -0.015 0.000 2.153 414 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.252 414 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.252 414 G C -0.262 174.637 174.900 -0.003 0.000 0.994 414 G CA -0.027 45.077 45.100 0.007 0.000 0.698 414 G HN 0.660 nan 8.290 nan 0.000 0.521 415 L N 0.854 122.071 121.223 -0.011 0.000 2.615 415 L HA 0.462 4.801 4.340 -0.001 0.000 0.271 415 L C 1.643 178.507 176.870 -0.010 0.000 1.183 415 L CA 1.885 56.716 54.840 -0.015 0.000 0.933 415 L CB 0.039 42.088 42.059 -0.017 0.000 1.199 415 L HN 1.553 nan 8.230 nan 0.000 0.487 416 G N 4.088 112.881 108.800 -0.012 0.000 2.153 416 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.252 416 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.252 416 G C 1.090 175.993 174.900 0.005 0.000 0.994 416 G CA 0.667 45.764 45.100 -0.006 0.000 0.698 416 G HN 0.677 nan 8.290 nan 0.000 0.521 417 R N -0.331 120.175 120.500 0.010 0.000 2.397 417 R HA 0.243 4.582 4.340 -0.001 0.000 0.241 417 R C 0.363 176.687 176.300 0.040 0.000 0.914 417 R CA 0.281 56.395 56.100 0.023 0.000 1.071 417 R CB 0.547 30.861 30.300 0.023 0.000 1.116 417 R HN 0.290 nan 8.270 nan 0.000 0.524 418 S N 1.340 117.061 115.700 0.034 0.000 2.457 418 S HA 0.418 4.887 4.470 -0.001 0.000 0.289 418 S C 0.097 174.736 174.600 0.064 0.000 1.163 418 S CA -0.408 57.823 58.200 0.051 0.000 1.078 418 S CB 1.558 64.773 63.200 0.024 0.000 0.987 418 S HN 0.326 nan 8.310 nan 0.000 0.482 419 Q N 0.421 120.281 119.800 0.100 0.000 2.359 419 Q HA 0.657 4.997 4.340 -0.001 0.000 0.275 419 Q C 0.502 176.589 176.000 0.145 0.000 1.082 419 Q CA -0.673 55.193 55.803 0.105 0.000 0.849 419 Q CB 0.649 29.446 28.738 0.098 0.000 1.377 419 Q HN 0.777 nan 8.270 nan 0.000 0.452 420 T N -3.148 111.485 114.554 0.132 0.000 3.251 420 T HA 0.447 4.797 4.350 -0.001 0.000 0.259 420 T C 0.829 175.623 174.700 0.157 0.000 0.998 420 T CA 0.569 62.764 62.100 0.158 0.000 0.905 420 T CB -0.182 68.765 68.868 0.132 0.000 1.067 420 T HN 1.066 nan 8.240 nan 0.000 0.569 421 G N 0.137 109.030 108.800 0.156 0.000 3.993 421 G HA2 0.209 4.168 3.960 -0.001 0.000 0.294 421 G HA3 0.209 4.168 3.960 -0.001 0.000 0.294 421 G C -0.236 174.747 174.900 0.139 0.000 1.043 421 G CA -0.612 44.563 45.100 0.124 0.000 0.839 421 G HN 0.655 nan 8.290 nan 0.000 0.516 422 H N 2.024 121.175 119.070 0.134 0.000 2.929 422 H HA 0.198 4.754 4.556 -0.001 0.000 0.317 422 H C -0.616 174.762 175.328 0.083 0.000 1.031 422 H CA -0.855 55.283 56.048 0.151 0.000 1.466 422 H CB 1.848 31.777 29.762 0.277 0.000 1.482 422 H HN 0.026 nan 8.280 nan 0.000 0.561 423 P HA -0.134 nan 4.420 nan 0.000 0.220 423 P C 0.266 177.563 177.300 -0.005 0.000 1.148 423 P CA 1.157 64.249 63.100 -0.014 0.000 0.803 423 P CB 0.610 32.257 31.700 -0.088 0.000 0.782 424 D N -1.279 119.171 120.400 0.083 0.000 2.324 424 D HA 0.092 4.731 4.640 -0.001 0.000 0.212 424 D C 0.251 176.165 176.300 -0.643 0.000 0.984 424 D CA 0.674 54.426 54.000 -0.414 0.000 0.885 424 D CB 0.165 40.483 40.800 -0.803 0.000 0.996 424 D HN 0.236 nan 8.370 nan 0.000 0.505 425 F N 1.743 121.830 119.950 0.227 0.000 2.518 425 F HA 0.349 4.875 4.527 -0.001 0.000 0.323 425 F C -2.206 173.692 175.800 0.163 0.000 1.129 