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 3egx_1_B DATA FIRST_RESID 346 DATA SEQUENCE EGLRVVNLLQ ERNMLPSTPL KPPVPNLHED IQKLNCNPEL FRCTLTSIPQ DATA SEQUENCE TQALLNKAKL PLGLLLHPFK DLVQLPVVTS STIVRCRSCR TYINPFVSFL DATA SEQUENCE DQRRWKCNLC YRVNDVPEEX XXXXXXXXXX EPHRRPEVQN ATIEFMAPSE DATA SEQUENCE YMLRPPQPPV YLFVFDVSHN AVETGYLNSV CQSLLDNLDL LPGNTRTKIG DATA SEQUENCE FITFDSTIHF YGLQESLSQP QMLIVSDIED VFIPMPENLL VNLNESKELV DATA SEQUENCE QDLLKTLPQM FTKTLETQSA LGPALQAAFK LMSPTGGRMS VFQTQLPTLG DATA SEQUENCE VGALKPREEP NHRSSAKXXX MTPSTDFYKK LALDCSGQQV AVDLFLLSGQ DATA SEQUENCE YSDLASLGCI SRYSAGSVYY YPSYHHQHNP VQVQKLQKEL QRYLTRKIGF DATA SEQUENCE EAVMRIRCTK GLSIHTFHGN FFVRSTDLLS LPNVNPDAGY AVQMSVEESL DATA SEQUENCE TDTQLVSFQS ALLYTSSKGE RRIRVHTLCL PVVSTLNDVF LGADVQAISG DATA SEQUENCE LLANMAVDRS MTASLSDARD ALVNAVIDSL SAYRSSVXXX XXPGLMVPFS DATA SEQUENCE LRLFPLFVLA LLKQKSFQTG TNARLDERIF AMCQVKNQPL VYLMLTTHPS DATA SEQUENCE LYRVDNLSDE GALNISDRTI PQPPILQLSV EKLSRDGAFL MDAGSVLMLW DATA SEQUENCE VGKNCTQNFL SQVLGVQNYA SIPQPMTDLP ELDTPESARI IAFISWLREQ DATA SEQUENCE RPFFPILYVI ADESPMKANF LQNMIEDRTE SALSYYEFLL HIQQQVNK 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 346 E HA 0.000 nan 4.350 nan 0.000 0.291 346 E C 0.000 176.321 176.600 -0.464 0.000 1.382 346 E CA 0.000 56.270 56.400 -0.217 0.000 0.976 346 E CB 0.000 29.630 29.700 -0.117 0.000 0.812 347 G N 0.461 109.042 108.800 -0.364 0.000 2.801 347 G HA2 0.214 4.175 3.960 0.002 0.000 0.648 347 G HA3 0.214 4.175 3.960 0.002 0.000 0.648 347 G C -1.430 173.304 174.900 -0.277 0.000 1.415 347 G CA -0.452 44.412 45.100 -0.393 0.000 0.887 347 G HN 0.408 nan 8.290 nan 0.000 0.627 348 L N 2.842 123.989 121.223 -0.127 0.000 3.084 348 L HA 0.567 4.908 4.340 0.002 0.000 0.238 348 L C 1.073 177.945 176.870 0.004 0.000 1.327 348 L CA -0.825 54.000 54.840 -0.025 0.000 1.094 348 L CB -0.434 41.625 42.059 -0.000 0.000 1.477 348 L HN 0.667 nan 8.230 nan 0.000 0.514 349 R N -0.452 120.042 120.500 -0.010 0.000 2.486 349 R HA 0.677 5.018 4.340 0.002 0.000 0.286 349 R C -1.011 175.362 176.300 0.123 0.000 0.999 349 R CA -0.813 55.315 56.100 0.046 0.000 0.993 349 R CB 1.138 31.449 30.300 0.018 0.000 1.084 349 R HN 0.073 nan 8.270 nan 0.000 0.487 350 V N 2.154 122.134 119.914 0.109 0.000 2.743 350 V HA 0.368 4.488 4.120 0.002 0.000 0.301 350 V C -0.053 176.105 176.094 0.106 0.000 1.057 350 V CA -0.621 61.755 62.300 0.127 0.000 1.006 350 V CB 1.680 33.576 31.823 0.121 0.000 1.024 350 V HN 0.593 nan 8.190 nan 0.000 0.473 351 V N 2.123 122.089 119.914 0.086 0.000 2.841 351 V HA 0.420 4.541 4.120 0.002 0.000 0.310 351 V C -0.577 175.543 176.094 0.043 0.000 1.090 351 V CA -0.879 61.461 62.300 0.067 0.000 0.930 351 V CB 2.163 34.021 31.823 0.058 0.000 1.014 351 V HN 0.887 nan 8.190 nan 0.000 0.425 352 N N 3.139 121.863 118.700 0.040 0.000 2.485 352 N HA 0.388 5.129 4.740 0.002 0.000 0.243 352 N C 0.686 176.214 175.510 0.029 0.000 0.987 352 N CA -0.347 52.719 53.050 0.026 0.000 0.940 352 N CB 1.013 39.516 38.487 0.026 0.000 1.122 352 N HN 0.667 nan 8.380 nan 0.000 0.509 353 L N 2.831 124.062 121.223 0.013 0.000 2.265 353 L HA -0.098 4.243 4.340 0.002 0.000 0.215 353 L C 1.652 178.546 176.870 0.040 0.000 1.117 353 L CA 0.811 55.667 54.840 0.027 0.000 0.782 353 L CB -0.153 41.898 42.059 -0.013 0.000 0.914 353 L HN 0.601 nan 8.230 nan 0.000 0.441 354 L N -1.061 120.175 121.223 0.021 0.000 2.240 354 L HA -0.117 4.224 4.340 0.002 0.000 0.211 354 L C 2.449 179.401 176.870 0.136 0.000 1.106 354 L CA 0.674 55.560 54.840 0.077 0.000 0.793 354 L CB -0.256 41.818 42.059 0.025 0.000 0.927 354 L HN 0.354 nan 8.230 nan 0.000 0.446 355 Q N -0.704 119.147 119.800 0.086 0.000 2.373 355 Q HA -0.006 4.335 4.340 0.002 0.000 0.210 355 Q C 1.860 177.902 176.000 0.070 0.000 0.913 355 Q CA 0.466 56.313 55.803 0.073 0.000 0.911 355 Q CB 0.397 29.166 28.738 0.050 0.000 1.040 355 Q HN 0.455 nan 8.270 nan 0.000 0.521 356 E N 1.241 121.487 120.200 0.076 0.000 1.998 356 E HA -0.102 4.249 4.350 0.002 0.000 0.195 356 E C 0.705 177.358 176.600 0.089 0.000 0.994 356 E CA 0.424 56.868 56.400 0.072 0.000 0.835 356 E CB -0.198 29.543 29.700 0.067 0.000 0.786 356 E HN 0.170 nan 8.360 nan 0.000 0.467 357 R N -0.113 120.472 120.500 0.142 0.000 3.951 357 R HA -0.149 4.192 4.340 0.002 0.000 0.352 357 R C -0.187 176.172 176.300 0.098 0.000 1.178 357 R CA 0.840 57.057 56.100 0.195 0.000 0.949 357 R CB -1.047 29.353 30.300 0.166 0.000 1.452 357 R HN 0.168 nan 8.270 nan 0.000 0.540 358 N N -0.592 118.140 118.700 0.053 0.000 2.286 358 N HA 0.027 4.768 4.740 0.002 0.000 0.245 358 N C 0.533 176.040 175.510 -0.005 0.000 1.363 358 N CA 0.473 53.531 53.050 0.013 0.000 0.822 358 N CB 0.446 38.945 38.487 0.020 0.000 1.345 358 N HN 0.092 nan 8.380 nan 0.000 0.494 359 M N -0.599 118.990 119.600 -0.019 0.000 2.149 359 M HA -0.033 4.448 4.480 0.002 0.000 0.261 359 M C 0.920 177.168 176.300 -0.087 0.000 1.064 359 M CA 1.181 56.447 55.300 -0.055 0.000 1.102 359 M CB -0.921 31.628 32.600 -0.086 0.000 1.369 359 M HN 0.048 nan 8.290 nan 0.000 0.408 360 L N 4.430 125.593 121.223 -0.101 0.000 2.615 360 L HA 0.193 4.534 4.340 0.002 0.000 0.271 360 L C -1.992 174.860 176.870 -0.030 0.000 1.183 360 L CA -1.294 53.494 54.840 -0.088 0.000 0.933 360 L CB -0.241 41.772 42.059 -0.076 0.000 1.199 360 L HN 0.135 nan 8.230 nan 0.000 0.487 361 P HA 0.086 nan 4.420 nan 0.000 0.272 361 P C 0.100 177.426 177.300 0.044 0.000 1.223 361 P CA -0.222 62.894 63.100 0.027 0.000 0.784 361 P CB 0.820 32.544 31.700 0.040 0.000 0.923 362 S N -0.202 115.532 115.700 0.058 0.000 2.522 362 S HA -0.002 4.469 4.470 0.002 0.000 0.227 362 S C 1.002 175.669 174.600 0.112 0.000 0.986 362 S CA 0.365 58.610 58.200 0.075 0.000 0.929 362 S CB -0.978 62.264 63.200 0.069 0.000 0.769 362 S HN 0.729 nan 8.310 nan 0.000 0.529 363 T N -0.448 114.172 114.554 0.109 0.000 2.940 363 T HA 0.659 5.010 4.350 0.002 0.000 0.288 363 T C -3.214 171.570 174.700 0.139 0.000 1.033 363 T CA -2.406 59.778 62.100 0.139 0.000 1.033 363 T CB 1.008 69.947 68.868 0.119 0.000 1.079 363 T HN -0.120 nan 8.240 nan 0.000 0.496 364 P HA 0.174 nan 4.420 nan 0.000 0.269 364 P C -0.528 176.836 177.300 0.106 0.000 1.211 364 P CA -0.382 62.806 63.100 0.147 0.000 0.781 364 P CB 0.323 32.126 31.700 0.171 0.000 0.877 365 L N 1.993 123.266 121.223 0.083 0.000 2.326 365 L HA 0.278 4.619 4.340 0.002 0.000 0.278 365 L C 0.855 177.764 176.870 0.065 0.000 1.092 365 L CA -0.242 54.642 54.840 0.072 0.000 0.810 365 L CB 0.498 42.600 42.059 0.071 0.000 1.153 365 L HN 0.266 nan 8.230 nan 0.000 0.439 366 K N 4.123 124.564 120.400 0.068 0.000 2.159 366 K HA 0.406 4.727 4.320 0.002 0.000 0.266 366 K C -2.193 174.438 176.600 0.052 0.000 0.975 366 K CA -1.669 54.655 56.287 0.060 0.000 0.865 366 K CB 1.305 33.845 32.500 0.067 0.000 1.087 366 K HN 0.380 nan 8.250 nan 0.000 0.446 367 P HA 0.096 nan 4.420 nan 0.000 0.264 367 P C -2.541 174.781 177.300 0.038 0.000 1.193 367 P CA -0.870 62.249 63.100 0.033 0.000 0.763 367 P CB -0.180 31.535 31.700 0.024 0.000 0.810 368 P HA -0.019 nan 4.420 nan 0.000 0.270 368 P C -0.618 176.701 177.300 0.031 0.000 1.216 368 P CA 0.124 63.247 63.100 0.039 0.000 0.788 368 P CB 0.237 31.955 31.700 0.030 0.000 0.883 369 V N 2.639 122.572 119.914 0.031 0.000 2.350 369 V HA 0.267 4.388 4.120 0.002 0.000 0.285 369 V C -2.132 173.973 176.094 0.019 0.000 1.014 369 V CA -1.851 60.465 62.300 0.025 0.000 0.831 369 V CB 0.849 32.688 31.823 0.027 0.000 1.000 369 V HN 0.542 nan 8.190 nan 0.000 0.433 370 P HA -0.036 nan 4.420 nan 0.000 0.261 370 P C 0.008 177.314 177.300 0.011 0.000 1.173 370 P CA 0.176 63.278 63.100 0.003 0.000 0.760 370 P CB 0.237 31.928 31.700 -0.016 0.000 0.783 371 N N 3.835 122.543 118.700 0.014 0.000 2.498 371 N HA 0.097 4.838 4.740 0.002 0.000 0.277 371 N C -1.107 174.419 175.510 0.026 0.000 1.208 371 N CA 0.521 53.584 53.050 0.021 0.000 1.029 371 N CB -0.790 37.711 38.487 0.023 0.000 1.403 371 N HN 0.290 nan 8.380 nan 0.000 0.500 372 L N 1.542 122.784 121.223 0.032 0.000 2.409 372 L HA 0.298 4.639 4.340 0.002 0.000 0.262 372 L C -0.087 176.832 176.870 0.082 0.000 0.992 372 L CA -1.417 53.458 54.840 0.058 0.000 0.817 372 L CB 1.456 43.541 42.059 0.043 0.000 1.350 372 L HN 0.420 nan 8.230 nan 0.000 0.411 373 H N 1.565 120.653 119.070 0.029 0.000 3.209 373 H HA -0.153 4.404 4.556 0.002 0.000 0.297 373 H C 1.104 176.458 175.328 0.044 0.000 0.936 373 H CA 1.259 57.328 56.048 0.035 0.000 1.392 373 H CB 0.585 30.371 29.762 0.040 0.000 1.349 373 H HN 0.672 nan 8.280 nan 0.000 0.568 374 E N 2.635 122.572 120.200 -0.438 0.000 2.197 374 E HA -0.339 4.012 4.350 0.002 0.000 0.205 374 E C 0.774 177.284 176.600 -0.150 0.000 1.029 374 E CA 2.064 58.299 56.400 -0.275 0.000 0.828 374 E CB 0.149 29.667 29.700 -0.303 0.000 0.737 374 E HN 0.790 nan 8.360 nan 0.000 0.464 375 D N -0.449 119.868 120.400 -0.138 0.000 2.289 375 D HA -0.066 4.575 4.640 0.002 0.000 0.207 375 D C 1.766 178.165 176.300 0.166 0.000 0.966 375 D CA 0.383 54.436 54.000 0.088 0.000 0.868 375 D CB 0.147 41.071 40.800 0.207 0.000 0.943 375 D HN 0.264 nan 8.370 nan 0.000 0.514 376 I N 0.742 121.446 120.570 0.223 0.000 2.429 376 I HA -0.123 4.048 4.170 0.002 0.000 0.247 376 I C 2.345 178.622 176.117 0.268 0.000 1.099 376 I CA 0.704 62.182 61.300 0.297 0.000 1.422 376 I CB -1.019 37.157 38.000 0.293 0.000 1.112 376 I HN -0.043 nan 8.210 nan 0.000 0.430 377 Q N 2.665 122.554 119.800 0.148 0.000 2.181 377 Q HA -0.228 4.113 4.340 0.002 0.000 0.205 377 Q C 1.970 178.039 176.000 0.115 0.000 0.980 377 Q CA 2.069 57.933 55.803 0.101 0.000 0.862 377 Q CB -0.454 28.314 28.738 0.050 0.000 0.905 377 Q HN 0.632 nan 8.270 nan 0.000 0.429 378 K N -0.737 119.724 120.400 0.102 0.000 2.362 378 K HA -0.061 4.259 4.320 0.002 0.000 0.200 378 K C 1.187 177.852 176.600 0.108 0.000 1.046 378 K CA 1.360 57.697 56.287 0.084 0.000 0.952 378 K CB -0.077 32.456 32.500 0.055 0.000 0.753 378 K HN 0.312 nan 8.250 nan 0.000 0.466 379 L N 0.349 121.673 121.223 0.167 0.000 2.766 379 L HA 0.204 4.545 4.340 0.002 0.000 0.242 379 L C 0.236 177.299 176.870 0.321 0.000 1.136 379 L CA -0.714 54.217 54.840 0.152 0.000 0.933 379 L CB -0.195 41.878 42.059 0.024 0.000 1.241 379 L HN 0.119 nan 8.230 nan 0.000 0.522 380 N N 0.883 119.798 118.700 0.360 0.000 2.395 380 N HA -0.048 4.693 4.740 0.002 0.000 0.246 380 N C 0.146 175.797 175.510 0.235 0.000 1.246 380 N CA 0.047 53.294 53.050 0.329 0.000 0.879 380 N CB 0.812 39.364 38.487 0.109 0.000 1.098 380 N HN 0.154 nan 8.380 nan 0.000 0.444 381 C N 2.941 122.376 119.300 0.224 0.000 2.796 381 C HA -0.002 4.459 4.460 0.002 0.000 0.394 381 C C 1.061 176.139 174.990 0.147 0.000 1.276 381 C CA -0.554 58.588 59.018 0.206 0.000 2.038 381 C CB -0.712 27.162 27.740 0.224 0.000 2.709 381 C HN 0.792 nan 8.230 nan 0.000 0.709 382 N N 3.634 122.421 118.700 0.146 0.000 2.470 382 N HA 0.213 4.954 4.740 0.002 0.000 0.268 382 N C -1.236 174.327 175.510 0.089 0.000 1.136 382 N CA -1.216 51.892 53.050 0.097 0.000 0.961 382 N CB 1.205 39.738 38.487 0.077 0.000 1.067 382 N HN 0.575 nan 8.380 nan 0.000 0.468 383 P HA -0.158 nan 4.420 nan 0.000 0.220 383 P C 0.188 177.518 177.300 0.049 0.000 1.148 383 P CA 1.334 64.471 63.100 0.061 0.000 0.803 383 P CB 0.203 31.928 31.700 0.041 0.000 0.782 384 E N -0.627 119.590 120.200 0.029 0.000 2.409 384 E HA -0.046 4.305 4.350 0.002 0.000 0.198 384 E C 1.811 178.417 176.600 0.011 0.000 1.024 384 E CA 0.601 57.009 56.400 0.012 0.000 0.861 384 E CB -0.230 29.469 29.700 -0.002 0.000 0.788 384 E HN 0.367 nan 8.360 nan 0.000 0.521 385 L N -1.408 119.812 121.223 -0.004 0.000 2.547 385 L HA 0.243 4.584 4.340 0.002 0.000 0.218 385 L C 0.229 177.060 176.870 -0.064 0.000 1.048 385 L CA -0.071 54.704 54.840 -0.108 0.000 0.859 385 L CB 0.554 42.473 42.059 -0.233 0.000 1.128 385 L HN -0.041 nan 8.230 nan 0.000 0.483 386 F N 1.588 121.483 119.950 -0.090 0.000 2.557 386 F HA 0.601 5.129 4.527 0.001 0.000 0.316 386 F C -0.313 175.466 175.800 -0.035 0.000 1.141 386 F CA -1.211 56.755 58.000 -0.057 0.000 0.922 386 F CB 1.468 40.456 39.000 -0.021 0.000 1.194 386 F HN -0.044 nan 8.300 nan 0.000 0.443 387 R N 3.976 124.698 120.500 0.370 0.000 2.680 387 R HA 0.757 5.098 4.340 0.002 0.000 0.269 387 R C -2.135 174.195 176.300 0.049 0.000 1.026 387 R CA -0.687 55.489 56.100 0.127 0.000 0.889 387 R CB 1.355 31.696 30.300 0.068 0.000 1.241 387 R HN 0.714 nan 8.270 nan 0.000 0.463 388 C N 2.022 121.299 119.300 -0.039 0.000 2.529 388 C HA 0.550 5.011 4.460 0.002 0.000 0.329 388 C C 1.772 176.723 174.990 -0.064 0.000 1.194 388 C CA 0.229 59.189 59.018 -0.097 0.000 1.779 388 C CB 1.801 29.441 27.740 -0.167 0.000 2.322 388 C HN 1.013 nan 8.230 nan 0.000 0.500 389 T N 1.658 116.169 114.554 -0.072 0.000 2.904 389 T HA 0.092 4.443 4.350 0.002 0.000 0.267 389 T C 0.445 175.101 174.700 -0.073 0.000 1.059 389 T CA 0.925 62.986 62.100 -0.066 0.000 1.137 389 T CB -0.213 68.615 68.868 -0.067 0.000 0.879 389 T HN 0.590 nan 8.240 nan 0.000 0.467 390 L N 2.987 124.169 121.223 -0.069 0.000 2.384 390 L HA 0.364 4.705 4.340 0.002 0.000 0.261 390 L C 1.688 178.538 176.870 -0.033 0.000 1.024 390 L CA -0.472 54.332 54.840 -0.060 0.000 0.899 390 L CB 1.340 43.359 42.059 -0.067 0.000 1.243 390 L HN 0.253 nan 8.230 nan 0.000 0.449 391 T N -2.491 112.047 114.554 -0.025 0.000 2.929 391 T HA -0.065 4.286 4.350 0.002 0.000 0.271 391 T C 0.867 175.568 174.700 0.000 0.000 1.085 391 T CA 0.689 62.783 62.100 -0.010 0.000 1.125 391 