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 3hg5_1_A 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 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 0.000 176.901 176.870 0.051 0.000 1.165 32 L CA 0.000 54.895 54.840 0.092 0.000 0.813 32 L CB 0.000 42.165 42.059 0.177 0.000 0.961 33 D N 2.114 122.524 120.400 0.018 0.000 2.841 33 D HA 0.097 4.737 4.640 -0.000 0.000 0.244 33 D C 0.718 177.035 176.300 0.028 0.000 1.228 33 D CA 0.315 54.322 54.000 0.011 0.000 0.872 33 D CB 0.027 40.819 40.800 -0.014 0.000 1.082 33 D HN 0.600 nan 8.370 nan 0.000 0.457 34 N N -0.614 118.117 118.700 0.052 0.000 2.268 34 N HA 0.087 4.826 4.740 -0.000 0.000 0.204 34 N C 1.423 176.973 175.510 0.066 0.000 1.124 34 N CA 0.407 53.492 53.050 0.058 0.000 0.838 34 N CB 0.058 38.589 38.487 0.074 0.000 0.994 34 N HN 0.100 nan 8.380 nan 0.000 0.489 35 G N -0.139 108.700 108.800 0.065 0.000 2.168 35 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 35 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 35 G C -0.275 174.687 174.900 0.103 0.000 0.977 35 G CA 0.739 45.883 45.100 0.073 0.000 0.659 35 G HN 0.377 nan 8.290 nan 0.000 0.533 36 L N -1.235 120.061 121.223 0.123 0.000 2.331 36 L HA 0.689 5.029 4.340 -0.000 0.000 0.268 36 L C 1.613 178.605 176.870 0.203 0.000 1.015 36 L CA -0.620 54.319 54.840 0.164 0.000 0.807 36 L CB 1.500 43.660 42.059 0.169 0.000 1.293 36 L HN 1.115 nan 8.230 nan 0.000 0.451 37 A N 0.679 123.653 122.820 0.256 0.000 2.745 37 A HA -0.195 4.124 4.320 -0.000 0.000 0.296 37 A C 1.548 179.431 177.584 0.498 0.000 1.500 37 A CA 0.593 52.865 52.037 0.391 0.000 0.766 37 A CB -1.196 18.102 19.000 0.496 0.000 1.030 37 A HN 0.766 nan 8.150 nan 0.000 0.489 38 R N 0.048 120.743 120.500 0.325 0.000 2.152 38 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 38 R C 1.283 177.856 176.300 0.454 0.000 1.117 38 R CA 1.670 57.953 56.100 0.306 0.000 0.981 38 R CB -1.098 29.309 30.300 0.180 0.000 0.870 38 R HN 1.149 nan 8.270 nan 0.000 0.451 39 T N -2.015 112.733 114.554 0.322 0.000 2.942 39 T HA 0.541 4.891 4.350 -0.000 0.000 0.289 39 T C -2.907 171.628 174.700 -0.273 0.000 1.044 39 T CA -2.684 59.459 62.100 0.072 0.000 1.023 39 T CB 2.741 71.572 68.868 -0.061 0.000 1.123 39 T HN -0.249 nan 8.240 nan 0.000 0.512 40 P HA 0.142 nan 4.420 nan 0.000 0.264 40 P C 0.007 176.986 177.300 -0.534 0.000 1.183 40 P CA 0.078 62.464 63.100 -1.190 0.000 0.763 40 P CB -0.119 30.904 31.700 -1.128 0.000 0.807 41 T N 4.653 118.968 114.554 -0.399 0.000 2.928 41 T HA 0.179 4.529 4.350 -0.000 0.000 0.305 41 T C 0.478 174.833 174.700 -0.574 0.000 1.035 41 T CA 0.427 62.327 62.100 -0.333 0.000 1.145 41 T CB -0.196 68.559 68.868 -0.189 0.000 0.963 41 T HN 0.289 nan 8.240 nan 0.000 0.545 42 M N 2.339 121.734 119.600 -0.341 0.000 2.321 42 M HA 0.623 5.103 4.480 -0.000 0.000 0.315 42 M C 0.499 176.816 176.300 0.028 0.000 1.052 42 M CA -0.447 54.666 55.300 -0.311 0.000 0.936 42 M CB 2.378 34.753 32.600 -0.374 0.000 1.639 42 M HN 0.912 nan 8.290 nan 0.000 0.433 43 G N 1.570 110.489 108.800 0.198 0.000 2.435 43 G HA2 0.422 4.382 3.960 -0.000 0.000 0.296 43 G HA3 0.422 4.382 3.960 -0.000 0.000 0.296 43 G C -2.935 172.327 174.900 0.603 0.000 1.240 43 G CA -0.643 44.786 45.100 0.548 0.000 0.872 43 G HN 0.709 nan 8.290 nan 0.000 0.480 44 W N -0.070 121.483 121.300 0.422 0.000 2.883 44 W HA 0.771 5.431 4.660 -0.000 0.000 0.335 44 W C -1.665 175.069 176.519 0.360 0.000 1.083 44 W CA -0.944 56.560 57.345 0.266 0.000 1.233 44 W CB 2.074 31.583 29.460 0.081 0.000 1.412 44 W HN 0.543 nan 8.180 nan 0.000 0.490 45 L N 6.172 127.214 121.223 -0.301 0.000 2.431 45 L HA 0.309 4.649 4.340 -0.000 0.000 0.266 45 L C 1.182 177.629 176.870 -0.705 0.000 0.978 45 L CA -0.510 54.181 54.840 -0.249 0.000 0.822 45 L CB 1.365 43.342 42.059 -0.138 0.000 1.310 45 L HN 0.739 nan 8.230 nan 0.000 0.409 46 H N 3.534 122.403 119.070 -0.334 0.000 2.495 46 H HA -0.111 4.445 4.556 -0.000 0.000 0.287 46 H C 1.259 176.608 175.328 0.035 0.000 1.033 46 H CA 0.978 56.870 56.048 -0.259 0.000 1.307 46 H CB -0.018 29.907 29.762 0.271 0.000 1.401 46 H HN 0.832 nan 8.280 nan 0.000 0.555 47 W N 2.451 123.536 121.300 -0.359 0.000 2.315 47 W HA -0.215 4.445 4.660 -0.000 0.000 0.323 47 W C 2.250 178.760 176.519 -0.015 0.000 1.233 47 W CA 1.936 59.153 57.345 -0.213 0.000 1.267 47 W CB -0.107 29.217 29.460 -0.226 0.000 1.160 47 W HN 0.288 nan 8.180 nan 0.000 0.474 48 E N 0.791 120.946 120.200 -0.076 0.000 2.051 48 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 48 E C 2.143 178.614 176.600 -0.215 0.000 0.991 48 E CA 1.601 57.910 56.400 -0.151 0.000 0.799 48 E CB -0.324 29.360 29.700 -0.026 0.000 0.748 48 E HN 0.118 nan 8.360 nan 0.000 0.449 49 R N -0.850 119.542 120.500 -0.179 0.000 2.075 49 R HA 0.002 4.342 4.340 -0.000 0.000 0.226 49 R C 2.018 178.047 176.300 -0.451 0.000 1.114 49 R CA 1.325 57.250 56.100 -0.291 0.000 0.972 49 R CB -0.536 29.577 30.300 -0.311 0.000 0.869 49 R HN 0.152 nan 8.270 nan 0.000 0.437 50 F N -0.528 119.400 119.950 -0.038 0.000 2.694 50 F HA 0.347 4.874 4.527 -0.000 0.000 0.292 50 F C 1.105 176.848 175.800 -0.094 0.000 1.121 50 F CA 0.302 58.298 58.000 -0.006 0.000 1.352 50 F CB 0.191 39.229 39.000 0.063 0.000 1.107 50 F HN -0.142 nan 8.300 nan 0.000 0.597 51 M N -1.168 118.343 119.600 -0.148 0.000 7.319 51 M HA -0.388 4.092 4.480 -0.000 0.000 0.254 51 M C 0.379 176.527 176.300 -0.254 0.000 0.480 51 M CA 1.251 56.085 55.300 -0.776 0.000 1.311 51 M CB -1.596 30.634 32.600 -0.615 0.000 0.421 51 M HN 0.151 nan 8.290 nan 0.000 0.651 52 c N 2.726 121.245 118.600 -0.135 0.000 2.508 52 c HA 0.356 4.926 4.570 -0.000 0.000 0.330 52 c C 0.262 174.450 174.090 0.163 0.000 1.435 52 c CA -0.484 55.982 56.329 0.228 0.000 1.712 52 c CB -1.845 40.898 42.510 0.388 0.000 2.741 52 c HN 0.486 nan 8.230 nan 0.000 0.562 53 N N 1.425 120.194 118.700 0.115 0.000 2.399 53 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 53 N C 0.569 176.144 175.510 0.108 0.000 1.160 53 N CA 0.163 53.270 53.050 0.095 0.000 0.946 53 N CB 0.452 38.992 38.487 0.089 0.000 1.156 53 N HN 0.625 nan 8.380 nan 0.000 0.489 54 L N 1.178 122.469 121.223 0.114 0.000 2.640 54 L HA 0.234 4.574 4.340 -0.000 0.000 0.230 54 L C 0.517 177.431 176.870 0.073 0.000 1.123 54 L CA -0.077 54.831 54.840 0.113 0.000 0.900 54 L CB 0.043 42.196 42.059 0.156 0.000 1.146 54 L HN 0.310 nan 8.230 nan 0.000 0.484 55 D N -0.163 120.271 120.400 0.057 0.000 2.608 55 D HA 0.075 4.715 4.640 -0.000 0.000 0.224 55 D C 1.038 177.352 176.300 0.022 0.000 1.123 55 D CA -0.022 54.000 54.000 0.037 0.000 1.030 55 D CB 0.207 41.026 40.800 0.031 0.000 1.093 55 D HN 0.138 nan 8.370 nan 0.000 0.497 56 c N 1.229 119.838 118.600 0.015 0.000 2.456 56 c HA -0.005 4.565 4.570 -0.000 0.000 0.279 56 c C 2.326 176.412 174.090 -0.007 0.000 1.427 56 c CA -0.054 56.272 56.329 -0.005 0.000 1.778 56 c CB -0.425 42.072 42.510 -0.021 0.000 1.842 56 c HN 0.600 nan 8.230 nan 0.000 0.531 57 Q N 0.785 120.585 119.800 0.001 0.000 2.062 57 Q HA -0.073 4.267 4.340 -0.000 0.000 0.196 57 Q C 2.112 178.111 176.000 -0.001 0.000 0.967 57 Q CA 1.379 57.181 55.803 -0.001 0.000 0.832 57 Q CB -0.088 28.651 28.738 0.002 0.000 0.899 57 Q HN 0.636 nan 8.270 nan 0.000 0.442 58 E N 0.351 120.553 120.200 0.003 0.000 2.190 58 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 58 E C -0.003 176.599 176.600 0.003 0.000 0.978 58 E CA 0.554 56.955 56.400 0.002 0.000 0.839 58 E CB 0.403 30.105 29.700 0.002 0.000 0.787 58 E HN 0.399 nan 8.360 nan 0.000 0.473 59 E N 1.072 121.277 120.200 0.007 0.000 3.651 59 E HA 0.128 4.477 4.350 -0.000 0.000 0.220 59 E C -2.097 174.509 176.600 0.010 0.000 1.222 59 E CA -1.272 55.136 56.400 0.014 0.000 1.114 59 E CB 1.144 30.859 29.700 0.025 0.000 1.278 59 E HN 0.022 nan 8.360 nan 0.000 0.412 60 P HA -0.143 nan 4.420 nan 0.000 0.222 60 P C 0.389 177.668 177.300 -0.034 0.000 1.147 60 P CA 1.062 64.148 63.100 -0.023 0.000 0.790 60 P CB 0.422 32.108 31.700 -0.025 0.000 0.780 61 D N -1.007 119.389 120.400 -0.006 0.000 2.360 61 D HA 0.017 4.657 4.640 -0.000 0.000 0.210 61 D C 1.525 177.842 176.300 0.030 0.000 1.047 61 D CA 0.767 54.766 54.000 -0.002 0.000 0.854 61 D CB 0.317 41.138 40.800 0.035 0.000 0.936 61 D HN 0.305 nan 8.370 nan 0.000 0.514 62 S N -0.544 115.202 115.700 0.076 0.000 2.733 62 S HA 0.052 4.521 4.470 -0.000 0.000 0.247 62 S C 1.108 175.791 174.600 0.138 0.000 1.043 62 S CA -0.580 57.755 58.200 0.224 0.000 1.066 62 S CB -0.718 62.693 63.200 0.352 0.000 1.045 62 S HN 0.286 nan 8.310 nan 0.000 0.586 63 c N 2.200 120.815 118.600 0.024 0.000 2.705 63 c HA 0.615 5.184 4.570 -0.000 0.000 0.382 63 c C 0.687 174.735 174.090 -0.072 0.000 1.322 63 c CA -1.204 55.130 56.329 0.007 0.000 2.290 63 c CB -0.889 41.621 42.510 0.000 0.000 2.650 63 c HN 0.446 nan 8.230 nan 0.000 0.695 64 I N 4.097 124.657 120.570 -0.017 0.000 2.389 64 I HA 0.306 4.476 4.170 -0.000 0.000 0.295 64 I C 0.808 176.933 176.117 0.014 0.000 1.117 64 I CA 0.996 62.297 61.300 0.001 0.000 1.317 64 I CB -1.019 37.047 38.000 0.110 0.000 1.431 64 I HN 1.023 nan 8.210 nan 0.000 0.521 65 S N 3.366 118.954 115.700 -0.185 0.000 2.607 65 S HA 0.363 4.833 4.470 -0.000 0.000 0.273 65 S C 0.761 174.957 174.600 -0.674 0.000 1.148 65 S CA -0.793 57.052 58.200 -0.591 0.000 0.833 65 S CB 2.274 65.261 63.200 -0.354 0.000 1.130 65 S HN 0.586 nan 8.310 nan 0.000 0.470 66 E N 1.299 120.853 120.200 -1.077 0.000 2.086 66 E HA -0.287 4.063 4.350 -0.000 0.000 0.200 66 E C 1.745 178.237 176.600 -0.180 0.000 1.012 66 E CA 1.798 57.931 56.400 -0.446 0.000 0.812 66 E CB -0.191 29.321 29.700 -0.312 0.000 0.743 66 E HN 0.681 nan 8.360 nan 0.000 0.453 67 K N 0.094 120.355 120.400 -0.232 0.000 2.032 67 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 67 K C 2.359 178.829 176.600 -0.216 0.000 1.048 67 K CA 1.384 57.554 56.287 -0.194 0.000 0.927 67 K CB -0.271 32.124 32.500 -0.175 0.000 0.712 67 K HN 0.169 nan 8.250 nan 0.000 0.441 68 L N 0.613 121.660 121.223 -0.294 0.000 2.013 68 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 68 L C 1.904 178.456 176.870 -0.530 0.000 1.073 68 L CA 1.804 56.354 54.840 -0.482 0.000 0.753 68 L CB -0.496 41.145 42.059 -0.697 0.000 0.890 68 L HN 0.151 nan 8.230 nan 0.000 0.432 69 F N -1.270 118.567 119.950 -0.189 0.000 2.325 69 F HA -0.117 4.409 4.527 -0.000 0.000 0.299 69 F C 2.317 178.067 175.800 -0.084 0.000 1.090 69 F CA 1.191 59.129 58.000 -0.103 0.000 1.392 69 F CB -0.541 38.496 39.000 0.061 0.000 1.053 69 F HN 0.057 nan 8.300 nan 0.000 0.521 70 M N -0.404 119.209 119.600 0.022 0.000 2.175 70 M HA -0.177 4.303 4.480 -0.000 0.000 0.264 70 M C 2.026 178.319 176.300 -0.012 0.000 1.063 70 M CA 1.613 56.908 55.300 -0.008 0.000 1.119 70 M CB -0.418 32.018 32.600 -0.274 0.000 1.377 70 M HN 0.113 nan 8.290 nan 0.000 0.415 71 E N -0.014 120.107 120.200 -0.132 0.000 2.077 71 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 71 E C 2.047 178.528 176.600 -0.200 0.000 0.989 71 E CA 1.169 57.477 56.400 -0.155 0.000 0.800 71 E CB -0.021 29.562 29.700 -0.196 0.000 0.746 71 E HN 0.397 nan 8.360 nan 0.000 0.452 72 M N 0.326 119.719 119.600 -0.345 0.000 2.132 72 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 72 M C 2.479 178.617 176.300 -0.270 0.000 1.065 72 M CA 1.247 56.245 55.300 -0.504 0.000 1.122 72 M CB -1.191 30.787 32.600 -1.037 0.000 1.365 72 M HN 0.110 nan 8.290 nan 0.000 0.411 73 A N 0.182 122.944 122.820 -0.097 0.000 1.883 73 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 73 A C 2.159 179.749 177.584 0.010 0.000 1.186 73 A CA 2.083 54.129 52.037 0.015 0.000 0.624 73 A CB -0.830 18.261 19.000 0.151 0.000 0.822 73 A HN 0.540 nan 8.150 nan 0.000 0.444 74 E N -0.489 119.735 120.200 0.040 0.000 2.077 74 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 74 E C 1.903 178.516 176.600 0.022 0.000 0.989 74 E CA 1.280 57.702 56.400 0.037 0.000 0.800 74 E CB -0.222 29.510 29.700 0.054 0.000 0.746 74 E HN 0.647 nan 8.360 nan 0.000 0.452 75 L N -0.177 121.044 121.223 -0.004 0.000 2.240 75 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 75 L C 2.359 179.346 176.870 0.195 0.000 1.106 75 L CA 0.554 55.426 54.840 0.054 0.000 0.793 75 L CB -0.182 41.873 42.059 -0.007 0.000 0.927 75 L HN 0.205 nan 8.230 nan 0.000 0.446 76 M N -0.918 118.750 119.600 0.113 0.000 2.117 76 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 76 M C 2.247 178.688 176.300 0.235 0.000 1.065 76 M CA 1.513 56.955 55.300 0.236 0.000 1.114 76 M CB -0.289 32.373 32.600 0.103 0.000 1.361 76 M HN 0.077 nan 8.290 nan 0.000 0.408 77 V N -0.321 119.663 119.914 0.117 0.000 2.270 77 V HA -0.219 3.900 4.120 -0.000 0.000 0.245 77 V C 2.424 178.555 176.094 0.062 0.000 1.043 77 V CA 2.166 64.510 62.300 0.073 0.000 1.014 77 V CB -0.905 30.932 31.823 0.023 0.000 0.645 77 V HN 0.612 nan 8.190 nan 0.000 0.447 78 S N -0.657 115.079 115.700 0.059 0.000 2.489 78 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 78 S C 1.410 176.019 174.600 0.015 0.000 0.995 78 S CA 0.740 58.958 58.200 0.030 0.000 0.934 78 S CB -0.153 63.060 63.200 0.023 0.000 0.771 78 S HN 0.593 nan 8.310 nan 0.000 0.522 79 E N 0.692 120.920 120.200 0.046 0.000 2.499 79 E HA 0.284 4.633 4.350 -0.000 0.000 0.199 79 E C 1.090 177.503 176.600 -0.311 0.000 1.016 79 E CA 0.344 56.706 56.400 -0.064 0.000 0.933 79 E CB 0.224 29.977 29.700 0.089 0.000 1.050 79 E HN 0.649 nan 8.360 nan 0.000 0.462 80 G N 0.889 109.592 108.800 -0.161 0.000 2.148 80 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 80 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 80 G C 0.765 175.571 174.900 -0.157 0.000 0.981 80 G CA 0.524 45.518 45.100 -0.176 0.000 0.670 80 G HN 0.365 nan 8.290 nan 0.000 0.528 81 W N 0.212 121.561 121.300 0.081 0.000 2.381 81 W HA 0.108 4.768 4.660 -0.000 0.000 