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 3gxp_1_B DATA FIRST_RESID 32 DATA SEQUENCE LDNGLARTPT MGWLHWERFM cNLDcQEEPD ScISEKLFME MAELMVSEGW DATA SEQUENCE KDAGYEYLCI DDcWMAPQRD SEGRLQADPQ RFPHGIRQLA NYVHSKGLKL DATA SEQUENCE GIYADVGNKT cAGFPGSFGY YDIDAQTFAD WGVDLLKFDG cYCDSLENLA DATA SEQUENCE DGYKHMSLAL NRTGRSIVYS cEWPLYMWPF QKPNYTEIRQ YcNHWRNFAD DATA SEQUENCE IDDSWKSIKS ILDWTSFNQE RIVDVAGPGG WNDPDMLVIG NFGLSWNQQV DATA SEQUENCE TQMALWAIMA APLFMSNDLR HISPQAKALL QDKDVIAINQ DPLGKQGYQL DATA SEQUENCE RQGDNFEVWE RPLSGLAWAV AMINRQEIGG PRSYTIAVAS LGKGVAcNPA DATA SEQUENCE cFITQLLPVK RKLGFYEWTS RLRSHINPTG TVLLQLENTM Q 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 32 L HA 0.000 nan 4.340 nan 0.000 0.249 32 L C 0.000 176.899 176.870 0.049 0.000 1.165 32 L CA 0.000 54.887 54.840 0.079 0.000 0.813 32 L CB 0.000 42.157 42.059 0.164 0.000 0.961 33 D N 1.948 122.359 120.400 0.019 0.000 3.110 33 D HA 0.276 4.916 4.640 0.001 0.000 0.254 33 D C 0.376 176.695 176.300 0.032 0.000 1.283 33 D CA 0.121 54.130 54.000 0.015 0.000 0.944 33 D CB 0.166 40.960 40.800 -0.010 0.000 1.066 33 D HN 0.561 nan 8.370 nan 0.000 0.496 34 N N 0.200 118.935 118.700 0.058 0.000 2.214 34 N HA 0.145 4.886 4.740 0.001 0.000 0.214 34 N C 1.423 176.977 175.510 0.074 0.000 1.132 34 N CA 0.186 53.275 53.050 0.065 0.000 0.856 34 N CB 0.317 38.855 38.487 0.084 0.000 1.020 34 N HN 0.183 nan 8.380 nan 0.000 0.509 35 G N 0.038 108.881 108.800 0.072 0.000 2.189 35 G HA2 -0.281 3.680 3.960 0.001 0.000 0.267 35 G HA3 -0.281 3.680 3.960 0.001 0.000 0.267 35 G C -0.322 174.645 174.900 0.112 0.000 0.975 35 G CA 0.752 45.901 45.100 0.081 0.000 0.644 35 G HN 0.372 nan 8.290 nan 0.000 0.537 36 L N -0.960 120.344 121.223 0.135 0.000 2.332 36 L HA 0.715 5.056 4.340 0.001 0.000 0.269 36 L C 1.432 178.436 176.870 0.223 0.000 1.016 36 L CA -0.574 54.374 54.840 0.179 0.000 0.809 36 L CB 1.637 43.808 42.059 0.187 0.000 1.280 36 L HN 1.179 nan 8.230 nan 0.000 0.447 37 A N 1.040 124.025 122.820 0.276 0.000 2.519 37 A HA -0.178 4.143 4.320 0.001 0.000 0.297 37 A C 1.368 179.246 177.584 0.490 0.000 1.472 37 A CA 0.382 52.666 52.037 0.412 0.000 0.739 37 A CB -1.088 18.265 19.000 0.588 0.000 1.096 37 A HN 0.740 nan 8.150 nan 0.000 0.414 38 R N 0.044 120.742 120.500 0.330 0.000 2.189 38 R HA 0.001 4.342 4.340 0.001 0.000 0.218 38 R C 1.235 177.805 176.300 0.449 0.000 1.074 38 R CA 1.558 57.850 56.100 0.320 0.000 0.991 38 R CB -0.902 29.510 30.300 0.186 0.000 0.883 38 R HN 1.200 nan 8.270 nan 0.000 0.457 39 T N -2.475 112.262 114.554 0.304 0.000 2.916 39 T HA 0.548 4.899 4.350 0.001 0.000 0.292 39 T C -2.966 171.528 174.700 -0.343 0.000 1.055 39 T CA -2.693 59.406 62.100 -0.003 0.000 1.009 39 T CB 2.906 71.719 68.868 -0.093 0.000 1.118 39 T HN -0.279 nan 8.240 nan 0.000 0.497 40 P HA 0.138 nan 4.420 nan 0.000 0.262 40 P C 0.079 177.048 177.300 -0.552 0.000 1.182 40 P CA 0.149 62.528 63.100 -1.201 0.000 0.761 40 P CB -0.052 30.981 31.700 -1.111 0.000 0.795 41 T N 4.341 118.651 114.554 -0.406 0.000 2.937 41 T HA 0.166 4.517 4.350 0.001 0.000 0.316 41 T C 0.440 174.795 174.700 -0.575 0.000 1.079 41 T CA 0.397 62.295 62.100 -0.335 0.000 1.131 41 T CB -0.107 68.649 68.868 -0.186 0.000 1.000 41 T HN 0.313 nan 8.240 nan 0.000 0.549 42 M N 1.700 121.102 119.600 -0.330 0.000 2.393 42 M HA 0.603 5.084 4.480 0.001 0.000 0.299 42 M C 0.398 176.760 176.300 0.102 0.000 1.103 42 M CA -0.424 54.722 55.300 -0.256 0.000 0.910 42 M CB 2.535 34.974 32.600 -0.268 0.000 1.659 42 M HN 0.949 nan 8.290 nan 0.000 0.445 43 G N 1.540 110.518 108.800 0.297 0.000 2.392 43 G HA2 0.351 4.311 3.960 0.001 0.000 0.260 43 G HA3 0.351 4.311 3.960 0.001 0.000 0.260 43 G C -2.922 172.351 174.900 0.621 0.000 1.226 43 G CA -0.668 44.783 45.100 0.585 0.000 0.913 43 G HN 0.737 nan 8.290 nan 0.000 0.483 44 W N 0.105 121.663 121.300 0.430 0.000 3.138 44 W HA 0.803 5.463 4.660 0.001 0.000 0.331 44 W C -1.688 175.030 176.519 0.331 0.000 1.166 44 W CA -0.858 56.645 57.345 0.264 0.000 1.212 44 W CB 1.708 31.207 29.460 0.065 0.000 1.399 44 W HN 0.486 nan 8.180 nan 0.000 0.514 45 L N 5.580 126.643 121.223 -0.267 0.000 2.410 45 L HA 0.232 4.573 4.340 0.001 0.000 0.270 45 L C 1.076 177.472 176.870 -0.790 0.000 0.983 45 L CA -0.775 53.919 54.840 -0.243 0.000 0.822 45 L CB 1.962 43.929 42.059 -0.153 0.000 1.285 45 L HN 0.908 nan 8.230 nan 0.000 0.409 46 H N 2.301 121.147 119.070 -0.374 0.000 2.521 46 H HA -0.164 4.393 4.556 0.001 0.000 0.286 46 H C 1.522 176.879 175.328 0.048 0.000 1.034 46 H CA 1.230 57.134 56.048 -0.241 0.000 1.278 46 H CB 0.010 29.935 29.762 0.272 0.000 1.386 46 H HN 0.715 nan 8.280 nan 0.000 0.567 47 W N 1.851 122.918 121.300 -0.388 0.000 2.355 47 W HA -0.152 4.509 4.660 0.001 0.000 0.309 47 W C 1.944 178.425 176.519 -0.063 0.000 1.206 47 W CA 1.851 59.027 57.345 -0.281 0.000 1.284 47 W CB 0.031 29.315 29.460 -0.294 0.000 1.145 47 W HN 0.395 nan 8.180 nan 0.000 0.502 48 E N 1.038 121.152 120.200 -0.142 0.000 2.107 48 E HA -0.222 4.129 4.350 0.001 0.000 0.191 48 E C 2.130 178.572 176.600 -0.263 0.000 0.982 48 E CA 1.228 57.505 56.400 -0.204 0.000 0.809 48 E CB -0.232 29.436 29.700 -0.053 0.000 0.756 48 E HN 0.155 nan 8.360 nan 0.000 0.459 49 R N -0.876 119.486 120.500 -0.230 0.000 2.161 49 R HA 0.023 4.363 4.340 0.001 0.000 0.213 49 R C 1.653 177.601 176.300 -0.587 0.000 1.055 49 R CA 1.137 57.019 56.100 -0.362 0.000 0.996 49 R CB -0.385 29.698 30.300 -0.361 0.000 0.901 49 R HN 0.128 nan 8.270 nan 0.000 0.456 50 F N -0.738 119.164 119.950 -0.080 0.000 2.712 50 F HA 0.382 4.910 4.527 0.001 0.000 0.297 50 F C 1.073 176.788 175.800 -0.141 0.000 1.114 50 F CA 0.049 58.036 58.000 -0.021 0.000 1.305 50 F CB 0.073 39.123 39.000 0.083 0.000 1.086 50 F HN -0.148 nan 8.300 nan 0.000 0.599 51 M N -1.021 118.367 119.600 -0.353 0.000 7.319 51 M HA -0.416 4.065 4.480 0.001 0.000 0.104 51 M C 0.432 176.544 176.300 -0.313 0.000 0.480 51 M CA 1.516 56.197 55.300 -1.031 0.000 1.311 51 M CB -1.328 30.824 32.600 -0.746 0.000 0.421 51 M HN 0.194 nan 8.290 nan 0.000 0.263 52 c N 2.399 120.938 118.600 -0.102 0.000 2.361 52 c HA 0.313 4.884 4.570 0.001 0.000 0.336 52 c C 0.255 174.453 174.090 0.179 0.000 1.406 52 c CA -0.598 55.884 56.329 0.255 0.000 1.763 52 c CB -1.898 40.856 42.510 0.407 0.000 2.761 52 c HN 0.465 nan 8.230 nan 0.000 0.566 53 N N 1.383 120.158 118.700 0.125 0.000 2.406 53 N HA 0.149 4.890 4.740 0.001 0.000 0.265 53 N C 0.603 176.185 175.510 0.120 0.000 1.203 53 N CA 0.283 53.394 53.050 0.101 0.000 0.945 53 N CB 0.546 39.086 38.487 0.089 0.000 1.165 53 N HN 0.614 nan 8.380 nan 0.000 0.485 54 L N 1.316 122.612 121.223 0.122 0.000 2.590 54 L HA 0.198 4.538 4.340 0.001 0.000 0.227 54 L C 0.517 177.439 176.870 0.087 0.000 1.099 54 L CA 0.018 54.934 54.840 0.127 0.000 0.872 54 L CB 0.074 42.233 42.059 0.166 0.000 1.088 54 L HN 0.329 nan 8.230 nan 0.000 0.479 55 D N -0.369 120.071 120.400 0.067 0.000 2.483 55 D HA 0.083 4.724 4.640 0.001 0.000 0.220 55 D C 0.852 177.172 176.300 0.033 0.000 1.173 55 D CA -0.059 53.969 54.000 0.046 0.000 0.964 55 D CB 0.608 41.431 40.800 0.038 0.000 1.046 55 D HN 0.088 nan 8.370 nan 0.000 0.517 56 c N 2.351 120.967 118.600 0.027 0.000 2.500 56 c HA -0.008 4.563 4.570 0.001 0.000 0.273 56 c C 2.296 176.388 174.090 0.004 0.000 1.428 56 c CA -0.077 56.258 56.329 0.009 0.000 1.766 56 c CB -0.319 42.188 42.510 -0.004 0.000 1.817 56 c HN 0.606 nan 8.230 nan 0.000 0.543 57 Q N 0.799 120.605 119.800 0.009 0.000 2.062 57 Q HA -0.066 4.275 4.340 0.001 0.000 0.196 57 Q C 1.768 177.771 176.000 0.005 0.000 0.967 57 Q CA 1.413 57.219 55.803 0.005 0.000 0.832 57 Q CB -0.242 28.500 28.738 0.007 0.000 0.899 57 Q HN 0.544 nan 8.270 nan 0.000 0.442 58 E N 0.018 120.223 120.200 0.008 0.000 2.431 58 E HA 0.021 4.372 4.350 0.001 0.000 0.200 58 E C -0.038 176.566 176.600 0.006 0.000 0.995 58 E CA 0.313 56.716 56.400 0.005 0.000 0.915 58 E CB 0.681 30.384 29.700 0.004 0.000 0.930 58 E HN 0.120 nan 8.360 nan 0.000 0.496 59 E N -0.011 120.196 120.200 0.012 0.000 3.858 59 E HA 0.131 4.482 4.350 0.001 0.000 0.208 59 E C -2.027 174.588 176.600 0.025 0.000 1.041 59 E CA -1.278 55.133 56.400 0.019 0.000 1.368 59 E CB 0.757 30.471 29.700 0.025 0.000 1.176 59 E HN 0.148 nan 8.360 nan 0.000 0.448 60 P HA -0.177 nan 4.420 nan 0.000 0.217 60 P C 0.696 177.998 177.300 0.005 0.000 1.151 60 P CA 1.199 64.299 63.100 -0.000 0.000 0.849 60 P CB 0.454 32.151 31.700 -0.006 0.000 0.787 61 D N -0.524 119.896 120.400 0.034 0.000 2.312 61 D HA -0.044 4.597 4.640 0.001 0.000 0.211 61 D C 1.721 178.100 176.300 0.132 0.000 0.964 61 D CA 1.383 55.422 54.000 0.065 0.000 0.877 61 D CB 0.055 40.913 40.800 0.097 0.000 0.924 61 D HN 0.352 nan 8.370 nan 0.000 0.515 62 S N -0.311 115.481 115.700 0.153 0.000 2.603 62 S HA 0.046 4.516 4.470 0.001 0.000 0.232 62 S C 1.144 175.861 174.600 0.194 0.000 1.016 62 S CA -0.619 57.767 58.200 0.310 0.000 0.976 62 S CB -0.690 62.677 63.200 0.279 0.000 0.921 62 S HN 0.326 nan 8.310 nan 0.000 0.516 63 c N 2.577 121.218 118.600 0.068 0.000 2.703 63 c HA 0.524 5.095 4.570 0.001 0.000 0.411 63 c C 0.755 174.825 174.090 -0.035 0.000 1.290 63 c CA -1.213 55.137 56.329 0.036 0.000 2.054 63 c CB -1.031 41.492 42.510 0.021 0.000 2.732 63 c HN 0.461 nan 8.230 nan 0.000 0.650 64 I N 4.817 125.394 120.570 0.011 0.000 2.460 64 I HA 0.217 4.387 4.170 0.001 0.000 0.297 64 I C 0.916 177.060 176.117 0.045 0.000 1.139 64 I CA 0.987 62.299 61.300 0.019 0.000 1.340 64 I CB -1.405 36.670 38.000 0.124 0.000 1.444 64 I HN 0.982 nan 8.210 nan 0.000 0.557 65 S N 4.006 119.588 115.700 -0.197 0.000 2.599 65 S HA 0.403 4.874 4.470 0.001 0.000 0.287 65 S C 0.928 175.062 174.600 -0.777 0.000 1.105 65 S CA -0.748 57.127 58.200 -0.541 0.000 0.899 65 S CB 2.386 65.399 63.200 -0.311 0.000 1.100 65 S HN 0.629 nan 8.310 nan 0.000 0.482 66 E N 1.838 121.318 120.200 -1.200 0.000 2.097 66 E HA -0.280 4.071 4.350 0.001 0.000 0.196 66 E C 1.269 177.715 176.600 -0.256 0.000 1.000 66 E CA 1.433 57.479 56.400 -0.591 0.000 0.804 66 E CB -0.402 29.088 29.700 -0.349 0.000 0.740 66 E HN 0.698 nan 8.360 nan 0.000 0.454 67 K N 0.730 120.966 120.400 -0.273 0.000 2.211 67 K HA -0.108 4.213 4.320 0.001 0.000 0.203 67 K C 2.238 178.694 176.600 -0.240 0.000 1.050 67 K CA 0.797 56.949 56.287 -0.225 0.000 0.945 67 K CB -0.534 31.857 32.500 -0.181 0.000 0.732 67 K HN 0.181 nan 8.250 nan 0.000 0.451 68 L N 1.180 122.221 121.223 -0.303 0.000 1.970 68 L HA -0.120 4.220 4.340 0.001 0.000 0.212 68 L C 2.253 178.821 176.870 -0.502 0.000 1.071 68 L CA 1.685 56.248 54.840 -0.461 0.000 0.751 68 L CB -0.719 40.931 42.059 -0.683 0.000 0.889 68 L HN -0.022 nan 8.230 nan 0.000 0.432 69 F N -0.987 118.808 119.950 -0.259 0.000 2.134 69 F HA -0.231 4.297 4.527 0.001 0.000 0.299 69 F C 2.423 178.127 175.800 -0.161 0.000 1.097 69 F CA 1.681 59.570 58.000 -0.185 0.000 1.264 69 F CB -0.622 38.351 39.000 -0.046 0.000 1.001 69 F HN 0.068 nan 8.300 nan 0.000 0.479 70 M N -0.433 119.149 119.600 -0.030 0.000 2.086 70 M HA -0.239 4.242 4.480 0.001 0.000 0.261 70 M C 2.246 178.541 176.300 -0.008 0.000 1.067 70 M CA 1.838 57.082 55.300 -0.093 0.000 1.116 70 M CB -0.603 31.728 32.600 -0.449 0.000 1.348 70 M HN 0.137 nan 8.290 nan 0.000 0.407 71 E N 0.162 120.286 120.200 -0.128 0.000 2.077 71 E HA -0.205 4.146 4.350 0.001 0.000 0.193 71 E C 2.039 178.526 176.600 -0.188 0.000 0.989 71 E CA 1.169 57.489 56.400 -0.134 0.000 0.800 71 E CB 0.153 29.752 29.700 -0.169 0.000 0.746 71 E HN 0.296 nan 8.360 nan 0.000 0.452 72 M N 0.373 119.771 119.600 -0.337 0.000 2.149 72 M HA -0.121 4.360 4.480 0.001 0.000 0.261 72 M C 2.314 178.435 176.300 -0.298 0.000 1.064 72 M CA 1.514 56.513 55.300 -0.501 0.000 1.102 72 M CB -1.258 30.754 32.600 -0.981 0.000 1.369 72 M HN 0.211 nan 8.290 nan 0.000 0.408 73 A N -0.110 122.633 122.820 -0.127 0.000 1.902 73 A HA -0.190 4.131 4.320 0.001 0.000 0.217 73 A C 2.092 179.677 177.584 0.002 0.000 1.181 73 A CA 1.800 53.834 52.037 -0.004 0.000 0.623 73 A CB -0.705 18.373 19.000 0.131 0.000 0.818 73 A HN 0.602 nan 8.150 nan 0.000 0.443 74 E N -0.749 119.466 120.200 0.026 0.000 2.110 74 E HA -0.161 4.189 4.350 0.001 0.000 0.193 74 E C 1.704 178.310 176.600 0.011 0.000 0.988 74 E CA 1.021 57.432 56.400 0.018 0.000 0.804 74 E CB -0.192 29.532 29.700 0.039 0.000 0.745 74 E HN 0.417 nan 8.360 nan 0.000 0.458 75 L N 0.196 121.413 121.223 -0.011 0.000 2.131 75 L HA -0.029 4.312 4.340 0.001 0.000 0.206 75 L C 2.204 179.187 176.870 0.188 0.000 1.087 75 L CA 1.337 56.206 54.840 0.049 0.000 0.767 75 L CB -0.523 41.533 42.059 -0.004 0.000 0.917 75 L HN 0.181 nan 8.230 nan 0.000 0.441 76 M N -1.651 118.012 119.600 0.105 0.000 2.192 76 M HA -0.246 4.235 4.480 0.001 0.000 0.259 76 M C 2.048 178.492 176.300 0.241 0.000 1.071 76 M CA 1.361 56.801 55.300 0.232 0.000 1.082 76 M CB -0.304 32.350 32.600 0.089 0.000 1.373 76 M HN 0.098 nan 8.290 nan 0.000 0.408 77 V N -0.775 119.211 119.914 0.120 0.000 2.341 77 V HA -0.151 3.970 4.120 0.001 0.000 0.240 77 V C 2.360 178.485 176.094 0.053 0.000 1.035 77 V CA 1.914 64.257 62.300 0.072 0.000 1.033 77 V CB -0.483 31.351 31.823 0.019 0.000 0.678 77 V HN 0.566 nan 8.190 nan 0.000 0.464 78 S N -0.339 115.387 115.700 0.043 0.000 2.453 78 S HA -0.092 4.379 4.470 0.001 0.000 0.231 78 S C 1.466 176.068 174.600 0.002 0.000 1.005 78 S CA 0.987 59.196 58.200 0.016 0.000 0.949 78 S CB -0.234 62.972 63.200 0.011 0.000 0.774 78 S HN 0.587 nan 8.310 nan 0.000 0.510 79 E N 0.636 120.853 120.200 0.030 0.000 2.463 79 E HA 0.271 4.622 4.350 0.001 0.000 0.193 79 E C 1.247 177.640 176.600 -0.344 0.000 1.041 79 E CA 0.485 56.838 56.400 -0.079 0.000 0.879 79 E CB 0.315 30.063 29.700 0.080 0.000 