T CB -0.004 68.861 68.868 -0.005 0.000 0.874 391 T HN 0.337 nan 8.240 nan 0.000 0.494 392 S N 1.419 117.115 115.700 -0.006 0.000 2.532 392 S HA 0.553 5.024 4.470 0.002 0.000 0.318 392 S C -0.463 174.133 174.600 -0.006 0.000 1.083 392 S CA -0.790 57.409 58.200 -0.002 0.000 1.131 392 S CB 0.321 63.521 63.200 -0.000 0.000 0.973 392 S HN 0.296 nan 8.310 nan 0.000 0.468 393 I N 5.081 125.659 120.570 0.014 0.000 2.533 393 I HA 0.219 4.390 4.170 0.002 0.000 0.284 393 I C -2.227 173.893 176.117 0.005 0.000 1.109 393 I CA -2.001 59.313 61.300 0.023 0.000 1.412 393 I CB -0.049 37.991 38.000 0.067 0.000 1.396 393 I HN 0.287 nan 8.210 nan 0.000 0.543 394 P HA -0.031 nan 4.420 nan 0.000 0.262 394 P C 0.427 177.725 177.300 -0.003 0.000 1.199 394 P CA 0.024 63.113 63.100 -0.019 0.000 0.763 394 P CB 0.480 32.160 31.700 -0.033 0.000 0.790 395 Q N 2.867 122.665 119.800 -0.004 0.000 2.135 395 Q HA -0.114 4.227 4.340 0.002 0.000 0.204 395 Q C 0.289 176.289 176.000 0.001 0.000 0.981 395 Q CA 1.396 57.200 55.803 0.000 0.000 0.856 395 Q CB 0.120 28.856 28.738 -0.002 0.000 0.902 395 Q HN 0.575 nan 8.270 nan 0.000 0.425 396 T N -3.712 110.840 114.554 -0.004 0.000 2.916 396 T HA 0.242 4.593 4.350 0.002 0.000 0.292 396 T C 0.266 174.961 174.700 -0.008 0.000 1.055 396 T CA -0.735 61.362 62.100 -0.004 0.000 1.009 396 T CB 1.596 70.461 68.868 -0.005 0.000 1.118 396 T HN 0.005 nan 8.240 nan 0.000 0.497 397 Q N 1.279 121.074 119.800 -0.008 0.000 2.050 397 Q HA 0.022 4.363 4.340 0.002 0.000 0.202 397 Q C 2.409 178.400 176.000 -0.015 0.000 0.980 397 Q CA 2.513 58.308 55.803 -0.013 0.000 0.840 397 Q CB -1.113 27.616 28.738 -0.017 0.000 0.898 397 Q HN 0.927 nan 8.270 nan 0.000 0.424 398 A N 0.324 123.137 122.820 -0.012 0.000 1.903 398 A HA -0.222 4.099 4.320 0.002 0.000 0.219 398 A C 2.051 179.627 177.584 -0.013 0.000 1.191 398 A CA 1.822 53.853 52.037 -0.010 0.000 0.638 398 A CB -1.083 17.913 19.000 -0.006 0.000 0.823 398 A HN 0.506 nan 8.150 nan 0.000 0.451 399 L N -0.952 120.262 121.223 -0.016 0.000 2.093 399 L HA -0.083 4.258 4.340 0.002 0.000 0.208 399 L C 2.216 179.057 176.870 -0.047 0.000 1.085 399 L CA 1.981 56.806 54.840 -0.025 0.000 0.755 399 L CB -0.531 41.514 42.059 -0.022 0.000 0.904 399 L HN 0.383 nan 8.230 nan 0.000 0.435 400 L N -0.038 121.160 121.223 -0.040 0.000 2.017 400 L HA -0.189 4.152 4.340 0.002 0.000 0.208 400 L C 2.229 179.070 176.870 -0.050 0.000 1.073 400 L CA 1.796 56.606 54.840 -0.051 0.000 0.745 400 L CB -1.037 41.005 42.059 -0.029 0.000 0.894 400 L HN 0.387 nan 8.230 nan 0.000 0.432 401 N N 0.139 118.822 118.700 -0.028 0.000 2.080 401 N HA -0.199 4.542 4.740 0.002 0.000 0.189 401 N C 1.791 177.294 175.510 -0.012 0.000 1.036 401 N CA 1.478 54.519 53.050 -0.015 0.000 0.846 401 N CB -0.368 38.115 38.487 -0.006 0.000 1.015 401 N HN 0.384 nan 8.380 nan 0.000 0.423 402 K N 0.835 121.230 120.400 -0.009 0.000 2.259 402 K HA -0.149 4.172 4.320 0.002 0.000 0.206 402 K C 1.868 178.475 176.600 0.012 0.000 1.044 402 K CA 1.398 57.691 56.287 0.011 0.000 0.931 402 K CB -0.099 32.409 32.500 0.014 0.000 0.726 402 K HN 0.204 nan 8.250 nan 0.000 0.467 403 A N 0.624 123.401 122.820 -0.072 0.000 1.970 403 A HA -0.083 4.238 4.320 0.002 0.000 0.216 403 A C 0.543 178.099 177.584 -0.047 0.000 1.170 403 A CA 0.873 52.795 52.037 -0.191 0.000 0.645 403 A CB 0.167 18.925 19.000 -0.402 0.000 0.816 403 A HN 0.189 nan 8.150 nan 0.000 0.447 404 K N -1.905 118.487 120.400 -0.013 0.000 3.230 404 K HA -0.139 4.181 4.320 0.002 0.000 0.285 404 K C -0.501 176.128 176.600 0.047 0.000 1.196 404 K CA 0.729 57.040 56.287 0.040 0.000 0.838 404 K CB -2.470 30.085 32.500 0.091 0.000 1.262 404 K HN 0.538 nan 8.250 nan 0.000 0.492 405 L N 1.499 122.709 121.223 -0.022 0.000 2.334 405 L HA 0.479 4.820 4.340 0.002 0.000 0.273 405 L C -1.722 175.135 176.870 -0.022 0.000 1.013 405 L CA -1.986 52.835 54.840 -0.032 0.000 0.816 405 L CB 1.656 43.634 42.059 -0.134 0.000 1.278 405 L HN -0.151 nan 8.230 nan 0.000 0.431 406 P HA 0.175 nan 4.420 nan 0.000 0.285 406 P C -1.137 176.158 177.300 -0.008 0.000 1.259 406 P CA -0.535 62.574 63.100 0.016 0.000 0.794 406 P CB 1.897 33.618 31.700 0.035 0.000 0.940 407 L N 3.571 124.798 121.223 0.007 0.000 2.265 407 L HA 0.777 5.118 4.340 0.002 0.000 0.289 407 L C -0.005 176.855 176.870 -0.016 0.000 1.033 407 L CA 0.193 55.025 54.840 -0.013 0.000 0.814 407 L CB 0.617 42.675 42.059 -0.001 0.000 1.203 407 L HN 0.702 nan 8.230 nan 0.000 0.423 408 G N 4.577 113.344 108.800 -0.056 0.000 2.600 408 G HA2 0.561 4.521 3.960 0.002 0.000 0.293 408 G HA3 0.561 4.521 3.960 0.002 0.000 0.293 408 G C -1.996 172.835 174.900 -0.114 0.000 1.408 408 G CA -0.815 44.237 45.100 -0.079 0.000 0.782 408 G HN 0.564 nan 8.290 nan 0.000 0.482 409 L N -0.697 120.463 121.223 -0.105 0.000 2.341 409 L HA 0.717 5.058 4.340 0.002 0.000 0.267 409 L C -1.127 175.747 176.870 0.007 0.000 1.009 409 L CA -1.011 53.792 54.840 -0.060 0.000 0.819 409 L CB 2.145 44.182 42.059 -0.036 0.000 1.323 409 L HN 0.236 nan 8.230 nan 0.000 0.425 410 L N 3.573 124.820 121.223 0.041 0.000 2.372 410 L HA 0.593 4.934 4.340 0.002 0.000 0.274 410 L C -0.556 176.324 176.870 0.016 0.000 0.988 410 L CA -0.081 54.780 54.840 0.035 0.000 0.833 410 L CB 1.710 43.782 42.059 0.021 0.000 1.236 410 L HN 0.372 nan 8.230 nan 0.000 0.410 411 L N -0.092 121.116 121.223 -0.025 0.000 2.354 411 L HA 0.754 5.094 4.340 0.002 0.000 0.264 411 L C -0.611 176.313 176.870 0.090 0.000 1.008 411 L CA -0.841 53.920 54.840 -0.132 0.000 0.819 411 L CB 2.218 43.963 42.059 -0.523 0.000 1.339 411 L HN 0.512 nan 8.230 nan 0.000 0.420 412 H N 1.727 120.741 119.070 -0.094 0.000 2.712 412 H HA 0.320 4.877 4.556 0.002 0.000 0.226 412 H C -2.350 172.950 175.328 -0.047 0.000 1.422 412 H CA -2.303 53.756 56.048 0.018 0.000 1.270 412 H CB 0.558 30.322 29.762 0.003 0.000 1.891 412 H HN 0.402 nan 8.280 nan 0.000 0.518 413 P HA -0.221 nan 4.420 nan 0.000 0.216 413 P C 1.052 178.506 177.300 0.258 0.000 1.154 413 P CA 1.069 64.163 63.100 -0.011 0.000 0.865 413 P CB 0.123 31.822 31.700 -0.001 0.000 0.789 414 F N 0.363 120.325 119.950 0.019 0.000 2.693 414 F HA 0.268 4.796 4.527 0.001 0.000 0.303 414 F C 1.196 176.952 175.800 -0.073 0.000 1.097 414 F CA -1.421 56.566 58.000 -0.020 0.000 1.330 414 F CB -0.602 38.372 39.000 -0.042 0.000 1.067 414 F HN -0.251 nan 8.300 nan 0.000 0.565 415 K N 1.418 121.682 120.400 -0.228 0.000 2.559 415 K HA -0.096 4.225 4.320 0.002 0.000 0.279 415 K C -0.481 175.944 176.600 -0.292 0.000 0.967 415 K CA 0.059 56.045 56.287 -0.502 0.000 1.000 415 K CB 0.266 32.136 32.500 -1.050 0.000 0.890 415 K HN -0.022 nan 8.250 nan 0.000 0.501 416 D N 3.493 123.769 120.400 -0.207 0.000 2.417 416 D HA 0.140 4.781 4.640 0.002 0.000 0.250 416 D C -0.110 176.120 176.300 -0.117 0.000 1.166 416 D CA 0.189 54.087 54.000 -0.169 0.000 0.881 416 D CB 0.401 41.137 40.800 -0.107 0.000 1.164 416 D HN 0.300 nan 8.370 nan 0.000 0.467 417 L N 1.599 122.761 121.223 -0.101 0.000 2.313 417 L HA 0.390 4.731 4.340 0.002 0.000 0.268 417 L C 1.405 178.252 176.870 -0.040 0.000 1.010 417 L CA -1.035 53.772 54.840 -0.056 0.000 0.814 417 L CB 1.507 43.543 42.059 -0.037 0.000 1.304 417 L HN 0.124 nan 8.230 nan 0.000 0.441 418 V N -0.478 119.424 119.914 -0.021 0.000 2.426 418 V HA -0.072 4.049 4.120 0.002 0.000 0.242 418 V C 0.488 176.576 176.094 -0.011 0.000 1.036 418 V CA 0.979 63.271 62.300 -0.012 0.000 1.044 418 V CB -0.436 31.387 31.823 -0.001 0.000 0.688 418 V HN 0.911 nan 8.190 nan 0.000 0.462 419 Q N 0.884 120.679 119.800 -0.009 0.000 2.347 419 Q HA 0.584 4.925 4.340 0.002 0.000 0.265 419 Q C -1.461 174.529 176.000 -0.017 0.000 1.024 419 Q CA -0.579 55.218 55.803 -0.010 0.000 0.731 419 Q CB 1.921 30.657 28.738 -0.004 0.000 1.245 419 Q HN 0.278 nan 8.270 nan 0.000 0.472 420 L N 3.982 125.190 121.223 -0.024 0.000 2.294 420 L HA 0.584 4.925 4.340 0.002 0.000 0.283 420 L C -2.669 174.173 176.870 -0.047 0.000 1.015 420 L CA -1.781 53.037 54.840 -0.036 0.000 0.831 420 L CB 1.112 43.150 42.059 -0.035 0.000 1.217 420 L HN 0.454 nan 8.230 nan 0.000 0.420 421 P HA 0.219 nan 4.420 nan 0.000 0.271 421 P C -1.220 176.018 177.300 -0.105 0.000 1.220 421 P CA -0.099 62.954 63.100 -0.079 0.000 0.768 421 P CB 0.861 32.503 31.700 -0.095 0.000 0.848 422 V N 4.977 124.847 119.914 -0.074 0.000 2.325 422 V HA 0.139 4.260 4.120 0.002 0.000 0.280 422 V C 0.107 176.178 176.094 -0.038 0.000 1.016 422 V CA -0.690 61.570 62.300 -0.067 0.000 0.818 422 V CB 1.798 33.603 31.823 -0.030 0.000 1.019 422 V HN 0.247 nan 8.190 nan 0.000 0.434 423 V N 4.844 124.732 119.914 -0.044 0.000 2.488 423 V HA 0.217 4.338 4.120 0.002 0.000 0.277 423 V C 1.301 177.474 176.094 0.131 0.000 1.046 423 V CA 0.515 62.860 62.300 0.074 0.000 0.986 423 V CB 1.681 33.628 31.823 0.206 0.000 0.989 423 V HN 1.014 nan 8.190 nan 0.000 0.475 424 T N 0.033 114.635 114.554 0.081 0.000 3.215 424 T HA 0.152 4.503 4.350 0.002 0.000 0.271 424 T C 0.592 175.313 174.700 0.036 0.000 1.012 424 T CA -0.306 61.825 62.100 0.051 0.000 0.899 424 T CB -0.106 68.775 68.868 0.022 0.000 1.089 424 T HN 0.446 nan 8.240 nan 0.000 0.552 425 S N 2.362 118.099 115.700 0.061 0.000 2.702 425 S HA 0.006 4.477 4.470 0.002 0.000 0.314 425 S C 1.452 176.035 174.600 -0.029 0.000 1.244 425 S CA -0.172 58.038 58.200 0.016 0.000 1.058 425 S CB 0.367 63.577 63.200 0.016 0.000 0.783 425 S HN 0.564 nan 8.310 nan 0.000 0.503 426 S N 1.986 117.668 115.700 -0.030 0.000 2.462 426 S HA -0.060 4.411 4.470 0.002 0.000 0.243 426 S C 1.010 175.569 174.600 -0.068 0.000 1.003 426 S CA 1.172 59.347 58.200 -0.043 0.000 0.970 426 S CB 0.010 63.193 63.200 -0.029 0.000 0.762 426 S HN 0.816 nan 8.310 nan 0.000 0.510 427 T N 0.135 114.641 114.554 -0.079 0.000 2.923 427 T HA 0.564 4.915 4.350 0.002 0.000 0.311 427 T C -1.694 172.913 174.700 -0.156 0.000 1.183 427 T CA -0.743 61.292 62.100 -0.108 0.000 1.020 427 T CB 0.688 69.517 68.868 -0.065 0.000 1.165 427 T HN -0.139 nan 8.240 nan 0.000 0.482 428 I N 3.834 124.271 120.570 -0.222 0.000 2.321 428 I HA 0.359 4.530 4.170 0.002 0.000 0.291 428 I C 0.178 176.163 176.117 -0.220 0.000 0.998 428 I CA -0.529 60.562 61.300 -0.348 0.000 1.227 428 I CB 1.565 39.300 38.000 -0.441 0.000 1.368 428 I HN 0.352 nan 8.210 nan 0.000 0.466 429 V N 7.957 127.753 119.914 -0.197 0.000 2.421 429 V HA 0.327 4.447 4.120 0.002 0.000 0.271 429 V C 0.416 176.475 176.094 -0.059 0.000 1.031 429 V CA -0.188 62.065 62.300 -0.077 0.000 1.032 429 V CB -0.679 31.091 31.823 -0.088 0.000 1.009 429 V HN 0.653 nan 8.190 nan 0.000 0.477 430 R N 2.999 123.529 120.500 0.050 0.000 2.584 430 R HA 0.398 4.739 4.340 0.002 0.000 0.276 430 R C -0.757 175.681 176.300 0.229 0.000 1.046 430 R CA -0.675 55.464 56.100 0.065 0.000 0.906 430 R CB 1.708 31.884 30.300 -0.206 0.000 1.215 430 R HN 0.747 nan 8.270 nan 0.000 0.449 431 C N 2.908 122.399 119.300 0.319 0.000 2.523 431 C HA 0.030 4.491 4.460 0.002 0.000 0.406 431 C C 1.465 176.429 174.990 -0.042 0.000 1.449 431 C CA 0.045 59.089 59.018 0.044 0.000 1.588 431 C CB -0.366 27.337 27.740 -0.063 0.000 2.514 431 C HN 0.864 nan 8.230 nan 0.000 0.606 432 R N 3.549 123.998 120.500 -0.086 0.000 2.357 432 R HA -0.027 4.314 4.340 0.002 0.000 0.202 432 R C 1.917 178.171 176.300 -0.077 0.000 1.047 432 R CA 0.957 57.016 56.100 -0.069 0.000 1.034 432 R CB 0.020 30.279 30.300 -0.068 0.000 0.875 432 R HN 0.801 nan 8.270 nan 0.000 0.473 433 S N -0.701 114.942 115.700 -0.095 0.000 2.748 433 S HA -0.031 4.439 4.470 0.002 0.000 0.241 433 S C 1.623 176.179 174.600 -0.072 0.000 1.064 433 S CA 0.410 58.559 58.200 -0.084 0.000 0.892 433 S CB 0.463 63.602 63.200 -0.102 0.000 0.810 433 S HN 0.641 nan 8.310 nan 0.000 0.555 434 C N 1.443 120.698 119.300 -0.076 0.000 3.183 434 C HA 0.542 5.003 4.460 0.002 0.000 0.285 434 C C 0.400 175.361 174.990 -0.048 0.000 1.313 434 C CA -0.532 58.450 59.018 -0.059 0.000 1.711 434 C CB -0.575 27.125 27.740 -0.066 0.000 2.135 434 C HN 0.436 nan 8.230 nan 0.000 0.651 435 R N 1.122 121.586 120.500 -0.059 0.000 3.525 435 R HA -0.122 4.219 4.340 0.002 0.000 0.276 435 R C -0.238 175.986 176.300 -0.126 0.000 1.116 435 R CA 1.222 57.264 56.100 -0.097 0.000 0.745 435 R CB -3.210 27.024 30.300 -0.110 0.000 1.185 435 R HN 0.718 nan 8.270 nan 0.000 0.454 436 T N 0.813 115.355 114.554 -0.019 0.000 2.897 436 T HA 0.332 4.683 4.350 0.002 0.000 0.294 436 T C 0.439 175.170 174.700 0.051 0.000 1.004 436 T CA -0.213 61.927 62.100 0.067 0.000 1.106 436 T CB 0.487 69.441 68.868 0.142 0.000 0.949 436 T HN 0.051 nan 8.240 nan 0.000 0.520 437 Y N 2.277 122.676 120.300 0.165 0.000 2.480 437 Y HA 0.220 4.771 4.550 0.002 0.000 0.341 437 Y C 1.091 177.036 175.900 0.076 0.000 1.031 437 Y CA -0.610 57.582 58.100 0.154 0.000 1.295 437 Y CB 0.031 38.655 38.460 0.274 0.000 1.162 437 Y HN 0.555 nan 8.280 nan 0.000 0.523 438 I N 6.858 127.427 120.570 -0.001 0.000 3.015 438 I HA -0.217 3.954 4.170 0.002 0.000 0.309 438 I C -0.105 175.957 176.117 -0.090 0.000 1.229 438 I CA 0.668 61.740 61.300 -0.381 0.000 1.430 438 I CB -0.230 37.366 38.000 -0.674 0.000 1.347 438 I HN 0.773 nan 8.210 nan 0.000 0.544 439 N N 6.719 125.357 118.700 -0.102 0.000 2.577 439 N HA 0.456 5.197 4.740 0.002 0.000 0.285 439 N C -2.615 172.786 175.510 -0.181 0.000 1.309 439 N CA -1.783 51.243 53.050 -0.041 0.000 0.798 439 N CB 0.916 39.464 38.487 0.102 0.000 1.463 439 N HN 0.139 nan 8.380 nan 0.000 0.518 440 P HA -0.027 nan 4.420 nan 0.000 0.220 440 P C -0.043 176.788 177.300 -0.783 