0.301 81 W C 2.577 179.236 176.519 0.233 0.000 1.205 81 W CA 1.536 58.981 57.345 0.167 0.000 1.285 81 W CB -0.175 29.334 29.460 0.081 0.000 1.133 81 W HN 0.308 nan 8.180 nan 0.000 0.521 82 K N 0.661 121.269 120.400 0.347 0.000 2.026 82 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 82 K C 1.345 178.029 176.600 0.139 0.000 1.048 82 K CA 2.017 58.437 56.287 0.222 0.000 0.929 82 K CB -0.434 32.151 32.500 0.141 0.000 0.713 82 K HN -0.018 nan 8.250 nan 0.000 0.439 83 D N 0.269 120.725 120.400 0.093 0.000 2.221 83 D HA -0.143 4.497 4.640 -0.000 0.000 0.204 83 D C 1.456 177.779 176.300 0.039 0.000 0.982 83 D CA 1.222 55.247 54.000 0.042 0.000 0.857 83 D CB -0.010 40.794 40.800 0.007 0.000 0.934 83 D HN 0.374 nan 8.370 nan 0.000 0.475 84 A N -0.902 121.968 122.820 0.083 0.000 2.178 84 A HA 0.459 4.779 4.320 -0.000 0.000 0.211 84 A C 1.809 179.378 177.584 -0.024 0.000 1.157 84 A CA 1.203 53.279 52.037 0.064 0.000 0.780 84 A CB 0.291 19.382 19.000 0.152 0.000 0.828 84 A HN 0.274 nan 8.150 nan 0.000 0.476 85 G N -2.433 106.367 108.800 -0.000 0.000 2.296 85 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.188 85 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.188 85 G C -0.101 174.749 174.900 -0.083 0.000 1.000 85 G CA -0.209 44.832 45.100 -0.100 0.000 0.672 85 G HN 0.296 nan 8.290 nan 0.000 0.483 86 Y N 1.661 122.060 120.300 0.166 0.000 2.674 86 Y HA 0.480 5.030 4.550 -0.000 0.000 0.354 86 Y C 1.422 177.437 175.900 0.191 0.000 1.089 86 Y CA 0.693 58.914 58.100 0.201 0.000 1.444 86 Y CB 1.057 39.685 38.460 0.280 0.000 1.187 86 Y HN 0.309 nan 8.280 nan 0.000 0.523 87 E N 1.639 122.011 120.200 0.287 0.000 2.364 87 E HA 0.091 4.441 4.350 -0.000 0.000 0.203 87 E C -0.929 175.712 176.600 0.069 0.000 0.888 87 E CA 0.298 56.773 56.400 0.125 0.000 0.989 87 E CB 0.197 29.902 29.700 0.009 0.000 0.985 87 E HN 0.528 nan 8.360 nan 0.000 0.499 88 Y N 0.951 121.417 120.300 0.277 0.000 2.404 88 Y HA 0.331 4.881 4.550 -0.000 0.000 0.344 88 Y C -0.416 175.728 175.900 0.407 0.000 0.970 88 Y CA -1.038 57.264 58.100 0.337 0.000 1.180 88 Y CB 0.998 39.710 38.460 0.421 0.000 1.138 88 Y HN 0.015 nan 8.280 nan 0.000 0.510 89 L N 5.238 126.724 121.223 0.438 0.000 2.261 89 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 89 L C -0.973 176.184 176.870 0.479 0.000 1.059 89 L CA -0.399 54.729 54.840 0.480 0.000 0.816 89 L CB -0.299 41.959 42.059 0.332 0.000 1.191 89 L HN 0.688 nan 8.230 nan 0.000 0.431 90 C N 5.934 125.583 119.300 0.580 0.000 2.351 90 C HA 0.534 4.994 4.460 -0.000 0.000 0.326 90 C C 0.360 175.609 174.990 0.432 0.000 1.272 90 C CA -1.233 58.008 59.018 0.371 0.000 1.650 90 C CB 0.506 28.382 27.740 0.226 0.000 2.257 90 C HN 0.687 nan 8.230 nan 0.000 0.505 91 I N 3.171 123.808 120.570 0.112 0.000 2.395 91 I HA 0.185 4.354 4.170 -0.000 0.000 0.289 91 I C 0.728 176.967 176.117 0.204 0.000 1.023 91 I CA 0.502 61.863 61.300 0.101 0.000 1.350 91 I CB 0.349 38.075 38.000 -0.456 0.000 1.409 91 I HN 0.703 nan 8.210 nan 0.000 0.507 92 D N 4.005 124.561 120.400 0.260 0.000 2.481 92 D HA 0.078 4.717 4.640 -0.000 0.000 0.283 92 D C -0.331 176.005 176.300 0.060 0.000 1.192 92 D CA -0.354 53.620 54.000 -0.044 0.000 1.100 92 D CB 0.881 41.444 40.800 -0.396 0.000 1.166 92 D HN 0.424 nan 8.370 nan 0.000 0.584 93 D N -0.986 119.123 120.400 -0.484 0.000 2.361 93 D HA 0.042 4.682 4.640 -0.000 0.000 0.239 93 D C 0.113 176.606 176.300 0.320 0.000 1.200 93 D CA 0.138 53.890 54.000 -0.414 0.000 0.915 93 D CB 0.374 40.717 40.800 -0.762 0.000 1.170 93 D HN 0.525 nan 8.370 nan 0.000 0.444 94 c N 1.707 120.406 118.600 0.164 0.000 4.584 94 c HA -0.109 4.461 4.570 -0.000 0.000 0.288 94 c C 1.500 175.578 174.090 -0.020 0.000 1.284 94 c CA 0.021 56.354 56.329 0.008 0.000 2.038 94 c CB -2.450 40.303 42.510 0.403 0.000 1.246 94 c HN 0.771 nan 8.230 nan 0.000 0.765 95 W N -1.116 120.093 121.300 -0.151 0.000 2.872 95 W HA 0.447 5.106 4.660 -0.000 0.000 0.266 95 W C 0.699 176.986 176.519 -0.387 0.000 1.276 95 W CA -0.309 56.867 57.345 -0.282 0.000 1.471 95 W CB -0.714 28.465 29.460 -0.469 0.000 1.071 95 W HN 0.343 nan 8.180 nan 0.000 0.619 96 M N 2.055 120.938 119.600 -1.195 0.000 2.243 96 M HA 0.364 4.844 4.480 -0.000 0.000 0.341 96 M C 0.769 176.701 176.300 -0.613 0.000 1.130 96 M CA -0.034 54.583 55.300 -1.137 0.000 1.162 96 M CB 1.004 32.929 32.600 -1.124 0.000 1.497 96 M HN -0.101 nan 8.290 nan 0.000 0.456 97 A N 3.704 126.334 122.820 -0.317 0.000 2.425 97 A HA 0.262 4.582 4.320 -0.000 0.000 0.242 97 A C -1.727 175.830 177.584 -0.044 0.000 1.077 97 A CA -1.215 50.750 52.037 -0.120 0.000 0.781 97 A CB -0.512 18.460 19.000 -0.047 0.000 1.020 97 A HN 0.650 nan 8.150 nan 0.000 0.494 98 P HA -0.109 nan 4.420 nan 0.000 0.221 98 P C 0.370 177.706 177.300 0.061 0.000 1.145 98 P CA 1.337 64.534 63.100 0.162 0.000 0.795 98 P CB 0.260 32.029 31.700 0.115 0.000 0.775 99 Q N -1.922 117.883 119.800 0.007 0.000 2.501 99 Q HA 0.371 4.711 4.340 -0.000 0.000 0.288 99 Q C -0.377 175.592 176.000 -0.052 0.000 1.051 99 Q CA -0.981 54.806 55.803 -0.027 0.000 0.788 99 Q CB 2.144 30.872 28.738 -0.017 0.000 1.469 99 Q HN -0.144 nan 8.270 nan 0.000 0.416 100 R N 0.799 121.248 120.500 -0.085 0.000 2.707 100 R HA 0.056 4.396 4.340 -0.000 0.000 0.270 100 R C -0.033 176.245 176.300 -0.038 0.000 1.083 100 R CA -0.134 55.908 56.100 -0.097 0.000 1.182 100 R CB 0.212 30.397 30.300 -0.192 0.000 1.084 100 R HN 0.645 nan 8.270 nan 0.000 0.528 101 D N -0.531 119.861 120.400 -0.013 0.000 2.414 101 D HA -0.063 4.577 4.640 -0.000 0.000 0.259 101 D C 0.889 177.194 176.300 0.009 0.000 1.269 101 D CA -0.139 53.870 54.000 0.014 0.000 1.028 101 D CB 0.203 41.032 40.800 0.048 0.000 1.093 101 D HN 0.417 nan 8.370 nan 0.000 0.545 102 S N -0.956 114.755 115.700 0.018 0.000 2.400 102 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 102 S C 1.050 175.660 174.600 0.016 0.000 1.025 102 S CA 0.984 59.194 58.200 0.016 0.000 0.993 102 S CB -0.521 62.690 63.200 0.019 0.000 0.808 102 S HN 0.586 nan 8.310 nan 0.000 0.478 103 E N 0.759 120.969 120.200 0.018 0.000 2.444 103 E HA 0.259 4.608 4.350 -0.000 0.000 0.191 103 E C 1.057 177.668 176.600 0.019 0.000 1.041 103 E CA 0.320 56.730 56.400 0.016 0.000 0.883 103 E CB 0.094 29.803 29.700 0.016 0.000 1.024 103 E HN 0.722 nan 8.360 nan 0.000 0.470 104 G N 2.532 111.340 108.800 0.014 0.000 2.147 104 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.244 104 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.244 104 G C 0.125 174.983 174.900 -0.069 0.000 1.005 104 G CA 0.149 45.260 45.100 0.019 0.000 0.713 104 G HN 0.167 nan 8.290 nan 0.000 0.515 105 R N -0.829 119.629 120.500 -0.071 0.000 2.540 105 R HA 0.636 4.976 4.340 -0.000 0.000 0.287 105 R C 0.857 177.107 176.300 -0.084 0.000 0.980 105 R CA -0.971 55.064 56.100 -0.108 0.000 0.966 105 R CB 1.120 31.380 30.300 -0.066 0.000 1.106 105 R HN 0.203 nan 8.270 nan 0.000 0.480 106 L N 2.885 124.046 121.223 -0.102 0.000 2.485 106 L HA -0.021 4.319 4.340 -0.000 0.000 0.275 106 L C 0.465 177.530 176.870 0.326 0.000 1.207 106 L CA 0.616 55.486 54.840 0.050 0.000 0.855 106 L CB 0.094 42.242 42.059 0.147 0.000 1.114 106 L HN 0.574 nan 8.230 nan 0.000 0.485 107 Q N 2.614 122.546 119.800 0.220 0.000 2.389 107 Q HA 0.759 5.099 4.340 -0.000 0.000 0.277 107 Q C -1.173 174.902 176.000 0.125 0.000 1.082 107 Q CA -1.081 54.892 55.803 0.282 0.000 0.810 107 Q CB 2.053 30.884 28.738 0.156 0.000 1.374 107 Q HN 0.599 nan 8.270 nan 0.000 0.422 108 A N 1.495 124.432 122.820 0.195 0.000 2.386 108 A HA 0.187 4.507 4.320 -0.000 0.000 0.248 108 A C -0.306 177.309 177.584 0.051 0.000 1.082 108 A CA -0.086 52.017 52.037 0.112 0.000 0.789 108 A CB 0.169 19.167 19.000 -0.002 0.000 1.025 108 A HN 0.890 nan 8.150 nan 0.000 0.490 109 D N 1.790 122.228 120.400 0.063 0.000 2.487 109 D HA 0.119 4.759 4.640 -0.000 0.000 0.243 109 D C -1.181 175.200 176.300 0.136 0.000 1.154 109 D CA -0.705 53.350 54.000 0.093 0.000 0.876 109 D CB 0.837 41.715 40.800 0.131 0.000 1.161 109 D HN 0.215 nan 8.370 nan 0.000 0.478 110 P HA -0.147 nan 4.420 nan 0.000 0.219 110 P C 0.785 178.097 177.300 0.020 0.000 1.150 110 P CA 1.211 64.336 63.100 0.041 0.000 0.814 110 P CB 0.299 32.012 31.700 0.021 0.000 0.787 111 Q N -0.470 119.345 119.800 0.025 0.000 2.163 111 Q HA 0.052 4.392 4.340 -0.000 0.000 0.198 111 Q C 2.369 178.354 176.000 -0.025 0.000 0.954 111 Q CA 1.239 57.038 55.803 -0.006 0.000 0.851 111 Q CB -0.330 28.409 28.738 0.002 0.000 0.928 111 Q HN 0.248 nan 8.270 nan 0.000 0.459 112 R N -1.188 119.323 120.500 0.018 0.000 2.173 112 R HA 0.142 4.482 4.340 -0.000 0.000 0.208 112 R C -0.069 176.058 176.300 -0.289 0.000 1.035 112 R CA 0.480 56.530 56.100 -0.083 0.000 1.004 112 R CB 0.416 30.728 30.300 0.019 0.000 0.917 112 R HN 0.127 nan 8.270 nan 0.000 0.462 113 F N 1.199 121.144 119.950 -0.008 0.000 2.542 113 F HA 0.297 4.824 4.527 -0.000 0.000 0.323 113 F C -1.643 174.115 175.800 -0.070 0.000 1.411 113 F CA -2.212 55.778 58.000 -0.017 0.000 1.124 113 F CB 1.476 40.483 39.000 0.011 0.000 1.331 113 F HN -0.147 nan 8.300 nan 0.000 0.560 114 P HA -0.194 nan 4.420 nan 0.000 0.218 114 P C 0.862 178.016 177.300 -0.243 0.000 1.148 114 P CA 1.835 64.820 63.100 -0.191 0.000 0.822 114 P CB 0.092 31.579 31.700 -0.355 0.000 0.784 115 H N -1.347 117.727 119.070 0.006 0.000 2.551 115 H HA 0.341 4.897 4.556 -0.000 0.000 0.266 115 H C 1.253 176.561 175.328 -0.034 0.000 0.964 115 H CA 0.596 56.635 56.048 -0.014 0.000 1.180 115 H CB -0.240 29.503 29.762 -0.032 0.000 1.408 115 H HN 0.224 nan 8.280 nan 0.000 0.563 116 G N 0.346 109.178 108.800 0.053 0.000 2.781 116 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.683 116 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.683 116 G C 0.444 175.211 174.900 -0.221 0.000 1.390 116 G CA -0.251 44.785 45.100 -0.107 0.000 0.850 116 G HN 0.099 nan 8.290 nan 0.000 0.557 117 I N 0.526 120.739 120.570 -0.595 0.000 2.286 117 I HA -0.033 4.137 4.170 -0.000 0.000 0.245 117 I C 2.868 178.731 176.117 -0.423 0.000 1.104 117 I CA 1.850 62.770 61.300 -0.633 0.000 1.397 117 I CB -1.033 36.330 38.000 -1.062 0.000 1.072 117 I HN 0.760 nan 8.210 nan 0.000 0.417 118 R N 0.758 120.965 120.500 -0.488 0.000 2.096 118 R HA -0.208 4.132 4.340 -0.000 0.000 0.240 118 R C 2.260 178.525 176.300 -0.058 0.000 1.139 118 R CA 1.537 57.564 56.100 -0.121 0.000 0.952 118 R CB -0.020 30.294 30.300 0.024 0.000 0.854 118 R HN 0.375 nan 8.270 nan 0.000 0.436 119 Q N 0.383 120.147 119.800 -0.060 0.000 2.096 119 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 119 Q C 2.162 178.158 176.000 -0.007 0.000 0.982 119 Q CA 1.180 56.974 55.803 -0.014 0.000 0.850 119 Q CB -0.311 28.435 28.738 0.013 0.000 0.901 119 Q HN 0.286 nan 8.270 nan 0.000 0.422 120 L N 0.629 121.838 121.223 -0.025 0.000 2.046 120 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 120 L C 2.160 179.019 176.870 -0.019 0.000 1.077 120 L CA 2.066 56.915 54.840 0.015 0.000 0.747 120 L CB -0.848 41.221 42.059 0.016 0.000 0.896 120 L HN 0.120 nan 8.230 nan 0.000 0.432 121 A N -0.561 122.183 122.820 -0.127 0.000 1.933 121 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 121 A C 2.081 179.402 177.584 -0.438 0.000 1.175 121 A CA 2.015 53.859 52.037 -0.322 0.000 0.628 121 A CB -0.989 17.873 19.000 -0.230 0.000 0.814 121 A HN 0.693 nan 8.150 nan 0.000 0.444 122 N N -1.728 116.895 118.700 -0.128 0.000 2.043 122 N HA -0.252 4.488 4.740 -0.000 0.000 0.193 122 N C 1.801 177.317 175.510 0.010 0.000 1.037 122 N CA 1.788 54.836 53.050 -0.004 0.000 0.851 122 N CB -0.383 38.133 38.487 0.048 0.000 1.027 122 N HN 0.644 nan 8.380 nan 0.000 0.422 123 Y N 2.005 122.257 120.300 -0.081 0.000 2.128 123 Y HA -0.206 4.344 4.550 -0.000 0.000 0.284 123 Y C 2.204 178.077 175.900 -0.044 0.000 1.154 123 Y CA 1.171 59.238 58.100 -0.055 0.000 1.149 123 Y CB -0.566 37.858 38.460 -0.059 0.000 0.976 123 Y HN -0.181 nan 8.280 nan 0.000 0.505 124 V N 0.493 120.317 119.914 -0.150 0.000 2.343 124 V HA -0.362 3.758 4.120 -0.000 0.000 0.247 124 V C 2.165 178.186 176.094 -0.122 0.000 1.051 124 V CA 2.506 64.695 62.300 -0.184 0.000 1.036 124 V CB -0.900 30.881 31.823 -0.071 0.000 0.654 124 V HN 0.570 nan 8.190 nan 0.000 0.451 125 H N 0.315 119.341 119.070 -0.073 0.000 2.387 125 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 125 H C 2.484 177.756 175.328 -0.092 0.000 1.099 125 H CA 1.411 57.422 56.048 -0.063 0.000 1.315 125 H CB -0.064 29.686 29.762 -0.020 0.000 1.380 125 H HN 0.594 nan 8.280 nan 0.000 0.513 126 S N 0.698 116.390 115.700 -0.014 0.000 2.447 126 S HA -0.076 4.394 4.470 -0.000 0.000 0.233 126 S C 1.641 176.165 174.600 -0.127 0.000 1.006 126 S CA 0.760 58.919 58.200 -0.068 0.000 0.957 126 S CB 0.058 63.208 63.200 -0.083 0.000 0.773 126 S HN 0.249 nan 8.310 nan 0.000 0.507 127 K N 0.836 121.115 120.400 -0.201 0.000 2.444 127 K HA 0.206 4.526 4.320 -0.000 0.000 0.193 127 K C 1.287 177.841 176.600 -0.076 0.000 1.024 127 K CA 0.561 56.743 56.287 -0.174 0.000 1.077 127 K CB -0.290 32.049 32.500 -0.269 0.000 0.833 127 K HN 0.601 nan 8.250 nan 0.000 0.517 128 G N 1.760 110.535 108.800 -0.042 0.000 2.160 128 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.251 128 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.251 128 G C 0.103 174.997 174.900 -0.010 0.000 1.008 128 G CA 0.343 45.432 45.100 -0.018 0.000 0.724 128 G HN 0.221 nan 8.290 nan 0.000 0.514 129 L N -1.414 119.812 121.223 0.005 0.000 2.347 129 L HA 0.761 5.101 4.340 -0.000 0.000 0.268 129 L C 0.613 177.511 176.870 0.047 0.000 1.019 129 L CA -1.179 53.665 54.840 0.007 0.000 0.806 129 L CB 1.352 43.426 42.059 0.025 0.000 1.339 129 L HN -0.013 nan 8.230 nan 0.000 0.463 130 K N 0.781 121.157 120.400 -0.039 0.000 2.318 130 K HA 0.555 4.875 4.320 -0.000 0.000 0.249 130 K C -1.532 