0.997 79 E HN 0.700 nan 8.360 nan 0.000 0.478 80 G N 0.533 109.210 108.800 -0.205 0.000 2.176 80 G HA2 -0.265 3.695 3.960 0.001 0.000 0.232 80 G HA3 -0.265 3.695 3.960 0.001 0.000 0.232 80 G C 0.842 175.649 174.900 -0.155 0.000 0.986 80 G CA 0.137 45.097 45.100 -0.234 0.000 0.643 80 G HN 0.324 nan 8.290 nan 0.000 0.522 81 W N 0.935 122.287 121.300 0.086 0.000 2.381 81 W HA 0.114 4.775 4.660 0.001 0.000 0.301 81 W C 2.586 179.248 176.519 0.238 0.000 1.205 81 W CA 1.601 59.048 57.345 0.170 0.000 1.285 81 W CB -0.084 29.424 29.460 0.080 0.000 1.133 81 W HN 0.288 nan 8.180 nan 0.000 0.521 82 K N 0.779 121.383 120.400 0.341 0.000 2.103 82 K HA -0.153 4.168 4.320 0.001 0.000 0.204 82 K C 1.144 177.830 176.600 0.143 0.000 1.052 82 K CA 1.741 58.169 56.287 0.235 0.000 0.945 82 K CB -0.575 32.020 32.500 0.159 0.000 0.722 82 K HN 0.002 nan 8.250 nan 0.000 0.443 83 D N 1.090 121.549 120.400 0.098 0.000 2.149 83 D HA -0.130 4.511 4.640 0.001 0.000 0.198 83 D C 1.617 177.942 176.300 0.041 0.000 0.990 83 D CA 1.512 55.540 54.000 0.046 0.000 0.839 83 D CB -0.025 40.780 40.800 0.009 0.000 0.948 83 D HN 0.410 nan 8.370 nan 0.000 0.460 84 A N -0.916 121.955 122.820 0.084 0.000 2.123 84 A HA 0.395 4.716 4.320 0.001 0.000 0.214 84 A C 1.760 179.315 177.584 -0.049 0.000 1.152 84 A CA 1.385 53.455 52.037 0.055 0.000 0.728 84 A CB 0.208 19.299 19.000 0.152 0.000 0.814 84 A HN 0.295 nan 8.150 nan 0.000 0.464 85 G N -2.802 105.988 108.800 -0.017 0.000 2.227 85 G HA2 -0.154 3.807 3.960 0.001 0.000 0.168 85 G HA3 -0.154 3.807 3.960 0.001 0.000 0.168 85 G C -0.207 174.631 174.900 -0.104 0.000 1.006 85 G CA -0.264 44.778 45.100 -0.095 0.000 0.684 85 G HN 0.267 nan 8.290 nan 0.000 0.489 86 Y N 1.306 121.709 120.300 0.172 0.000 2.637 86 Y HA 0.478 5.029 4.550 0.001 0.000 0.350 86 Y C 1.415 177.438 175.900 0.205 0.000 1.069 86 Y CA 0.657 58.883 58.100 0.210 0.000 1.397 86 Y CB 1.107 39.743 38.460 0.294 0.000 1.163 86 Y HN 0.263 nan 8.280 nan 0.000 0.527 87 E N 1.661 122.062 120.200 0.335 0.000 2.367 87 E HA 0.110 4.461 4.350 0.001 0.000 0.204 87 E C -0.985 175.717 176.600 0.170 0.000 0.840 87 E CA 0.329 56.851 56.400 0.202 0.000 1.051 87 E CB 0.227 29.999 29.700 0.119 0.000 1.051 87 E HN 0.539 nan 8.360 nan 0.000 0.509 88 Y N 0.887 121.368 120.300 0.301 0.000 2.404 88 Y HA 0.355 4.906 4.550 0.001 0.000 0.344 88 Y C -0.451 175.699 175.900 0.418 0.000 0.970 88 Y CA -0.970 57.341 58.100 0.353 0.000 1.180 88 Y CB 1.039 39.761 38.460 0.437 0.000 1.138 88 Y HN 0.005 nan 8.280 nan 0.000 0.510 89 L N 4.812 126.302 121.223 0.446 0.000 2.265 89 L HA 0.574 4.914 4.340 0.001 0.000 0.288 89 L C -1.056 176.103 176.870 0.481 0.000 1.058 89 L CA -0.189 54.942 54.840 0.485 0.000 0.809 89 L CB 0.093 42.342 42.059 0.316 0.000 1.179 89 L HN 0.681 nan 8.230 nan 0.000 0.429 90 C N 5.716 125.373 119.300 0.595 0.000 2.408 90 C HA 0.561 5.022 4.460 0.001 0.000 0.321 90 C C 0.165 175.416 174.990 0.435 0.000 1.245 90 C CA -1.135 58.115 59.018 0.387 0.000 1.523 90 C CB 0.899 28.790 27.740 0.251 0.000 2.178 90 C HN 0.724 nan 8.230 nan 0.000 0.488 91 I N 2.913 123.562 120.570 0.131 0.000 2.395 91 I HA 0.226 4.397 4.170 0.001 0.000 0.289 91 I C 0.685 176.974 176.117 0.287 0.000 1.023 91 I CA 0.419 61.821 61.300 0.171 0.000 1.350 91 I CB 0.400 38.181 38.000 -0.365 0.000 1.409 91 I HN 0.691 nan 8.210 nan 0.000 0.507 92 D N 3.708 124.345 120.400 0.396 0.000 2.481 92 D HA 0.075 4.716 4.640 0.001 0.000 0.283 92 D C -0.414 175.974 176.300 0.146 0.000 1.192 92 D CA -0.352 53.656 54.000 0.013 0.000 1.100 92 D CB 0.900 41.486 40.800 -0.357 0.000 1.166 92 D HN 0.434 nan 8.370 nan 0.000 0.584 93 D N -1.056 119.112 120.400 -0.387 0.000 2.361 93 D HA 0.068 4.709 4.640 0.001 0.000 0.239 93 D C -0.039 176.472 176.300 0.352 0.000 1.200 93 D CA 0.098 53.889 54.000 -0.349 0.000 0.915 93 D CB 0.337 40.723 40.800 -0.690 0.000 1.170 93 D HN 0.524 nan 8.370 nan 0.000 0.444 94 c N 2.129 120.815 118.600 0.143 0.000 4.623 94 c HA -0.099 4.472 4.570 0.001 0.000 0.294 94 c C 1.385 175.428 174.090 -0.079 0.000 1.274 94 c CA -0.039 56.269 56.329 -0.035 0.000 2.099 94 c CB -2.463 40.251 42.510 0.339 0.000 1.221 94 c HN 0.758 nan 8.230 nan 0.000 0.767 95 W N -0.509 120.664 121.300 -0.211 0.000 2.842 95 W HA 0.393 5.054 4.660 0.001 0.000 0.267 95 W C 0.772 176.989 176.519 -0.503 0.000 1.219 95 W CA -0.054 57.035 57.345 -0.426 0.000 1.458 95 W CB -0.979 28.114 29.460 -0.611 0.000 1.006 95 W HN 0.444 nan 8.180 nan 0.000 0.603 96 M N 2.405 121.214 119.600 -1.320 0.000 2.243 96 M HA 0.509 4.990 4.480 0.001 0.000 0.341 96 M C 0.607 176.532 176.300 -0.625 0.000 1.130 96 M CA -0.084 54.559 55.300 -1.095 0.000 1.162 96 M CB 0.316 32.194 32.600 -1.203 0.000 1.497 96 M HN -0.113 nan 8.290 nan 0.000 0.456 97 A N 2.737 125.377 122.820 -0.301 0.000 2.448 97 A HA 0.273 4.594 4.320 0.001 0.000 0.239 97 A C -1.536 176.029 177.584 -0.031 0.000 1.080 97 A CA -1.136 50.830 52.037 -0.118 0.000 0.779 97 A CB -0.647 18.327 19.000 -0.044 0.000 1.026 97 A HN 0.736 nan 8.150 nan 0.000 0.499 98 P HA -0.157 nan 4.420 nan 0.000 0.216 98 P C 0.454 177.797 177.300 0.072 0.000 1.150 98 P CA 1.902 65.102 63.100 0.167 0.000 0.843 98 P CB 0.137 31.900 31.700 0.106 0.000 0.787 99 Q N -2.454 117.352 119.800 0.010 0.000 3.019 99 Q HA 0.299 4.640 4.340 0.001 0.000 0.337 99 Q C -0.349 175.614 176.000 -0.062 0.000 0.900 99 Q CA -0.798 54.983 55.803 -0.036 0.000 0.800 99 Q CB 0.702 29.416 28.738 -0.040 0.000 1.437 99 Q HN -0.194 nan 8.270 nan 0.000 0.505 100 R N 1.328 121.769 120.500 -0.098 0.000 2.707 100 R HA 0.188 4.529 4.340 0.001 0.000 0.270 100 R C 0.135 176.408 176.300 -0.045 0.000 1.083 100 R CA 0.042 56.076 56.100 -0.110 0.000 1.182 100 R CB -0.258 29.930 30.300 -0.187 0.000 1.084 100 R HN 0.832 nan 8.270 nan 0.000 0.528 101 D N -0.863 119.525 120.400 -0.020 0.000 2.414 101 D HA -0.051 4.589 4.640 0.001 0.000 0.259 101 D C 0.436 176.737 176.300 0.001 0.000 1.269 101 D CA -0.395 53.609 54.000 0.007 0.000 1.028 101 D CB 0.198 41.021 40.800 0.038 0.000 1.093 101 D HN 0.365 nan 8.370 nan 0.000 0.545 102 S N -2.366 113.340 115.700 0.010 0.000 2.803 102 S HA 0.012 4.482 4.470 0.001 0.000 0.228 102 S C 0.864 175.471 174.600 0.012 0.000 0.953 102 S CA 0.077 58.283 58.200 0.010 0.000 0.983 102 S CB -0.555 62.651 63.200 0.011 0.000 0.784 102 S HN 0.613 nan 8.310 nan 0.000 0.498 103 E N 0.167 120.374 120.200 0.012 0.000 2.601 103 E HA 0.376 4.726 4.350 0.001 0.000 0.219 103 E C 1.178 177.786 176.600 0.013 0.000 0.964 103 E CA 0.460 56.867 56.400 0.012 0.000 1.050 103 E CB 0.107 29.814 29.700 0.013 0.000 1.068 103 E HN 0.574 nan 8.360 nan 0.000 0.496 104 G N 1.409 110.214 108.800 0.008 0.000 2.175 104 G HA2 -0.292 3.669 3.960 0.001 0.000 0.244 104 G HA3 -0.292 3.669 3.960 0.001 0.000 0.244 104 G C 0.247 175.099 174.900 -0.080 0.000 0.982 104 G CA 0.137 45.246 45.100 0.015 0.000 0.641 104 G HN 0.176 nan 8.290 nan 0.000 0.527 105 R N 0.059 120.521 120.500 -0.063 0.000 2.490 105 R HA 0.604 4.944 4.340 0.001 0.000 0.278 105 R C 1.228 177.487 176.300 -0.068 0.000 1.069 105 R CA -0.701 55.342 56.100 -0.096 0.000 1.080 105 R CB 0.662 30.926 30.300 -0.060 0.000 1.030 105 R HN 0.270 nan 8.270 nan 0.000 0.491 106 L N 2.464 123.638 121.223 -0.081 0.000 2.489 106 L HA -0.114 4.227 4.340 0.001 0.000 0.285 106 L C 0.581 177.626 176.870 0.292 0.000 1.259 106 L CA 0.831 55.711 54.840 0.065 0.000 0.828 106 L CB -0.061 42.107 42.059 0.182 0.000 1.094 106 L HN 0.653 nan 8.230 nan 0.000 0.524 107 Q N 0.907 120.873 119.800 0.276 0.000 2.482 107 Q HA 0.719 5.059 4.340 0.001 0.000 0.286 107 Q C -1.350 174.780 176.000 0.217 0.000 1.007 107 Q CA -1.087 54.913 55.803 0.328 0.000 0.801 107 Q CB 1.824 30.657 28.738 0.159 0.000 1.455 107 Q HN 0.591 nan 8.270 nan 0.000 0.398 108 A N 0.843 123.759 122.820 0.160 0.000 2.386 108 A HA 0.229 4.550 4.320 0.001 0.000 0.248 108 A C -0.319 177.270 177.584 0.010 0.000 1.082 108 A CA 0.010 52.088 52.037 0.068 0.000 0.789 108 A CB 0.092 19.063 19.000 -0.048 0.000 1.025 108 A HN 0.812 nan 8.150 nan 0.000 0.490 109 D N 1.059 121.451 120.400 -0.013 0.000 2.533 109 D HA 0.167 4.808 4.640 0.001 0.000 0.236 109 D C -1.589 174.776 176.300 0.109 0.000 1.137 109 D CA -0.625 53.405 54.000 0.051 0.000 0.867 109 D CB 0.788 41.652 40.800 0.106 0.000 1.170 109 D HN 0.167 nan 8.370 nan 0.000 0.474 110 P HA -0.083 nan 4.420 nan 0.000 0.221 110 P C 0.684 177.997 177.300 0.022 0.000 1.150 110 P CA 0.984 64.103 63.100 0.031 0.000 0.800 110 P CB 0.311 32.019 31.700 0.013 0.000 0.787 111 Q N -1.148 118.675 119.800 0.039 0.000 2.259 111 Q HA 0.119 4.459 4.340 0.001 0.000 0.201 111 Q C 2.148 178.158 176.000 0.016 0.000 0.938 111 Q CA 1.011 56.824 55.803 0.017 0.000 0.872 111 Q CB -0.176 28.574 28.738 0.019 0.000 0.971 111 Q HN 0.140 nan 8.270 nan 0.000 0.494 112 R N -1.194 119.355 120.500 0.081 0.000 2.210 112 R HA 0.147 4.488 4.340 0.001 0.000 0.203 112 R C -0.100 176.145 176.300 -0.092 0.000 1.010 112 R CA 0.521 56.644 56.100 0.038 0.000 1.008 112 R CB 0.457 30.855 30.300 0.165 0.000 0.923 112 R HN 0.124 nan 8.270 nan 0.000 0.469 113 F N 0.559 120.502 119.950 -0.011 0.000 2.577 113 F HA 0.283 4.811 4.527 0.001 0.000 0.342 113 F C -1.710 174.045 175.800 -0.076 0.000 1.479 113 F CA -1.921 56.066 58.000 -0.021 0.000 1.110 113 F CB 1.610 40.611 39.000 0.001 0.000 1.306 113 F HN -0.150 nan 8.300 nan 0.000 0.554 114 P HA -0.194 nan 4.420 nan 0.000 0.221 114 P C 0.961 178.105 177.300 -0.261 0.000 1.145 114 P CA 1.656 64.648 63.100 -0.180 0.000 0.795 114 P CB 0.069 31.581 31.700 -0.313 0.000 0.775 115 H N -0.909 118.154 119.070 -0.012 0.000 2.539 115 H HA 0.295 4.852 4.556 0.001 0.000 0.269 115 H C 1.416 176.701 175.328 -0.071 0.000 0.980 115 H CA 0.880 56.904 56.048 -0.041 0.000 1.152 115 H CB -0.086 29.639 29.762 -0.062 0.000 1.407 115 H HN 0.164 nan 8.280 nan 0.000 0.564 116 G N 0.977 109.772 108.800 -0.009 0.000 2.828 116 G HA2 -0.239 3.722 3.960 0.001 0.000 0.463 116 G HA3 -0.239 3.722 3.960 0.001 0.000 0.463 116 G C 0.672 175.406 174.900 -0.277 0.000 1.394 116 G CA -0.201 44.790 45.100 -0.182 0.000 0.862 116 G HN 0.163 nan 8.290 nan 0.000 0.540 117 I N 1.079 121.242 120.570 -0.678 0.000 2.617 117 I HA -0.015 4.156 4.170 0.001 0.000 0.256 117 I C 2.891 178.765 176.117 -0.405 0.000 1.167 117 I CA 1.885 62.808 61.300 -0.629 0.000 1.469 117 I CB -0.971 36.478 38.000 -0.919 0.000 1.098 117 I HN 0.781 nan 8.210 nan 0.000 0.436 118 R N 1.357 121.589 120.500 -0.446 0.000 2.075 118 R HA -0.171 4.170 4.340 0.001 0.000 0.232 118 R C 1.908 178.169 176.300 -0.064 0.000 1.126 118 R CA 1.431 57.442 56.100 -0.149 0.000 0.963 118 R CB -0.373 29.890 30.300 -0.061 0.000 0.858 118 R HN 0.355 nan 8.270 nan 0.000 0.435 119 Q N 0.423 120.181 119.800 -0.069 0.000 2.119 119 Q HA -0.117 4.224 4.340 0.001 0.000 0.201 119 Q C 2.167 178.156 176.000 -0.018 0.000 0.972 119 Q CA 1.271 57.060 55.803 -0.024 0.000 0.847 119 Q CB -0.042 28.687 28.738 -0.015 0.000 0.903 119 Q HN 0.274 nan 8.270 nan 0.000 0.433 120 L N 0.351 121.546 121.223 -0.047 0.000 2.131 120 L HA -0.108 4.233 4.340 0.001 0.000 0.210 120 L C 2.048 178.892 176.870 -0.042 0.000 1.092 120 L CA 1.841 56.665 54.840 -0.027 0.000 0.759 120 L CB -0.571 41.464 42.059 -0.040 0.000 0.903 120 L HN 0.105 nan 8.230 nan 0.000 0.435 121 A N -0.468 122.278 122.820 -0.124 0.000 1.898 121 A HA -0.182 4.139 4.320 0.001 0.000 0.216 121 A C 2.055 179.396 177.584 -0.404 0.000 1.181 121 A CA 1.629 53.481 52.037 -0.308 0.000 0.620 121 A CB -0.713 18.179 19.000 -0.179 0.000 0.819 121 A HN 0.578 nan 8.150 nan 0.000 0.442 122 N N -1.148 117.498 118.700 -0.089 0.000 2.104 122 N HA -0.202 4.539 4.740 0.001 0.000 0.190 122 N C 1.596 177.124 175.510 0.031 0.000 1.024 122 N CA 1.806 54.875 53.050 0.030 0.000 0.853 122 N CB -0.690 37.837 38.487 0.066 0.000 1.008 122 N HN 0.660 nan 8.380 nan 0.000 0.424 123 Y N 2.042 122.292 120.300 -0.084 0.000 2.089 123 Y HA -0.184 4.367 4.550 0.001 0.000 0.282 123 Y C 2.392 178.256 175.900 -0.061 0.000 1.139 123 Y CA 1.313 59.374 58.100 -0.066 0.000 1.123 123 Y CB -0.527 37.889 38.460 -0.074 0.000 0.980 123 Y HN -0.206 nan 8.280 nan 0.000 0.493 124 V N 0.217 120.147 119.914 0.026 0.000 2.392 124 V HA -0.358 3.763 4.120 0.001 0.000 0.249 124 V C 2.282 178.339 176.094 -0.062 0.000 1.059 124 V CA 2.366 64.635 62.300 -0.053 0.000 1.051 124 V CB -0.822 30.973 31.823 -0.047 0.000 0.658 124 V HN 0.522 nan 8.190 nan 0.000 0.455 125 H N 0.289 119.347 119.070 -0.021 0.000 2.462 125 H HA -0.030 4.526 4.556 0.001 0.000 0.292 125 H C 2.589 177.878 175.328 -0.065 0.000 1.049 125 H CA 1.500 57.528 56.048 -0.033 0.000 1.334 125 H CB -0.463 29.295 29.762 -0.007 0.000 1.404 125 H HN 0.645 nan 8.280 nan 0.000 0.544 126 S N 0.731 116.433 115.700 0.003 0.000 2.402 126 S HA -0.067 4.404 4.470 0.001 0.000 0.229 126 S C 1.698 176.232 174.600 -0.110 0.000 1.021 126 S CA 0.597 58.758 58.200 -0.065 0.000 0.974 126 S CB 0.082 63.208 63.200 -0.124 0.000 0.800 126 S HN 0.189 nan 8.310 nan 0.000 0.484 127 K N 1.072 121.377 120.400 -0.159 0.000 2.486 127 K HA 0.175 4.495 4.320 0.001 0.000 0.194 127 K C 1.374 177.945 176.600 -0.048 0.000 1.033 127 K CA 0.676 56.884 56.287 -0.131 0.000 1.004 127 K CB -0.537 31.858 32.500 -0.175 0.000 0.798 127 K HN 0.650 nan 8.250 nan 0.000 0.495 128 G N 1.478 110.268 108.800 -0.017 0.000 2.132 128 G HA2 -0.239 3.722 3.960 0.001 0.000 0.228 128 G HA3 -0.239 3.722 3.960 0.001 0.000 0.228 128 G C -0.027 174.879 174.900 0.010 0.000 1.000 128 G CA 0.011 45.111 45.100 0.001 0.000 0.693 128 G HN 0.184 nan 8.290 nan 0.000 0.515 129 L N -1.100 120.138 121.223 0.026 0.000 2.335 129 L HA 0.772 5.113 4.340 0.001 0.000 0.268 129 L C 0.627 177.522 176.870 