0.000 1.144 440 P CA 1.282 63.991 63.100 -0.651 0.000 0.800 440 P CB -0.118 30.994 31.700 -0.979 0.000 0.772 441 F N -1.432 118.527 119.950 0.014 0.000 2.837 441 F HA 0.138 4.666 4.527 0.002 0.000 0.298 441 F C 1.048 176.845 175.800 -0.004 0.000 1.161 441 F CA -0.938 57.067 58.000 0.009 0.000 1.353 441 F CB -0.898 38.105 39.000 0.005 0.000 0.951 441 F HN -0.258 nan 8.300 nan 0.000 0.508 442 V N -2.150 117.758 119.914 -0.010 0.000 3.036 442 V HA 0.587 4.708 4.120 0.002 0.000 0.308 442 V C 0.339 176.372 176.094 -0.101 0.000 1.070 442 V CA -0.745 61.527 62.300 -0.046 0.000 1.056 442 V CB 1.469 33.133 31.823 -0.265 0.000 1.084 442 V HN 0.098 nan 8.190 nan 0.000 0.471 443 S N 2.414 118.070 115.700 -0.074 0.000 2.498 443 S HA 0.635 5.106 4.470 0.002 0.000 0.324 443 S C -0.800 173.759 174.600 -0.069 0.000 1.071 443 S CA -0.147 58.032 58.200 -0.035 0.000 1.113 443 S CB 0.292 63.513 63.200 0.034 0.000 0.976 443 S HN 0.522 nan 8.310 nan 0.000 0.462 444 F N 2.989 123.009 119.950 0.117 0.000 2.420 444 F HA 0.421 4.949 4.527 0.002 0.000 0.352 444 F C 0.523 176.372 175.800 0.081 0.000 1.108 444 F CA -0.575 57.500 58.000 0.125 0.000 1.162 444 F CB 1.010 40.072 39.000 0.103 0.000 1.118 444 F HN 0.453 nan 8.300 nan 0.000 0.510 445 L N 1.736 123.148 121.223 0.315 0.000 3.635 445 L HA 0.307 4.648 4.340 0.002 0.000 0.185 445 L C 1.354 178.319 176.870 0.158 0.000 1.293 445 L CA 0.634 55.581 54.840 0.178 0.000 1.200 445 L CB -0.381 41.747 42.059 0.115 0.000 1.655 445 L HN 0.395 nan 8.230 nan 0.000 0.762 446 D N 1.087 121.571 120.400 0.140 0.000 2.417 446 D HA -0.192 4.449 4.640 0.002 0.000 0.240 446 D C 0.719 177.087 176.300 0.113 0.000 1.062 446 D CA 0.796 54.859 54.000 0.106 0.000 0.959 446 D CB -0.121 40.732 40.800 0.088 0.000 0.877 446 D HN 0.495 nan 8.370 nan 0.000 0.528 447 Q N -0.501 119.386 119.800 0.146 0.000 2.357 447 Q HA -0.298 4.043 4.340 0.002 0.000 0.233 447 Q C 0.303 176.342 176.000 0.064 0.000 0.868 447 Q CA 1.136 56.987 55.803 0.080 0.000 1.272 447 Q CB -0.424 28.336 28.738 0.036 0.000 1.757 447 Q HN 0.397 nan 8.270 nan 0.000 0.567 448 R N -1.263 119.318 120.500 0.136 0.000 2.504 448 R HA 0.320 4.661 4.340 0.002 0.000 0.396 448 R C -0.393 176.028 176.300 0.202 0.000 0.896 448 R CA -0.195 55.983 56.100 0.130 0.000 1.152 448 R CB 1.068 31.415 30.300 0.078 0.000 1.681 448 R HN -0.019 nan 8.270 nan 0.000 0.537 449 R N 1.025 121.696 120.500 0.285 0.000 2.668 449 R HA 0.387 4.728 4.340 0.002 0.000 0.272 449 R C -1.741 174.828 176.300 0.448 0.000 1.019 449 R CA -0.741 55.527 56.100 0.280 0.000 0.894 449 R CB 2.230 32.607 30.300 0.128 0.000 1.228 449 R HN 0.041 nan 8.270 nan 0.000 0.460 450 W N 1.923 123.287 121.300 0.108 0.000 2.998 450 W HA 0.461 5.122 4.660 0.001 0.000 0.335 450 W C -1.466 174.993 176.519 -0.101 0.000 1.110 450 W CA -1.006 56.286 57.345 -0.088 0.000 1.230 450 W CB 0.845 30.092 29.460 -0.355 0.000 1.405 450 W HN 0.417 nan 8.180 nan 0.000 0.493 451 K N 3.546 123.942 120.400 -0.006 0.000 2.285 451 K HA 0.309 4.630 4.320 0.002 0.000 0.286 451 K C 0.020 176.616 176.600 -0.007 0.000 1.072 451 K CA -0.279 55.959 56.287 -0.081 0.000 0.913 451 K CB 0.715 33.220 32.500 0.009 0.000 1.067 451 K HN 0.635 nan 8.250 nan 0.000 0.479 452 C N 6.648 125.811 119.300 -0.228 0.000 2.601 452 C HA 0.060 4.521 4.460 0.002 0.000 0.405 452 C C 1.540 176.549 174.990 0.032 0.000 1.441 452 C CA -0.481 58.498 59.018 -0.064 0.000 1.555 452 C CB -1.079 26.511 27.740 -0.251 0.000 2.450 452 C HN 1.048 nan 8.230 nan 0.000 0.614 453 N N 4.098 122.873 118.700 0.124 0.000 2.573 453 N HA -0.110 4.630 4.740 0.002 0.000 0.187 453 N C 0.910 176.360 175.510 -0.099 0.000 1.107 453 N CA 0.783 53.877 53.050 0.074 0.000 0.918 453 N CB -0.105 38.456 38.487 0.122 0.000 0.966 453 N HN 0.652 nan 8.380 nan 0.000 0.448 454 L N 0.394 121.517 121.223 -0.165 0.000 2.388 454 L HA 0.151 4.492 4.340 0.002 0.000 0.209 454 L C 1.662 178.219 176.870 -0.522 0.000 1.061 454 L CA 0.710 55.381 54.840 -0.282 0.000 0.834 454 L CB 0.014 41.999 42.059 -0.123 0.000 1.029 454 L HN 0.507 nan 8.230 nan 0.000 0.473 455 C N -4.232 114.770 119.300 -0.496 0.000 3.226 455 C HA 0.392 4.853 4.460 0.002 0.000 0.258 455 C C 0.864 175.607 174.990 -0.412 0.000 1.688 455 C CA -0.886 57.826 59.018 -0.510 0.000 1.774 455 C CB -1.187 26.410 27.740 -0.239 0.000 3.167 455 C HN 0.537 nan 8.230 nan 0.000 0.509 456 Y N 0.067 120.323 120.300 -0.073 0.000 4.851 456 Y HA -0.344 4.207 4.550 0.002 0.000 0.233 456 Y C 1.169 176.992 175.900 -0.128 0.000 0.988 456 Y CA 1.571 59.620 58.100 -0.086 0.000 1.974 456 Y CB -2.038 36.383 38.460 -0.065 0.000 1.524 456 Y HN 0.771 nan 8.280 nan 0.000 0.525 457 R N 1.129 121.583 120.500 -0.077 0.000 2.861 457 R HA 0.366 4.707 4.340 0.002 0.000 0.268 457 R C -0.538 175.617 176.300 -0.242 0.000 1.027 457 R CA 0.269 56.287 56.100 -0.137 0.000 1.163 457 R CB 0.430 30.627 30.300 -0.172 0.000 1.060 457 R HN 0.003 nan 8.270 nan 0.000 0.483 458 V N 3.923 123.695 119.914 -0.237 0.000 2.357 458 V HA 0.319 4.440 4.120 0.002 0.000 0.284 458 V C -0.260 175.606 176.094 -0.381 0.000 1.018 458 V CA -0.893 61.230 62.300 -0.295 0.000 0.841 458 V CB 1.202 32.937 31.823 -0.147 0.000 0.991 458 V HN 0.785 nan 8.190 nan 0.000 0.437 459 N N 2.507 120.796 118.700 -0.685 0.000 2.472 459 N HA 0.371 5.112 4.740 0.002 0.000 0.289 459 N C -0.976 174.403 175.510 -0.218 0.000 1.156 459 N CA -0.638 52.065 53.050 -0.578 0.000 0.940 459 N CB 1.826 39.715 38.487 -0.995 0.000 1.200 459 N HN 0.621 nan 8.380 nan 0.000 0.511 460 D N 1.115 121.505 120.400 -0.017 0.000 2.313 460 D HA 0.122 4.763 4.640 0.002 0.000 0.239 460 D C -0.044 176.394 176.300 0.230 0.000 1.142 460 D CA -0.244 53.817 54.000 0.102 0.000 0.847 460 D CB 1.685 42.518 40.800 0.055 0.000 1.082 460 D HN 0.105 nan 8.370 nan 0.000 0.480 461 V N 5.812 125.914 119.914 0.313 0.000 2.434 461 V HA 0.041 4.162 4.120 0.002 0.000 0.281 461 V C -1.387 174.803 176.094 0.158 0.000 1.005 461 V CA -0.934 61.546 62.300 0.300 0.000 1.089 461 V CB -0.206 31.778 31.823 0.269 0.000 0.978 461 V HN 0.409 nan 8.190 nan 0.000 0.474 462 P HA 0.092 nan 4.420 nan 0.000 0.271 462 P C -0.145 177.182 177.300 0.045 0.000 1.218 462 P CA -0.392 62.752 63.100 0.073 0.000 0.780 462 P CB 0.830 32.567 31.700 0.062 0.000 0.901 463 E N 2.009 122.226 120.200 0.030 0.000 2.127 463 E HA 0.017 4.368 4.350 0.002 0.000 0.295 463 E C -0.416 176.187 176.600 0.005 0.000 1.155 463 E CA 0.481 56.889 56.400 0.014 0.000 1.201 463 E CB -0.588 29.118 29.700 0.011 0.000 1.083 463 E HN 0.326 nan 8.360 nan 0.000 0.472 477 P HA -0.178 nan 4.420 nan 0.000 0.221 477 P C 0.956 178.008 177.300 -0.413 0.000 1.150 477 P CA 1.249 64.124 63.100 -0.375 0.000 0.800 477 P CB -0.010 31.443 31.700 -0.412 0.000 0.787 478 H N -1.614 117.196 119.070 -0.432 0.000 2.563 478 H HA 0.205 4.762 4.556 0.002 0.000 0.272 478 H C 1.773 177.049 175.328 -0.086 0.000 1.005 478 H CA 0.389 56.296 56.048 -0.235 0.000 1.171 478 H CB -0.481 29.179 29.762 -0.170 0.000 1.351 478 H HN -0.056 nan 8.280 nan 0.000 0.602 479 R N 0.228 120.525 120.500 -0.337 0.000 2.334 479 R HA 0.238 4.578 4.340 0.002 0.000 0.212 479 R C 0.159 176.397 176.300 -0.103 0.000 0.897 479 R CA -0.274 55.712 56.100 -0.190 0.000 1.056 479 R CB 0.123 30.264 30.300 -0.265 0.000 1.046 479 R HN 0.108 nan 8.270 nan 0.000 0.513 480 R N 0.597 121.037 120.500 -0.101 0.000 2.538 480 R HA 0.041 4.382 4.340 0.002 0.000 0.282 480 R C -1.770 174.517 176.300 -0.023 0.000 1.009 480 R CA -1.149 54.918 56.100 -0.054 0.000 1.063 480 R CB 0.434 30.707 30.300 -0.044 0.000 0.945 480 R HN -0.003 nan 8.270 nan 0.000 0.414 481 P HA -0.188 nan 4.420 nan 0.000 0.217 481 P C 0.147 177.432 177.300 -0.026 0.000 1.148 481 P CA 1.309 64.395 63.100 -0.024 0.000 0.834 481 P CB 0.231 31.916 31.700 -0.025 0.000 0.783 482 E N -1.089 119.119 120.200 0.015 0.000 2.209 482 E HA -0.101 4.250 4.350 0.002 0.000 0.196 482 E C 1.214 177.811 176.600 -0.007 0.000 0.993 482 E CA 0.925 57.351 56.400 0.044 0.000 0.819 482 E CB -0.586 29.211 29.700 0.161 0.000 0.745 482 E HN 0.136 nan 8.360 nan 0.000 0.477 483 V N 0.597 120.504 119.914 -0.012 0.000 3.214 483 V HA 0.119 4.240 4.120 0.002 0.000 0.330 483 V C 0.763 176.819 176.094 -0.063 0.000 1.403 483 V CA 0.082 62.359 62.300 -0.038 0.000 1.143 483 V CB 0.296 32.161 31.823 0.070 0.000 1.098 483 V HN 0.116 nan 8.190 nan 0.000 0.463 484 Q N 0.130 119.894 119.800 -0.060 0.000 2.140 484 Q HA 0.331 4.672 4.340 0.002 0.000 0.227 484 Q C -0.160 175.806 176.000 -0.058 0.000 0.798 484 Q CA 0.183 55.956 55.803 -0.052 0.000 0.987 484 Q CB 1.132 29.857 28.738 -0.022 0.000 1.161 484 Q HN 0.522 nan 8.270 nan 0.000 0.480 485 N N -0.037 118.619 118.700 -0.073 0.000 2.410 485 N HA 0.348 5.089 4.740 0.002 0.000 0.287 485 N C -0.001 175.478 175.510 -0.052 0.000 1.044 485 N CA 0.073 53.088 53.050 -0.057 0.000 0.881 485 N CB 2.124 40.567 38.487 -0.073 0.000 1.405 485 N HN -0.044 nan 8.380 nan 0.000 0.490 486 A N 1.512 124.341 122.820 0.015 0.000 1.929 486 A HA 0.005 4.326 4.320 0.002 0.000 0.216 486 A C 0.873 178.509 177.584 0.087 0.000 1.176 486 A CA 1.197 53.299 52.037 0.109 0.000 0.628 486 A CB 0.007 19.151 19.000 0.239 0.000 0.816 486 A HN 0.501 nan 8.150 nan 0.000 0.444 487 T N 0.374 114.954 114.554 0.044 0.000 2.756 487 T HA 0.610 4.961 4.350 0.002 0.000 0.290 487 T C -0.589 174.020 174.700 -0.151 0.000 0.985 487 T CA 0.005 62.079 62.100 -0.043 0.000 0.955 487 T CB 0.730 69.657 68.868 0.098 0.000 0.930 487 T HN 0.325 nan 8.240 nan 0.000 0.451 488 I N 1.973 122.372 120.570 -0.285 0.000 3.279 488 I HA 0.605 4.775 4.170 0.002 0.000 0.315 488 I C -1.415 174.448 176.117 -0.423 0.000 1.187 488 I CA -1.022 60.065 61.300 -0.356 0.000 0.953 488 I CB 2.623 40.335 38.000 -0.479 0.000 1.279 488 I HN 0.478 nan 8.210 nan 0.000 0.465 489 E N 2.364 122.301 120.200 -0.437 0.000 2.317 489 E HA 0.359 4.710 4.350 0.002 0.000 0.270 489 E C -1.864 174.559 176.600 -0.294 0.000 0.899 489 E CA -0.520 55.695 56.400 -0.309 0.000 0.814 489 E CB 1.206 30.841 29.700 -0.109 0.000 1.296 489 E HN 0.300 nan 8.360 nan 0.000 0.404 490 F N 2.399 122.293 119.950 -0.092 0.000 2.377 490 F HA 0.389 4.917 4.527 0.002 0.000 0.328 490 F C 0.742 176.495 175.800 -0.079 0.000 1.094 490 F CA -0.685 57.272 58.000 -0.072 0.000 1.093 490 F CB 0.873 39.840 39.000 -0.054 0.000 1.214 490 F HN 0.299 nan 8.300 nan 0.000 0.518 491 M N 2.431 122.126 119.600 0.158 0.000 2.105 491 M HA 0.326 4.807 4.480 0.002 0.000 0.350 491 M C -0.006 176.272 176.300 -0.036 0.000 1.308 491 M CA -0.585 54.730 55.300 0.026 0.000 1.108 491 M CB 0.523 33.128 32.600 0.009 0.000 1.622 491 M HN 0.655 nan 8.290 nan 0.000 0.468 492 A N 7.842 130.629 122.820 -0.056 0.000 2.462 492 A HA 0.587 4.908 4.320 0.002 0.000 0.243 492 A C -2.083 175.388 177.584 -0.189 0.000 1.076 492 A CA -0.759 51.202 52.037 -0.127 0.000 0.773 492 A CB -0.524 18.503 19.000 0.046 0.000 1.010 492 A HN 0.549 nan 8.150 nan 0.000 0.493 493 P HA 0.208 nan 4.420 nan 0.000 0.283 493 P C 0.758 178.010 177.300 -0.080 0.000 1.271 493 P CA -0.400 62.551 63.100 -0.248 0.000 0.841 493 P CB 1.562 33.034 31.700 -0.380 0.000 1.122 494 S N 0.220 115.903 115.700 -0.028 0.000 2.441 494 S HA -0.204 4.267 4.470 0.002 0.000 0.242 494 S C 1.327 175.977 174.600 0.084 0.000 1.018 494 S CA 1.766 59.981 58.200 0.026 0.000 0.988 494 S CB -0.635 62.573 63.200 0.013 0.000 0.778 494 S HN 0.417 nan 8.310 nan 0.000 0.498 495 E N -0.035 120.250 120.200 0.142 0.000 2.216 495 E HA 0.058 4.409 4.350 0.002 0.000 0.192 495 E C 0.810 177.594 176.600 0.308 0.000 0.988 495 E CA 0.736 57.267 56.400 0.218 0.000 0.834 495 E CB -0.318 29.539 29.700 0.262 0.000 0.772 495 E HN 0.770 nan 8.360 nan 0.000 0.479 496 Y N 0.844 121.149 120.300 0.009 0.000 2.473 496 Y HA 0.114 4.665 4.550 0.002 0.000 0.329 496 Y C 0.623 176.532 175.900 0.016 0.000 1.207 496 Y CA -0.603 57.507 58.100 0.017 0.000 1.266 496 Y CB -0.552 37.923 38.460 0.025 0.000 1.091 496 Y HN 0.014 nan 8.280 nan 0.000 0.501 497 M N -2.133 117.551 119.600 0.140 0.000 2.421 497 M HA 0.352 4.833 4.480 0.002 0.000 0.287 497 M C -1.325 175.008 176.300 0.055 0.000 1.183 497 M CA -0.901 54.449 55.300 0.084 0.000 0.916 497 M CB 1.785 34.430 32.600 0.074 0.000 1.701 497 M HN -0.120 nan 8.290 nan 0.000 0.470 498 L N 1.747 122.995 121.223 0.041 0.000 2.607 498 L HA 0.403 4.744 4.340 0.002 0.000 0.228 498 L C 0.471 177.357 176.870 0.026 0.000 1.123 498 L CA 0.527 55.385 54.840 0.030 0.000 0.890 498 L CB -0.692 41.382 42.059 0.026 0.000 1.103 498 L HN 0.894 nan 8.230 nan 0.000 0.468 499 R N -3.191 117.326 120.500 0.028 0.000 2.824 499 R HA 0.418 4.759 4.340 0.002 0.000 0.267 499 R C -3.040 173.270 176.300 0.017 0.000 1.035 499 R CA -1.408 54.703 56.100 0.019 0.000 0.887 499 R CB -0.277 30.032 30.300 0.014 0.000 1.262 499 R HN -0.329 nan 8.270 nan 0.000 0.487 500 P HA 0.036 nan 4.420 nan 0.000 0.264 500 P C -2.399 174.903 177.300 0.003 0.000 1.173 500 P CA -0.428 62.674 63.100 0.003 0.000 0.761 500 P CB -0.034 31.662 31.700 -0.006 0.000 0.794 501 P HA -0.033 nan 4.420 nan 0.000 0.258 501 P C -0.348 176.939 177.300 -0.022 0.000 1.187 501 P CA 0.252 63.358 63.100 0.010 0.000 0.767 501 P CB 0.013 31.722 31.700 0.016 0.000 0.770 502 Q N 6.557 126.338 119.800 -0.031 0.000 2.395 502 Q HA 0.290 4.630 4.340 0.002 0.000 0.271 502 Q C -2.181 173.705 176.000 -0.189 0.000 1.026 502 Q CA -1.486 54.260 55.803 -0.096 0.000 0.900 502 Q CB -0.324 28.359 28.738 -0.091 0.000 1.266 502 Q HN 0.325 nan 8.270 nan 0.000 