175.136 176.600 0.114 0.000 0.942 130 K CA -0.867 55.415 56.287 -0.009 0.000 0.808 130 K CB 2.550 34.787 32.500 -0.438 0.000 1.189 130 K HN 0.159 nan 8.250 nan 0.000 0.428 131 L N 1.500 122.827 121.223 0.173 0.000 2.272 131 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 131 L C -0.211 176.772 176.870 0.187 0.000 1.032 131 L CA 0.206 55.125 54.840 0.131 0.000 0.810 131 L CB 1.257 43.308 42.059 -0.014 0.000 1.205 131 L HN 0.736 nan 8.230 nan 0.000 0.422 132 G N 5.149 114.065 108.800 0.194 0.000 2.389 132 G HA2 0.604 4.564 3.960 -0.000 0.000 0.328 132 G HA3 0.604 4.564 3.960 -0.000 0.000 0.328 132 G C -1.051 173.814 174.900 -0.059 0.000 1.133 132 G CA -0.348 44.828 45.100 0.128 0.000 0.891 132 G HN 0.699 nan 8.290 nan 0.000 0.485 133 I N -0.200 120.278 120.570 -0.155 0.000 3.322 133 I HA 0.736 4.905 4.170 -0.000 0.000 0.313 133 I C -1.671 174.385 176.117 -0.100 0.000 1.129 133 I CA -1.582 59.534 61.300 -0.307 0.000 0.963 133 I CB 2.629 40.268 38.000 -0.602 0.000 1.273 133 I HN 0.529 nan 8.210 nan 0.000 0.473 134 Y N 2.676 122.914 120.300 -0.103 0.000 2.442 134 Y HA 0.805 5.355 4.550 -0.000 0.000 0.344 134 Y C -0.877 175.284 175.900 0.435 0.000 0.976 134 Y CA -0.318 57.887 58.100 0.176 0.000 1.040 134 Y CB 1.615 40.207 38.460 0.220 0.000 1.228 134 Y HN 0.673 nan 8.280 nan 0.000 0.451 135 A N 4.034 126.806 122.820 -0.080 0.000 2.524 135 A HA 0.617 4.937 4.320 -0.000 0.000 0.289 135 A C -1.993 175.407 177.584 -0.307 0.000 1.248 135 A CA -0.691 51.438 52.037 0.153 0.000 0.712 135 A CB 1.863 21.270 19.000 0.678 0.000 1.312 135 A HN 0.706 nan 8.150 nan 0.000 0.441 136 D N -0.763 119.539 120.400 -0.163 0.000 2.819 136 D HA 0.319 4.959 4.640 -0.000 0.000 0.232 136 D C 0.162 176.042 176.300 -0.700 0.000 1.160 136 D CA -0.328 53.349 54.000 -0.539 0.000 0.858 136 D CB 2.533 43.218 40.800 -0.191 0.000 1.610 136 D HN 0.246 nan 8.370 nan 0.000 0.481 137 V N 3.095 122.313 119.914 -1.160 0.000 2.667 137 V HA 0.111 4.231 4.120 -0.000 0.000 0.252 137 V C 1.253 177.261 176.094 -0.144 0.000 1.065 137 V CA 1.984 63.809 62.300 -0.792 0.000 1.083 137 V CB -0.123 30.997 31.823 -1.172 0.000 0.692 137 V HN 0.573 nan 8.190 nan 0.000 0.468 138 G N -0.853 107.825 108.800 -0.203 0.000 2.531 138 G HA2 0.072 4.031 3.960 -0.000 0.000 0.253 138 G HA3 0.072 4.031 3.960 -0.000 0.000 0.253 138 G C 0.617 175.527 174.900 0.015 0.000 1.439 138 G CA 0.093 45.136 45.100 -0.096 0.000 1.056 138 G HN 0.292 nan 8.290 nan 0.000 0.555 139 N N -0.445 118.252 118.700 -0.006 0.000 2.416 139 N HA 0.063 4.803 4.740 -0.000 0.000 0.177 139 N C 0.263 175.760 175.510 -0.022 0.000 1.036 139 N CA 0.810 53.868 53.050 0.013 0.000 0.901 139 N CB 0.263 38.721 38.487 -0.048 0.000 0.976 139 N HN 0.336 nan 8.380 nan 0.000 0.444 140 K N -0.501 119.889 120.400 -0.018 0.000 2.512 140 K HA 0.232 4.552 4.320 -0.000 0.000 0.263 140 K C -0.371 176.318 176.600 0.149 0.000 0.966 140 K CA -0.658 55.596 56.287 -0.055 0.000 0.851 140 K CB 2.045 34.290 32.500 -0.425 0.000 1.395 140 K HN -0.083 nan 8.250 nan 0.000 0.440 141 T N -2.373 112.285 114.554 0.174 0.000 2.748 141 T HA 0.021 4.371 4.350 -0.000 0.000 0.304 141 T C 1.305 176.213 174.700 0.347 0.000 1.041 141 T CA -0.447 61.831 62.100 0.298 0.000 1.033 141 T CB 0.472 69.612 68.868 0.454 0.000 0.995 141 T HN 0.671 nan 8.240 nan 0.000 0.536 142 c N 1.078 119.857 118.600 0.298 0.000 2.419 142 c HA 0.135 4.704 4.570 -0.000 0.000 0.281 142 c C 3.087 177.318 174.090 0.235 0.000 1.336 142 c CA 0.696 57.163 56.329 0.230 0.000 1.770 142 c CB -1.995 40.572 42.510 0.095 0.000 1.929 142 c HN 1.004 nan 8.230 nan 0.000 0.509 143 A N -0.708 122.231 122.820 0.198 0.000 2.218 143 A HA 0.440 4.760 4.320 -0.000 0.000 0.209 143 A C 1.742 179.279 177.584 -0.079 0.000 1.168 143 A CA 1.234 53.372 52.037 0.168 0.000 0.804 143 A CB -0.507 18.695 19.000 0.337 0.000 0.834 143 A HN 1.184 nan 8.150 nan 0.000 0.482 144 G N -2.215 106.542 108.800 -0.072 0.000 2.148 144 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.203 144 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.203 144 G C -0.057 174.584 174.900 -0.432 0.000 0.993 144 G CA -0.026 44.893 45.100 -0.302 0.000 0.661 144 G HN 0.247 nan 8.290 nan 0.000 0.518 145 F N 0.696 120.629 119.950 -0.028 0.000 2.348 145 F HA 0.587 5.114 4.527 -0.000 0.000 0.308 145 F C -1.651 174.099 175.800 -0.084 0.000 1.175 145 F CA -2.456 55.500 58.000 -0.073 0.000 1.080 145 F CB 0.247 39.185 39.000 -0.103 0.000 1.341 145 F HN -0.204 nan 8.300 nan 0.000 0.518 146 P HA 0.090 nan 4.420 nan 0.000 0.261 146 P C -0.180 177.131 177.300 0.019 0.000 1.183 146 P CA 0.161 63.254 63.100 -0.012 0.000 0.761 146 P CB 0.049 31.695 31.700 -0.090 0.000 0.785 147 G N 1.718 110.526 108.800 0.013 0.000 2.562 147 G HA2 0.231 4.191 3.960 -0.000 0.000 0.275 147 G HA3 0.231 4.191 3.960 -0.000 0.000 0.275 147 G C 0.703 175.640 174.900 0.062 0.000 1.196 147 G CA -0.366 44.766 45.100 0.053 0.000 0.908 147 G HN 0.345 nan 8.290 nan 0.000 0.524 148 S N -0.697 115.078 115.700 0.125 0.000 2.535 148 S HA 0.122 4.591 4.470 -0.000 0.000 0.214 148 S C 0.485 174.994 174.600 -0.152 0.000 0.980 148 S CA -0.572 57.705 58.200 0.128 0.000 0.907 148 S CB -0.169 63.287 63.200 0.428 0.000 0.790 148 S HN 0.451 nan 8.310 nan 0.000 0.510 149 F N 2.820 122.616 119.950 -0.256 0.000 2.590 149 F HA 0.374 4.901 4.527 -0.000 0.000 0.389 149 F C 1.328 176.866 175.800 -0.436 0.000 1.049 149 F CA 1.000 58.698 58.000 -0.502 0.000 1.199 149 F CB -0.113 38.775 39.000 -0.187 0.000 1.058 149 F HN 0.270 nan 8.300 nan 0.000 0.556 150 G N 4.497 112.435 108.800 -1.437 0.000 2.175 150 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.244 150 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.244 150 G C 0.065 174.366 174.900 -0.999 0.000 0.982 150 G CA 0.378 44.790 45.100 -1.147 0.000 0.641 150 G HN 0.743 nan 8.290 nan 0.000 0.527 151 Y N -1.075 118.806 120.300 -0.697 0.000 2.717 151 Y HA 0.386 4.936 4.550 -0.000 0.000 0.250 151 Y C 1.919 177.609 175.900 -0.350 0.000 1.149 151 Y CA -0.639 57.208 58.100 -0.421 0.000 1.211 151 Y CB 0.101 38.383 38.460 -0.297 0.000 1.289 151 Y HN 0.172 nan 8.280 nan 0.000 0.552 152 Y N 0.676 120.852 120.300 -0.207 0.000 2.151 152 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 152 Y C 1.885 177.687 175.900 -0.162 0.000 1.166 152 Y CA 1.422 59.385 58.100 -0.227 0.000 1.163 152 Y CB -0.471 37.702 38.460 -0.478 0.000 0.974 152 Y HN 0.214 nan 8.280 nan 0.000 0.511 153 D N -0.317 120.100 120.400 0.027 0.000 2.123 153 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 153 D C 2.244 178.502 176.300 -0.070 0.000 0.976 153 D CA 1.112 55.120 54.000 0.014 0.000 0.831 153 D CB -0.104 40.725 40.800 0.048 0.000 0.974 153 D HN 0.234 nan 8.370 nan 0.000 0.469 154 I N 1.964 122.484 120.570 -0.085 0.000 2.099 154 I HA -0.237 3.933 4.170 -0.000 0.000 0.239 154 I C 1.876 177.840 176.117 -0.255 0.000 1.066 154 I CA 1.412 62.640 61.300 -0.120 0.000 1.324 154 I CB -1.136 36.848 38.000 -0.026 0.000 1.037 154 I HN -0.094 nan 8.210 nan 0.000 0.401 155 D N 1.226 121.452 120.400 -0.290 0.000 2.117 155 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 155 D C 2.295 178.122 176.300 -0.788 0.000 0.987 155 D CA 1.661 55.286 54.000 -0.624 0.000 0.829 155 D CB -0.185 40.363 40.800 -0.420 0.000 0.961 155 D HN 0.349 nan 8.370 nan 0.000 0.460 156 A N 0.511 123.139 122.820 -0.320 0.000 1.902 156 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 156 A C 2.173 179.665 177.584 -0.154 0.000 1.181 156 A CA 1.816 53.772 52.037 -0.135 0.000 0.623 156 A CB -0.586 18.368 19.000 -0.077 0.000 0.818 156 A HN 0.133 nan 8.150 nan 0.000 0.443 157 Q N -0.512 119.168 119.800 -0.199 0.000 2.123 157 Q HA -0.103 4.237 4.340 -0.000 0.000 0.199 157 Q C 2.205 178.050 176.000 -0.258 0.000 0.966 157 Q CA 2.411 58.114 55.803 -0.168 0.000 0.845 157 Q CB -0.764 27.896 28.738 -0.131 0.000 0.907 157 Q HN 0.673 nan 8.270 nan 0.000 0.439 158 T N -1.130 113.149 114.554 -0.460 0.000 2.777 158 T HA -0.119 4.230 4.350 -0.000 0.000 0.266 158 T C 1.439 175.633 174.700 -0.843 0.000 1.040 158 T CA 1.228 62.884 62.100 -0.739 0.000 1.141 158 T CB -0.372 67.940 68.868 -0.926 0.000 0.868 158 T HN 0.226 nan 8.240 nan 0.000 0.444 159 F N 2.266 121.892 119.950 -0.539 0.000 2.095 159 F HA 0.125 4.652 4.527 -0.000 0.000 0.298 159 F C 3.023 178.771 175.800 -0.088 0.000 1.104 159 F CA 0.510 58.348 58.000 -0.271 0.000 1.232 159 F CB -1.581 37.339 39.000 -0.133 0.000 0.987 159 F HN 0.333 nan 8.300 nan 0.000 0.475 160 A N -0.043 122.834 122.820 0.095 0.000 1.902 160 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 160 A C 2.027 179.666 177.584 0.092 0.000 1.181 160 A CA 1.937 54.027 52.037 0.088 0.000 0.623 160 A CB -0.885 18.140 19.000 0.041 0.000 0.818 160 A HN 0.292 nan 8.150 nan 0.000 0.443 161 D N -0.972 119.440 120.400 0.020 0.000 2.149 161 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 161 D C 1.528 177.972 176.300 0.240 0.000 0.990 161 D CA 0.946 54.988 54.000 0.070 0.000 0.839 161 D CB -0.358 40.435 40.800 -0.011 0.000 0.948 161 D HN 0.687 nan 8.370 nan 0.000 0.460 162 W N 0.515 121.873 121.300 0.096 0.000 2.525 162 W HA 0.165 4.825 4.660 -0.000 0.000 0.259 162 W C 1.551 178.126 176.519 0.092 0.000 1.253 162 W CA 1.206 58.603 57.345 0.087 0.000 1.262 162 W CB -0.794 28.720 29.460 0.089 0.000 1.122 162 W HN 0.145 nan 8.180 nan 0.000 0.607 163 G N -0.044 108.954 108.800 0.330 0.000 2.137 163 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.237 163 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.237 163 G C 0.067 175.160 174.900 0.321 0.000 1.002 163 G CA 0.000 45.291 45.100 0.318 0.000 0.702 163 G HN 0.017 nan 8.290 nan 0.000 0.515 164 V N 0.572 120.646 119.914 0.266 0.000 2.763 164 V HA 0.202 4.322 4.120 -0.000 0.000 0.306 164 V C 1.107 177.320 176.094 0.199 0.000 1.059 164 V CA 1.037 63.450 62.300 0.189 0.000 1.138 164 V CB 1.241 33.134 31.823 0.118 0.000 0.940 164 V HN 0.383 nan 8.190 nan 0.000 0.489 165 D N 2.651 123.186 120.400 0.224 0.000 2.479 165 D HA 0.263 4.903 4.640 -0.000 0.000 0.216 165 D C 0.010 176.509 176.300 0.333 0.000 1.110 165 D CA 0.316 54.492 54.000 0.292 0.000 0.841 165 D CB 1.487 42.492 40.800 0.340 0.000 1.040 165 D HN 0.367 nan 8.370 nan 0.000 0.505 166 L N 0.865 122.229 121.223 0.235 0.000 2.505 166 L HA 0.436 4.776 4.340 -0.000 0.000 0.259 166 L C -2.240 174.653 176.870 0.037 0.000 0.952 166 L CA -0.904 54.033 54.840 0.161 0.000 0.840 166 L CB 2.650 44.819 42.059 0.183 0.000 1.358 166 L HN -0.231 nan 8.230 nan 0.000 0.409 167 L N 4.254 125.501 121.223 0.040 0.000 2.376 167 L HA 0.515 4.855 4.340 -0.000 0.000 0.275 167 L C -0.916 176.009 176.870 0.092 0.000 0.987 167 L CA -0.163 54.667 54.840 -0.016 0.000 0.828 167 L CB 1.495 43.517 42.059 -0.062 0.000 1.249 167 L HN 0.612 nan 8.230 nan 0.000 0.409 168 K N 4.612 125.050 120.400 0.064 0.000 2.262 168 K HA 0.307 4.627 4.320 -0.000 0.000 0.282 168 K C -1.600 175.066 176.600 0.110 0.000 1.066 168 K CA -0.423 55.924 56.287 0.100 0.000 0.901 168 K CB 0.526 33.091 32.500 0.108 0.000 1.089 168 K HN 0.536 nan 8.250 nan 0.000 0.476 169 F N 4.504 124.431 119.950 -0.039 0.000 2.366 169 F HA 0.243 4.769 4.527 -0.000 0.000 0.366 169 F C -0.008 175.791 175.800 -0.002 0.000 1.096 169 F CA -1.258 56.712 58.000 -0.050 0.000 1.060 169 F CB 0.647 39.737 39.000 0.150 0.000 1.282 169 F HN 0.596 nan 8.300 nan 0.000 0.450 170 D N 2.205 122.375 120.400 -0.382 0.000 2.423 170 D HA 0.426 5.066 4.640 -0.000 0.000 0.255 170 D C 0.812 176.840 176.300 -0.454 0.000 1.174 170 D CA -0.003 53.860 54.000 -0.227 0.000 1.008 170 D CB 1.848 42.553 40.800 -0.158 0.000 1.101 170 D HN 0.666 nan 8.370 nan 0.000 0.516 171 G N -0.390 108.030 108.800 -0.633 0.000 3.596 171 G HA2 0.141 4.101 3.960 -0.000 0.000 0.274 171 G HA3 0.141 4.101 3.960 -0.000 0.000 0.274 171 G C 0.389 174.580 174.900 -1.181 0.000 1.007 171 G CA -0.090 44.338 45.100 -1.120 0.000 0.825 171 G HN 0.485 nan 8.290 nan 0.000 0.508 172 c N 0.177 118.351 118.600 -0.710 0.000 2.700 172 c HA 0.292 4.862 4.570 -0.000 0.000 0.397 172 c C 0.678 174.615 174.090 -0.254 0.000 1.301 172 c CA 0.150 56.217 56.329 -0.437 0.000 2.219 172 c CB -0.793 41.557 42.510 -0.268 0.000 2.699 172 c HN 0.681 nan 8.230 nan 0.000 0.669 173 Y N -0.824 119.397 120.300 -0.132 0.000 3.108 173 Y HA -0.222 4.328 4.550 -0.000 0.000 0.208 173 Y C 0.550 176.337 175.900 -0.190 0.000 1.245 173 Y CA 0.485 58.510 58.100 -0.126 0.000 1.171 173 Y CB -1.759 36.641 38.460 -0.100 0.000 1.331 173 Y HN 0.753 nan 8.280 nan 0.000 0.534 174 C N 2.320 121.537 119.300 -0.138 0.000 2.293 174 C HA 0.412 4.872 4.460 -0.000 0.000 0.323 174 C C 1.329 176.216 174.990 -0.173 0.000 1.240 174 C CA -0.363 58.537 59.018 -0.196 0.000 1.497 174 C CB -0.076 27.530 27.740 -0.222 0.000 2.171 174 C HN 0.598 nan 8.230 nan 0.000 0.465 175 D N 3.306 123.586 120.400 -0.200 0.000 2.363 175 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 175 D C 0.546 176.742 176.300 -0.172 0.000 0.994 175 D CA 0.743 54.646 54.000 -0.162 0.000 0.890 175 D CB 0.099 40.806 40.800 -0.156 0.000 0.906 175 D HN 0.633 nan 8.370 nan 0.000 0.530 176 S N -1.597 113.992 115.700 -0.184 0.000 2.570 176 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 176 S C 0.503 175.007 174.600 -0.161 0.000 1.149 176 S CA -0.938 57.153 58.200 -0.182 0.000 0.837 176 S CB 0.748 63.868 63.200 -0.133 0.000 1.124 176 S HN -0.026 nan 8.310 nan 0.000 0.465 177 L N 0.975 122.102 121.223 -0.161 0.000 2.141 177 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 177 L C 2.787 179.639 176.870 -0.031 0.000 1.094 177 L CA 1.511 56.305 54.840 -0.077 0.000 0.763 177 L CB -0.413 41.611 42.059 -0.058 0.000 0.908 177 L HN 0.910 nan 8.230 nan 0.000 0.437 178 E N 0.353 120.528 120.200 -0.041 0.000 2.047 178 