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 3oe9_1_A DATA FIRST_RESID 28 DATA SEQUENCE cFRXXXXNFN KIFLPTIYSI IFLTGIVGNG LVILVMGYQK KLRSMTDKYR DATA SEQUENCE LHLSVADLLF VITLPFWAVD AVANWYFGNF LcKAVHVIYT VNLYSSVWIL DATA SEQUENCE AFISLDRYLA IVHATNSQRP RKLLAEKVVY VGVWIPALLL TIPDFIFANV DATA SEQUENCE SEADDRYIcD RFYPNDLWVV VFQFQHIMVG LILPGIVILS CYCIIISKLS DATA SEQUENCE HXXXXXXXKA LKPTVILILA FFACWLPYYI GISIDSFILL EIIKXXcEFE DATA SEQUENCE NTVHKWISIT EALAFFHCCL NPILYAXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXNIFEML RIDEGLRLKI YKXXXGYYTI DATA SEQUENCE GIGHLLTKSP SLNAAKSELD KAIGRNTNGV ITKDEAEKLF NQDVDAAVRG DATA SEQUENCE ILRNAKLKPV YDSLDAVRRA ALINMVFQMG ETGVAGFTNS LRMLQQKRWD DATA SEQUENCE EAAVNLAKSR WYNQTPNRAK RVITTFRTGT WDAY 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 28 c HA 0.000 nan 4.570 nan 0.000 0.325 28 c C 0.000 174.148 174.090 0.096 0.000 1.270 28 c CA 0.000 56.406 56.329 0.128 0.000 1.963 28 c CB 0.000 42.563 42.510 0.089 0.000 2.134 29 F N 0.577 120.536 119.950 0.014 0.000 2.599 29 F HA 0.705 5.176 4.527 -0.094 0.000 0.311 29 F C 0.478 176.257 175.800 -0.036 0.000 1.076 29 F CA -0.592 57.408 58.000 0.000 0.000 0.937 29 F CB 1.477 40.480 39.000 0.006 0.000 1.282 29 F HN 0.431 nan 8.300 nan 0.000 0.460 36 F N 1.064 121.010 119.950 -0.007 0.000 2.374 36 F HA 0.306 4.776 4.527 -0.095 0.000 0.291 36 F C 0.832 176.618 175.800 -0.024 0.000 1.084 36 F CA 1.031 59.012 58.000 -0.031 0.000 1.413 36 F CB 0.362 39.319 39.000 -0.071 0.000 1.099 36 F HN 0.000 nan 8.300 nan 0.000 0.534 37 N N 0.150 118.812 118.700 -0.064 0.000 2.276 37 N HA 0.026 4.709 4.740 -0.095 0.000 0.212 37 N C 0.947 176.492 175.510 0.058 0.000 1.127 37 N CA -0.039 52.974 53.050 -0.061 0.000 0.834 37 N CB 0.112 38.612 38.487 0.021 0.000 1.014 37 N HN -0.002 nan 8.380 nan 0.000 0.491 38 K N 0.091 120.512 120.400 0.035 0.000 2.459 38 K HA 0.174 4.437 4.320 -0.095 0.000 0.193 38 K C 0.456 177.084 176.600 0.046 0.000 1.030 38 K CA 0.563 56.887 56.287 0.061 0.000 1.026 38 K CB 0.429 32.977 32.500 0.080 0.000 0.809 38 K HN 0.311 nan 8.250 nan 0.000 0.504 39 I N -1.348 119.233 120.570 0.019 0.000 4.227 39 I HA 0.023 4.136 4.170 -0.095 0.000 0.334 39 I C 1.368 177.494 176.117 0.016 0.000 1.341 39 I CA -0.005 61.304 61.300 0.014 0.000 1.123 39 I CB 0.214 38.217 38.000 0.005 0.000 1.097 39 I HN -0.065 nan 8.210 nan 0.000 0.399 40 F N 0.415 120.270 119.950 -0.157 0.000 2.500 40 F HA 0.184 4.654 4.527 -0.095 0.000 0.285 40 F C 1.839 177.528 175.800 -0.185 0.000 1.088 40 F CA 0.495 58.388 58.000 -0.178 0.000 1.432 40 F CB 0.127 38.978 39.000 -0.248 0.000 1.131 40 F HN -0.047 nan 8.300 nan 0.000 0.582 41 L N 2.677 123.674 121.223 -0.376 0.000 2.046 41 L HA 0.008 4.291 4.340 -0.095 0.000 0.208 41 L C -0.773 175.706 176.870 -0.652 0.000 1.077 41 L CA 1.922 56.435 54.840 -0.545 0.000 0.747 41 L CB -1.672 40.253 42.059 -0.224 0.000 0.896 41 L HN 0.037 nan 8.230 nan 0.000 0.432 42 P HA -0.154 nan 4.420 nan 0.000 0.222 42 P C 1.548 178.758 177.300 -0.150 0.000 1.147 42 P CA 1.832 64.881 63.100 -0.086 0.000 0.790 42 P CB -0.416 31.335 31.700 0.087 0.000 0.780 43 T N -1.978 112.425 114.554 -0.251 0.000 2.821 43 T HA -0.081 4.212 4.350 -0.095 0.000 0.267 43 T C 1.985 176.535 174.700 -0.250 0.000 1.046 43 T CA 0.733 62.710 62.100 -0.206 0.000 1.139 43 T CB -1.088 67.667 68.868 -0.190 0.000 0.871 43 T HN -0.013 nan 8.240 nan 0.000 0.454 44 I N -0.087 120.220 120.570 -0.438 0.000 2.226 44 I HA -0.110 4.003 4.170 -0.095 0.000 0.245 44 I C 2.288 178.265 176.117 -0.233 0.000 1.100 44 I CA 1.441 62.511 61.300 -0.384 0.000 1.374 44 I CB -0.405 37.285 38.000 -0.516 0.000 1.057 44 I HN 0.229 nan 8.210 nan 0.000 0.413 45 Y N 0.554 120.790 120.300 -0.107 0.000 2.224 45 Y HA -0.177 4.316 4.550 -0.095 0.000 0.289 45 Y C 2.881 178.726 175.900 -0.091 0.000 1.146 45 Y CA 0.976 59.013 58.100 -0.105 0.000 1.182 45 Y CB -1.221 37.187 38.460 -0.087 0.000 0.983 45 Y HN 0.074 nan 8.280 nan 0.000 0.524 46 S N 0.155 115.898 115.700 0.073 0.000 2.368 46 S HA -0.132 4.281 4.470 -0.095 0.000 0.224 46 S C 2.083 176.716 174.600 0.056 0.000 1.029 46 S CA 1.325 59.576 58.200 0.084 0.000 0.988 46 S CB -0.563 62.661 63.200 0.039 0.000 0.838 46 S HN 0.363 nan 8.310 nan 0.000 0.462 47 I N 1.380 121.931 120.570 -0.033 0.000 2.179 47 I HA -0.193 3.921 4.170 -0.095 0.000 0.242 47 I C 1.976 177.997 176.117 -0.161 0.000 1.088 47 I CA 1.307 62.561 61.300 -0.077 0.000 1.357 47 I CB -0.405 37.558 38.000 -0.061 0.000 1.051 47 I HN 0.225 nan 8.210 nan 0.000 0.409 48 I N -0.180 120.274 120.570 -0.193 0.000 2.394 48 I HA -0.291 3.822 4.170 -0.095 0.000 0.251 48 I C 2.408 178.408 176.117 -0.195 0.000 1.136 48 I CA 1.398 62.523 61.300 -0.292 0.000 1.425 48 I CB -0.369 37.475 38.000 -0.260 0.000 1.079 48 I HN 0.185 nan 8.210 nan 0.000 0.425 49 F N 1.149 120.960 119.950 -0.231 0.000 2.084 49 F HA -0.207 4.263 4.527 -0.095 0.000 0.296 49 F C 2.182 177.879 175.800 -0.172 0.000 1.111 49 F CA 1.492 59.362 58.000 -0.217 0.000 1.224 49 F CB -0.122 38.766 39.000 -0.187 0.000 0.991 49 F HN -0.137 nan 8.300 nan 0.000 0.471 50 L N 0.518 121.553 121.223 -0.313 0.000 2.046 50 L HA -0.199 4.085 4.340 -0.095 0.000 0.208 50 L C 2.457 179.143 176.870 -0.307 0.000 1.077 50 L CA 2.362 56.983 54.840 -0.366 0.000 0.747 50 L CB -0.996 40.976 42.059 -0.144 0.000 0.896 50 L HN 0.241 nan 8.230 nan 0.000 0.432 51 T N -1.692 112.712 114.554 -0.250 0.000 2.851 51 T HA -0.049 4.244 4.350 -0.095 0.000 0.262 51 T C 1.781 176.346 174.700 -0.226 0.000 1.043 51 T CA 0.996 62.964 62.100 -0.221 0.000 1.140 51 T CB -0.752 67.967 68.868 -0.247 0.000 0.872 51 T HN 0.477 nan 8.240 nan 0.000 0.446 52 G N 1.515 110.157 108.800 -0.263 0.000 2.402 52 G HA2 -0.119 3.784 3.960 -0.095 0.000 0.216 52 G HA3 -0.119 3.784 3.960 -0.095 0.000 0.216 52 G C 1.520 176.296 174.900 -0.205 0.000 1.162 52 G CA 0.160 45.130 45.100 -0.216 0.000 0.777 52 G HN 0.346 nan 8.290 nan 0.000 0.539 53 I N 0.678 121.057 120.570 -0.319 0.000 2.233 53 I HA -0.053 4.060 4.170 -0.095 0.000 0.243 53 I C 2.822 178.804 176.117 -0.224 0.000 1.093 53 I CA 0.860 61.974 61.300 -0.310 0.000 1.380 53 I CB -0.399 37.282 38.000 -0.532 0.000 1.067 53 I HN 0.063 nan 8.210 nan 0.000 0.413 54 V N 1.012 120.786 119.914 -0.232 0.000 2.358 54 V HA -0.165 3.898 4.120 -0.095 0.000 0.246 54 V C 2.589 178.617 176.094 -0.110 0.000 1.047 54 V CA 1.818 64.022 62.300 -0.159 0.000 1.035 54 V CB -1.225 30.506 31.823 -0.153 0.000 0.658 54 V HN 0.530 nan 8.190 nan 0.000 0.452 55 G N 0.217 108.955 108.800 -0.103 0.000 2.484 55 G HA2 -0.257 3.646 3.960 -0.095 0.000 0.215 55 G HA3 -0.257 3.646 3.960 -0.095 0.000 0.215 55 G C 1.393 176.270 174.900 -0.038 0.000 1.219 55 G CA 0.907 45.973 45.100 -0.056 0.000 0.791 55 G HN 0.516 nan 8.290 nan 0.000 0.550 56 N N 1.254 119.932 118.700 -0.037 0.000 2.244 56 N HA -0.091 4.592 4.740 -0.095 0.000 0.183 56 N C 2.356 177.852 175.510 -0.024 0.000 1.016 56 N CA 1.109 54.155 53.050 -0.006 0.000 0.866 56 N CB -0.366 38.127 38.487 0.011 0.000 0.980 56 N HN 0.343 nan 8.380 nan 0.000 0.430 57 G N 2.136 110.903 108.800 -0.055 0.000 2.418 57 G HA2 -0.186 3.717 3.960 -0.095 0.000 0.217 57 G HA3 -0.186 3.717 3.960 -0.095 0.000 0.217 57 G C 1.629 176.489 174.900 -0.067 0.000 1.158 57 G CA 0.807 45.869 45.100 -0.062 0.000 0.771 57 G HN 0.344 nan 8.290 nan 0.000 0.545 58 L N -0.642 120.538 121.223 -0.071 0.000 2.395 58 L HA 0.297 4.580 4.340 -0.095 0.000 0.218 58 L C 2.381 179.203 176.870 -0.082 0.000 1.130 58 L CA 0.585 55.379 54.840 -0.077 0.000 0.826 58 L CB -0.616 41.400 42.059 -0.072 0.000 0.941 58 L HN -0.019 nan 8.230 nan 0.000 0.451 59 V N 0.034 119.902 119.914 -0.076 0.000 2.323 59 V HA -0.166 3.897 4.120 -0.095 0.000 0.244 59 V C 2.495 178.567 176.094 -0.037 0.000 1.041 59 V CA 1.655 63.899 62.300 -0.094 0.000 1.025 59 V CB -0.317 31.465 31.823 -0.067 0.000 0.656 59 V HN 0.477 nan 8.190 nan 0.000 0.451 60 I N -0.221 120.343 120.570 -0.010 0.000 2.454 60 I HA -0.197 3.917 4.170 -0.095 0.000 0.254 60 I C 2.190 178.298 176.117 -0.015 0.000 1.156 60 I CA 1.655 62.961 61.300 0.010 0.000 1.433 60 I CB -0.232 37.780 38.000 0.019 0.000 1.082 60 I HN 0.293 nan 8.210 nan 0.000 0.432 61 L N -0.311 120.874 121.223 -0.063 0.000 2.027 61 L HA -0.179 4.105 4.340 -0.095 0.000 0.206 61 L C 2.393 179.217 176.870 -0.078 0.000 1.074 61 L CA 1.169 55.921 54.840 -0.147 0.000 0.745 61 L CB -0.106 41.853 42.059 -0.166 0.000 0.898 61 L HN -0.026 nan 8.230 nan 0.000 0.433 62 V N -0.602 119.315 119.914 0.004 0.000 2.239 62 V HA -0.285 3.778 4.120 -0.095 0.000 0.242 62 V C 2.395 178.577 176.094 0.146 0.000 1.038 62 V CA 1.965 64.323 62.300 0.097 0.000 1.002 62 V CB -0.346 31.478 31.823 0.001 0.000 0.641 62 V HN 0.334 nan 8.190 nan 0.000 0.449 63 M N 0.997 120.642 119.600 0.074 0.000 2.067 63 M HA -0.027 4.396 4.480 -0.095 0.000 0.260 63 M C 2.224 178.596 176.300 0.119 0.000 1.069 63 M CA 2.192 57.545 55.300 0.089 0.000 1.117 63 M CB -1.402 31.244 32.600 0.078 0.000 1.334 63 M HN 0.375 nan 8.290 nan 0.000 0.407 64 G N -1.000 107.870 108.800 0.117 0.000 2.469 64 G HA2 -0.276 3.627 3.960 -0.095 0.000 0.219 64 G HA3 -0.276 3.627 3.960 -0.095 0.000 0.219 64 G C 1.417 176.423 174.900 0.177 0.000 1.150 64 G CA 1.328 46.498 45.100 0.118 0.000 0.763 64 G HN 0.704 nan 8.290 nan 0.000 0.561 65 Y N -0.608 119.698 120.300 0.010 0.000 2.485 65 Y HA 0.540 5.032 4.550 -0.095 0.000 0.260 65 Y C 0.936 176.842 175.900 0.009 0.000 1.173 65 Y CA -0.666 57.439 58.100 0.008 0.000 1.252 65 Y CB 0.290 38.752 38.460 0.005 0.000 1.123 65 Y HN 0.096 nan 8.280 nan 0.000 0.524 66 Q N 2.075 121.896 119.800 0.034 0.000 2.235 66 Q HA 0.220 4.504 4.340 -0.095 0.000 0.256 66 Q C 0.087 176.069 176.000 -0.030 0.000 0.951 66 Q CA -0.532 55.230 55.803 -0.069 0.000 0.890 66 Q CB 2.148 30.895 28.738 0.014 0.000 1.279 66 Q HN 0.381 nan 8.270 nan 0.000 0.444 67 K N 1.657 122.027 120.400 -0.050 0.000 2.365 67 K HA 0.102 4.365 4.320 -0.095 0.000 0.195 67 K C 1.222 177.819 176.600 -0.005 0.000 1.079 67 K CA 0.122 56.395 56.287 -0.023 0.000 0.979 67 K CB 0.478 32.952 32.500 -0.044 0.000 0.929 67 K HN 0.449 nan 8.250 nan 0.000 0.523 68 K N 0.396 120.792 120.400 -0.005 0.000 2.009 68 K HA -0.103 4.160 4.320 -0.095 0.000 0.210 68 K C 0.528 177.144 176.600 0.026 0.000 1.049 68 K CA 1.060 57.353 56.287 0.009 0.000 0.929 68 K CB 0.052 32.556 32.500 0.007 0.000 0.714 68 K HN 0.069 nan 8.250 nan 0.000 0.440 69 L N 1.125 122.373 121.223 0.041 0.000 2.518 69 L HA 0.232 4.516 4.340 -0.095 0.000 0.262 69 L C -1.548 175.364 176.870 0.070 0.000 0.982 69 L CA -0.647 54.226 54.840 0.055 0.000 0.873 69 L CB 1.017 43.114 42.059 0.064 0.000 1.198 69 L HN 0.035 nan 8.230 nan 0.000 0.427 70 R N 2.034 122.574 120.500 0.067 0.000 2.576 70 R HA 0.473 4.756 4.340 -0.095 0.000 0.283 70 R C -0.709 175.639 176.300 0.080 0.000 1.493 70 R CA -0.488 55.659 56.100 0.078 0.000 1.170 70 R CB 0.982 31.322 30.300 0.066 0.000 1.189 70 R HN 0.421 nan 8.270 nan 0.000 0.542 71 S N 3.310 119.069 115.700 0.098 0.000 2.565 71 S HA 0.132 4.545 4.470 -0.095 0.000 0.276 71 S C 1.429 176.102 174.600 0.122 0.000 1.326 71 S CA -0.854 57.408 58.200 0.103 0.000 1.045 71 S CB 0.790 64.054 63.200 0.106 0.000 0.918 71 S HN 0.553 nan 8.310 nan 0.000 0.505 72 M N 2.391 122.066 119.600 0.124 0.000 2.146 72 M HA -0.149 4.274 4.480 -0.095 0.000 0.256 72 M C 2.400 178.841 176.300 0.235 0.000 1.075 72 M CA 2.324 57.702 55.300 0.132 0.000 1.082 72 M CB -2.374 30.322 32.600 0.159 0.000 1.355 72 M HN 1.023 nan 8.290 nan 0.000 0.402 73 T N -2.417 112.328 114.554 0.319 0.000 2.929 73 T HA -0.136 4.157 4.350 -0.095 0.000 0.271 73 T C 1.400 176.294 174.700 0.323 0.000 1.085 73 T CA 1.343 63.679 62.100 0.395 0.000 1.125 73 T CB -0.371 68.640 68.868 0.238 0.000 0.874 73 T HN 0.338 nan 8.240 nan 0.000 0.494 74 D N 1.274 121.817 120.400 0.238 0.000 2.183 74 D HA -0.031 4.553 4.640 -0.095 0.000 0.203 74 D C 2.068 178.496 176.300 0.213 0.000 0.969 74 D CA 0.902 55.041 54.000 0.232 0.000 0.842 74 D CB -0.110 40.807 40.800 0.196 0.000 0.957 74 D HN 0.472 nan 8.370 nan 0.000 0.484 75 K N -0.059 120.425 120.400 0.140 0.000 2.057 75 K HA -0.149 4.114 4.320 -0.095 0.000 0.206 75 K C 2.070 178.739 176.600 0.116 0.000 1.050 75 K CA 0.916 57.249 56.287 0.078 0.000 0.935 75 K CB -0.012 32.439 32.500 -0.082 0.000 0.715 75 K HN 0.092 nan 8.250 nan 0.000 0.439 76 Y N 0.575 120.953 120.300 0.130 0.000 2.242 76 Y HA -0.094 4.401 4.550 -0.090 0.000 0.291 76 Y C 2.284 178.318 175.900 0.223 0.000 1.137 76 Y CA 1.197 59.364 58.100 0.111 0.000 1.181 76 Y CB -0.089 38.445 38.460 0.123 0.000 0.989 76 Y HN 0.001 nan 8.280 nan 0.000 0.527 77 R N -0.422 120.308 120.500 0.383 0.000 2.120 77 R HA -0.152 4.132 4.340 -0.095 0.000 0.234 77 R C 2.126 178.619 176.300 0.321 0.000 1.123 77 R CA 1.285 57.584 56.100 0.331 0.000 0.975 77 R CB -0.572 29.922 30.300 0.324 0.000 0.866 77 R HN 0.310 nan 8.270 nan 0.000 0.446 78 L N -0.039 121.378 121.223 0.323 0.000 2.093 78 L HA -0.137 4.146 4.340 -0.095 0.000 0.208 78 L C 1.754 178.812 176.870 0.313 0.000 1.085 78 L CA 1.860 56.865 54.840 0.276 0.000 0.755 78 L CB -0.244 41.959 42.059 0.241 0.000 0.904 78 L HN 0.102 nan 8.230 nan 0.000 0.435 79 H N -1.354 117.871 119.070 0.258 0.000 2.389 79 H HA -0.125 4.376 4.556 -0.092 0.000 0.299 79 H C 1.822 177.364 175.328 0.357 0.000 1.081 79 H CA 1.837 58.117 56.048 0.385 0.000 1.345 79 H CB -0.206 29.822 29.762 0.443 0.000 1.393 79 H HN 0.307 nan 8.280 nan 0.000 0.520 80 L N -0.611 120.850 121.223 0.397 0.000 2.044 80 L HA -0.091 4.193 4.340 -0.095 0.000 0.205 80 L C 2.417 179.430 176.870 0.238 0.000 1.075 80 L CA 1.659 56.667 54.840 0.280 0.000 0.747 80 L CB -0.868 41.348 42.059 0.262 0.000 0.903 80 L HN 0.156 nan 8.230 nan 0.000 0.435 81 S N -1.385 114.454 115.700 0.232 0.000 2.382 81 S HA -0.136 4.278 4.470 -0.095 0.000 0.228 81 S C 1.929 176.619 174.600 0.150 0.000 1.027 81 S CA 1.426 59.732 58.200 0.177 0.000 0.991 81 S CB -0.328 62.968 63.200 0.160 0.000 0.823 81 S HN 0.317 nan 8.310 nan 0.000 0.469 82 V N 1.894 121.913 119.914 0.174 0.000 2.427 82 V HA -0.081 3.982 4.120 -0.095 0.000 0.248 82 V C 2.776 178.963 176.094 0.155 0.000 1.051 82 V CA 1.624 64.024 62.300 0.166 0.000 1.048 82 V CB -1.216 30.723 31.823 0.192 0.000 0.666 82 V HN 0.584 nan 8.190 nan 0.000 0.456 83 A N -0.112 122.790 122.820 0.137 0.000 1.902 83 A HA -0.232 4.031 4.320 -0.095 0.000 0.217 83 A C 1.997 179.644 177.584 0.105 0.000 1.181 83 A CA 1.991 54.043 52.037 0.025 0.000 0.623 83 A CB -0.523 18.441 19.000 -0.059 0.000 0.818 83 A HN 0.539 nan 8.150 nan 0.000 0.443 84 D N -0.461 120.027 120.400 0.146 0.000 