0.430 503 P HA 0.244 nan 4.420 nan 0.000 0.279 503 P C -2.587 174.374 177.300 -0.566 0.000 1.276 503 P CA -1.933 60.988 63.100 -0.299 0.000 0.801 503 P CB 0.160 31.738 31.700 -0.204 0.000 1.127 504 P HA 0.139 nan 4.420 nan 0.000 0.282 504 P C -0.841 175.999 177.300 -0.767 0.000 1.274 504 P CA -0.040 62.503 63.100 -0.928 0.000 0.770 504 P CB 0.612 31.966 31.700 -0.576 0.000 0.867 505 V N 5.776 125.232 119.914 -0.763 0.000 2.443 505 V HA 0.284 4.405 4.120 0.002 0.000 0.293 505 V C -0.826 175.018 176.094 -0.417 0.000 1.021 505 V CA -0.532 61.472 62.300 -0.493 0.000 0.848 505 V CB 1.154 32.805 31.823 -0.287 0.000 0.998 505 V HN 0.342 nan 8.190 nan 0.000 0.424 506 Y N 5.052 125.278 120.300 -0.124 0.000 2.388 506 Y HA 0.672 5.223 4.550 0.002 0.000 0.328 506 Y C -0.310 175.341 175.900 -0.415 0.000 0.963 506 Y CA -1.247 56.704 58.100 -0.249 0.000 1.240 506 Y CB 1.669 40.028 38.460 -0.169 0.000 1.118 506 Y HN 0.555 nan 8.280 nan 0.000 0.484 507 L N 5.150 126.195 121.223 -0.296 0.000 2.298 507 L HA 0.635 4.976 4.340 0.002 0.000 0.284 507 L C -1.544 175.086 176.870 -0.399 0.000 1.013 507 L CA -0.582 54.072 54.840 -0.309 0.000 0.824 507 L CB 0.042 42.014 42.059 -0.146 0.000 1.221 507 L HN 0.311 nan 8.230 nan 0.000 0.418 508 F N 4.507 124.336 119.950 -0.202 0.000 2.394 508 F HA 0.573 5.101 4.527 0.001 0.000 0.340 508 F C 0.179 175.701 175.800 -0.463 0.000 1.105 508 F CA -0.646 57.211 58.000 -0.238 0.000 1.124 508 F CB 1.573 40.418 39.000 -0.259 0.000 1.145 508 F HN 0.076 nan 8.300 nan 0.000 0.505 509 V N 4.698 124.483 119.914 -0.215 0.000 2.357 509 V HA 0.321 4.442 4.120 0.002 0.000 0.281 509 V C -0.576 175.545 176.094 0.046 0.000 1.015 509 V CA -0.912 61.296 62.300 -0.154 0.000 0.827 509 V CB 0.249 32.033 31.823 -0.065 0.000 1.018 509 V HN 0.513 nan 8.190 nan 0.000 0.432 510 F N 2.014 122.168 119.950 0.341 0.000 2.385 510 F HA 0.503 5.031 4.527 0.001 0.000 0.336 510 F C 0.507 176.488 175.800 0.302 0.000 1.100 510 F CA -0.685 57.495 58.000 0.301 0.000 1.116 510 F CB 1.175 40.187 39.000 0.020 0.000 1.166 510 F HN 0.432 nan 8.300 nan 0.000 0.511 511 D N 2.145 122.752 120.400 0.346 0.000 2.359 511 D HA 0.241 4.882 4.640 0.002 0.000 0.230 511 D C 0.030 176.148 176.300 -0.304 0.000 1.118 511 D CA -0.557 53.159 54.000 -0.474 0.000 0.844 511 D CB 1.350 41.990 40.800 -0.267 0.000 1.059 511 D HN 0.345 nan 8.370 nan 0.000 0.493 512 V N 2.196 121.803 119.914 -0.511 0.000 3.110 512 V HA 0.282 4.403 4.120 0.002 0.000 0.368 512 V C 0.724 176.661 176.094 -0.262 0.000 1.332 512 V CA -0.187 61.826 62.300 -0.478 0.000 1.287 512 V CB -1.276 29.948 31.823 -0.999 0.000 1.277 512 V HN 0.473 nan 8.190 nan 0.000 0.502 513 S N -0.803 114.784 115.700 -0.189 0.000 2.626 513 S HA 0.147 4.618 4.470 0.002 0.000 0.257 513 S C 1.221 175.860 174.600 0.066 0.000 1.288 513 S CA 0.647 58.820 58.200 -0.045 0.000 0.980 513 S CB 0.289 63.457 63.200 -0.053 0.000 0.975 513 S HN 0.678 nan 8.310 nan 0.000 0.577 514 H N 1.011 120.082 119.070 0.001 0.000 2.253 514 H HA -0.190 4.367 4.556 0.002 0.000 0.296 514 H C 2.347 177.690 175.328 0.026 0.000 1.074 514 H CA 1.880 57.941 56.048 0.022 0.000 1.263 514 H CB -0.425 29.357 29.762 0.032 0.000 1.363 514 H HN 0.748 nan 8.280 nan 0.000 0.489 515 N N 0.961 119.626 118.700 -0.059 0.000 2.037 515 N HA -0.214 4.527 4.740 0.002 0.000 0.196 515 N C 2.071 177.581 175.510 -0.000 0.000 1.034 515 N CA 1.883 54.868 53.050 -0.109 0.000 0.861 515 N CB -0.559 37.903 38.487 -0.042 0.000 1.039 515 N HN 0.515 nan 8.380 nan 0.000 0.427 516 A N 0.393 123.233 122.820 0.034 0.000 2.024 516 A HA -0.080 4.241 4.320 0.002 0.000 0.220 516 A C 2.516 180.113 177.584 0.021 0.000 1.164 516 A CA 1.589 53.677 52.037 0.085 0.000 0.643 516 A CB -0.562 18.475 19.000 0.061 0.000 0.806 516 A HN 0.250 nan 8.150 nan 0.000 0.451 517 V N -0.542 119.372 119.914 -0.000 0.000 2.788 517 V HA -0.103 4.018 4.120 0.002 0.000 0.251 517 V C 2.413 178.488 176.094 -0.032 0.000 1.068 517 V CA 1.921 64.199 62.300 -0.038 0.000 1.090 517 V CB -0.201 31.652 31.823 0.050 0.000 0.710 517 V HN 0.688 nan 8.190 nan 0.000 0.467 518 E N 1.238 121.449 120.200 0.019 0.000 2.107 518 E HA -0.174 4.177 4.350 0.002 0.000 0.191 518 E C 2.291 178.872 176.600 -0.030 0.000 0.982 518 E CA 1.765 58.184 56.400 0.031 0.000 0.809 518 E CB -0.375 29.341 29.700 0.027 0.000 0.756 518 E HN 0.693 nan 8.360 nan 0.000 0.459 519 T N -2.729 111.833 114.554 0.013 0.000 2.867 519 T HA -0.010 4.341 4.350 0.002 0.000 0.268 519 T C 1.626 176.338 174.700 0.020 0.000 1.057 519 T CA 0.972 63.094 62.100 0.037 0.000 1.136 519 T CB -0.776 68.263 68.868 0.286 0.000 0.874 519 T HN 0.426 nan 8.240 nan 0.000 0.466 520 G N 1.448 110.189 108.800 -0.099 0.000 2.273 520 G HA2 -0.324 3.637 3.960 0.002 0.000 0.280 520 G HA3 -0.324 3.637 3.960 0.002 0.000 0.280 520 G C 0.231 175.061 174.900 -0.116 0.000 1.047 520 G CA 0.661 45.587 45.100 -0.291 0.000 0.869 520 G HN 0.912 nan 8.290 nan 0.000 0.502 521 Y N -1.627 118.640 120.300 -0.055 0.000 2.231 521 Y HA 0.313 4.864 4.550 0.001 0.000 0.294 521 Y C 2.453 178.147 175.900 -0.344 0.000 1.120 521 Y CA 0.930 58.909 58.100 -0.202 0.000 1.141 521 Y CB -0.689 37.444 38.460 -0.544 0.000 1.022 521 Y HN 0.229 nan 8.280 nan 0.000 0.523 522 L N 1.042 121.215 121.223 -1.749 0.000 2.113 522 L HA -0.410 3.931 4.340 0.002 0.000 0.221 522 L C 1.611 178.001 176.870 -0.801 0.000 1.084 522 L CA 2.415 56.389 54.840 -1.443 0.000 0.787 522 L CB -0.537 40.778 42.059 -1.241 0.000 0.893 522 L HN 0.417 nan 8.230 nan 0.000 0.440 523 N N -0.422 117.940 118.700 -0.563 0.000 2.025 523 N HA -0.204 4.537 4.740 0.002 0.000 0.194 523 N C 1.960 177.275 175.510 -0.325 0.000 1.044 523 N CA 1.997 54.812 53.050 -0.390 0.000 0.851 523 N CB -0.514 37.790 38.487 -0.306 0.000 1.036 523 N HN 0.491 nan 8.380 nan 0.000 0.422 524 S N 0.426 115.977 115.700 -0.249 0.000 2.348 524 S HA -0.118 4.353 4.470 0.002 0.000 0.221 524 S C 2.185 176.637 174.600 -0.246 0.000 1.033 524 S CA 1.262 59.350 58.200 -0.186 0.000 1.010 524 S CB -1.048 62.099 63.200 -0.089 0.000 0.891 524 S HN 0.091 nan 8.310 nan 0.000 0.442 525 V N 1.598 121.320 119.914 -0.320 0.000 2.313 525 V HA -0.308 3.813 4.120 0.002 0.000 0.253 525 V C 2.823 178.664 176.094 -0.421 0.000 1.070 525 V CA 2.041 64.105 62.300 -0.393 0.000 1.057 525 V CB -1.198 30.255 31.823 -0.616 0.000 0.653 525 V HN 0.709 nan 8.190 nan 0.000 0.450 526 C N -1.178 117.828 119.300 -0.490 0.000 2.450 526 C HA -0.099 4.362 4.460 0.002 0.000 0.279 526 C C 2.781 177.599 174.990 -0.287 0.000 1.335 526 C CA 1.010 59.770 59.018 -0.431 0.000 1.749 526 C CB -0.746 26.709 27.740 -0.476 0.000 1.963 526 C HN 0.611 nan 8.230 nan 0.000 0.501 527 Q N 1.238 120.894 119.800 -0.240 0.000 2.172 527 Q HA -0.073 4.267 4.340 0.002 0.000 0.200 527 Q C 2.241 178.161 176.000 -0.133 0.000 0.964 527 Q CA 1.744 57.447 55.803 -0.167 0.000 0.855 527 Q CB -0.287 28.365 28.738 -0.143 0.000 0.918 527 Q HN 0.605 nan 8.270 nan 0.000 0.444 528 S N 0.105 115.720 115.700 -0.142 0.000 2.343 528 S HA -0.107 4.364 4.470 0.002 0.000 0.219 528 S C 1.823 176.371 174.600 -0.086 0.000 1.033 528 S CA 1.200 59.343 58.200 -0.095 0.000 1.014 528 S CB -0.553 62.595 63.200 -0.087 0.000 0.915 528 S HN 0.392 nan 8.310 nan 0.000 0.435 529 L N 1.213 122.355 121.223 -0.136 0.000 2.010 529 L HA -0.224 4.116 4.340 0.002 0.000 0.219 529 L C 2.457 179.285 176.870 -0.070 0.000 1.077 529 L CA 1.376 56.142 54.840 -0.124 0.000 0.773 529 L CB -0.569 41.346 42.059 -0.241 0.000 0.892 529 L HN 0.315 nan 8.230 nan 0.000 0.436 530 L N -0.494 120.671 121.223 -0.097 0.000 1.970 530 L HA -0.299 4.042 4.340 0.002 0.000 0.212 530 L C 2.327 179.175 176.870 -0.037 0.000 1.071 530 L CA 1.706 56.505 54.840 -0.068 0.000 0.751 530 L CB -0.594 41.408 42.059 -0.094 0.000 0.889 530 L HN 0.404 nan 8.230 nan 0.000 0.432 531 D N -0.202 120.173 120.400 -0.042 0.000 2.218 531 D HA -0.135 4.506 4.640 0.002 0.000 0.204 531 D C 0.930 177.229 176.300 -0.003 0.000 0.976 531 D CA 1.018 55.004 54.000 -0.023 0.000 0.853 531 D CB -0.176 40.607 40.800 -0.027 0.000 0.939 531 D HN 0.447 nan 8.370 nan 0.000 0.481 532 N N 0.414 119.115 118.700 0.001 0.000 2.338 532 N HA 0.037 4.777 4.740 0.002 0.000 0.251 532 N C 1.308 176.843 175.510 0.043 0.000 1.199 532 N CA -0.176 52.888 53.050 0.024 0.000 0.879 532 N CB 0.970 39.474 38.487 0.027 0.000 1.159 532 N HN 0.048 nan 8.380 nan 0.000 0.514 533 L N 1.412 122.660 121.223 0.042 0.000 2.027 533 L HA -0.053 4.288 4.340 0.002 0.000 0.206 533 L C 1.660 178.584 176.870 0.090 0.000 1.074 533 L CA 1.842 56.727 54.840 0.075 0.000 0.745 533 L CB -0.299 41.800 42.059 0.066 0.000 0.898 533 L HN 0.081 nan 8.230 nan 0.000 0.433 534 D N -0.768 119.673 120.400 0.068 0.000 2.219 534 D HA -0.110 4.531 4.640 0.002 0.000 0.205 534 D C 1.996 178.342 176.300 0.075 0.000 0.970 534 D CA 0.985 55.026 54.000 0.069 0.000 0.851 534 D CB 0.125 40.955 40.800 0.051 0.000 0.943 534 D HN 0.332 nan 8.370 nan 0.000 0.488 535 L N 0.923 122.187 121.223 0.068 0.000 2.627 535 L HA 0.107 4.448 4.340 0.002 0.000 0.233 535 L C 0.688 177.606 176.870 0.080 0.000 1.144 535 L CA -0.128 54.751 54.840 0.066 0.000 0.892 535 L CB -0.039 42.049 42.059 0.049 0.000 1.039 535 L HN -0.131 nan 8.230 nan 0.000 0.442 536 L N 1.204 122.492 121.223 0.109 0.000 2.416 536 L HA 0.188 4.529 4.340 0.002 0.000 0.272 536 L C -1.910 175.089 176.870 0.215 0.000 1.161 536 L CA -1.848 53.076 54.840 0.141 0.000 0.845 536 L CB -0.080 42.112 42.059 0.223 0.000 1.119 536 L HN -0.160 nan 8.230 nan 0.000 0.464 537 P HA 0.243 nan 4.420 nan 0.000 0.264 537 P C -0.083 177.411 177.300 0.323 0.000 1.193 537 P CA 0.178 63.437 63.100 0.265 0.000 0.763 537 P CB 0.787 32.651 31.700 0.273 0.000 0.810 538 G N 2.094 111.022 108.800 0.214 0.000 2.312 538 G HA2 0.128 4.089 3.960 0.002 0.000 0.347 538 G HA3 0.128 4.089 3.960 0.002 0.000 0.347 538 G C -0.505 174.454 174.900 0.097 0.000 1.564 538 G CA -0.857 44.333 45.100 0.149 0.000 0.981 538 G HN 0.549 nan 8.290 nan 0.000 0.678 539 N N -0.790 117.946 118.700 0.060 0.000 2.374 539 N HA 0.414 5.155 4.740 0.002 0.000 0.272 539 N C 1.843 177.372 175.510 0.032 0.000 1.340 539 N CA 1.154 54.231 53.050 0.044 0.000 0.919 539 N CB -0.338 38.167 38.487 0.030 0.000 1.087 539 N HN 0.861 nan 8.380 nan 0.000 0.454 540 T N -4.219 110.347 114.554 0.019 0.000 3.065 540 T HA 0.178 4.529 4.350 0.002 0.000 0.252 540 T C 1.192 175.890 174.700 -0.002 0.000 1.099 540 T CA 0.047 62.156 62.100 0.015 0.000 1.063 540 T CB -0.196 68.681 68.868 0.015 0.000 0.948 540 T HN 0.237 nan 8.240 nan 0.000 0.506 541 R N 1.758 122.246 120.500 -0.020 0.000 2.328 541 R HA 0.103 4.444 4.340 0.002 0.000 0.200 541 R C 0.031 176.282 176.300 -0.081 0.000 0.983 541 R CA 0.130 56.201 56.100 -0.048 0.000 1.062 541 R CB -0.439 29.824 30.300 -0.062 0.000 0.956 541 R HN 0.346 nan 8.270 nan 0.000 0.479 542 T N 2.002 116.519 114.554 -0.062 0.000 2.853 542 T HA 0.101 4.452 4.350 0.002 0.000 0.298 542 T C 0.262 174.909 174.700 -0.088 0.000 0.978 542 T CA 0.434 62.475 62.100 -0.099 0.000 1.152 542 T CB 1.044 69.901 68.868 -0.019 0.000 0.914 542 T HN 0.033 nan 8.240 nan 0.000 0.539 543 K N 2.654 122.956 120.400 -0.163 0.000 2.259 543 K HA 0.701 5.022 4.320 0.002 0.000 0.252 543 K C -0.641 175.895 176.600 -0.108 0.000 0.936 543 K CA -0.773 55.446 56.287 -0.114 0.000 0.810 543 K CB 2.395 34.815 32.500 -0.134 0.000 1.143 543 K HN 0.513 nan 8.250 nan 0.000 0.427 544 I N 0.177 120.727 120.570 -0.034 0.000 2.865 544 I HA 0.663 4.834 4.170 0.002 0.000 0.302 544 I C -0.995 175.024 176.117 -0.164 0.000 1.140 544 I CA -0.417 60.862 61.300 -0.036 0.000 1.021 544 I CB 2.236 40.303 38.000 0.111 0.000 1.233 544 I HN 0.752 nan 8.210 nan 0.000 0.427 545 G N 4.317 112.862 108.800 -0.425 0.000 2.684 545 G HA2 0.716 4.676 3.960 0.002 0.000 0.290 545 G HA3 0.716 4.676 3.960 0.002 0.000 0.290 545 G C -2.115 172.242 174.900 -0.905 0.000 1.425 545 G CA -0.449 44.380 45.100 -0.451 0.000 0.822 545 G HN 0.409 nan 8.290 nan 0.000 0.482 546 F N -0.765 119.278 119.950 0.155 0.000 2.619 546 F HA 0.748 5.276 4.527 0.001 0.000 0.308 546 F C -0.151 175.718 175.800 0.115 0.000 1.097 546 F CA -0.824 57.212 58.000 0.060 0.000 0.953 546 F CB 2.607 41.580 39.000 -0.044 0.000 1.287 546 F HN 0.299 nan 8.300 nan 0.000 0.446 547 I N 1.498 122.186 120.570 0.198 0.000 2.710 547 I HA 0.387 4.558 4.170 0.002 0.000 0.290 547 I C -0.941 175.280 176.117 0.174 0.000 1.318 547 I CA -0.541 60.859 61.300 0.167 0.000 1.045 547 I CB 2.784 40.727 38.000 -0.095 0.000 1.307 547 I HN 0.716 nan 8.210 nan 0.000 0.424 548 T N 2.349 117.085 114.554 0.303 0.000 2.949 548 T HA 0.902 5.253 4.350 0.002 0.000 0.287 548 T C -0.682 173.868 174.700 -0.250 0.000 1.034 548 T CA -0.807 61.378 62.100 0.141 0.000 1.018 548 T CB 2.251 71.229 68.868 0.183 0.000 1.135 548 T HN 0.518 nan 8.240 nan 0.000 0.532 549 F N -0.677 118.865 119.950 -0.678 0.000 2.725 549 F HA 0.613 5.141 4.527 0.002 0.000 0.311 549 F C -1.263 174.381 175.800 -0.259 0.000 1.121 549 F CA -1.002 56.606 58.000 -0.652 0.000 0.978 549 F CB 0.781 39.615 39.000 -0.276 0.000 1.274 549 F HN 0.662 nan 8.300 nan 0.000 0.440 550 D N 0.597 120.896 120.400 -0.167 0.000 2.756 550 D HA 0.146 4.787 4.640 0.002 0.000 0.148 550 D C 1.126 177.473 176.300 0.077 0.000 1.444 550 D CA 0.866 54.803 54.000 -0.104 0.000 1.556 550 D CB -0.334 40.489 40.800 0.039 0.000 1.646 550 D HN 0.421 nan 8.370 nan 0.000 0.205 551 S N -0.766 115.024 115.700 0.150 0.000 2.511 551 S HA 0.275 4.745 4.470 0.002 0.000 