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 178 E C 1.896 178.478 176.600 -0.030 0.000 0.987 178 E CA 1.010 57.398 56.400 -0.020 0.000 0.799 178 E CB 0.161 29.853 29.700 -0.014 0.000 0.752 178 E HN 0.407 nan 8.360 nan 0.000 0.449 179 N N 0.782 119.457 118.700 -0.042 0.000 2.149 179 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 179 N C 1.840 177.307 175.510 -0.072 0.000 1.019 179 N CA 0.634 53.669 53.050 -0.026 0.000 0.857 179 N CB -0.342 38.085 38.487 -0.101 0.000 0.997 179 N HN 0.154 nan 8.380 nan 0.000 0.426 180 L N 0.880 122.038 121.223 -0.108 0.000 1.976 180 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 180 L C 2.112 178.807 176.870 -0.291 0.000 1.071 180 L CA 1.889 56.642 54.840 -0.144 0.000 0.746 180 L CB -0.874 41.165 42.059 -0.033 0.000 0.890 180 L HN 0.141 nan 8.230 nan 0.000 0.432 181 A N -0.872 121.792 122.820 -0.260 0.000 1.858 181 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 181 A C 2.022 179.358 177.584 -0.414 0.000 1.190 181 A CA 1.953 53.744 52.037 -0.410 0.000 0.617 181 A CB -0.979 18.050 19.000 0.048 0.000 0.827 181 A HN 0.544 nan 8.150 nan 0.000 0.443 182 D N -0.372 119.910 120.400 -0.197 0.000 2.123 182 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 182 D C 2.046 178.240 176.300 -0.178 0.000 0.992 182 D CA 1.543 55.465 54.000 -0.131 0.000 0.833 182 D CB -0.691 40.106 40.800 -0.004 0.000 0.954 182 D HN 0.450 nan 8.370 nan 0.000 0.455 183 G N -0.646 108.017 108.800 -0.229 0.000 2.402 183 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 183 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 183 G C 1.430 175.999 174.900 -0.553 0.000 1.162 183 G CA 0.308 45.117 45.100 -0.486 0.000 0.777 183 G HN 0.241 nan 8.290 nan 0.000 0.539 184 Y N 1.079 121.112 120.300 -0.445 0.000 2.181 184 Y HA -0.012 4.537 4.550 -0.000 0.000 0.288 184 Y C 2.888 178.619 175.900 -0.281 0.000 1.146 184 Y CA 1.486 59.390 58.100 -0.328 0.000 1.164 184 Y CB -0.021 37.931 38.460 -0.847 0.000 0.982 184 Y HN 0.119 nan 8.280 nan 0.000 0.515 185 K N -1.057 119.108 120.400 -0.391 0.000 2.002 185 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 185 K C 1.961 178.450 176.600 -0.185 0.000 1.048 185 K CA 1.754 57.744 56.287 -0.496 0.000 0.930 185 K CB -0.492 31.603 32.500 -0.676 0.000 0.714 185 K HN 0.437 nan 8.250 nan 0.000 0.438 186 H N 0.284 119.172 119.070 -0.303 0.000 2.289 186 H HA -0.190 4.366 4.556 -0.000 0.000 0.296 186 H C 2.241 177.398 175.328 -0.285 0.000 1.091 186 H CA 2.077 57.969 56.048 -0.259 0.000 1.274 186 H CB 0.061 29.643 29.762 -0.298 0.000 1.364 186 H HN 0.034 nan 8.280 nan 0.000 0.490 187 M N -0.156 119.293 119.600 -0.251 0.000 2.159 187 M HA -0.152 4.327 4.480 -0.000 0.000 0.263 187 M C 2.500 178.541 176.300 -0.431 0.000 1.063 187 M CA 1.689 56.770 55.300 -0.365 0.000 1.110 187 M CB -0.488 31.711 32.600 -0.669 0.000 1.374 187 M HN 0.209 nan 8.290 nan 0.000 0.411 188 S N -0.298 115.206 115.700 -0.327 0.000 2.356 188 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 188 S C 1.829 176.350 174.600 -0.132 0.000 1.032 188 S CA 1.554 59.572 58.200 -0.303 0.000 1.005 188 S CB -0.382 62.975 63.200 0.262 0.000 0.867 188 S HN 0.607 nan 8.310 nan 0.000 0.449 189 L N 0.809 122.013 121.223 -0.033 0.000 2.156 189 L HA 0.083 4.423 4.340 -0.000 0.000 0.208 189 L C 2.824 179.660 176.870 -0.057 0.000 1.095 189 L CA 0.919 55.747 54.840 -0.020 0.000 0.770 189 L CB -0.540 41.513 42.059 -0.010 0.000 0.914 189 L HN 0.373 nan 8.230 nan 0.000 0.439 190 A N 0.269 123.051 122.820 -0.063 0.000 1.930 190 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 190 A C 2.240 179.780 177.584 -0.073 0.000 1.175 190 A CA 1.248 53.264 52.037 -0.035 0.000 0.627 190 A CB -0.572 18.452 19.000 0.039 0.000 0.815 190 A HN 0.332 nan 8.150 nan 0.000 0.443 191 L N -0.112 121.027 121.223 -0.139 0.000 2.017 191 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 191 L C 2.619 179.449 176.870 -0.066 0.000 1.073 191 L CA 1.484 56.252 54.840 -0.121 0.000 0.745 191 L CB -0.680 41.246 42.059 -0.221 0.000 0.894 191 L HN 0.524 nan 8.230 nan 0.000 0.432 192 N N 0.914 119.575 118.700 -0.065 0.000 2.104 192 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 192 N C 1.952 177.451 175.510 -0.019 0.000 1.024 192 N CA 1.528 54.562 53.050 -0.027 0.000 0.853 192 N CB 0.025 38.502 38.487 -0.017 0.000 1.008 192 N HN 0.310 nan 8.380 nan 0.000 0.424 193 R N -0.142 120.342 120.500 -0.027 0.000 2.237 193 R HA -0.047 4.293 4.340 -0.000 0.000 0.219 193 R C 2.114 178.404 176.300 -0.017 0.000 1.080 193 R CA 1.460 57.547 56.100 -0.022 0.000 0.995 193 R CB -0.291 29.993 30.300 -0.027 0.000 0.875 193 R HN 0.466 nan 8.270 nan 0.000 0.462 194 T N -3.178 111.365 114.554 -0.018 0.000 2.915 194 T HA 0.001 4.351 4.350 -0.000 0.000 0.269 194 T C 1.661 176.362 174.700 0.002 0.000 1.071 194 T CA 1.157 63.250 62.100 -0.011 0.000 1.132 194 T CB 0.077 68.941 68.868 -0.008 0.000 0.878 194 T HN 0.406 nan 8.240 nan 0.000 0.479 195 G N 1.372 110.175 108.800 0.005 0.000 2.225 195 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 195 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 195 G C 0.210 175.123 174.900 0.023 0.000 0.988 195 G CA 0.182 45.289 45.100 0.012 0.000 0.625 195 G HN 0.870 nan 8.290 nan 0.000 0.527 196 R N 1.151 121.668 120.500 0.030 0.000 2.357 196 R HA 0.534 4.873 4.340 -0.000 0.000 0.296 196 R C 0.046 176.379 176.300 0.055 0.000 1.052 196 R CA 0.007 56.135 56.100 0.046 0.000 0.988 196 R CB 0.397 30.734 30.300 0.061 0.000 1.025 196 R HN 0.120 nan 8.270 nan 0.000 0.469 197 S N 5.313 121.053 115.700 0.067 0.000 2.457 197 S HA 0.189 4.659 4.470 -0.000 0.000 0.294 197 S C -0.125 174.547 174.600 0.121 0.000 1.201 197 S CA 0.007 58.260 58.200 0.089 0.000 1.112 197 S CB -0.203 63.053 63.200 0.093 0.000 1.018 197 S HN 0.416 nan 8.310 nan 0.000 0.511 198 I N 3.535 124.173 120.570 0.113 0.000 2.439 198 I HA 0.220 4.389 4.170 -0.000 0.000 0.283 198 I C -0.263 175.938 176.117 0.139 0.000 1.023 198 I CA -0.901 60.477 61.300 0.130 0.000 1.100 198 I CB 1.667 39.718 38.000 0.086 0.000 1.238 198 I HN 0.192 nan 8.210 nan 0.000 0.445 199 V N 6.212 126.224 119.914 0.163 0.000 2.557 199 V HA -0.145 3.975 4.120 -0.000 0.000 0.301 199 V C -0.412 175.771 176.094 0.148 0.000 1.026 199 V CA 0.458 62.832 62.300 0.122 0.000 1.137 199 V CB -0.165 31.673 31.823 0.025 0.000 0.917 199 V HN 0.438 nan 8.190 nan 0.000 0.484 200 Y N 4.935 125.220 120.300 -0.025 0.000 2.417 200 Y HA 0.464 5.013 4.550 -0.000 0.000 0.336 200 Y C 0.367 176.236 175.900 -0.051 0.000 0.961 200 Y CA -0.753 57.346 58.100 -0.002 0.000 1.215 200 Y CB 1.383 39.881 38.460 0.063 0.000 1.120 200 Y HN 0.604 nan 8.280 nan 0.000 0.499 201 S N 5.922 121.541 115.700 -0.134 0.000 2.438 201 S HA 0.630 5.100 4.470 -0.000 0.000 0.293 201 S C -0.885 173.667 174.600 -0.080 0.000 1.141 201 S CA -0.360 57.748 58.200 -0.154 0.000 1.080 201 S CB -0.382 62.843 63.200 0.042 0.000 0.978 201 S HN 0.709 nan 8.310 nan 0.000 0.479 202 c N 3.987 122.582 118.600 -0.009 0.000 2.435 202 c HA 0.544 5.114 4.570 -0.000 0.000 0.333 202 c C 1.023 175.231 174.090 0.196 0.000 1.202 202 c CA -0.721 55.645 56.329 0.061 0.000 1.830 202 c CB 1.281 43.744 42.510 -0.078 0.000 2.326 202 c HN 0.949 nan 8.230 nan 0.000 0.507 203 E N 0.523 120.871 120.200 0.245 0.000 2.548 203 E HA -0.032 4.318 4.350 -0.000 0.000 0.206 203 E C 0.998 177.801 176.600 0.339 0.000 1.005 203 E CA -0.240 56.361 56.400 0.335 0.000 0.951 203 E CB 0.256 30.234 29.700 0.463 0.000 1.035 203 E HN 0.866 nan 8.360 nan 0.000 0.470 204 W N 3.837 124.915 121.300 -0.370 0.000 2.289 204 W HA -0.189 4.471 4.660 -0.000 0.000 0.331 204 W C -1.126 175.313 176.519 -0.133 0.000 1.283 204 W CA 1.851 58.873 57.345 -0.539 0.000 1.252 204 W CB -1.714 27.162 29.460 -0.974 0.000 1.153 204 W HN 0.137 nan 8.180 nan 0.000 0.467 205 P HA -0.208 nan 4.420 nan 0.000 0.216 205 P C 2.076 179.517 177.300 0.235 0.000 1.150 205 P CA 1.882 64.928 63.100 -0.090 0.000 0.837 205 P CB -0.513 31.132 31.700 -0.091 0.000 0.786 206 L N -0.725 120.671 121.223 0.288 0.000 2.043 206 L HA -0.174 4.165 4.340 -0.000 0.000 0.212 206 L C 2.387 179.272 176.870 0.025 0.000 1.075 206 L CA 1.969 56.891 54.840 0.137 0.000 0.752 206 L CB -1.590 40.414 42.059 -0.093 0.000 0.891 206 L HN -0.135 nan 8.230 nan 0.000 0.432 207 Y N -0.985 119.454 120.300 0.232 0.000 2.519 207 Y HA -0.031 4.519 4.550 -0.000 0.000 0.287 207 Y C 2.264 178.371 175.900 0.345 0.000 1.128 207 Y CA 1.111 59.359 58.100 0.246 0.000 1.282 207 Y CB -0.387 38.196 38.460 0.205 0.000 1.027 207 Y HN 0.401 nan 8.280 nan 0.000 0.551 208 M N -3.699 116.151 119.600 0.416 0.000 2.516 208 M HA 0.108 4.588 4.480 -0.000 0.000 0.259 208 M C 1.383 177.867 176.300 0.306 0.000 1.146 208 M CA 0.669 56.194 55.300 0.376 0.000 1.122 208 M CB -0.563 32.180 32.600 0.238 0.000 1.341 208 M HN 0.162 nan 8.290 nan 0.000 0.478 209 W N 2.524 123.919 121.300 0.157 0.000 2.290 209 W HA -0.149 4.511 4.660 -0.000 0.000 0.311 209 W C -0.802 175.731 176.519 0.023 0.000 1.238 209 W CA 1.437 58.851 57.345 0.115 0.000 1.255 209 W CB -1.552 27.989 29.460 0.135 0.000 1.145 209 W HN 0.272 nan 8.180 nan 0.000 0.506 210 P HA -0.138 nan 4.420 nan 0.000 0.222 210 P C 0.706 177.770 177.300 -0.394 0.000 1.147 210 P CA 1.586 64.517 63.100 -0.281 0.000 0.790 210 P CB -0.227 31.037 31.700 -0.726 0.000 0.780 211 F N -1.948 118.097 119.950 0.159 0.000 2.537 211 F HA 0.305 4.832 4.527 -0.000 0.000 0.277 211 F C 1.318 177.171 175.800 0.088 0.000 1.013 211 F CA 0.051 58.115 58.000 0.107 0.000 1.332 211 F CB -0.062 38.987 39.000 0.083 0.000 1.108 211 F HN -0.243 nan 8.300 nan 0.000 0.679 212 Q N 1.166 121.119 119.800 0.256 0.000 2.389 212 Q HA 0.312 4.652 4.340 -0.000 0.000 0.277 212 Q C -1.280 174.690 176.000 -0.050 0.000 1.082 212 Q CA -1.047 54.817 55.803 0.101 0.000 0.810 212 Q CB 2.112 30.894 28.738 0.073 0.000 1.374 212 Q HN 0.137 nan 8.270 nan 0.000 0.422 213 K N 2.202 122.521 120.400 -0.134 0.000 2.322 213 K HA 0.416 4.736 4.320 -0.000 0.000 0.283 213 K C -2.524 173.762 176.600 -0.523 0.000 1.042 213 K CA -1.536 54.483 56.287 -0.447 0.000 0.958 213 K CB 0.427 32.784 32.500 -0.238 0.000 0.984 213 K HN 0.238 nan 8.250 nan 0.000 0.473 214 P HA -0.033 nan 4.420 nan 0.000 0.269 214 P C -0.843 176.058 177.300 -0.664 0.000 1.209 214 P CA -0.320 62.270 63.100 -0.848 0.000 0.776 214 P CB 0.402 31.315 31.700 -1.311 0.000 0.876 215 N N 1.738 120.064 118.700 -0.624 0.000 2.500 215 N HA 0.081 4.821 4.740 -0.000 0.000 0.236 215 N C 0.167 175.316 175.510 -0.602 0.000 1.022 215 N CA -0.057 52.727 53.050 -0.444 0.000 0.935 215 N CB -0.127 38.180 38.487 -0.299 0.000 1.147 215 N HN 0.293 nan 8.380 nan 0.000 0.512 216 Y N 1.483 121.529 120.300 -0.423 0.000 2.373 216 Y HA -0.090 4.460 4.550 -0.000 0.000 0.293 216 Y C 2.218 177.837 175.900 -0.468 0.000 1.129 216 Y CA 1.064 58.850 58.100 -0.524 0.000 1.226 216 Y CB 0.071 38.326 38.460 -0.342 0.000 1.000 216 Y HN 0.442 nan 8.280 nan 0.000 0.549 217 T N -0.444 114.008 114.554 -0.171 0.000 2.746 217 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 217 T C 1.753 176.334 174.700 -0.197 0.000 1.039 217 T CA 1.662 63.671 62.100 -0.151 0.000 1.142 217 T CB -0.170 68.641 68.868 -0.095 0.000 0.866 217 T HN 0.457 nan 8.240 nan 0.000 0.444 218 E N 0.555 120.607 120.200 -0.246 0.000 2.046 218 E HA -0.071 4.278 4.350 -0.000 0.000 0.190 218 E C 2.179 178.634 176.600 -0.241 0.000 0.982 218 E CA 0.779 57.076 56.400 -0.173 0.000 0.800 218 E CB -0.176 29.410 29.700 -0.190 0.000 0.756 218 E HN 0.475 nan 8.360 nan 0.000 0.449 219 I N 0.956 121.110 120.570 -0.693 0.000 2.179 219 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 219 I C 2.887 178.734 176.117 -0.450 0.000 1.088 219 I CA 1.364 62.158 61.300 -0.844 0.000 1.357 219 I CB -0.354 36.842 38.000 -1.339 0.000 1.051 219 I HN 0.120 nan 8.210 nan 0.000 0.409 220 R N 1.103 121.257 120.500 -0.577 0.000 2.105 220 R HA -0.251 4.089 4.340 -0.000 0.000 0.239 220 R C 2.275 178.553 176.300 -0.036 0.000 1.135 220 R CA 1.692 57.650 56.100 -0.237 0.000 0.967 220 R CB -0.355 29.863 30.300 -0.137 0.000 0.861 220 R HN 0.409 nan 8.270 nan 0.000 0.442 221 Q N -0.704 119.021 119.800 -0.124 0.000 2.181 221 Q HA -0.202 4.138 4.340 -0.000 0.000 0.205 221 Q C 0.634 176.453 176.000 -0.302 0.000 0.980 221 Q CA 1.703 57.358 55.803 -0.248 0.000 0.862 221 Q CB 0.083 28.586 28.738 -0.392 0.000 0.905 221 Q HN 0.547 nan 8.270 nan 0.000 0.429 222 Y N -2.253 118.142 120.300 0.159 0.000 2.430 222 Y HA 0.233 4.783 4.550 -0.000 0.000 0.248 222 Y C 0.294 176.445 175.900 0.417 0.000 1.108 222 Y CA -0.541 57.736 58.100 0.296 0.000 1.264 222 Y CB 0.986 39.704 38.460 0.431 0.000 1.172 222 Y HN 0.011 nan 8.280 nan 0.000 0.520 223 c N -0.212 118.657 118.600 0.448 0.000 2.626 223 c HA 0.242 4.812 4.570 -0.000 0.000 0.310 223 c C 1.216 175.544 174.090 0.395 0.000 1.191 223 c CA -0.966 55.612 56.329 0.415 0.000 1.517 223 c CB 1.365 44.096 42.510 0.370 0.000 2.102 223 c HN 0.452 nan 8.230 nan 0.000 0.479 224 N N -0.231 118.606 118.700 0.229 0.000 2.333 224 N HA 0.029 4.769 4.740 -0.000 0.000 0.178 224 N C -0.198 175.360 175.510 0.081 0.000 1.018 224 N CA 0.925 54.048 53.050 0.121 0.000 0.882 224 N CB 0.133 38.640 38.487 0.034 0.000 0.984 224 N HN 0.894 nan 8.380 nan 0.000 0.434 225 H N -2.895 116.283 119.070 0.180 0.000 2.981 225 H HA 0.509 5.065 4.556 -0.000 0.000 0.327 225 H C -1.874 173.558 175.328 0.173 0.000 1.342 225 H CA -1.481 54.517 56.048 -0.084 0.000 1.123 225 H CB 0.237 29.992 29.762 -0.012 0.000 1.851 225 H HN 0.114 nan 8.280 nan 0.000 0.531 226 W N -0.157 121.338 121.300 0.325 0.000 3.211 226 W HA 0.632 5.292 4.660 -0.000 0.000 0.335 226 W C -1.207 175.453 176.519 0.236 0.000 1.113 226 W CA -1.230 56.243 57.345 0.215 0.000 1.235 226 W CB 1.214 30.764 29.460 0.151 0.000 1.365 226 W HN 0.385 