2.103 84 D HA -0.097 4.486 4.640 -0.095 0.000 0.199 84 D C 1.892 178.267 176.300 0.125 0.000 0.978 84 D CA 1.151 55.252 54.000 0.168 0.000 0.829 84 D CB -0.475 40.404 40.800 0.132 0.000 0.981 84 D HN 0.337 nan 8.370 nan 0.000 0.464 85 L N 0.660 121.934 121.223 0.086 0.000 2.042 85 L HA -0.151 4.132 4.340 -0.095 0.000 0.210 85 L C 2.251 179.160 176.870 0.065 0.000 1.076 85 L CA 1.234 56.103 54.840 0.048 0.000 0.749 85 L CB -0.447 41.640 42.059 0.047 0.000 0.893 85 L HN -0.004 nan 8.230 nan 0.000 0.432 86 L N -1.525 119.757 121.223 0.099 0.000 2.046 86 L HA -0.220 4.063 4.340 -0.095 0.000 0.208 86 L C 2.288 179.235 176.870 0.129 0.000 1.077 86 L CA 1.917 56.822 54.840 0.109 0.000 0.747 86 L CB -0.561 41.562 42.059 0.107 0.000 0.896 86 L HN 0.385 nan 8.230 nan 0.000 0.432 87 F N -0.559 119.389 119.950 -0.003 0.000 2.163 87 F HA -0.150 4.322 4.527 -0.092 0.000 0.297 87 F C 2.231 177.993 175.800 -0.062 0.000 1.094 87 F CA 1.647 59.628 58.000 -0.033 0.000 1.290 87 F CB -0.239 38.730 39.000 -0.053 0.000 1.017 87 F HN 0.031 nan 8.300 nan 0.000 0.483 88 V N -0.537 119.206 119.914 -0.286 0.000 2.490 88 V HA -0.251 3.812 4.120 -0.095 0.000 0.250 88 V C 2.132 178.204 176.094 -0.037 0.000 1.061 88 V CA 1.904 64.015 62.300 -0.315 0.000 1.064 88 V CB -1.210 30.508 31.823 -0.174 0.000 0.670 88 V HN 0.476 nan 8.190 nan 0.000 0.461 89 I N 0.803 121.398 120.570 0.042 0.000 2.454 89 I HA -0.204 3.909 4.170 -0.095 0.000 0.254 89 I C 2.637 178.799 176.117 0.075 0.000 1.156 89 I CA 2.040 63.425 61.300 0.142 0.000 1.433 89 I CB -0.478 37.600 38.000 0.130 0.000 1.082 89 I HN 0.325 nan 8.210 nan 0.000 0.432 90 T N 0.683 115.240 114.554 0.006 0.000 3.055 90 T HA 0.030 4.324 4.350 -0.095 0.000 0.265 90 T C 1.849 176.602 174.700 0.088 0.000 1.111 90 T CA 0.587 62.771 62.100 0.139 0.000 1.118 90 T CB -0.047 68.850 68.868 0.048 0.000 0.909 90 T HN 0.223 nan 8.240 nan 0.000 0.501 91 L N 1.712 122.754 121.223 -0.301 0.000 2.042 91 L HA -0.080 4.204 4.340 -0.095 0.000 0.210 91 L C -0.338 176.354 176.870 -0.297 0.000 1.076 91 L CA 1.370 55.975 54.840 -0.392 0.000 0.749 91 L CB -1.585 40.217 42.059 -0.427 0.000 0.893 91 L HN 0.207 nan 8.230 nan 0.000 0.432 92 P HA -0.204 nan 4.420 nan 0.000 0.218 92 P C 1.524 178.626 177.300 -0.329 0.000 1.148 92 P CA 1.608 64.380 63.100 -0.547 0.000 0.822 92 P CB -0.096 31.099 31.700 -0.843 0.000 0.784 93 F N -1.515 118.271 119.950 -0.275 0.000 2.102 93 F HA -0.116 4.355 4.527 -0.095 0.000 0.298 93 F C 2.476 178.303 175.800 0.046 0.000 1.105 93 F CA 1.113 58.937 58.000 -0.295 0.000 1.239 93 F CB -1.691 37.036 39.000 -0.455 0.000 0.991 93 F HN -0.111 nan 8.300 nan 0.000 0.474 94 W N 0.319 121.583 121.300 -0.060 0.000 2.338 94 W HA -0.158 4.445 4.660 -0.095 0.000 0.304 94 W C 2.630 179.050 176.519 -0.165 0.000 1.212 94 W CA 1.896 59.069 57.345 -0.286 0.000 1.264 94 W CB -1.079 27.855 29.460 -0.877 0.000 1.142 94 W HN -0.037 nan 8.180 nan 0.000 0.512 95 A N -0.496 122.433 122.820 0.182 0.000 1.898 95 A HA -0.121 4.143 4.320 -0.095 0.000 0.216 95 A C 2.039 179.749 177.584 0.210 0.000 1.181 95 A CA 1.953 54.163 52.037 0.288 0.000 0.620 95 A CB -1.046 18.057 19.000 0.173 0.000 0.819 95 A HN 0.084 nan 8.150 nan 0.000 0.442 96 V N 0.585 120.611 119.914 0.187 0.000 2.358 96 V HA -0.239 3.824 4.120 -0.095 0.000 0.246 96 V C 2.313 178.551 176.094 0.239 0.000 1.047 96 V CA 2.449 64.882 62.300 0.222 0.000 1.035 96 V CB -0.711 31.297 31.823 0.309 0.000 0.658 96 V HN 0.802 nan 8.190 nan 0.000 0.452 97 D N 0.353 120.939 120.400 0.310 0.000 2.144 97 D HA -0.136 4.447 4.640 -0.095 0.000 0.199 97 D C 2.037 178.458 176.300 0.202 0.000 0.984 97 D CA 1.458 55.637 54.000 0.299 0.000 0.834 97 D CB -0.089 40.937 40.800 0.376 0.000 0.955 97 D HN 0.374 nan 8.370 nan 0.000 0.465 98 A N 0.063 123.020 122.820 0.228 0.000 1.929 98 A HA 0.024 4.287 4.320 -0.095 0.000 0.216 98 A C 2.421 180.102 177.584 0.162 0.000 1.176 98 A CA 1.684 53.857 52.037 0.227 0.000 0.628 98 A CB -0.856 18.358 19.000 0.357 0.000 0.816 98 A HN 0.297 nan 8.150 nan 0.000 0.444 99 V N -3.078 116.925 119.914 0.149 0.000 2.231 99 V HA 0.252 4.315 4.120 -0.095 0.000 0.240 99 V C 2.147 178.299 176.094 0.095 0.000 1.039 99 V CA 1.940 64.305 62.300 0.108 0.000 0.998 99 V CB -0.871 31.008 31.823 0.093 0.000 0.639 99 V HN 0.529 nan 8.190 nan 0.000 0.451 100 A N -1.085 121.796 122.820 0.102 0.000 1.977 100 A HA 0.497 4.761 4.320 -0.095 0.000 0.197 100 A C 0.853 178.438 177.584 0.003 0.000 1.554 100 A CA 0.631 52.714 52.037 0.077 0.000 1.037 100 A CB 0.119 19.194 19.000 0.125 0.000 1.083 100 A HN 0.624 nan 8.150 nan 0.000 0.471 101 N N -2.889 115.740 118.700 -0.118 0.000 3.378 101 N HA 0.225 4.909 4.740 -0.095 0.000 0.294 101 N C -2.238 173.009 175.510 -0.438 0.000 1.544 101 N CA -0.377 52.439 53.050 -0.391 0.000 0.872 101 N CB 0.718 38.829 38.487 -0.626 0.000 1.670 101 N HN 0.263 nan 8.380 nan 0.000 0.551 102 W N 2.805 123.712 121.300 -0.653 0.000 2.485 102 W HA 0.328 4.931 4.660 -0.095 0.000 0.297 102 W C -0.885 175.341 176.519 -0.488 0.000 0.999 102 W CA -0.297 56.830 57.345 -0.364 0.000 1.512 102 W CB 0.029 29.485 29.460 -0.008 0.000 1.322 102 W HN 0.707 nan 8.180 nan 0.000 0.419 103 Y N 2.555 122.395 120.300 -0.766 0.000 2.500 103 Y HA 0.018 4.511 4.550 -0.095 0.000 0.270 103 Y C 1.698 177.196 175.900 -0.670 0.000 1.134 103 Y CA 0.278 57.991 58.100 -0.645 0.000 1.293 103 Y CB -0.441 37.624 38.460 -0.657 0.000 1.063 103 Y HN 0.179 nan 8.280 nan 0.000 0.534 104 F N 0.580 120.220 119.950 -0.517 0.000 2.171 104 F HA 0.139 4.609 4.527 -0.094 0.000 0.300 104 F C 1.801 177.617 175.800 0.027 0.000 1.090 104 F CA 0.974 58.759 58.000 -0.359 0.000 1.293 104 F CB -0.762 37.825 39.000 -0.690 0.000 1.013 104 F HN 0.112 nan 8.300 nan 0.000 0.486 105 G N 0.132 109.158 108.800 0.378 0.000 2.582 105 G HA2 -0.279 3.624 3.960 -0.095 0.000 0.222 105 G HA3 -0.279 3.624 3.960 -0.095 0.000 0.222 105 G C 0.461 175.658 174.900 0.495 0.000 1.311 105 G CA -0.025 45.334 45.100 0.432 0.000 0.915 105 G HN 0.251 nan 8.290 nan 0.000 0.528 106 N N -0.735 118.149 118.700 0.307 0.000 2.039 106 N HA -0.101 4.583 4.740 -0.095 0.000 0.193 106 N C 2.292 177.939 175.510 0.228 0.000 1.044 106 N CA 2.323 55.503 53.050 0.216 0.000 0.847 106 N CB -0.147 38.435 38.487 0.159 0.000 1.030 106 N HN 0.554 nan 8.380 nan 0.000 0.422 107 F N 1.145 121.177 119.950 0.137 0.000 2.102 107 F HA -0.112 4.359 4.527 -0.094 0.000 0.298 107 F C 2.177 178.041 175.800 0.107 0.000 1.105 107 F CA 0.853 58.923 58.000 0.117 0.000 1.239 107 F CB -0.182 38.884 39.000 0.111 0.000 0.991 107 F HN 0.043 nan 8.300 nan 0.000 0.474 108 L N -0.596 120.805 121.223 0.296 0.000 2.291 108 L HA -0.168 4.115 4.340 -0.095 0.000 0.214 108 L C 2.586 179.576 176.870 0.200 0.000 1.120 108 L CA 1.110 56.044 54.840 0.158 0.000 0.799 108 L CB -1.109 41.047 42.059 0.162 0.000 0.925 108 L HN 0.446 nan 8.230 nan 0.000 0.446 109 c N -0.515 118.273 118.600 0.313 0.000 2.440 109 c HA -0.141 4.372 4.570 -0.095 0.000 0.278 109 c C 2.795 176.828 174.090 -0.095 0.000 1.295 109 c CA 0.661 57.018 56.329 0.047 0.000 1.738 109 c CB -0.529 41.888 42.510 -0.155 0.000 1.987 109 c HN 0.486 nan 8.230 nan 0.000 0.492 110 K N 0.846 121.142 120.400 -0.174 0.000 2.001 110 K HA -0.010 4.253 4.320 -0.095 0.000 0.208 110 K C 2.382 178.738 176.600 -0.408 0.000 1.048 110 K CA 1.516 57.614 56.287 -0.315 0.000 0.932 110 K CB -0.412 31.888 32.500 -0.335 0.000 0.715 110 K HN 0.501 nan 8.250 nan 0.000 0.437 111 A N 1.158 123.716 122.820 -0.436 0.000 1.883 111 A HA -0.164 4.100 4.320 -0.095 0.000 0.217 111 A C 2.413 179.854 177.584 -0.239 0.000 1.186 111 A CA 1.704 53.508 52.037 -0.388 0.000 0.624 111 A CB -0.895 17.914 19.000 -0.318 0.000 0.822 111 A HN 0.086 nan 8.150 nan 0.000 0.444 112 V N -0.617 119.176 119.914 -0.201 0.000 2.343 112 V HA -0.293 3.770 4.120 -0.095 0.000 0.247 112 V C 2.392 178.430 176.094 -0.093 0.000 1.051 112 V CA 2.552 64.755 62.300 -0.161 0.000 1.036 112 V CB -1.032 30.666 31.823 -0.208 0.000 0.654 112 V HN 0.734 nan 8.190 nan 0.000 0.451 113 H N -0.269 118.699 119.070 -0.170 0.000 2.389 113 H HA -0.102 4.397 4.556 -0.095 0.000 0.299 113 H C 2.171 177.448 175.328 -0.085 0.000 1.081 113 H CA 1.916 57.902 56.048 -0.104 0.000 1.345 113 H CB -0.256 29.392 29.762 -0.190 0.000 1.393 113 H HN 0.436 nan 8.280 nan 0.000 0.520 114 V N -1.432 118.404 119.914 -0.130 0.000 2.548 114 V HA -0.101 3.963 4.120 -0.095 0.000 0.249 114 V C 2.074 178.119 176.094 -0.082 0.000 1.055 114 V CA 1.443 63.620 62.300 -0.205 0.000 1.065 114 V CB -0.569 30.920 31.823 -0.557 0.000 0.681 114 V HN 0.329 nan 8.190 nan 0.000 0.462 115 I N -0.815 119.739 120.570 -0.027 0.000 2.439 115 I HA -0.125 3.989 4.170 -0.095 0.000 0.251 115 I C 2.524 178.722 176.117 0.134 0.000 1.139 115 I CA 1.907 63.242 61.300 0.059 0.000 1.438 115 I CB -0.337 37.715 38.000 0.088 0.000 1.085 115 I HN 0.428 nan 8.210 nan 0.000 0.427 116 Y N 1.895 122.218 120.300 0.037 0.000 2.200 116 Y HA -0.256 4.239 4.550 -0.092 0.000 0.290 116 Y C 2.733 178.529 175.900 -0.172 0.000 1.137 116 Y CA 1.964 60.037 58.100 -0.045 0.000 1.163 116 Y CB -0.798 37.745 38.460 0.138 0.000 0.988 116 Y HN 0.243 nan 8.280 nan 0.000 0.518 117 T N -2.172 112.259 114.554 -0.205 0.000 2.777 117 T HA -0.174 4.120 4.350 -0.095 0.000 0.266 117 T C 2.077 176.647 174.700 -0.216 0.000 1.040 117 T CA 1.227 63.148 62.100 -0.298 0.000 1.141 117 T CB -1.258 67.555 68.868 -0.091 0.000 0.868 117 T HN 0.224 nan 8.240 nan 0.000 0.444 118 V N 2.726 122.571 119.914 -0.114 0.000 2.343 118 V HA -0.189 3.874 4.120 -0.095 0.000 0.247 118 V C 2.564 178.547 176.094 -0.185 0.000 1.051 118 V CA 2.241 64.477 62.300 -0.107 0.000 1.036 118 V CB -0.760 30.991 31.823 -0.119 0.000 0.654 118 V HN 0.624 nan 8.190 nan 0.000 0.451 119 N N -0.448 118.118 118.700 -0.223 0.000 2.309 119 N HA -0.144 4.539 4.740 -0.095 0.000 0.182 119 N C 1.837 177.204 175.510 -0.237 0.000 1.018 119 N CA 1.494 54.410 53.050 -0.223 0.000 0.876 119 N CB -0.051 38.257 38.487 -0.299 0.000 0.972 119 N HN 0.448 nan 8.380 nan 0.000 0.434 120 L N 0.348 121.321 121.223 -0.417 0.000 2.056 120 L HA -0.080 4.203 4.340 -0.095 0.000 0.207 120 L C 1.611 178.260 176.870 -0.368 0.000 1.078 120 L CA 1.495 56.030 54.840 -0.509 0.000 0.749 120 L CB -0.671 40.876 42.059 -0.853 0.000 0.901 120 L HN 0.162 nan 8.230 nan 0.000 0.433 121 Y N -1.362 118.878 120.300 -0.099 0.000 2.262 121 Y HA -0.061 4.432 4.550 -0.094 0.000 0.295 121 Y C 2.851 178.790 175.900 0.065 0.000 1.121 121 Y CA 0.873 58.986 58.100 0.021 0.000 1.144 121 Y CB -1.207 37.269 38.460 0.027 0.000 1.043 121 Y HN 0.273 nan 8.280 nan 0.000 0.528 122 S N -0.011 115.731 115.700 0.070 0.000 2.359 122 S HA -0.246 4.168 4.470 -0.095 0.000 0.224 122 S C 2.253 176.856 174.600 0.006 0.000 1.035 122 S CA 1.500 59.671 58.200 -0.047 0.000 1.018 122 S CB -1.261 61.736 63.200 -0.338 0.000 0.876 122 S HN 0.526 nan 8.310 nan 0.000 0.448 123 S N 1.910 117.606 115.700 -0.007 0.000 2.359 123 S HA -0.136 4.278 4.470 -0.095 0.000 0.222 123 S C 1.933 176.412 174.600 -0.200 0.000 1.038 123 S CA 1.307 59.504 58.200 -0.005 0.000 1.051 123 S CB -1.402 61.892 63.200 0.157 0.000 0.944 123 S HN 0.521 nan 8.310 nan 0.000 0.433 124 V N 0.027 119.776 119.914 -0.274 0.000 2.490 124 V HA -0.080 3.983 4.120 -0.095 0.000 0.250 124 V C 2.003 177.882 176.094 -0.358 0.000 1.061 124 V CA 1.791 63.814 62.300 -0.462 0.000 1.064 124 V CB -0.801 30.813 31.823 -0.348 0.000 0.670 124 V HN 0.708 nan 8.190 nan 0.000 0.461 125 W N -0.625 120.595 121.300 -0.134 0.000 2.584 125 W HA 0.109 4.690 4.660 -0.132 0.000 0.264 125 W C 2.176 178.647 176.519 -0.079 0.000 1.264 125 W CA 0.697 57.991 57.345 -0.085 0.000 1.306 125 W CB -0.044 29.360 29.460 -0.093 0.000 1.110 125 W HN 0.195 nan 8.180 nan 0.000 0.606 126 I N -0.174 120.453 120.570 0.095 0.000 2.353 126 I HA -0.277 3.837 4.170 -0.095 0.000 0.248 126 I C 2.028 178.149 176.117 0.006 0.000 1.119 126 I CA 1.118 62.474 61.300 0.093 0.000 1.417 126 I CB -0.322 37.765 38.000 0.144 0.000 1.078 126 I HN -0.086 nan 8.210 nan 0.000 0.421 127 L N 0.110 121.269 121.223 -0.108 0.000 2.141 127 L HA -0.136 4.147 4.340 -0.095 0.000 0.209 127 L C 2.742 179.506 176.870 -0.177 0.000 1.094 127 L CA 1.051 55.786 54.840 -0.175 0.000 0.763 127 L CB -0.762 41.111 42.059 -0.310 0.000 0.908 127 L HN 0.212 nan 8.230 nan 0.000 0.437 128 A N -0.183 122.546 122.820 -0.152 0.000 1.898 128 A HA -0.165 4.099 4.320 -0.095 0.000 0.216 128 A C 2.006 179.614 177.584 0.041 0.000 1.181 128 A CA 1.256 53.216 52.037 -0.129 0.000 0.620 128 A CB -0.619 18.250 19.000 -0.218 0.000 0.819 128 A HN 0.279 nan 8.150 nan 0.000 0.442 129 F N -0.301 119.581 119.950 -0.114 0.000 2.325 129 F HA 0.039 4.517 4.527 -0.081 0.000 0.299 129 F C 1.991 177.450 175.800 -0.569 0.000 1.090 129 F CA 0.473 58.347 58.000 -0.209 0.000 1.392 129 F CB -0.242 38.710 39.000 -0.080 0.000 1.053 129 F HN 0.125 nan 8.300 nan 0.000 0.521 130 I N -1.522 118.820 120.570 -0.380 0.000 2.286 130 I HA -0.260 3.853 4.170 -0.095 0.000 0.245 130 I C 2.427 178.438 176.117 -0.177 0.000 1.104 130 I CA 1.000 62.077 61.300 -0.371 0.000 1.397 130 I CB -0.367 37.524 38.000 -0.182 0.000 1.072 130 I HN -0.078 nan 8.210 nan 0.000 0.417 131 S N 0.578 116.181 115.700 -0.160 0.000 2.383 131 S HA -0.106 4.308 4.470 -0.095 0.000 0.227 131 S C 1.965 176.513 174.600 -0.087 0.000 1.026 131 S CA 1.113 59.223 58.200 -0.149 0.000 0.981 131 S CB -0.230 62.778 63.200 -0.321 0.000 0.818 131 S HN 0.269 nan 8.310 nan 0.000 0.472 132 L N 1.644 122.796 121.223 -0.117 0.000 2.017 132 L HA -0.173 4.111 4.340 -0.095 0.000 0.208 132 L C 2.508 179.400 176.870 0.038 0.000 1.073 132 L CA 1.654 56.457 54.840 -0.062 0.000 0.745 132 L CB -0.509 41.424 42.059 -0.210 0.000 0.894 132 L HN 0.384 nan 8.230 nan 0.000 0.432 133 D N -0.265 120.118 120.400 -0.027 0.000 2.133 133 D HA -0.241 4.342 4.640 -0.095 0.000 0.195 133 D C 2.112 178.456 176.300 0.074 0.000 0.997 133 D CA 1.220 55.253 54.000 0.056 0.000 0.840 133 D CB 0.174 41.015 40.800 0.068 0.000 0.947 133 D HN 0.192 nan 8.370 nan 0.000 0.452 134 R N -0.217 120.324 120.500 0.068 0.000 2.075 134 R HA -0.160 4.123 4.340 -0.095 0.000 0.232 134 R C 2.375 178.728 176.300 0.089 0.000 1.126 134 R CA 0.816 56.968 56.100 0.087 0.000 0.963 134 R CB -1.449 28.921 30.300 0.116 0.000 0.858 134 R HN 0.463 nan 8.270 nan 0.000 0.435 135 Y N 1.828 122.116 120.300 -0.019 0.000 2.181 135 Y HA -0.144 4.407 4.550 0.002 0.000 0.288 135 Y C 2.037 177.893 175.900 -0.072 0.000 1.146 135 Y CA 1.454 59.523 58.100 -0.052 0.000 1.164 135 Y CB -0.419 38.005 38.460 -0.060 0.000 0.982 135 Y HN -0.092 nan 8.280 