0.042 0.000 1.016 129 L CA -1.170 53.684 54.840 0.022 0.000 0.805 129 L CB 1.366 43.452 42.059 0.045 0.000 1.311 129 L HN 0.008 nan 8.230 nan 0.000 0.456 130 K N 0.713 121.073 120.400 -0.066 0.000 2.267 130 K HA 0.629 4.950 4.320 0.001 0.000 0.246 130 K C -1.528 175.111 176.600 0.066 0.000 0.954 130 K CA -0.818 55.417 56.287 -0.086 0.000 0.824 130 K CB 2.339 34.457 32.500 -0.636 0.000 1.167 130 K HN 0.164 nan 8.250 nan 0.000 0.431 131 L N 1.077 122.394 121.223 0.156 0.000 2.313 131 L HA 0.532 4.873 4.340 0.001 0.000 0.283 131 L C -0.472 176.517 176.870 0.198 0.000 1.013 131 L CA 0.103 55.024 54.840 0.135 0.000 0.816 131 L CB 1.518 43.569 42.059 -0.014 0.000 1.236 131 L HN 0.717 nan 8.230 nan 0.000 0.419 132 G N 5.017 113.935 108.800 0.197 0.000 2.388 132 G HA2 0.631 4.592 3.960 0.001 0.000 0.330 132 G HA3 0.631 4.592 3.960 0.001 0.000 0.330 132 G C -1.172 173.701 174.900 -0.045 0.000 1.142 132 G CA -0.373 44.814 45.100 0.144 0.000 0.908 132 G HN 0.708 nan 8.290 nan 0.000 0.473 133 I N -0.150 120.331 120.570 -0.148 0.000 3.294 133 I HA 0.742 4.913 4.170 0.001 0.000 0.311 133 I C -1.604 174.465 176.117 -0.080 0.000 1.111 133 I CA -1.577 59.530 61.300 -0.321 0.000 0.976 133 I CB 2.557 40.142 38.000 -0.691 0.000 1.260 133 I HN 0.498 nan 8.210 nan 0.000 0.474 134 Y N 2.474 122.727 120.300 -0.078 0.000 2.425 134 Y HA 0.801 5.352 4.550 0.001 0.000 0.344 134 Y C -0.762 175.395 175.900 0.428 0.000 0.969 134 Y CA -0.344 57.886 58.100 0.217 0.000 1.052 134 Y CB 1.648 40.294 38.460 0.310 0.000 1.215 134 Y HN 0.651 nan 8.280 nan 0.000 0.451 135 A N 3.971 126.707 122.820 -0.140 0.000 2.567 135 A HA 0.561 4.882 4.320 0.001 0.000 0.289 135 A C -2.043 175.358 177.584 -0.305 0.000 1.177 135 A CA -0.732 51.348 52.037 0.072 0.000 0.694 135 A CB 1.792 21.127 19.000 0.559 0.000 1.292 135 A HN 0.665 nan 8.150 nan 0.000 0.425 136 D N -0.298 120.001 120.400 -0.168 0.000 2.646 136 D HA 0.324 4.965 4.640 0.001 0.000 0.245 136 D C 0.329 176.265 176.300 -0.606 0.000 1.099 136 D CA -0.309 53.395 54.000 -0.494 0.000 0.849 136 D CB 2.432 43.122 40.800 -0.184 0.000 1.448 136 D HN 0.237 nan 8.370 nan 0.000 0.489 137 V N 3.220 122.470 119.914 -1.106 0.000 2.913 137 V HA 0.089 4.210 4.120 0.001 0.000 0.260 137 V C 1.177 177.183 176.094 -0.147 0.000 1.098 137 V CA 1.898 63.751 62.300 -0.744 0.000 1.121 137 V CB -0.199 30.950 31.823 -1.123 0.000 0.714 137 V HN 0.571 nan 8.190 nan 0.000 0.487 138 G N -1.060 107.645 108.800 -0.160 0.000 2.641 138 G HA2 0.105 4.066 3.960 0.001 0.000 0.239 138 G HA3 0.105 4.066 3.960 0.001 0.000 0.239 138 G C 0.569 175.506 174.900 0.061 0.000 1.402 138 G CA 0.009 45.092 45.100 -0.028 0.000 1.046 138 G HN 0.241 nan 8.290 nan 0.000 0.565 139 N N -0.208 118.520 118.700 0.047 0.000 2.459 139 N HA 0.045 4.785 4.740 0.001 0.000 0.181 139 N C 0.295 175.800 175.510 -0.010 0.000 1.046 139 N CA 0.882 53.963 53.050 0.052 0.000 0.904 139 N CB 0.110 38.601 38.487 0.007 0.000 0.964 139 N HN 0.334 nan 8.380 nan 0.000 0.444 140 K N -0.759 119.636 120.400 -0.009 0.000 2.551 140 K HA 0.184 4.505 4.320 0.001 0.000 0.269 140 K C -0.350 176.311 176.600 0.102 0.000 0.949 140 K CA -0.570 55.676 56.287 -0.068 0.000 0.849 140 K CB 1.994 34.242 32.500 -0.421 0.000 1.411 140 K HN -0.059 nan 8.250 nan 0.000 0.432 141 T N -2.523 112.111 114.554 0.133 0.000 2.698 141 T HA 0.047 4.398 4.350 0.001 0.000 0.295 141 T C 1.373 176.262 174.700 0.315 0.000 1.007 141 T CA -0.407 61.845 62.100 0.253 0.000 0.980 141 T CB 0.378 69.493 68.868 0.411 0.000 1.036 141 T HN 0.676 nan 8.240 nan 0.000 0.526 142 c N 0.353 119.136 118.600 0.305 0.000 2.432 142 c HA 0.243 4.814 4.570 0.001 0.000 0.280 142 c C 3.066 177.310 174.090 0.256 0.000 1.353 142 c CA 0.629 57.113 56.329 0.257 0.000 1.766 142 c CB -1.925 40.666 42.510 0.135 0.000 1.924 142 c HN 0.976 nan 8.230 nan 0.000 0.509 143 A N -0.929 122.016 122.820 0.208 0.000 2.238 143 A HA 0.472 4.793 4.320 0.001 0.000 0.210 143 A C 1.673 179.216 177.584 -0.070 0.000 1.179 143 A CA 1.194 53.326 52.037 0.159 0.000 0.827 143 A CB -0.325 18.852 19.000 0.295 0.000 0.856 143 A HN 1.061 nan 8.150 nan 0.000 0.488 144 G N -2.105 106.644 108.800 -0.085 0.000 2.175 144 G HA2 -0.140 3.821 3.960 0.001 0.000 0.182 144 G HA3 -0.140 3.821 3.960 0.001 0.000 0.182 144 G C -0.065 174.593 174.900 -0.403 0.000 1.003 144 G CA -0.183 44.731 45.100 -0.310 0.000 0.666 144 G HN 0.212 nan 8.290 nan 0.000 0.506 145 F N 0.902 120.823 119.950 -0.048 0.000 2.368 145 F HA 0.562 5.090 4.527 0.001 0.000 0.308 145 F C -1.607 174.130 175.800 -0.106 0.000 1.198 145 F CA -2.353 55.590 58.000 -0.094 0.000 1.130 145 F CB 0.191 39.112 39.000 -0.132 0.000 1.300 145 F HN -0.207 nan 8.300 nan 0.000 0.537 146 P HA 0.052 nan 4.420 nan 0.000 0.258 146 P C -0.094 177.199 177.300 -0.012 0.000 1.172 146 P CA 0.265 63.343 63.100 -0.036 0.000 0.762 146 P CB -0.020 31.614 31.700 -0.111 0.000 0.764 147 G N 1.841 110.633 108.800 -0.013 0.000 2.588 147 G HA2 0.254 4.215 3.960 0.001 0.000 0.281 147 G HA3 0.254 4.215 3.960 0.001 0.000 0.281 147 G C 0.591 175.506 174.900 0.024 0.000 1.236 147 G CA -0.403 44.712 45.100 0.026 0.000 0.969 147 G HN 0.354 nan 8.290 nan 0.000 0.504 148 S N -0.999 114.737 115.700 0.060 0.000 2.523 148 S HA 0.145 4.616 4.470 0.001 0.000 0.217 148 S C 0.334 174.716 174.600 -0.363 0.000 0.996 148 S CA -0.601 57.586 58.200 -0.021 0.000 0.921 148 S CB -0.053 63.276 63.200 0.216 0.000 0.829 148 S HN 0.455 nan 8.310 nan 0.000 0.495 149 F N 3.194 122.977 119.950 -0.278 0.000 2.602 149 F HA 0.392 4.920 4.527 0.001 0.000 0.385 149 F C 1.337 176.948 175.800 -0.315 0.000 1.063 149 F CA 0.899 58.696 58.000 -0.338 0.000 1.233 149 F CB -0.101 38.851 39.000 -0.080 0.000 1.067 149 F HN 0.307 nan 8.300 nan 0.000 0.564 150 G N 4.623 112.599 108.800 -1.374 0.000 2.162 150 G HA2 -0.364 3.597 3.960 0.001 0.000 0.260 150 G HA3 -0.364 3.597 3.960 0.001 0.000 0.260 150 G C -0.003 174.228 174.900 -1.116 0.000 0.976 150 G CA 0.542 44.938 45.100 -1.173 0.000 0.655 150 G HN 0.780 nan 8.290 nan 0.000 0.533 151 Y N -1.331 118.524 120.300 -0.743 0.000 2.779 151 Y HA 0.411 4.962 4.550 0.001 0.000 0.251 151 Y C 1.825 177.413 175.900 -0.520 0.000 1.145 151 Y CA -0.757 57.031 58.100 -0.521 0.000 1.201 151 Y CB 0.054 38.287 38.460 -0.377 0.000 1.281 151 Y HN 0.199 nan 8.280 nan 0.000 0.563 152 Y N 0.203 120.317 120.300 -0.310 0.000 2.133 152 Y HA -0.204 4.347 4.550 0.001 0.000 0.287 152 Y C 1.923 177.598 175.900 -0.375 0.000 1.134 152 Y CA 1.438 59.290 58.100 -0.412 0.000 1.133 152 Y CB -0.541 37.459 38.460 -0.767 0.000 0.987 152 Y HN 0.078 nan 8.280 nan 0.000 0.502 153 D N 0.107 120.393 120.400 -0.191 0.000 2.092 153 D HA -0.188 4.453 4.640 0.001 0.000 0.193 153 D C 2.300 178.497 176.300 -0.172 0.000 0.994 153 D CA 1.447 55.366 54.000 -0.136 0.000 0.828 153 D CB -0.553 40.210 40.800 -0.061 0.000 0.963 153 D HN 0.238 nan 8.370 nan 0.000 0.450 154 I N 0.808 121.275 120.570 -0.172 0.000 2.194 154 I HA -0.286 3.884 4.170 0.001 0.000 0.246 154 I C 1.595 177.519 176.117 -0.322 0.000 1.093 154 I CA 1.280 62.469 61.300 -0.184 0.000 1.355 154 I CB -0.051 37.896 38.000 -0.087 0.000 1.046 154 I HN -0.005 nan 8.210 nan 0.000 0.413 155 D N 0.517 120.682 120.400 -0.391 0.000 2.137 155 D HA -0.042 4.598 4.640 0.001 0.000 0.202 155 D C 2.243 177.930 176.300 -1.021 0.000 0.970 155 D CA 1.327 54.871 54.000 -0.759 0.000 0.837 155 D CB -0.237 40.181 40.800 -0.636 0.000 0.981 155 D HN 0.298 nan 8.370 nan 0.000 0.475 156 A N 0.818 123.321 122.820 -0.528 0.000 1.908 156 A HA -0.260 4.061 4.320 0.001 0.000 0.218 156 A C 2.163 179.592 177.584 -0.258 0.000 1.181 156 A CA 1.829 53.693 52.037 -0.290 0.000 0.627 156 A CB -0.633 18.248 19.000 -0.198 0.000 0.818 156 A HN 0.101 nan 8.150 nan 0.000 0.445 157 Q N -0.389 119.244 119.800 -0.277 0.000 2.030 157 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 157 Q C 2.143 177.952 176.000 -0.319 0.000 0.986 157 Q CA 2.576 58.243 55.803 -0.227 0.000 0.843 157 Q CB -1.108 27.518 28.738 -0.186 0.000 0.904 157 Q HN 0.606 nan 8.270 nan 0.000 0.420 158 T N 0.492 114.732 114.554 -0.523 0.000 2.665 158 T HA -0.158 4.193 4.350 0.001 0.000 0.268 158 T C 1.330 175.519 174.700 -0.853 0.000 1.035 158 T CA 1.552 63.175 62.100 -0.796 0.000 1.151 158 T CB -0.430 67.840 68.868 -0.996 0.000 0.862 158 T HN 0.211 nan 8.240 nan 0.000 0.438 159 F N 1.634 121.267 119.950 -0.529 0.000 2.171 159 F HA 0.087 4.615 4.527 0.001 0.000 0.300 159 F C 2.618 178.351 175.800 -0.112 0.000 1.090 159 F CA 0.071 57.897 58.000 -0.288 0.000 1.293 159 F CB -1.422 37.480 39.000 -0.162 0.000 1.013 159 F HN 0.167 nan 8.300 nan 0.000 0.486 160 A N 0.082 122.931 122.820 0.047 0.000 1.872 160 A HA -0.138 4.183 4.320 0.001 0.000 0.214 160 A C 1.957 179.585 177.584 0.074 0.000 1.187 160 A CA 1.753 53.826 52.037 0.060 0.000 0.614 160 A CB -0.769 18.237 19.000 0.009 0.000 0.826 160 A HN 0.242 nan 8.150 nan 0.000 0.442 161 D N -1.083 119.321 120.400 0.005 0.000 2.219 161 D HA -0.138 4.503 4.640 0.001 0.000 0.205 161 D C 1.425 177.888 176.300 0.272 0.000 0.970 161 D CA 0.706 54.753 54.000 0.079 0.000 0.851 161 D CB -0.291 40.518 40.800 0.014 0.000 0.943 161 D HN 0.684 nan 8.370 nan 0.000 0.488 162 W N 0.480 121.832 121.300 0.086 0.000 2.584 162 W HA 0.231 4.892 4.660 0.001 0.000 0.264 162 W C 1.542 178.115 176.519 0.089 0.000 1.264 162 W CA 1.006 58.399 57.345 0.079 0.000 1.306 162 W CB -0.590 28.916 29.460 0.077 0.000 1.110 162 W HN 0.117 nan 8.180 nan 0.000 0.606 163 G N 0.040 109.039 108.800 0.331 0.000 2.142 163 G HA2 -0.226 3.735 3.960 0.001 0.000 0.225 163 G HA3 -0.226 3.735 3.960 0.001 0.000 0.225 163 G C -0.131 174.959 174.900 0.317 0.000 1.015 163 G CA -0.113 45.188 45.100 0.335 0.000 0.716 163 G HN -0.005 nan 8.290 nan 0.000 0.508 164 V N 0.828 120.890 119.914 0.248 0.000 2.637 164 V HA 0.254 4.375 4.120 0.001 0.000 0.296 164 V C 1.000 177.209 176.094 0.192 0.000 1.046 164 V CA 0.833 63.232 62.300 0.166 0.000 1.066 164 V CB 1.354 33.215 31.823 0.064 0.000 0.968 164 V HN 0.387 nan 8.190 nan 0.000 0.483 165 D N 3.276 123.814 120.400 0.230 0.000 2.449 165 D HA 0.233 4.873 4.640 0.001 0.000 0.210 165 D C 0.097 176.629 176.300 0.387 0.000 1.094 165 D CA 0.295 54.477 54.000 0.304 0.000 0.846 165 D CB 1.528 42.521 40.800 0.322 0.000 1.003 165 D HN 0.372 nan 8.370 nan 0.000 0.504 166 L N 0.824 122.226 121.223 0.300 0.000 2.434 166 L HA 0.498 4.838 4.340 0.001 0.000 0.260 166 L C -2.142 174.782 176.870 0.091 0.000 0.983 166 L CA -0.966 54.002 54.840 0.214 0.000 0.820 166 L CB 2.775 44.968 42.059 0.223 0.000 1.361 166 L HN -0.225 nan 8.230 nan 0.000 0.410 167 L N 3.725 125.006 121.223 0.096 0.000 2.376 167 L HA 0.508 4.849 4.340 0.001 0.000 0.275 167 L C -0.901 176.073 176.870 0.175 0.000 0.987 167 L CA -0.192 54.678 54.840 0.048 0.000 0.828 167 L CB 1.522 43.572 42.059 -0.015 0.000 1.249 167 L HN 0.620 nan 8.230 nan 0.000 0.409 168 K N 4.456 124.941 120.400 0.142 0.000 2.276 168 K HA 0.315 4.636 4.320 0.001 0.000 0.285 168 K C -1.595 175.139 176.600 0.223 0.000 1.062 168 K CA -0.357 56.045 56.287 0.192 0.000 0.918 168 K CB 0.514 33.130 32.500 0.192 0.000 1.055 168 K HN 0.551 nan 8.250 nan 0.000 0.477 169 F N 4.388 124.381 119.950 0.073 0.000 2.366 169 F HA 0.256 4.784 4.527 0.001 0.000 0.366 169 F C -0.159 175.687 175.800 0.076 0.000 1.096 169 F CA -1.240 56.778 58.000 0.031 0.000 1.060 169 F CB 0.753 39.889 39.000 0.228 0.000 1.282 169 F HN 0.609 nan 8.300 nan 0.000 0.450 170 D N 2.098 122.303 120.400 -0.325 0.000 2.466 170 D HA 0.549 5.190 4.640 0.001 0.000 0.262 170 D C 0.668 176.665 176.300 -0.505 0.000 1.177 170 D CA -0.112 53.778 54.000 -0.184 0.000 1.035 170 D CB 1.889 42.658 40.800 -0.052 0.000 1.105 170 D HN 0.644 nan 8.370 nan 0.000 0.551 171 G N -0.485 107.913 108.800 -0.670 0.000 3.979 171 G HA2 0.152 4.113 3.960 0.001 0.000 0.287 171 G HA3 0.152 4.113 3.960 0.001 0.000 0.287 171 G C 0.212 174.492 174.900 -1.034 0.000 1.011 171 G CA -0.098 44.386 45.100 -1.027 0.000 0.818 171 G HN 0.509 nan 8.290 nan 0.000 0.470 172 c N 0.379 118.627 118.600 -0.587 0.000 2.700 172 c HA 0.313 4.883 4.570 0.001 0.000 0.397 172 c C 0.615 174.644 174.090 -0.102 0.000 1.301 172 c CA 0.269 56.435 56.329 -0.271 0.000 2.219 172 c CB -0.895 41.585 42.510 -0.049 0.000 2.699 172 c HN 0.671 nan 8.230 nan 0.000 0.669 173 Y N -0.460 119.807 120.300 -0.054 0.000 2.988 173 Y HA -0.213 4.338 4.550 0.001 0.000 0.193 173 Y C 0.484 176.325 175.900 -0.098 0.000 1.388 173 Y CA 0.353 58.422 58.100 -0.052 0.000 0.904 173 Y CB -1.573 36.859 38.460 -0.046 0.000 1.297 173 Y HN 0.749 nan 8.280 nan 0.000 0.432 174 C N 1.556 120.847 119.300 -0.016 0.000 2.340 174 C HA 0.330 4.791 4.460 0.001 0.000 0.323 174 C C 1.804 176.757 174.990 -0.062 0.000 1.260 174 C CA -0.925 58.048 59.018 -0.074 0.000 1.464 174 C CB 0.475 28.155 27.740 -0.099 0.000 2.156 174 C HN 0.719 nan 8.230 nan 0.000 0.476 175 D N 1.975 122.294 120.400 -0.134 0.000 2.154 175 D HA -0.101 4.539 4.640 0.001 0.000 0.190 175 D C 1.026 177.276 176.300 -0.083 0.000 1.003 175 D CA 2.405 56.334 54.000 -0.118 0.000 0.849 175 D CB 0.224 40.907 40.800 -0.195 0.000 0.942 175 D HN 0.833 nan 8.370 nan 0.000 0.446 176 S N -2.548 113.075 115.700 -0.129 0.000 2.636 176 S HA 0.314 4.785 4.470 0.001 0.000 0.268 176 S C 0.515 174.959 174.600 -0.259 0.000 1.159 176 S CA -0.793 57.285 58.200 -0.203 0.000 0.815 176 S CB 0.754 63.859 63.200 -0.157 0.000 1.130 176 S HN -0.104 nan 8.310 nan 0.000 0.471 177 L N 1.345 122.318 121.223 -0.416 0.000 2.141 177 L HA 0.073 4.414 4.340 0.001 0.000 0.209 177 L C 2.625 179.414 176.870 -0.134 0.000 1.094 177 L CA 1.574 56.224 54.840 -0.317 0.000 0.763 177 L CB -1.235 40.581 42.059 -0.406 0.000 