nan 8.180 nan 0.000 0.476 227 R N 2.893 123.618 120.500 0.375 0.000 2.347 227 R HA 0.146 4.485 4.340 -0.000 0.000 0.304 227 R C 0.318 176.796 176.300 0.296 0.000 1.072 227 R CA -0.034 56.225 56.100 0.265 0.000 0.980 227 R CB 0.820 31.239 30.300 0.199 0.000 0.986 227 R HN 0.672 nan 8.270 nan 0.000 0.448 228 N N 1.104 119.940 118.700 0.227 0.000 2.454 228 N HA 0.028 4.767 4.740 -0.000 0.000 0.177 228 N C -0.252 175.122 175.510 -0.227 0.000 1.049 228 N CA 0.572 53.735 53.050 0.187 0.000 0.887 228 N CB 0.362 38.976 38.487 0.213 0.000 1.095 228 N HN 0.323 nan 8.380 nan 0.000 0.446 229 F N 0.611 120.267 119.950 -0.491 0.000 2.629 229 F HA 0.639 5.165 4.527 -0.000 0.000 0.316 229 F C -0.666 174.934 175.800 -0.333 0.000 1.081 229 F CA -1.430 56.166 58.000 -0.673 0.000 0.954 229 F CB 1.007 39.469 39.000 -0.897 0.000 1.337 229 F HN -0.110 nan 8.300 nan 0.000 0.474 230 A N 2.492 124.632 122.820 -1.133 0.000 2.586 230 A HA 0.103 4.423 4.320 -0.000 0.000 0.231 230 A C -0.406 177.002 177.584 -0.294 0.000 1.055 230 A CA 0.009 51.615 52.037 -0.719 0.000 0.756 230 A CB -0.490 17.971 19.000 -0.899 0.000 0.988 230 A HN 0.657 nan 8.150 nan 0.000 0.509 231 D N 0.458 120.769 120.400 -0.148 0.000 2.648 231 D HA 0.035 4.675 4.640 -0.000 0.000 0.229 231 D C 0.420 176.749 176.300 0.049 0.000 1.119 231 D CA 0.706 54.711 54.000 0.009 0.000 0.850 231 D CB 0.165 41.009 40.800 0.073 0.000 1.169 231 D HN 0.500 nan 8.370 nan 0.000 0.489 232 I N 1.744 122.387 120.570 0.121 0.000 2.779 232 I HA 0.042 4.212 4.170 -0.000 0.000 0.285 232 I C 0.392 176.570 176.117 0.102 0.000 1.134 232 I CA -0.069 61.310 61.300 0.132 0.000 1.398 232 I CB 0.577 38.678 38.000 0.169 0.000 1.404 232 I HN 0.442 nan 8.210 nan 0.000 0.587 233 D N 3.821 124.266 120.400 0.075 0.000 2.758 233 D HA 0.192 4.832 4.640 -0.000 0.000 0.279 233 D C -0.961 175.365 176.300 0.043 0.000 1.111 233 D CA -0.512 53.519 54.000 0.052 0.000 1.109 233 D CB 0.301 41.125 40.800 0.041 0.000 1.428 233 D HN 0.268 nan 8.370 nan 0.000 0.586 234 D N -0.488 119.936 120.400 0.040 0.000 2.845 234 D HA 0.285 4.925 4.640 -0.000 0.000 0.235 234 D C -0.879 175.465 176.300 0.072 0.000 1.158 234 D CA 0.018 54.049 54.000 0.051 0.000 0.990 234 D CB -0.800 40.048 40.800 0.080 0.000 1.094 234 D HN 0.454 nan 8.370 nan 0.000 0.486 235 S N 0.064 115.812 115.700 0.080 0.000 2.550 235 S HA 0.196 4.665 4.470 -0.000 0.000 0.270 235 S C 0.634 175.339 174.600 0.175 0.000 1.145 235 S CA -1.048 57.222 58.200 0.117 0.000 0.852 235 S CB 0.705 63.956 63.200 0.085 0.000 1.119 235 S HN 0.377 nan 8.310 nan 0.000 0.465 236 W N 3.079 124.380 121.300 0.002 0.000 2.418 236 W HA -0.063 4.597 4.660 -0.000 0.000 0.292 236 W C 1.623 178.154 176.519 0.020 0.000 1.213 236 W CA 1.363 58.706 57.345 -0.002 0.000 1.283 236 W CB -0.117 29.338 29.460 -0.008 0.000 1.119 236 W HN 0.978 nan 8.180 nan 0.000 0.542 237 K N 0.643 120.988 120.400 -0.093 0.000 2.044 237 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 237 K C 2.331 178.840 176.600 -0.150 0.000 1.049 237 K CA 2.161 58.338 56.287 -0.183 0.000 0.927 237 K CB -0.595 31.877 32.500 -0.047 0.000 0.713 237 K HN 0.022 nan 8.250 nan 0.000 0.443 238 S N 0.281 115.957 115.700 -0.040 0.000 2.348 238 S HA -0.095 4.375 4.470 -0.000 0.000 0.221 238 S C 1.942 176.565 174.600 0.038 0.000 1.033 238 S CA 1.180 59.400 58.200 0.033 0.000 1.010 238 S CB -0.224 63.017 63.200 0.068 0.000 0.891 238 S HN 0.304 nan 8.310 nan 0.000 0.442 239 I N 1.909 122.480 120.570 0.002 0.000 2.151 239 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 239 I C 2.341 178.388 176.117 -0.116 0.000 1.080 239 I CA 1.623 62.943 61.300 0.033 0.000 1.339 239 I CB -1.393 36.666 38.000 0.099 0.000 1.039 239 I HN 0.373 nan 8.210 nan 0.000 0.409 240 K N 0.903 121.036 120.400 -0.445 0.000 2.057 240 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 240 K C 2.287 178.772 176.600 -0.191 0.000 1.049 240 K CA 1.970 57.983 56.287 -0.457 0.000 0.931 240 K CB -0.228 31.856 32.500 -0.694 0.000 0.714 240 K HN 0.435 nan 8.250 nan 0.000 0.440 241 S N 0.949 116.581 115.700 -0.113 0.000 2.406 241 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 241 S C 2.028 176.525 174.600 -0.173 0.000 1.020 241 S CA 0.714 58.894 58.200 -0.033 0.000 0.965 241 S CB -0.422 62.861 63.200 0.138 0.000 0.798 241 S HN 0.188 nan 8.310 nan 0.000 0.488 242 I N 1.311 121.845 120.570 -0.060 0.000 2.202 242 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 242 I C 2.501 178.561 176.117 -0.096 0.000 1.091 242 I CA 1.164 62.375 61.300 -0.148 0.000 1.368 242 I CB -0.384 37.717 38.000 0.169 0.000 1.058 242 I HN 0.282 nan 8.210 nan 0.000 0.410 243 L N 0.228 121.448 121.223 -0.005 0.000 2.017 243 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 243 L C 2.207 179.174 176.870 0.163 0.000 1.073 243 L CA 1.358 56.239 54.840 0.068 0.000 0.745 243 L CB -0.707 41.371 42.059 0.032 0.000 0.894 243 L HN 0.281 nan 8.230 nan 0.000 0.432 244 D N -0.964 119.462 120.400 0.042 0.000 2.117 244 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 244 D C 1.723 178.015 176.300 -0.013 0.000 0.987 244 D CA 1.087 55.101 54.000 0.024 0.000 0.829 244 D CB -0.254 40.517 40.800 -0.049 0.000 0.961 244 D HN 0.407 nan 8.370 nan 0.000 0.460 245 W N 1.705 122.799 121.300 -0.344 0.000 2.358 245 W HA -0.208 4.452 4.660 -0.000 0.000 0.303 245 W C 2.198 178.604 176.519 -0.189 0.000 1.208 245 W CA 2.098 59.190 57.345 -0.422 0.000 1.274 245 W CB -0.379 28.424 29.460 -1.094 0.000 1.138 245 W HN -0.156 nan 8.180 nan 0.000 0.515 246 T N -0.243 114.388 114.554 0.127 0.000 2.788 246 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 246 T C 1.960 176.634 174.700 -0.044 0.000 1.044 246 T CA 2.172 64.335 62.100 0.106 0.000 1.139 246 T CB -0.730 68.299 68.868 0.268 0.000 0.867 246 T HN 0.342 nan 8.240 nan 0.000 0.454 247 S N 0.851 116.563 115.700 0.019 0.000 2.414 247 S HA 0.020 4.490 4.470 -0.000 0.000 0.227 247 S C 1.807 176.311 174.600 -0.160 0.000 1.022 247 S CA 0.208 58.318 58.200 -0.149 0.000 0.958 247 S CB -0.776 62.310 63.200 -0.191 0.000 0.797 247 S HN 0.384 nan 8.310 nan 0.000 0.493 248 F N 3.289 123.063 119.950 -0.293 0.000 2.186 248 F HA 0.145 4.671 4.527 -0.000 0.000 0.299 248 F C 1.777 177.338 175.800 -0.398 0.000 1.090 248 F CA 1.133 58.940 58.000 -0.323 0.000 1.307 248 F CB -0.255 38.542 39.000 -0.338 0.000 1.019 248 F HN 0.207 nan 8.300 nan 0.000 0.489 249 N N 0.517 118.914 118.700 -0.505 0.000 2.268 249 N HA -0.038 4.701 4.740 -0.000 0.000 0.204 249 N C 1.607 176.890 175.510 -0.379 0.000 1.124 249 N CA 0.415 53.118 53.050 -0.579 0.000 0.838 249 N CB -0.010 37.830 38.487 -1.078 0.000 0.994 249 N HN 0.610 nan 8.380 nan 0.000 0.489 250 Q N 0.797 120.415 119.800 -0.303 0.000 2.170 250 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 250 Q C 1.558 177.456 176.000 -0.171 0.000 0.976 250 Q CA 1.079 56.766 55.803 -0.194 0.000 0.858 250 Q CB -0.179 28.463 28.738 -0.161 0.000 0.907 250 Q HN 0.178 nan 8.270 nan 0.000 0.433 251 E N 1.415 121.495 120.200 -0.199 0.000 2.160 251 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 251 E C 1.834 178.355 176.600 -0.132 0.000 0.991 251 E CA 1.252 57.553 56.400 -0.165 0.000 0.810 251 E CB 0.129 29.724 29.700 -0.176 0.000 0.742 251 E HN 0.524 nan 8.360 nan 0.000 0.466 252 R N -0.159 120.259 120.500 -0.136 0.000 2.161 252 R HA 0.061 4.401 4.340 -0.000 0.000 0.213 252 R C 2.453 178.617 176.300 -0.227 0.000 1.055 252 R CA 1.223 57.258 56.100 -0.109 0.000 0.996 252 R CB -0.058 30.242 30.300 0.000 0.000 0.901 252 R HN 0.326 nan 8.270 nan 0.000 0.456 253 I N -4.331 116.100 120.570 -0.232 0.000 4.244 253 I HA 0.153 4.323 4.170 -0.000 0.000 0.318 253 I C 1.602 177.675 176.117 -0.073 0.000 1.282 253 I CA 0.022 61.150 61.300 -0.286 0.000 1.276 253 I CB 0.147 38.027 38.000 -0.200 0.000 1.183 253 I HN -0.240 nan 8.210 nan 0.000 0.431 254 V N 2.488 122.381 119.914 -0.037 0.000 2.261 254 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 254 V C 2.117 178.239 176.094 0.046 0.000 1.047 254 V CA 2.529 64.851 62.300 0.037 0.000 1.015 254 V CB -0.685 31.165 31.823 0.044 0.000 0.642 254 V HN 0.444 nan 8.190 nan 0.000 0.446 255 D N -0.674 119.729 120.400 0.005 0.000 2.269 255 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 255 D C 1.962 178.275 176.300 0.022 0.000 0.963 255 D CA 0.987 54.992 54.000 0.009 0.000 0.864 255 D CB 0.083 40.872 40.800 -0.019 0.000 0.936 255 D HN 0.357 nan 8.370 nan 0.000 0.505 256 V N 0.616 120.553 119.914 0.039 0.000 2.719 256 V HA 0.068 4.188 4.120 -0.000 0.000 0.252 256 V C 0.922 177.099 176.094 0.137 0.000 1.065 256 V CA 0.710 63.059 62.300 0.081 0.000 1.086 256 V CB -0.326 31.557 31.823 0.100 0.000 0.700 256 V HN 0.104 nan 8.190 nan 0.000 0.467 257 A N -0.332 122.574 122.820 0.142 0.000 2.445 257 A HA 0.612 4.932 4.320 -0.000 0.000 0.242 257 A C 0.544 178.066 177.584 -0.105 0.000 1.075 257 A CA 0.722 52.795 52.037 0.060 0.000 0.777 257 A CB -0.248 18.841 19.000 0.148 0.000 1.013 257 A HN 1.260 nan 8.150 nan 0.000 0.493 258 G N 0.672 109.176 108.800 -0.493 0.000 2.321 258 G HA2 0.449 4.408 3.960 -0.000 0.000 0.298 258 G HA3 0.449 4.408 3.960 -0.000 0.000 0.298 258 G C -3.546 170.702 174.900 -1.087 0.000 1.385 258 G CA -0.815 43.962 45.100 -0.539 0.000 0.856 258 G HN 0.493 nan 8.290 nan 0.000 0.584 259 P HA 0.284 nan 4.420 nan 0.000 0.258 259 P C 1.085 178.204 177.300 -0.303 0.000 1.172 259 P CA 2.331 65.274 63.100 -0.261 0.000 0.762 259 P CB 0.654 32.359 31.700 0.009 0.000 0.764 260 G N 2.402 111.058 108.800 -0.240 0.000 2.176 260 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.253 260 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.253 260 G C 0.339 175.106 174.900 -0.222 0.000 0.979 260 G CA -0.292 44.739 45.100 -0.116 0.000 0.641 260 G HN 0.942 nan 8.290 nan 0.000 0.530 261 G N -0.822 107.565 108.800 -0.688 0.000 2.267 261 G HA2 0.517 4.477 3.960 -0.000 0.000 0.285 261 G HA3 0.517 4.477 3.960 -0.000 0.000 0.285 261 G C -0.798 173.544 174.900 -0.931 0.000 1.323 261 G CA -0.454 44.392 45.100 -0.424 0.000 1.306 261 G HN 0.518 nan 8.290 nan 0.000 0.617 262 W N 1.225 122.116 121.300 -0.681 0.000 2.761 262 W HA 0.495 5.155 4.660 -0.000 0.000 0.340 262 W C 0.088 175.881 176.519 -1.209 0.000 1.072 262 W CA -1.157 55.797 57.345 -0.652 0.000 1.215 262 W CB 1.579 30.848 29.460 -0.317 0.000 1.420 262 W HN 0.239 nan 8.180 nan 0.000 0.519 263 N N 2.064 120.507 118.700 -0.429 0.000 2.520 263 N HA 0.022 4.762 4.740 -0.000 0.000 0.273 263 N C -1.158 174.237 175.510 -0.193 0.000 1.155 263 N CA 0.253 53.098 53.050 -0.341 0.000 0.967 263 N CB 1.003 39.520 38.487 0.050 0.000 1.092 263 N HN 0.400 nan 8.380 nan 0.000 0.457 264 D N 1.921 122.258 120.400 -0.105 0.000 2.453 264 D HA 0.267 4.907 4.640 -0.000 0.000 0.238 264 D C -2.012 174.300 176.300 0.020 0.000 1.088 264 D CA -1.990 51.998 54.000 -0.020 0.000 0.854 264 D CB 1.485 42.340 40.800 0.091 0.000 1.076 264 D HN 0.237 nan 8.370 nan 0.000 0.533 265 P HA 0.198 nan 4.420 nan 0.000 0.257 265 P C -0.454 176.956 177.300 0.185 0.000 1.281 265 P CA -0.021 63.024 63.100 -0.092 0.000 0.826 265 P CB 0.424 31.777 31.700 -0.578 0.000 1.237 266 D N -1.457 119.100 120.400 0.262 0.000 8.882 266 D HA -0.106 4.534 4.640 -0.000 0.000 0.336 266 D C -0.264 176.328 176.300 0.486 0.000 2.789 266 D CA -0.094 54.108 54.000 0.337 0.000 2.153 266 D CB -0.925 40.040 40.800 0.275 0.000 1.190 266 D HN -0.110 nan 8.370 nan 0.000 1.095 267 M N 0.740 120.527 119.600 0.312 0.000 2.250 267 M HA 0.119 4.599 4.480 -0.000 0.000 0.337 267 M C 0.306 176.640 176.300 0.057 0.000 1.161 267 M CA 0.286 55.715 55.300 0.216 0.000 1.088 267 M CB 0.151 32.819 32.600 0.112 0.000 1.639 267 M HN 0.187 nan 8.290 nan 0.000 0.447 268 L N 3.557 124.750 121.223 -0.049 0.000 2.462 268 L HA 0.048 4.387 4.340 -0.000 0.000 0.272 268 L C 0.873 177.637 176.870 -0.176 0.000 1.166 268 L CA -0.459 54.228 54.840 -0.254 0.000 0.880 268 L CB 0.192 42.146 42.059 -0.175 0.000 1.142 268 L HN 0.681 nan 8.230 nan 0.000 0.473 269 V N 1.452 121.241 119.914 -0.210 0.000 3.214 269 V HA 0.280 4.400 4.120 -0.000 0.000 0.330 269 V C 0.732 176.742 176.094 -0.140 0.000 1.403 269 V CA -0.372 61.843 62.300 -0.142 0.000 1.143 269 V CB -0.534 31.231 31.823 -0.096 0.000 1.098 269 V HN 0.509 nan 8.190 nan 0.000 0.463 270 I N 2.652 123.133 120.570 -0.149 0.000 2.710 270 I HA 0.488 4.658 4.170 -0.000 0.000 0.286 270 I C 1.546 177.613 176.117 -0.085 0.000 1.181 270 I CA 1.626 62.863 61.300 -0.105 0.000 1.430 270 I CB 0.396 38.345 38.000 -0.084 0.000 1.367 270 I HN 0.480 nan 8.210 nan 0.000 0.577 271 G N 3.562 112.313 108.800 -0.081 0.000 2.195 271 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.224 271 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.224 271 G C 0.433 175.171 174.900 -0.270 0.000 0.990 271 G CA -0.210 44.829 45.100 -0.100 0.000 0.639 271 G HN 0.574 nan 8.290 nan 0.000 0.514 272 N N -0.456 118.038 118.700 -0.343 0.000 2.586 272 N HA 0.636 5.376 4.740 -0.000 0.000 0.275 272 N C 1.054 176.096 175.510 -0.781 0.000 1.314 272 N CA 0.734 53.360 53.050 -0.706 0.000 0.820 272 N CB -0.246 38.024 38.487 -0.362 0.000 1.138 272 N HN 0.144 nan 8.380 nan 0.000 0.410 273 F N -1.244 118.691 119.950 -0.024 0.000 2.784 273 F HA 0.389 4.916 4.527 -0.000 0.000 0.316 273 F C 1.962 177.758 175.800 -0.006 0.000 1.026 273 F CA -0.239 57.751 58.000 -0.018 0.000 1.188 273 F CB -0.124 38.855 39.000 -0.034 0.000 0.999 273 F HN 0.379 nan 8.300 nan 0.000 0.605 274 G N 0.642 109.537 108.800 0.158 0.000 2.986 274 G HA2 0.282 4.242 3.960 -0.000 0.000 0.213 274 G HA3 0.282 4.242 3.960 -0.000 0.000 0.213 274 G C 0.352 175.302 174.900 0.083 0.000 1.156 274 G CA 0.109 45.279 45.100 0.116 0.000 0.763 274 G HN 0.039 nan 8.290 nan 0.000 0.547 275 L N 2.167 123.418 121.223 0.047 0.000 2.307 275 L HA 0.389 