425 F CA -2.397 55.672 58.000 0.114 0.000 0.920 425 F CB 2.122 41.242 39.000 0.201 0.000 1.160 425 F HN -0.296 nan 8.300 nan 0.000 0.440 426 P HA 0.463 nan 4.420 nan 0.000 0.279 426 P C 0.237 177.724 177.300 0.312 0.000 1.239 426 P CA 0.208 63.415 63.100 0.179 0.000 0.789 426 P CB 1.555 33.261 31.700 0.011 0.000 0.933 427 G N 2.184 111.172 108.800 0.313 0.000 2.526 427 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.250 427 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.250 427 G C -0.690 174.435 174.900 0.376 0.000 1.289 427 G CA -0.744 44.605 45.100 0.414 0.000 0.947 427 G HN 0.714 nan 8.290 nan 0.000 0.517 428 N N 0.020 118.921 118.700 0.335 0.000 2.402 428 N HA 0.442 5.181 4.740 -0.001 0.000 0.259 428 N C -0.215 175.414 175.510 0.198 0.000 1.167 428 N CA 0.205 53.369 53.050 0.189 0.000 0.949 428 N CB 0.607 39.130 38.487 0.060 0.000 1.212 428 N HN 0.742 nan 8.380 nan 0.000 0.493 429 V N 2.004 122.044 119.914 0.209 0.000 2.604 429 V HA 0.830 4.950 4.120 -0.001 0.000 0.305 429 V C 0.868 177.028 176.094 0.110 0.000 1.043 429 V CA -0.563 61.842 62.300 0.175 0.000 0.888 429 V CB 1.474 33.449 31.823 0.253 0.000 0.995 429 V HN 0.706 nan 8.190 nan 0.000 0.429 430 G N 1.854 110.663 108.800 0.014 0.000 3.247 430 G HA2 0.472 4.431 3.960 -0.001 0.000 0.226 430 G HA3 0.472 4.431 3.960 -0.001 0.000 0.226 430 G C -1.649 173.254 174.900 0.005 0.000 1.220 430 G CA -0.534 44.589 45.100 0.039 0.000 0.875 430 G HN 0.431 nan 8.290 nan 0.000 0.606 431 Y N -0.122 120.110 120.300 -0.113 0.000 2.301 431 Y HA 0.387 4.936 4.550 -0.001 0.000 0.328 431 Y C 1.537 177.274 175.900 -0.271 0.000 1.242 431 Y CA -0.202 57.804 58.100 -0.156 0.000 1.323 431 Y CB 1.791 40.213 38.460 -0.064 0.000 1.266 431 Y HN 0.257 nan 8.280 nan 0.000 0.527 432 V N 5.734 125.049 119.914 -0.999 0.000 2.469 432 V HA -0.241 3.879 4.120 -0.001 0.000 0.251 432 V C -0.209 175.373 176.094 -0.852 0.000 1.064 432 V CA 1.632 63.308 62.300 -1.040 0.000 1.066 432 V CB -0.716 30.396 31.823 -1.186 0.000 0.667 432 V HN 0.649 nan 8.190 nan 0.000 0.461 433 Y N 0.999 120.857 120.300 -0.736 0.000 2.676 433 Y HA 0.726 5.276 4.550 -0.001 0.000 0.338 433 Y C 0.287 176.078 175.900 -0.183 0.000 1.057 433 Y CA -0.333 57.576 58.100 -0.317 0.000 1.314 433 Y CB 0.084 38.448 38.460 -0.160 0.000 1.164 433 Y HN 0.286 nan 8.280 nan 0.000 0.509 434 A N 1.614 124.409 122.820 -0.043 0.000 2.586 434 A HA 0.734 5.054 4.320 -0.001 0.000 0.290 434 A C -0.354 177.208 177.584 -0.036 0.000 1.086 434 A CA -0.920 51.093 52.037 -0.041 0.000 0.665 434 A CB 1.215 20.200 19.000 -0.025 0.000 1.279 434 A HN 0.542 nan 8.150 nan 0.000 0.423 435 E N -0.396 119.787 120.200 -0.028 0.000 2.887 435 E HA 0.102 4.452 4.350 -0.001 0.000 0.206 435 E C 0.319 176.912 176.600 -0.011 0.000 0.983 435 E CA -0.157 56.243 56.400 -0.001 0.000 1.141 435 E CB 0.949 30.658 29.700 0.015 0.000 1.061 435 E HN 0.625 nan 8.360 nan 0.000 0.468 436 E N 1.488 121.665 120.200 -0.038 0.000 2.051 436 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 436 E C 1.886 178.434 176.600 -0.087 0.000 0.991 436 E CA 1.697 58.062 56.400 -0.060 0.000 0.799 436 E CB -0.043 29.616 29.700 -0.068 0.000 0.748 436 E HN 0.303 nan 8.360 