0.214 551 S C 0.733 175.438 174.600 0.175 0.000 0.997 551 S CA 0.416 58.700 58.200 0.141 0.000 0.908 551 S CB -0.417 62.850 63.200 0.111 0.000 0.803 551 S HN 0.625 nan 8.310 nan 0.000 0.504 552 T N -0.230 114.481 114.554 0.261 0.000 2.901 552 T HA 0.756 5.107 4.350 0.002 0.000 0.293 552 T C -0.911 174.010 174.700 0.368 0.000 1.084 552 T CA -0.903 61.363 62.100 0.276 0.000 1.008 552 T CB 1.059 70.063 68.868 0.227 0.000 1.170 552 T HN -0.030 nan 8.240 nan 0.000 0.509 553 I N 2.294 123.015 120.570 0.251 0.000 2.325 553 I HA 0.266 4.437 4.170 0.002 0.000 0.291 553 I C 0.213 176.447 176.117 0.196 0.000 1.019 553 I CA -0.413 60.942 61.300 0.092 0.000 1.302 553 I CB 0.555 38.467 38.000 -0.147 0.000 1.401 553 I HN 0.666 nan 8.210 nan 0.000 0.485 554 H N 6.670 125.701 119.070 -0.065 0.000 2.661 554 H HA 0.363 4.920 4.556 0.002 0.000 0.290 554 H C -0.724 174.584 175.328 -0.034 0.000 1.082 554 H CA -0.793 55.243 56.048 -0.019 0.000 1.234 554 H CB 0.348 30.206 29.762 0.160 0.000 1.387 554 H HN 0.328 nan 8.280 nan 0.000 0.476 555 F N 1.866 121.927 119.950 0.185 0.000 2.370 555 F HA 0.285 4.813 4.527 0.002 0.000 0.319 555 F C -0.042 175.860 175.800 0.170 0.000 1.129 555 F CA -0.260 57.886 58.000 0.242 0.000 1.109 555 F CB 0.712 39.789 39.000 0.129 0.000 1.262 555 F HN 0.429 nan 8.300 nan 0.000 0.534 556 Y N -0.131 120.406 120.300 0.394 0.000 2.361 556 Y HA 0.512 5.063 4.550 0.001 0.000 0.328 556 Y C 0.341 176.391 175.900 0.249 0.000 1.044 556 Y CA -1.226 57.048 58.100 0.291 0.000 1.085 556 Y CB 1.692 40.325 38.460 0.287 0.000 1.194 556 Y HN 0.700 nan 8.280 nan 0.000 0.438 557 G N 2.453 111.434 108.800 0.301 0.000 2.437 557 G HA2 0.709 4.670 3.960 0.002 0.000 0.319 557 G HA3 0.709 4.670 3.960 0.002 0.000 0.319 557 G C -1.415 173.605 174.900 0.200 0.000 1.158 557 G CA -0.748 44.479 45.100 0.213 0.000 0.899 557 G HN 0.508 nan 8.290 nan 0.000 0.502 558 L N 0.847 122.165 121.223 0.159 0.000 2.573 558 L HA 0.309 4.650 4.340 0.002 0.000 0.260 558 L C -0.245 176.684 176.870 0.098 0.000 0.997 558 L CA -0.231 54.692 54.840 0.137 0.000 0.890 558 L CB 1.722 43.881 42.059 0.165 0.000 1.179 558 L HN 0.498 nan 8.230 nan 0.000 0.439 559 Q N 1.255 121.102 119.800 0.077 0.000 2.306 559 Q HA 0.292 4.633 4.340 0.002 0.000 0.265 559 Q C 0.335 176.365 176.000 0.050 0.000 1.022 559 Q CA -0.581 55.257 55.803 0.057 0.000 0.853 559 Q CB 2.747 31.513 28.738 0.047 0.000 1.327 559 Q HN 0.482 nan 8.270 nan 0.000 0.449 560 E N 0.756 120.981 120.200 0.041 0.000 2.502 560 E HA -0.085 4.266 4.350 0.002 0.000 0.194 560 E C 0.760 177.377 176.600 0.028 0.000 1.062 560 E CA 0.771 57.191 56.400 0.035 0.000 0.867 560 E CB 0.346 30.065 29.700 0.031 0.000 0.888 560 E HN 0.672 nan 8.360 nan 0.000 0.510 561 S N -0.453 115.263 115.700 0.028 0.000 2.478 561 S HA 0.111 4.582 4.470 0.002 0.000 0.222 561 S C 0.794 175.407 174.600 0.022 0.000 1.008 561 S CA -0.232 57.982 58.200 0.022 0.000 0.928 561 S CB -0.001 63.211 63.200 0.021 0.000 0.781 561 S HN 0.098 nan 8.310 nan 0.000 0.518 562 L N 1.543 122.782 121.223 0.027 0.000 2.322 562 L HA 0.454 4.795 4.340 0.002 0.000 0.279 562 L C 1.076 177.961 176.870 0.025 0.000 1.036 562 L CA -0.637 54.219 54.840 0.026 0.000 0.807 562 L CB 1.505 43.584 42.059 0.033 0.000 1.226 562 L HN 0.013 nan 8.230 nan 0.000 0.433 563 S N 0.825 116.537 115.700 0.019 0.000 2.465 563 S HA -0.122 4.349 4.470 0.002 0.000 0.241 563 S C 0.257 174.867 174.600 0.018 0.000 1.000 563 S CA 0.955 59.164 58.200 0.015 0.000 0.964 563 S CB -0.267 62.938 63.200 0.009 0.000 0.763 563 S HN 0.747 nan 8.310 nan 0.000 0.512 564 Q N -0.481 119.335 119.800 0.026 0.000 2.545 564 Q HA 0.414 4.755 4.340 0.002 0.000 0.273 564 Q C -3.336 172.697 176.000 0.054 0.000 0.975 564 Q CA -1.947 53.876 55.803 0.033 0.000 0.876 564 Q CB 0.660 29.411 28.738 0.021 0.000 1.472 564 Q HN -0.093 nan 8.270 nan 0.000 0.389 565 P HA -0.138 nan 4.420 nan 0.000 0.269 565 P C -1.173 176.197 177.300 0.117 0.000 1.205 565 P CA 0.374 63.551 63.100 0.129 0.000 0.780 565 P CB 0.438 32.246 31.700 0.181 0.000 0.858 566 Q N 1.291 121.167 119.800 0.127 0.000 2.341 566 Q HA 0.527 4.868 4.340 0.002 0.000 0.268 566 Q C -0.409 175.598 176.000 0.010 0.000 1.013 566 Q CA -0.854 54.987 55.803 0.063 0.000 0.798 566 Q CB 1.563 30.333 28.738 0.054 0.000 1.253 566 Q HN 0.429 nan 8.270 nan 0.000 0.457 567 M N 5.126 124.651 119.600 -0.124 0.000 2.193 567 M HA 0.271 4.751 4.480 0.002 0.000 0.342 567 M C -1.797 174.400 176.300 -0.171 0.000 1.413 567 M CA -0.414 54.650 55.300 -0.393 0.000 1.191 567 M CB 0.215 32.550 32.600 -0.442 0.000 1.633 567 M HN 0.724 nan 8.290 nan 0.000 0.458 568 L N 7.035 128.226 121.223 -0.053 0.000 2.264 568 L HA 0.487 4.828 4.340 0.002 0.000 0.289 568 L C -0.651 176.312 176.870 0.156 0.000 1.044 568 L CA -0.257 54.630 54.840 0.080 0.000 0.807 568 L CB 1.153 43.294 42.059 0.137 0.000 1.192 568 L HN 0.664 nan 8.230 nan 0.000 0.425 569 I N 3.993 124.622 120.570 0.099 0.000 2.339 569 I HA 0.304 4.475 4.170 0.002 0.000 0.290 569 I C -0.390 175.808 176.117 0.135 0.000 0.994 569 I CA -0.727 60.634 61.300 0.101 0.000 1.191 569 I CB 1.747 39.736 38.000 -0.018 0.000 1.343 569 I HN 0.207 nan 8.210 nan 0.000 0.458 570 V N 5.677 125.681 119.914 0.151 0.000 2.383 570 V HA 0.164 4.285 4.120 0.002 0.000 0.275 570 V C 0.896 177.036 176.094 0.076 0.000 1.036 570 V CA 0.014 62.342 62.300 0.047 0.000 0.889 570 V CB 1.481 33.244 31.823 -0.099 0.000 0.985 570 V HN 0.963 nan 8.190 nan 0.000 0.459 571 S N 1.635 117.390 115.700 0.092 0.000 2.505 571 S HA 0.104 4.574 4.470 0.002 0.000 0.216 571 S C 0.581 175.239 174.600 0.096 0.000 1.018 571 S CA -0.262 57.995 58.200 0.096 0.000 0.911 571 S CB 0.157 63.411 63.200 0.089 0.000 0.818 571 S HN 0.712 nan 8.310 nan 0.000 0.497 572 D N 2.368 122.838 120.400 0.117 0.000 2.402 572 D HA 0.186 4.827 4.640 0.002 0.000 0.235 572 D C 0.810 177.166 176.300 0.094 0.000 1.226 572 D CA -0.277 53.796 54.000 0.123 0.000 0.918 572 D CB 0.202 41.115 40.800 0.188 0.000 1.043 572 D HN 0.060 nan 8.370 nan 0.000 0.506 573 I N 2.687 123.303 120.570 0.077 0.000 2.676 573 I HA -0.132 4.039 4.170 0.002 0.000 0.259 573 I C 1.541 177.691 176.117 0.056 0.000 1.194 573 I CA 0.742 62.079 61.300 0.062 0.000 1.473 573 I CB -0.428 37.605 38.000 0.056 0.000 1.096 573 I HN 0.315 nan 8.210 nan 0.000 0.443 574 E N 0.213 120.449 120.200 0.061 0.000 2.476 574 E HA -0.033 4.318 4.350 0.002 0.000 0.191 574 E C -0.246 176.401 176.600 0.078 0.000 1.064 574 E CA 0.183 56.616 56.400 0.055 0.000 0.866 574 E CB 0.032 29.759 29.700 0.046 0.000 0.952 574 E HN 0.272 nan 8.360 nan 0.000 0.492 575 D N -0.311 120.152 120.400 0.105 0.000 2.881 575 D HA 0.033 4.674 4.640 0.002 0.000 0.238 575 D C -0.504 175.914 176.300 0.196 0.000 1.368 575 D CA -0.293 53.793 54.000 0.144 0.000 0.871 575 D CB 0.191 41.079 40.800 0.148 0.000 1.516 575 D HN -0.067 nan 8.370 nan 0.000 0.544 576 V N 0.092 120.088 119.914 0.135 0.000 3.441 576 V HA 0.870 4.991 4.120 0.002 0.000 0.300 576 V C 0.093 176.277 176.094 0.150 0.000 1.091 576 V CA 0.119 62.445 62.300 0.043 0.000 1.099 576 V CB 0.466 32.319 31.823 0.051 0.000 1.138 576 V HN 0.456 nan 8.190 nan 0.000 0.471 577 F N -1.769 118.254 119.950 0.122 0.000 2.878 577 F HA 0.674 5.202 4.527 0.002 0.000 0.322 577 F C -1.271 174.499 175.800 -0.049 0.000 1.154 577 F CA -1.710 56.316 58.000 0.042 0.000 0.896 577 F CB 0.505 39.516 39.000 0.018 0.000 1.313 577 F HN 0.509 nan 8.300 nan 0.000 0.451 578 I N 3.198 123.853 120.570 0.141 0.000 2.365 578 I HA 0.303 4.474 4.170 0.002 0.000 0.291 578 I C -1.364 174.791 176.117 0.062 0.000 1.004 578 I CA -1.750 59.442 61.300 -0.179 0.000 1.311 578 I CB 1.709 39.618 38.000 -0.152 0.000 1.401 578 I HN 0.547 nan 8.210 nan 0.000 0.491 579 P HA 0.009 nan 4.420 nan 0.000 0.231 579 P C 0.010 177.309 177.300 -0.001 0.000 1.168 579 P CA 0.794 63.933 63.100 0.065 0.000 0.779 579 P CB 0.760 32.454 31.700 -0.009 0.000 0.844 580 M N 0.223 119.781 119.600 -0.070 0.000 2.365 580 M HA 0.352 4.833 4.480 0.002 0.000 0.287 580 M C -2.278 173.995 176.300 -0.045 0.000 1.154 580 M CA -2.057 53.222 55.300 -0.036 0.000 0.941 580 M CB 2.859 35.451 32.600 -0.014 0.000 1.704 580 M HN -0.413 nan 8.290 nan 0.000 0.479 581 P HA -0.038 nan 4.420 nan 0.000 0.215 581 P C -0.155 177.132 177.300 -0.020 0.000 1.157 581 P CA 1.180 64.263 63.100 -0.027 0.000 0.859 581 P CB 0.332 32.020 31.700 -0.021 0.000 0.786 582 E N -1.331 118.864 120.200 -0.008 0.000 2.259 582 E HA 0.198 4.549 4.350 0.002 0.000 0.257 582 E C 0.309 176.921 176.600 0.020 0.000 0.998 582 E CA -0.648 55.754 56.400 0.003 0.000 0.866 582 E CB 0.731 30.434 29.700 0.006 0.000 1.220 582 E HN -0.096 nan 8.360 nan 0.000 0.415 583 N N -0.140 118.579 118.700 0.032 0.000 2.951 583 N HA -0.246 4.495 4.740 0.002 0.000 0.218 583 N C 1.220 176.785 175.510 0.091 0.000 0.858 583 N CA 1.426 54.513 53.050 0.060 0.000 1.050 583 N CB -1.003 37.523 38.487 0.065 0.000 1.012 583 N HN 0.486 nan 8.380 nan 0.000 0.611 584 L N 0.537 121.807 121.223 0.078 0.000 2.109 584 L HA 0.057 4.398 4.340 0.002 0.000 0.207 584 L C 1.001 177.939 176.870 0.114 0.000 1.086 584 L CA 1.019 55.935 54.840 0.127 0.000 0.760 584 L CB -0.081 42.035 42.059 0.095 0.000 0.910 584 L HN 0.081 nan 8.230 nan 0.000 0.437 585 L N 1.713 122.968 121.223 0.054 0.000 2.313 585 L HA 0.288 4.629 4.340 0.002 0.000 0.273 585 L C -0.129 176.752 176.870 0.018 0.000 1.028 585 L CA -0.601 54.248 54.840 0.015 0.000 0.871 585 L CB 1.445 43.489 42.059 -0.025 0.000 1.242 585 L HN -0.078 nan 8.230 nan 0.000 0.434 586 V N 0.050 119.991 119.914 0.046 0.000 3.170 586 V HA 0.380 4.501 4.120 0.002 0.000 0.309 586 V C 0.317 176.432 176.094 0.035 0.000 1.071 586 V CA -0.854 61.478 62.300 0.054 0.000 1.063 586 V CB 1.590 33.471 31.823 0.098 0.000 1.123 586 V HN 0.682 nan 8.190 nan 0.000 0.464 587 N N 1.416 120.137 118.700 0.035 0.000 2.439 587 N HA 0.104 4.845 4.740 0.002 0.000 0.243 587 N C 0.621 176.161 175.510 0.051 0.000 1.088 587 N CA -0.312 52.753 53.050 0.025 0.000 0.940 587 N CB 1.012 39.509 38.487 0.017 0.000 1.180 587 N HN 0.861 nan 8.380 nan 0.000 0.505 588 L N 5.680 126.941 121.223 0.063 0.000 1.976 588 L HA -0.278 4.063 4.340 0.002 0.000 0.223 588 L C 1.980 178.895 176.870 0.076 0.000 1.081 588 L CA 2.038 56.934 54.840 0.094 0.000 0.784 588 L CB -1.145 40.985 42.059 0.118 0.000 0.896 588 L HN 0.708 nan 8.230 nan 0.000 0.438 589 N N -1.110 117.626 118.700 0.060 0.000 2.055 589 N HA -0.314 4.427 4.740 0.002 0.000 0.200 589 N C 1.770 177.307 175.510 0.045 0.000 1.037 589 N CA 2.272 55.352 53.050 0.050 0.000 0.881 589 N CB -0.204 38.305 38.487 0.037 0.000 1.075 589 N HN 0.578 nan 8.380 nan 0.000 0.470 590 E N -0.174 120.049 120.200 0.039 0.000 2.023 590 E HA -0.114 4.237 4.350 0.002 0.000 0.196 590 E C 1.534 178.161 176.600 0.045 0.000 1.003 590 E CA 1.418 57.840 56.400 0.037 0.000 0.809 590 E CB -0.110 29.608 29.700 0.031 0.000 0.755 590 E HN 0.315 nan 8.360 nan 0.000 0.449 591 S N 0.989 116.723 115.700 0.056 0.000 2.786 591 S HA -0.009 4.461 4.470 0.002 0.000 0.223 591 S C 1.175 175.820 174.600 0.076 0.000 0.956 591 S CA 0.081 58.322 58.200 0.068 0.000 0.961 591 S CB 0.038 63.289 63.200 0.084 0.000 0.784 591 S HN 0.144 nan 8.310 nan 0.000 0.519 592 K N 2.897 123.337 120.400 0.067 0.000 2.015 592 K HA -0.222 4.099 4.320 0.002 0.000 0.220 592 K C 1.830 178.463 176.600 0.054 0.000 1.055 592 K CA 1.894 58.221 56.287 0.066 0.000 0.951 592 K CB -0.262 32.270 32.500 0.053 0.000 0.725 592 K HN 0.246 nan 8.250 nan 0.000 0.449 593 E N 0.542 120.766 120.200 0.040 0.000 2.097 593 E HA -0.237 4.114 4.350 0.002 0.000 0.196 593 E C 2.250 178.868 176.600 0.030 0.000 1.000 593 E CA 1.621 58.038 56.400 0.028 0.000 0.804 593 E CB -0.407 29.307 29.700 0.023 0.000 0.740 593 E HN 0.392 nan 8.360 nan 0.000 0.454 594 L N 0.654 121.905 121.223 0.045 0.000 1.970 594 L HA -0.203 4.138 4.340 0.002 0.000 0.212 594 L C 2.693 179.596 176.870 0.055 0.000 1.071 594 L CA 1.147 56.020 54.840 0.054 0.000 0.751 594 L CB -0.661 41.442 42.059 0.074 0.000 0.889 594 L HN 0.003 nan 8.230 nan 0.000 0.432 595 V N -0.613 119.350 119.914 0.083 0.000 2.295 595 V HA -0.296 3.825 4.120 0.002 0.000 0.246 595 V C 2.488 178.574 176.094 -0.013 0.000 1.049 595 V CA 1.642 63.994 62.300 0.086 0.000 1.024 595 V CB -0.723 31.224 31.823 0.205 0.000 0.648 595 V HN 0.501 nan 8.190 nan 0.000 0.447 596 Q N -0.185 119.617 119.800 0.003 0.000 2.173 596 Q HA -0.283 4.058 4.340 0.002 0.000 0.208 596 Q C 2.029 177.991 176.000 -0.064 0.000 0.989 596 Q CA 1.960 57.744 55.803 -0.032 0.000 0.872 596 Q CB -0.388 28.343 28.738 -0.010 0.000 0.909 596 Q HN 0.696 nan 8.270 nan 0.000 0.420 597 D N 0.552 120.925 120.400 -0.046 0.000 2.123 597 D HA -0.118 4.523 4.640 0.002 0.000 0.200 597 D C 1.996 178.244 176.300 -0.086 0.000 0.976 597 D CA 0.584 54.552 54.000 -0.052 0.000 0.831 597 D CB -0.141 40.646 40.800 -0.022 0.000 0.974 597 D HN 0.112 nan 8.370 nan 0.000 0.469 598 L N 1.158 122.318 121.223 -0.104 0.000 2.079 598 L HA -0.146 4.195 4.340 0.002 0.000 0.210 598 L C 2.275 178.982 176.870 -0.273 0.000 1.081 598 L CA 1.277 56.014 54.840 -0.171 0.000 0.752 598 L CB -0.434 41.484 42.059 -0.234 0.000 0.896 598 L HN 0.001 nan 8.230 nan 0.000 0.433 599 L N -0.981 120.063 121.223 -0.299 0.000 2.093 599 L HA -0.207 4.134 4.340 0.002 0.000 0.208 599 L C 2.366 179.089 176.870 -0.245 0.000 1.085 599 L CA 1.289 55.931 54.840 -0.330 0.000 0.755 599 L CB -0.506 41.378 42.059 -0.293 0.000 0.904 599 L HN 0.241 