0.908 177 L HN 0.761 nan 8.230 nan 0.000 0.437 178 E N 0.475 120.597 120.200 -0.130 0.000 2.058 178 E HA -0.243 4.107 4.350 0.001 0.000 0.194 178 E C 1.838 178.403 176.600 -0.058 0.000 0.997 178 E CA 1.649 58.005 56.400 -0.073 0.000 0.801 178 E CB -0.687 28.973 29.700 -0.066 0.000 0.746 178 E HN 0.684 nan 8.360 nan 0.000 0.450 179 N N 0.575 119.235 118.700 -0.067 0.000 2.188 179 N HA -0.116 4.625 4.740 0.001 0.000 0.184 179 N C 2.004 177.482 175.510 -0.053 0.000 1.018 179 N CA 0.327 53.356 53.050 -0.034 0.000 0.858 179 N CB -0.055 38.379 38.487 -0.087 0.000 0.989 179 N HN -0.020 nan 8.380 nan 0.000 0.426 180 L N 1.378 122.556 121.223 -0.075 0.000 1.970 180 L HA -0.144 4.197 4.340 0.001 0.000 0.212 180 L C 2.237 179.002 176.870 -0.175 0.000 1.071 180 L CA 1.694 56.500 54.840 -0.056 0.000 0.751 180 L CB -0.697 41.385 42.059 0.038 0.000 0.889 180 L HN 0.069 nan 8.230 nan 0.000 0.432 181 A N -0.880 121.848 122.820 -0.154 0.000 1.858 181 A HA -0.254 4.067 4.320 0.001 0.000 0.216 181 A C 2.047 179.414 177.584 -0.361 0.000 1.190 181 A CA 1.943 53.809 52.037 -0.286 0.000 0.617 181 A CB -1.100 17.980 19.000 0.134 0.000 0.827 181 A HN 0.548 nan 8.150 nan 0.000 0.443 182 D N -0.474 119.816 120.400 -0.184 0.000 2.149 182 D HA -0.135 4.506 4.640 0.001 0.000 0.194 182 D C 2.009 178.182 176.300 -0.212 0.000 1.001 182 D CA 1.726 55.634 54.000 -0.154 0.000 0.849 182 D CB -0.609 40.168 40.800 -0.039 0.000 0.939 182 D HN 0.452 nan 8.370 nan 0.000 0.449 183 G N -1.194 107.468 108.800 -0.229 0.000 2.396 183 G HA2 -0.228 3.732 3.960 0.001 0.000 0.214 183 G HA3 -0.228 3.732 3.960 0.001 0.000 0.214 183 G C 1.425 176.017 174.900 -0.513 0.000 1.166 183 G CA 0.204 45.046 45.100 -0.430 0.000 0.793 183 G HN 0.259 nan 8.290 nan 0.000 0.533 184 Y N 1.320 121.332 120.300 -0.480 0.000 2.224 184 Y HA -0.054 4.497 4.550 0.001 0.000 0.289 184 Y C 2.881 178.534 175.900 -0.411 0.000 1.146 184 Y CA 1.606 59.432 58.100 -0.457 0.000 1.182 184 Y CB 0.096 37.833 38.460 -1.205 0.000 0.983 184 Y HN 0.130 nan 8.280 nan 0.000 0.524 185 K N -1.230 118.872 120.400 -0.496 0.000 2.062 185 K HA -0.180 4.141 4.320 0.001 0.000 0.205 185 K C 1.894 178.408 176.600 -0.142 0.000 1.051 185 K CA 1.412 57.398 56.287 -0.502 0.000 0.941 185 K CB -0.499 31.574 32.500 -0.712 0.000 0.719 185 K HN 0.482 nan 8.250 nan 0.000 0.440 186 H N 0.610 119.482 119.070 -0.330 0.000 2.265 186 H HA -0.190 4.366 4.556 0.001 0.000 0.295 186 H C 2.341 177.472 175.328 -0.329 0.000 1.084 186 H CA 1.830 57.686 56.048 -0.321 0.000 1.261 186 H CB 0.085 29.561 29.762 -0.476 0.000 1.360 186 H HN 0.006 nan 8.280 nan 0.000 0.487 187 M N 0.169 119.530 119.600 -0.399 0.000 2.144 187 M HA -0.199 4.282 4.480 0.001 0.000 0.260 187 M C 2.576 178.582 176.300 -0.489 0.000 1.067 187 M CA 1.800 56.804 55.300 -0.493 0.000 1.095 187 M CB -0.567 31.570 32.600 -0.771 0.000 1.365 187 M HN 0.208 nan 8.290 nan 0.000 0.406 188 S N -0.364 115.142 115.700 -0.322 0.000 2.365 188 S HA -0.166 4.305 4.470 0.001 0.000 0.225 188 S C 1.853 176.414 174.600 -0.064 0.000 1.039 188 S CA 1.814 59.909 58.200 -0.174 0.000 1.033 188 S CB -0.428 63.024 63.200 0.419 0.000 0.887 188 S HN 0.576 nan 8.310 nan 0.000 0.447 189 L N 1.120 122.359 121.223 0.026 0.000 2.056 189 L HA 0.028 4.369 4.340 0.001 0.000 0.207 189 L C 2.952 179.819 176.870 -0.006 0.000 1.078 189 L CA 1.212 56.074 54.840 0.037 0.000 0.749 189 L CB -0.702 41.398 42.059 0.068 0.000 0.901 189 L HN 0.396 nan 8.230 nan 0.000 0.433 190 A N 0.067 122.876 122.820 -0.019 0.000 1.908 190 A HA -0.186 4.135 4.320 0.001 0.000 0.218 190 A C 2.269 179.794 177.584 -0.098 0.000 1.181 190 A CA 1.718 53.724 52.037 -0.052 0.000 0.627 190 A CB -0.757 18.181 19.000 -0.104 0.000 0.818 190 A HN 0.374 nan 8.150 nan 0.000 0.445 191 L N -0.449 120.680 121.223 -0.155 0.000 2.072 191 L HA -0.144 4.197 4.340 0.001 0.000 0.205 191 L C 2.623 179.450 176.870 -0.071 0.000 1.079 191 L CA 1.259 56.016 54.840 -0.138 0.000 0.752 191 L CB -0.620 41.299 42.059 -0.232 0.000 0.906 191 L HN 0.545 nan 8.230 nan 0.000 0.436 192 N N 1.371 120.036 118.700 -0.058 0.000 2.069 192 N HA -0.271 4.470 4.740 0.001 0.000 0.191 192 N C 1.957 177.458 175.510 -0.015 0.000 1.031 192 N CA 1.504 54.543 53.050 -0.018 0.000 0.852 192 N CB -0.043 38.443 38.487 -0.003 0.000 1.018 192 N HN 0.229 nan 8.380 nan 0.000 0.423 193 R N 0.620 121.108 120.500 -0.021 0.000 2.357 193 R HA -0.026 4.315 4.340 0.001 0.000 0.202 193 R C 1.398 177.685 176.300 -0.022 0.000 1.047 193 R CA 1.350 57.441 56.100 -0.016 0.000 1.034 193 R CB -0.241 30.052 30.300 -0.011 0.000 0.875 193 R HN 0.340 nan 8.270 nan 0.000 0.473 194 T N -4.592 109.946 114.554 -0.026 0.000 3.081 194 T HA 0.216 4.567 4.350 0.001 0.000 0.255 194 T C 1.473 176.167 174.700 -0.009 0.000 1.113 194 T CA 0.501 62.585 62.100 -0.026 0.000 1.082 194 T CB 0.519 69.368 68.868 -0.032 0.000 0.939 194 T HN 0.361 nan 8.240 nan 0.000 0.506 195 G N 1.618 110.417 108.800 -0.002 0.000 2.320 195 G HA2 -0.295 3.666 3.960 0.001 0.000 0.242 195 G HA3 -0.295 3.666 3.960 0.001 0.000 0.242 195 G C 0.227 175.138 174.900 0.018 0.000 1.033 195 G CA 0.123 45.228 45.100 0.008 0.000 0.620 195 G HN 0.811 nan 8.290 nan 0.000 0.517 196 R N 1.216 121.729 120.500 0.022 0.000 2.357 196 R HA 0.541 4.882 4.340 0.001 0.000 0.296 196 R C -0.154 176.178 176.300 0.053 0.000 1.052 196 R CA -0.011 56.113 56.100 0.040 0.000 0.988 196 R CB 0.468 30.798 30.300 0.050 0.000 1.025 196 R HN 0.154 nan 8.270 nan 0.000 0.469 197 S N 5.119 120.860 115.700 0.069 0.000 2.414 197 S HA 0.258 4.729 4.470 0.001 0.000 0.290 197 S C -0.187 174.493 174.600 0.133 0.000 1.160 197 S CA -0.060 58.198 58.200 0.097 0.000 1.069 197 S CB -0.060 63.201 63.200 0.101 0.000 1.012 197 S HN 0.422 nan 8.310 nan 0.000 0.510 198 I N 3.686 124.334 120.570 0.131 0.000 2.497 198 I HA 0.205 4.376 4.170 0.001 0.000 0.284 198 I C -0.426 175.786 176.117 0.157 0.000 1.060 198 I CA -0.757 60.630 61.300 0.146 0.000 1.071 198 I CB 1.784 39.835 38.000 0.086 0.000 1.216 198 I HN 0.217 nan 8.210 nan 0.000 0.442 199 V N 6.336 126.365 119.914 0.192 0.000 2.540 199 V HA -0.070 4.051 4.120 0.001 0.000 0.297 199 V C -0.536 175.667 176.094 0.181 0.000 1.024 199 V CA 0.375 62.765 62.300 0.151 0.000 1.105 199 V CB 0.262 32.113 31.823 0.045 0.000 0.938 199 V HN 0.422 nan 8.190 nan 0.000 0.482 200 Y N 4.799 125.092 120.300 -0.011 0.000 2.328 200 Y HA 0.527 5.078 4.550 0.001 0.000 0.333 200 Y C 0.156 176.043 175.900 -0.022 0.000 0.958 200 Y CA -1.073 57.037 58.100 0.018 0.000 1.167 200 Y CB 1.656 40.162 38.460 0.076 0.000 1.151 200 Y HN 0.573 nan 8.280 nan 0.000 0.470 201 S N 6.407 122.089 115.700 -0.030 0.000 2.566 201 S HA 0.681 5.152 4.470 0.001 0.000 0.324 201 S C -1.114 173.524 174.600 0.063 0.000 1.081 201 S CA -0.382 57.782 58.200 -0.060 0.000 1.105 201 S CB -0.467 62.798 63.200 0.109 0.000 0.981 201 S HN 0.675 nan 8.310 nan 0.000 0.464 202 c N 3.918 122.581 118.600 0.105 0.000 2.435 202 c HA 0.572 5.143 4.570 0.001 0.000 0.333 202 c C 1.073 175.359 174.090 0.327 0.000 1.202 202 c CA -0.754 55.724 56.329 0.248 0.000 1.830 202 c CB 1.154 43.739 42.510 0.125 0.000 2.326 202 c HN 0.927 nan 8.230 nan 0.000 0.507 203 E N 0.293 120.718 120.200 0.375 0.000 2.499 203 E HA -0.034 4.317 4.350 0.001 0.000 0.199 203 E C 0.918 177.745 176.600 0.379 0.000 1.016 203 E CA -0.184 56.456 56.400 0.401 0.000 0.933 203 E CB 0.225 30.231 29.700 0.510 0.000 1.050 203 E HN 0.883 nan 8.360 nan 0.000 0.462 204 W N 3.212 124.313 121.300 -0.331 0.000 2.318 204 W HA -0.107 4.554 4.660 0.001 0.000 0.313 204 W C -1.290 175.099 176.519 -0.217 0.000 1.221 204 W CA 1.228 58.163 57.345 -0.684 0.000 1.266 204 W CB -1.387 27.288 29.460 -1.307 0.000 1.150 204 W HN 0.118 nan 8.180 nan 0.000 0.496 205 P HA -0.155 nan 4.420 nan 0.000 0.217 205 P C 1.973 179.377 177.300 0.174 0.000 1.151 205 P CA 1.476 64.472 63.100 -0.173 0.000 0.828 205 P CB -0.362 31.349 31.700 0.018 0.000 0.788 206 L N -0.997 120.414 121.223 0.313 0.000 2.012 206 L HA -0.180 4.160 4.340 0.001 0.000 0.210 206 L C 2.039 178.979 176.870 0.117 0.000 1.073 206 L CA 2.033 57.012 54.840 0.232 0.000 0.748 206 L CB -1.556 40.505 42.059 0.003 0.000 0.891 206 L HN -0.047 nan 8.230 nan 0.000 0.431 207 Y N -2.009 118.431 120.300 0.234 0.000 2.519 207 Y HA 0.005 4.556 4.550 0.002 0.000 0.287 207 Y C 2.382 178.478 175.900 0.327 0.000 1.128 207 Y CA 0.564 58.816 58.100 0.254 0.000 1.282 207 Y CB -0.217 38.390 38.460 0.246 0.000 1.027 207 Y HN 0.158 nan 8.280 nan 0.000 0.551 208 M N -1.798 118.012 119.600 0.350 0.000 2.193 208 M HA -0.119 4.362 4.480 0.001 0.000 0.265 208 M C 0.001 176.440 176.300 0.230 0.000 1.071 208 M CA 0.837 56.282 55.300 0.242 0.000 1.140 208 M CB -0.216 32.321 32.600 -0.105 0.000 1.369 208 M HN 0.198 nan 8.290 nan 0.000 0.423 209 W N 2.720 124.110 121.300 0.151 0.000 2.347 209 W HA 0.023 4.684 4.660 0.002 0.000 0.333 209 W C -2.245 174.293 176.519 0.031 0.000 1.383 209 W CA -1.238 56.173 57.345 0.110 0.000 1.283 209 W CB -0.193 29.333 29.460 0.110 0.000 1.253 209 W HN 0.051 nan 8.180 nan 0.000 0.563 210 P HA 0.238 nan 4.420 nan 0.000 0.301 210 P C -0.286 177.024 177.300 0.016 0.000 1.399 210 P CA -0.647 62.613 63.100 0.267 0.000 0.950 210 P CB 0.590 32.565 31.700 0.458 0.000 0.972 211 F N 0.861 120.872 119.950 0.103 0.000 2.146 211 F HA -0.063 4.465 4.527 0.001 0.000 0.298 211 F C 1.492 177.319 175.800 0.045 0.000 1.096 211 F CA 1.124 59.163 58.000 0.065 0.000 1.275 211 F CB 0.026 39.054 39.000 0.046 0.000 1.008 211 F HN 0.288 nan 8.300 nan 0.000 0.480 212 Q N -0.640 119.289 119.800 0.215 0.000 2.578 212 Q HA 0.273 4.613 4.340 0.001 0.000 0.284 212 Q C -1.280 174.624 176.000 -0.159 0.000 0.960 212 Q CA -1.141 54.695 55.803 0.054 0.000 0.809 212 Q CB 1.390 30.140 28.738 0.019 0.000 1.462 212 Q HN 0.011 nan 8.270 nan 0.000 0.392 213 K N 1.797 122.069 120.400 -0.213 0.000 2.491 213 K HA 0.117 4.438 4.320 0.001 0.000 0.279 213 K C -2.220 174.022 176.600 -0.597 0.000 1.026 213 K CA -0.735 55.228 56.287 -0.540 0.000 1.070 213 K CB -0.212 32.168 32.500 -0.201 0.000 0.887 213 K HN 0.376 nan 8.250 nan 0.000 0.481 214 P HA -0.045 nan 4.420 nan 0.000 0.269 214 P C -0.732 176.126 177.300 -0.736 0.000 1.209 214 P CA -0.224 62.311 63.100 -0.941 0.000 0.776 214 P CB 0.455 31.308 31.700 -1.411 0.000 0.876 215 N N 1.744 120.041 118.700 -0.671 0.000 2.500 215 N HA 0.077 4.818 4.740 0.001 0.000 0.236 215 N C 0.100 175.251 175.510 -0.598 0.000 1.022 215 N CA -0.134 52.642 53.050 -0.456 0.000 0.935 215 N CB -0.117 38.176 38.487 -0.323 0.000 1.147 215 N HN 0.263 nan 8.380 nan 0.000 0.512 216 Y N 1.590 121.663 120.300 -0.379 0.000 2.439 216 Y HA -0.076 4.474 4.550 0.001 0.000 0.292 216 Y C 2.122 177.760 175.900 -0.437 0.000 1.130 216 Y CA 1.033 58.845 58.100 -0.481 0.000 1.254 216 Y CB 0.096 38.370 38.460 -0.311 0.000 1.000 216 Y HN 0.479 nan 8.280 nan 0.000 0.554 217 T N -0.803 113.649 114.554 -0.171 0.000 2.821 217 T HA -0.178 4.173 4.350 0.001 0.000 0.267 217 T C 1.729 176.336 174.700 -0.155 0.000 1.046 217 T CA 1.326 63.345 62.100 -0.134 0.000 1.139 217 T CB -0.086 68.733 68.868 -0.082 0.000 0.871 217 T HN 0.413 nan 8.240 nan 0.000 0.454 218 E N 0.642 120.720 120.200 -0.203 0.000 2.072 218 E HA -0.068 4.283 4.350 0.001 0.000 0.191 218 E C 2.122 178.680 176.600 -0.070 0.000 0.985 218 E CA 0.807 57.155 56.400 -0.087 0.000 0.801 218 E CB -0.128 29.481 29.700 -0.151 0.000 0.750 218 E HN 0.493 nan 8.360 nan 0.000 0.452 219 I N 0.436 120.700 120.570 -0.510 0.000 2.202 219 I HA -0.232 3.939 4.170 0.001 0.000 0.242 219 I C 2.840 178.755 176.117 -0.337 0.000 1.091 219 I CA 0.748 61.682 61.300 -0.611 0.000 1.368 219 I CB -0.353 36.937 38.000 -1.182 0.000 1.058 219 I HN 0.046 nan 8.210 nan 0.000 0.410 220 R N 1.011 121.221 120.500 -0.483 0.000 2.117 220 R HA -0.249 4.092 4.340 0.001 0.000 0.243 220 R C 2.238 178.530 176.300 -0.014 0.000 1.143 220 R CA 1.808 57.809 56.100 -0.165 0.000 0.968 220 R CB -0.220 30.033 30.300 -0.078 0.000 0.863 220 R HN 0.497 nan 8.270 nan 0.000 0.444 221 Q N -1.417 118.339 119.800 -0.074 0.000 2.226 221 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 221 Q C 0.955 176.764 176.000 -0.318 0.000 0.975 221 Q CA 1.536 57.214 55.803 -0.208 0.000 0.866 221 Q CB 0.107 28.652 28.738 -0.322 0.000 0.915 221 Q HN 0.503 nan 8.270 nan 0.000 0.440 222 Y N -2.256 118.152 120.300 0.181 0.000 2.444 222 Y HA 0.175 4.726 4.550 0.001 0.000 0.252 222 Y C 0.462 176.579 175.900 0.362 0.000 1.091 222 Y CA -0.450 57.835 58.100 0.307 0.000 1.276 222 Y CB 1.089 39.816 38.460 0.446 0.000 1.170 222 Y HN -0.039 nan 8.280 nan 0.000 0.517 223 c N 0.252 119.082 118.600 0.384 0.000 2.482 223 c HA 0.222 4.793 4.570 0.001 0.000 0.317 223 c C 1.110 175.407 174.090 0.345 0.000 1.197 223 c CA -1.139 55.378 56.329 0.313 0.000 1.432 223 c CB 0.962 43.673 42.510 0.335 0.000 2.062 223 c HN 0.467 nan 8.230 nan 0.000 0.471 224 N N 0.414 119.220 118.700 0.177 0.000 2.309 224 N HA -0.034 4.707 4.740 0.001 0.000 0.182 224 N C -0.053 175.536 175.510 0.130 0.000 1.018 224 N CA 1.170 54.290 53.050 0.116 0.000 0.876 224 N CB 0.025 38.546 38.487 0.057 0.000 0.972 224 N HN 0.921 nan 8.380 nan 0.000 0.434 225 H N -3.369 115.844 119.070 0.237 0.000 3.003 225 H HA 0.494 5.051 4.556 0.001 0.000 0.327 225 H C -1.895 173.559 175.328 0.209 0.000 1.353 225 H CA -1.577 54.464 56.048 -0.010 0.000 1.142 225 H CB 0.111 29.910 29.762 0.061 0.000 1.864 225 H HN 0.143 nan 8.280 nan 0.000 0.529 226 W N -0.085 121.427 121.300 0.354 0.000 3.097 226 W HA 0.652 5.313 4.660 0.001 0.000 0.335 226 W C -1.225 175.456 176.519 0.270 0.000 1.114 226 W CA -1.251 56.250 57.345 0.260 0.000 1.231 226 W CB 1.244 30.823 29.460 0.198 0.000 1.388 226 W