nan 0.000 0.515 136 L N -0.155 120.974 121.223 -0.158 0.000 2.156 136 L HA -0.084 4.199 4.340 -0.095 0.000 0.208 136 L C 2.759 179.563 176.870 -0.109 0.000 1.095 136 L CA 0.925 55.665 54.840 -0.167 0.000 0.770 136 L CB -0.920 41.154 42.059 0.025 0.000 0.914 136 L HN 0.333 nan 8.230 nan 0.000 0.439 137 A N 0.154 122.949 122.820 -0.042 0.000 1.929 137 A HA -0.078 4.185 4.320 -0.095 0.000 0.216 137 A C 2.126 179.699 177.584 -0.018 0.000 1.176 137 A CA 1.118 53.155 52.037 -0.000 0.000 0.628 137 A CB -0.182 18.844 19.000 0.044 0.000 0.816 137 A HN 0.246 nan 8.150 nan 0.000 0.444 138 I N -0.620 119.916 120.570 -0.057 0.000 2.512 138 I HA -0.039 4.075 4.170 -0.095 0.000 0.247 138 I C 2.428 178.458 176.117 -0.146 0.000 1.094 138 I CA 0.941 62.215 61.300 -0.043 0.000 1.427 138 I CB -1.402 36.602 38.000 0.008 0.000 1.149 138 I HN 0.122 nan 8.210 nan 0.000 0.438 139 V N 1.032 120.742 119.914 -0.341 0.000 2.302 139 V HA -0.156 3.907 4.120 -0.095 0.000 0.243 139 V C 1.653 177.416 176.094 -0.550 0.000 1.036 139 V CA 1.470 63.441 62.300 -0.549 0.000 1.020 139 V CB -0.890 30.419 31.823 -0.857 0.000 0.657 139 V HN 0.419 nan 8.190 nan 0.000 0.453 140 H N 0.060 118.961 119.070 -0.282 0.000 2.550 140 H HA 0.558 5.048 4.556 -0.110 0.000 0.304 140 H C 1.805 177.071 175.328 -0.104 0.000 1.086 140 H CA 0.225 56.161 56.048 -0.187 0.000 1.089 140 H CB -0.317 29.317 29.762 -0.213 0.000 1.528 140 H HN 0.380 nan 8.280 nan 0.000 0.539 141 A N 0.770 123.583 122.820 -0.012 0.000 1.896 141 A HA -0.230 4.033 4.320 -0.095 0.000 0.220 141 A C 2.064 179.667 177.584 0.032 0.000 1.206 141 A CA 2.799 54.846 52.037 0.017 0.000 0.647 141 A CB -0.415 18.603 19.000 0.030 0.000 0.828 141 A HN 0.423 nan 8.150 nan 0.000 0.455 142 T N -1.835 112.737 114.554 0.030 0.000 2.989 142 T HA 0.050 4.343 4.350 -0.095 0.000 0.250 142 T C 1.573 176.285 174.700 0.020 0.000 0.981 142 T CA 0.187 62.302 62.100 0.026 0.000 0.980 142 T CB -0.174 68.711 68.868 0.027 0.000 1.133 142 T HN 0.496 nan 8.240 nan 0.000 0.489 143 N N 2.531 121.247 118.700 0.027 0.000 2.060 143 N HA -0.084 4.599 4.740 -0.095 0.000 0.195 143 N C 0.928 176.434 175.510 -0.007 0.000 1.028 143 N CA 1.548 54.611 53.050 0.021 0.000 0.861 143 N CB -0.157 38.368 38.487 0.063 0.000 1.029 143 N HN 0.502 nan 8.380 nan 0.000 0.428 144 S N 0.793 116.491 115.700 -0.004 0.000 2.647 144 S HA 0.308 4.721 4.470 -0.095 0.000 0.300 144 S C -0.173 174.420 174.600 -0.012 0.000 1.129 144 S CA -0.627 57.543 58.200 -0.049 0.000 1.029 144 S CB 1.771 64.869 63.200 -0.170 0.000 1.007 144 S HN 0.060 nan 8.310 nan 0.000 0.484 145 Q N 1.610 121.403 119.800 -0.012 0.000 2.414 145 Q HA 0.058 4.341 4.340 -0.095 0.000 0.288 145 Q C 0.621 176.626 176.000 0.009 0.000 1.086 145 Q CA 0.010 55.815 55.803 0.002 0.000 0.943 145 Q CB 0.491 29.229 28.738 -0.001 0.000 1.282 145 Q HN 0.776 nan 8.270 nan 0.000 0.438 146 R N 2.675 123.187 120.500 0.020 0.000 2.537 146 R HA -0.020 4.263 4.340 -0.095 0.000 0.281 146 R C -2.276 174.042 176.300 0.029 0.000 0.988 146 R CA -0.626 55.493 56.100 0.030 0.000 1.077 146 R CB -0.013 30.309 30.300 0.036 0.000 0.932 146 R HN 0.385 nan 8.270 nan 0.000 0.409 147 P HA 0.233 nan 4.420 nan 0.000 0.300 147 P C 0.774 178.109 177.300 0.058 0.000 1.349 147 P CA -0.216 62.906 63.100 0.038 0.000 1.054 147 P CB 0.432 32.152 31.700 0.033 0.000 1.548 148 R N 0.843 121.385 120.500 0.071 0.000 2.139 148 R HA -0.114 4.170 4.340 -0.095 0.000 0.243 148 R C 1.778 178.133 176.300 0.092 0.000 1.145 148 R CA 1.353 57.517 56.100 0.107 0.000 0.976 148 R CB -0.002 30.357 30.300 0.099 0.000 0.866 148 R HN 0.084 nan 8.270 nan 0.000 0.449 149 K N 0.077 120.510 120.400 0.055 0.000 2.031 149 K HA -0.136 4.128 4.320 -0.095 0.000 0.205 149 K C 2.073 178.689 176.600 0.026 0.000 1.049 149 K CA 0.838 57.142 56.287 0.029 0.000 0.939 149 K CB -0.272 32.240 32.500 0.020 0.000 0.717 149 K HN 0.130 nan 8.250 nan 0.000 0.438 150 L N 1.504 122.751 121.223 0.041 0.000 2.046 150 L HA -0.141 4.143 4.340 -0.095 0.000 0.208 150 L C 2.195 179.121 176.870 0.094 0.000 1.077 150 L CA 1.262 56.132 54.840 0.050 0.000 0.747 150 L CB -0.270 41.817 42.059 0.047 0.000 0.896 150 L HN 0.085 nan 8.230 nan 0.000 0.432 151 L N -1.480 119.825 121.223 0.137 0.000 2.093 151 L HA -0.121 4.162 4.340 -0.095 0.000 0.208 151 L C 2.585 179.613 176.870 0.264 0.000 1.085 151 L CA 1.039 56.045 54.840 0.277 0.000 0.755 151 L CB -0.922 41.284 42.059 0.245 0.000 0.904 151 L HN 0.275 nan 8.230 nan 0.000 0.435 152 A N -0.151 122.679 122.820 0.017 0.000 1.930 152 A HA -0.115 4.148 4.320 -0.095 0.000 0.215 152 A C 2.172 179.654 177.584 -0.169 0.000 1.176 152 A CA 1.098 52.925 52.037 -0.349 0.000 0.632 152 A CB -0.182 18.566 19.000 -0.420 0.000 0.819 152 A HN 0.395 nan 8.150 nan 0.000 0.445 153 E N -0.844 119.323 120.200 -0.056 0.000 2.086 153 E HA -0.019 4.274 4.350 -0.095 0.000 0.190 153 E C 1.683 178.246 176.600 -0.062 0.000 0.975 153 E CA 1.045 57.417 56.400 -0.046 0.000 0.813 153 E CB 0.078 29.752 29.700 -0.043 0.000 0.768 153 E HN 0.518 nan 8.360 nan 0.000 0.457 154 K N -0.571 119.824 120.400 -0.008 0.000 2.485 154 K HA 0.121 4.384 4.320 -0.095 0.000 0.200 154 K C 1.961 178.626 176.600 0.107 0.000 1.352 154 K CA 0.148 56.422 56.287 -0.023 0.000 0.953 154 K CB 0.598 33.076 32.500 -0.037 0.000 1.387 154 K HN -0.138 nan 8.250 nan 0.000 0.512 155 V N 1.742 121.764 119.914 0.180 0.000 2.287 155 V HA -0.238 3.825 4.120 -0.095 0.000 0.248 155 V C 2.151 178.434 176.094 0.316 0.000 1.053 155 V CA 1.767 64.228 62.300 0.268 0.000 1.027 155 V CB -0.376 31.642 31.823 0.324 0.000 0.646 155 V HN 0.157 nan 8.190 nan 0.000 0.447 156 V N -0.881 119.234 119.914 0.335 0.000 2.370 156 V HA -0.358 3.705 4.120 -0.095 0.000 0.252 156 V C 2.137 178.333 176.094 0.170 0.000 1.068 156 V CA 2.298 64.666 62.300 0.114 0.000 1.061 156 V CB -0.487 31.388 31.823 0.087 0.000 0.656 156 V HN 0.633 nan 8.190 nan 0.000 0.455 157 Y N -0.236 120.081 120.300 0.029 0.000 2.133 157 Y HA -0.132 4.360 4.550 -0.097 0.000 0.287 157 Y C 2.265 178.224 175.900 0.098 0.000 1.134 157 Y CA 2.114 60.221 58.100 0.012 0.000 1.133 157 Y CB -0.033 38.391 38.460 -0.059 0.000 0.987 157 Y HN 0.240 nan 8.280 nan 0.000 0.502 158 V N -1.994 118.055 119.914 0.225 0.000 3.650 158 V HA 0.157 4.220 4.120 -0.095 0.000 0.271 158 V C 1.889 178.025 176.094 0.072 0.000 1.281 158 V CA 1.140 63.521 62.300 0.135 0.000 1.120 158 V CB -0.269 31.620 31.823 0.109 0.000 0.856 158 V HN 0.457 nan 8.190 nan 0.000 0.443 159 G N -0.341 108.496 108.800 0.062 0.000 2.709 159 G HA2 0.146 4.049 3.960 -0.095 0.000 0.208 159 G HA3 0.146 4.049 3.960 -0.095 0.000 0.208 159 G C 1.175 175.943 174.900 -0.221 0.000 1.129 159 G CA 1.131 46.225 45.100 -0.011 0.000 0.793 159 G HN 0.331 nan 8.290 nan 0.000 0.524 160 V N -1.785 118.002 119.914 -0.213 0.000 3.159 160 V HA 0.226 4.289 4.120 -0.095 0.000 0.234 160 V C 1.953 178.003 176.094 -0.072 0.000 1.313 160 V CA 0.062 62.208 62.300 -0.258 0.000 1.271 160 V CB -0.108 31.520 31.823 -0.327 0.000 1.053 160 V HN 0.344 nan 8.190 nan 0.000 0.476 161 W N 0.829 122.043 121.300 -0.143 0.000 2.418 161 W HA 0.065 4.665 4.660 -0.099 0.000 0.319 161 W C 2.175 178.659 176.519 -0.058 0.000 1.183 161 W CA 1.419 58.707 57.345 -0.095 0.000 1.327 161 W CB -0.524 28.843 29.460 -0.154 0.000 1.163 161 W HN 0.096 nan 8.180 nan 0.000 0.479 162 I N 0.300 120.997 120.570 0.212 0.000 2.163 162 I HA -0.269 3.844 4.170 -0.095 0.000 0.243 162 I C -0.686 175.455 176.117 0.041 0.000 1.085 162 I CA 1.444 62.820 61.300 0.126 0.000 1.347 162 I CB -1.895 36.179 38.000 0.123 0.000 1.044 162 I HN -0.109 nan 8.210 nan 0.000 0.408 163 P HA -0.196 nan 4.420 nan 0.000 0.215 163 P C 1.461 178.705 177.300 -0.094 0.000 1.157 163 P CA 1.952 64.998 63.100 -0.091 0.000 0.868 163 P CB -0.057 31.527 31.700 -0.192 0.000 0.788 164 A N -1.073 121.689 122.820 -0.097 0.000 1.969 164 A HA -0.136 4.127 4.320 -0.095 0.000 0.218 164 A C 2.128 179.723 177.584 0.018 0.000 1.169 164 A CA 1.215 53.226 52.037 -0.044 0.000 0.635 164 A CB -1.627 17.356 19.000 -0.028 0.000 0.810 164 A HN 0.148 nan 8.150 nan 0.000 0.445 165 L N -0.805 120.437 121.223 0.030 0.000 2.376 165 L HA 0.060 4.343 4.340 -0.095 0.000 0.219 165 L C 1.929 178.863 176.870 0.106 0.000 1.133 165 L CA 0.997 55.888 54.840 0.084 0.000 0.816 165 L CB -0.029 42.102 42.059 0.120 0.000 0.933 165 L HN 0.383 nan 8.230 nan 0.000 0.449 166 L N -2.185 119.078 121.223 0.066 0.000 2.463 166 L HA 0.022 4.306 4.340 -0.095 0.000 0.219 166 L C 1.869 178.775 176.870 0.060 0.000 1.088 166 L CA 0.140 55.019 54.840 0.066 0.000 0.849 166 L CB -0.065 42.018 42.059 0.040 0.000 1.012 166 L HN 0.147 nan 8.230 nan 0.000 0.468 167 L N -0.563 120.673 121.223 0.022 0.000 2.552 167 L HA -0.070 4.214 4.340 -0.095 0.000 0.227 167 L C 2.263 179.166 176.870 0.055 0.000 1.146 167 L CA 0.782 55.619 54.840 -0.005 0.000 0.858 167 L CB -0.191 41.792 42.059 -0.126 0.000 0.969 167 L HN 0.130 nan 8.230 nan 0.000 0.451 168 T N -0.692 113.924 114.554 0.104 0.000 3.088 168 T HA 0.072 4.365 4.350 -0.095 0.000 0.259 168 T C 1.821 176.649 174.700 0.213 0.000 1.122 168 T CA 0.342 62.515 62.100 0.122 0.000 1.095 168 T CB -0.013 68.919 68.868 0.107 0.000 0.930 168 T HN 0.166 nan 8.240 nan 0.000 0.508 169 I N 2.555 123.274 120.570 0.248 0.000 2.163 169 I HA -0.126 3.987 4.170 -0.095 0.000 0.243 169 I C -0.482 175.795 176.117 0.268 0.000 1.085 169 I CA 1.259 62.733 61.300 0.289 0.000 1.347 169 I CB -1.158 36.947 38.000 0.175 0.000 1.044 169 I HN 0.201 nan 8.210 nan 0.000 0.408 170 P HA -0.154 nan 4.420 nan 0.000 0.223 170 P C 0.479 177.925 177.300 0.243 0.000 1.144 170 P CA 1.527 64.760 63.100 0.222 0.000 0.783 170 P CB -0.138 31.422 31.700 -0.235 0.000 0.771 171 D N -1.865 118.604 120.400 0.116 0.000 2.360 171 D HA 0.072 4.655 4.640 -0.095 0.000 0.210 171 D C 1.543 177.829 176.300 -0.022 0.000 1.047 171 D CA 0.110 54.132 54.000 0.037 0.000 0.854 171 D CB -0.335 40.466 40.800 0.001 0.000 0.936 171 D HN 0.204 nan 8.370 nan 0.000 0.514 172 F N 0.505 120.464 119.950 0.014 0.000 2.367 172 F HA -0.002 4.468 4.527 -0.096 0.000 0.298 172 F C 2.094 177.858 175.800 -0.061 0.000 1.094 172 F CA 0.562 58.541 58.000 -0.034 0.000 1.409 172 F CB 0.537 39.528 39.000 -0.014 0.000 1.064 172 F HN -0.086 nan 8.300 nan 0.000 0.528 173 I N -2.035 118.617 120.570 0.137 0.000 3.971 173 I HA -0.013 4.100 4.170 -0.095 0.000 0.303 173 I C 1.385 177.380 176.117 -0.203 0.000 1.233 173 I CA 0.763 62.031 61.300 -0.053 0.000 1.346 173 I CB -0.354 37.575 38.000 -0.119 0.000 1.273 173 I HN -0.050 nan 8.210 nan 0.000 0.448 174 F N 1.990 121.856 119.950 -0.140 0.000 2.502 174 F HA 0.156 4.626 4.527 -0.094 0.000 0.298 174 F C 1.456 177.011 175.800 -0.409 0.000 1.111 174 F CA 0.302 58.118 58.000 -0.306 0.000 1.445 174 F CB -0.310 38.436 39.000 -0.422 0.000 1.081 174 F HN -0.032 nan 8.300 nan 0.000 0.558 175 A N 0.913 123.598 122.820 -0.225 0.000 2.269 175 A HA 0.510 4.773 4.320 -0.095 0.000 0.302 175 A C -0.197 177.216 177.584 -0.285 0.000 1.266 175 A CA -0.362 51.431 52.037 -0.407 0.000 0.894 175 A CB -0.019 18.610 19.000 -0.618 0.000 1.147 175 A HN 0.166 nan 8.150 nan 0.000 0.537 176 N N 0.382 118.967 118.700 -0.192 0.000 2.647 176 N HA 0.461 5.144 4.740 -0.095 0.000 0.266 176 N C -0.906 174.555 175.510 -0.082 0.000 1.373 176 N CA -0.496 52.487 53.050 -0.112 0.000 0.807 176 N CB 2.052 40.489 38.487 -0.083 0.000 1.513 176 N HN 0.479 nan 8.380 nan 0.000 0.505 177 V N -0.902 118.953 119.914 -0.098 0.000 2.432 177 V HA 0.482 4.545 4.120 -0.095 0.000 0.271 177 V C 0.631 176.627 176.094 -0.165 0.000 1.046 177 V CA -0.475 61.759 62.300 -0.109 0.000 0.945 177 V CB 0.825 32.639 31.823 -0.015 0.000 0.992 177 V HN 0.600 nan 8.190 nan 0.000 0.471 178 S N 3.200 118.809 115.700 -0.152 0.000 2.489 178 S HA 0.420 4.833 4.470 -0.095 0.000 0.291 178 S C 0.166 174.553 174.600 -0.355 0.000 1.151 178 S CA -0.642 57.397 58.200 -0.268 0.000 1.082 178 S CB 1.141 64.214 63.200 -0.212 0.000 1.019 178 S HN 0.902 nan 8.310 nan 0.000 0.492 179 E N 3.656 123.585 120.200 -0.452 0.000 2.830 179 E HA 0.272 4.565 4.350 -0.095 0.000 0.225 179 E C 1.196 177.685 176.600 -0.185 0.000 1.109 179 E CA -0.332 55.697 56.400 -0.619 0.000 1.392 179 E CB 0.426 29.672 29.700 -0.756 0.000 1.349 179 E HN 0.728 nan 8.360 nan 0.000 0.433 180 A N 1.153 123.920 122.820 -0.088 0.000 1.859 180 A HA -0.165 4.098 4.320 -0.095 0.000 0.217 180 A C 1.105 178.717 177.584 0.046 0.000 1.198 180 A CA 1.431 53.458 52.037 -0.016 0.000 0.629 180 A CB 0.106 19.115 19.000 0.016 0.000 0.830 180 A HN 0.240 nan 8.150 nan 0.000 0.446 181 D N -2.346 118.117 120.400 0.105 0.000 2.654 181 D HA 0.254 4.837 4.640 -0.095 0.000 0.255 181 D C -0.200 176.207 176.300 0.179 0.000 1.101 181 D CA -0.523 53.544 54.000 0.110 0.000 1.116 181 D CB 0.507 41.365 40.800 0.097 0.000 1.348 181 D HN 0.035 nan 8.370 nan 0.000 0.609 182 D N 0.013 120.489 120.400 0.127 0.000 2.311 182 D HA -0.119 4.464 4.640 -0.095 0.000 0.212 182 D C 0.724 177.044 176.300 0.032 0.000 0.972 182 D CA 0.948 55.004 54.000 0.092 0.000 0.887 182 D CB 0.233 41.052 40.800 0.033 0.000 0.915 182 D HN 0.079 nan 8.370 nan 0.000 0.497 183 R N 0.481 121.043 120.500 0.104 0.000 2.221 183 R HA 0.172 4.455 4.340 -0.095 0.000 0.327 183 R C -0.695 175.777 176.300 0.287 0.000 1.033 183 R CA -0.269 55.887 56.100 0.094 0.000 0.887 183 R CB 0.316 30.661 30.300 0.076 0.000 1.057 183 R HN 0.040 nan 8.270 nan 0.000 0.455 184 Y N 5.049 125.354 120.300 0.010 0.000 2.313 184 Y HA 0.273 4.766 4.550 -0.095 0.000 0.332 184 Y C 0.439 176.364 175.900 0.042 0.000 1.071 184 Y CA -1.238 56.881 58.100 0.032 0.000 1.169 184 Y CB 1.359 39.854 38.460 0.058 0.000 1.192 184 Y HN 0.260 nan 8.280 nan 0.000 0.487 185 I N 4.103 124.767 120.570 0.155 0.000 2.354 185 I HA 0.087 4.200 4.170 -0.095 0.000 0.286 185 I C -0.164 175.932 176.117 -0.034 0.000 1.007 185 I CA -0.809 60.534 61.300 0.073 0.000 1.167 185 I CB 0.803 38.875 38.000 0.120 0.000 1.320 185 I HN 0.607 nan 8.210 nan 0.000 0.458 186 c N 8.752 127.187 118.600 -0.277 0.000 2.246 186 c HA 0.735 5.249 4.570 -0.095 0.000 0.329 186 c C -0.214 173.619 174.090 -0.428 0.000 1.221 186 c CA 0.048 56.040 56.329 -0.562 0.000 1.697 186 c CB -1.093 40.518 42.510 -1.498 0.000 2.312 186 c HN 0.947 nan 8.230 nan 0.000 0.509 187 D N 4.091 124.246 120.400 -0.410 0.000 2.713 187 D HA 0.225 4.808 4.640 -0.095 0.000 0.306 187 D C -1.388 174.475 176.300 -0.728 0.000 1.299 187 D CA -0.710 52.980 54.000 -0.517 0.000 0.823 187 D CB 0.747 41.317 40.800 -0.384 0.000 1.353 187 D HN 0.624 nan 8.370 nan 0.000 0.447 188 R N 0.060 120.166 120.500 -0.656 0.000 2.296 188 R HA 