nan 8.230 nan 0.000 0.435 600 K N -0.904 119.391 120.400 -0.175 0.000 2.439 600 K HA -0.048 4.273 4.320 0.002 0.000 0.197 600 K C 1.700 178.225 176.600 -0.126 0.000 1.041 600 K CA 1.063 57.266 56.287 -0.140 0.000 0.970 600 K CB 0.066 32.505 32.500 -0.101 0.000 0.773 600 K HN 0.357 nan 8.250 nan 0.000 0.479 601 T N 0.804 115.283 114.554 -0.125 0.000 3.053 601 T HA 0.078 4.429 4.350 0.002 0.000 0.236 601 T C 1.756 176.408 174.700 -0.080 0.000 0.996 601 T CA -0.054 61.992 62.100 -0.089 0.000 1.185 601 T CB -0.226 68.610 68.868 -0.054 0.000 0.892 601 T HN -0.001 nan 8.240 nan 0.000 0.432 602 L N 1.356 122.530 121.223 -0.081 0.000 2.077 602 L HA -0.216 4.125 4.340 0.002 0.000 0.231 602 L C -0.678 176.209 176.870 0.029 0.000 1.100 602 L CA 2.086 56.928 54.840 0.004 0.000 0.819 602 L CB -1.710 40.248 42.059 -0.168 0.000 0.913 602 L HN 0.235 nan 8.230 nan 0.000 0.446 603 P HA -0.200 nan 4.420 nan 0.000 0.220 603 P C 1.124 178.378 177.300 -0.076 0.000 1.144 603 P CA 1.406 64.399 63.100 -0.179 0.000 0.800 603 P CB -0.017 31.528 31.700 -0.258 0.000 0.772 604 Q N -2.002 117.762 119.800 -0.060 0.000 2.402 604 Q HA 0.178 4.519 4.340 0.002 0.000 0.206 604 Q C 1.814 177.762 176.000 -0.088 0.000 0.919 604 Q CA 0.502 56.263 55.803 -0.070 0.000 0.923 604 Q CB -0.296 28.390 28.738 -0.086 0.000 1.048 604 Q HN 0.300 nan 8.270 nan 0.000 0.515 605 M N -0.265 119.264 119.600 -0.119 0.000 2.630 605 M HA 0.011 4.492 4.480 0.002 0.000 0.254 605 M C 0.044 175.886 176.300 -0.763 0.000 1.092 605 M CA 1.261 56.282 55.300 -0.464 0.000 1.087 605 M CB 0.337 32.523 32.600 -0.691 0.000 1.453 605 M HN 0.139 nan 8.290 nan 0.000 0.509 606 F N -2.227 117.695 119.950 -0.047 0.000 2.815 606 F HA 0.221 4.749 4.527 0.002 0.000 0.323 606 F C 1.504 177.272 175.800 -0.053 0.000 1.151 606 F CA -0.376 57.602 58.000 -0.036 0.000 1.191 606 F CB -0.453 38.534 39.000 -0.022 0.000 1.069 606 F HN -0.092 nan 8.300 nan 0.000 0.514 607 T N -0.292 114.291 114.554 0.048 0.000 2.833 607 T HA -0.180 4.171 4.350 0.002 0.000 0.269 607 T C 1.389 176.094 174.700 0.009 0.000 1.054 607 T CA 1.182 63.289 62.100 0.013 0.000 1.135 607 T CB -0.252 68.598 68.868 -0.030 0.000 0.869 607 T HN 0.357 nan 8.240 nan 0.000 0.466 608 K N 1.897 122.290 120.400 -0.011 0.000 2.814 608 K HA 0.292 4.613 4.320 0.002 0.000 0.213 608 K C -0.349 176.226 176.600 -0.042 0.000 1.113 608 K CA -0.281 55.986 56.287 -0.033 0.000 1.145 608 K CB 0.068 32.543 32.500 -0.043 0.000 0.948 608 K HN 0.019 nan 8.250 nan 0.000 0.464 609 T N 1.332 115.882 114.554 -0.006 0.000 2.918 609 T HA 0.146 4.497 4.350 0.002 0.000 0.302 609 T C 0.669 175.306 174.700 -0.104 0.000 1.045 609 T CA -0.217 61.889 62.100 0.011 0.000 1.114 609 T CB 1.230 70.175 68.868 0.127 0.000 0.965 609 T HN 0.304 nan 8.240 nan 0.000 0.540 610 L N 1.212 122.394 121.223 -0.069 0.000 3.069 610 L HA 0.212 4.552 4.340 0.002 0.000 0.271 610 L C 0.257 177.119 176.870 -0.013 0.000 1.201 610 L CA -0.053 54.720 54.840 -0.111 0.000 1.015 610 L CB 0.434 42.446 42.059 -0.078 0.000 1.371 610 L HN 0.545 nan 8.230 nan 0.000 0.574 611 E N 0.597 120.823 120.200 0.043 0.000 2.166 611 E HA 0.060 4.411 4.350 0.002 0.000 0.279 611 E C 1.095 177.756 176.600 0.101 0.000 1.095 611 E CA 0.160 56.604 56.400 0.074 0.000 0.888 611 E CB 1.408 31.162 29.700 0.089 0.000 1.041 611 E HN 0.245 nan 8.360 nan 0.000 0.414 612 T N -0.155 114.456 114.554 0.095 0.000 2.983 612 T HA -0.008 4.343 4.350 0.002 0.000 0.250 612 T C 0.877 175.619 174.700 0.070 0.000 1.037 612 T CA 0.147 62.310 62.100 0.106 0.000 1.142 612 T CB 0.263 69.193 68.868 0.103 0.000 0.876 612 T HN 0.263 nan 8.240 nan 0.000 0.455 613 Q N 1.382 121.219 119.800 0.062 0.000 2.417 613 Q HA 0.520 4.861 4.340 0.002 0.000 0.241 613 Q C -0.731 175.295 176.000 0.044 0.000 1.008 613 Q CA -0.177 55.660 55.803 0.056 0.000 0.901 613 Q CB 1.106 29.880 28.738 0.059 0.000 1.259 613 Q HN 0.358 nan 8.270 nan 0.000 0.489 614 S N -0.233 115.501 115.700 0.057 0.000 2.736 614 S HA 0.496 4.967 4.470 0.002 0.000 0.285 614 S C -1.113 173.592 174.600 0.174 0.000 1.163 614 S CA -0.565 57.674 58.200 0.064 0.000 1.025 614 S CB 1.027 64.231 63.200 0.006 0.000 1.030 614 S HN 0.628 nan 8.310 nan 0.000 0.486 615 A N 5.309 128.275 122.820 0.242 0.000 3.202 615 A HA 0.335 4.656 4.320 0.002 0.000 0.258 615 A C 1.293 179.039 177.584 0.271 0.000 1.572 615 A CA -0.412 51.753 52.037 0.214 0.000 1.241 615 A CB -0.619 18.470 19.000 0.149 0.000 1.127 615 A HN 0.941 nan 8.150 nan 0.000 0.648 616 L N 1.172 122.614 121.223 0.365 0.000 2.064 616 L HA -0.187 4.153 4.340 0.002 0.000 0.216 616 L C 2.199 179.140 176.870 0.119 0.000 1.077 616 L CA 2.604 57.595 54.840 0.251 0.000 0.766 616 L CB -1.013 41.250 42.059 0.340 0.000 0.890 616 L HN 0.498 nan 8.230 nan 0.000 0.435 617 G N -0.800 108.095 108.800 0.157 0.000 2.639 617 G HA2 -0.261 3.700 3.960 0.002 0.000 0.216 617 G HA3 -0.261 3.700 3.960 0.002 0.000 0.216 617 G C -0.491 174.499 174.900 0.150 0.000 1.267 617 G CA 1.030 46.227 45.100 0.163 0.000 0.801 617 G HN 0.373 nan 8.290 nan 0.000 0.592 618 P HA -0.189 nan 4.420 nan 0.000 0.217 618 P C 2.289 179.594 177.300 0.008 0.000 1.162 618 P CA 2.469 65.602 63.100 0.055 0.000 0.901 618 P CB -0.267 31.457 31.700 0.040 0.000 0.793 619 A N -0.644 122.119 122.820 -0.096 0.000 1.869 619 A HA -0.250 4.071 4.320 0.002 0.000 0.218 619 A C 2.284 179.741 177.584 -0.212 0.000 1.203 619 A CA 2.049 53.902 52.037 -0.306 0.000 0.638 619 A CB -1.774 16.669 19.000 -0.927 0.000 0.831 619 A HN 0.120 nan 8.150 nan 0.000 0.450 620 L N -1.263 119.881 121.223 -0.131 0.000 2.046 620 L HA -0.266 4.075 4.340 0.002 0.000 0.208 620 L C 2.940 179.856 176.870 0.076 0.000 1.077 620 L CA 1.803 56.634 54.840 -0.015 0.000 0.747 620 L CB -0.720 41.378 42.059 0.065 0.000 0.896 620 L HN 0.529 nan 8.230 nan 0.000 0.432 621 Q N -0.496 119.370 119.800 0.110 0.000 2.181 621 Q HA -0.220 4.121 4.340 0.002 0.000 0.205 621 Q C 2.319 178.441 176.000 0.203 0.000 0.980 621 Q CA 1.720 57.620 55.803 0.161 0.000 0.862 621 Q CB -0.164 28.672 28.738 0.163 0.000 0.905 621 Q HN 0.580 nan 8.270 nan 0.000 0.429 622 A N 0.596 123.497 122.820 0.135 0.000 1.898 622 A HA 0.032 4.353 4.320 0.002 0.000 0.214 622 A C 2.283 179.974 177.584 0.178 0.000 1.183 622 A CA 1.094 53.244 52.037 0.189 0.000 0.622 622 A CB -0.724 18.392 19.000 0.194 0.000 0.824 622 A HN 0.379 nan 8.150 nan 0.000 0.444 623 A N -0.456 122.413 122.820 0.083 0.000 1.903 623 A HA -0.204 4.117 4.320 0.002 0.000 0.219 623 A C 2.052 179.705 177.584 0.114 0.000 1.191 623 A CA 2.010 54.087 52.037 0.065 0.000 0.638 623 A CB -0.912 18.091 19.000 0.004 0.000 0.823 623 A HN 0.824 nan 8.150 nan 0.000 0.451 624 F N 0.743 120.702 119.950 0.015 0.000 2.069 624 F HA -0.175 4.353 4.527 0.002 0.000 0.298 624 F C 2.148 177.964 175.800 0.026 0.000 1.113 624 F CA 2.304 60.310 58.000 0.011 0.000 1.214 624 F CB -0.414 38.582 39.000 -0.007 0.000 0.978 624 F HN 0.153 nan 8.300 nan 0.000 0.474 625 K N -0.104 120.167 120.400 -0.215 0.000 2.152 625 K HA -0.206 4.115 4.320 0.002 0.000 0.206 625 K C 1.976 178.439 176.600 -0.229 0.000 1.048 625 K CA 1.568 57.674 56.287 -0.301 0.000 0.933 625 K CB -0.600 31.896 32.500 -0.006 0.000 0.721 625 K HN 0.301 nan 8.250 nan 0.000 0.447 626 L N 0.861 122.031 121.223 -0.088 0.000 2.093 626 L HA -0.115 4.226 4.340 0.002 0.000 0.208 626 L C 1.994 178.797 176.870 -0.111 0.000 1.085 626 L CA 1.677 56.490 54.840 -0.045 0.000 0.755 626 L CB -0.146 41.965 42.059 0.086 0.000 0.904 626 L HN 0.183 nan 8.230 nan 0.000 0.435 627 M N -2.389 117.116 119.600 -0.157 0.000 2.287 627 M HA -0.105 4.376 4.480 0.002 0.000 0.266 627 M C 2.345 178.506 176.300 -0.231 0.000 1.079 627 M CA 1.050 56.255 55.300 -0.157 0.000 1.146 627 M CB -0.328 32.216 32.600 -0.093 0.000 1.374 627 M HN 0.310 nan 8.290 nan 0.000 0.435 628 S N 1.166 116.589 115.700 -0.462 0.000 2.502 628 S HA -0.201 4.270 4.470 0.002 0.000 0.288 628 S C -0.772 173.700 174.600 -0.212 0.000 1.186 628 S CA 2.304 60.203 58.200 -0.502 0.000 1.182 628 S CB -1.248 61.515 63.200 -0.727 0.000 1.135 628 S HN 0.229 nan 8.310 nan 0.000 0.442 629 P HA -0.033 nan 4.420 nan 0.000 0.216 629 P C 1.599 178.851 177.300 -0.080 0.000 1.150 629 P CA 2.168 65.208 63.100 -0.100 0.000 0.837 629 P CB -0.197 31.448 31.700 -0.092 0.000 0.786 630 T N -6.241 108.258 114.554 -0.092 0.000 2.978 630 T HA 0.460 4.811 4.350 0.002 0.000 0.248 630 T C 0.986 175.642 174.700 -0.072 0.000 1.018 630 T CA 0.338 62.385 62.100 -0.088 0.000 1.026 630 T CB -0.507 68.290 68.868 -0.118 0.000 1.032 630 T HN 0.290 nan 8.240 nan 0.000 0.485 631 G N -0.159 108.605 108.800 -0.059 0.000 2.814 631 G HA2 0.407 4.368 3.960 0.002 0.000 0.677 631 G HA3 0.407 4.368 3.960 0.002 0.000 0.677 631 G C 0.012 174.899 174.900 -0.022 0.000 1.429 631 G CA -0.597 44.501 45.100 -0.004 0.000 0.868 631 G HN 1.783 nan 8.290 nan 0.000 0.553 632 G N -0.766 108.071 108.800 0.062 0.000 2.345 632 G HA2 0.606 4.567 3.960 0.002 0.000 0.285 632 G HA3 0.606 4.567 3.960 0.002 0.000 0.285 632 G C -0.722 174.289 174.900 0.184 0.000 1.297 632 G CA 0.236 45.386 45.100 0.084 0.000 0.875 632 G HN 1.263 nan 8.290 nan 0.000 0.506 633 R N 0.164 120.798 120.500 0.223 0.000 2.265 633 R HA 0.617 4.958 4.340 0.002 0.000 0.328 633 R C -0.221 176.124 176.300 0.075 0.000 0.969 633 R CA -0.695 55.522 56.100 0.195 0.000 0.832 633 R CB 0.820 31.283 30.300 0.272 0.000 1.139 633 R HN 0.581 nan 8.270 nan 0.000 0.457 634 M N 4.527 124.166 119.600 0.064 0.000 2.206 634 M HA 0.213 4.694 4.480 0.002 0.000 0.353 634 M C -1.000 175.339 176.300 0.065 0.000 1.242 634 M CA -0.189 55.122 55.300 0.019 0.000 1.179 634 M CB 0.947 33.572 32.600 0.042 0.000 1.374 634 M HN 0.483 nan 8.290 nan 0.000 0.427 635 S N 4.129 119.850 115.700 0.035 0.000 2.416 635 S HA 0.352 4.823 4.470 0.002 0.000 0.302 635 S C -0.233 174.544 174.600 0.296 0.000 1.120 635 S CA -0.800 57.545 58.200 0.241 0.000 1.067 635 S CB 0.183 63.595 63.200 0.354 0.000 1.057 635 S HN 0.555 nan 8.310 nan 0.000 0.518 636 V N 4.551 124.580 119.914 0.192 0.000 2.427 636 V HA 0.465 4.585 4.120 0.002 0.000 0.286 636 V C -0.615 175.579 176.094 0.168 0.000 1.034 636 V CA -0.596 61.837 62.300 0.221 0.000 0.893 636 V CB 0.646 32.529 31.823 0.100 0.000 0.982 636 V HN 0.788 nan 8.190 nan 0.000 0.452 637 F N 3.775 123.865 119.950 0.233 0.000 2.427 637 F HA 0.666 5.194 4.527 0.001 0.000 0.348 637 F C 0.131 175.981 175.800 0.083 0.000 1.125 637 F CA -0.505 57.562 58.000 0.113 0.000 0.989 637 F CB 1.862 40.877 39.000 0.025 0.000 1.165 637 F HN 0.402 nan 8.300 nan 0.000 0.442 638 Q N 1.009 120.888 119.800 0.131 0.000 2.433 638 Q HA 0.556 4.897 4.340 0.002 0.000 0.279 638 Q C 0.006 176.012 176.000 0.009 0.000 1.105 638 Q CA -0.517 55.357 55.803 0.119 0.000 0.815 638 Q CB 2.190 31.010 28.738 0.137 0.000 1.403 638 Q HN 0.664 nan 8.270 nan 0.000 0.435 639 T N -1.177 113.394 114.554 0.028 0.000 3.087 639 T HA 0.294 4.645 4.350 0.002 0.000 0.283 639 T C -0.081 174.642 174.700 0.039 0.000 0.956 639 T CA 0.194 62.309 62.100 0.025 0.000 0.894 639 T CB 0.043 68.941 68.868 0.049 0.000 1.160 639 T HN 0.657 nan 8.240 nan 0.000 0.532 640 Q N 0.080 119.900 119.800 0.034 0.000 2.737 640 Q HA 0.587 4.928 4.340 0.002 0.000 0.307 640 Q C -1.617 174.390 176.000 0.013 0.000 0.905 640 Q CA -1.248 54.572 55.803 0.028 0.000 0.753 640 Q CB 0.939 29.696 28.738 0.032 0.000 1.463 640 Q HN 0.201 nan 8.270 nan 0.000 0.455 641 L N 1.648 122.875 121.223 0.007 0.000 2.416 641 L HA 0.367 4.708 4.340 0.002 0.000 0.272 641 L C -2.192 174.702 176.870 0.040 0.000 1.161 641 L CA -1.717 53.118 54.840 -0.008 0.000 0.845 641 L CB 0.959 43.026 42.059 0.012 0.000 1.119 641 L HN 0.534 nan 8.230 nan 0.000 0.464 642 P HA 0.119 nan 4.420 nan 0.000 0.276 642 P C -0.244 177.106 177.300 0.083 0.000 1.264 642 P CA -0.055 63.110 63.100 0.108 0.000 0.769 642 P CB 0.759 32.561 31.700 0.170 0.000 0.840 643 T N 0.299 114.898 114.554 0.076 0.000 3.043 643 T HA 0.323 4.674 4.350 0.002 0.000 0.272 643 T C 0.091 174.818 174.700 0.044 0.000 0.990 643 T CA -0.090 62.043 62.100 0.057 0.000 0.897 643 T CB 0.008 68.910 68.868 0.056 0.000 1.111 643 T HN 0.099 nan 8.240 nan 0.000 0.529 644 L N 1.544 122.797 121.223 0.050 0.000 2.370 644 L HA 0.780 5.121 4.340 0.002 0.000 0.266 644 L C 0.617 177.493 176.870 0.010 0.000 1.002 644 L CA 0.862 55.725 54.840 0.038 0.000 0.818 644 L CB 1.300 43.397 42.059 0.063 0.000 1.325 644 L HN 0.500 nan 8.230 nan 0.000 0.418 645 G N 2.084 110.877 108.800 -0.011 0.000 2.645 645 G HA2 -0.112 3.849 3.960 0.002 0.000 0.246 645 G HA3 -0.112 3.849 3.960 0.002 0.000 0.246 645 G C -0.250 174.563 174.900 -0.144 0.000 1.322 645 G CA -0.246 44.824 45.100 -0.051 0.000 0.898 645 G HN 1.511 nan 8.290 nan 0.000 0.573 646 V N -1.530 118.237 119.914 -0.244 0.000 3.185 646 V HA 0.667 4.788 4.120 0.002 0.000 0.305 646 V C 1.975 177.573 176.094 -0.827 0.000 1.090 646 V CA 0.978 62.972 62.300 -0.509 0.000 1.107 646 V CB 0.549 32.020 31.823 -0.588 0.000 1.061 646 V HN 3.033 nan 8.190 nan 0.000 0.480 647 G N 0.780 108.866 108.800 -1.190 0.000 2.176 647 G HA2 -0.054 3.907 3.960 0.002 0.000 0.253 647 G HA3 -0.054 3.907 3.960 0.002 0.000 0.253 647 G C 0.510 175.279 174.900 -0.218 0.000 0.979 647 G CA 0.196 44.649 45.100 -1.078 0.000 0.641 647 G HN 2.138 nan 8.290 nan 0.000 0.530 648 A N 0.192 122.903 122.820 -0.181 0.000 2.520 648 A HA 0.621 4.942 4.320 0.002 0.000 0.245 648 A C 0.427 178.030 177.584 0.032 0.000 1.072 648 A CA 0.540 52.562 52.037 -0.025 0.000 0.761 