nan 0.000 0.449 437 A N 0.883 123.641 122.820 -0.103 0.000 1.877 437 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 437 A C 2.464 179.996 177.584 -0.086 0.000 1.186 437 A CA 2.323 54.280 52.037 -0.134 0.000 0.620 437 A CB -1.161 17.770 19.000 -0.115 0.000 0.822 437 A HN 0.374 nan 8.150 nan 0.000 0.443 438 A N -0.138 122.670 122.820 -0.019 0.000 1.873 438 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 438 A C 2.251 179.899 177.584 0.108 0.000 1.193 438 A CA 1.810 53.871 52.037 0.041 0.000 0.629 438 A CB -0.578 18.507 19.000 0.142 0.000 0.826 438 A HN 0.555 nan 8.150 nan 0.000 0.447 439 R N -1.104 119.448 120.500 0.086 0.000 2.105 439 R HA -0.133 4.206 4.340 -0.001 0.000 0.239 439 R C 2.380 178.708 176.300 0.046 0.000 1.135 439 R CA 1.182 57.334 56.100 0.087 0.000 0.967 439 R CB -0.666 29.640 30.300 0.010 0.000 0.861 439 R HN 0.569 nan 8.270 nan 0.000 0.442 440 G N 0.695 109.466 108.800 -0.049 0.000 2.418 440 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 440 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 440 G C 1.391 176.198 174.900 -0.155 0.000 1.158 440 G CA 0.491 45.525 45.100 -0.109 0.000 0.771 440 G HN 0.188 nan 8.290 nan 0.000 0.545 441 M N -0.778 118.704 119.600 -0.196 0.000 2.086 441 M HA -0.025 4.454 4.480 -0.001 0.000 0.261 441 M C 2.388 178.521 176.300 -0.278 0.000 1.067 441 M CA 1.396 56.518 55.300 -0.298 0.000 1.116 441 M CB -0.107 32.320 32.600 -0.289 0.000 1.348 441 M HN 0.386 nan 8.290 nan 0.000 0.407 442 Y N -1.677 118.588 120.300 -0.059 0.000 2.314 442 Y HA -0.244 4.306 4.550 -0.001 0.000 0.293 442 Y C 2.418 178.347 175.900 0.048 0.000 1.129 442 Y CA 1.652 59.728 58.100 -0.041 0.000 1.201 442 Y CB -0.558 37.822 38.460 -0.132 0.000 0.999 442 Y HN 0.447 nan 8.280 nan 0.000 0.541 443 H N -1.227 117.872 119.070 0.050 0.000 2.357 443 H HA -0.169 4.386 4.556 -0.001 0.000 0.301 443 H C 2.163 177.421 175.328 -0.118 0.000 1.082 443 H CA 2.137 58.173 56.048 -0.020 0.000 1.342 443 H CB -0.165 29.565 29.762 -0.052 0.000 1.389 443 H HN 0.356 nan 8.280 nan 0.000 0.511 444 H N -1.238 117.606 119.070 -0.376 0.000 2.357 444 H HA -0.114 4.441 4.556 -0.001 0.000 0.301 444 H C 2.051 177.032 175.328 -0.578 0.000 1.082 444 H CA 1.763 57.425 56.048 -0.642 0.000 1.342 444 H CB -0.599 28.592 29.762 -0.952 0.000 1.389 444 H HN 0.546 nan 8.280 nan 0.000 0.511 445 W N 0.739 121.664 121.300 -0.625 0.000 2.317 445 W HA -0.322 4.338 4.660 -0.001 0.000 0.318 445 W C 2.407 178.750 176.519 -0.294 0.000 1.227 445 W CA 2.354 59.531 57.345 -0.280 0.000 1.269 445 W CB -0.405 29.049 29.460 -0.011 0.000 1.155 445 W HN 0.260 nan 8.180 nan 0.000 0.484 446 M N 1.079 120.602 119.600 -0.128 0.000 2.108 446 M HA -0.207 4.273 4.480 -0.001 0.000 0.261 446 M C 1.935 177.935 176.300 -0.500 0.000 1.066 446 M CA 1.977 57.080 55.300 -0.329 0.000 1.107 446 M CB -0.864 31.695 32.600 -0.068 0.000 1.356 446 M HN 0.149 nan 8.290 nan 0.000 0.406 447 R N -0.514 119.650 120.500 -0.560 0.000 2.092 447 R HA -0.079 4.261 4.340 -0.001 0.000 0.231 447 R C 2.259 178.231 176.300 -0.546 0.000 1.119 447 R CA 1.620 57.403 56.100 -0.528 0.000 0.970 447 R CB -0.276 29.699 30.300 -0.542 0.000 0.864 447 R HN 0.480 nan 8.270 nan 