0.388 4.672 4.340 -0.095 0.000 0.323 188 R C -0.770 175.086 176.300 -0.739 0.000 1.067 188 R CA -0.141 55.574 56.100 -0.642 0.000 0.946 188 R CB 0.222 30.244 30.300 -0.464 0.000 0.991 188 R HN 0.168 nan 8.270 nan 0.000 0.448 189 F N 3.890 123.608 119.950 -0.388 0.000 2.307 189 F HA 0.291 4.762 4.527 -0.094 0.000 0.369 189 F C -0.170 175.525 175.800 -0.175 0.000 1.076 189 F CA -0.700 57.175 58.000 -0.209 0.000 1.149 189 F CB 0.273 39.182 39.000 -0.152 0.000 1.410 189 F HN 0.417 nan 8.300 nan 0.000 0.481 190 Y N 2.767 123.194 120.300 0.213 0.000 2.344 190 Y HA 0.339 4.832 4.550 -0.094 0.000 0.330 190 Y C -1.122 174.850 175.900 0.120 0.000 1.330 190 Y CA -1.724 56.482 58.100 0.177 0.000 1.479 190 Y CB -0.015 38.474 38.460 0.048 0.000 1.428 190 Y HN 0.271 nan 8.280 nan 0.000 0.544 191 P HA 0.150 nan 4.420 nan 0.000 0.252 191 P C -1.105 176.305 177.300 0.182 0.000 1.218 191 P CA 0.638 63.822 63.100 0.140 0.000 0.807 191 P CB 0.528 32.262 31.700 0.056 0.000 1.072 192 N N -1.608 117.239 118.700 0.244 0.000 3.316 192 N HA 0.144 4.827 4.740 -0.095 0.000 0.300 192 N C -0.125 175.504 175.510 0.198 0.000 1.567 192 N CA -0.567 52.608 53.050 0.208 0.000 0.821 192 N CB -0.230 38.421 38.487 0.274 0.000 1.748 192 N HN -0.389 nan 8.380 nan 0.000 0.603 193 D N -0.516 119.965 120.400 0.135 0.000 2.277 193 D HA 0.237 4.820 4.640 -0.095 0.000 0.209 193 D C 1.328 177.664 176.300 0.060 0.000 0.970 193 D CA 0.336 54.397 54.000 0.102 0.000 0.874 193 D CB 0.156 40.997 40.800 0.068 0.000 0.982 193 D HN 0.389 nan 8.370 nan 0.000 0.504 194 L N -0.622 120.624 121.223 0.037 0.000 2.450 194 L HA -0.122 4.162 4.340 -0.095 0.000 0.225 194 L C 1.340 178.110 176.870 -0.168 0.000 1.145 194 L CA 0.697 55.496 54.840 -0.068 0.000 0.801 194 L CB -0.301 41.706 42.059 -0.087 0.000 0.924 194 L HN 0.256 nan 8.230 nan 0.000 0.447 195 W N -1.422 119.757 121.300 -0.201 0.000 2.812 195 W HA 0.019 4.622 4.660 -0.094 0.000 0.263 195 W C 2.194 178.398 176.519 -0.524 0.000 1.284 195 W CA 0.228 57.344 57.345 -0.382 0.000 1.430 195 W CB 0.146 29.452 29.460 -0.257 0.000 1.088 195 W HN -0.194 nan 8.180 nan 0.000 0.623 196 V N -0.359 119.495 119.914 -0.100 0.000 2.255 196 V HA -0.269 3.794 4.120 -0.095 0.000 0.243 196 V C 1.877 177.930 176.094 -0.070 0.000 1.038 196 V CA 1.763 63.985 62.300 -0.129 0.000 1.008 196 V CB -1.149 30.681 31.823 0.012 0.000 0.645 196 V HN -0.042 nan 8.190 nan 0.000 0.449 197 V N 1.092 120.975 119.914 -0.052 0.000 2.490 197 V HA -0.181 3.882 4.120 -0.095 0.000 0.250 197 V C 2.572 178.656 176.094 -0.016 0.000 1.061 197 V CA 1.885 64.182 62.300 -0.005 0.000 1.064 197 V CB -0.917 30.895 31.823 -0.018 0.000 0.670 197 V HN 0.565 nan 8.190 nan 0.000 0.461 198 V N -3.245 116.556 119.914 -0.187 0.000 2.759 198 V HA -0.123 3.941 4.120 -0.095 0.000 0.256 198 V C 2.163 178.198 176.094 -0.098 0.000 1.080 198 V CA 1.792 63.933 62.300 -0.265 0.000 1.101 198 V CB -0.881 30.625 31.823 -0.528 0.000 0.698 198 V HN 0.353 nan 8.190 nan 0.000 0.477 199 F N -0.002 119.919 119.950 -0.049 0.000 2.505 199 F HA 0.333 4.802 4.527 -0.097 0.000 0.289 199 F C 2.450 178.309 175.800 0.098 0.000 1.101 199 F CA 0.426 58.425 58.000 -0.001 0.000 1.446 199 F CB -0.497 38.429 39.000 -0.123 0.000 1.123 199 F HN 0.136 nan 8.300 nan 0.000 0.564 200 Q N -1.141 118.818 119.800 0.266 0.000 2.482 200 Q HA -0.035 4.249 4.340 -0.095 0.000 0.209 200 Q C 1.447 177.614 176.000 0.279 0.000 0.961 200 Q CA 0.528 56.485 55.803 0.256 0.000 0.945 200 Q CB -0.140 28.703 28.738 0.175 0.000 1.012 200 Q HN 0.407 nan 8.270 nan 0.000 0.515 201 F N 0.172 120.190 119.950 0.113 0.000 2.553 201 F HA 0.040 4.509 4.527 -0.095 0.000 0.282 201 F C 2.414 178.264 175.800 0.083 0.000 1.089 201 F CA 0.354 58.390 58.000 0.059 0.000 1.411 201 F CB 0.447 39.446 39.000 -0.002 0.000 1.125 201 F HN -0.013 nan 8.300 nan 0.000 0.610 202 Q N -0.595 119.406 119.800 0.335 0.000 2.170 202 Q HA -0.296 3.987 4.340 -0.095 0.000 0.203 202 Q C 2.010 178.155 176.000 0.242 0.000 0.976 202 Q CA 2.029 57.988 55.803 0.260 0.000 0.858 202 Q CB -0.288 28.642 28.738 0.319 0.000 0.907 202 Q HN 0.617 nan 8.270 nan 0.000 0.433 203 H N 0.060 119.262 119.070 0.222 0.000 2.357 203 H HA -0.067 4.434 4.556 -0.091 0.000 0.301 203 H C 1.697 177.103 175.328 0.131 0.000 1.082 203 H CA 1.770 57.973 56.048 0.258 0.000 1.342 203 H CB 0.028 29.894 29.762 0.174 0.000 1.389 203 H HN 0.228 nan 8.280 nan 0.000 0.511 204 I N -0.185 120.279 120.570 -0.176 0.000 2.353 204 I HA -0.143 3.970 4.170 -0.095 0.000 0.248 204 I C 2.261 178.216 176.117 -0.269 0.000 1.119 204 I CA 0.842 61.940 61.300 -0.336 0.000 1.417 204 I CB -0.938 36.845 38.000 -0.361 0.000 1.078 204 I HN 0.387 nan 8.210 nan 0.000 0.421 205 M N 1.019 120.516 119.600 -0.171 0.000 2.074 205 M HA -0.087 4.336 4.480 -0.095 0.000 0.259 205 M C 2.211 178.510 176.300 -0.003 0.000 1.079 205 M CA 1.957 57.206 55.300 -0.086 0.000 1.119 205 M CB -0.617 31.986 32.600 0.005 0.000 1.297 205 M HN -0.045 nan 8.290 nan 0.000 0.416 206 V N -0.105 119.842 119.914 0.054 0.000 2.667 206 V HA -0.080 3.984 4.120 -0.095 0.000 0.252 206 V C 2.280 178.550 176.094 0.293 0.000 1.065 206 V CA 1.774 64.157 62.300 0.139 0.000 1.083 206 V CB -1.455 30.282 31.823 -0.142 0.000 0.692 206 V HN 0.724 nan 8.190 nan 0.000 0.468 207 G N -1.488 107.444 108.800 0.220 0.000 2.459 207 G HA2 -0.003 3.900 3.960 -0.095 0.000 0.213 207 G HA3 -0.003 3.900 3.960 -0.095 0.000 0.213 207 G C 1.429 176.225 174.900 -0.173 0.000 1.155 207 G CA 0.576 45.740 45.100 0.106 0.000 0.811 207 G HN 0.433 nan 8.290 nan 0.000 0.534 208 L N -0.985 120.092 121.223 -0.244 0.000 2.758 208 L HA 0.434 4.718 4.340 -0.095 0.000 0.234 208 L C 2.386 179.096 176.870 -0.265 0.000 1.049 208 L CA 0.097 54.759 54.840 -0.296 0.000 0.908 208 L CB 0.224 42.035 42.059 -0.414 0.000 1.362 208 L HN 0.093 nan 8.230 nan 0.000 0.499 209 I N 0.078 120.516 120.570 -0.219 0.000 2.141 209 I HA -0.283 3.830 4.170 -0.095 0.000 0.236 209 I C 2.198 178.224 176.117 -0.151 0.000 1.071 209 I CA 1.392 62.587 61.300 -0.175 0.000 1.345 209 I CB -0.220 37.688 38.000 -0.153 0.000 1.066 209 I HN 0.138 nan 8.210 nan 0.000 0.406 210 L N 0.711 121.888 121.223 -0.078 0.000 1.989 210 L HA -0.150 4.134 4.340 -0.095 0.000 0.211 210 L C -0.302 176.392 176.870 -0.294 0.000 1.071 210 L CA 1.635 56.482 54.840 0.011 0.000 0.749 210 L CB -1.997 40.252 42.059 0.316 0.000 0.890 210 L HN 0.260 nan 8.230 nan 0.000 0.431 211 P HA -0.055 nan 4.420 nan 0.000 0.221 211 P C 1.609 178.519 177.300 -0.650 0.000 1.155 211 P CA 1.605 63.930 63.100 -1.291 0.000 0.812 211 P CB -0.143 30.478 31.700 -1.798 0.000 0.801 212 G N 0.512 109.046 108.800 -0.443 0.000 2.422 212 G HA2 -0.214 3.689 3.960 -0.095 0.000 0.218 212 G HA3 -0.214 3.689 3.960 -0.095 0.000 0.218 212 G C 1.626 176.369 174.900 -0.262 0.000 1.146 212 G CA 0.490 45.407 45.100 -0.304 0.000 0.769 212 G HN 0.228 nan 8.290 nan 0.000 0.547 213 I N 0.198 120.628 120.570 -0.234 0.000 2.142 213 I HA -0.165 3.948 4.170 -0.095 0.000 0.240 213 I C 2.814 178.808 176.117 -0.205 0.000 1.078 213 I CA 0.531 61.723 61.300 -0.180 0.000 1.343 213 I CB -0.306 37.618 38.000 -0.127 0.000 1.046 213 I HN 0.029 nan 8.210 nan 0.000 0.405 214 V N 1.241 121.015 119.914 -0.234 0.000 2.250 214 V HA -0.342 3.721 4.120 -0.095 0.000 0.250 214 V C 2.321 178.234 176.094 -0.301 0.000 1.060 214 V CA 2.288 64.447 62.300 -0.236 0.000 1.030 214 V CB -0.523 31.176 31.823 -0.206 0.000 0.643 214 V HN 0.328 nan 8.190 nan 0.000 0.445 215 I N -0.906 119.439 120.570 -0.375 0.000 2.163 215 I HA -0.282 3.831 4.170 -0.095 0.000 0.243 215 I C 2.324 178.091 176.117 -0.582 0.000 1.085 215 I CA 1.706 62.683 61.300 -0.539 0.000 1.347 215 I CB -0.276 37.419 38.000 -0.508 0.000 1.044 215 I HN 0.238 nan 8.210 nan 0.000 0.408 216 L N -0.398 120.625 121.223 -0.334 0.000 2.217 216 L HA -0.142 4.141 4.340 -0.095 0.000 0.211 216 L C 2.535 179.332 176.870 -0.122 0.000 1.107 216 L CA 0.925 55.658 54.840 -0.179 0.000 0.783 216 L CB -0.129 41.856 42.059 -0.123 0.000 0.919 216 L HN 0.169 nan 8.230 nan 0.000 0.442 217 S N -1.330 114.270 115.700 -0.167 0.000 2.345 217 S HA -0.191 4.222 4.470 -0.095 0.000 0.220 217 S C 2.055 176.581 174.600 -0.124 0.000 1.031 217 S CA 1.390 59.505 58.200 -0.142 0.000 0.996 217 S CB -0.454 62.638 63.200 -0.181 0.000 0.882 217 S HN 0.535 nan 8.310 nan 0.000 0.445 218 C N 0.765 119.961 119.300 -0.172 0.000 2.413 218 C HA -0.096 4.307 4.460 -0.095 0.000 0.276 218 C C 2.296 177.349 174.990 0.105 0.000 1.236 218 C CA 0.386 59.359 59.018 -0.074 0.000 1.735 218 C CB -1.590 26.075 27.740 -0.126 0.000 2.031 218 C HN 0.640 nan 8.230 nan 0.000 0.474 219 Y N -1.418 118.855 120.300 -0.044 0.000 2.483 219 Y HA -0.229 4.272 4.550 -0.081 0.000 0.291 219 Y C 2.806 178.690 175.900 -0.026 0.000 1.143 219 Y CA 0.431 58.511 58.100 -0.034 0.000 1.289 219 Y CB -0.123 38.304 38.460 -0.055 0.000 0.983 219 Y HN 0.442 nan 8.280 nan 0.000 0.556 220 C N -0.754 118.615 119.300 0.116 0.000 2.558 220 C HA 0.082 4.485 4.460 -0.095 0.000 0.288 220 C C 2.421 177.438 174.990 0.046 0.000 1.338 220 C CA 0.006 59.059 59.018 0.057 0.000 1.760 220 C CB -0.844 26.910 27.740 0.022 0.000 2.159 220 C HN 0.443 nan 8.230 nan 0.000 0.518 221 I N 0.693 121.291 120.570 0.047 0.000 2.286 221 I HA -0.136 3.977 4.170 -0.095 0.000 0.245 221 I C 2.089 178.253 176.117 0.078 0.000 1.104 221 I CA 1.561 62.896 61.300 0.059 0.000 1.397 221 I CB -0.245 37.797 38.000 0.070 0.000 1.072 221 I HN 0.272 nan 8.210 nan 0.000 0.417 222 I N 1.044 121.678 120.570 0.106 0.000 2.072 222 I HA -0.286 3.827 4.170 -0.095 0.000 0.235 222 I C 2.531 178.687 176.117 0.064 0.000 1.058 222 I CA 1.322 62.675 61.300 0.089 0.000 1.320 222 I CB -0.582 37.490 38.000 0.119 0.000 1.047 222 I HN 0.235 nan 8.210 nan 0.000 0.397 223 I N -0.484 120.123 120.570 0.062 0.000 2.502 223 I HA -0.273 3.840 4.170 -0.095 0.000 0.258 223 I C 2.241 178.389 176.117 0.051 0.000 1.172 223 I CA 1.997 63.326 61.300 0.049 0.000 1.430 223 I CB -1.158 36.860 38.000 0.030 0.000 1.086 223 I HN 0.247 nan 8.210 nan 0.000 0.440 224 S N 0.869 116.595 115.700 0.043 0.000 2.371 224 S HA -0.001 4.412 4.470 -0.095 0.000 0.221 224 S C 1.697 176.317 174.600 0.033 0.000 1.036 224 S CA 0.452 58.672 58.200 0.033 0.000 0.965 224 S CB -0.063 63.146 63.200 0.015 0.000 0.845 224 S HN 0.388 nan 8.310 nan 0.000 0.475 225 K N 1.212 121.620 120.400 0.014 0.000 2.476 225 K HA 0.261 4.524 4.320 -0.095 0.000 0.196 225 K C 1.074 177.686 176.600 0.020 0.000 1.025 225 K CA 0.031 56.310 56.287 -0.013 0.000 1.138 225 K CB 0.300 32.759 32.500 -0.067 0.000 0.860 225 K HN 0.388 nan 8.250 nan 0.000 0.515 226 L N -0.206 121.050 121.223 0.055 0.000 2.500 226 L HA 0.070 4.354 4.340 -0.095 0.000 0.219 226 L C 1.336 178.270 176.870 0.107 0.000 1.057 226 L CA 0.886 55.774 54.840 0.080 0.000 0.854 226 L CB 0.063 42.176 42.059 0.091 0.000 1.078 226 L HN 0.006 nan 8.230 nan 0.000 0.480 227 S N -1.178 114.589 115.700 0.113 0.000 2.710 227 S HA 0.067 4.481 4.470 -0.095 0.000 0.224 227 S C 0.707 175.409 174.600 0.171 0.000 0.948 227 S CA -0.409 57.870 58.200 0.132 0.000 0.949 227 S CB -0.945 62.321 63.200 0.109 0.000 0.778 227 S HN 0.560 nan 8.310 nan 0.000 0.498 237 A N 1.715 124.555 122.820 0.034 0.000 2.302 237 A HA 0.613 4.876 4.320 -0.095 0.000 0.295 237 A C 1.329 178.938 177.584 0.042 0.000 1.235 237 A CA 0.207 52.263 52.037 0.032 0.000 0.876 237 A CB -0.230 18.793 19.000 0.039 0.000 1.133 237 A HN 1.926 nan 8.150 nan 0.000 0.533 238 L N 0.930 122.174 121.223 0.035 0.000 2.463 238 L HA 0.236 4.519 4.340 -0.095 0.000 0.219 238 L C 1.751 178.634 176.870 0.021 0.000 1.088 238 L CA 0.711 55.577 54.840 0.042 0.000 0.849 238 L CB -1.761 40.326 42.059 0.047 0.000 1.012 238 L HN 0.769 nan 8.230 nan 0.000 0.468 239 K N 1.256 121.659 120.400 0.005 0.000 2.074 239 K HA -0.077 4.186 4.320 -0.095 0.000 0.209 239 K C 0.167 176.769 176.600 0.004 0.000 1.048 239 K CA 1.965 58.247 56.287 -0.008 0.000 0.926 239 K CB -1.521 30.976 32.500 -0.005 0.000 0.713 239 K HN 0.524 nan 8.250 nan 0.000 0.444 240 P HA -0.037 nan 4.420 nan 0.000 0.225 240 P C 1.222 178.542 177.300 0.033 0.000 1.156 240 P CA 1.113 64.220 63.100 0.012 0.000 0.787 240 P CB -0.040 31.654 31.700 -0.009 0.000 0.802 241 T N 0.201 114.787 114.554 0.052 0.000 2.777 241 T HA -0.064 4.229 4.350 -0.095 0.000 0.266 241 T C 1.924 176.699 174.700 0.124 0.000 1.040 241 T CA 1.226 63.382 62.100 0.093 0.000 1.141 241 T CB -0.731 68.203 68.868 0.110 0.000 0.868 241 T HN -0.132 nan 8.240 nan 0.000 0.444 242 V N 2.067 122.015 119.914 0.058 0.000 2.343 242 V HA -0.152 3.912 4.120 -0.095 0.000 0.247 242 V C 2.458 178.583 176.094 0.053 0.000 1.051 242 V CA 1.217 63.505 62.300 -0.019 0.000 1.036 242 V CB -0.596 31.119 31.823 -0.180 0.000 0.654 242 V HN 0.441 nan 8.190 nan 0.000 0.451 243 I N -0.344 120.259 120.570 0.056 0.000 2.142 243 I HA -0.206 3.907 4.170 -0.095 0.000 0.240 243 I C 2.438 178.636 176.117 0.135 0.000 1.078 243 I CA 1.568 62.918 61.300 0.083 0.000 1.343 243 I CB -1.369 36.666 38.000 0.058 0.000 1.046 243 I HN 0.329 nan 8.210 nan 0.000 0.405 244 L N 1.164 122.465 121.223 0.131 0.000 1.990 244 L HA -0.207 4.076 4.340 -0.095 0.000 0.213 244 L C 2.462 179.472 176.870 0.234 0.000 1.072 244 L CA 1.955 56.896 54.840 0.168 0.000 0.755 244 L CB -0.604 41.532 42.059 0.127 0.000 0.889 244 L HN 0.089 nan 8.230 nan 0.000 0.432 245 I N -1.242 119.453 120.570 0.210 0.000 2.179 245 I HA -0.322 3.791 4.170 -0.095 0.000 0.242 245 I C 2.452 178.782 176.117 0.355 0.000 1.088 245 I CA 1.443 62.883 61.300 0.233 0.000 1.357 245 I CB -0.268 37.846 38.000 0.189 0.000 1.051 245 I HN 0.282 nan 8.210 nan 0.000 0.409 246 L N 0.350 121.761 121.223 0.313 0.000 2.083 246 L HA -0.227 4.056 4.340 -0.095 0.000 0.209 246 L C 2.701 179.855 176.870 0.473 0.000 1.083 246 L CA 1.542 56.627 54.840 0.409 0.000 0.752 246 L CB -0.458 41.755 42.059 0.257 0.000 0.899 246 L HN 0.248 nan 8.230 nan 0.000 0.433 247 A N -0.895 122.121 122.820 0.327 0.000 1.898 247 A HA -0.258 4.005 4.320 -0.095 0.000 0.216 247 A C 2.154 179.917 177.584 0.297 0.000 1.181 247 A CA 1.390 53.580 52.037 0.255 0.000 0.620 247 A CB -0.853 18.273 19.000 0.210 0.000 0.819 247 A HN 0.430 nan 8.150 nan 0.000 0.442 248 F N -0.076 120.027 119.950 0.256 0.000 2.134 248 F HA -0.181 4.292 4.527 -0.090 0.000 0.299 248 F C 1.965 177.980 175.800 0.358 0.000 1.097 248 F CA 2.112 60.294 58.000 0.302 0.000 1.264 248 F CB -0.353 38.808 39.000 0.268 0.000 1.001 248 F HN 0.359 nan 8.300 nan 0.000 0.479 249 F N 0.905 121.119 119.950 0.441 0.000 2.134 249 F HA -0.083 4.390 4.527 -0.090 0.000 0.299 249 F C 2.111 178.048 175.800 0.229 