648 A CB 0.151 19.127 19.000 -0.039 0.000 1.004 648 A HN 1.037 nan 8.150 nan 0.000 0.499 649 L N 2.619 123.891 121.223 0.080 0.000 2.342 649 L HA 0.469 4.810 4.340 0.002 0.000 0.271 649 L C 0.086 177.012 176.870 0.094 0.000 1.008 649 L CA -1.133 53.766 54.840 0.098 0.000 0.818 649 L CB 1.573 43.698 42.059 0.109 0.000 1.296 649 L HN 0.497 nan 8.230 nan 0.000 0.427 650 K N 1.652 122.116 120.400 0.106 0.000 2.185 650 K HA 0.446 4.766 4.320 0.002 0.000 0.271 650 K C -2.301 174.398 176.600 0.164 0.000 1.013 650 K CA -1.764 54.587 56.287 0.105 0.000 0.943 650 K CB 0.738 33.287 32.500 0.081 0.000 0.998 650 K HN 0.217 nan 8.250 nan 0.000 0.468 651 P HA 0.227 nan 4.420 nan 0.000 0.271 651 P C -0.526 176.847 177.300 0.122 0.000 1.244 651 P CA -0.243 62.977 63.100 0.200 0.000 0.793 651 P CB 0.621 32.395 31.700 0.124 0.000 0.984 652 R N -0.077 120.414 120.500 -0.016 0.000 2.774 652 R HA 0.306 4.647 4.340 0.002 0.000 0.272 652 R C -0.937 175.170 176.300 -0.322 0.000 1.000 652 R CA -0.716 55.208 56.100 -0.294 0.000 0.906 652 R CB 1.737 31.626 30.300 -0.685 0.000 1.227 652 R HN 0.442 nan 8.270 nan 0.000 0.468 653 E N 1.980 122.040 120.200 -0.233 0.000 2.167 653 E HA 0.067 4.418 4.350 0.002 0.000 0.284 653 E C -0.741 175.750 176.600 -0.182 0.000 1.016 653 E CA -0.487 55.817 56.400 -0.159 0.000 0.817 653 E CB 0.953 30.598 29.700 -0.092 0.000 1.080 653 E HN 0.290 nan 8.360 nan 0.000 0.397 654 E N 4.261 124.376 120.200 -0.142 0.000 2.415 654 E HA 0.092 4.443 4.350 0.002 0.000 0.263 654 E C -2.095 174.466 176.600 -0.065 0.000 0.995 654 E CA -1.349 54.990 56.400 -0.100 0.000 0.915 654 E CB 0.201 29.879 29.700 -0.036 0.000 0.951 654 E HN 0.371 nan 8.360 nan 0.000 0.449 655 P HA 0.100 nan 4.420 nan 0.000 0.274 655 P C -0.683 176.608 177.300 -0.015 0.000 1.246 655 P CA -0.360 62.716 63.100 -0.041 0.000 0.795 655 P CB 0.637 32.314 31.700 -0.038 0.000 1.006 656 N N -1.051 117.634 118.700 -0.025 0.000 2.545 656 N HA 0.176 4.917 4.740 0.002 0.000 0.289 656 N C 0.910 176.411 175.510 -0.016 0.000 1.279 656 N CA -0.751 52.303 53.050 0.006 0.000 0.824 656 N CB -0.061 38.406 38.487 -0.034 0.000 1.395 656 N HN 0.446 nan 8.380 nan 0.000 0.526 657 H N -1.381 117.685 119.070 -0.007 0.000 2.557 657 H HA 0.039 4.595 4.556 0.001 0.000 0.287 657 H C 1.151 176.475 175.328 -0.006 0.000 1.043 657 H CA 0.957 57.001 56.048 -0.006 0.000 1.226 657 H CB 0.096 29.855 29.762 -0.004 0.000 1.361 657 H HN 0.598 nan 8.280 nan 0.000 0.592 658 R N 1.703 121.942 120.500 -0.435 0.000 2.055 658 R HA -0.007 4.334 4.340 0.002 0.000 0.221 658 R C 0.794 177.014 176.300 -0.133 0.000 1.154 658 R CA 0.818 56.737 56.100 -0.302 0.000 0.975 658 R CB 0.107 30.204 30.300 -0.338 0.000 0.869 658 R HN 0.333 nan 8.270 nan 0.000 0.437 659 S N 0.874 116.509 115.700 -0.108 0.000 2.561 659 S HA -0.025 4.446 4.470 0.002 0.000 0.294 659 S C 0.564 175.140 174.600 -0.039 0.000 1.294 659 S CA -0.207 57.955 58.200 -0.062 0.000 1.055 659 S CB 0.922 64.089 63.200 -0.054 0.000 0.819 659 S HN 0.444 nan 8.310 nan 0.000 0.503 660 S N 2.242 117.926 115.700 -0.027 0.000 2.401 660 S HA 0.525 4.996 4.470 0.002 0.000 0.249 660 S C 0.751 175.347 174.600 -0.006 0.000 1.237 660 S CA -0.413 57.779 58.200 -0.013 0.000 1.000 660 S CB -0.344 62.850 63.200 -0.009 0.000 1.013 660 S HN 1.522 nan 8.310 nan 0.000 0.494 661 A N 0.419 123.240 122.820 0.002 0.000 3.163 661 A HA 0.411 4.732 4.320 0.002 0.000 0.283 661 A C 0.353 177.942 177.584 0.008 0.000 1.412 661 A CA -0.651 51.391 52.037 0.009 0.000 1.053 661 A CB -0.794 18.216 19.000 0.017 0.000 1.082 661 A HN 0.585 nan 8.150 nan 0.000 0.639 667 T N 1.880 116.455 114.554 0.035 0.000 2.701 667 T HA 0.432 4.783 4.350 0.002 0.000 0.303 667 T C -2.568 172.166 174.700 0.057 0.000 1.030 667 T CA -0.756 61.370 62.100 0.044 0.000 1.010 667 T CB 0.173 69.070 68.868 0.049 0.000 1.007 667 T HN -0.011 nan 8.240 nan 0.000 0.532 668 P HA 0.385 nan 4.420 nan 0.000 0.282 668 P C 0.321 177.679 177.300 0.096 0.000 1.249 668 P CA -0.615 62.537 63.100 0.087 0.000 0.806 668 P CB 0.935 32.698 31.700 0.104 0.000 0.984 669 S N -0.619 115.149 115.700 0.113 0.000 2.406 669 S HA -0.002 4.469 4.470 0.002 0.000 0.228 669 S C 0.962 175.625 174.600 0.105 0.000 1.020 669 S CA 1.128 59.394 58.200 0.110 0.000 0.965 669 S CB -0.205 63.071 63.200 0.126 0.000 0.798 669 S HN 0.675 nan 8.310 nan 0.000 0.488 670 T N 0.442 115.076 114.554 0.133 0.000 2.816 670 T HA 0.301 4.652 4.350 0.002 0.000 0.299 670 T C -0.900 173.887 174.700 0.146 0.000 1.230 670 T CA -0.542 61.632 62.100 0.124 0.000 1.007 670 T CB 1.575 70.515 68.868 0.120 0.000 1.289 670 T HN 0.051 nan 8.240 nan 0.000 0.508 671 D N 1.192 121.659 120.400 0.110 0.000 2.346 671 D HA -0.001 4.640 4.640 0.002 0.000 0.206 671 D C 1.747 178.085 176.300 0.065 0.000 1.001 671 D CA 0.190 54.240 54.000 0.083 0.000 0.871 671 D CB -0.483 40.336 40.800 0.032 0.000 0.943 671 D HN 0.443 nan 8.370 nan 0.000 0.518 672 F N 2.016 121.909 119.950 -0.095 0.000 2.064 672 F HA -0.407 4.121 4.527 0.001 0.000 0.292 672 F C 1.796 177.451 175.800 -0.242 0.000 1.107 672 F CA 1.976 59.837 58.000 -0.232 0.000 1.243 672 F CB -0.764 37.986 39.000 -0.416 0.000 0.949 672 F HN -0.124 nan 8.300 nan 0.000 0.506 673 Y N 0.261 120.527 120.300 -0.057 0.000 2.333 673 Y HA -0.190 4.361 4.550 0.002 0.000 0.290 673 Y C 2.553 178.354 175.900 -0.165 0.000 1.144 673 Y CA 1.767 59.767 58.100 -0.167 0.000 1.228 673 Y CB -0.823 37.660 38.460 0.039 0.000 0.985 673 Y HN 0.210 nan 8.280 nan 0.000 0.542 674 K N 0.836 121.263 120.400 0.045 0.000 2.007 674 K HA -0.157 4.164 4.320 0.002 0.000 0.206 674 K C 1.982 178.482 176.600 -0.165 0.000 1.047 674 K CA 1.223 57.533 56.287 0.038 0.000 0.937 674 K CB -0.101 32.428 32.500 0.049 0.000 0.718 674 K HN 0.150 nan 8.250 nan 0.000 0.438 675 K N 0.725 120.986 120.400 -0.231 0.000 2.044 675 K HA -0.193 4.128 4.320 0.002 0.000 0.210 675 K C 2.157 178.529 176.600 -0.380 0.000 1.049 675 K CA 1.576 57.686 56.287 -0.294 0.000 0.927 675 K CB -0.346 32.001 32.500 -0.256 0.000 0.713 675 K HN 0.162 nan 8.250 nan 0.000 0.443 676 L N 0.931 121.845 121.223 -0.514 0.000 2.127 676 L HA -0.124 4.217 4.340 0.002 0.000 0.211 676 L C 2.082 178.712 176.870 -0.399 0.000 1.089 676 L CA 1.837 56.343 54.840 -0.557 0.000 0.757 676 L CB -0.697 40.925 42.059 -0.729 0.000 0.899 676 L HN 0.110 nan 8.230 nan 0.000 0.434 677 A N -0.054 122.608 122.820 -0.263 0.000 1.877 677 A HA -0.143 4.178 4.320 0.002 0.000 0.216 677 A C 2.246 179.706 177.584 -0.206 0.000 1.186 677 A CA 1.941 53.887 52.037 -0.152 0.000 0.620 677 A CB -0.915 18.080 19.000 -0.007 0.000 0.822 677 A HN 0.517 nan 8.150 nan 0.000 0.443 678 L N -0.561 120.475 121.223 -0.313 0.000 2.079 678 L HA -0.245 4.095 4.340 0.002 0.000 0.210 678 L C 2.134 178.819 176.870 -0.309 0.000 1.081 678 L CA 1.862 56.446 54.840 -0.427 0.000 0.752 678 L CB -1.017 40.707 42.059 -0.558 0.000 0.896 678 L HN 0.356 nan 8.230 nan 0.000 0.433 679 D N -0.345 119.849 120.400 -0.343 0.000 2.097 679 D HA -0.173 4.468 4.640 0.002 0.000 0.195 679 D C 2.269 178.421 176.300 -0.247 0.000 0.989 679 D CA 1.475 55.245 54.000 -0.383 0.000 0.827 679 D CB -0.249 40.139 40.800 -0.687 0.000 0.966 679 D HN 0.315 nan 8.370 nan 0.000 0.456 680 C N -0.177 118.983 119.300 -0.234 0.000 2.432 680 C HA -0.130 4.331 4.460 0.002 0.000 0.277 680 C C 2.927 177.984 174.990 0.112 0.000 1.249 680 C CA 0.977 60.058 59.018 0.104 0.000 1.725 680 C CB -1.044 26.739 27.740 0.071 0.000 2.028 680 C HN 0.367 nan 8.230 nan 0.000 0.477 681 S N 0.872 116.583 115.700 0.017 0.000 2.372 681 S HA -0.143 4.328 4.470 0.002 0.000 0.227 681 S C 1.902 176.551 174.600 0.080 0.000 1.044 681 S CA 2.065 60.295 58.200 0.050 0.000 1.050 681 S CB -0.670 62.519 63.200 -0.017 0.000 0.901 681 S HN 0.679 nan 8.310 nan 0.000 0.447 682 G N -0.291 108.536 108.800 0.046 0.000 2.708 682 G HA2 -0.026 3.935 3.960 0.002 0.000 0.210 682 G HA3 -0.026 3.935 3.960 0.002 0.000 0.210 682 G C 1.127 176.092 174.900 0.109 0.000 1.141 682 G CA 0.267 45.412 45.100 0.075 0.000 0.788 682 G HN 0.542 nan 8.290 nan 0.000 0.531 683 Q N -0.448 119.439 119.800 0.145 0.000 2.139 683 Q HA 0.100 4.441 4.340 0.002 0.000 0.219 683 Q C 0.306 176.373 176.000 0.112 0.000 0.805 683 Q CA -0.123 55.763 55.803 0.140 0.000 1.024 683 Q CB 0.779 29.645 28.738 0.215 0.000 1.163 683 Q HN 0.354 nan 8.270 nan 0.000 0.485 684 Q N -0.691 119.180 119.800 0.119 0.000 2.475 684 Q HA -0.135 4.206 4.340 0.002 0.000 0.280 684 Q C -0.564 175.516 176.000 0.133 0.000 1.234 684 Q CA 0.455 56.331 55.803 0.122 0.000 0.873 684 Q CB -2.641 26.166 28.738 0.115 0.000 1.256 684 Q HN 0.137 nan 8.270 nan 0.000 0.475 685 V N -0.124 119.874 119.914 0.140 0.000 2.435 685 V HA 0.845 4.966 4.120 0.002 0.000 0.290 685 V C 0.334 176.504 176.094 0.128 0.000 1.030 685 V CA -0.157 62.228 62.300 0.142 0.000 0.881 685 V CB 1.949 33.885 31.823 0.189 0.000 0.983 685 V HN 0.385 nan 8.190 nan 0.000 0.445 686 A N 4.518 127.410 122.820 0.119 0.000 2.365 686 A HA 0.894 5.215 4.320 0.002 0.000 0.318 686 A C -1.060 176.580 177.584 0.092 0.000 1.091 686 A CA -0.567 51.529 52.037 0.099 0.000 0.763 686 A CB 1.867 20.924 19.000 0.096 0.000 1.248 686 A HN 0.648 nan 8.150 nan 0.000 0.442 687 V N 2.679 122.634 119.914 0.069 0.000 2.444 687 V HA 0.364 4.485 4.120 0.002 0.000 0.294 687 V C -1.078 175.040 176.094 0.039 0.000 1.022 687 V CA -0.739 61.596 62.300 0.057 0.000 0.850 687 V CB 1.637 33.481 31.823 0.035 0.000 0.992 687 V HN 0.862 nan 8.190 nan 0.000 0.426 688 D N 4.184 124.621 120.400 0.062 0.000 2.303 688 D HA 0.401 5.042 4.640 0.002 0.000 0.236 688 D C -0.642 175.553 176.300 -0.175 0.000 1.068 688 D CA -0.385 53.609 54.000 -0.009 0.000 0.830 688 D CB 2.710 43.603 40.800 0.155 0.000 1.109 688 D HN 0.295 nan 8.370 nan 0.000 0.496 689 L N 3.365 124.443 121.223 -0.242 0.000 2.264 689 L HA 0.394 4.735 4.340 0.002 0.000 0.289 689 L C -1.332 175.294 176.870 -0.407 0.000 1.044 689 L CA -0.321 54.376 54.840 -0.239 0.000 0.807 689 L CB 0.206 42.174 42.059 -0.151 0.000 1.192 689 L HN 0.158 nan 8.230 nan 0.000 0.425 690 F N 6.300 126.089 119.950 -0.269 0.000 2.347 690 F HA 0.437 4.965 4.527 0.001 0.000 0.366 690 F C -0.341 175.375 175.800 -0.139 0.000 1.107 690 F CA -0.576 57.263 58.000 -0.268 0.000 1.058 690 F CB 1.388 39.899 39.000 -0.814 0.000 1.236 690 F HN 0.266 nan 8.300 nan 0.000 0.456 691 L N 5.176 126.480 121.223 0.135 0.000 2.296 691 L HA 0.550 4.891 4.340 0.002 0.000 0.286 691 L C -0.756 176.186 176.870 0.120 0.000 1.023 691 L CA -0.465 54.447 54.840 0.121 0.000 0.812 691 L CB 1.144 43.317 42.059 0.189 0.000 1.223 691 L HN 0.482 nan 8.230 nan 0.000 0.421 692 L N 4.316 125.549 121.223 0.015 0.000 3.186 692 L HA 0.375 4.716 4.340 0.002 0.000 0.292 692 L C 0.421 177.311 176.870 0.035 0.000 1.303 692 L CA -0.137 54.703 54.840 -0.001 0.000 0.940 692 L CB 0.063 42.014 42.059 -0.180 0.000 1.358 692 L HN 0.586 nan 8.230 nan 0.000 0.581 693 S N -1.496 114.224 115.700 0.033 0.000 2.584 693 S HA 0.571 5.042 4.470 0.002 0.000 0.273 693 S C 1.187 175.818 174.600 0.052 0.000 1.311 693 S CA 0.030 58.267 58.200 0.062 0.000 1.034 693 S CB 1.736 64.990 63.200 0.091 0.000 0.939 693 S HN 0.337 nan 8.310 nan 0.000 0.513 694 G N 0.706 109.546 108.800 0.066 0.000 2.921 694 G HA2 0.258 4.219 3.960 0.002 0.000 0.213 694 G HA3 0.258 4.219 3.960 0.002 0.000 0.213 694 G C 0.292 175.234 174.900 0.071 0.000 1.143 694 G CA -0.138 44.998 45.100 0.059 0.000 0.764 694 G HN 0.679 nan 8.290 nan 0.000 0.542 695 Q N -1.298 118.555 119.800 0.089 0.000 2.528 695 Q HA 0.350 4.691 4.340 0.002 0.000 0.289 695 Q C -1.288 174.807 176.000 0.159 0.000 1.091 695 Q CA -1.203 54.670 55.803 0.117 0.000 0.797 695 Q CB 2.033 30.832 28.738 0.102 0.000 1.466 695 Q HN 0.150 nan 8.270 nan 0.000 0.436 696 Y N 0.461 120.791 120.300 0.050 0.000 3.073 696 Y HA -0.218 4.333 4.550 0.002 0.000 0.344 696 Y C 0.145 176.070 175.900 0.043 0.000 1.277 696 Y CA 1.606 59.731 58.100 0.042 0.000 1.534 696 Y CB 0.413 38.889 38.460 0.027 0.000 1.273 696 Y HN 0.592 nan 8.280 nan 0.000 0.633 697 S N 2.268 117.566 115.700 -0.670 0.000 2.800 697 S HA 0.049 4.520 4.470 0.002 0.000 0.266 697 S C -0.664 173.524 174.600 -0.688 0.000 1.029 697 S CA 0.211 58.120 58.200 -0.484 0.000 1.302 697 S CB 0.102 63.188 63.200 -0.189 0.000 1.212 697 S HN 0.844 nan 8.310 nan 0.000 0.683 698 D N 1.154 120.756 120.400 -1.330 0.000 2.737 698 D HA -0.133 4.507 4.640 0.002 0.000 0.243 698 D C 0.471 176.562 176.300 -0.347 0.000 1.109 698 D CA 0.189 53.738 54.000 -0.752 0.000 0.702 698 D CB -1.277 39.300 40.800 -0.371 0.000 1.068 698 D HN 0.397 nan 8.370 nan 0.000 0.432 699 L N 0.892 121.928 121.223 -0.312 0.000 2.141 699 L HA 0.062 4.403 4.340 0.002 0.000 0.209 699 L C 2.584 179.353 176.870 -0.168 0.000 1.094 699 L CA 2.511 57.208 54.840 -0.239 0.000 0.763 699 L CB -0.507 41.393 42.059 -0.264 0.000 0.908 699 L HN 0.297 nan 8.230 nan 0.000 0.437 700 A N -1.765 120.992 122.820 -0.104 0.000 2.148 700 A HA -0.204 4.117 4.320 0.002 0.000 0.222 700 A C 2.276 179.839 177.584 -0.035 0.000 1.161 700 A CA 2.191 54.199 52.037 -0.049 0.000 0.662 700 A CB -0.507 18.506 19.000 0.021 0.000 0.799 700 A HN 0.572 nan 8.150 nan 0.000 0.466 701 S N -1.803 113.865 115.700 -0.053 0.000 2.613 701 S HA 0.254 4.725 4.470 0.002 0.000 0.235 701 S C 1.554 176.080 174.600 -0.124 0.000 1.073 701 S CA 0.062 58.261 58.200 -0.002 0.000 0.899 701 S CB -0.133 63.119 63.200 0.087 0.000 0.818 701 S HN 0.436 nan 8.310 nan 0.000 0.484 702 L N 1.769 122.820 