HN 0.412 nan 8.180 nan 0.000 0.485 227 R N 3.129 123.874 120.500 0.408 0.000 2.370 227 R HA 0.106 4.447 4.340 0.001 0.000 0.309 227 R C 0.413 176.923 176.300 0.350 0.000 1.059 227 R CA 0.028 56.306 56.100 0.298 0.000 0.981 227 R CB 0.570 31.012 30.300 0.237 0.000 0.972 227 R HN 0.678 nan 8.270 nan 0.000 0.437 228 N N 1.213 120.083 118.700 0.285 0.000 2.432 228 N HA 0.000 4.741 4.740 0.001 0.000 0.174 228 N C -0.020 175.415 175.510 -0.124 0.000 1.037 228 N CA 0.684 53.910 53.050 0.294 0.000 0.892 228 N CB 0.250 38.943 38.487 0.342 0.000 1.049 228 N HN 0.318 nan 8.380 nan 0.000 0.442 229 F N 0.481 120.132 119.950 -0.499 0.000 2.691 229 F HA 0.665 5.192 4.527 0.001 0.000 0.334 229 F C -0.844 174.731 175.800 -0.375 0.000 1.107 229 F CA -1.597 55.932 58.000 -0.786 0.000 0.991 229 F CB 0.603 38.905 39.000 -1.162 0.000 1.400 229 F HN -0.133 nan 8.300 nan 0.000 0.503 230 A N 1.859 123.847 122.820 -1.387 0.000 2.483 230 A HA 0.248 4.569 4.320 0.001 0.000 0.238 230 A C -0.625 176.636 177.584 -0.538 0.000 1.070 230 A CA -0.263 51.234 52.037 -0.901 0.000 0.770 230 A CB -0.451 17.951 19.000 -0.997 0.000 1.008 230 A HN 0.618 nan 8.150 nan 0.000 0.497 231 D N 0.794 121.031 120.400 -0.272 0.000 2.533 231 D HA 0.049 4.690 4.640 0.001 0.000 0.236 231 D C 0.443 176.706 176.300 -0.060 0.000 1.137 231 D CA 0.658 54.605 54.000 -0.088 0.000 0.867 231 D CB 0.203 41.013 40.800 0.017 0.000 1.170 231 D HN 0.487 nan 8.370 nan 0.000 0.474 232 I N 1.768 122.355 120.570 0.028 0.000 2.892 232 I HA -0.067 4.104 4.170 0.001 0.000 0.287 232 I C 0.545 176.689 176.117 0.046 0.000 1.205 232 I CA 0.394 61.728 61.300 0.056 0.000 1.409 232 I CB 0.462 38.531 38.000 0.115 0.000 1.367 232 I HN 0.468 nan 8.210 nan 0.000 0.597 233 D N 3.248 123.665 120.400 0.027 0.000 2.837 233 D HA 0.230 4.870 4.640 0.001 0.000 0.294 233 D C -1.245 175.067 176.300 0.019 0.000 1.158 233 D CA -0.588 53.423 54.000 0.018 0.000 1.073 233 D CB 0.295 41.100 40.800 0.009 0.000 1.419 233 D HN 0.256 nan 8.370 nan 0.000 0.584 234 D N -0.357 120.057 120.400 0.022 0.000 2.741 234 D HA 0.303 4.944 4.640 0.001 0.000 0.233 234 D C -1.077 175.261 176.300 0.063 0.000 1.160 234 D CA -0.118 53.908 54.000 0.042 0.000 1.003 234 D CB -0.653 40.192 40.800 0.075 0.000 1.064 234 D HN 0.460 nan 8.370 nan 0.000 0.503 235 S N 0.185 115.926 115.700 0.069 0.000 2.537 235 S HA 0.167 4.638 4.470 0.001 0.000 0.270 235 S C 0.787 175.486 174.600 0.166 0.000 1.142 235 S CA -1.046 57.219 58.200 0.108 0.000 0.870 235 S CB 0.704 63.949 63.200 0.074 0.000 1.112 235 S HN 0.383 nan 8.310 nan 0.000 0.466 236 W N 3.161 124.462 121.300 0.001 0.000 2.342 236 W HA -0.173 4.487 4.660 0.001 0.000 0.297 236 W C 1.634 178.168 176.519 0.026 0.000 1.213 236 W CA 1.783 59.130 57.345 0.003 0.000 1.251 236 W CB -0.120 29.339 29.460 -0.001 0.000 1.136 236 W HN 0.976 nan 8.180 nan 0.000 0.526 237 K N 0.415 120.773 120.400 -0.071 0.000 2.020 237 K HA -0.281 4.040 4.320 0.001 0.000 0.212 237 K C 2.418 178.935 176.600 -0.138 0.000 1.050 237 K CA 2.268 58.461 56.287 -0.156 0.000 0.929 237 K CB -0.658 31.819 32.500 -0.040 0.000 0.714 237 K HN 0.022 nan 8.250 nan 0.000 0.443 238 S N 0.237 115.910 115.700 -0.045 0.000 2.368 238 S HA -0.099 4.371 4.470 0.001 0.000 0.224 238 S C 1.945 176.572 174.600 0.045 0.000 1.029 238 S CA 1.216 59.424 58.200 0.013 0.000 0.988 238 S CB -0.263 62.953 63.200 0.027 0.000 0.838 238 S HN 0.352 nan 8.310 nan 0.000 0.462 239 I N 1.046 121.612 120.570 -0.008 0.000 2.127 239 I HA -0.235 3.936 4.170 0.001 0.000 0.241 239 I C 2.592 178.643 176.117 -0.111 0.000 1.075 239 I CA 1.546 62.854 61.300 0.013 0.000 1.334 239 I CB -0.276 37.755 38.000 0.052 0.000 1.040 239 I HN 0.268 nan 8.210 nan 0.000 0.405 240 K N 0.447 120.577 120.400 -0.450 0.000 2.063 240 K HA -0.210 4.110 4.320 0.001 0.000 0.208 240 K C 2.285 178.803 176.600 -0.136 0.000 1.048 240 K CA 1.957 57.976 56.287 -0.447 0.000 0.928 240 K CB -0.313 31.795 32.500 -0.653 0.000 0.713 240 K HN 0.365 nan 8.250 nan 0.000 0.442 241 S N 0.709 116.385 115.700 -0.042 0.000 2.402 241 S HA -0.105 4.366 4.470 0.001 0.000 0.229 241 S C 1.964 176.657 174.600 0.155 0.000 1.021 241 S CA 0.936 59.193 58.200 0.095 0.000 0.974 241 S CB -0.376 62.936 63.200 0.187 0.000 0.800 241 S HN 0.244 nan 8.310 nan 0.000 0.484 242 I N 0.907 121.643 120.570 0.277 0.000 2.353 242 I HA -0.080 4.090 4.170 0.001 0.000 0.248 242 I C 2.381 178.586 176.117 0.146 0.000 1.119 242 I CA 0.887 62.349 61.300 0.270 0.000 1.417 242 I CB -0.328 37.915 38.000 0.405 0.000 1.078 242 I HN 0.294 nan 8.210 nan 0.000 0.421 243 L N 0.326 121.624 121.223 0.125 0.000 2.005 243 L HA -0.200 4.140 4.340 0.001 0.000 0.207 243 L C 2.149 179.160 176.870 0.235 0.000 1.072 243 L CA 1.295 56.222 54.840 0.146 0.000 0.744 243 L CB -0.641 41.454 42.059 0.060 0.000 0.895 243 L HN 0.216 nan 8.230 nan 0.000 0.433 244 D N -0.965 119.508 120.400 0.121 0.000 2.178 244 D HA -0.232 4.409 4.640 0.001 0.000 0.201 244 D C 1.691 177.989 176.300 -0.003 0.000 0.980 244 D CA 0.976 55.016 54.000 0.068 0.000 0.842 244 D CB -0.232 40.564 40.800 -0.008 0.000 0.948 244 D HN 0.409 nan 8.370 nan 0.000 0.472 245 W N 1.688 122.821 121.300 -0.279 0.000 2.378 245 W HA -0.194 4.466 4.660 0.001 0.000 0.313 245 W C 2.225 178.631 176.519 -0.189 0.000 1.197 245 W CA 2.111 59.178 57.345 -0.463 0.000 1.304 245 W CB -0.455 28.244 29.460 -1.269 0.000 1.148 245 W HN -0.166 nan 8.180 nan 0.000 0.494 246 T N -0.384 114.219 114.554 0.081 0.000 2.674 246 T HA -0.255 4.096 4.350 0.001 0.000 0.265 246 T C 1.959 176.629 174.700 -0.050 0.000 1.039 246 T CA 1.799 63.929 62.100 0.050 0.000 1.150 246 T CB -1.094 67.943 68.868 0.281 0.000 0.864 246 T HN 0.188 nan 8.240 nan 0.000 0.427 247 S N 0.622 116.374 115.700 0.086 0.000 2.389 247 S HA -0.201 4.269 4.470 0.001 0.000 0.229 247 S C 1.701 176.222 174.600 -0.132 0.000 1.048 247 S CA 1.706 59.861 58.200 -0.075 0.000 1.117 247 S CB -0.704 62.549 63.200 0.088 0.000 1.020 247 S HN 0.439 nan 8.310 nan 0.000 0.430 248 F N 2.394 122.178 119.950 -0.278 0.000 2.154 248 F HA -0.058 4.470 4.527 0.001 0.000 0.301 248 F C 1.825 177.396 175.800 -0.381 0.000 1.087 248 F CA 1.627 59.433 58.000 -0.324 0.000 1.274 248 F CB -0.178 38.596 39.000 -0.377 0.000 1.009 248 F HN 0.288 nan 8.300 nan 0.000 0.485 249 N N 0.107 118.505 118.700 -0.502 0.000 2.238 249 N HA -0.002 4.739 4.740 0.001 0.000 0.222 249 N C 1.508 176.788 175.510 -0.383 0.000 1.133 249 N CA 0.399 53.103 53.050 -0.577 0.000 0.854 249 N CB 0.103 37.995 38.487 -0.992 0.000 1.041 249 N HN 0.606 nan 8.380 nan 0.000 0.510 250 Q N 0.423 120.043 119.800 -0.301 0.000 2.167 250 Q HA -0.056 4.285 4.340 0.001 0.000 0.202 250 Q C 1.062 176.965 176.000 -0.162 0.000 0.970 250 Q CA 1.203 56.895 55.803 -0.184 0.000 0.855 250 Q CB -0.142 28.506 28.738 -0.150 0.000 0.911 250 Q HN 0.079 nan 8.270 nan 0.000 0.438 251 E N 0.825 120.905 120.200 -0.199 0.000 2.265 251 E HA -0.146 4.204 4.350 0.001 0.000 0.196 251 E C 1.865 178.388 176.600 -0.128 0.000 0.996 251 E CA 1.097 57.396 56.400 -0.167 0.000 0.832 251 E CB 0.111 29.698 29.700 -0.188 0.000 0.756 251 E HN 0.417 nan 8.360 nan 0.000 0.491 252 R N 0.052 120.473 120.500 -0.131 0.000 2.282 252 R HA 0.102 4.443 4.340 0.001 0.000 0.195 252 R C 1.717 177.933 176.300 -0.140 0.000 0.909 252 R CA 0.583 56.635 56.100 -0.079 0.000 1.039 252 R CB 0.228 30.523 30.300 -0.007 0.000 1.015 252 R HN 0.327 nan 8.270 nan 0.000 0.513 253 I N -2.703 117.763 120.570 -0.173 0.000 4.312 253 I HA 0.175 4.346 4.170 0.001 0.000 0.324 253 I C 1.688 177.769 176.117 -0.060 0.000 1.298 253 I CA -0.055 61.111 61.300 -0.222 0.000 1.231 253 I CB 0.484 38.359 38.000 -0.208 0.000 1.152 253 I HN -0.066 nan 8.210 nan 0.000 0.421 254 V N 0.200 120.099 119.914 -0.024 0.000 2.548 254 V HA -0.105 4.016 4.120 0.001 0.000 0.249 254 V C 1.743 177.871 176.094 0.056 0.000 1.055 254 V CA 2.049 64.377 62.300 0.047 0.000 1.065 254 V CB -0.713 31.168 31.823 0.098 0.000 0.681 254 V HN 0.321 nan 8.190 nan 0.000 0.462 255 D N 0.777 121.189 120.400 0.019 0.000 2.347 255 D HA -0.003 4.638 4.640 0.001 0.000 0.213 255 D C 2.127 178.448 176.300 0.035 0.000 0.985 255 D CA 1.574 55.589 54.000 0.024 0.000 0.879 255 D CB 0.516 41.316 40.800 -0.001 0.000 0.919 255 D HN 0.655 nan 8.370 nan 0.000 0.526 256 V N -1.478 118.470 119.914 0.056 0.000 3.129 256 V HA 0.285 4.405 4.120 0.001 0.000 0.259 256 V C 1.042 177.229 176.094 0.155 0.000 1.116 256 V CA 0.169 62.529 62.300 0.101 0.000 1.127 256 V CB -0.665 31.236 31.823 0.130 0.000 0.742 256 V HN 0.016 nan 8.190 nan 0.000 0.474 257 A N 0.198 123.095 122.820 0.129 0.000 2.388 257 A HA 0.773 5.093 4.320 0.001 0.000 0.257 257 A C 0.514 178.035 177.584 -0.105 0.000 1.095 257 A CA 0.567 52.618 52.037 0.023 0.000 0.791 257 A CB -0.038 19.035 19.000 0.121 0.000 1.029 257 A HN 1.466 nan 8.150 nan 0.000 0.489 258 G N 0.880 109.398 108.800 -0.471 0.000 2.349 258 G HA2 0.496 4.457 3.960 0.001 0.000 0.294 258 G HA3 0.496 4.457 3.960 0.001 0.000 0.294 258 G C -3.492 170.807 174.900 -1.003 0.000 1.380 258 G CA -0.847 43.972 45.100 -0.468 0.000 0.811 258 G HN 0.447 nan 8.290 nan 0.000 0.519 259 P HA 0.234 nan 4.420 nan 0.000 0.257 259 P C 1.079 178.194 177.300 -0.309 0.000 1.162 259 P CA 2.489 65.469 63.100 -0.200 0.000 0.762 259 P CB 0.549 32.269 31.700 0.032 0.000 0.753 260 G N 2.388 111.024 108.800 -0.273 0.000 2.232 260 G HA2 -0.055 3.906 3.960 0.001 0.000 0.226 260 G HA3 -0.055 3.906 3.960 0.001 0.000 0.226 260 G C 0.298 175.072 174.900 -0.210 0.000 0.996 260 G CA -0.297 44.724 45.100 -0.132 0.000 0.626 260 G HN 0.931 nan 8.290 nan 0.000 0.509 261 G N -0.672 107.752 108.800 -0.626 0.000 2.413 261 G HA2 0.517 4.477 3.960 0.001 0.000 0.285 261 G HA3 0.517 4.477 3.960 0.001 0.000 0.285 261 G C -0.876 173.514 174.900 -0.851 0.000 1.337 261 G CA -0.436 44.465 45.100 -0.330 0.000 1.324 261 G HN 0.496 nan 8.290 nan 0.000 0.611 262 W N 1.270 122.288 121.300 -0.471 0.000 2.689 262 W HA 0.481 5.142 4.660 0.001 0.000 0.340 262 W C 0.201 176.020 176.519 -1.166 0.000 1.060 262 W CA -1.125 55.876 57.345 -0.574 0.000 1.218 262 W CB 1.549 30.841 29.460 -0.280 0.000 1.410 262 W HN 0.255 nan 8.180 nan 0.000 0.528 263 N N 2.213 120.623 118.700 -0.483 0.000 2.497 263 N HA -0.006 4.735 4.740 0.001 0.000 0.268 263 N C -1.107 174.261 175.510 -0.236 0.000 1.171 263 N CA 0.327 53.116 53.050 -0.435 0.000 0.948 263 N CB 0.979 39.444 38.487 -0.036 0.000 1.069 263 N HN 0.406 nan 8.380 nan 0.000 0.460 264 D N 2.354 122.658 120.400 -0.161 0.000 2.461 264 D HA 0.246 4.886 4.640 0.001 0.000 0.240 264 D C -2.023 174.293 176.300 0.027 0.000 1.094 264 D CA -2.054 51.931 54.000 -0.025 0.000 0.868 264 D CB 1.284 42.145 40.800 0.101 0.000 1.062 264 D HN 0.245 nan 8.370 nan 0.000 0.530 265 P HA 0.177 nan 4.420 nan 0.000 0.256 265 P C -0.386 177.043 177.300 0.215 0.000 1.384 265 P CA -0.077 62.974 63.100 -0.081 0.000 0.879 265 P CB 0.244 31.578 31.700 -0.609 0.000 1.403 266 D N -1.175 119.388 120.400 0.270 0.000 7.203 266 D HA -0.136 4.505 4.640 0.001 0.000 0.324 266 D C -0.172 176.419 176.300 0.485 0.000 2.597 266 D CA 0.140 54.337 54.000 0.329 0.000 1.714 266 D CB -0.847 40.096 40.800 0.239 0.000 1.143 266 D HN -0.086 nan 8.370 nan 0.000 1.213 267 M N 0.437 120.226 119.600 0.314 0.000 2.250 267 M HA 0.175 4.656 4.480 0.001 0.000 0.325 267 M C 0.266 176.595 176.300 0.047 0.000 1.084 267 M CA 0.098 55.531 55.300 0.223 0.000 1.161 267 M CB 0.203 32.865 32.600 0.103 0.000 1.481 267 M HN 0.201 nan 8.290 nan 0.000 0.449 268 L N 2.498 123.681 121.223 -0.065 0.000 2.410 268 L HA 0.097 4.438 4.340 0.001 0.000 0.273 268 L C 0.743 177.499 176.870 -0.190 0.000 1.152 268 L CA -0.502 54.183 54.840 -0.259 0.000 0.855 268 L CB 0.168 42.112 42.059 -0.192 0.000 1.129 268 L HN 0.659 nan 8.230 nan 0.000 0.463 269 V N 1.368 121.149 119.914 -0.223 0.000 3.085 269 V HA 0.326 4.447 4.120 0.001 0.000 0.345 269 V C 0.602 176.607 176.094 -0.150 0.000 1.397 269 V CA -0.360 61.846 62.300 -0.157 0.000 1.165 269 V CB -0.433 31.324 31.823 -0.110 0.000 1.153 269 V HN 0.523 nan 8.190 nan 0.000 0.495 270 I N 2.367 122.842 120.570 -0.158 0.000 2.692 270 I HA 0.552 4.723 4.170 0.001 0.000 0.284 270 I C 1.541 177.600 176.117 -0.097 0.000 1.159 270 I CA 1.436 62.669 61.300 -0.112 0.000 1.423 270 I CB 0.756 38.700 38.000 -0.092 0.000 1.380 270 I HN 0.483 nan 8.210 nan 0.000 0.580 271 G N 3.615 112.361 108.800 -0.091 0.000 2.218 271 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 271 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 271 G C 0.381 175.112 174.900 -0.282 0.000 0.994 271 G CA -0.272 44.760 45.100 -0.113 0.000 0.637 271 G HN 0.561 nan 8.290 nan 0.000 0.505 272 N N -0.500 117.993 118.700 -0.345 0.000 2.737 272 N HA 0.700 5.440 4.740 0.001 0.000 0.292 272 N C 0.914 175.972 175.510 -0.753 0.000 1.367 272 N CA 0.441 53.083 53.050 -0.679 0.000 0.818 272 N CB -0.255 38.064 38.487 -0.279 0.000 1.109 272 N HN 0.128 nan 8.380 nan 0.000 0.466 273 F N -1.505 118.428 119.950 -0.028 0.000 2.834 273 F HA 0.406 4.934 4.527 0.001 0.000 0.332 273 F C 1.861 177.656 175.800 -0.009 0.000 1.056 273 F CA -0.339 57.650 58.000 -0.020 0.000 1.178 273 F CB 0.196 39.175 39.000 -0.035 0.000 1.037 273 F HN 0.424 nan 8.300 nan 0.000 0.580 274 G N 0.635 109.533 108.800 0.164 0.000 2.921 274 G HA2 0.285 4.246 3.960 0.001 0.000 0.213 274 G HA3 0.285 4.246 3.960 0.001 0.000 0.213 274 G C 0.405 175.358 174.900 0.089 0.000 1.143 274 G CA 0.069 45.244 45.100 0.125 0.000 0.764 274 G HN 0.035 nan 8.290 nan 0.000 0.542 275 L N 2.185 123.441 121.223 0.055 0.000 2.309 275 L HA 0.414 4.755 4.340 0.001 0.000 0.282 275 L C 0.748 177.618 176.870 0.001 0.000 1.036 275 L CA -0.788 54.067 54.840 0.026 