0.000 0.440 448 M N -0.284 118.902 119.600 -0.690 0.000 2.175 448 M HA -0.096 4.383 4.480 -0.001 0.000 0.264 448 M C 2.072 178.050 176.300 -0.536 0.000 1.063 448 M CA 1.301 56.237 55.300 -0.606 0.000 1.119 448 M CB -0.079 32.193 32.600 -0.547 0.000 1.377 448 M HN 0.115 nan 8.290 nan 0.000 0.415 449 M N -0.402 118.804 119.600 -0.656 0.000 2.349 449 M HA -0.047 4.432 4.480 -0.001 0.000 0.266 449 M C 2.164 178.217 176.300 -0.412 0.000 1.076 449 M CA 1.400 56.338 55.300 -0.605 0.000 1.126 449 M CB -0.917 31.128 32.600 -0.924 0.000 1.392 449 M HN 0.315 nan 8.290 nan 0.000 0.440 450 S N -1.209 114.265 115.700 -0.377 0.000 2.502 450 S HA 0.150 4.619 4.470 -0.001 0.000 0.215 450 S C 0.467 174.943 174.600 -0.206 0.000 1.009 450 S CA -0.350 57.700 58.200 -0.249 0.000 0.908 450 S CB 0.124 63.194 63.200 -0.216 0.000 0.801 450 S HN 0.427 nan 8.310 nan 0.000 0.505 451 E N 2.392 122.442 120.200 -0.250 0.000 2.102 451 E HA 0.302 4.652 4.350 -0.001 0.000 0.263 451 E C -2.247 174.209 176.600 -0.240 0.000 0.894 451 E CA -2.283 53.992 56.400 -0.209 0.000 0.746 451 E CB 1.627 31.208 29.700 -0.197 0.000 1.129 451 E HN 0.190 nan 8.360 nan 0.000 0.416 452 P HA -0.073 nan 4.420 nan 0.000 0.225 452 P C 0.257 177.447 177.300 -0.183 0.000 1.156 452 P CA 0.577 63.574 63.100 -0.171 0.000 0.787 452 P CB 0.472 32.109 31.700 -0.105 0.000 0.802 453 S N -1.664 113.946 115.700 -0.150 0.000 2.501 453 S HA 0.265 4.734 4.470 -0.001 0.000 0.301 453 S C 0.111 174.665 174.600 -0.076 0.000 1.096 453 S CA -0.749 57.402 58.200 -0.082 0.000 1.063 453 S CB 0.290 63.488 63.200 -0.003 0.000 1.042 453 S HN 0.009 nan 8.310 nan 0.000 0.494 454 W N 3.137 124.459 121.300 0.036 0.000 2.611 454 W HA 0.020 4.680 4.660 -0.001 0.000 0.251 454 W C 2.305 178.848 176.519 0.040 0.000 1.265 454 W CA 0.508 57.888 57.345 0.058 0.000 1.295 454 W CB -0.088 29.409 29.460 0.061 0.000 1.129 454 W HN 0.908 nan 8.180 nan 0.000 0.630 455 A N -0.012 122.938 122.820 0.217 0.000 1.972 455 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 455 A C 1.998 179.646 177.584 0.107 0.000 1.169 455 A CA 2.392 54.509 52.037 0.134 0.000 0.635 455 A CB -1.113 17.938 19.000 0.085 0.000 0.810 455 A HN 0.319 nan 8.150 nan 0.000 0.446 456 T N -3.333 111.275 114.554 0.090 0.000 3.039 456 T HA 0.219 4.569 4.350 -0.001 0.000 0.250 456 T C 1.799 176.574 174.700 0.125 0.000 1.052 456 T CA 0.714 62.859 62.100 0.074 0.000 1.125 456 T CB -0.277 68.605 68.868 0.024 0.000 0.908 456 T HN 0.212 nan 8.240 nan 0.000 0.473 457 L N 1.107 122.426 121.223 0.159 0.000 2.131 457 L HA 0.175 4.515 4.340 -0.001 0.000 0.206 457 L C 1.360 178.558 176.870 0.546 0.000 1.087 457 L CA 0.484 55.496 54.840 0.286 0.000 0.767 457 L CB -0.270 41.793 42.059 0.007 0.000 0.917 457 L HN 0.407 nan 8.230 nan 0.000 0.441 458 K N 0.925 121.575 120.400 0.416 0.000 2.382 458 K HA 0.199 4.518 4.320 -0.001 0.000 0.275 458 K C -2.206 174.223 176.600 -0.285 0.000 1.009 458 K CA -1.419 54.908 56.287 0.066 0.000 0.970 458 K CB -0.305 32.227 32.500 0.054 0.000 0.934 458 K HN -0.187 nan 8.250 nan 0.000 0.479 459 P HA 0.000 nan 4.420 nan 0.000 0.216 459 P CA 0.000 62.686 63.100 -0.691 0.000 0.800 459 P CB 0.000 31.305 31.700 -0.659 0.000 0.726