4.729 4.340 -0.000 0.000 0.284 275 L C 0.682 177.545 176.870 -0.012 0.000 1.023 275 L CA -0.782 54.065 54.840 0.011 0.000 0.810 275 L CB 1.951 44.000 42.059 -0.018 0.000 1.231 275 L HN 0.162 nan 8.230 nan 0.000 0.423 276 S N 2.078 117.743 115.700 -0.058 0.000 2.589 276 S HA -0.013 4.457 4.470 -0.000 0.000 0.265 276 S C 1.070 175.662 174.600 -0.014 0.000 1.342 276 S CA -0.542 57.637 58.200 -0.036 0.000 1.005 276 S CB 0.750 63.891 63.200 -0.099 0.000 0.909 276 S HN 0.892 nan 8.310 nan 0.000 0.555 277 W N 2.675 123.916 121.300 -0.098 0.000 2.318 277 W HA -0.253 4.407 4.660 -0.000 0.000 0.313 277 W C 1.465 177.918 176.519 -0.109 0.000 1.221 277 W CA 1.970 59.264 57.345 -0.086 0.000 1.266 277 W CB -0.779 28.642 29.460 -0.064 0.000 1.150 277 W HN 0.755 nan 8.180 nan 0.000 0.496 278 N N 0.606 119.087 118.700 -0.365 0.000 2.223 278 N HA -0.211 4.529 4.740 -0.000 0.000 0.185 278 N C 1.713 176.918 175.510 -0.509 0.000 1.016 278 N CA 1.936 54.691 53.050 -0.492 0.000 0.863 278 N CB -0.549 37.772 38.487 -0.277 0.000 0.983 278 N HN 0.507 nan 8.380 nan 0.000 0.429 279 Q N 0.619 120.133 119.800 -0.478 0.000 2.172 279 Q HA -0.037 4.303 4.340 -0.000 0.000 0.200 279 Q C 1.937 177.769 176.000 -0.279 0.000 0.964 279 Q CA 0.815 56.338 55.803 -0.466 0.000 0.855 279 Q CB 0.039 28.492 28.738 -0.476 0.000 0.918 279 Q HN 0.440 nan 8.270 nan 0.000 0.444 280 Q N -0.151 119.462 119.800 -0.312 0.000 2.079 280 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 280 Q C 2.215 177.979 176.000 -0.393 0.000 0.974 280 Q CA 1.396 57.020 55.803 -0.298 0.000 0.840 280 Q CB -0.062 28.539 28.738 -0.229 0.000 0.898 280 Q HN 0.191 nan 8.270 nan 0.000 0.430 281 V N 0.788 120.334 119.914 -0.613 0.000 2.287 281 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 281 V C 2.203 178.117 176.094 -0.299 0.000 1.053 281 V CA 2.300 64.271 62.300 -0.548 0.000 1.027 281 V CB -0.930 30.469 31.823 -0.707 0.000 0.646 281 V HN 0.462 nan 8.190 nan 0.000 0.447 282 T N -0.836 113.566 114.554 -0.254 0.000 2.684 282 T HA -0.321 4.029 4.350 -0.000 0.000 0.267 282 T C 1.897 176.558 174.700 -0.064 0.000 1.036 282 T CA 2.040 64.073 62.100 -0.112 0.000 1.148 282 T CB -0.271 68.591 68.868 -0.010 0.000 0.863 282 T HN 0.553 nan 8.240 nan 0.000 0.436 283 Q N -0.161 119.562 119.800 -0.128 0.000 2.050 283 Q HA -0.148 4.191 4.340 -0.000 0.000 0.202 283 Q C 2.336 178.219 176.000 -0.196 0.000 0.980 283 Q CA 1.508 57.149 55.803 -0.271 0.000 0.840 283 Q CB -0.187 28.228 28.738 -0.538 0.000 0.898 283 Q HN 0.361 nan 8.270 nan 0.000 0.424 284 M N 0.231 119.724 119.600 -0.178 0.000 2.086 284 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 284 M C 1.948 178.249 176.300 0.001 0.000 1.067 284 M CA 2.010 57.261 55.300 -0.083 0.000 1.116 284 M CB -0.562 31.985 32.600 -0.087 0.000 1.348 284 M HN 0.277 nan 8.290 nan 0.000 0.407 285 A N -0.156 122.641 122.820 -0.038 0.000 1.877 285 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 285 A C 2.059 179.634 177.584 -0.014 0.000 1.186 285 A CA 1.570 53.589 52.037 -0.031 0.000 0.620 285 A CB -0.977 17.982 19.000 -0.069 0.000 0.822 285 A HN 0.514 nan 8.150 nan 0.000 0.443 286 L N -1.868 119.356 121.223 0.001 0.000 2.179 286 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 286 L C 2.350 179.261 176.870 0.067 0.000 1.096 286 L CA 0.971 55.764 54.840 -0.077 0.000 0.779 286 L CB -1.299 40.628 42.059 -0.220 0.000 0.922 286 L HN 0.659 nan 8.230 nan 0.000 0.443 287 W N -0.003 121.210 121.300 -0.144 0.000 2.425 287 W HA -0.155 4.505 4.660 -0.000 0.000 0.277 287 W C 2.360 178.815 176.519 -0.106 0.000 1.231 287 W CA 0.741 58.024 57.345 -0.102 0.000 1.248 287 W CB 0.108 29.524 29.460 -0.073 0.000 1.117 287 W HN 0.184 nan 8.180 nan 0.000 0.568 288 A N 0.461 123.342 122.820 0.103 0.000 1.854 288 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 288 A C 1.766 179.339 177.584 -0.018 0.000 1.192 288 A CA 1.235 53.278 52.037 0.010 0.000 0.611 288 A CB -0.978 18.027 19.000 0.008 0.000 0.832 288 A HN 0.038 nan 8.150 nan 0.000 0.442 289 I N -0.139 120.424 120.570 -0.012 0.000 2.185 289 I HA -0.280 3.890 4.170 -0.000 0.000 0.246 289 I C 2.370 178.500 176.117 0.022 0.000 1.088 289 I CA 1.746 63.050 61.300 0.008 0.000 1.347 289 I CB -1.092 36.913 38.000 0.009 0.000 1.041 289 I HN 0.384 nan 8.210 nan 0.000 0.415 290 M N -0.217 119.364 119.600 -0.033 0.000 2.618 290 M HA 0.122 4.602 4.480 -0.000 0.000 0.240 290 M C 0.972 177.246 176.300 -0.043 0.000 1.123 290 M CA 0.489 55.767 55.300 -0.037 0.000 1.060 290 M CB -0.072 32.414 32.600 -0.190 0.000 1.535 290 M HN 0.301 nan 8.290 nan 0.000 0.507 291 A N 1.306 124.079 122.820 -0.077 0.000 2.610 291 A HA -0.079 4.241 4.320 -0.000 0.000 0.299 291 A C 0.382 177.806 177.584 -0.267 0.000 1.487 291 A CA 0.587 52.523 52.037 -0.169 0.000 0.743 291 A CB -2.065 16.936 19.000 0.002 0.000 1.070 291 A HN 0.627 nan 8.150 nan 0.000 0.439 292 A N 0.264 122.925 122.820 -0.266 0.000 2.304 292 A HA 0.755 5.075 4.320 -0.000 0.000 0.301 292 A C -1.948 175.445 177.584 -0.319 0.000 1.132 292 A CA -1.704 50.160 52.037 -0.287 0.000 0.819 292 A CB 0.303 19.063 19.000 -0.400 0.000 1.094 292 A HN 0.374 nan 8.150 nan 0.000 0.492 293 P HA 0.156 nan 4.420 nan 0.000 0.266 293 P C -0.854 176.310 177.300 -0.227 0.000 1.195 293 P CA 0.372 63.204 63.100 -0.446 0.000 0.768 293 P CB 0.316 31.715 31.700 -0.502 0.000 0.838 294 L N 3.738 124.745 121.223 -0.359 0.000 2.426 294 L HA 0.372 4.712 4.340 -0.000 0.000 0.255 294 L C -0.428 176.378 176.870 -0.106 0.000 1.080 294 L CA -0.288 54.505 54.840 -0.078 0.000 0.960 294 L CB -0.376 41.681 42.059 -0.003 0.000 1.326 294 L HN 0.305 nan 8.230 nan 0.000 0.441 295 F N 2.075 122.123 119.950 0.163 0.000 2.313 295 F HA 0.397 4.924 4.527 -0.000 0.000 0.369 295 F C 0.774 176.587 175.800 0.023 0.000 1.109 295 F CA -0.566 57.511 58.000 0.128 0.000 1.132 295 F CB 0.909 39.959 39.000 0.084 0.000 1.291 295 F HN 0.308 nan 8.300 nan 0.000 0.496 296 M N 2.239 121.907 119.600 0.113 0.000 2.248 296 M HA 0.068 4.548 4.480 -0.000 0.000 0.345 296 M C 0.380 176.501 176.300 -0.297 0.000 1.243 296 M CA 0.498 55.740 55.300 -0.097 0.000 1.090 296 M CB 0.626 33.099 32.600 -0.212 0.000 1.683 296 M HN 0.425 nan 8.290 nan 0.000 0.450 297 S N 3.720 119.256 115.700 -0.274 0.000 2.622 297 S HA 0.540 5.010 4.470 -0.000 0.000 0.283 297 S C -1.098 173.383 174.600 -0.198 0.000 1.197 297 S CA -0.777 57.186 58.200 -0.396 0.000 1.146 297 S CB -0.014 63.044 63.200 -0.236 0.000 1.007 297 S HN 0.862 nan 8.310 nan 0.000 0.478 298 N N 1.957 120.633 118.700 -0.040 0.000 3.277 298 N HA 0.357 5.097 4.740 -0.000 0.000 0.278 298 N C -2.128 173.637 175.510 0.426 0.000 1.544 298 N CA -0.773 52.333 53.050 0.093 0.000 0.869 298 N CB 0.471 38.956 38.487 -0.003 0.000 1.584 298 N HN 0.212 nan 8.380 nan 0.000 0.564 299 D N 0.210 120.759 120.400 0.249 0.000 2.454 299 D HA 0.331 4.971 4.640 -0.000 0.000 0.225 299 D C 0.652 177.043 176.300 0.151 0.000 1.081 299 D CA -0.442 53.767 54.000 0.349 0.000 0.864 299 D CB 0.558 41.557 40.800 0.332 0.000 1.040 299 D HN 0.597 nan 8.370 nan 0.000 0.517 300 L N 3.055 124.291 121.223 0.023 0.000 2.362 300 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 300 L C 2.126 178.964 176.870 -0.052 0.000 1.134 300 L CA 0.635 55.413 54.840 -0.103 0.000 0.807 300 L CB -0.026 41.821 42.059 -0.352 0.000 0.927 300 L HN 0.233 nan 8.230 nan 0.000 0.447 301 R N -1.191 119.248 120.500 -0.101 0.000 2.161 301 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 301 R C 0.151 176.140 176.300 -0.519 0.000 1.055 301 R CA 0.620 56.539 56.100 -0.301 0.000 0.996 301 R CB 0.128 30.202 30.300 -0.375 0.000 0.901 301 R HN 0.384 nan 8.270 nan 0.000 0.456 302 H N -0.210 118.896 119.070 0.060 0.000 2.607 302 H HA 0.317 4.873 4.556 -0.000 0.000 0.248 302 H C -1.176 174.168 175.328 0.027 0.000 1.355 302 H CA -0.402 55.675 56.048 0.049 0.000 1.524 302 H CB 0.630 30.427 29.762 0.059 0.000 1.563 302 H HN 0.042 nan 8.280 nan 0.000 0.509 303 I N 2.116 122.749 120.570 0.105 0.000 2.569 303 I HA 0.211 4.380 4.170 -0.000 0.000 0.290 303 I C 0.143 176.311 176.117 0.084 0.000 1.088 303 I CA -0.576 60.778 61.300 0.090 0.000 1.047 303 I CB 1.617 39.701 38.000 0.140 0.000 1.237 303 I HN 0.385 nan 8.210 nan 0.000 0.421 304 S N 6.582 122.316 115.700 0.057 0.000 2.572 304 S HA 0.337 4.807 4.470 -0.000 0.000 0.279 304 S C -1.952 172.674 174.600 0.043 0.000 1.341 304 S CA -0.722 57.502 58.200 0.039 0.000 1.043 304 S CB 0.959 64.170 63.200 0.018 0.000 0.887 304 S HN 0.531 nan 8.310 nan 0.000 0.516 305 P HA -0.129 nan 4.420 nan 0.000 0.218 305 P C 1.586 178.878 177.300 -0.013 0.000 1.148 305 P CA 1.083 64.179 63.100 -0.007 0.000 0.822 305 P CB 0.037 31.718 31.700 -0.032 0.000 0.784 306 Q N -0.223 119.556 119.800 -0.034 0.000 1.993 306 Q HA -0.168 4.171 4.340 -0.000 0.000 0.202 306 Q C 2.117 178.182 176.000 0.109 0.000 0.984 306 Q CA 1.904 57.669 55.803 -0.064 0.000 0.837 306 Q CB -0.733 27.885 28.738 -0.200 0.000 0.902 306 Q HN 0.092 nan 8.270 nan 0.000 0.423 307 A N 1.455 124.363 122.820 0.145 0.000 1.892 307 A HA -0.289 4.030 4.320 -0.000 0.000 0.218 307 A C 2.053 179.763 177.584 0.210 0.000 1.188 307 A CA 2.050 54.206 52.037 0.197 0.000 0.631 307 A CB -0.791 18.289 19.000 0.133 0.000 0.822 307 A HN 0.485 nan 8.150 nan 0.000 0.447 308 K N -0.327 120.184 120.400 0.185 0.000 2.032 308 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 308 K C 2.087 178.694 176.600 0.010 0.000 1.048 308 K CA 1.572 57.947 56.287 0.147 0.000 0.927 308 K CB -0.399 32.125 32.500 0.040 0.000 0.712 308 K HN 0.353 nan 8.250 nan 0.000 0.441 309 A N 1.135 123.969 122.820 0.025 0.000 1.930 309 A HA -0.117 4.202 4.320 -0.000 0.000 0.217 309 A C 2.053 179.694 177.584 0.096 0.000 1.175 309 A CA 1.327 53.377 52.037 0.021 0.000 0.627 309 A CB -0.575 18.433 19.000 0.014 0.000 0.815 309 A HN 0.421 nan 8.150 nan 0.000 0.443 310 L N -0.237 121.095 121.223 0.182 0.000 2.005 310 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 310 L C 2.221 179.185 176.870 0.157 0.000 1.072 310 L CA 1.766 56.722 54.840 0.194 0.000 0.744 310 L CB -0.586 41.617 42.059 0.241 0.000 0.895 310 L HN 0.365 nan 8.230 nan 0.000 0.433 311 L N -0.818 120.527 121.223 0.203 0.000 2.187 311 L HA -0.204 4.135 4.340 -0.000 0.000 0.213 311 L C 2.082 179.175 176.870 0.373 0.000 1.100 311 L CA 1.158 56.180 54.840 0.303 0.000 0.765 311 L CB -0.405 41.906 42.059 0.420 0.000 0.904 311 L HN 0.462 nan 8.230 nan 0.000 0.437 312 Q N -1.206 118.706 119.800 0.186 0.000 2.247 312 Q HA 0.024 4.364 4.340 -0.000 0.000 0.204 312 Q C 0.003 176.044 176.000 0.068 0.000 0.872 312 Q CA -0.292 55.576 55.803 0.108 0.000 0.951 312 Q CB 0.351 29.004 28.738 -0.142 0.000 1.099 312 Q HN 0.243 nan 8.270 nan 0.000 0.501 313 D N 2.049 122.500 120.400 0.085 0.000 2.402 313 D HA -0.083 4.557 4.640 -0.000 0.000 0.268 313 D C 0.809 177.132 176.300 0.038 0.000 1.294 313 D CA 0.547 54.581 54.000 0.057 0.000 0.945 313 D CB 0.731 41.572 40.800 0.068 0.000 1.112 313 D HN 0.102 nan 8.370 nan 0.000 0.517 314 K N 3.368 123.779 120.400 0.019 0.000 2.020 314 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 314 K C 0.979 177.581 176.600 0.003 0.000 1.050 314 K CA 1.414 57.703 56.287 0.005 0.000 0.929 314 K CB 0.229 32.728 32.500 -0.001 0.000 0.714 314 K HN 0.416 nan 8.250 nan 0.000 0.443 315 D N 0.051 120.457 120.400 0.011 0.000 2.144 315 D HA -0.126 4.513 4.640 -0.000 0.000 0.199 315 D C 1.973 178.279 176.300 0.010 0.000 0.984 315 D CA 1.024 55.031 54.000 0.012 0.000 0.834 315 D CB -0.075 40.738 40.800 0.022 0.000 0.955 315 D HN 0.081 nan 8.370 nan 0.000 0.465 316 V N 1.288 121.211 119.914 0.015 0.000 2.379 316 V HA -0.160 3.959 4.120 -0.000 0.000 0.245 316 V C 2.562 178.653 176.094 -0.004 0.000 1.044 316 V CA 0.847 63.154 62.300 0.012 0.000 1.036 316 V CB -0.289 31.547 31.823 0.022 0.000 0.664 316 V HN 0.148 nan 8.190 nan 0.000 0.453 317 I N 0.837 121.402 120.570 -0.007 0.000 2.208 317 I HA -0.270 3.899 4.170 -0.000 0.000 0.245 317 I C 2.648 178.727 176.117 -0.063 0.000 1.097 317 I CA 1.577 62.849 61.300 -0.047 0.000 1.363 317 I CB -0.549 37.414 38.000 -0.062 0.000 1.051 317 I HN 0.301 nan 8.210 nan 0.000 0.413 318 A N 0.778 123.574 122.820 -0.041 0.000 1.972 318 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 318 A C 2.270 179.830 177.584 -0.041 0.000 1.169 318 A CA 1.340 53.354 52.037 -0.039 0.000 0.635 318 A CB -0.682 18.305 19.000 -0.021 0.000 0.810 318 A HN 0.392 nan 8.150 nan 0.000 0.446 319 I N -0.034 120.516 120.570 -0.033 0.000 2.163 319 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 319 I C 2.560 178.640 176.117 -0.061 0.000 1.081 319 I CA 1.468 62.748 61.300 -0.034 0.000 1.353 319 I CB -0.455 37.536 38.000 -0.015 0.000 1.054 319 I HN 0.497 nan 8.210 nan 0.000 0.407 320 N N 0.927 119.581 118.700 -0.076 0.000 2.149 320 N HA -0.233 4.507 4.740 -0.000 0.000 0.188 320 N C 1.578 176.970 175.510 -0.196 0.000 1.019 320 N CA 1.438 54.411 53.050 -0.129 0.000 0.857 320 N CB 0.056 38.469 38.487 -0.123 0.000 0.997 320 N HN 0.378 nan 8.380 nan 0.000 0.426 321 Q N 0.901 120.607 119.800 -0.157 0.000 2.365 321 Q HA 0.019 4.359 4.340 -0.000 0.000 0.203 321 Q C -0.543 175.402 176.000 -0.092 0.000 0.929 321 Q CA -0.081 55.628 55.803 -0.157 0.000 0.948 321 Q CB -0.586 28.076 28.738 -0.127 0.000 1.043 321 Q HN 0.406 nan 8.270 nan 0.000 0.505 322 D N 2.337 122.695 120.400 -0.071 0.000 2.581 322 D HA -0.079 4.561 4.640 -0.000 0.000 0.238 322 D C -1.187 175.119 176.300 0.010 0.000 1.145 322 D CA -0.774 53.207 54.000 -0.031 0.000 0.866 322 D CB 1.022 41.800 40.800 -0.035 0.000 1.151 322 D HN -0.012 nan 8.370 nan 0.000 0.500 323 P HA -0.187 nan 4.420 nan 0.000 0.219 323 P C 1.538 178.884 177.300 0.077 0.000 1.146 323 P CA 0.432 63.565 63.100 0.055 0.000 0.808 323 P CB 0.143 31.863 31.700 0.035 0.000 0.779 