0.000 0.806 275 L CB 1.876 43.932 42.059 -0.005 0.000 1.220 275 L HN 0.152 nan 8.230 nan 0.000 0.429 276 S N 1.934 117.610 115.700 -0.040 0.000 2.600 276 S HA -0.008 4.463 4.470 0.001 0.000 0.265 276 S C 1.058 175.657 174.600 -0.001 0.000 1.325 276 S CA -0.602 57.585 58.200 -0.022 0.000 1.002 276 S CB 0.749 63.903 63.200 -0.077 0.000 0.921 276 S HN 0.897 nan 8.310 nan 0.000 0.554 277 W N 3.041 124.288 121.300 -0.089 0.000 2.304 277 W HA -0.275 4.386 4.660 0.001 0.000 0.315 277 W C 1.492 177.953 176.519 -0.098 0.000 1.233 277 W CA 2.047 59.345 57.345 -0.078 0.000 1.261 277 W CB -0.753 28.671 29.460 -0.060 0.000 1.150 277 W HN 0.765 nan 8.180 nan 0.000 0.494 278 N N 0.461 119.008 118.700 -0.254 0.000 2.084 278 N HA -0.217 4.524 4.740 0.001 0.000 0.190 278 N C 1.786 177.026 175.510 -0.450 0.000 1.030 278 N CA 2.085 54.889 53.050 -0.410 0.000 0.849 278 N CB -0.766 37.593 38.487 -0.214 0.000 1.012 278 N HN 0.454 nan 8.380 nan 0.000 0.423 279 Q N 0.781 120.315 119.800 -0.442 0.000 2.181 279 Q HA -0.144 4.196 4.340 0.001 0.000 0.205 279 Q C 1.992 177.851 176.000 -0.235 0.000 0.980 279 Q CA 1.170 56.722 55.803 -0.418 0.000 0.862 279 Q CB -0.075 28.427 28.738 -0.392 0.000 0.905 279 Q HN 0.481 nan 8.270 nan 0.000 0.429 280 Q N -0.101 119.532 119.800 -0.279 0.000 2.079 280 Q HA -0.125 4.216 4.340 0.001 0.000 0.200 280 Q C 2.377 178.146 176.000 -0.385 0.000 0.974 280 Q CA 1.542 57.175 55.803 -0.282 0.000 0.840 280 Q CB -0.248 28.354 28.738 -0.226 0.000 0.898 280 Q HN 0.373 nan 8.270 nan 0.000 0.430 281 V N 0.160 119.711 119.914 -0.605 0.000 2.407 281 V HA -0.250 3.871 4.120 0.001 0.000 0.248 281 V C 1.847 177.774 176.094 -0.278 0.000 1.055 281 V CA 2.423 64.420 62.300 -0.505 0.000 1.049 281 V CB -0.722 30.726 31.823 -0.626 0.000 0.662 281 V HN 0.356 nan 8.190 nan 0.000 0.455 282 T N 0.078 114.492 114.554 -0.232 0.000 2.652 282 T HA -0.292 4.059 4.350 0.001 0.000 0.267 282 T C 1.856 176.523 174.700 -0.055 0.000 1.039 282 T CA 2.390 64.438 62.100 -0.088 0.000 1.153 282 T CB -0.378 68.509 68.868 0.031 0.000 0.863 282 T HN 0.713 nan 8.240 nan 0.000 0.428 283 Q N -0.253 119.479 119.800 -0.113 0.000 2.050 283 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 283 Q C 2.337 178.215 176.000 -0.203 0.000 0.980 283 Q CA 1.523 57.176 55.803 -0.250 0.000 0.840 283 Q CB -0.181 28.267 28.738 -0.484 0.000 0.898 283 Q HN 0.366 nan 8.270 nan 0.000 0.424 284 M N 0.253 119.749 119.600 -0.174 0.000 2.067 284 M HA -0.131 4.350 4.480 0.001 0.000 0.260 284 M C 2.006 178.304 176.300 -0.004 0.000 1.069 284 M CA 2.045 57.297 55.300 -0.080 0.000 1.117 284 M CB -0.627 31.918 32.600 -0.090 0.000 1.334 284 M HN 0.271 nan 8.290 nan 0.000 0.407 285 A N -0.466 122.328 122.820 -0.044 0.000 1.892 285 A HA -0.185 4.135 4.320 0.001 0.000 0.218 285 A C 2.123 179.706 177.584 -0.002 0.000 1.188 285 A CA 2.061 54.081 52.037 -0.029 0.000 0.631 285 A CB -1.146 17.818 19.000 -0.061 0.000 0.822 285 A HN 0.535 nan 8.150 nan 0.000 0.447 286 L N -2.488 118.746 121.223 0.018 0.000 2.341 286 L HA -0.024 4.317 4.340 0.001 0.000 0.214 286 L C 2.264 179.196 176.870 0.105 0.000 1.115 286 L CA 0.525 55.343 54.840 -0.037 0.000 0.820 286 L CB -0.204 41.737 42.059 -0.197 0.000 0.944 286 L HN 0.600 nan 8.230 nan 0.000 0.452 287 W N -0.864 120.362 121.300 -0.122 0.000 2.584 287 W HA -0.036 4.625 4.660 0.001 0.000 0.264 287 W C 2.276 178.739 176.519 -0.094 0.000 1.264 287 W CA 0.546 57.839 57.345 -0.088 0.000 1.306 287 W CB 0.148 29.570 29.460 -0.063 0.000 1.110 287 W HN 0.206 nan 8.180 nan 0.000 0.606 288 A N 0.325 123.214 122.820 0.115 0.000 1.872 288 A HA -0.157 4.164 4.320 0.001 0.000 0.214 288 A C 1.756 179.334 177.584 -0.011 0.000 1.187 288 A CA 1.080 53.129 52.037 0.019 0.000 0.614 288 A CB -0.819 18.189 19.000 0.014 0.000 0.826 288 A HN 0.049 nan 8.150 nan 0.000 0.442 289 I N -0.285 120.285 120.570 -0.001 0.000 2.226 289 I HA -0.206 3.965 4.170 0.001 0.000 0.245 289 I C 2.310 178.442 176.117 0.024 0.000 1.100 289 I CA 1.507 62.817 61.300 0.016 0.000 1.374 289 I CB -1.101 36.922 38.000 0.038 0.000 1.057 289 I HN 0.362 nan 8.210 nan 0.000 0.413 290 M N 0.085 119.671 119.600 -0.024 0.000 2.659 290 M HA 0.095 4.576 4.480 0.001 0.000 0.243 290 M C 1.126 177.394 176.300 -0.054 0.000 1.111 290 M CA 0.559 55.835 55.300 -0.039 0.000 1.070 290 M CB -0.121 32.368 32.600 -0.186 0.000 1.525 290 M HN 0.303 nan 8.290 nan 0.000 0.517 291 A N 0.766 123.538 122.820 -0.080 0.000 2.783 291 A HA -0.132 4.188 4.320 0.001 0.000 0.292 291 A C 0.541 177.971 177.584 -0.257 0.000 1.495 291 A CA 0.550 52.492 52.037 -0.158 0.000 0.787 291 A CB -2.239 16.752 19.000 -0.015 0.000 1.017 291 A HN 0.653 nan 8.150 nan 0.000 0.516 292 A N -0.208 122.464 122.820 -0.246 0.000 2.425 292 A HA 0.615 4.936 4.320 0.001 0.000 0.249 292 A C -1.562 175.845 177.584 -0.294 0.000 1.084 292 A CA -0.968 50.904 52.037 -0.276 0.000 0.781 292 A CB -0.015 18.738 19.000 -0.411 0.000 1.019 292 A HN 0.381 nan 8.150 nan 0.000 0.490 293 P HA 0.200 nan 4.420 nan 0.000 0.270 293 P C -0.804 176.353 177.300 -0.239 0.000 1.223 293 P CA 0.142 62.965 63.100 -0.462 0.000 0.785 293 P CB 0.375 31.732 31.700 -0.571 0.000 0.923 294 L N 2.708 123.716 121.223 -0.357 0.000 2.387 294 L HA 0.382 4.722 4.340 0.001 0.000 0.259 294 L C -0.580 176.220 176.870 -0.117 0.000 1.050 294 L CA -0.299 54.505 54.840 -0.061 0.000 0.922 294 L CB -0.233 41.846 42.059 0.032 0.000 1.280 294 L HN 0.298 nan 8.230 nan 0.000 0.449 295 F N 2.229 122.273 119.950 0.158 0.000 2.313 295 F HA 0.397 4.925 4.527 0.001 0.000 0.369 295 F C 0.780 176.583 175.800 0.005 0.000 1.109 295 F CA -0.555 57.517 58.000 0.121 0.000 1.132 295 F CB 0.980 40.034 39.000 0.091 0.000 1.291 295 F HN 0.312 nan 8.300 nan 0.000 0.496 296 M N 2.463 122.113 119.600 0.083 0.000 2.252 296 M HA 0.069 4.550 4.480 0.001 0.000 0.348 296 M C 0.331 176.425 176.300 -0.343 0.000 1.334 296 M CA 0.511 55.733 55.300 -0.131 0.000 1.071 296 M CB 0.663 33.120 32.600 -0.238 0.000 1.763 296 M HN 0.480 nan 8.290 nan 0.000 0.452 297 S N 4.095 119.599 115.700 -0.327 0.000 2.733 297 S HA 0.615 5.085 4.470 0.001 0.000 0.307 297 S C -1.174 173.277 174.600 -0.249 0.000 1.127 297 S CA -0.757 57.160 58.200 -0.473 0.000 1.097 297 S CB 0.148 63.175 63.200 -0.288 0.000 1.003 297 S HN 0.874 nan 8.310 nan 0.000 0.477 298 N N 2.104 120.746 118.700 -0.097 0.000 3.339 298 N HA 0.314 5.055 4.740 0.001 0.000 0.275 298 N C -2.285 173.475 175.510 0.416 0.000 1.514 298 N CA -0.710 52.382 53.050 0.070 0.000 0.879 298 N CB 0.503 38.973 38.487 -0.028 0.000 1.557 298 N HN 0.273 nan 8.380 nan 0.000 0.524 299 D N 0.196 120.746 120.400 0.251 0.000 2.460 299 D HA 0.336 4.976 4.640 0.001 0.000 0.232 299 D C 0.332 176.701 176.300 0.115 0.000 1.079 299 D CA -0.494 53.706 54.000 0.332 0.000 0.864 299 D CB 0.650 41.664 40.800 0.356 0.000 1.048 299 D HN 0.446 nan 8.370 nan 0.000 0.523 300 L N 3.552 124.771 121.223 -0.007 0.000 2.353 300 L HA 0.014 4.354 4.340 0.001 0.000 0.220 300 L C 2.130 178.958 176.870 -0.069 0.000 1.133 300 L CA 1.106 55.879 54.840 -0.112 0.000 0.798 300 L CB -0.540 41.317 42.059 -0.338 0.000 0.922 300 L HN 0.395 nan 8.230 nan 0.000 0.445 301 R N -1.322 119.077 120.500 -0.168 0.000 2.189 301 R HA -0.004 4.336 4.340 0.001 0.000 0.218 301 R C -0.043 175.939 176.300 -0.531 0.000 1.074 301 R CA 0.683 56.556 56.100 -0.379 0.000 0.991 301 R CB -0.124 29.837 30.300 -0.565 0.000 0.883 301 R HN 0.461 nan 8.270 nan 0.000 0.457 302 H N -0.567 118.535 119.070 0.054 0.000 2.538 302 H HA 0.372 4.929 4.556 0.001 0.000 0.239 302 H C -1.318 174.018 175.328 0.013 0.000 1.401 302 H CA -0.304 55.768 56.048 0.039 0.000 1.499 302 H CB 0.967 30.759 29.762 0.049 0.000 1.624 302 H HN -0.004 nan 8.280 nan 0.000 0.524 303 I N 1.934 122.566 120.570 0.103 0.000 2.619 303 I HA 0.344 4.514 4.170 0.001 0.000 0.292 303 I C -0.159 176.007 176.117 0.081 0.000 1.100 303 I CA -0.735 60.613 61.300 0.081 0.000 1.043 303 I CB 1.521 39.600 38.000 0.132 0.000 1.239 303 I HN 0.512 nan 8.210 nan 0.000 0.420 304 S N 6.125 121.857 115.700 0.053 0.000 2.585 304 S HA 0.340 4.810 4.470 0.001 0.000 0.273 304 S C -1.959 172.671 174.600 0.051 0.000 1.339 304 S CA -0.794 57.430 58.200 0.041 0.000 1.028 304 S CB 0.897 64.109 63.200 0.021 0.000 0.906 304 S HN 0.513 nan 8.310 nan 0.000 0.528 305 P HA -0.181 nan 4.420 nan 0.000 0.218 305 P C 1.610 178.916 177.300 0.009 0.000 1.146 305 P CA 1.245 64.348 63.100 0.005 0.000 0.813 305 P CB -0.049 31.638 31.700 -0.022 0.000 0.778 306 Q N -0.823 118.980 119.800 0.004 0.000 2.123 306 Q HA 0.030 4.371 4.340 0.001 0.000 0.196 306 Q C 2.130 178.252 176.000 0.204 0.000 0.958 306 Q CA 1.409 57.223 55.803 0.019 0.000 0.841 306 Q CB -1.346 27.288 28.738 -0.173 0.000 0.915 306 Q HN 0.091 nan 8.270 nan 0.000 0.455 307 A N 2.678 125.611 122.820 0.188 0.000 1.869 307 A HA -0.296 4.025 4.320 0.001 0.000 0.218 307 A C 2.262 179.975 177.584 0.216 0.000 1.203 307 A CA 2.453 54.605 52.037 0.192 0.000 0.638 307 A CB -0.794 18.278 19.000 0.119 0.000 0.831 307 A HN 0.452 nan 8.150 nan 0.000 0.450 308 K N -0.649 119.874 120.400 0.206 0.000 1.991 308 K HA -0.155 4.166 4.320 0.001 0.000 0.212 308 K C 2.249 178.882 176.600 0.055 0.000 1.049 308 K CA 1.579 57.969 56.287 0.172 0.000 0.932 308 K CB -0.454 32.084 32.500 0.062 0.000 0.717 308 K HN 0.381 nan 8.250 nan 0.000 0.441 309 A N 1.846 124.695 122.820 0.049 0.000 1.892 309 A HA -0.217 4.104 4.320 0.001 0.000 0.218 309 A C 2.217 179.866 177.584 0.108 0.000 1.188 309 A CA 1.696 53.760 52.037 0.044 0.000 0.631 309 A CB -0.856 18.170 19.000 0.044 0.000 0.822 309 A HN 0.478 nan 8.150 nan 0.000 0.447 310 L N -0.703 120.632 121.223 0.187 0.000 1.990 310 L HA -0.217 4.124 4.340 0.001 0.000 0.213 310 L C 2.601 179.563 176.870 0.152 0.000 1.072 310 L CA 1.964 56.909 54.840 0.175 0.000 0.755 310 L CB -0.411 41.756 42.059 0.179 0.000 0.889 310 L HN 0.460 nan 8.230 nan 0.000 0.432 311 L N -0.816 120.531 121.223 0.207 0.000 2.131 311 L HA -0.251 4.090 4.340 0.001 0.000 0.210 311 L C 2.059 179.169 176.870 0.401 0.000 1.092 311 L CA 1.239 56.269 54.840 0.316 0.000 0.759 311 L CB -0.265 42.049 42.059 0.425 0.000 0.903 311 L HN 0.424 nan 8.230 nan 0.000 0.435 312 Q N -1.014 118.914 119.800 0.213 0.000 2.222 312 Q HA 0.027 4.368 4.340 0.001 0.000 0.206 312 Q C -0.111 175.933 176.000 0.073 0.000 0.877 312 Q CA -0.304 55.575 55.803 0.127 0.000 0.958 312 Q CB 0.205 28.867 28.738 -0.126 0.000 1.075 312 Q HN 0.214 nan 8.270 nan 0.000 0.483 313 D N 1.927 122.382 120.400 0.092 0.000 2.368 313 D HA -0.058 4.583 4.640 0.001 0.000 0.268 313 D C 0.713 177.035 176.300 0.038 0.000 1.298 313 D CA 0.524 54.560 54.000 0.059 0.000 0.938 313 D CB 0.764 41.605 40.800 0.068 0.000 1.101 313 D HN 0.049 nan 8.370 nan 0.000 0.509 314 K N 2.915 123.326 120.400 0.018 0.000 2.097 314 K HA -0.139 4.182 4.320 0.001 0.000 0.206 314 K C 0.753 177.352 176.600 -0.002 0.000 1.049 314 K CA 0.961 57.249 56.287 0.001 0.000 0.933 314 K CB 0.350 32.848 32.500 -0.004 0.000 0.717 314 K HN 0.441 nan 8.250 nan 0.000 0.442 315 D N -0.244 120.161 120.400 0.008 0.000 2.213 315 D HA -0.077 4.564 4.640 0.001 0.000 0.205 315 D C 1.862 178.165 176.300 0.006 0.000 0.961 315 D CA 0.673 54.678 54.000 0.008 0.000 0.853 315 D CB 0.213 41.024 40.800 0.018 0.000 0.967 315 D HN 0.002 nan 8.370 nan 0.000 0.496 316 V N 1.209 121.130 119.914 0.012 0.000 2.407 316 V HA -0.131 3.990 4.120 0.001 0.000 0.245 316 V C 2.508 178.597 176.094 -0.008 0.000 1.041 316 V CA 0.749 63.053 62.300 0.008 0.000 1.040 316 V CB -0.245 31.589 31.823 0.018 0.000 0.671 316 V HN 0.111 nan 8.190 nan 0.000 0.455 317 I N 1.002 121.563 120.570 -0.014 0.000 2.208 317 I HA -0.287 3.884 4.170 0.001 0.000 0.245 317 I C 2.697 178.772 176.117 -0.070 0.000 1.097 317 I CA 1.662 62.928 61.300 -0.058 0.000 1.363 317 I CB -0.592 37.356 38.000 -0.085 0.000 1.051 317 I HN 0.284 nan 8.210 nan 0.000 0.413 318 A N 0.973 123.764 122.820 -0.048 0.000 1.908 318 A HA -0.197 4.124 4.320 0.001 0.000 0.218 318 A C 2.310 179.863 177.584 -0.051 0.000 1.181 318 A CA 1.598 53.607 52.037 -0.047 0.000 0.627 318 A CB -0.852 18.131 19.000 -0.028 0.000 0.818 318 A HN 0.393 nan 8.150 nan 0.000 0.445 319 I N 0.052 120.598 120.570 -0.040 0.000 2.091 319 I HA -0.344 3.827 4.170 0.001 0.000 0.239 319 I C 2.593 178.667 176.117 -0.072 0.000 1.061 319 I CA 1.812 63.086 61.300 -0.044 0.000 1.317 319 I CB -0.625 37.361 38.000 -0.023 0.000 1.031 319 I HN 0.537 nan 8.210 nan 0.000 0.401 320 N N 0.838 119.490 118.700 -0.081 0.000 2.132 320 N HA -0.247 4.493 4.740 0.001 0.000 0.191 320 N C 1.556 176.946 175.510 -0.199 0.000 1.015 320 N CA 1.550 54.521 53.050 -0.132 0.000 0.864 320 N CB 0.038 38.451 38.487 -0.124 0.000 1.006 320 N HN 0.434 nan 8.380 nan 0.000 0.430 321 Q N 0.822 120.525 119.800 -0.162 0.000 2.280 321 Q HA 0.035 4.376 4.340 0.001 0.000 0.201 321 Q C -0.585 175.353 176.000 -0.104 0.000 0.890 321 Q CA -0.136 55.567 55.803 -0.166 0.000 0.947 321 Q CB -0.392 28.265 28.738 -0.136 0.000 1.081 321 Q HN 0.403 nan 8.270 nan 0.000 0.502 322 D N 2.308 122.657 120.400 -0.085 0.000 2.586 322 D HA -0.074 4.566 4.640 0.001 0.000 0.234 322 D C -1.187 175.106 176.300 -0.013 0.000 1.132 322 D CA -0.761 53.210 54.000 -0.048 0.000 0.860 322 D CB 1.063 41.829 40.800 -0.057 0.000 1.159 322 D HN -0.015 nan 8.370 nan 0.000 0.490 323 P HA -0.141 nan 4.420 nan 0.000 0.223 323 P C 1.786 179.123 177.300 0.061 0.000 1.151 323 P CA 0.455 63.580 63.100 0.041 0.000 0.787 323 P CB 0.163 31.881 31.700 0.029 0.000 0.788 324 L N -0.101 121.140 121.223 0.030 0.000 2.013 324 L HA -0.141 4.200 4.340 0.001 0.000 0.212 324 L C 1.564 178.485 176.870 0.085 0.000 1.073 324 L CA 2.330 57.187 54.840 0.028 0.000 0.753 