0.000 1.097 249 F CA 1.482 59.693 58.000 0.352 0.000 1.264 249 F CB -0.976 38.192 39.000 0.281 0.000 1.001 249 F HN -0.047 nan 8.300 nan 0.000 0.479 250 A N -0.016 122.667 122.820 -0.228 0.000 1.898 250 A HA -0.153 4.111 4.320 -0.095 0.000 0.216 250 A C 2.304 179.739 177.584 -0.248 0.000 1.181 250 A CA 1.610 53.420 52.037 -0.378 0.000 0.620 250 A CB -1.682 17.238 19.000 -0.132 0.000 0.819 250 A HN 0.625 nan 8.150 nan 0.000 0.442 251 C N -2.791 116.406 119.300 -0.172 0.000 2.432 251 C HA -0.162 4.241 4.460 -0.095 0.000 0.277 251 C C 2.375 177.105 174.990 -0.432 0.000 1.249 251 C CA 0.770 59.615 59.018 -0.287 0.000 1.725 251 C CB -1.734 25.831 27.740 -0.291 0.000 2.028 251 C HN 0.840 nan 8.230 nan 0.000 0.477 252 W N -0.010 121.057 121.300 -0.388 0.000 2.770 252 W HA 0.165 4.771 4.660 -0.089 0.000 0.256 252 W C 2.206 178.350 176.519 -0.626 0.000 1.291 252 W CA -0.160 56.836 57.345 -0.581 0.000 1.396 252 W CB -0.447 28.595 29.460 -0.696 0.000 1.114 252 W HN 0.181 nan 8.180 nan 0.000 0.637 253 L N 2.263 123.400 121.223 -0.142 0.000 2.012 253 L HA -0.164 4.119 4.340 -0.095 0.000 0.210 253 L C -0.298 176.566 176.870 -0.010 0.000 1.073 253 L CA 2.139 56.956 54.840 -0.039 0.000 0.748 253 L CB -1.644 40.252 42.059 -0.272 0.000 0.891 253 L HN -0.233 nan 8.230 nan 0.000 0.431 254 P HA -0.248 nan 4.420 nan 0.000 0.218 254 P C 1.412 178.735 177.300 0.039 0.000 1.149 254 P CA 1.546 64.633 63.100 -0.021 0.000 0.817 254 P CB -0.316 31.360 31.700 -0.041 0.000 0.785 255 Y N 0.170 120.408 120.300 -0.104 0.000 2.200 255 Y HA -0.226 4.266 4.550 -0.096 0.000 0.290 255 Y C 2.324 178.277 175.900 0.088 0.000 1.137 255 Y CA 1.600 59.675 58.100 -0.042 0.000 1.163 255 Y CB -1.033 37.374 38.460 -0.087 0.000 0.988 255 Y HN -0.208 nan 8.280 nan 0.000 0.518 256 Y N -0.266 120.135 120.300 0.167 0.000 2.242 256 Y HA -0.188 4.307 4.550 -0.092 0.000 0.291 256 Y C 2.423 178.330 175.900 0.013 0.000 1.137 256 Y CA 1.158 59.300 58.100 0.071 0.000 1.181 256 Y CB -1.014 37.528 38.460 0.137 0.000 0.989 256 Y HN 0.142 nan 8.280 nan 0.000 0.527 257 I N -0.501 120.165 120.570 0.160 0.000 2.226 257 I HA -0.235 3.879 4.170 -0.095 0.000 0.245 257 I C 2.609 178.747 176.117 0.035 0.000 1.100 257 I CA 1.520 62.867 61.300 0.078 0.000 1.374 257 I CB -0.781 37.236 38.000 0.028 0.000 1.057 257 I HN 0.250 nan 8.210 nan 0.000 0.413 258 G N 1.039 109.836 108.800 -0.006 0.000 2.434 258 G HA2 -0.175 3.728 3.960 -0.095 0.000 0.214 258 G HA3 -0.175 3.728 3.960 -0.095 0.000 0.214 258 G C 1.592 176.465 174.900 -0.046 0.000 1.202 258 G CA 0.291 45.371 45.100 -0.032 0.000 0.788 258 G HN 0.150 nan 8.290 nan 0.000 0.539 259 I N 2.534 123.008 120.570 -0.160 0.000 2.248 259 I HA -0.224 3.889 4.170 -0.095 0.000 0.248 259 I C 3.186 179.317 176.117 0.024 0.000 1.107 259 I CA 1.982 63.199 61.300 -0.138 0.000 1.373 259 I CB -0.998 36.822 38.000 -0.300 0.000 1.055 259 I HN 0.359 nan 8.210 nan 0.000 0.418 260 S N 1.002 116.760 115.700 0.096 0.000 2.356 260 S HA -0.149 4.264 4.470 -0.095 0.000 0.223 260 S C 2.092 176.927 174.600 0.393 0.000 1.032 260 S CA 1.000 59.330 58.200 0.217 0.000 1.005 260 S CB -0.958 62.409 63.200 0.279 0.000 0.867 260 S HN 0.427 nan 8.310 nan 0.000 0.449 261 I N 2.726 123.470 120.570 0.290 0.000 2.208 261 I HA -0.203 3.910 4.170 -0.095 0.000 0.245 261 I C 2.613 178.885 176.117 0.259 0.000 1.097 261 I CA 1.940 63.406 61.300 0.277 0.000 1.363 261 I CB -0.575 37.507 38.000 0.136 0.000 1.051 261 I HN 0.372 nan 8.210 nan 0.000 0.413 262 D N -0.004 120.491 120.400 0.158 0.000 2.144 262 D HA -0.200 4.383 4.640 -0.095 0.000 0.200 262 D C 2.228 178.602 176.300 0.125 0.000 0.978 262 D CA 1.400 55.475 54.000 0.126 0.000 0.833 262 D CB 0.065 40.905 40.800 0.067 0.000 0.961 262 D HN 0.077 nan 8.370 nan 0.000 0.470 263 S N -1.782 113.980 115.700 0.103 0.000 2.428 263 S HA -0.023 4.390 4.470 -0.095 0.000 0.230 263 S C 1.558 176.153 174.600 -0.009 0.000 1.014 263 S CA 0.362 58.577 58.200 0.026 0.000 0.957 263 S CB -0.439 62.740 63.200 -0.036 0.000 0.784 263 S HN 0.288 nan 8.310 nan 0.000 0.499 264 F N 1.027 121.014 119.950 0.061 0.000 2.146 264 F HA 0.104 4.574 4.527 -0.095 0.000 0.298 264 F C 1.950 177.793 175.800 0.071 0.000 1.096 264 F CA 0.911 58.948 58.000 0.062 0.000 1.275 264 F CB -0.234 38.805 39.000 0.065 0.000 1.008 264 F HN 0.209 nan 8.300 nan 0.000 0.480 265 I N -0.814 119.915 120.570 0.264 0.000 2.439 265 I HA -0.214 3.899 4.170 -0.095 0.000 0.251 265 I C 2.074 178.271 176.117 0.132 0.000 1.139 265 I CA 0.652 62.070 61.300 0.197 0.000 1.438 265 I CB -0.073 38.059 38.000 0.219 0.000 1.085 265 I HN 0.014 nan 8.210 nan 0.000 0.427 266 L N 0.347 121.634 121.223 0.106 0.000 2.093 266 L HA -0.131 4.152 4.340 -0.095 0.000 0.208 266 L C 2.141 179.039 176.870 0.047 0.000 1.085 266 L CA 1.852 56.734 54.840 0.071 0.000 0.755 266 L CB -0.900 41.194 42.059 0.058 0.000 0.904 266 L HN 0.318 nan 8.230 nan 0.000 0.435 267 L N -0.755 120.487 121.223 0.032 0.000 2.599 267 L HA -0.004 4.279 4.340 -0.095 0.000 0.230 267 L C 0.211 177.104 176.870 0.040 0.000 1.141 267 L CA 0.052 54.899 54.840 0.012 0.000 0.877 267 L CB -0.145 41.889 42.059 -0.041 0.000 1.009 267 L HN 0.293 nan 8.230 nan 0.000 0.447 268 E N -0.474 119.767 120.200 0.068 0.000 2.264 268 E HA -0.231 4.062 4.350 -0.095 0.000 0.223 268 E C 0.595 177.247 176.600 0.087 0.000 1.220 268 E CA 0.087 56.531 56.400 0.074 0.000 0.692 268 E CB -1.498 28.233 29.700 0.052 0.000 1.203 268 E HN 0.483 nan 8.360 nan 0.000 0.384 269 I N -0.397 120.253 120.570 0.135 0.000 3.172 269 I HA 0.148 4.261 4.170 -0.095 0.000 0.278 269 I C 0.992 177.178 176.117 0.114 0.000 1.174 269 I CA 0.486 61.885 61.300 0.165 0.000 1.445 269 I CB 0.368 38.564 38.000 0.327 0.000 1.175 269 I HN 0.122 nan 8.210 nan 0.000 0.447 270 I N -0.362 120.278 120.570 0.116 0.000 2.846 270 I HA 0.478 4.591 4.170 -0.095 0.000 0.307 270 I C -0.655 175.490 176.117 0.047 0.000 1.053 270 I CA -0.747 60.575 61.300 0.038 0.000 1.050 270 I CB 1.841 39.843 38.000 0.003 0.000 1.239 270 I HN -0.188 nan 8.210 nan 0.000 0.439 275 E N 0.174 120.458 120.200 0.140 0.000 2.072 275 E HA -0.148 4.146 4.350 -0.095 0.000 0.191 275 E C 1.581 178.285 176.600 0.173 0.000 0.985 275 E CA 1.409 57.888 56.400 0.131 0.000 0.801 275 E CB -0.382 29.387 29.700 0.114 0.000 0.750 275 E HN 0.715 nan 8.360 nan 0.000 0.452 276 F N 1.943 121.934 119.950 0.068 0.000 2.259 276 F HA -0.085 4.385 4.527 -0.095 0.000 0.298 276 F C 2.304 178.166 175.800 0.104 0.000 1.088 276 F CA 1.303 59.351 58.000 0.080 0.000 1.358 276 F CB 0.057 39.093 39.000 0.059 0.000 1.040 276 F HN 0.031 nan 8.300 nan 0.000 0.505 277 E N 0.092 120.419 120.200 0.212 0.000 2.031 277 E HA -0.276 4.017 4.350 -0.095 0.000 0.193 277 E C 1.796 178.460 176.600 0.105 0.000 0.994 277 E CA 1.491 57.983 56.400 0.154 0.000 0.800 277 E CB -0.356 29.442 29.700 0.164 0.000 0.752 277 E HN 0.336 nan 8.360 nan 0.000 0.447 278 N N -0.445 118.311 118.700 0.093 0.000 2.331 278 N HA -0.078 4.605 4.740 -0.095 0.000 0.180 278 N C 1.596 177.158 175.510 0.088 0.000 1.019 278 N CA 1.257 54.353 53.050 0.076 0.000 0.881 278 N CB -0.160 38.353 38.487 0.044 0.000 0.972 278 N HN 0.032 nan 8.380 nan 0.000 0.435 279 T N -1.117 113.467 114.554 0.051 0.000 2.951 279 T HA 0.037 4.330 4.350 -0.095 0.000 0.268 279 T C 1.690 176.459 174.700 0.115 0.000 1.073 279 T CA 0.568 62.700 62.100 0.055 0.000 1.134 279 T CB -0.128 68.766 68.868 0.043 0.000 0.884 279 T HN -0.055 nan 8.240 nan 0.000 0.479 280 V N 0.333 120.246 119.914 -0.001 0.000 2.379 280 V HA -0.081 3.982 4.120 -0.095 0.000 0.245 280 V C 2.120 178.310 176.094 0.161 0.000 1.044 280 V CA 2.085 64.394 62.300 0.014 0.000 1.036 280 V CB -0.568 31.142 31.823 -0.187 0.000 0.664 280 V HN 0.634 nan 8.190 nan 0.000 0.453 281 H N 0.388 119.497 119.070 0.065 0.000 2.387 281 H HA -0.206 4.294 4.556 -0.094 0.000 0.299 281 H C 2.407 177.791 175.328 0.093 0.000 1.099 281 H CA 2.132 58.230 56.048 0.084 0.000 1.315 281 H CB 0.077 29.884 29.762 0.074 0.000 1.380 281 H HN 0.223 nan 8.280 nan 0.000 0.513 282 K N 0.259 120.803 120.400 0.239 0.000 2.009 282 K HA -0.203 4.060 4.320 -0.095 0.000 0.210 282 K C 1.871 178.470 176.600 -0.001 0.000 1.049 282 K CA 1.918 58.257 56.287 0.085 0.000 0.929 282 K CB -0.567 31.908 32.500 -0.042 0.000 0.714 282 K HN 0.438 nan 8.250 nan 0.000 0.440 283 W N 0.962 122.293 121.300 0.052 0.000 2.363 283 W HA -0.066 4.537 4.660 -0.095 0.000 0.296 283 W C 2.182 178.718 176.519 0.029 0.000 1.212 283 W CA 0.449 57.811 57.345 0.028 0.000 1.260 283 W CB -0.297 29.154 29.460 -0.014 0.000 1.131 283 W HN 0.069 nan 8.180 nan 0.000 0.530 284 I N -0.333 120.363 120.570 0.209 0.000 2.226 284 I HA -0.339 3.774 4.170 -0.095 0.000 0.245 284 I C 2.459 178.674 176.117 0.164 0.000 1.100 284 I CA 1.493 62.876 61.300 0.138 0.000 1.374 284 I CB -0.621 37.377 38.000 -0.004 0.000 1.057 284 I HN -0.186 nan 8.210 nan 0.000 0.413 285 S N 0.528 116.293 115.700 0.109 0.000 2.356 285 S HA -0.160 4.253 4.470 -0.095 0.000 0.223 285 S C 2.026 176.660 174.600 0.056 0.000 1.032 285 S CA 1.825 60.094 58.200 0.115 0.000 1.005 285 S CB -0.452 62.832 63.200 0.140 0.000 0.867 285 S HN 0.586 nan 8.310 nan 0.000 0.449 286 I N 0.903 121.496 120.570 0.038 0.000 2.353 286 I HA -0.073 4.040 4.170 -0.095 0.000 0.248 286 I C 2.348 178.446 176.117 -0.032 0.000 1.119 286 I CA 1.639 62.933 61.300 -0.009 0.000 1.417 286 I CB -1.202 36.816 38.000 0.030 0.000 1.078 286 I HN 0.259 nan 8.210 nan 0.000 0.421 287 T N -1.815 112.774 114.554 0.058 0.000 2.867 287 T HA -0.135 4.158 4.350 -0.095 0.000 0.268 287 T C 1.815 176.408 174.700 -0.178 0.000 1.057 287 T CA 1.359 63.471 62.100 0.019 0.000 1.136 287 T CB -0.564 68.394 68.868 0.150 0.000 0.874 287 T HN 0.589 nan 8.240 nan 0.000 0.466 288 E N 1.349 121.439 120.200 -0.183 0.000 2.106 288 E HA -0.038 4.256 4.350 -0.095 0.000 0.192 288 E C 2.357 178.272 176.600 -1.142 0.000 0.984 288 E CA 0.971 56.978 56.400 -0.655 0.000 0.806 288 E CB -0.284 29.227 29.700 -0.315 0.000 0.750 288 E HN 0.663 nan 8.360 nan 0.000 0.458 289 A N 0.591 122.978 122.820 -0.721 0.000 1.970 289 A HA -0.014 4.250 4.320 -0.095 0.000 0.216 289 A C 2.097 179.431 177.584 -0.416 0.000 1.170 289 A CA 0.427 52.076 52.037 -0.646 0.000 0.645 289 A CB -0.308 18.456 19.000 -0.393 0.000 0.816 289 A HN 0.236 nan 8.150 nan 0.000 0.447 290 L N -0.763 120.264 121.223 -0.326 0.000 2.217 290 L HA -0.080 4.203 4.340 -0.095 0.000 0.211 290 L C 2.886 179.603 176.870 -0.255 0.000 1.107 290 L CA 0.836 55.564 54.840 -0.187 0.000 0.783 290 L CB -0.249 41.727 42.059 -0.139 0.000 0.919 290 L HN 0.407 nan 8.230 nan 0.000 0.442 291 A N -0.632 121.854 122.820 -0.557 0.000 2.014 291 A HA -0.145 4.118 4.320 -0.095 0.000 0.218 291 A C 1.859 179.088 177.584 -0.591 0.000 1.163 291 A CA 0.884 52.384 52.037 -0.894 0.000 0.652 291 A CB -0.562 17.419 19.000 -1.698 0.000 0.808 291 A HN 0.307 nan 8.150 nan 0.000 0.449 292 F N -1.336 118.380 119.950 -0.389 0.000 2.408 292 F HA -0.044 4.425 4.527 -0.096 0.000 0.300 292 F C 1.636 177.306 175.800 -0.216 0.000 1.090 292 F CA -0.263 57.616 58.000 -0.201 0.000 1.427 292 F CB -1.200 37.708 39.000 -0.152 0.000 1.070 292 F HN 0.330 nan 8.300 nan 0.000 0.549 293 F N 0.784 120.686 119.950 -0.079 0.000 2.373 293 F HA -0.229 4.240 4.527 -0.096 0.000 0.300 293 F C 2.926 178.694 175.800 -0.052 0.000 1.080 293 F CA 1.406 59.359 58.000 -0.079 0.000 1.417 293 F CB -0.545 38.402 39.000 -0.088 0.000 1.070 293 F HN 0.235 nan 8.300 nan 0.000 0.546 294 H N -2.517 116.623 119.070 0.116 0.000 2.489 294 H HA -0.170 4.330 4.556 -0.093 0.000 0.295 294 H C 2.098 177.565 175.328 0.233 0.000 1.082 294 H CA 1.533 57.677 56.048 0.159 0.000 1.295 294 H CB -1.249 28.529 29.762 0.027 0.000 1.380 294 H HN 0.342 nan 8.280 nan 0.000 0.548 295 C N 1.610 120.672 119.300 -0.397 0.000 2.462 295 C HA -0.078 4.325 4.460 -0.095 0.000 0.278 295 C C 2.475 177.439 174.990 -0.043 0.000 1.253 295 C CA 0.780 59.675 59.018 -0.205 0.000 1.713 295 C CB -0.831 26.772 27.740 -0.229 0.000 2.049 295 C HN 0.877 nan 8.230 nan 0.000 0.477 296 C N 0.450 119.686 119.300 -0.107 0.000 2.687 296 C HA 0.609 5.013 4.460 -0.095 0.000 0.465 296 C C 0.993 176.024 174.990 0.068 0.000 1.304 296 C CA -0.271 58.702 59.018 -0.075 0.000 1.620 296 C CB -2.175 25.415 27.740 -0.250 0.000 2.212 296 C HN 0.626 nan 8.230 nan 0.000 0.616 297 L N 0.485 121.798 121.223 0.150 0.000 2.815 297 L HA 0.322 4.605 4.340 -0.095 0.000 0.241 297 L C 2.117 179.112 176.870 0.209 0.000 1.047 297 L CA 0.910 55.876 54.840 0.210 0.000 0.939 297 L CB -0.362 41.856 42.059 0.264 0.000 1.490 297 L HN 0.360 nan 8.230 nan 0.000 0.510 298 N N 0.743 119.581 118.700 0.229 0.000 2.084 298 N HA -0.105 4.578 4.740 -0.095 0.000 0.190 298 N C -1.021 174.686 175.510 0.330 0.000 1.030 298 N CA 2.324 55.525 53.050 0.252 0.000 0.849 298 N CB -0.982 37.666 38.487 0.269 0.000 1.012 298 N HN 0.221 nan 8.380 nan 0.000 0.423 299 P HA 0.046 nan 4.420 nan 0.000 0.219 299 P C 1.763 179.257 177.300 0.323 0.000 1.150 299 P CA 1.586 64.873 63.100 0.311 0.000 0.814 299 P CB -0.281 31.497 31.700 0.129 0.000 0.787 300 I N -0.856 119.845 120.570 0.219 0.000 2.361 300 I HA -0.153 3.960 4.170 -0.095 0.000 0.251 300 I C 2.287 178.500 176.117 0.160 0.000 1.133 300 I CA 1.522 62.927 61.300 0.175 0.000 1.413 300 I CB -2.044 36.054 38.000 0.162 0.000 1.073 300 I HN -0.082 nan 8.210 nan 0.000 0.424 301 L N -1.065 120.234 121.223 0.126 0.000 2.261 301 L HA -0.177 4.106 4.340 -0.095 0.000 0.216 301 L C 1.357 178.150 176.870 -0.128 0.000 1.114 301 L CA 0.983 55.807 54.840 -0.028 0.000 0.777 301 L CB -0.620 41.406 42.059 -0.054 0.000 0.910 301 L HN 0.636 nan 8.230 nan 0.000 0.440 302 Y N 0.217 120.564 120.300 0.079 0.000 2.971 302 Y HA 0.317 4.811 4.550 -0.094 0.000 0.384 302 Y C 0.732 176.666 175.900 0.057 0.000 1.166 302 Y CA -0.379 57.762 58.100 0.068 0.000 1.973 302 Y CB -0.554 37.947 38.460 0.068 0.000 2.082 302 Y HN 0.041 nan 8.280 nan 0.000 0.420 1003 I N 0.524 121.037 120.570 -0.095 0.000 2.394 1003 I HA -0.111 4.002 4.170 -0.095 0.000 0.251 1003 I C 1.871 177.987 176.117 -0.002 0.000 1.136 1003 I CA 1.093 62.425 61.300 0.053 0.000 1.425 1003 I CB 0.034 38.146 38.000 0.186 0.000 1.079 1003 I HN 0.107 nan 8.210 nan 0.000 0.425 1004 F N 1.607 121.403 119.950 -0.256 0.000 2.084 1004 F HA -0.224 4.248 4.527 -0.093 0.000 0.296 1004 F C 2.470 177.872 175.800 -0.663 0.000 1.111 1004 F CA 1.671 59.272 58.000 -0.666 0.000 1.224 1004 F CB -0.264 38.329 39.000 -0.678 0.000 0.991 1004 F HN -0.004 nan 8.300 nan 0.000 0.471 1005 E N 0.206 120.109 120.200 -0.494 0.000 2.160 1005 E HA -0.263 4.030 4.350 -0.095 0.000 0.195 1005 E