324 L N 0.187 121.438 121.223 0.048 0.000 2.131 324 L HA 0.070 4.410 4.340 -0.000 0.000 0.210 324 L C 1.534 178.462 176.870 0.098 0.000 1.092 324 L CA 2.000 56.866 54.840 0.043 0.000 0.759 324 L CB -1.556 40.498 42.059 -0.008 0.000 0.903 324 L HN 0.255 nan 8.230 nan 0.000 0.435 325 G N 0.225 109.124 108.800 0.165 0.000 2.273 325 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.280 325 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.280 325 G C 0.339 175.412 174.900 0.287 0.000 1.047 325 G CA 0.583 45.905 45.100 0.371 0.000 0.869 325 G HN 0.451 nan 8.290 nan 0.000 0.502 326 K N 0.187 120.673 120.400 0.144 0.000 2.253 326 K HA 0.321 4.640 4.320 -0.000 0.000 0.277 326 K C 0.638 177.314 176.600 0.126 0.000 1.053 326 K CA -0.488 55.863 56.287 0.106 0.000 0.892 326 K CB 1.151 33.667 32.500 0.026 0.000 1.102 326 K HN 0.460 nan 8.250 nan 0.000 0.469 327 Q N 1.760 121.663 119.800 0.171 0.000 2.337 327 Q HA 0.097 4.437 4.340 -0.000 0.000 0.270 327 Q C 0.218 176.328 176.000 0.183 0.000 1.002 327 Q CA -0.131 55.775 55.803 0.171 0.000 0.888 327 Q CB 0.754 29.602 28.738 0.184 0.000 1.222 327 Q HN 0.777 nan 8.270 nan 0.000 0.400 328 G N 2.109 110.993 108.800 0.140 0.000 2.653 328 G HA2 0.357 4.317 3.960 -0.000 0.000 0.265 328 G HA3 0.357 4.317 3.960 -0.000 0.000 0.265 328 G C -1.228 173.806 174.900 0.224 0.000 1.237 328 G CA -0.076 45.078 45.100 0.090 0.000 0.946 328 G HN 0.749 nan 8.290 nan 0.000 0.522 329 Y N -3.650 116.765 120.300 0.192 0.000 2.656 329 Y HA 0.553 5.103 4.550 -0.000 0.000 0.334 329 Y C -0.424 175.312 175.900 -0.273 0.000 1.179 329 Y CA -1.447 56.638 58.100 -0.025 0.000 1.050 329 Y CB 1.123 39.546 38.460 -0.062 0.000 1.308 329 Y HN 0.556 nan 8.280 nan 0.000 0.456 330 Q N 1.822 121.209 119.800 -0.687 0.000 2.293 330 Q HA 0.242 4.582 4.340 -0.000 0.000 0.263 330 Q C -0.223 175.615 176.000 -0.270 0.000 1.002 330 Q CA -0.329 54.840 55.803 -1.056 0.000 0.910 330 Q CB 1.327 29.239 28.738 -1.375 0.000 1.185 330 Q HN 0.918 nan 8.270 nan 0.000 0.401 331 L N 4.764 125.898 121.223 -0.150 0.000 2.102 331 L HA 0.185 4.525 4.340 -0.000 0.000 0.202 331 L C 0.062 176.913 176.870 -0.030 0.000 1.076 331 L CA 1.409 56.269 54.840 0.033 0.000 0.761 331 L CB 0.281 42.376 42.059 0.061 0.000 0.921 331 L HN 0.568 nan 8.230 nan 0.000 0.444 332 R N -0.568 119.898 120.500 -0.058 0.000 2.740 332 R HA 0.548 4.888 4.340 -0.000 0.000 0.273 332 R C -1.427 174.861 176.300 -0.019 0.000 0.998 332 R CA -0.657 55.433 56.100 -0.017 0.000 0.900 332 R CB 1.922 32.253 30.300 0.051 0.000 1.223 332 R HN 0.238 nan 8.270 nan 0.000 0.466 333 Q N -0.079 119.728 119.800 0.013 0.000 2.340 333 Q HA 0.775 5.115 4.340 -0.000 0.000 0.276 333 Q C -0.893 175.152 176.000 0.074 0.000 1.048 333 Q CA -1.135 54.697 55.803 0.048 0.000 0.832 333 Q CB 2.766 31.524 28.738 0.032 0.000 1.373 333 Q HN 0.785 nan 8.270 nan 0.000 0.409 334 G N 1.017 109.884 108.800 0.111 0.000 2.384 334 G HA2 0.343 4.303 3.960 -0.000 0.000 0.300 334 G HA3 0.343 4.303 3.960 -0.000 0.000 0.300 334 G C -1.012 173.994 174.900 0.176 0.000 1.582 334 G CA -0.179 44.995 45.100 0.123 0.000 0.875 334 G HN 0.833 nan 8.290 nan 0.000 0.628 335 D N 0.035 120.508 120.400 0.122 0.000 2.702 335 D HA -0.238 4.401 4.640 -0.000 0.000 0.233 335 D C 0.867 177.125 176.300 -0.071 0.000 1.164 335 D CA 1.897 55.952 54.000 0.092 0.000 0.638 335 D CB -1.320 39.608 40.800 0.213 0.000 1.041 335 D HN 1.010 nan 8.370 nan 0.000 0.422 336 N N -1.631 117.020 118.700 -0.081 0.000 2.714 336 N HA -0.254 4.485 4.740 -0.000 0.000 0.250 336 N C -0.615 174.705 175.510 -0.316 0.000 1.117 336 N CA 0.920 53.863 53.050 -0.179 0.000 0.719 336 N CB -0.908 37.446 38.487 -0.222 0.000 1.081 336 N HN 0.368 nan 8.380 nan 0.000 0.557 337 F N 0.640 120.582 119.950 -0.014 0.000 2.492 337 F HA 0.474 5.001 4.527 -0.000 0.000 0.327 337 F C 0.599 176.347 175.800 -0.087 0.000 1.079 337 F CA -0.725 57.206 58.000 -0.115 0.000 0.967 337 F CB 1.448 40.251 39.000 -0.327 0.000 1.169 337 F HN -0.141 nan 8.300 nan 0.000 0.472 338 E N 1.345 121.640 120.200 0.158 0.000 2.238 338 E HA 0.595 4.945 4.350 -0.000 0.000 0.267 338 E C -1.506 175.175 176.600 0.136 0.000 0.887 338 E CA -0.956 55.548 56.400 0.174 0.000 0.769 338 E CB 3.017 32.944 29.700 0.378 0.000 1.187 338 E HN 0.220 nan 8.360 nan 0.000 0.416 339 V N 2.459 122.430 119.914 0.096 0.000 2.448 339 V HA 0.415 4.535 4.120 -0.000 0.000 0.295 339 V C -1.127 175.058 176.094 0.152 0.000 1.025 339 V CA -0.816 61.551 62.300 0.111 0.000 0.859 339 V CB 0.565 32.410 31.823 0.036 0.000 0.988 339 V HN 0.602 nan 8.190 nan 0.000 0.431 340 W N 2.628 123.901 121.300 -0.045 0.000 2.781 340 W HA 0.773 5.433 4.660 -0.000 0.000 0.345 340 W C 0.043 176.488 176.519 -0.123 0.000 1.085 340 W CA -0.707 56.591 57.345 -0.079 0.000 1.198 340 W CB 1.464 30.892 29.460 -0.053 0.000 1.423 340 W HN 0.686 nan 8.180 nan 0.000 0.532 341 E N 0.988 121.150 120.200 -0.064 0.000 2.408 341 E HA 0.761 5.111 4.350 -0.000 0.000 0.275 341 E C -1.461 175.036 176.600 -0.173 0.000 0.935 341 E CA -1.447 54.919 56.400 -0.056 0.000 0.775 341 E CB 2.963 32.672 29.700 0.015 0.000 1.277 341 E HN 0.462 nan 8.360 nan 0.000 0.455 342 R N 1.633 122.170 120.500 0.062 0.000 2.533 342 R HA 0.381 4.721 4.340 -0.000 0.000 0.288 342 R C -2.776 173.393 176.300 -0.219 0.000 1.039 342 R CA -2.052 54.024 56.100 -0.040 0.000 0.909 342 R CB 2.114 32.401 30.300 -0.020 0.000 1.195 342 R HN 0.423 nan 8.270 nan 0.000 0.438 343 P HA 0.176 nan 4.420 nan 0.000 0.276 343 P C -0.807 176.159 177.300 -0.557 0.000 1.230 343 P CA -0.092 62.275 63.100 -1.222 0.000 0.776 343 P CB 1.141 32.199 31.700 -1.071 0.000 0.888 344 L N 1.021 121.941 121.223 -0.505 0.000 2.260 344 L HA 0.457 4.796 4.340 -0.000 0.000 0.265 344 L C 0.914 177.678 176.870 -0.175 0.000 1.015 344 L CA -1.118 53.583 54.840 -0.230 0.000 0.826 344 L CB 0.975 42.954 42.059 -0.134 0.000 1.373 344 L HN 0.240 nan 8.230 nan 0.000 0.450 345 S N 0.034 115.681 115.700 -0.087 0.000 2.573 345 S HA 0.281 4.751 4.470 -0.000 0.000 0.277 345 S C 0.828 175.409 174.600 -0.032 0.000 1.346 345 S CA 0.367 58.538 58.200 -0.048 0.000 1.034 345 S CB 0.772 63.960 63.200 -0.020 0.000 0.879 345 S HN 1.021 nan 8.310 nan 0.000 0.528 346 G N 0.938 109.732 108.800 -0.011 0.000 2.305 346 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.287 346 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.287 346 G C 0.383 175.304 174.900 0.035 0.000 1.036 346 G CA 0.182 45.291 45.100 0.015 0.000 0.887 346 G HN 1.115 nan 8.290 nan 0.000 0.505 347 L N -4.121 117.118 121.223 0.026 0.000 4.496 347 L HA -0.224 4.115 4.340 -0.000 0.000 0.419 347 L C 1.434 178.397 176.870 0.155 0.000 1.139 347 L CA 0.832 55.728 54.840 0.093 0.000 0.975 347 L CB -2.011 40.126 42.059 0.130 0.000 2.099 347 L HN 1.445 nan 8.230 nan 0.000 0.818 348 A N -1.205 121.647 122.820 0.054 0.000 2.279 348 A HA 0.691 5.010 4.320 -0.000 0.000 0.303 348 A C -0.719 176.864 177.584 -0.001 0.000 1.108 348 A CA -0.036 52.071 52.037 0.117 0.000 0.830 348 A CB 0.480 19.521 19.000 0.069 0.000 1.106 348 A HN 0.262 nan 8.150 nan 0.000 0.493 349 W N -0.892 120.434 121.300 0.043 0.000 2.936 349 W HA 0.605 5.265 4.660 -0.000 0.000 0.338 349 W C -0.043 176.484 176.519 0.014 0.000 1.121 349 W CA -0.038 57.325 57.345 0.029 0.000 1.209 349 W CB 2.108 31.587 29.460 0.030 0.000 1.420 349 W HN 0.887 nan 8.180 nan 0.000 0.516 350 A N 1.776 124.723 122.820 0.212 0.000 2.324 350 A HA 0.886 5.206 4.320 -0.000 0.000 0.330 350 A C -1.376 176.298 177.584 0.149 0.000 1.165 350 A CA -0.644 51.473 52.037 0.133 0.000 0.813 350 A CB 0.955 19.992 19.000 0.063 0.000 1.197 350 A HN 0.459 nan 8.150 nan 0.000 0.484 351 V N 1.075 121.047 119.914 0.098 0.000 2.638 351 V HA 0.728 4.848 4.120 -0.000 0.000 0.306 351 V C 0.122 176.250 176.094 0.056 0.000 1.052 351 V CA -0.311 62.036 62.300 0.079 0.000 0.885 351 V CB 1.621 33.471 31.823 0.045 0.000 0.999 351 V HN 1.289 nan 8.190 nan 0.000 0.424 352 A N 6.092 128.957 122.820 0.076 0.000 2.343 352 A HA 0.947 5.266 4.320 -0.000 0.000 0.316 352 A C -0.676 176.950 177.584 0.069 0.000 1.104 352 A CA -0.592 51.473 52.037 0.046 0.000 0.768 352 A CB 1.222 20.217 19.000 -0.008 0.000 1.213 352 A HN 0.815 nan 8.150 nan 0.000 0.456 353 M N 3.670 123.285 119.600 0.025 0.000 2.134 353 M HA 0.440 4.920 4.480 -0.000 0.000 0.310 353 M C -1.111 175.207 176.300 0.031 0.000 0.966 353 M CA 0.082 55.380 55.300 -0.003 0.000 0.922 353 M CB 1.357 33.918 32.600 -0.064 0.000 1.537 353 M HN 0.536 nan 8.290 nan 0.000 0.424 354 I N 2.343 122.961 120.570 0.079 0.000 2.437 354 I HA 0.357 4.527 4.170 -0.000 0.000 0.298 354 I C 0.024 176.244 176.117 0.172 0.000 0.984 354 I CA -0.757 60.607 61.300 0.107 0.000 1.214 354 I CB 1.493 39.567 38.000 0.123 0.000 1.365 354 I HN 0.587 nan 8.210 nan 0.000 0.469 355 N N 5.025 123.804 118.700 0.132 0.000 2.501 355 N HA 0.230 4.970 4.740 -0.000 0.000 0.245 355 N C 0.389 175.912 175.510 0.020 0.000 0.974 355 N CA -0.402 52.674 53.050 0.042 0.000 0.941 355 N CB 0.881 39.405 38.487 0.061 0.000 1.122 355 N HN 0.395 nan 8.380 nan 0.000 0.507 356 R N 1.540 122.034 120.500 -0.009 0.000 2.310 356 R HA 0.034 4.374 4.340 -0.000 0.000 0.202 356 R C 0.090 176.409 176.300 0.031 0.000 0.933 356 R CA 0.038 56.190 56.100 0.087 0.000 1.054 356 R CB -0.017 30.330 30.300 0.078 0.000 0.985 356 R HN 0.636 nan 8.270 nan 0.000 0.489 357 Q N 1.807 121.557 119.800 -0.084 0.000 2.296 357 Q HA 0.008 4.348 4.340 -0.000 0.000 0.263 357 Q C -0.456 175.533 176.000 -0.017 0.000 1.026 357 Q CA 0.276 56.035 55.803 -0.073 0.000 0.912 357 Q CB 0.597 29.242 28.738 -0.155 0.000 1.198 357 Q HN 0.154 nan 8.270 nan 0.000 0.407 358 E N 5.130 125.344 120.200 0.025 0.000 2.336 358 E HA 0.223 4.573 4.350 -0.000 0.000 0.214 358 E C -0.426 176.184 176.600 0.017 0.000 1.144 358 E CA -0.012 56.412 56.400 0.040 0.000 1.294 358 E CB 0.190 29.954 29.700 0.107 0.000 1.263 358 E HN 0.537 nan 8.360 nan 0.000 0.439 359 I N -1.178 119.393 120.570 0.001 0.000 3.004 359 I HA 0.459 4.629 4.170 -0.000 0.000 0.305 359 I C 0.068 176.185 176.117 0.001 0.000 1.312 359 I CA -0.109 61.193 61.300 0.003 0.000 0.992 359 I CB 1.675 39.678 38.000 0.006 0.000 1.282 359 I HN 0.309 nan 8.210 nan 0.000 0.449 360 G N 3.280 112.085 108.800 0.008 0.000 2.512 360 G HA2 0.083 4.043 3.960 -0.000 0.000 0.240 360 G HA3 0.083 4.043 3.960 -0.000 0.000 0.240 360 G C -0.140 174.773 174.900 0.022 0.000 1.246 360 G CA -0.126 44.984 45.100 0.017 0.000 0.919 360 G HN 1.347 nan 8.290 nan 0.000 0.577 361 G N -0.781 108.042 108.800 0.039 0.000 3.108 361 G HA2 0.798 4.758 3.960 -0.000 0.000 0.268 361 G HA3 0.798 4.758 3.960 -0.000 0.000 0.268 361 G C -2.968 171.981 174.900 0.082 0.000 1.361 361 G CA -0.531 44.600 45.100 0.052 0.000 1.047 361 G HN 0.694 nan 8.290 nan 0.000 0.540 362 P HA 0.179 nan 4.420 nan 0.000 0.262 362 P C -0.433 177.020 177.300 0.255 0.000 1.182 362 P CA 0.368 63.569 63.100 0.168 0.000 0.761 362 P CB 0.510 32.306 31.700 0.159 0.000 0.795 363 R N 1.962 122.623 120.500 0.269 0.000 2.599 363 R HA 0.460 4.800 4.340 -0.000 0.000 0.295 363 R C -0.276 176.157 176.300 0.222 0.000 0.963 363 R CA -0.651 55.620 56.100 0.285 0.000 0.883 363 R CB 1.231 31.697 30.300 0.277 0.000 1.171 363 R HN 0.382 nan 8.270 nan 0.000 0.450 364 S N 2.795 118.490 115.700 -0.007 0.000 2.528 364 S HA 0.165 4.634 4.470 -0.000 0.000 0.277 364 S C -1.287 173.210 174.600 -0.171 0.000 1.297 364 S CA -0.137 57.847 58.200 -0.360 0.000 1.052 364 S CB 0.346 63.284 63.200 -0.435 0.000 0.917 364 S HN 0.481 nan 8.310 nan 0.000 0.492 365 Y N 3.505 123.522 120.300 -0.471 0.000 2.406 365 Y HA 0.528 5.078 4.550 -0.000 0.000 0.340 365 Y C -0.154 175.521 175.900 -0.375 0.000 0.975 365 Y CA -0.483 57.226 58.100 -0.650 0.000 1.056 365 Y CB 1.859 39.648 38.460 -1.118 0.000 1.210 365 Y HN 0.772 nan 8.280 nan 0.000 0.448 366 T N 5.138 119.100 114.554 -0.987 0.000 2.893 366 T HA 0.769 5.119 4.350 -0.000 0.000 0.291 366 T C -1.397 172.809 174.700 -0.823 0.000 1.028 366 T CA -0.682 61.017 62.100 -0.667 0.000 0.995 366 T CB 1.661 70.309 68.868 -0.366 0.000 1.051 366 T HN 0.768 nan 8.240 nan 0.000 0.470 367 I N 1.453 121.758 120.570 -0.441 0.000 2.752 367 I HA 0.665 4.835 4.170 -0.000 0.000 0.295 367 I C -0.483 175.518 176.117 -0.193 0.000 1.219 367 I CA -1.135 59.987 61.300 -0.296 0.000 1.030 367 I CB 1.911 39.825 38.000 -0.143 0.000 1.259 367 I HN 1.087 nan 8.210 nan 0.000 0.423 368 A N 5.393 128.106 122.820 -0.179 0.000 2.488 368 A HA 0.328 4.648 4.320 -0.000 0.000 0.249 368 A C 1.115 178.592 177.584 -0.177 0.000 1.083 368 A CA 0.167 52.096 52.037 -0.180 0.000 0.768 368 A CB 0.508 19.380 19.000 -0.214 0.000 1.017 368 A HN 1.116 nan 8.150 nan 0.000 0.496 369 V N 0.638 120.459 119.914 -0.155 0.000 2.913 369 V HA -0.070 4.050 4.120 -0.000 0.000 0.260 369 V C 2.013 178.020 176.094 -0.146 0.000 1.098 369 V CA 2.071 64.294 62.300 -0.128 0.000 1.121 369 V CB -1.358 30.434 31.823 -0.052 0.000 0.714 369 V HN 0.995 nan 8.190 nan 0.000 0.487 370 A N 0.413 123.052 122.820 -0.302 0.000 2.067 370 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 370 A C 2.336 179.786 177.584 -0.223 0.000 1.158 370 A CA 1.757 53.502 52.037 -0.487 0.000 0.661 370 A CB -0.627 17.674 19.000 -1.166 0.000 0.801 370 A HN 0.582 nan 8.150 nan 0.000 0.452 371 S N -0.578 115.010 115.700 -0.188 0.000 2.527 371 S HA 0.238 4.707 4.470 -0.000 0.000 0.222 371 S C 0.554 175.083 174.600 -0.119 0.000 0.985 371 S CA 0.001 58.128 58.200 -0.121 0.000 0.921 371 S CB -0.265 62.872 63.200 -0.106 0.000 0.772 371 S HN 0.455 nan 8.310 nan 0.000 0.529 372 L N 0.610 121.739 121.223 -0.156 0.000 2.379 372 L HA 0.512 4.852 4.340 -0.000 0.000 0.269 372 L C 1.284 177.882 176.870 -0.452 0.000 1.084 372 L CA -0.472 54.227 54.840 -0.236 0.000 0.802 372 L CB 0.288 42.227 42.059 -0.200 0.000 