324 L CB -1.423 40.621 42.059 -0.023 0.000 0.890 324 L HN 0.227 nan 8.230 nan 0.000 0.432 325 G N 0.555 109.431 108.800 0.126 0.000 2.198 325 G HA2 -0.261 3.699 3.960 0.001 0.000 0.257 325 G HA3 -0.261 3.699 3.960 0.001 0.000 0.257 325 G C 0.049 175.095 174.900 0.244 0.000 1.042 325 G CA 0.134 45.413 45.100 0.297 0.000 0.791 325 G HN 0.377 nan 8.290 nan 0.000 0.502 326 K N 0.140 120.611 120.400 0.117 0.000 2.234 326 K HA 0.316 4.637 4.320 0.001 0.000 0.282 326 K C 0.540 177.211 176.600 0.119 0.000 1.039 326 K CA -0.552 55.794 56.287 0.098 0.000 0.928 326 K CB 1.577 34.099 32.500 0.036 0.000 1.039 326 K HN 0.539 nan 8.250 nan 0.000 0.470 327 Q N 1.316 121.211 119.800 0.159 0.000 2.314 327 Q HA 0.222 4.563 4.340 0.001 0.000 0.258 327 Q C 0.161 176.258 176.000 0.161 0.000 0.954 327 Q CA -0.209 55.688 55.803 0.157 0.000 0.890 327 Q CB 0.922 29.763 28.738 0.172 0.000 1.210 327 Q HN 0.742 nan 8.270 nan 0.000 0.410 328 G N 1.914 110.778 108.800 0.107 0.000 2.553 328 G HA2 0.394 4.355 3.960 0.001 0.000 0.278 328 G HA3 0.394 4.355 3.960 0.001 0.000 0.278 328 G C -1.205 173.783 174.900 0.146 0.000 1.349 328 G CA -0.014 45.102 45.100 0.027 0.000 1.037 328 G HN 0.763 nan 8.290 nan 0.000 0.508 329 Y N -3.804 116.601 120.300 0.174 0.000 2.725 329 Y HA 0.578 5.128 4.550 0.001 0.000 0.333 329 Y C -0.505 175.212 175.900 -0.305 0.000 1.242 329 Y CA -1.464 56.617 58.100 -0.032 0.000 1.059 329 Y CB 1.084 39.504 38.460 -0.066 0.000 1.306 329 Y HN 0.569 nan 8.280 nan 0.000 0.454 330 Q N 1.492 120.933 119.800 -0.600 0.000 2.294 330 Q HA 0.343 4.683 4.340 0.001 0.000 0.257 330 Q C -0.476 175.375 176.000 -0.247 0.000 0.955 330 Q CA -0.446 54.769 55.803 -0.979 0.000 0.936 330 Q CB 1.490 29.423 28.738 -1.343 0.000 1.188 330 Q HN 0.905 nan 8.270 nan 0.000 0.420 331 L N 4.313 125.455 121.223 -0.134 0.000 2.168 331 L HA 0.276 4.617 4.340 0.001 0.000 0.203 331 L C -0.164 176.687 176.870 -0.032 0.000 1.078 331 L CA 1.234 56.094 54.840 0.032 0.000 0.780 331 L CB 0.374 42.480 42.059 0.078 0.000 0.939 331 L HN 0.589 nan 8.230 nan 0.000 0.451 332 R N -0.580 119.886 120.500 -0.056 0.000 2.584 332 R HA 0.489 4.830 4.340 0.001 0.000 0.276 332 R C -1.313 174.986 176.300 -0.003 0.000 1.046 332 R CA -0.415 55.678 56.100 -0.011 0.000 0.906 332 R CB 1.684 32.010 30.300 0.044 0.000 1.215 332 R HN 0.052 nan 8.270 nan 0.000 0.449 333 Q N 1.173 120.986 119.800 0.022 0.000 2.323 333 Q HA 0.710 5.051 4.340 0.001 0.000 0.271 333 Q C -1.266 174.785 176.000 0.086 0.000 1.048 333 Q CA -0.756 55.081 55.803 0.056 0.000 0.792 333 Q CB 2.517 31.271 28.738 0.026 0.000 1.280 333 Q HN 0.882 nan 8.270 nan 0.000 0.441 334 G N 2.032 110.909 108.800 0.128 0.000 2.368 334 G HA2 0.219 4.180 3.960 0.001 0.000 0.301 334 G HA3 0.219 4.180 3.960 0.001 0.000 0.301 334 G C -0.924 174.087 174.900 0.185 0.000 1.640 334 G CA -0.121 45.058 45.100 0.131 0.000 0.941 334 G HN 0.707 nan 8.290 nan 0.000 0.695 335 D N 0.445 120.919 120.400 0.123 0.000 2.870 335 D HA -0.184 4.456 4.640 0.001 0.000 0.228 335 D C 0.944 177.237 176.300 -0.011 0.000 1.147 335 D CA 1.832 55.895 54.000 0.105 0.000 0.757 335 D CB -0.930 40.004 40.800 0.223 0.000 1.091 335 D HN 0.998 nan 8.370 nan 0.000 0.429 336 N N -1.508 117.180 118.700 -0.021 0.000 2.776 336 N HA -0.237 4.504 4.740 0.001 0.000 0.250 336 N C -0.713 174.677 175.510 -0.200 0.000 1.112 336 N CA 1.390 54.374 53.050 -0.109 0.000 0.733 336 N CB -1.528 36.855 38.487 -0.174 0.000 1.097 336 N HN 0.523 nan 8.380 nan 0.000 0.558 337 F N 0.316 120.293 119.950 0.045 0.000 2.577 337 F HA 0.462 4.990 4.527 0.001 0.000 0.318 337 F C 0.442 176.238 175.800 -0.008 0.000 1.065 337 F CA -0.762 57.224 58.000 -0.023 0.000 0.929 337 F CB 1.906 40.843 39.000 -0.105 0.000 1.237 337 F HN -0.212 nan 8.300 nan 0.000 0.468 338 E N 1.359 121.696 120.200 0.229 0.000 2.317 338 E HA 0.590 4.941 4.350 0.001 0.000 0.270 338 E C -1.629 175.049 176.600 0.131 0.000 0.885 338 E CA -1.020 55.502 56.400 0.204 0.000 0.760 338 E CB 3.263 33.213 29.700 0.417 0.000 1.227 338 E HN 0.189 nan 8.360 nan 0.000 0.434 339 V N 2.235 122.202 119.914 0.088 0.000 2.407 339 V HA 0.391 4.512 4.120 0.001 0.000 0.291 339 V C -1.143 175.035 176.094 0.139 0.000 1.018 339 V CA -0.795 61.550 62.300 0.074 0.000 0.842 339 V CB 0.328 32.139 31.823 -0.020 0.000 0.996 339 V HN 0.588 nan 8.190 nan 0.000 0.426 340 W N 2.597 123.870 121.300 -0.046 0.000 2.655 340 W HA 0.807 5.467 4.660 0.001 0.000 0.358 340 W C 0.075 176.531 176.519 -0.104 0.000 1.100 340 W CA -0.900 56.404 57.345 -0.069 0.000 1.195 340 W CB 1.227 30.660 29.460 -0.045 0.000 1.403 340 W HN 0.668 nan 8.180 nan 0.000 0.589 341 E N 0.620 120.822 120.200 0.004 0.000 2.363 341 E HA 0.570 4.920 4.350 0.001 0.000 0.281 341 E C -1.526 174.996 176.600 -0.130 0.000 0.953 341 E CA -1.297 55.100 56.400 -0.006 0.000 0.778 341 E CB 2.420 32.143 29.700 0.039 0.000 1.220 341 E HN 0.468 nan 8.360 nan 0.000 0.431 342 R N 2.502 123.027 120.500 0.041 0.000 2.534 342 R HA 0.448 4.789 4.340 0.001 0.000 0.301 342 R C -2.580 173.550 176.300 -0.284 0.000 0.961 342 R CA -2.195 53.860 56.100 -0.075 0.000 0.871 342 R CB 1.742 32.012 30.300 -0.051 0.000 1.170 342 R HN 0.404 nan 8.270 nan 0.000 0.446 343 P HA 0.161 nan 4.420 nan 0.000 0.280 343 P C -0.893 176.007 177.300 -0.666 0.000 1.244 343 P CA -0.053 62.222 63.100 -1.376 0.000 0.784 343 P CB 1.105 32.151 31.700 -1.089 0.000 0.913 344 L N 1.226 122.061 121.223 -0.646 0.000 2.271 344 L HA 0.463 4.803 4.340 0.001 0.000 0.265 344 L C 0.792 177.536 176.870 -0.210 0.000 1.013 344 L CA -1.078 53.584 54.840 -0.298 0.000 0.820 344 L CB 1.132 43.078 42.059 -0.188 0.000 1.352 344 L HN 0.247 nan 8.230 nan 0.000 0.443 345 S N -0.102 115.535 115.700 -0.105 0.000 2.579 345 S HA 0.353 4.824 4.470 0.001 0.000 0.275 345 S C 0.898 175.478 174.600 -0.034 0.000 1.345 345 S CA 0.193 58.361 58.200 -0.054 0.000 1.031 345 S CB 0.868 64.055 63.200 -0.022 0.000 0.892 345 S HN 1.063 nan 8.310 nan 0.000 0.529 346 G N 0.413 109.211 108.800 -0.004 0.000 2.147 346 G HA2 -0.248 3.713 3.960 0.001 0.000 0.244 346 G HA3 -0.248 3.713 3.960 0.001 0.000 0.244 346 G C 0.332 175.266 174.900 0.056 0.000 1.005 346 G CA -0.124 44.992 45.100 0.027 0.000 0.713 346 G HN 1.162 nan 8.290 nan 0.000 0.515 347 L N -3.481 117.775 121.223 0.054 0.000 4.089 347 L HA -0.155 4.186 4.340 0.001 0.000 0.408 347 L C 1.140 178.138 176.870 0.213 0.000 1.184 347 L CA 0.743 55.672 54.840 0.147 0.000 0.947 347 L CB -1.881 40.282 42.059 0.174 0.000 2.066 347 L HN 1.542 nan 8.230 nan 0.000 0.851 348 A N -1.184 121.676 122.820 0.066 0.000 2.311 348 A HA 0.814 5.135 4.320 0.001 0.000 0.334 348 A C -0.997 176.557 177.584 -0.050 0.000 1.139 348 A CA -0.217 51.898 52.037 0.129 0.000 0.830 348 A CB 0.746 19.790 19.000 0.073 0.000 1.234 348 A HN 0.252 nan 8.150 nan 0.000 0.483 349 W N -0.499 120.830 121.300 0.047 0.000 3.022 349 W HA 0.610 5.271 4.660 0.002 0.000 0.335 349 W C -0.050 176.479 176.519 0.016 0.000 1.133 349 W CA -0.141 57.222 57.345 0.030 0.000 1.219 349 W CB 2.113 31.591 29.460 0.030 0.000 1.409 349 W HN 0.900 nan 8.180 nan 0.000 0.507 350 A N 2.084 125.020 122.820 0.193 0.000 2.292 350 A HA 0.830 5.151 4.320 0.001 0.000 0.319 350 A C -1.255 176.418 177.584 0.149 0.000 1.206 350 A CA -0.596 51.518 52.037 0.128 0.000 0.835 350 A CB 0.783 19.816 19.000 0.055 0.000 1.164 350 A HN 0.460 nan 8.150 nan 0.000 0.505 351 V N 1.632 121.607 119.914 0.102 0.000 2.487 351 V HA 0.703 4.824 4.120 0.001 0.000 0.298 351 V C 0.214 176.339 176.094 0.053 0.000 1.028 351 V CA -0.246 62.100 62.300 0.077 0.000 0.860 351 V CB 1.569 33.417 31.823 0.042 0.000 0.991 351 V HN 1.214 nan 8.190 nan 0.000 0.427 352 A N 6.397 129.260 122.820 0.073 0.000 2.330 352 A HA 0.908 5.228 4.320 0.001 0.000 0.313 352 A C -0.620 176.997 177.584 0.054 0.000 1.124 352 A CA -0.605 51.459 52.037 0.045 0.000 0.774 352 A CB 1.054 20.061 19.000 0.011 0.000 1.198 352 A HN 0.813 nan 8.150 nan 0.000 0.465 353 M N 3.224 122.823 119.600 -0.001 0.000 2.149 353 M HA 0.452 4.933 4.480 0.001 0.000 0.342 353 M C -0.982 175.326 176.300 0.014 0.000 1.068 353 M CA 0.047 55.317 55.300 -0.050 0.000 0.991 353 M CB 1.248 33.741 32.600 -0.179 0.000 1.596 353 M HN 0.523 nan 8.290 nan 0.000 0.439 354 I N 2.728 123.347 120.570 0.081 0.000 2.336 354 I HA 0.269 4.440 4.170 0.001 0.000 0.292 354 I C 0.082 176.334 176.117 0.225 0.000 0.991 354 I CA -0.640 60.740 61.300 0.134 0.000 1.227 354 I CB 1.202 39.297 38.000 0.158 0.000 1.366 354 I HN 0.592 nan 8.210 nan 0.000 0.466 355 N N 5.718 124.526 118.700 0.181 0.000 2.437 355 N HA 0.178 4.919 4.740 0.001 0.000 0.243 355 N C 0.524 176.066 175.510 0.053 0.000 1.041 355 N CA -0.201 52.898 53.050 0.082 0.000 0.940 355 N CB 0.759 39.277 38.487 0.051 0.000 1.133 355 N HN 0.373 nan 8.380 nan 0.000 0.506 356 R N 1.647 122.166 120.500 0.032 0.000 2.317 356 R HA 0.037 4.378 4.340 0.001 0.000 0.208 356 R C 0.090 176.432 176.300 0.070 0.000 0.914 356 R CA 0.017 56.195 56.100 0.130 0.000 1.060 356 R CB -0.048 30.330 30.300 0.130 0.000 1.015 356 R HN 0.643 nan 8.270 nan 0.000 0.498 357 Q N 1.463 121.236 119.800 -0.045 0.000 2.288 357 Q HA 0.034 4.375 4.340 0.001 0.000 0.258 357 Q C -0.461 175.533 176.000 -0.010 0.000 0.957 357 Q CA 0.247 56.020 55.803 -0.049 0.000 0.919 357 Q CB 0.722 29.380 28.738 -0.132 0.000 1.185 357 Q HN 0.136 nan 8.270 nan 0.000 0.408 358 E N 4.981 125.194 120.200 0.023 0.000 2.651 358 E HA 0.278 4.628 4.350 0.001 0.000 0.213 358 E C -0.592 176.014 176.600 0.010 0.000 1.028 358 E CA -0.045 56.371 56.400 0.027 0.000 1.183 358 E CB 0.512 30.267 29.700 0.093 0.000 1.188 358 E HN 0.541 nan 8.360 nan 0.000 0.444 359 I N -1.159 119.409 120.570 -0.002 0.000 3.102 359 I HA 0.527 4.698 4.170 0.001 0.000 0.310 359 I C 0.113 176.227 176.117 -0.005 0.000 1.246 359 I CA -0.103 61.196 61.300 -0.001 0.000 0.979 359 I CB 1.770 39.772 38.000 0.003 0.000 1.267 359 I HN 0.289 nan 8.210 nan 0.000 0.451 360 G N 2.487 111.287 108.800 0.001 0.000 2.525 360 G HA2 0.106 4.067 3.960 0.001 0.000 0.248 360 G HA3 0.106 4.067 3.960 0.001 0.000 0.248 360 G C -0.133 174.774 174.900 0.011 0.000 1.238 360 G CA -0.098 45.006 45.100 0.008 0.000 0.926 360 G HN 1.395 nan 8.290 nan 0.000 0.574 361 G N -1.014 107.800 108.800 0.024 0.000 3.222 361 G HA2 0.801 4.762 3.960 0.001 0.000 0.263 361 G HA3 0.801 4.762 3.960 0.001 0.000 0.263 361 G C -3.116 171.821 174.900 0.060 0.000 1.312 361 G CA -0.300 44.821 45.100 0.035 0.000 0.934 361 G HN 0.732 nan 8.290 nan 0.000 0.577 362 P HA 0.280 nan 4.420 nan 0.000 0.263 362 P C -0.494 176.925 177.300 0.198 0.000 1.195 362 P CA 0.199 63.382 63.100 0.138 0.000 0.762 362 P CB 0.584 32.365 31.700 0.135 0.000 0.799 363 R N 2.205 122.850 120.500 0.240 0.000 2.393 363 R HA 0.403 4.744 4.340 0.001 0.000 0.310 363 R C 0.060 176.557 176.300 0.328 0.000 0.968 363 R CA -0.532 55.749 56.100 0.301 0.000 0.867 363 R CB 0.897 31.372 30.300 0.292 0.000 1.124 363 R HN 0.373 nan 8.270 nan 0.000 0.450 364 S N 3.055 118.865 115.700 0.183 0.000 2.537 364 S HA 0.036 4.507 4.470 0.001 0.000 0.286 364 S C -1.225 173.350 174.600 -0.041 0.000 1.299 364 S CA 0.106 58.220 58.200 -0.144 0.000 1.067 364 S CB 0.204 63.336 63.200 -0.114 0.000 0.864 364 S HN 0.484 nan 8.310 nan 0.000 0.494 365 Y N 3.514 123.596 120.300 -0.364 0.000 2.386 365 Y HA 0.490 5.041 4.550 0.001 0.000 0.334 365 Y C -0.203 175.494 175.900 -0.337 0.000 1.002 365 Y CA -0.484 57.321 58.100 -0.492 0.000 1.068 365 Y CB 1.855 39.805 38.460 -0.851 0.000 1.203 365 Y HN 0.746 nan 8.280 nan 0.000 0.443 366 T N 5.547 119.611 114.554 -0.817 0.000 2.861 366 T HA 0.760 5.111 4.350 0.001 0.000 0.287 366 T C -1.445 172.881 174.700 -0.623 0.000 1.003 366 T CA -0.599 61.189 62.100 -0.519 0.000 0.977 366 T CB 1.417 70.103 68.868 -0.303 0.000 0.996 366 T HN 0.740 nan 8.240 nan 0.000 0.448 367 I N 2.045 122.410 120.570 -0.341 0.000 2.802 367 I HA 0.690 4.861 4.170 0.001 0.000 0.298 367 I C -0.272 175.736 176.117 -0.182 0.000 1.176 367 I CA -1.210 59.944 61.300 -0.245 0.000 1.025 367 I CB 1.990 39.926 38.000 -0.106 0.000 1.243 367 I HN 1.058 nan 8.210 nan 0.000 0.424 368 A N 5.258 127.968 122.820 -0.183 0.000 2.524 368 A HA 0.211 4.532 4.320 0.001 0.000 0.250 368 A C 0.971 178.419 177.584 -0.228 0.000 1.078 368 A CA -0.001 51.913 52.037 -0.205 0.000 0.761 368 A CB 0.571 19.433 19.000 -0.231 0.000 1.012 368 A HN 0.719 nan 8.150 nan 0.000 0.500 369 V N 3.221 122.997 119.914 -0.230 0.000 2.469 369 V HA -0.292 3.829 4.120 0.001 0.000 0.251 369 V C 2.775 178.670 176.094 -0.332 0.000 1.064 369 V CA 2.589 64.748 62.300 -0.235 0.000 1.066 369 V CB -0.864 30.869 31.823 -0.150 0.000 0.667 369 V HN 1.020 nan 8.190 nan 0.000 0.461 370 A N -1.068 121.424 122.820 -0.548 0.000 2.125 370 A HA -0.158 4.163 4.320 0.001 0.000 0.219 370 A C 2.354 179.722 177.584 -0.361 0.000 1.156 370 A CA 1.860 53.435 52.037 -0.770 0.000 0.671 370 A CB -0.400 17.704 19.000 -1.493 0.000 0.794 370 A HN 0.535 nan 8.150 nan 0.000 0.459 371 S N -0.788 114.749 115.700 -0.273 0.000 2.496 371 S HA 0.172 4.642 4.470 0.001 0.000 0.224 371 S C 0.341 174.843 174.600 -0.162 0.000 0.996 371 S CA 0.126 58.222 58.200 -0.173 0.000 0.927 371 S CB -0.169 62.948 63.200 -0.138 0.000 0.774 371 S HN 0.310 nan 8.310 nan 0.000 0.524 372 L N 0.839 121.938 121.223 -0.207 0.000 2.379 372 L HA 0.525 4.866 4.340 0.001 0.000 0.269 372 L C 1.363 177.950 176.870 -0.472 0.000 1.084 372 L CA 0.192 54.876 54.840 -0.261 0.000 0.802 372 L CB -0.336 41.597 42.059 -0.209 0.000 1.175 372 L HN 0.297 nan 8.230 nan 0.000 0.448 373 G N 1.856 110.139 108.800 -0.862 0.000 2.305 373 G HA2 -0.369 3.591 3.960 0.001 0.000 0.287 373 G HA3 -0.369 3.591 3.960 0.001 0.000 0.287 373 G C 0.766 