C 2.283 178.539 176.600 -0.573 0.000 0.991 1005 E CA 1.369 57.472 56.400 -0.495 0.000 0.810 1005 E CB -0.525 28.937 29.700 -0.397 0.000 0.742 1005 E HN 0.518 nan 8.360 nan 0.000 0.466 1006 M N -0.067 119.177 119.600 -0.594 0.000 2.123 1006 M HA -0.141 4.282 4.480 -0.095 0.000 0.263 1006 M C 1.941 177.994 176.300 -0.412 0.000 1.069 1006 M CA 1.173 56.106 55.300 -0.613 0.000 1.133 1006 M CB 0.015 32.452 32.600 -0.272 0.000 1.356 1006 M HN 0.062 nan 8.290 nan 0.000 0.415 1007 L N -0.117 120.870 121.223 -0.393 0.000 2.395 1007 L HA -0.058 4.225 4.340 -0.095 0.000 0.218 1007 L C 2.500 179.098 176.870 -0.454 0.000 1.130 1007 L CA 0.948 55.568 54.840 -0.365 0.000 0.826 1007 L CB -0.573 41.261 42.059 -0.375 0.000 0.941 1007 L HN 0.301 nan 8.230 nan 0.000 0.451 1008 R N 0.085 120.213 120.500 -0.622 0.000 2.090 1008 R HA -0.090 4.193 4.340 -0.095 0.000 0.228 1008 R C 2.206 178.321 176.300 -0.309 0.000 1.110 1008 R CA 1.336 57.096 56.100 -0.565 0.000 0.973 1008 R CB -0.162 29.715 30.300 -0.706 0.000 0.869 1008 R HN 0.279 nan 8.270 nan 0.000 0.440 1009 I N 0.832 121.252 120.570 -0.249 0.000 2.315 1009 I HA -0.240 3.874 4.170 -0.095 0.000 0.248 1009 I C 1.380 177.477 176.117 -0.034 0.000 1.117 1009 I CA 1.190 62.431 61.300 -0.097 0.000 1.404 1009 I CB -0.172 37.822 38.000 -0.010 0.000 1.071 1009 I HN 0.211 nan 8.210 nan 0.000 0.419 1010 D N 0.232 120.611 120.400 -0.035 0.000 2.214 1010 D HA -0.131 4.452 4.640 -0.095 0.000 0.217 1010 D C 2.032 178.333 176.300 0.002 0.000 0.973 1010 D CA 1.082 55.097 54.000 0.024 0.000 0.880 1010 D CB -0.181 40.670 40.800 0.085 0.000 1.031 1010 D HN 0.224 nan 8.370 nan 0.000 0.468 1011 E N -0.062 120.117 120.200 -0.035 0.000 2.170 1011 E HA 0.218 4.511 4.350 -0.095 0.000 0.191 1011 E C 0.306 176.879 176.600 -0.045 0.000 0.981 1011 E CA 0.637 57.033 56.400 -0.006 0.000 0.830 1011 E CB 0.372 30.095 29.700 0.038 0.000 0.775 1011 E HN 0.289 nan 8.360 nan 0.000 0.470 1012 G N 0.486 109.216 108.800 -0.116 0.000 2.895 1012 G HA2 -0.221 3.682 3.960 -0.095 0.000 0.686 1012 G HA3 -0.221 3.682 3.960 -0.095 0.000 0.686 1012 G C -0.996 173.821 174.900 -0.138 0.000 1.108 1012 G CA -0.229 44.795 45.100 -0.127 0.000 0.761 1012 G HN 0.240 nan 8.290 nan 0.000 0.611 1013 L N 2.902 124.031 121.223 -0.155 0.000 2.280 1013 L HA 0.860 5.143 4.340 -0.095 0.000 0.287 1013 L C 0.780 177.621 176.870 -0.048 0.000 1.023 1013 L CA -0.962 53.808 54.840 -0.118 0.000 0.819 1013 L CB 0.508 42.470 42.059 -0.162 0.000 1.212 1013 L HN 0.706 nan 8.230 nan 0.000 0.420 1014 R N 5.130 125.637 120.500 0.013 0.000 2.388 1014 R HA 0.346 4.630 4.340 -0.095 0.000 0.314 1014 R C -0.265 176.122 176.300 0.144 0.000 0.959 1014 R CA -0.779 55.366 56.100 0.075 0.000 0.851 1014 R CB 0.922 31.272 30.300 0.083 0.000 1.168 1014 R HN 0.722 nan 8.270 nan 0.000 0.472 1015 L N 1.104 122.408 121.223 0.135 0.000 2.478 1015 L HA 0.087 4.370 4.340 -0.095 0.000 0.223 1015 L C 0.488 177.432 176.870 0.123 0.000 1.140 1015 L CA 1.089 55.999 54.840 0.116 0.000 0.842 1015 L CB -0.209 41.901 42.059 0.086 0.000 0.953 1015 L HN 0.525 nan 8.230 nan 0.000 0.452 1016 K N 0.149 120.656 120.400 0.180 0.000 2.281 1016 K HA 0.477 4.740 4.320 -0.095 0.000 0.242 1016 K C -0.386 176.277 176.600 0.105 0.000 0.971 1016 K CA -0.936 55.410 56.287 0.098 0.000 0.834 1016 K CB 2.524 35.042 32.500 0.031 0.000 1.181 1016 K HN -0.124 nan 8.250 nan 0.000 0.435 1017 I N 3.084 123.650 120.570 -0.006 0.000 2.581 1017 I HA -0.033 4.080 4.170 -0.095 0.000 0.285 1017 I C -0.395 175.677 176.117 -0.075 0.000 1.129 1017 I CA 0.650 61.972 61.300 0.036 0.000 1.397 1017 I CB -0.179 37.829 38.000 0.014 0.000 1.399 1017 I HN 0.424 nan 8.210 nan 0.000 0.537 1018 Y N 6.045 126.434 120.300 0.148 0.000 2.753 1018 Y HA 0.534 5.027 4.550 -0.095 0.000 0.324 1018 Y C 0.201 176.173 175.900 0.120 0.000 1.147 1018 Y CA -0.791 57.381 58.100 0.120 0.000 1.173 1018 Y CB 1.399 39.902 38.460 0.071 0.000 1.361 1018 Y HN 0.365 nan 8.280 nan 0.000 0.545 1024 Y N -0.412 119.839 120.300 -0.081 0.000 2.534 1024 Y HA 0.567 5.060 4.550 -0.095 0.000 0.329 1024 Y C 0.564 176.413 175.900 -0.085 0.000 1.154 1024 Y CA -1.507 56.516 58.100 -0.129 0.000 1.192 1024 Y CB 1.201 39.632 38.460 -0.048 0.000 1.275 1024 Y HN 0.356 nan 8.280 nan 0.000 0.491 1025 Y N 1.337 121.757 120.300 0.199 0.000 2.804 1025 Y HA 0.052 4.545 4.550 -0.095 0.000 0.338 1025 Y C 0.300 176.282 175.900 0.137 0.000 1.252 1025 Y CA 0.386 58.565 58.100 0.132 0.000 1.576 1025 Y CB -0.245 38.272 38.460 0.094 0.000 1.223 1025 Y HN 0.451 nan 8.280 nan 0.000 0.536 1026 T N 4.892 119.624 114.554 0.296 0.000 2.906 1026 T HA 0.672 4.965 4.350 -0.095 0.000 0.295 1026 T C -1.154 173.698 174.700 0.253 0.000 1.061 1026 T CA -0.720 61.526 62.100 0.244 0.000 1.000 1026 T CB 2.157 71.143 68.868 0.197 0.000 1.103 1026 T HN 0.410 nan 8.240 nan 0.000 0.486 1027 I N 0.563 121.285 120.570 0.254 0.000 2.894 1027 I HA 0.632 4.745 4.170 -0.095 0.000 0.302 1027 I C 0.717 176.968 176.117 0.222 0.000 1.188 1027 I CA 0.496 61.931 61.300 0.225 0.000 1.014 1027 I CB 1.540 39.654 38.000 0.190 0.000 1.242 1027 I HN 0.925 nan 8.210 nan 0.000 0.430 1028 G N 6.128 115.030 108.800 0.171 0.000 2.614 1028 G HA2 -0.255 3.648 3.960 -0.095 0.000 0.303 1028 G HA3 -0.255 3.648 3.960 -0.095 0.000 0.303 1028 G C 0.265 175.233 174.900 0.114 0.000 1.270 1028 G CA 0.242 45.427 45.100 0.142 0.000 0.988 1028 G HN 0.780 nan 8.290 nan 0.000 0.551 1029 I N 2.967 123.606 120.570 0.114 0.000 2.382 1029 I HA 0.314 4.427 4.170 -0.095 0.000 0.297 1029 I C 1.763 178.045 176.117 0.275 0.000 1.172 1029 I CA 1.279 62.607 61.300 0.048 0.000 1.825 1029 I CB -1.340 36.500 38.000 -0.268 0.000 1.509 1029 I HN 1.784 nan 8.210 nan 0.000 0.842 1030 G N 4.070 113.000 108.800 0.216 0.000 2.366 1030 G HA2 -0.320 3.583 3.960 -0.095 0.000 0.299 1030 G HA3 -0.320 3.583 3.960 -0.095 0.000 0.299 1030 G C 0.138 175.205 174.900 0.278 0.000 1.020 1030 G CA 0.240 45.484 45.100 0.240 0.000 1.026 1030 G HN 0.852 nan 8.290 nan 0.000 0.512 1031 H N -0.035 119.152 119.070 0.195 0.000 2.820 1031 H HA 0.501 5.000 4.556 -0.094 0.000 0.278 1031 H C 0.892 176.299 175.328 0.132 0.000 1.142 1031 H CA -1.081 55.064 56.048 0.162 0.000 1.346 1031 H CB 0.138 30.000 29.762 0.166 0.000 1.438 1031 H HN 0.371 nan 8.280 nan 0.000 0.473 1032 L N 4.955 126.059 121.223 -0.198 0.000 2.456 1032 L HA 0.126 4.410 4.340 -0.095 0.000 0.277 1032 L C 0.408 177.173 176.870 -0.175 0.000 1.124 1032 L CA 0.192 54.974 54.840 -0.096 0.000 0.880 1032 L CB -0.226 41.796 42.059 -0.061 0.000 1.192 1032 L HN 0.615 nan 8.230 nan 0.000 0.463 1033 L N 1.289 122.535 121.223 0.038 0.000 2.062 1033 L HA 0.228 4.511 4.340 -0.095 0.000 0.202 1033 L C 1.202 178.102 176.870 0.050 0.000 1.079 1033 L CA 1.176 56.069 54.840 0.090 0.000 0.755 1033 L CB -0.222 41.936 42.059 0.165 0.000 0.913 1033 L HN 0.840 nan 8.230 nan 0.000 0.445 1034 T N -2.090 112.516 114.554 0.087 0.000 2.932 1034 T HA 0.208 4.502 4.350 -0.095 0.000 0.318 1034 T C 0.035 174.754 174.700 0.031 0.000 1.265 1034 T CA -0.682 61.446 62.100 0.048 0.000 1.036 1034 T CB 1.666 70.572 68.868 0.062 0.000 1.209 1034 T HN -0.003 nan 8.240 nan 0.000 0.484 1035 K N 1.360 121.685 120.400 -0.125 0.000 2.426 1035 K HA 0.209 4.472 4.320 -0.095 0.000 0.193 1035 K C 0.394 176.928 176.600 -0.109 0.000 1.028 1035 K CA -0.003 56.079 56.287 -0.343 0.000 1.047 1035 K CB 0.183 32.364 32.500 -0.532 0.000 0.821 1035 K HN 0.510 nan 8.250 nan 0.000 0.513 1036 S N 2.847 118.553 115.700 0.010 0.000 2.537 1036 S HA 0.055 4.469 4.470 -0.095 0.000 0.286 1036 S C -2.239 172.459 174.600 0.162 0.000 1.299 1036 S CA -0.814 57.426 58.200 0.067 0.000 1.067 1036 S CB 0.775 64.013 63.200 0.062 0.000 0.864 1036 S HN 0.142 nan 8.310 nan 0.000 0.494 1037 P HA 0.301 nan 4.420 nan 0.000 0.214 1037 P C -0.847 176.577 177.300 0.206 0.000 1.826 1037 P CA -0.091 63.109 63.100 0.167 0.000 0.977 1037 P CB -0.063 31.692 31.700 0.092 0.000 1.930 1038 S N 0.925 116.797 115.700 0.287 0.000 2.649 1038 S HA 0.249 4.662 4.470 -0.095 0.000 0.274 1038 S C 0.437 175.022 174.600 -0.025 0.000 1.176 1038 S CA -0.510 57.776 58.200 0.143 0.000 0.988 1038 S CB 0.912 64.148 63.200 0.060 0.000 1.071 1038 S HN 0.083 nan 8.310 nan 0.000 0.478 1039 L N 5.081 126.200 121.223 -0.173 0.000 2.093 1039 L HA 0.106 4.389 4.340 -0.095 0.000 0.208 1039 L C 2.049 178.727 176.870 -0.320 0.000 1.085 1039 L CA 1.899 56.424 54.840 -0.526 0.000 0.755 1039 L CB -0.422 41.461 42.059 -0.294 0.000 0.904 1039 L HN 0.782 nan 8.230 nan 0.000 0.435 1040 N N -0.466 118.141 118.700 -0.155 0.000 2.309 1040 N HA -0.120 4.564 4.740 -0.095 0.000 0.182 1040 N C 1.680 177.138 175.510 -0.088 0.000 1.018 1040 N CA 1.082 54.071 53.050 -0.102 0.000 0.876 1040 N CB 0.165 38.618 38.487 -0.057 0.000 0.972 1040 N HN 0.519 nan 8.380 nan 0.000 0.434 1041 A N 0.576 123.347 122.820 -0.082 0.000 1.968 1041 A HA 0.114 4.377 4.320 -0.095 0.000 0.217 1041 A C 2.277 179.825 177.584 -0.059 0.000 1.169 1041 A CA 1.386 53.395 52.037 -0.047 0.000 0.638 1041 A CB -0.447 18.547 19.000 -0.011 0.000 0.812 1041 A HN 0.339 nan 8.150 nan 0.000 0.446 1042 A N -0.371 122.366 122.820 -0.138 0.000 1.968 1042 A HA -0.069 4.194 4.320 -0.095 0.000 0.217 1042 A C 2.119 179.648 177.584 -0.091 0.000 1.169 1042 A CA 1.634 53.591 52.037 -0.133 0.000 0.638 1042 A CB -0.323 18.461 19.000 -0.359 0.000 0.812 1042 A HN 0.441 nan 8.150 nan 0.000 0.446 1043 K N -0.211 120.123 120.400 -0.110 0.000 2.025 1043 K HA -0.105 4.158 4.320 -0.095 0.000 0.207 1043 K C 2.334 178.913 176.600 -0.035 0.000 1.049 1043 K CA 1.464 57.710 56.287 -0.068 0.000 0.933 1043 K CB -0.238 32.217 32.500 -0.075 0.000 0.714 1043 K HN 0.414 nan 8.250 nan 0.000 0.438 1044 S N 0.863 116.543 115.700 -0.033 0.000 2.382 1044 S HA -0.129 4.285 4.470 -0.095 0.000 0.228 1044 S C 1.758 176.357 174.600 -0.002 0.000 1.027 1044 S CA 1.182 59.372 58.200 -0.016 0.000 0.991 1044 S CB -0.127 63.063 63.200 -0.016 0.000 0.823 1044 S HN 0.293 nan 8.310 nan 0.000 0.469 1045 E N 0.350 120.553 120.200 0.005 0.000 2.208 1045 E HA -0.054 4.239 4.350 -0.095 0.000 0.193 1045 E C 1.945 178.572 176.600 0.045 0.000 0.988 1045 E CA 0.510 56.928 56.400 0.029 0.000 0.828 1045 E CB -0.246 29.478 29.700 0.040 0.000 0.763 1045 E HN 0.450 nan 8.360 nan 0.000 0.478 1046 L N 1.653 122.894 121.223 0.031 0.000 2.007 1046 L HA -0.131 4.153 4.340 -0.095 0.000 0.205 1046 L C 1.490 178.367 176.870 0.012 0.000 1.073 1046 L CA 1.867 56.725 54.840 0.030 0.000 0.744 1046 L CB -0.464 41.606 42.059 0.019 0.000 0.898 1046 L HN -0.095 nan 8.230 nan 0.000 0.435 1047 D N -0.340 120.062 120.400 0.003 0.000 2.182 1047 D HA -0.209 4.374 4.640 -0.095 0.000 0.201 1047 D C 2.095 178.397 176.300 0.002 0.000 0.986 1047 D CA 1.037 55.037 54.000 -0.001 0.000 0.847 1047 D CB -0.135 40.661 40.800 -0.006 0.000 0.942 1047 D HN 0.371 nan 8.370 nan 0.000 0.467 1048 K N 0.065 120.469 120.400 0.007 0.000 2.097 1048 K HA -0.005 4.258 4.320 -0.095 0.000 0.206 1048 K C 1.465 178.071 176.600 0.011 0.000 1.049 1048 K CA 1.149 57.441 56.287 0.009 0.000 0.933 1048 K CB 0.123 32.631 32.500 0.014 0.000 0.717 1048 K HN 0.058 nan 8.250 nan 0.000 0.442 1049 A N -0.414 122.415 122.820 0.014 0.000 2.470 1049 A HA 0.224 4.487 4.320 -0.095 0.000 0.251 1049 A C 1.281 178.859 177.584 -0.010 0.000 1.245 1049 A CA -0.205 51.837 52.037 0.009 0.000 0.932 1049 A CB 0.250 19.267 19.000 0.028 0.000 1.037 1049 A HN 0.238 nan 8.150 nan 0.000 0.522 1050 I N -3.071 117.494 120.570 -0.009 0.000 4.124 1050 I HA 0.363 4.477 4.170 -0.095 0.000 0.311 1050 I C 1.453 177.566 176.117 -0.007 0.000 1.259 1050 I CA 1.248 62.540 61.300 -0.013 0.000 1.315 1050 I CB 1.008 38.998 38.000 -0.016 0.000 1.223 1050 I HN 0.416 nan 8.210 nan 0.000 0.441 1051 G N 0.813 109.610 108.800 -0.004 0.000 2.163 1051 G HA2 -0.179 3.724 3.960 -0.095 0.000 0.207 1051 G HA3 -0.179 3.724 3.960 -0.095 0.000 0.207 1051 G C -0.292 174.606 174.900 -0.003 0.000 2.263 1051 G CA -0.306 44.792 45.100 -0.003 0.000 1.616 1051 G HN 0.211 nan 8.290 nan 0.000 0.521 1052 R N 1.339 121.837 120.500 -0.004 0.000 2.583 1052 R HA 0.602 4.886 4.340 -0.095 0.000 0.268 1052 R C -0.098 176.199 176.300 -0.005 0.000 1.101 1052 R CA -0.086 56.011 56.100 -0.004 0.000 1.180 1052 R CB -0.064 30.234 30.300 -0.003 0.000 1.128 1052 R HN 0.455 nan 8.270 nan 0.000 0.568 1053 N N 0.056 118.752 118.700 -0.006 0.000 3.050 1053 N HA -0.027 4.656 4.740 -0.095 0.000 0.289 1053 N C 0.394 175.898 175.510 -0.009 0.000 1.209 1053 N CA -0.015 53.030 53.050 -0.008 0.000 1.154 1053 N CB 0.624 39.105 38.487 -0.009 0.000 1.444 1053 N HN 0.713 nan 8.380 nan 0.000 0.529 1054 T N 0.816 115.366 114.554 -0.007 0.000 2.737 1054 T HA -0.291 4.002 4.350 -0.095 0.000 0.269 1054 T C 1.240 175.935 174.700 -0.009 0.000 1.040 1054 T CA 1.590 63.687 62.100 -0.005 0.000 1.142 1054 T CB -0.234 68.634 68.868 -0.001 0.000 0.861 1054 T HN 0.630 nan 8.240 nan 0.000 0.456 1055 N N 0.008 118.698 118.700 -0.016 0.000 2.818 1055 N HA -0.184 4.500 4.740 -0.095 0.000 0.250 1055 N C 0.772 176.263 175.510 -0.031 0.000 1.108 1055 N CA 1.454 54.489 53.050 -0.024 0.000 0.745 1055 N CB -1.628 36.846 38.487 -0.022 0.000 1.104 1055 N HN 1.116 nan 8.380 nan 0.000 0.557 1056 G N -2.205 106.579 108.800 -0.027 0.000 2.179 1056 G HA2 -0.160 3.743 3.960 -0.095 0.000 0.220 1056 G HA3 -0.160 3.743 3.960 -0.095 0.000 0.220 1056 G C -0.179 174.716 174.900 -0.009 0.000 0.990 1056 G CA 0.352 45.434 45.100 -0.030 0.000 0.646 1056 G HN 1.055 nan 8.290 nan 0.000 0.517 1057 V N 2.193 122.108 119.914 0.002 0.000 2.483 1057 V HA 0.808 4.871 4.120 -0.095 0.000 0.297 1057 V C 0.116 176.224 176.094 0.023 0.000 1.027 1057 V CA -0.361 61.949 62.300 0.017 0.000 0.855 1057 V CB 1.396 33.228 31.823 0.015 0.000 0.995 1057 V HN 0.890 nan 8.190 nan 0.000 0.424 1058 I N 3.795 124.388 120.570 0.038 0.000 3.170 1058 I HA 0.952 5.066 4.170 -0.095 0.000 0.312 1058 I C -0.078 176.065 176.117 0.042 0.000 1.085 1058 I CA -0.541 60.781 61.300 0.037 0.000 0.999 1058 I CB 2.597 40.622 38.000 0.042 0.000 1.233 1058 I HN 0.610 nan 8.210 nan 0.000 0.467 1059 T N -1.642 112.934 114.554 0.038 0.000 2.924 1059 T HA 0.363 4.657 4.350 -0.095 0.000 0.291 1059 T C 0.589 175.317 174.700 0.047 0.000 1.045 1059 T CA -0.861 61.261 62.100 0.038 0.000 1.015 1059 T CB 2.043 70.925 68.868 0.024 0.000 1.103 1059 T HN 0.839 nan 8.240 nan 0.000 0.496 1060 K N 0.495 120.926 120.400 0.052 0.000 2.077 1060 K HA -0.252 4.011 4.320 -0.095 0.000 0.213 1060 K C 1.256 177.870 176.600 0.023 0.000 1.051 1060 K CA 2.257 58.586 56.287 0.070 0.000 0.929 1060 K CB -0.292 32.246 32.500 0.063 0.000 0.715 1060 K HN 