1.175 372 L HN 0.266 nan 8.230 nan 0.000 0.448 373 G N 1.333 109.620 108.800 -0.855 0.000 2.390 373 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.299 373 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.299 373 G C 0.651 174.985 174.900 -0.942 0.000 1.002 373 G CA 0.888 44.790 45.100 -1.997 0.000 0.979 373 G HN 0.829 nan 8.290 nan 0.000 0.513 374 K N -2.633 117.522 120.400 -0.409 0.000 3.193 374 K HA -0.261 4.058 4.320 -0.000 0.000 0.294 374 K C 1.752 178.344 176.600 -0.013 0.000 1.185 374 K CA 1.413 57.647 56.287 -0.088 0.000 0.866 374 K CB -1.539 30.999 32.500 0.063 0.000 1.227 374 K HN 2.246 nan 8.250 nan 0.000 0.467 375 G N -0.940 107.854 108.800 -0.010 0.000 2.175 375 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.244 375 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.244 375 G C 0.536 175.544 174.900 0.180 0.000 0.982 375 G CA 0.590 45.820 45.100 0.217 0.000 0.641 375 G HN 0.640 nan 8.290 nan 0.000 0.527 376 V N -2.653 117.281 119.914 0.034 0.000 3.379 376 V HA 0.665 4.785 4.120 -0.000 0.000 0.249 376 V C 2.738 178.869 176.094 0.062 0.000 1.184 376 V CA 1.279 63.605 62.300 0.044 0.000 1.106 376 V CB -0.475 31.410 31.823 0.103 0.000 0.826 376 V HN 1.214 nan 8.190 nan 0.000 0.465 377 A N 0.195 122.974 122.820 -0.068 0.000 1.903 377 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 377 A C 1.849 179.497 177.584 0.106 0.000 1.191 377 A CA 2.512 54.535 52.037 -0.024 0.000 0.638 377 A CB -1.070 17.731 19.000 -0.332 0.000 0.823 377 A HN 0.728 nan 8.150 nan 0.000 0.451 378 c N -0.511 118.173 118.600 0.140 0.000 2.741 378 c HA 0.374 4.944 4.570 -0.000 0.000 0.267 378 c C 0.399 174.689 174.090 0.333 0.000 1.549 378 c CA -0.861 55.605 56.329 0.228 0.000 1.772 378 c CB -2.015 40.619 42.510 0.207 0.000 2.962 378 c HN 0.606 nan 8.230 nan 0.000 0.514 379 N N 1.932 120.729 118.700 0.162 0.000 2.444 379 N HA 0.276 5.016 4.740 -0.000 0.000 0.262 379 N C -1.596 173.872 175.510 -0.071 0.000 0.974 379 N CA -1.201 51.782 53.050 -0.113 0.000 0.933 379 N CB 1.812 39.937 38.487 -0.604 0.000 1.137 379 N HN 0.106 nan 8.380 nan 0.000 0.498 380 P HA 0.189 nan 4.420 nan 0.000 0.240 380 P C -0.713 176.680 177.300 0.156 0.000 1.190 380 P CA 0.382 63.482 63.100 -0.000 0.000 0.781 380 P CB 0.552 32.241 31.700 -0.018 0.000 0.931 381 A N -0.637 122.287 122.820 0.173 0.000 2.601 381 A HA 0.628 4.948 4.320 -0.000 0.000 0.291 381 A C -1.230 176.517 177.584 0.273 0.000 1.075 381 A CA -0.328 51.853 52.037 0.241 0.000 0.671 381 A CB 0.879 20.005 19.000 0.210 0.000 1.277 381 A HN 0.255 nan 8.150 nan 0.000 0.417 382 c N -1.369 117.431 118.600 0.334 0.000 2.888 382 c HA 0.850 5.420 4.570 -0.000 0.000 0.308 382 c C -0.775 173.541 174.090 0.377 0.000 1.213 382 c CA -1.018 55.504 56.329 0.321 0.000 1.461 382 c CB 0.447 43.084 42.510 0.212 0.000 1.934 382 c HN 1.118 nan 8.230 nan 0.000 0.474 383 F N 2.436 122.475 119.950 0.149 0.000 2.411 383 F HA 0.759 5.286 4.527 -0.000 0.000 0.350 383 F C -0.080 175.718 175.800 -0.003 0.000 1.114 383 F CA -0.726 57.228 58.000 -0.077 0.000 1.135 383 F CB 0.593 39.383 39.000 -0.350 0.000 1.120 383 F HN 0.567 nan 8.300 nan 0.000 0.495 384 I N 5.402 125.761 120.570 -0.353 0.000 2.378 384 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 384 I C -0.589 175.427 176.117 -0.167 0.000 0.992 384 I CA -0.487 60.698 61.300 -0.192 0.000 1.154 384 I CB 1.809 39.608 38.000 -0.336 0.000 1.315 384 I HN 0.488 nan 8.210 nan 0.000 0.448 385 T N 5.453 120.026 114.554 0.032 0.000 2.809 385 T HA 0.217 4.567 4.350 -0.000 0.000 0.284 385 T C -0.362 174.364 174.700 0.043 0.000 0.992 385 T CA -0.488 61.665 62.100 0.090 0.000 0.957 385 T CB 1.458 70.435 68.868 0.183 0.000 0.942 385 T HN 0.523 nan 8.240 nan 0.000 0.439 386 Q N 3.215 123.034 119.800 0.032 0.000 2.314 386 Q HA 0.324 4.664 4.340 -0.000 0.000 0.258 386 Q C 0.102 176.130 176.000 0.046 0.000 0.954 386 Q CA -0.176 55.646 55.803 0.031 0.000 0.890 386 Q CB 0.562 29.319 28.738 0.032 0.000 1.210 386 Q HN 0.702 nan 8.270 nan 0.000 0.410 387 L N 3.353 124.601 121.223 0.041 0.000 2.467 387 L HA 0.290 4.630 4.340 -0.000 0.000 0.213 387 L C 0.050 176.949 176.870 0.049 0.000 1.053 387 L CA 0.193 55.059 54.840 0.044 0.000 0.847 387 L CB 0.415 42.496 42.059 0.037 0.000 1.075 387 L HN 0.491 nan 8.230 nan 0.000 0.479 388 L N 0.104 121.349 121.223 0.037 0.000 2.388 388 L HA 0.359 4.699 4.340 -0.000 0.000 0.264 388 L C -1.827 175.063 176.870 0.033 0.000 0.998 388 L CA -1.530 53.330 54.840 0.033 0.000 0.817 388 L CB 2.597 44.646 42.059 -0.016 0.000 1.338 388 L HN -0.302 nan 8.230 nan 0.000 0.414 389 P HA -0.048 nan 4.420 nan 0.000 0.225 389 P C -0.007 177.414 177.300 0.202 0.000 1.156 389 P CA 0.773 63.947 63.100 0.122 0.000 0.787 389 P CB 0.323 32.128 31.700 0.176 0.000 0.802 390 V N -4.138 115.857 119.914 0.134 0.000 3.078 390 V HA 0.527 4.646 4.120 -0.000 0.000 0.311 390 V C -0.403 175.738 176.094 0.079 0.000 1.138 390 V CA -1.841 60.527 62.300 0.112 0.000 1.007 390 V CB 2.307 34.185 31.823 0.091 0.000 1.045 390 V HN -0.266 nan 8.190 nan 0.000 0.432 391 K N 2.242 122.683 120.400 0.068 0.000 2.297 391 K HA 0.558 4.878 4.320 -0.000 0.000 0.286 391 K C -0.467 176.167 176.600 0.056 0.000 1.053 391 K CA -0.433 55.889 56.287 0.059 0.000 0.940 391 K CB 0.589 33.120 32.500 0.052 0.000 1.019 391 K HN 0.829 nan 8.250 nan 0.000 0.475 392 R N 3.879 124.415 120.500 0.060 0.000 2.523 392 R HA 0.112 4.452 4.340 -0.000 0.000 0.278 392 R C -1.231 175.112 176.300 0.072 0.000 1.150 392 R CA -0.703 55.433 56.100 0.061 0.000 0.987 392 R CB 1.329 31.660 30.300 0.052 0.000 1.232 392 R HN 0.609 nan 8.270 nan 0.000 0.424 393 K N 4.073 124.535 120.400 0.102 0.000 2.416 393 K HA 0.123 4.443 4.320 -0.000 0.000 0.283 393 K C 1.011 177.621 176.600 0.018 0.000 1.037 393 K CA 0.117 56.490 56.287 0.143 0.000 0.995 393 K CB 0.867 33.544 32.500 0.295 0.000 0.938 393 K HN 0.453 nan 8.250 nan 0.000 0.475 394 L N 1.795 122.953 121.223 -0.109 0.000 2.513 394 L HA 0.156 4.496 4.340 -0.000 0.000 0.222 394 L C 1.063 177.830 176.870 -0.171 0.000 1.096 394 L CA 0.203 55.006 54.840 -0.061 0.000 0.857 394 L CB -0.159 41.927 42.059 0.045 0.000 1.026 394 L HN 1.054 nan 8.230 nan 0.000 0.469 395 G N -0.060 108.345 108.800 -0.658 0.000 2.466 395 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.316 395 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.316 395 G C -0.902 173.481 174.900 -0.862 0.000 1.270 395 G CA -0.912 43.719 45.100 -0.781 0.000 0.982 395 G HN -0.132 nan 8.290 nan 0.000 0.506 396 F N 0.408 120.190 119.950 -0.280 0.000 2.412 396 F HA 0.662 5.189 4.527 -0.000 0.000 0.348 396 F C 0.284 175.968 175.800 -0.193 0.000 1.102 396 F CA 0.171 58.135 58.000 -0.060 0.000 1.196 396 F CB 1.087 40.129 39.000 0.070 0.000 1.144 396 F HN 0.376 nan 8.300 nan 0.000 0.541 397 Y N 2.218 122.614 120.300 0.160 0.000 2.331 397 Y HA 0.322 4.872 4.550 -0.000 0.000 0.334 397 Y C 0.144 176.126 175.900 0.137 0.000 0.960 397 Y CA -1.100 57.054 58.100 0.090 0.000 1.130 397 Y CB 1.044 39.514 38.460 0.017 0.000 1.164 397 Y HN 0.452 nan 8.280 nan 0.000 0.458 398 E N 2.233 122.550 120.200 0.195 0.000 2.349 398 E HA -0.107 4.243 4.350 -0.000 0.000 0.262 398 E C 1.033 177.780 176.600 0.245 0.000 1.088 398 E CA -0.334 56.184 56.400 0.196 0.000 0.899 398 E CB 0.604 30.378 29.700 0.123 0.000 1.044 398 E HN 0.963 nan 8.360 nan 0.000 0.420 399 W N 2.516 123.849 121.300 0.056 0.000 2.292 399 W HA -0.296 4.363 4.660 -0.000 0.000 0.304 399 W C 1.301 177.833 176.519 0.023 0.000 1.228 399 W CA 2.337 59.702 57.345 0.033 0.000 1.241 399 W CB 0.126 29.599 29.460 0.020 0.000 1.142 399 W HN 0.530 nan 8.180 nan 0.000 0.520 400 T N -1.717 112.831 114.554 -0.010 0.000 3.088 400 T HA 0.044 4.394 4.350 -0.000 0.000 0.259 400 T C 1.000 175.636 174.700 -0.107 0.000 1.122 400 T CA 0.435 62.452 62.100 -0.139 0.000 1.095 400 T CB -0.229 68.620 68.868 -0.032 0.000 0.930 400 T HN -0.112 nan 8.240 nan 0.000 0.508 401 S N 1.409 117.095 115.700 -0.023 0.000 2.600 401 S HA 0.423 4.893 4.470 -0.000 0.000 0.265 401 S C 0.251 174.855 174.600 0.007 0.000 1.325 401 S CA -0.638 57.581 58.200 0.033 0.000 1.002 401 S CB 0.597 63.900 63.200 0.171 0.000 0.921 401 S HN 0.422 nan 8.310 nan 0.000 0.554 402 R N 0.826 121.349 120.500 0.038 0.000 2.562 402 R HA 0.434 4.774 4.340 -0.000 0.000 0.298 402 R C -0.956 175.396 176.300 0.087 0.000 0.961 402 R CA -0.631 55.466 56.100 -0.006 0.000 0.881 402 R CB 1.271 31.530 30.300 -0.067 0.000 1.159 402 R HN 0.487 nan 8.270 nan 0.000 0.450 403 L N 4.520 125.724 121.223 -0.032 0.000 2.290 403 L HA 0.405 4.745 4.340 -0.000 0.000 0.284 403 L C -0.626 176.195 176.870 -0.082 0.000 1.078 403 L CA -0.511 54.281 54.840 -0.081 0.000 0.815 403 L CB 0.466 42.379 42.059 -0.244 0.000 1.162 403 L HN 0.616 nan 8.230 nan 0.000 0.435 404 R N 2.944 123.433 120.500 -0.019 0.000 2.670 404 R HA 0.747 5.087 4.340 -0.000 0.000 0.289 404 R C -1.099 175.193 176.300 -0.012 0.000 0.965 404 R CA -0.691 55.373 56.100 -0.060 0.000 0.899 404 R CB 1.921 32.190 30.300 -0.052 0.000 1.173 404 R HN 0.400 nan 8.270 nan 0.000 0.456 405 S N 0.292 115.964 115.700 -0.047 0.000 2.537 405 S HA 0.391 4.861 4.470 -0.000 0.000 0.271 405 S C -1.764 172.813 174.600 -0.037 0.000 1.148 405 S CA -0.826 57.389 58.200 0.025 0.000 0.868 405 S CB 0.731 63.953 63.200 0.036 0.000 1.115 405 S HN 0.743 nan 8.310 nan 0.000 0.461 406 H N 1.944 121.052 119.070 0.063 0.000 2.488 406 H HA 0.612 5.168 4.556 -0.000 0.000 0.322 406 H C -0.568 174.821 175.328 0.102 0.000 1.078 406 H CA -0.144 55.960 56.048 0.092 0.000 1.260 406 H CB 0.849 30.656 29.762 0.076 0.000 1.425 406 H HN 0.390 nan 8.280 nan 0.000 0.471 407 I N 2.956 123.665 120.570 0.232 0.000 2.406 407 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 407 I C -0.267 175.947 176.117 0.162 0.000 0.999 407 I CA -1.000 60.412 61.300 0.186 0.000 1.124 407 I CB 1.309 39.435 38.000 0.210 0.000 1.289 407 I HN 0.546 nan 8.210 nan 0.000 0.441 408 N N 6.806 125.563 118.700 0.095 0.000 2.492 408 N HA 0.150 4.889 4.740 -0.000 0.000 0.260 408 N C -2.467 173.045 175.510 0.005 0.000 1.215 408 N CA -1.406 51.675 53.050 0.051 0.000 0.923 408 N CB 0.054 38.556 38.487 0.025 0.000 1.092 408 N HN 0.240 nan 8.380 nan 0.000 0.448 409 P HA -0.064 nan 4.420 nan 0.000 0.258 409 P C 0.581 177.791 177.300 -0.149 0.000 1.172 409 P CA 0.910 63.977 63.100 -0.055 0.000 0.762 409 P CB 0.051 31.725 31.700 -0.044 0.000 0.764 410 T N -0.831 113.625 114.554 -0.164 0.000 6.974 410 T HA -0.181 4.169 4.350 -0.000 0.000 0.287 410 T C 0.665 175.112 174.700 -0.421 0.000 2.146 410 T CA 0.932 62.776 62.100 -0.427 0.000 3.451 410 T CB -2.320 65.950 68.868 -0.997 0.000 1.630 410 T HN 0.650 nan 8.240 nan 0.000 1.173 411 G N -0.437 108.233 108.800 -0.217 0.000 2.522 411 G HA2 0.609 4.569 3.960 -0.000 0.000 0.304 411 G HA3 0.609 4.569 3.960 -0.000 0.000 0.304 411 G C -0.668 174.181 174.900 -0.085 0.000 1.210 411 G CA -0.039 44.951 45.100 -0.183 0.000 0.960 411 G HN 0.611 nan 8.290 nan 0.000 0.497 412 T N -0.493 114.004 114.554 -0.095 0.000 2.916 412 T HA 0.437 4.787 4.350 -0.000 0.000 0.298 412 T C -0.613 174.065 174.700 -0.037 0.000 1.031 412 T CA -0.280 61.790 62.100 -0.049 0.000 0.993 412 T CB 1.928 70.752 68.868 -0.073 0.000 1.045 412 T HN 0.316 nan 8.240 nan 0.000 0.454 413 V N 3.915 123.827 119.914 -0.002 0.000 2.407 413 V HA 0.524 4.644 4.120 -0.000 0.000 0.278 413 V C -0.459 175.635 176.094 0.001 0.000 1.037 413 V CA -0.671 61.633 62.300 0.008 0.000 0.900 413 V CB 1.263 33.103 31.823 0.029 0.000 0.983 413 V HN 0.660 nan 8.190 nan 0.000 0.459 414 L N 7.355 128.578 121.223 -0.000 0.000 2.333 414 L HA 0.711 5.051 4.340 -0.000 0.000 0.280 414 L C -0.837 176.041 176.870 0.014 0.000 1.004 414 L CA 0.143 54.985 54.840 0.004 0.000 0.820 414 L CB 1.341 43.397 42.059 -0.004 0.000 1.247 414 L HN 0.536 nan 8.230 nan 0.000 0.416 415 L N 3.987 125.221 121.223 0.017 0.000 2.354 415 L HA 0.628 4.968 4.340 -0.000 0.000 0.269 415 L C -0.636 176.258 176.870 0.039 0.000 1.005 415 L CA -0.658 54.191 54.840 0.014 0.000 0.819 415 L CB 1.951 43.997 42.059 -0.021 0.000 1.311 415 L HN 0.585 nan 8.230 nan 0.000 0.423 416 Q N 1.774 121.604 119.800 0.050 0.000 2.322 416 Q HA 0.623 4.963 4.340 -0.000 0.000 0.265 416 Q C -1.702 174.355 176.000 0.095 0.000 0.985 416 Q CA -0.727 55.124 55.803 0.081 0.000 0.849 416 Q CB 1.624 30.410 28.738 0.079 0.000 1.274 416 Q HN 0.428 nan 8.270 nan 0.000 0.449 417 L N 3.642 124.944 121.223 0.132 0.000 2.296 417 L HA 0.439 4.779 4.340 -0.000 0.000 0.286 417 L C -0.527 176.462 176.870 0.198 0.000 1.023 417 L CA -0.205 54.722 54.840 0.145 0.000 0.812 417 L CB 1.697 43.834 42.059 0.131 0.000 1.223 417 L HN 0.583 nan 8.230 nan 0.000 0.421 418 E N 2.690 123.014 120.200 0.206 0.000 2.165 418 E HA 0.219 4.569 4.350 -0.000 0.000 0.266 418 E C -0.699 176.038 176.600 0.228 0.000 0.889 418 E CA -0.539 55.983 56.400 0.203 0.000 0.756 418 E CB 1.985 31.790 29.700 0.174 0.000 1.131 418 E HN 0.445 nan 8.360 nan 0.000 0.411 419 N N 1.607 120.436 118.700 0.214 0.000 2.492 419 N HA -0.035 4.705 4.740 -0.000 0.000 0.262 419 N C 0.982 176.610 175.510 0.196 0.000 1.202 419 N CA 0.465 53.637 53.050 0.202 0.000 0.926 419 N CB 0.957 39.551 38.487 0.179 0.000 1.078 419 N HN 0.406 nan 8.380 nan 0.000 0.454 420 T N 0.965 115.648 114.554 0.216 0.000 3.055 420 T HA 0.056 4.406 4.350 -0.000 0.000 0.265 420 T C 0.800 175.580 174.700 0.133 0.000 1.111 420 T CA 0.147 62.380 62.100 0.222 0.000 1.118 420 T CB 0.066 69.084 68.868 0.251 0.000 0.909 420 T HN 0.600 nan 8.240 nan 0.000 0.501 421 M N 0.000 119.660 119.600 0.100 0.000 2.572 421 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 421 M CA 0.000 55.338 55.300 0.063 0.000 0.988 421 M CB 0.000 32.635 32.600 0.058 0.000 1.302 421 M HN 0.000 nan 8.290 nan 0.000 0.411