175.002 174.900 -1.107 0.000 1.036 373 G CA 0.833 44.698 45.100 -2.058 0.000 0.887 373 G HN 0.770 nan 8.290 nan 0.000 0.505 374 K N -2.481 117.598 120.400 -0.536 0.000 3.035 374 K HA -0.204 4.117 4.320 0.001 0.000 0.262 374 K C 1.783 178.353 176.600 -0.049 0.000 1.024 374 K CA 1.330 57.517 56.287 -0.166 0.000 0.748 374 K CB -1.449 31.042 32.500 -0.015 0.000 1.247 374 K HN 2.206 nan 8.250 nan 0.000 0.482 375 G N -1.489 107.290 108.800 -0.036 0.000 2.196 375 G HA2 -0.373 3.588 3.960 0.001 0.000 0.268 375 G HA3 -0.373 3.588 3.960 0.001 0.000 0.268 375 G C 0.723 175.802 174.900 0.297 0.000 0.975 375 G CA 0.526 45.774 45.100 0.248 0.000 0.648 375 G HN 0.261 nan 8.290 nan 0.000 0.538 376 V N 0.783 120.741 119.914 0.073 0.000 2.436 376 V HA 0.488 4.609 4.120 0.001 0.000 0.240 376 V C 2.251 178.429 176.094 0.140 0.000 1.040 376 V CA 1.400 63.770 62.300 0.116 0.000 1.052 376 V CB -0.485 31.445 31.823 0.178 0.000 0.707 376 V HN 1.128 nan 8.190 nan 0.000 0.469 377 A N -1.011 121.819 122.820 0.018 0.000 2.561 377 A HA 0.133 4.454 4.320 0.001 0.000 0.234 377 A C 1.287 178.956 177.584 0.142 0.000 1.055 377 A CA 0.540 52.636 52.037 0.098 0.000 0.756 377 A CB -0.681 18.265 19.000 -0.089 0.000 0.986 377 A HN 1.069 nan 8.150 nan 0.000 0.505 378 c N -0.127 118.596 118.600 0.205 0.000 4.593 378 c HA -0.125 4.446 4.570 0.001 0.000 0.263 378 c C 0.588 174.943 174.090 0.441 0.000 1.378 378 c CA 0.660 57.146 56.329 0.263 0.000 1.666 378 c CB -2.891 39.716 42.510 0.160 0.000 1.603 378 c HN 1.077 nan 8.230 nan 0.000 0.704 379 N N 1.564 120.473 118.700 0.349 0.000 2.457 379 N HA 0.422 5.162 4.740 0.001 0.000 0.250 379 N C -0.676 174.874 175.510 0.066 0.000 0.982 379 N CA -2.108 51.015 53.050 0.122 0.000 0.941 379 N CB 1.352 39.731 38.487 -0.181 0.000 1.120 379 N HN 0.324 nan 8.380 nan 0.000 0.505 380 P HA 0.191 nan 4.420 nan 0.000 0.245 380 P C -0.698 176.723 177.300 0.202 0.000 1.206 380 P CA 0.317 63.477 63.100 0.100 0.000 0.781 380 P CB 0.486 32.215 31.700 0.048 0.000 0.994 381 A N -0.595 122.355 122.820 0.217 0.000 2.566 381 A HA 0.614 4.935 4.320 0.001 0.000 0.290 381 A C -1.300 176.455 177.584 0.286 0.000 1.071 381 A CA -0.318 51.875 52.037 0.260 0.000 0.658 381 A CB 0.872 20.014 19.000 0.238 0.000 1.285 381 A HN 0.259 nan 8.150 nan 0.000 0.427 382 c N -1.510 117.284 118.600 0.323 0.000 2.888 382 c HA 0.832 5.403 4.570 0.001 0.000 0.308 382 c C -0.822 173.482 174.090 0.357 0.000 1.213 382 c CA -0.974 55.545 56.329 0.317 0.000 1.461 382 c CB 0.391 43.034 42.510 0.221 0.000 1.934 382 c HN 1.129 nan 8.230 nan 0.000 0.474 383 F N 2.986 123.042 119.950 0.178 0.000 2.411 383 F HA 0.716 5.244 4.527 0.002 0.000 0.355 383 F C 0.064 175.887 175.800 0.038 0.000 1.117 383 F CA -0.736 57.265 58.000 0.001 0.000 1.139 383 F CB 0.571 39.452 39.000 -0.198 0.000 1.120 383 F HN 0.559 nan 8.300 nan 0.000 0.493 384 I N 5.308 125.807 120.570 -0.118 0.000 2.321 384 I HA 0.218 4.389 4.170 0.001 0.000 0.291 384 I C -0.033 176.094 176.117 0.016 0.000 0.998 384 I CA -0.491 60.790 61.300 -0.032 0.000 1.227 384 I CB 1.573 39.446 38.000 -0.212 0.000 1.368 384 I HN 0.500 nan 8.210 nan 0.000 0.466 385 T N 5.247 119.875 114.554 0.123 0.000 2.791 385 T HA 0.205 4.556 4.350 0.001 0.000 0.288 385 T C -0.373 174.370 174.700 0.071 0.000 0.999 385 T CA -0.623 61.552 62.100 0.125 0.000 0.952 385 T CB 1.254 70.240 68.868 0.198 0.000 0.938 385 T HN 0.659 nan 8.240 nan 0.000 0.444 386 Q N 3.840 123.673 119.800 0.055 0.000 2.255 386 Q HA 0.117 4.458 4.340 0.001 0.000 0.280 386 Q C 0.038 176.071 176.000 0.055 0.000 1.068 386 Q CA -0.430 55.401 55.803 0.048 0.000 0.911 386 Q CB 0.511 29.279 28.738 0.050 0.000 1.157 386 Q HN 0.658 nan 8.270 nan 0.000 0.380 387 L N 4.436 125.687 121.223 0.048 0.000 2.357 387 L HA 0.231 4.571 4.340 0.001 0.000 0.211 387 L C -0.176 176.725 176.870 0.051 0.000 1.075 387 L CA 0.761 55.630 54.840 0.048 0.000 0.830 387 L CB 0.050 42.132 42.059 0.038 0.000 0.996 387 L HN 0.546 nan 8.230 nan 0.000 0.467 388 L N -0.450 120.796 121.223 0.040 0.000 2.422 388 L HA 0.441 4.782 4.340 0.001 0.000 0.264 388 L C -1.759 175.133 176.870 0.038 0.000 0.984 388 L CA -1.467 53.393 54.840 0.033 0.000 0.819 388 L CB 1.979 44.027 42.059 -0.018 0.000 1.330 388 L HN -0.225 nan 8.230 nan 0.000 0.410 389 P HA -0.008 nan 4.420 nan 0.000 0.225 389 P C 0.135 177.566 177.300 0.218 0.000 1.156 389 P CA 0.786 63.963 63.100 0.130 0.000 0.787 389 P CB 0.577 32.402 31.700 0.209 0.000 0.802 390 V N -3.984 116.020 119.914 0.149 0.000 2.960 390 V HA 0.559 4.680 4.120 0.001 0.000 0.315 390 V C -0.091 176.056 176.094 0.088 0.000 1.087 390 V CA -1.579 60.796 62.300 0.125 0.000 0.982 390 V CB 2.280 34.160 31.823 0.096 0.000 1.039 390 V HN -0.316 nan 8.190 nan 0.000 0.437 391 K N 2.673 123.118 120.400 0.075 0.000 2.312 391 K HA 0.440 4.761 4.320 0.001 0.000 0.287 391 K C -0.634 176.002 176.600 0.060 0.000 1.062 391 K CA -0.029 56.296 56.287 0.063 0.000 0.934 391 K CB 0.536 33.068 32.500 0.054 0.000 1.027 391 K HN 0.894 nan 8.250 nan 0.000 0.478 392 R N 4.053 124.592 120.500 0.065 0.000 2.512 392 R HA 0.148 4.489 4.340 0.001 0.000 0.291 392 R C -0.950 175.401 176.300 0.085 0.000 1.097 392 R CA -0.608 55.532 56.100 0.067 0.000 0.940 392 R CB 1.068 31.404 30.300 0.059 0.000 1.198 392 R HN 0.475 nan 8.270 nan 0.000 0.429 393 K N 4.276 124.740 120.400 0.106 0.000 2.419 393 K HA 0.120 4.441 4.320 0.001 0.000 0.282 393 K C -0.237 176.411 176.600 0.079 0.000 1.056 393 K CA 0.421 56.808 56.287 0.168 0.000 1.035 393 K CB 0.463 33.101 32.500 0.229 0.000 0.921 393 K HN 0.360 nan 8.250 nan 0.000 0.472 394 L N 1.767 122.997 121.223 0.012 0.000 2.352 394 L HA 0.407 4.748 4.340 0.001 0.000 0.269 394 L C 1.297 177.986 176.870 -0.302 0.000 1.034 394 L CA -0.869 53.950 54.840 -0.035 0.000 0.806 394 L CB 1.293 43.395 42.059 0.072 0.000 1.244 394 L HN 0.710 nan 8.230 nan 0.000 0.447 395 G N 0.027 108.650 108.800 -0.294 0.000 2.466 395 G HA2 0.122 4.083 3.960 0.001 0.000 0.279 395 G HA3 0.122 4.083 3.960 0.001 0.000 0.279 395 G C -0.494 173.818 174.900 -0.979 0.000 1.410 395 G CA -0.416 44.315 45.100 -0.615 0.000 1.065 395 G HN 0.261 nan 8.290 nan 0.000 0.547 396 F N -0.880 118.761 119.950 -0.515 0.000 2.429 396 F HA 0.415 4.942 4.527 0.001 0.000 0.348 396 F C -0.321 175.308 175.800 -0.284 0.000 1.109 396 F CA 0.433 58.292 58.000 -0.234 0.000 1.232 396 F CB 0.876 39.870 39.000 -0.011 0.000 1.157 396 F HN 0.117 nan 8.300 nan 0.000 0.564 397 Y N 1.411 121.769 120.300 0.095 0.000 2.338 397 Y HA 0.274 4.824 4.550 0.001 0.000 0.333 397 Y C 0.171 176.130 175.900 0.099 0.000 0.968 397 Y CA -1.099 57.032 58.100 0.050 0.000 1.123 397 Y CB 1.081 39.532 38.460 -0.015 0.000 1.165 397 Y HN 0.552 nan 8.280 nan 0.000 0.452 398 E N 1.534 121.844 120.200 0.184 0.000 2.392 398 E HA -0.111 4.240 4.350 0.001 0.000 0.259 398 E C 0.179 176.901 176.600 0.203 0.000 1.108 398 E CA -0.173 56.336 56.400 0.181 0.000 0.916 398 E CB 0.758 30.531 29.700 0.122 0.000 0.989 398 E HN 0.874 nan 8.360 nan 0.000 0.432 399 W N 2.012 123.348 121.300 0.059 0.000 2.313 399 W HA -0.235 4.426 4.660 0.002 0.000 0.293 399 W C 2.155 178.690 176.519 0.026 0.000 1.216 399 W CA 2.306 59.674 57.345 0.038 0.000 1.223 399 W CB -0.065 29.409 29.460 0.023 0.000 1.138 399 W HN 0.571 nan 8.180 nan 0.000 0.535 400 T N -2.990 111.589 114.554 0.042 0.000 3.081 400 T HA 0.184 4.535 4.350 0.001 0.000 0.250 400 T C 1.021 175.664 174.700 -0.095 0.000 1.100 400 T CA 0.280 62.331 62.100 -0.082 0.000 1.038 400 T CB -0.299 68.601 68.868 0.052 0.000 0.962 400 T HN -0.116 nan 8.240 nan 0.000 0.516 401 S N 1.887 117.567 115.700 -0.032 0.000 2.576 401 S HA 0.320 4.791 4.470 0.001 0.000 0.272 401 S C 0.378 174.973 174.600 -0.009 0.000 1.352 401 S CA -0.505 57.712 58.200 0.028 0.000 1.021 401 S CB 0.357 63.661 63.200 0.174 0.000 0.887 401 S HN 0.447 nan 8.310 nan 0.000 0.542 402 R N 1.021 121.540 120.500 0.032 0.000 2.460 402 R HA 0.447 4.788 4.340 0.001 0.000 0.303 402 R C -1.048 175.292 176.300 0.066 0.000 0.968 402 R CA -0.842 55.250 56.100 -0.012 0.000 0.889 402 R CB 1.051 31.325 30.300 -0.044 0.000 1.123 402 R HN 0.396 nan 8.270 nan 0.000 0.455 403 L N 3.050 124.236 121.223 -0.062 0.000 2.257 403 L HA 0.350 4.691 4.340 0.001 0.000 0.290 403 L C -0.086 176.739 176.870 -0.076 0.000 1.044 403 L CA -0.242 54.544 54.840 -0.090 0.000 0.810 403 L CB 0.768 42.647 42.059 -0.300 0.000 1.193 403 L HN 0.524 nan 8.230 nan 0.000 0.425 404 R N 3.955 124.443 120.500 -0.019 0.000 2.229 404 R HA 0.647 4.987 4.340 0.001 0.000 0.328 404 R C -0.830 175.448 176.300 -0.038 0.000 1.009 404 R CA -0.147 55.914 56.100 -0.065 0.000 0.864 404 R CB 1.203 31.478 30.300 -0.041 0.000 1.085 404 R HN 0.766 nan 8.270 nan 0.000 0.453 405 S N 2.115 117.755 115.700 -0.101 0.000 2.704 405 S HA 0.539 5.009 4.470 0.001 0.000 0.296 405 S C -1.578 172.894 174.600 -0.214 0.000 1.138 405 S CA -0.736 57.444 58.200 -0.033 0.000 0.875 405 S CB 1.103 64.317 63.200 0.023 0.000 1.151 405 S HN 0.746 nan 8.310 nan 0.000 0.500 406 H N 0.979 120.094 119.070 0.074 0.000 2.689 406 H HA 0.520 5.077 4.556 0.001 0.000 0.346 406 H C -1.262 174.130 175.328 0.108 0.000 1.037 406 H CA -0.362 55.748 56.048 0.103 0.000 1.234 406 H CB 1.228 31.040 29.762 0.083 0.000 1.572 406 H HN 0.379 nan 8.280 nan 0.000 0.524 407 I N 2.528 123.245 120.570 0.244 0.000 2.498 407 I HA 0.126 4.296 4.170 0.001 0.000 0.290 407 I C 0.077 176.291 176.117 0.161 0.000 1.032 407 I CA -0.771 60.644 61.300 0.192 0.000 1.073 407 I CB 1.526 39.646 38.000 0.201 0.000 1.251 407 I HN 0.394 nan 8.210 nan 0.000 0.426 408 N N 6.199 124.954 118.700 0.092 0.000 2.513 408 N HA 0.229 4.970 4.740 0.001 0.000 0.268 408 N C -2.501 173.009 175.510 0.000 0.000 1.180 408 N CA -1.655 51.423 53.050 0.046 0.000 0.948 408 N CB 0.366 38.867 38.487 0.025 0.000 1.083 408 N HN 0.231 nan 8.380 nan 0.000 0.455 409 P HA -0.101 nan 4.420 nan 0.000 0.255 409 P C 0.620 177.824 177.300 -0.159 0.000 1.161 409 P CA 1.042 64.104 63.100 -0.063 0.000 0.768 409 P CB -0.050 31.619 31.700 -0.052 0.000 0.746 410 T N -0.681 113.768 114.554 -0.175 0.000 7.679 410 T HA -0.180 4.171 4.350 0.001 0.000 0.300 410 T C 0.676 175.113 174.700 -0.438 0.000 2.098 410 T CA 0.938 62.764 62.100 -0.456 0.000 3.313 410 T CB -2.287 65.958 68.868 -1.037 0.000 1.898 410 T HN 0.645 nan 8.240 nan 0.000 1.144 411 G N -0.081 108.586 108.800 -0.220 0.000 2.504 411 G HA2 0.568 4.529 3.960 0.001 0.000 0.288 411 G HA3 0.568 4.529 3.960 0.001 0.000 0.288 411 G C -0.543 174.309 174.900 -0.079 0.000 1.182 411 G CA 0.110 45.107 45.100 -0.172 0.000 0.894 411 G HN 0.584 nan 8.290 nan 0.000 0.521 412 T N -0.212 114.287 114.554 -0.092 0.000 2.861 412 T HA 0.427 4.778 4.350 0.001 0.000 0.287 412 T C -0.383 174.295 174.700 -0.037 0.000 1.003 412 T CA -0.291 61.782 62.100 -0.045 0.000 0.977 412 T CB 1.881 70.712 68.868 -0.061 0.000 0.996 412 T HN 0.289 nan 8.240 nan 0.000 0.448 413 V N 4.054 123.964 119.914 -0.005 0.000 2.383 413 V HA 0.422 4.543 4.120 0.001 0.000 0.275 413 V C -0.360 175.733 176.094 -0.001 0.000 1.036 413 V CA -0.652 61.651 62.300 0.004 0.000 0.889 413 V CB 1.105 32.943 31.823 0.025 0.000 0.985 413 V HN 0.629 nan 8.190 nan 0.000 0.459 414 L N 7.392 128.615 121.223 0.001 0.000 2.287 414 L HA 0.634 4.975 4.340 0.001 0.000 0.287 414 L C -0.682 176.199 176.870 0.019 0.000 1.022 414 L CA 0.247 55.091 54.840 0.006 0.000 0.814 414 L CB 1.094 43.152 42.059 -0.002 0.000 1.217 414 L HN 0.512 nan 8.230 nan 0.000 0.420 415 L N 4.472 125.709 121.223 0.023 0.000 2.362 415 L HA 0.565 4.906 4.340 0.001 0.000 0.271 415 L C -0.527 176.373 176.870 0.050 0.000 1.002 415 L CA -0.607 54.248 54.840 0.025 0.000 0.818 415 L CB 1.988 44.044 42.059 -0.005 0.000 1.298 415 L HN 0.560 nan 8.230 nan 0.000 0.420 416 Q N 2.413 122.251 119.800 0.063 0.000 2.348 416 Q HA 0.496 4.837 4.340 0.001 0.000 0.265 416 Q C -1.565 174.502 176.000 0.112 0.000 0.998 416 Q CA -0.900 54.957 55.803 0.090 0.000 0.831 416 Q CB 1.556 30.342 28.738 0.080 0.000 1.251 416 Q HN 0.385 nan 8.270 nan 0.000 0.456 417 L N 3.902 125.212 121.223 0.144 0.000 2.264 417 L HA 0.340 4.681 4.340 0.001 0.000 0.289 417 L C -0.205 176.792 176.870 0.211 0.000 1.044 417 L CA -0.025 54.912 54.840 0.162 0.000 0.807 417 L CB 1.311 43.459 42.059 0.149 0.000 1.192 417 L HN 0.505 nan 8.230 nan 0.000 0.425 418 E N 2.988 123.321 120.200 0.221 0.000 2.134 418 E HA 0.176 4.527 4.350 0.001 0.000 0.278 418 E C -0.329 176.415 176.600 0.241 0.000 0.959 418 E CA -0.418 56.109 56.400 0.213 0.000 0.783 418 E CB 1.509 31.322 29.700 0.187 0.000 1.095 418 E HN 0.426 nan 8.360 nan 0.000 0.399 419 N N 2.214 121.050 118.700 0.227 0.000 2.492 419 N HA 0.031 4.772 4.740 0.001 0.000 0.262 419 N C -0.917 174.719 175.510 0.210 0.000 1.202 419 N CA 0.769 53.953 53.050 0.223 0.000 0.926 419 N CB 0.659 39.273 38.487 0.212 0.000 1.078 419 N HN 0.181 nan 8.380 nan 0.000 0.454 420 T N 3.173 117.863 114.554 0.226 0.000 2.952 420 T HA 0.210 4.561 4.350 0.001 0.000 0.305 420 T C -0.278 174.520 174.700 0.163 0.000 1.064 420 T CA -0.592 61.647 62.100 0.232 0.000 1.008 420 T CB 1.303 70.406 68.868 0.392 0.000 1.078 420 T HN 0.507 nan 8.240 nan 0.000 0.459 421 M N 4.058 123.725 119.600 0.110 0.000 2.292 421 M HA 0.414 4.895 4.480 0.001 0.000 0.342 421 M C -0.251 176.058 176.300 0.015 0.000 1.538 421 M CA 0.608 55.942 55.300 0.057 0.000 1.163 421 M CB -0.165 32.458 32.600 0.039 0.000 1.823 421 M HN 0.710 nan 8.290 nan 0.000 0.462 422 Q N 0.000 119.800 119.800 -0.001 0.000 2.315 422 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 422 Q CA 0.000 55.762 55.803 -0.068 0.000 1.022 422 Q CB 0.000 28.662 28.738 -0.127 0.000 1.108 422 Q HN 0.000 nan 8.270 nan 0.000 0.481