0.635 nan 8.250 nan 0.000 0.451 1061 D N 0.264 120.659 120.400 -0.008 0.000 2.117 1061 D HA -0.157 4.426 4.640 -0.095 0.000 0.198 1061 D C 1.800 178.077 176.300 -0.038 0.000 0.982 1061 D CA 1.607 55.580 54.000 -0.046 0.000 0.828 1061 D CB -0.032 40.747 40.800 -0.035 0.000 0.967 1061 D HN 0.569 nan 8.370 nan 0.000 0.464 1062 E N 0.782 120.979 120.200 -0.006 0.000 2.427 1062 E HA 0.085 4.378 4.350 -0.095 0.000 0.196 1062 E C 1.785 178.402 176.600 0.029 0.000 1.028 1062 E CA 0.764 57.167 56.400 0.005 0.000 0.864 1062 E CB -0.011 29.693 29.700 0.006 0.000 0.813 1062 E HN 0.109 nan 8.360 nan 0.000 0.514 1063 A N 1.441 124.294 122.820 0.055 0.000 1.968 1063 A HA -0.139 4.125 4.320 -0.095 0.000 0.217 1063 A C 2.073 179.768 177.584 0.185 0.000 1.169 1063 A CA 1.112 53.224 52.037 0.125 0.000 0.638 1063 A CB -0.340 18.760 19.000 0.167 0.000 0.812 1063 A HN 0.249 nan 8.150 nan 0.000 0.446 1064 E N -0.131 120.093 120.200 0.040 0.000 2.058 1064 E HA -0.242 4.052 4.350 -0.095 0.000 0.194 1064 E C 2.041 178.712 176.600 0.118 0.000 0.997 1064 E CA 1.517 57.868 56.400 -0.083 0.000 0.801 1064 E CB -0.151 29.338 29.700 -0.353 0.000 0.746 1064 E HN 0.637 nan 8.360 nan 0.000 0.450 1065 K N 0.861 121.298 120.400 0.062 0.000 2.009 1065 K HA -0.145 4.118 4.320 -0.095 0.000 0.210 1065 K C 2.340 178.993 176.600 0.089 0.000 1.049 1065 K CA 0.907 57.230 56.287 0.060 0.000 0.929 1065 K CB -0.216 32.298 32.500 0.022 0.000 0.714 1065 K HN 0.080 nan 8.250 nan 0.000 0.440 1066 L N 0.342 121.616 121.223 0.086 0.000 2.043 1066 L HA -0.226 4.057 4.340 -0.095 0.000 0.212 1066 L C 2.379 179.347 176.870 0.164 0.000 1.075 1066 L CA 1.518 56.383 54.840 0.042 0.000 0.752 1066 L CB -0.333 41.704 42.059 -0.035 0.000 0.891 1066 L HN 0.277 nan 8.230 nan 0.000 0.432 1067 F N 0.659 120.697 119.950 0.146 0.000 2.146 1067 F HA -0.198 4.271 4.527 -0.096 0.000 0.298 1067 F C 2.347 178.292 175.800 0.241 0.000 1.096 1067 F CA 1.513 59.663 58.000 0.251 0.000 1.275 1067 F CB -0.376 38.793 39.000 0.280 0.000 1.008 1067 F HN 0.115 nan 8.300 nan 0.000 0.480 1068 N N 0.527 119.288 118.700 0.101 0.000 2.289 1068 N HA -0.169 4.515 4.740 -0.095 0.000 0.184 1068 N C 1.772 177.264 175.510 -0.030 0.000 1.016 1068 N CA 1.290 54.327 53.050 -0.021 0.000 0.872 1068 N CB -0.340 38.191 38.487 0.074 0.000 0.973 1068 N HN 0.572 nan 8.380 nan 0.000 0.433 1069 Q N 0.471 120.282 119.800 0.018 0.000 2.083 1069 Q HA -0.084 4.199 4.340 -0.095 0.000 0.198 1069 Q C 0.877 176.885 176.000 0.014 0.000 0.969 1069 Q CA 0.906 56.720 55.803 0.019 0.000 0.838 1069 Q CB -0.050 28.706 28.738 0.030 0.000 0.900 1069 Q HN 0.387 nan 8.270 nan 0.000 0.436 1070 D N 0.356 120.783 120.400 0.044 0.000 2.178 1070 D HA -0.088 4.495 4.640 -0.095 0.000 0.202 1070 D C 2.032 178.320 176.300 -0.020 0.000 0.974 1070 D CA 0.610 54.617 54.000 0.011 0.000 0.841 1070 D CB -0.043 40.818 40.800 0.101 0.000 0.953 1070 D HN 0.024 nan 8.370 nan 0.000 0.478 1071 V N 1.682 121.603 119.914 0.011 0.000 2.307 1071 V HA -0.208 3.855 4.120 -0.095 0.000 0.245 1071 V C 1.801 177.891 176.094 -0.007 0.000 1.045 1071 V CA 1.768 64.081 62.300 0.022 0.000 1.024 1071 V CB -0.352 31.337 31.823 -0.223 0.000 0.651 1071 V HN 0.023 nan 8.190 nan 0.000 0.449 1072 D N 0.561 120.946 120.400 -0.026 0.000 2.144 1072 D HA -0.113 4.470 4.640 -0.095 0.000 0.199 1072 D C 2.174 178.451 176.300 -0.037 0.000 0.984 1072 D CA 1.582 55.570 54.000 -0.021 0.000 0.834 1072 D CB -0.418 40.376 40.800 -0.010 0.000 0.955 1072 D HN 0.437 nan 8.370 nan 0.000 0.465 1073 A N 0.779 123.572 122.820 -0.045 0.000 1.933 1073 A HA 0.013 4.276 4.320 -0.095 0.000 0.218 1073 A C 2.262 179.792 177.584 -0.089 0.000 1.175 1073 A CA 2.038 54.038 52.037 -0.062 0.000 0.628 1073 A CB -0.605 18.355 19.000 -0.066 0.000 0.814 1073 A HN 0.240 nan 8.150 nan 0.000 0.444 1074 A N -0.738 122.019 122.820 -0.105 0.000 1.897 1074 A HA 0.100 4.363 4.320 -0.095 0.000 0.215 1074 A C 2.212 179.719 177.584 -0.128 0.000 1.181 1074 A CA 1.482 53.449 52.037 -0.117 0.000 0.620 1074 A CB -0.850 18.093 19.000 -0.095 0.000 0.821 1074 A HN 0.319 nan 8.150 nan 0.000 0.443 1075 V N 0.302 120.136 119.914 -0.133 0.000 2.287 1075 V HA -0.281 3.782 4.120 -0.095 0.000 0.248 1075 V C 2.658 178.643 176.094 -0.181 0.000 1.053 1075 V CA 2.290 64.450 62.300 -0.233 0.000 1.027 1075 V CB -0.785 30.948 31.823 -0.149 0.000 0.646 1075 V HN 0.517 nan 8.190 nan 0.000 0.447 1076 R N -0.145 120.297 120.500 -0.098 0.000 2.127 1076 R HA -0.126 4.157 4.340 -0.095 0.000 0.238 1076 R C 2.385 178.643 176.300 -0.069 0.000 1.134 1076 R CA 1.427 57.488 56.100 -0.065 0.000 0.975 1076 R CB -0.726 29.549 30.300 -0.042 0.000 0.865 1076 R HN 0.617 nan 8.270 nan 0.000 0.447 1077 G N 0.947 109.696 108.800 -0.085 0.000 2.394 1077 G HA2 -0.189 3.714 3.960 -0.095 0.000 0.215 1077 G HA3 -0.189 3.714 3.960 -0.095 0.000 0.215 1077 G C 1.441 176.294 174.900 -0.079 0.000 1.165 1077 G CA 0.300 45.354 45.100 -0.076 0.000 0.784 1077 G HN 0.136 nan 8.290 nan 0.000 0.535 1078 I N 0.622 121.120 120.570 -0.121 0.000 2.179 1078 I HA -0.130 3.983 4.170 -0.095 0.000 0.242 1078 I C 2.400 178.470 176.117 -0.078 0.000 1.088 1078 I CA 0.786 62.010 61.300 -0.127 0.000 1.357 1078 I CB -0.158 37.678 38.000 -0.273 0.000 1.051 1078 I HN 0.079 nan 8.210 nan 0.000 0.409 1079 L N 0.269 121.441 121.223 -0.085 0.000 2.549 1079 L HA -0.147 4.137 4.340 -0.095 0.000 0.230 1079 L C 2.342 179.210 176.870 -0.004 0.000 1.162 1079 L CA 0.594 55.424 54.840 -0.017 0.000 0.834 1079 L CB -0.464 41.592 42.059 -0.004 0.000 0.947 1079 L HN 0.227 nan 8.230 nan 0.000 0.452 1080 R N -0.079 120.410 120.500 -0.019 0.000 2.221 1080 R HA 0.094 4.377 4.340 -0.095 0.000 0.195 1080 R C 0.948 177.243 176.300 -0.009 0.000 0.956 1080 R CA 0.134 56.227 56.100 -0.013 0.000 1.064 1080 R CB 0.022 30.309 30.300 -0.021 0.000 1.049 1080 R HN 0.123 nan 8.270 nan 0.000 0.534 1081 N N 0.739 119.432 118.700 -0.013 0.000 2.468 1081 N HA -0.014 4.669 4.740 -0.095 0.000 0.265 1081 N C 0.440 175.954 175.510 0.007 0.000 1.199 1081 N CA 0.653 53.699 53.050 -0.007 0.000 0.928 1081 N CB 1.524 40.005 38.487 -0.010 0.000 1.059 1081 N HN 0.373 nan 8.380 nan 0.000 0.467 1082 A N 4.733 127.557 122.820 0.006 0.000 1.972 1082 A HA -0.161 4.102 4.320 -0.095 0.000 0.219 1082 A C 1.993 179.589 177.584 0.020 0.000 1.169 1082 A CA 1.439 53.484 52.037 0.012 0.000 0.635 1082 A CB -0.005 18.999 19.000 0.006 0.000 0.810 1082 A HN 0.727 nan 8.150 nan 0.000 0.446 1083 K N -0.482 119.930 120.400 0.019 0.000 2.098 1083 K HA 0.216 4.479 4.320 -0.095 0.000 0.203 1083 K C 1.726 178.354 176.600 0.046 0.000 1.051 1083 K CA 0.856 57.160 56.287 0.028 0.000 0.957 1083 K CB -0.225 32.288 32.500 0.021 0.000 0.738 1083 K HN 0.444 nan 8.250 nan 0.000 0.447 1084 L N 0.797 122.048 121.223 0.048 0.000 2.131 1084 L HA -0.019 4.264 4.340 -0.095 0.000 0.206 1084 L C 2.416 179.348 176.870 0.102 0.000 1.087 1084 L CA 0.888 55.772 54.840 0.073 0.000 0.767 1084 L CB -0.376 41.712 42.059 0.050 0.000 0.917 1084 L HN 0.117 nan 8.230 nan 0.000 0.441 1085 K N 0.928 121.374 120.400 0.076 0.000 2.034 1085 K HA -0.195 4.068 4.320 -0.095 0.000 0.214 1085 K C -0.492 176.184 176.600 0.126 0.000 1.051 1085 K CA 2.080 58.426 56.287 0.098 0.000 0.931 1085 K CB -0.904 31.632 32.500 0.061 0.000 0.715 1085 K HN 0.190 nan 8.250 nan 0.000 0.446 1086 P HA -0.091 nan 4.420 nan 0.000 0.219 1086 P C 1.480 178.838 177.300 0.097 0.000 1.150 1086 P CA 1.027 64.177 63.100 0.083 0.000 0.814 1086 P CB 0.021 31.755 31.700 0.055 0.000 0.787 1087 V N -0.626 119.357 119.914 0.116 0.000 2.307 1087 V HA -0.243 3.820 4.120 -0.095 0.000 0.245 1087 V C 2.655 178.855 176.094 0.176 0.000 1.045 1087 V CA 1.725 64.103 62.300 0.130 0.000 1.024 1087 V CB -1.687 30.209 31.823 0.122 0.000 0.651 1087 V HN -0.026 nan 8.190 nan 0.000 0.449 1088 Y N 1.307 121.659 120.300 0.087 0.000 2.224 1088 Y HA -0.221 4.273 4.550 -0.095 0.000 0.289 1088 Y C 2.367 178.315 175.900 0.081 0.000 1.146 1088 Y CA 1.889 60.045 58.100 0.093 0.000 1.182 1088 Y CB -0.278 38.230 38.460 0.080 0.000 0.983 1088 Y HN 0.302 nan 8.280 nan 0.000 0.524 1089 D N -1.034 119.426 120.400 0.101 0.000 2.219 1089 D HA -0.153 4.430 4.640 -0.095 0.000 0.205 1089 D C 2.358 178.652 176.300 -0.011 0.000 0.970 1089 D CA 1.383 55.394 54.000 0.019 0.000 0.851 1089 D CB -0.162 40.686 40.800 0.080 0.000 0.943 1089 D HN 0.455 nan 8.370 nan 0.000 0.488 1090 S N -0.105 115.612 115.700 0.028 0.000 2.362 1090 S HA -0.040 4.374 4.470 -0.095 0.000 0.221 1090 S C 1.211 175.848 174.600 0.061 0.000 1.032 1090 S CA 0.006 58.235 58.200 0.048 0.000 0.973 1090 S CB -0.229 63.013 63.200 0.070 0.000 0.849 1090 S HN 0.073 nan 8.310 nan 0.000 0.465 1091 L N 2.419 123.677 121.223 0.058 0.000 2.479 1091 L HA 0.212 4.495 4.340 -0.095 0.000 0.270 1091 L C 0.370 177.215 176.870 -0.042 0.000 1.236 1091 L CA -0.180 54.701 54.840 0.068 0.000 0.823 1091 L CB 0.063 42.176 42.059 0.090 0.000 1.098 1091 L HN 0.543 nan 8.230 nan 0.000 0.500 1092 D N 0.107 120.486 120.400 -0.035 0.000 2.432 1092 D HA 0.407 4.991 4.640 -0.095 0.000 0.258 1092 D C 0.811 177.052 176.300 -0.098 0.000 1.146 1092 D CA -0.127 53.833 54.000 -0.067 0.000 1.015 1092 D CB 0.898 41.668 40.800 -0.049 0.000 1.107 1092 D HN 0.502 nan 8.370 nan 0.000 0.529 1093 A N 0.091 122.871 122.820 -0.067 0.000 1.869 1093 A HA -0.209 4.054 4.320 -0.095 0.000 0.218 1093 A C 2.148 179.726 177.584 -0.010 0.000 1.203 1093 A CA 2.221 54.249 52.037 -0.015 0.000 0.638 1093 A CB -1.352 17.672 19.000 0.039 0.000 0.831 1093 A HN 0.438 nan 8.150 nan 0.000 0.450 1094 V N -0.289 119.554 119.914 -0.117 0.000 2.307 1094 V HA -0.231 3.832 4.120 -0.095 0.000 0.245 1094 V C 2.564 178.431 176.094 -0.378 0.000 1.045 1094 V CA 2.175 64.249 62.300 -0.376 0.000 1.024 1094 V CB -0.873 30.507 31.823 -0.739 0.000 0.651 1094 V HN 0.507 nan 8.190 nan 0.000 0.449 1095 R N -0.432 119.894 120.500 -0.291 0.000 2.189 1095 R HA -0.032 4.251 4.340 -0.095 0.000 0.218 1095 R C 2.519 178.806 176.300 -0.022 0.000 1.074 1095 R CA 0.845 56.819 56.100 -0.209 0.000 0.991 1095 R CB -0.224 29.984 30.300 -0.152 0.000 0.883 1095 R HN 0.492 nan 8.270 nan 0.000 0.457 1096 R N 0.243 120.735 120.500 -0.013 0.000 2.062 1096 R HA -0.013 4.270 4.340 -0.095 0.000 0.229 1096 R C 2.304 178.722 176.300 0.197 0.000 1.128 1096 R CA 1.323 57.478 56.100 0.093 0.000 0.960 1096 R CB -0.269 29.980 30.300 -0.085 0.000 0.855 1096 R HN 0.149 nan 8.270 nan 0.000 0.432 1097 A N 1.081 123.966 122.820 0.108 0.000 1.972 1097 A HA -0.115 4.148 4.320 -0.095 0.000 0.219 1097 A C 2.287 179.896 177.584 0.041 0.000 1.169 1097 A CA 1.701 53.819 52.037 0.135 0.000 0.635 1097 A CB -0.516 18.631 19.000 0.245 0.000 0.810 1097 A HN 0.415 nan 8.150 nan 0.000 0.446 1098 A N -0.711 122.013 122.820 -0.161 0.000 1.930 1098 A HA 0.043 4.306 4.320 -0.095 0.000 0.217 1098 A C 2.151 179.624 177.584 -0.185 0.000 1.175 1098 A CA 1.420 53.214 52.037 -0.405 0.000 0.627 1098 A CB -0.478 17.822 19.000 -1.166 0.000 0.815 1098 A HN 0.534 nan 8.150 nan 0.000 0.443 1099 L N -0.577 120.711 121.223 0.108 0.000 2.109 1099 L HA -0.027 4.256 4.340 -0.095 0.000 0.207 1099 L C 2.236 179.247 176.870 0.234 0.000 1.086 1099 L CA 1.067 56.131 54.840 0.373 0.000 0.760 1099 L CB -0.188 42.154 42.059 0.470 0.000 0.910 1099 L HN 0.400 nan 8.230 nan 0.000 0.437 1100 I N -0.148 120.548 120.570 0.210 0.000 2.226 1100 I HA -0.317 3.797 4.170 -0.095 0.000 0.245 1100 I C 2.370 178.630 176.117 0.238 0.000 1.100 1100 I CA 1.311 62.734 61.300 0.205 0.000 1.374 1100 I CB -0.614 37.503 38.000 0.194 0.000 1.057 1100 I HN 0.422 nan 8.210 nan 0.000 0.413 1101 N N 1.366 120.161 118.700 0.158 0.000 2.094 1101 N HA -0.226 4.457 4.740 -0.095 0.000 0.191 1101 N C 1.937 177.557 175.510 0.183 0.000 1.023 1101 N CA 1.792 54.930 53.050 0.147 0.000 0.857 1101 N CB -0.071 38.483 38.487 0.112 0.000 1.013 1101 N HN 0.330 nan 8.380 nan 0.000 0.426 1102 M N 0.052 119.724 119.600 0.120 0.000 2.175 1102 M HA -0.098 4.326 4.480 -0.095 0.000 0.264 1102 M C 2.123 178.437 176.300 0.023 0.000 1.063 1102 M CA 0.924 56.211 55.300 -0.020 0.000 1.119 1102 M CB 0.064 32.610 32.600 -0.090 0.000 1.377 1102 M HN -0.032 nan 8.290 nan 0.000 0.415 1103 V N -0.841 119.135 119.914 0.102 0.000 2.515 1103 V HA -0.217 3.846 4.120 -0.095 0.000 0.250 1103 V C 1.878 178.013 176.094 0.068 0.000 1.058 1103 V CA 1.585 63.923 62.300 0.064 0.000 1.064 1103 V CB -0.813 31.037 31.823 0.046 0.000 0.675 1103 V HN 0.321 nan 8.190 nan 0.000 0.461 1104 F N -0.110 119.852 119.950 0.020 0.000 2.502 1104 F HA -0.090 4.381 4.527 -0.094 0.000 0.298 1104 F C 2.419 178.249 175.800 0.049 0.000 1.111 1104 F CA 1.662 59.690 58.000 0.046 0.000 1.445 1104 F CB 0.163 39.218 39.000 0.093 0.000 1.081 1104 F HN 0.169 nan 8.300 nan 0.000 0.558 1105 Q N -1.200 118.709 119.800 0.181 0.000 2.511 1105 Q HA 0.055 4.338 4.340 -0.095 0.000 0.236 1105 Q C 1.892 177.917 176.000 0.042 0.000 0.893 1105 Q CA 0.323 56.199 55.803 0.121 0.000 0.947 1105 Q CB 0.305 29.121 28.738 0.131 0.000 1.110 1105 Q HN 0.336 nan 8.270 nan 0.000 0.591 1106 M N -0.761 118.826 119.600 -0.022 0.000 2.556 1106 M HA 0.280 4.703 4.480 -0.095 0.000 0.259 1106 M C 0.406 176.689 176.300 -0.029 0.000 1.175 1106 M CA 1.174 56.451 55.300 -0.039 0.000 1.202 1106 M CB 1.455 34.006 32.600 -0.082 0.000 1.298 1106 M HN 0.285 nan 8.290 nan 0.000 0.492 1107 G N -0.409 108.371 108.800 -0.033 0.000 2.440 1107 G HA2 -0.136 3.768 3.960 -0.095 0.000 0.684 1107 G HA3 -0.136 3.768 3.960 -0.095 0.000 0.684 1107 G C -0.118 174.757 174.900 -0.041 0.000 1.309 1107 G CA -0.180 44.892 45.100 -0.047 0.000 0.931 1107 G HN 0.306 nan 8.290 nan 0.000 0.612 1108 E N -0.883 119.287 120.200 -0.049 0.000 2.086 1108 E HA -0.209 4.084 4.350 -0.095 0.000 0.200 1108 E C 2.522 179.101 176.600 -0.036 0.000 1.012 1108 E CA 2.547 58.923 56.400 -0.040 0.000 0.812 1108 E CB -0.111 29.559 29.700 -0.050 0.000 0.743 1108 E HN 0.572 nan 8.360 nan 0.000 0.453 1109 T N -0.702 113.824 114.554 -0.048 0.000 2.857 1109 T HA -0.071 4.222 4.350 -0.095 0.000 0.266 1109 T C 1.712 176.360 174.700 -0.087 0.000 1.048 1109 T CA 0.946 63.011 62.100 -0.059 0.000 1.139 1109 T CB -0.472 68.362 68.868 -0.056 0.000 0.874 1109 T HN 0.385 nan 8.240 nan 0.000 0.455 1110 G N 1.192 109.942 108.800 -0.083 0.000 2.442 1110 G HA2 -0.171 3.732 3.960 -0.095 0.000 0.219 1110 G HA3 -0.171 3.732 3.960 -0.095 0.000 0.219 1110 G C 1.630 176.456 174.900 -0.123 0.000 1.141 1110 G CA 1.039 46.069 45.100 -0.118 0.000 0.763 1110 G HN 0.460 nan 8.290 nan 0.000 0.554 1111 V N 1.264 121.176 119.914 -0.003 0.000 2.379 1111 V HA 0.046 4.109 4.120 -0.095 0.000 0.243 1111 V C 3.260 179.421 176.094 0.112 0.000 1.035 1111 V CA 1.563 63.950 62.300 0.145 0.000 1.035 1111 V CB -0.904 30.986 31.823 0.112 0.000 0.673 1111 V HN 0.425 nan 8.190 nan 0.000 0.457 1112 A N 0.996 123.827 122.820 0.018 0.000 2.032 1112 A HA -0.157 4.106 4.320 -0.095 0.000 0.221 1112 A C 2.326 179.887 177.584 -0.038 0.000 1.165 1112 A CA 1.980 54.019 52.037 0.003 0.000 0.645 1112 A CB -1.144 17.846 19.000 -0.016 0.000 0.807 1112 A HN 0.563 nan 8.150 nan 0.000 0.453 1113 G N -1.083 107.628 108.800 -0.148 0.000 2.422 1113 G HA2 -0.033 3.871 3.960 -0.095 0.000 0.218 1113 G HA3 -0.033 3.871 3.960 -0.095 0.000 0.218 1113 G C 0.520 175.289 174.900 -0.218 0.000 1.140 1113 G CA 0.295 45.250 45.100 -0.242 0.000 0.775 1113 G HN 0.423 nan 8.290 nan 0.000 0.545 1114 F N 2.658 122.606 119.950 -0.003 0.000 2.651 1114 F HA 0.206 4.676 4.527 -0.095 0.000 0.367 1114 F C 1.993 177.791 175.800 -0.004 0.000 1.225 1114 F CA -0.146 57.857 58.000 0.004 0.000 1.310 1114 F CB -0.858 38.145 39.000 0.006 0.000 1.724 1114 F HN -0.096 nan 8.300 nan 0.000 0.662 1115 T N -0.213 114.405 114.554 0.107 0.000 2.570 1115 T HA -0.281 4.012 4.350 -0.095 0.000 0.266 1115 T C 2.148 176.884 174.700 0.061 0.000 1.071 1115 T CA 1.849 63.986 62.100 0.062 0.000 1.172 1115 T CB -0.124 68.762 68.868 0.030 0.000 0.864 1115 T HN 0.427 nan 8.240 nan 0.000 0.421 1116 N N 0.985 119.723 118.700 0.064 0.000 2.058 1116 N HA -0.094 4.589 4.740 -0.095 0.000 0.191 1116 N C 2.306 177.832 175.510 0.026 0.000 1.037 1116 N CA 1.801 54.874 53.050 0.039 0.000 0.848 1116 N CB -0.471 38.039 38.487 0.039 0.000 1.021 1116 N HN 0.498 nan 8.380 nan 0.000 0.422 1117 S N 1.301 117.027 115.700 0.043 0.000 2.368 1117 S HA -0.056 4.357 4.470 -0.095 0.000 0.225 1117 S C 2.287 176.864 174.600 -0.039 0.000 1.030 1117 S CA 0.720 58.913 58.200 -0.013 0.000 0.999 1117 S CB -0.656 62.517 63.200 -0.044 0.000 0.844 1117 S HN 0.213 nan 8.310 nan 0.000 0.459 1118 L N 1.091 122.321 121.223 0.013 0.000 2.083 1118 L HA -0.029 4.255 4.340 -0.095 0.000 0.209 1118 L C 3.047 179.920 176.870 0.004 0.000 1.083 1118 L CA 1.344 56.191 54.840 0.012 0.000 0.752 1118 L CB -0.346 41.749 42.059 0.059 0.000 0.899 1118 L HN 0.301 nan 8.230 nan 0.000 0.433 1119 R N -0.050 120.452 120.500 0.002 0.000 2.075 1119 R HA -0.142 4.142 4.340 -0.095 0.000 0.232 1119 R C 2.281 178.556 176.300 -0.043 0.000 1.126 1119 R CA 1.370 57.462 56.100 -0.012 0.000 0.963 1119 R CB -0.108 30.188 30.300 -0.007 0.000 0.858 1119 R HN 0.277 nan 8.270 nan 0.000 0.435 1120 M N 0.285 119.854 119.600 -0.052 0.000 2.229 1120 M HA -0.115 4.309 4.480 -0.095 0.000 0.264 1120 M C 2.042 178.265 176.300 -0.128 0.000 1.063 1120 M CA 1.291 56.537 55.300 -0.090 0.000 1.114 1120 M CB 0.049 32.609 32.600 -0.066 0.000 1.387 1120 M HN 0.191 nan 8.290 nan 0.000 0.420 1121 L N -0.635 120.554 121.223 -0.056 0.000 2.109 1121 L HA -0.184 4.099 4.340 -0.095 0.000 0.207 1121 L C 2.600 179.485 176.870 0.025 0.000 1.086 1121 L CA 1.188 56.066 54.840 0.063 0.000 0.760 1121 L CB -0.567 41.510 42.059 0.031 0.000 0.910 1121 L HN 0.382 nan 8.230 nan 0.000 0.437 1122 Q N 0.129 119.924 119.800 -0.008 0.000 2.119 1122 Q HA -0.217 4.066 4.340 -0.095 0.000 0.201 1122 Q C 1.649 177.602 176.000 -0.078 0.000 0.972 1122 Q CA 1.326 57.125 55.803 -0.006 0.000 0.847 1122 Q CB 0.169 28.910 28.738 0.005 0.000 0.903 1122 Q HN 0.538 nan 8.270 nan 0.000 0.433 1123 Q N -0.458 119.256 119.800 -0.144 0.000 2.280 1123 Q HA 0.035 4.318 4.340 -0.095 0.000 0.202 1123 Q C -0.273 175.521 176.000 -0.344 0.000 0.903 1123 Q CA 0.011 55.704 55.803 -0.184 0.000 0.948 1123 Q CB 0.585 29.240 28.738 -0.137 0.000 1.058 1123 Q HN 0.164 nan 8.270 nan 0.000 0.493 1124 K N -0.473 119.570 120.400 -0.595 0.000 3.426 1124 K HA -0.188 4.075 4.320 -0.095 0.000 0.315 1124 K C -0.391 175.363 176.600 -1.409 0.000 1.293 1124 K CA 0.634 56.161 56.287 -1.266 0.000 0.955 1124 K CB -0.697 31.383 32.500 -0.700 0.000 1.238 1124 K HN 0.120 nan 8.250 nan 0.000 0.441 1125 R N 0.546 120.606 120.500 -0.733 0.000 3.206 1125 R HA -0.008 4.275 4.340 -0.095 0.000 0.209 1125 R C 0.516 176.659 176.300 -0.262 0.000 1.632 1125 R CA 0.277 56.125 56.100 -0.420 0.000 1.234 1125 R CB -0.625 29.543 30.300 -0.219 0.000 1.270 1125 R HN 0.350 nan 8.270 nan 0.000 0.665 1126 W N 1.090 122.385 121.300 -0.010 0.000 2.352 1126 W HA -0.189 4.415 4.660 -0.094 0.000 0.322 1126 W C 1.663 178.177 176.519 -0.008 0.000 1.208 1126 W CA 0.105 57.449 57.345 -0.002 0.000 1.286 1126 W CB -0.144 29.327 29.460 0.019 0.000 1.167 1126 W HN 0.343 nan 8.180 nan 0.000 0.469 1127 D N 0.301 120.825 120.400 0.207 0.000 2.149 1127 D HA -0.180 4.403 4.640 -0.095 0.000 0.198 1127 D C 1.833 178.165 176.300 0.053 0.000 0.990 1127 D CA 1.446 55.511 54.000 0.108 0.000 0.839 1127 D CB -0.507 40.337 40.800 0.073 0.000 0.948 1127 D HN 0.340 nan 8.370 nan 0.000 0.460 1128 E N 0.238 120.454 120.200 0.026 0.000 2.072 1128 E HA -0.106 4.187 4.350 -0.095 0.000 0.191 1128 E C 2.066 178.665 176.600 -0.002 0.000 0.985 1128 E CA 0.772 57.170 56.400 -0.004 0.000 0.801 1128 E CB 0.048 29.730 29.700 -0.029 0.000 0.750 1128 E HN 0.169 nan 8.360 nan 0.000 0.452 1129 A N 1.368 124.197 122.820 0.014 0.000 1.898 1129 A HA -0.089 4.175 4.320 -0.095 0.000 0.216 1129 A C 2.364 179.944 177.584 -0.007 0.000 1.181 1129 A CA 1.722 53.756 52.037 -0.006 0.000 0.620 1129 A CB -0.521 18.483 19.000 0.007 0.000 0.819 1129 A HN 0.296 nan 8.150 nan 0.000 0.442 1130 A N -0.677 122.169 122.820 0.043 0.000 1.902 1130 A HA 0.014 4.277 4.320 -0.095 0.000 0.217 1130 A C 2.236 179.804 177.584 -0.027 0.000 1.181 1130 A CA 1.756 53.817 52.037 0.041 0.000 0.623 1130 A CB -0.900 18.147 19.000 0.079 0.000 0.818 1130 A HN 0.366 nan 8.150 nan 0.000 0.443 1131 V N 0.480 120.375 119.914 -0.032 0.000 2.358 1131 V HA -0.248 3.815 4.120 -0.095 0.000 0.246 1131 V C 2.380 178.426 176.094 -0.080 0.000 1.047 1131 V CA 2.338 64.597 62.300 -0.069 0.000 1.035 1131 V CB -1.005 30.792 31.823 -0.043 0.000 0.658 1131 V HN 0.757 nan 8.190 nan 0.000 0.452 1132 N N -0.173 118.501 118.700 -0.044 0.000 2.142 1132 N HA -0.112 4.572 4.740 -0.095 0.000 0.186 1132 N C 1.722 177.218 175.510 -0.024 0.000 1.023 1132 N CA 1.221 54.257 53.050 -0.023 0.000 0.852 1132 N CB -0.176 38.309 38.487 -0.004 0.000 0.998 1132 N HN 0.395 nan 8.380 nan 0.000 0.424 1133 L N -0.253 120.941 121.223 -0.048 0.000 2.141 1133 L HA -0.034 4.249 4.340 -0.095 0.000 0.209 1133 L C 2.256 179.089 176.870 -0.062 0.000 1.094 1133 L CA 0.928 55.735 54.840 -0.055 0.000 0.763 1133 L CB -0.365 41.676 42.059 -0.030 0.000 0.908 1133 L HN 0.263 nan 8.230 nan 0.000 0.437 1134 A N -0.590 122.102 122.820 -0.213 0.000 1.969 1134 A HA -0.141 4.122 4.320 -0.095 0.000 0.218 1134 A C 1.536 178.860 177.584 -0.432 0.000 1.169 1134 A CA 1.009 52.674 52.037 -0.619 0.000 0.635 1134 A CB -0.203 18.353 19.000 -0.740 0.000 0.810 1134 A HN 0.224 nan 8.150 nan 0.000 0.445 1135 K N 1.466 121.762 120.400 -0.173 0.000 2.751 1135 K HA 0.195 4.458 4.320 -0.095 0.000 0.252 1135 K C -0.366 176.272 176.600 0.064 0.000 1.277 1135 K CA 0.274 56.530 56.287 -0.052 0.000 1.226 1135 K CB -0.195 32.286 32.500 -0.032 0.000 1.658 1135 K HN 0.586 nan 8.250 nan 0.000 0.303 1136 S N -1.023 114.754 115.700 0.128 0.000 2.671 1136 S HA 0.344 4.758 4.470 -0.095 0.000 0.277 1136 S C 0.632 175.400 174.600 0.281 0.000 1.165 1136 S CA -1.067 57.290 58.200 0.261 0.000 0.822 1136 S CB 1.362 64.804 63.200 0.404 0.000 1.150 1136 S HN 0.343 nan 8.310 nan 0.000 0.479 1137 R N -0.318 120.375 120.500 0.321 0.000 2.096 1137 R HA 0.073 4.356 4.340 -0.095 0.000 0.235 1137 R C 1.674 178.177 176.300 0.338 0.000 1.127 1137 R CA 1.394 57.659 56.100 0.275 0.000 0.968 1137 R CB -1.107 29.336 30.300 0.239 0.000 0.861 1137 R HN 0.716 nan 8.270 nan 0.000 0.440 1138 W N 0.667 122.105 121.300 0.230 0.000 2.418 1138 W HA -0.046 4.557 4.660 -0.095 0.000 0.292 1138 W C 1.799 178.414 176.519 0.161 0.000 1.213 1138 W CA 0.278 57.742 57.345 0.199 0.000 1.283 1138 W CB -0.573 29.038 29.460 0.252 0.000 1.119 1138 W HN 0.121 nan 8.180 nan 0.000 0.542 1139 Y N 2.242 122.483 120.300 -0.099 0.000 2.274 1139 Y HA -0.234 4.259 4.550 -0.095 0.000 0.290 1139 Y C 2.039 177.846 175.900 -0.156 0.000 1.145 1139 Y CA 2.520 60.457 58.100 -0.272 0.000 1.203 1139 Y CB -0.667 37.697 38.460 -0.161 0.000 0.984 1139 Y HN 0.274 nan 8.280 nan 0.000 0.533 1140 N N -1.780 116.946 118.700 0.043 0.000 2.299 1140 N HA -0.010 4.674 4.740 -0.095 0.000 0.187 1140 N C 1.461 176.961 175.510 -0.017 0.000 1.099 1140 N CA 0.350 53.398 53.050 -0.003 0.000 0.867 1140 N CB -0.121 38.413 38.487 0.077 0.000 0.974 1140 N HN 0.221 nan 8.380 nan 0.000 0.477 1141 Q N 0.592 120.403 119.800 0.019 0.000 2.061 1141 Q HA 0.084 4.367 4.340 -0.095 0.000 0.195 1141 Q C -0.144 175.855 176.000 -0.002 0.000 0.967 1141 Q CA 1.321 57.158 55.803 0.057 0.000 0.829 1141 Q CB 0.360 29.205 28.738 0.178 0.000 0.900 1141 Q HN 0.499 nan 8.270 nan 0.000 0.450 1142 T N -2.275 112.228 114.554 -0.085 0.000 3.141 1142 T HA 0.346 4.640 4.350 -0.095 0.000 0.377 1142 T C -2.338 172.161 174.700 -0.336 0.000 1.258 1142 T CA -1.741 60.277 62.100 -0.137 0.000 1.263 1142 T CB 1.332 70.194 68.868 -0.009 0.000 1.066 1142 T HN 0.021 nan 8.240 nan 0.000 0.546 1143 P HA -0.129 nan 4.420 nan 0.000 0.215 1143 P C 1.080 178.084 177.300 -0.492 0.000 1.157 1143 P CA 1.209 63.989 63.100 -0.534 0.000 0.868 1143 P CB 0.254 31.725 31.700 -0.381 0.000 0.788 1144 N N -0.433 118.090 118.700 -0.294 0.000 2.250 1144 N HA -0.073 4.610 4.740 -0.095 0.000 0.181 1144 N C 2.109 177.510 175.510 -0.181 0.000 1.017 1144 N CA 0.594 53.516 53.050 -0.214 0.000 0.866 1144 N CB -0.451 37.952 38.487 -0.140 0.000 0.985 1144 N HN 0.189 nan 8.380 nan 0.000 0.429 1145 R N 1.136 121.545 120.500 -0.152 0.000 2.075 1145 R HA 0.019 4.302 4.340 -0.095 0.000 0.232 1145 R C 2.075 178.296 176.300 -0.132 0.000 1.126 1145 R CA 1.314 57.383 56.100 -0.051 0.000 0.963 1145 R CB -0.108 30.232 30.300 0.067 0.000 0.858 1145 R HN 0.128 nan 8.270 nan 0.000 0.435 1146 A N 1.027 123.557 122.820 -0.483 0.000 1.898 1146 A HA -0.155 4.108 4.320 -0.095 0.000 0.216 1146 A C 2.045 179.402 177.584 -0.378 0.000 1.181 1146 A CA 1.395 52.883 52.037 -0.914 0.000 0.620 1146 A CB -0.409 17.714 19.000 -1.462 0.000 0.819 1146 A HN 0.325 nan 8.150 nan 0.000 0.442 1147 K N -0.515 119.710 120.400 -0.292 0.000 2.044 1147 K HA -0.177 4.086 4.320 -0.095 0.000 0.210 1147 K C 2.384 178.929 176.600 -0.093 0.000 1.049 1147 K CA 1.666 57.881 56.287 -0.119 0.000 0.927 1147 K CB -0.156 32.245 32.500 -0.165 0.000 0.713 1147 K HN 0.442 nan 8.250 nan 0.000 0.443 1148 R N -0.133 120.290 120.500 -0.129 0.000 2.066 1148 R HA -0.086 4.197 4.340 -0.095 0.000 0.232 1148 R C 2.317 178.571 176.300 -0.076 0.000 1.131 1148 R CA 1.362 57.365 56.100 -0.162 0.000 0.955 1148 R CB -0.374 29.798 30.300 -0.214 0.000 0.851 1148 R HN 0.041 nan 8.270 nan 0.000 0.432 1149 V N 1.357 121.285 119.914 0.023 0.000 2.295 1149 V HA -0.240 3.823 4.120 -0.095 0.000 0.246 1149 V C 2.256 178.414 176.094 0.106 0.000 1.049 1149 V CA 1.684 64.030 62.300 0.078 0.000 1.024 1149 V CB -0.396 31.625 31.823 0.329 0.000 0.648 1149 V HN 0.205 nan 8.190 nan 0.000 0.447 1150 I N -0.127 120.550 120.570 0.178 0.000 2.163 1150 I HA -0.270 3.843 4.170 -0.095 0.000 0.243 1150 I C 2.648 178.847 176.117 0.137 0.000 1.085 1150 I CA 2.186 63.625 61.300 0.232 0.000 1.347 1150 I CB -0.416 37.665 38.000 0.136 0.000 1.044 1150 I HN 0.269 nan 8.210 nan 0.000 0.408 1151 T N -0.991 113.581 114.554 0.031 0.000 2.962 1151 T HA -0.129 4.164 4.350 -0.095 0.000 0.270 1151 T C 1.819 176.475 174.700 -0.074 0.000 1.088 1151 T CA 1.835 63.922 62.100 -0.021 0.000 1.127 1151 T CB -0.155 68.684 68.868 -0.049 0.000 0.883 1151 T HN 0.364 nan 8.240 nan 0.000 0.493 1152 T N 0.955 115.440 114.554 -0.115 0.000 2.812 1152 T HA 0.055 4.348 4.350 -0.095 0.000 0.264 1152 T C 1.365 175.904 174.700 -0.267 0.000 1.042 1152 T CA 0.781 62.741 62.100 -0.234 0.000 1.140 1152 T CB -0.328 68.387 68.868 -0.255 0.000 0.870 1152 T HN 0.326 nan 8.240 nan 0.000 0.445 1153 F N 1.542 121.398 119.950 -0.155 0.000 2.186 1153 F HA 0.114 4.584 4.527 -0.094 0.000 0.299 1153 F C 2.510 178.139 175.800 -0.284 0.000 1.090 1153 F CA 0.539 58.416 58.000 -0.204 0.000 1.307 1153 F CB -0.388 38.595 39.000 -0.027 0.000 1.019 1153 F HN -0.017 nan 8.300 nan 0.000 0.489 1154 R N 0.014 120.543 120.500 0.050 0.000 2.070 1154 R HA -0.159 4.125 4.340 -0.095 0.000 0.233 1154 R C 2.192 178.427 176.300 -0.109 0.000 1.137 1154 R CA 2.330 58.451 56.100 0.034 0.000 0.945 1154 R CB -0.500 29.831 30.300 0.052 0.000 0.845 1154 R HN 0.414 nan 8.270 nan 0.000 0.430 1155 T N -4.298 110.159 114.554 -0.162 0.000 2.983 1155 T HA 0.195 4.489 4.350 -0.095 0.000 0.250 1155 T C 1.390 175.914 174.700 -0.294 0.000 1.037 1155 T CA 0.709 62.701 62.100 -0.179 0.000 1.142 1155 T CB 0.348 69.146 68.868 -0.118 0.000 0.876 1155 T HN 0.429 nan 8.240 nan 0.000 0.455 1156 G N 1.677 110.253 108.800 -0.373 0.000 2.131 1156 G HA2 -0.159 3.745 3.960 -0.095 0.000 0.223 1156 G HA3 -0.159 3.745 3.960 -0.095 0.000 0.223 1156 G C 0.210 174.856 174.900 -0.423 0.000 0.990 1156 G CA 0.429 45.266 45.100 -0.438 0.000 0.671 1156 G HN 1.172 nan 8.290 nan 0.000 0.521 1157 T N -3.893 110.431 114.554 -0.382 0.000 2.910 1157 T HA 0.578 4.872 4.350 -0.095 0.000 0.287 1157 T C 0.396 174.858 174.700 -0.397 0.000 1.050 1157 T CA -0.541 61.342 62.100 -0.363 0.000 1.011 1157 T CB 1.353 70.139 68.868 -0.136 0.000 1.195 1157 T HN 0.328 nan 8.240 nan 0.000 0.540 1158 W N 0.221 121.545 121.300 0.040 0.000 3.391 1158 W HA 0.273 4.876 4.660 -0.096 0.000 0.372 1158 W C 0.766 177.352 176.519 0.110 0.000 1.171 1158 W CA -0.605 56.822 57.345 0.137 0.000 1.862 1158 W CB -0.180 29.347 29.460 0.110 0.000 1.048 1158 W HN 0.688 nan 8.180 nan 0.000 0.726 1159 D N 0.703 121.182 120.400 0.131 0.000 2.309 1159 D HA -0.123 4.460 4.640 -0.095 0.000 0.212 1159 D C 2.057 178.341 176.300 -0.027 0.000 0.968 1159 D CA 1.014 55.044 54.000 0.050 0.000 0.882 1159 D CB -0.098 40.701 40.800 -0.002 0.000 0.918 1159 D HN 0.202 nan 8.370 nan 0.000 0.503 1160 A N -0.871 121.870 122.820 -0.132 0.000 2.259 1160 A HA 0.118 4.382 4.320 -0.095 0.000 0.208 1160 A C -0.129 177.040 177.584 -0.690 0.000 1.201 1160 A CA 0.248 52.035 52.037 -0.417 0.000 0.824 1160 A CB -0.176 18.483 19.000 -0.568 0.000 0.838 1160 A HN 0.113 nan 8.150 nan 0.000 0.485 1161 Y N 0.000 120.346 120.300 0.076 0.000 2.660 1161 Y HA 0.000 4.494 4.550 -0.094 0.000 0.201 1161 Y CA 0.000 58.134 58.100 0.057 0.000 1.940 1161 Y CB 0.000 38.507 38.460 0.078 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758