121.223 -0.288 0.000 2.027 702 L HA -0.022 4.319 4.340 0.002 0.000 0.206 702 L C 2.739 179.430 176.870 -0.298 0.000 1.074 702 L CA 1.363 55.907 54.840 -0.494 0.000 0.745 702 L CB -1.091 40.721 42.059 -0.412 0.000 0.898 702 L HN 0.463 nan 8.230 nan 0.000 0.433 703 G N -0.465 108.208 108.800 -0.212 0.000 2.547 703 G HA2 -0.340 3.621 3.960 0.002 0.000 0.221 703 G HA3 -0.340 3.621 3.960 0.002 0.000 0.221 703 G C 1.577 176.379 174.900 -0.163 0.000 1.140 703 G CA 1.179 46.168 45.100 -0.184 0.000 0.760 703 G HN 0.463 nan 8.290 nan 0.000 0.583 704 C N -0.103 119.131 119.300 -0.110 0.000 2.397 704 C HA -0.119 4.342 4.460 0.002 0.000 0.286 704 C C 2.626 177.614 174.990 -0.002 0.000 1.308 704 C CA 0.621 59.612 59.018 -0.045 0.000 1.805 704 C CB -1.076 26.736 27.740 0.120 0.000 1.952 704 C HN 0.528 nan 8.230 nan 0.000 0.518 705 I N 0.947 121.506 120.570 -0.018 0.000 2.286 705 I HA -0.138 4.033 4.170 0.002 0.000 0.248 705 I C 2.305 178.404 176.117 -0.031 0.000 1.115 705 I CA 1.847 63.152 61.300 0.008 0.000 1.392 705 I CB -0.207 37.794 38.000 0.001 0.000 1.065 705 I HN 0.165 nan 8.210 nan 0.000 0.418 706 S N -0.159 115.488 115.700 -0.087 0.000 2.470 706 S HA 0.099 4.569 4.470 0.002 0.000 0.222 706 S C 1.950 176.457 174.600 -0.154 0.000 1.024 706 S CA 0.013 58.155 58.200 -0.097 0.000 0.931 706 S CB -0.081 63.050 63.200 -0.116 0.000 0.791 706 S HN 0.393 nan 8.310 nan 0.000 0.513 707 R N 0.299 120.643 120.500 -0.260 0.000 2.091 707 R HA -0.087 4.254 4.340 0.002 0.000 0.238 707 R C 1.141 177.161 176.300 -0.467 0.000 1.136 707 R CA 1.457 57.286 56.100 -0.452 0.000 0.959 707 R CB -0.323 29.567 30.300 -0.682 0.000 0.856 707 R HN 0.436 nan 8.270 nan 0.000 0.437 708 Y N -0.487 119.771 120.300 -0.070 0.000 2.457 708 Y HA 0.070 4.621 4.550 0.002 0.000 0.263 708 Y C 1.663 177.564 175.900 0.002 0.000 1.164 708 Y CA 0.201 58.285 58.100 -0.026 0.000 1.274 708 Y CB 0.442 38.863 38.460 -0.065 0.000 1.097 708 Y HN 0.028 nan 8.280 nan 0.000 0.523 709 S N -0.871 114.884 115.700 0.092 0.000 2.602 709 S HA 0.536 5.007 4.470 0.002 0.000 0.240 709 S C 1.096 175.746 174.600 0.084 0.000 0.992 709 S CA -0.091 58.160 58.200 0.086 0.000 0.971 709 S CB -0.174 63.056 63.200 0.050 0.000 0.855 709 S HN 0.323 nan 8.310 nan 0.000 0.481 710 A N -0.130 122.731 122.820 0.069 0.000 2.610 710 A HA 0.086 4.407 4.320 0.002 0.000 0.299 710 A C 0.856 178.463 177.584 0.039 0.000 1.487 710 A CA 0.742 52.819 52.037 0.067 0.000 0.743 710 A CB -1.877 17.216 19.000 0.155 0.000 1.070 710 A HN 1.269 nan 8.150 nan 0.000 0.439 711 G N -1.063 107.736 108.800 -0.001 0.000 2.990 711 G HA2 0.942 4.903 3.960 0.002 0.000 0.208 711 G HA3 0.942 4.903 3.960 0.002 0.000 0.208 711 G C -0.136 174.754 174.900 -0.017 0.000 1.334 711 G CA 0.250 45.365 45.100 0.024 0.000 1.024 711 G HN 1.961 nan 8.290 nan 0.000 0.574 712 S N -1.846 113.859 115.700 0.008 0.000 2.543 712 S HA 0.513 4.984 4.470 0.002 0.000 0.273 712 S C -0.972 173.564 174.600 -0.107 0.000 1.152 712 S CA -0.575 57.581 58.200 -0.073 0.000 0.910 712 S CB 1.196 64.379 63.200 -0.028 0.000 1.105 712 S HN 1.610 nan 8.310 nan 0.000 0.465 713 V N 2.640 122.422 119.914 -0.221 0.000 2.481 713 V HA 0.716 4.837 4.120 0.002 0.000 0.286 713 V C -1.782 174.156 176.094 -0.260 0.000 1.042 713 V CA -0.440 61.746 62.300 -0.189 0.000 0.928 713 V CB 0.617 32.362 31.823 -0.129 0.000 0.986 713 V HN 0.884 nan 8.190 nan 0.000 0.462 714 Y N 5.760 125.832 120.300 -0.380 0.000 2.341 714 Y HA 0.580 5.131 4.550 0.002 0.000 0.338 714 Y C -0.624 175.019 175.900 -0.427 0.000 0.965 714 Y CA -0.520 57.366 58.100 -0.356 0.000 1.108 714 Y CB 1.866 40.073 38.460 -0.421 0.000 1.180 714 Y HN 0.784 nan 8.280 nan 0.000 0.458 715 Y N 3.274 123.012 120.300 -0.936 0.000 2.409 715 Y HA 0.542 5.093 4.550 0.001 0.000 0.339 715 Y C -1.727 173.448 175.900 -1.207 0.000 1.033 715 Y CA -2.161 55.303 58.100 -1.060 0.000 1.094 715 Y CB 1.003 38.483 38.460 -1.633 0.000 1.210 715 Y HN 0.523 nan 8.280 nan 0.000 0.456 716 Y N 6.083 125.942 120.300 -0.736 0.000 2.475 716 Y HA 0.305 4.856 4.550 0.001 0.000 0.343 716 Y C -2.559 172.932 175.900 -0.683 0.000 1.068 716 Y CA -2.619 55.181 58.100 -0.501 0.000 1.307 716 Y CB 0.966 39.349 38.460 -0.128 0.000 1.097 716 Y HN 0.431 nan 8.280 nan 0.000 0.530 717 P HA -0.016 nan 4.420 nan 0.000 0.267 717 P C 0.052 177.257 177.300 -0.158 0.000 1.209 717 P CA 0.631 63.425 63.100 -0.509 0.000 0.763 717 P CB 1.246 32.749 31.700 -0.328 0.000 0.816 718 S N 0.880 116.536 115.700 -0.073 0.000 3.524 718 S HA -0.246 4.225 4.470 0.002 0.000 0.377 718 S C 0.061 174.689 174.600 0.047 0.000 0.949 718 S CA 0.316 58.522 58.200 0.011 0.000 1.264 718 S CB -2.311 60.882 63.200 -0.012 0.000 0.918 718 S HN 0.596 nan 8.310 nan 0.000 0.517 719 Y N 2.827 123.127 120.300 0.000 0.000 2.465 719 Y HA 0.411 4.962 4.550 0.002 0.000 0.331 719 Y C 0.472 176.437 175.900 0.109 0.000 1.102 719 Y CA 0.292 58.409 58.100 0.028 0.000 1.358 719 Y CB 0.497 38.952 38.460 -0.010 0.000 1.213 719 Y HN 0.522 nan 8.280 nan 0.000 0.525 720 H N 6.806 125.507 119.070 -0.615 0.000 3.083 720 H HA 0.097 4.654 4.556 0.002 0.000 0.339 720 H C 0.582 175.625 175.328 -0.475 0.000 1.020 720 H CA -0.475 55.375 56.048 -0.331 0.000 1.360 720 H CB 0.796 30.471 29.762 -0.145 0.000 1.811 720 H HN 1.014 nan 8.280 nan 0.000 0.493 721 H N 2.485 121.253 119.070 -0.504 0.000 2.460 721 H HA -0.126 4.431 4.556 0.002 0.000 0.297 721 H C 0.419 175.654 175.328 -0.155 0.000 1.103 721 H CA 1.583 57.451 56.048 -0.299 0.000 1.292 721 H CB 0.391 30.010 29.762 -0.239 0.000 1.376 721 H HN 0.570 nan 8.280 nan 0.000 0.531 722 Q N -0.798 118.673 119.800 -0.548 0.000 2.548 722 Q HA 0.038 4.379 4.340 0.002 0.000 0.230 722 Q C 1.650 177.487 176.000 -0.272 0.000 0.899 722 Q CA -0.167 55.378 55.803 -0.431 0.000 0.936 722 Q CB 0.675 29.012 28.738 -0.669 0.000 1.114 722 Q HN 0.511 nan 8.270 nan 0.000 0.606 723 H N 0.049 119.024 119.070 -0.158 0.000 2.556 723 H HA 0.120 4.677 4.556 0.002 0.000 0.268 723 H C 0.300 175.508 175.328 -0.200 0.000 0.996 723 H CA 0.662 56.536 56.048 -0.289 0.000 1.157 723 H CB 0.313 29.737 29.762 -0.563 0.000 1.355 723 H HN 0.094 nan 8.280 nan 0.000 0.597 724 N N 0.198 118.846 118.700 -0.086 0.000 2.666 724 N HA 0.037 4.778 4.740 0.002 0.000 0.253 724 N C -2.195 173.213 175.510 -0.169 0.000 1.621 724 N CA -1.146 51.825 53.050 -0.132 0.000 0.785 724 N CB 0.703 39.104 38.487 -0.143 0.000 1.332 724 N HN -0.014 nan 8.380 nan 0.000 0.514 725 P HA -0.146 nan 4.420 nan 0.000 0.223 725 P C 1.230 178.467 177.300 -0.105 0.000 1.140 725 P CA 0.776 63.804 63.100 -0.120 0.000 0.783 725 P CB 0.708 32.350 31.700 -0.097 0.000 0.759 726 V N 0.310 120.149 119.914 -0.126 0.000 2.283 726 V HA -0.160 3.960 4.120 0.002 0.000 0.239 726 V C 2.860 178.938 176.094 -0.026 0.000 1.035 726 V CA 1.494 63.732 62.300 -0.103 0.000 1.018 726 V CB -1.247 30.447 31.823 -0.215 0.000 0.658 726 V HN 0.023 nan 8.190 nan 0.000 0.459 727 Q N 0.128 119.913 119.800 -0.025 0.000 2.173 727 Q HA -0.193 4.148 4.340 0.002 0.000 0.208 727 Q C 2.355 178.442 176.000 0.145 0.000 0.989 727 Q CA 1.746 57.611 55.803 0.103 0.000 0.872 727 Q CB -0.941 27.860 28.738 0.106 0.000 0.909 727 Q HN 0.555 nan 8.270 nan 0.000 0.420 728 V N 0.913 120.816 119.914 -0.018 0.000 2.252 728 V HA -0.334 3.787 4.120 0.002 0.000 0.249 728 V C 2.493 178.637 176.094 0.083 0.000 1.056 728 V CA 2.430 64.762 62.300 0.053 0.000 1.022 728 V CB -0.654 31.112 31.823 -0.094 0.000 0.641 728 V HN 0.423 nan 8.190 nan 0.000 0.445 729 Q N 0.019 119.839 119.800 0.032 0.000 2.046 729 Q HA -0.220 4.121 4.340 0.002 0.000 0.200 729 Q C 2.369 178.401 176.000 0.053 0.000 0.975 729 Q CA 1.978 57.791 55.803 0.015 0.000 0.836 729 Q CB -0.258 28.477 28.738 -0.004 0.000 0.896 729 Q HN 0.582 nan 8.270 nan 0.000 0.428 730 K N -0.041 120.426 120.400 0.113 0.000 2.052 730 K HA -0.259 4.062 4.320 0.002 0.000 0.215 730 K C 2.063 178.801 176.600 0.231 0.000 1.053 730 K CA 1.779 58.178 56.287 0.187 0.000 0.934 730 K CB -0.391 32.260 32.500 0.252 0.000 0.717 730 K HN 0.303 nan 8.250 nan 0.000 0.450 731 L N 1.673 122.999 121.223 0.172 0.000 1.989 731 L HA -0.238 4.102 4.340 0.002 0.000 0.211 731 L C 2.572 179.454 176.870 0.020 0.000 1.071 731 L CA 2.104 56.920 54.840 -0.039 0.000 0.749 731 L CB -0.906 40.895 42.059 -0.431 0.000 0.890 731 L HN 0.313 nan 8.230 nan 0.000 0.431 732 Q N -0.100 119.705 119.800 0.009 0.000 2.082 732 Q HA -0.267 4.074 4.340 0.002 0.000 0.211 732 Q C 2.070 178.082 176.000 0.020 0.000 1.002 732 Q CA 2.237 58.034 55.803 -0.010 0.000 0.868 732 Q CB -0.210 28.508 28.738 -0.032 0.000 0.931 732 Q HN 0.400 nan 8.270 nan 0.000 0.414 733 K N 0.108 120.530 120.400 0.036 0.000 2.167 733 K HA -0.054 4.267 4.320 0.002 0.000 0.203 733 K C 1.920 178.684 176.600 0.274 0.000 1.052 733 K CA 1.257 57.586 56.287 0.070 0.000 0.956 733 K CB 0.022 32.498 32.500 -0.041 0.000 0.735 733 K HN 0.509 nan 8.250 nan 0.000 0.451 734 E N 0.629 121.046 120.200 0.361 0.000 2.299 734 E HA 0.003 4.354 4.350 0.002 0.000 0.193 734 E C 2.062 178.971 176.600 0.515 0.000 0.998 734 E CA 0.193 56.986 56.400 0.655 0.000 0.851 734 E CB 0.058 30.153 29.700 0.660 0.000 0.795 734 E HN 0.148 nan 8.360 nan 0.000 0.492 735 L N 0.787 122.173 121.223 0.272 0.000 2.044 735 L HA -0.194 4.147 4.340 0.002 0.000 0.205 735 L C 2.731 179.722 176.870 0.201 0.000 1.075 735 L CA 1.013 55.956 54.840 0.173 0.000 0.747 735 L CB -0.113 41.962 42.059 0.028 0.000 0.903 735 L HN 0.110 nan 8.230 nan 0.000 0.435 736 Q N 0.205 120.094 119.800 0.149 0.000 2.096 736 Q HA -0.311 4.030 4.340 0.002 0.000 0.208 736 Q C 2.106 178.178 176.000 0.120 0.000 0.993 736 Q CA 2.241 58.110 55.803 0.110 0.000 0.862 736 Q CB -0.105 28.684 28.738 0.084 0.000 0.915 736 Q HN 0.177 nan 8.270 nan 0.000 0.416 737 R N -0.795 119.797 120.500 0.153 0.000 2.092 737 R HA -0.192 4.149 4.340 0.002 0.000 0.226 737 R C 2.077 178.421 176.300 0.075 0.000 1.140 737 R CA 2.150 58.264 56.100 0.023 0.000 0.910 737 R CB -1.584 28.581 30.300 -0.226 0.000 0.822 737 R HN 0.493 nan 8.270 nan 0.000 0.433 738 Y N 0.598 120.929 120.300 0.052 0.000 2.172 738 Y HA -0.289 4.262 4.550 0.002 0.000 0.280 738 Y C 1.765 177.695 175.900 0.049 0.000 1.209 738 Y CA 2.305 60.457 58.100 0.087 0.000 1.171 738 Y CB -0.166 38.375 38.460 0.136 0.000 0.965 738 Y HN 0.164 nan 8.280 nan 0.000 0.520 739 L N -1.360 119.970 121.223 0.178 0.000 2.127 739 L HA -0.089 4.252 4.340 0.002 0.000 0.203 739 L C 2.307 179.170 176.870 -0.012 0.000 1.080 739 L CA 1.588 56.465 54.840 0.062 0.000 0.768 739 L CB -0.657 41.475 42.059 0.120 0.000 0.924 739 L HN 0.302 nan 8.230 nan 0.000 0.444 740 T N -2.360 112.201 114.554 0.012 0.000 3.081 740 T HA 0.048 4.399 4.350 0.002 0.000 0.250 740 T C 0.937 175.630 174.700 -0.012 0.000 1.100 740 T CA -0.543 61.561 62.100 0.007 0.000 1.038 740 T CB -0.212 68.670 68.868 0.023 0.000 0.962 740 T HN 0.278 nan 8.240 nan 0.000 0.516 741 R N 2.120 122.595 120.500 -0.042 0.000 2.582 741 R HA 0.375 4.716 4.340 0.002 0.000 0.271 741 R C 0.100 176.375 176.300 -0.042 0.000 1.078 741 R CA -0.940 55.125 56.100 -0.058 0.000 1.127 741 R CB 0.522 30.771 30.300 -0.086 0.000 1.038 741 R HN 0.346 nan 8.270 nan 0.000 0.500 742 K N 2.050 122.420 120.400 -0.050 0.000 2.344 742 K HA 0.189 4.510 4.320 0.002 0.000 0.260 742 K C -0.332 176.295 176.600 0.044 0.000 0.988 742 K CA -0.297 55.981 56.287 -0.016 0.000 0.909 742 K CB 0.599 33.029 32.500 -0.117 0.000 0.968 742 K HN 0.722 nan 8.250 nan 0.000 0.505 743 I N -0.081 120.549 120.570 0.100 0.000 2.775 743 I HA 0.428 4.599 4.170 0.002 0.000 0.295 743 I C -1.081 174.917 176.117 -0.199 0.000 1.287 743 I CA -0.706 60.576 61.300 -0.029 0.000 1.029 743 I CB 2.157 40.027 38.000 -0.218 0.000 1.282 743 I HN 0.900 nan 8.210 nan 0.000 0.426 744 G N 5.182 113.701 108.800 -0.468 0.000 2.400 744 G HA2 0.685 4.645 3.960 0.002 0.000 0.333 744 G HA3 0.685 4.645 3.960 0.002 0.000 0.333 744 G C -1.667 172.882 174.900 -0.586 0.000 1.143 744 G CA -0.349 44.450 45.100 -0.501 0.000 0.914 744 G HN 0.369 nan 8.290 nan 0.000 0.480 745 F N 0.046 120.064 119.950 0.112 0.000 2.538 745 F HA 0.334 4.862 4.527 0.002 0.000 0.325 745 F C 1.119 176.969 175.800 0.083 0.000 1.066 745 F CA -0.594 57.452 58.000 0.076 0.000 0.946 745 F CB 1.854 40.893 39.000 0.065 0.000 1.199 745 F HN 0.822 nan 8.300 nan 0.000 0.473 746 E N -0.828 119.526 120.200 0.256 0.000 2.365 746 E HA -0.262 4.089 4.350 0.002 0.000 0.237 746 E C -0.509 176.169 176.600 0.130 0.000 1.238 746 E CA 0.354 56.853 56.400 0.165 0.000 0.718 746 E CB -1.805 27.983 29.700 0.148 0.000 1.218 746 E HN 0.599 nan 8.360 nan 0.000 0.387 747 A N 0.482 123.364 122.820 0.103 0.000 2.272 747 A HA 0.762 5.083 4.320 0.002 0.000 0.275 747 A C 0.538 178.148 177.584 0.043 0.000 1.096 747 A CA 0.031 52.119 52.037 0.084 0.000 0.822 747 A CB 1.307 20.320 19.000 0.021 0.000 1.088 747 A HN 0.961 nan 8.150 nan 0.000 0.495 748 V N -2.109 117.820 119.914 0.026 0.000 3.178 748 V HA 0.813 4.934 4.120 0.002 0.000 0.302 748 V C -0.732 175.342 176.094 -0.034 0.000 1.262 748 V CA -0.738 61.557 62.300 -0.009 0.000 1.030 748 V CB 1.513 33.331 31.823 -0.010 0.000 1.074 748 V HN 1.291 nan 8.190 nan 0.000 0.438 749 M N 2.580 122.130 119.600 -0.083 0.000 2.501 749 M HA 0.899 5.380 4.480 0.002 0.000 0.293 749 M C -1.127 175.117 176.300 -0.093 0.000 1.192 749 M CA -0.616 54.625 55.300 -0.098 0.000 0.886 749 M CB 2.422 34.905 32.600 -0.195 0.000 1.710 749 M HN 1.034 nan 8.290 nan 0.000 0.457 750 R N 3.112 123.595 120.500 -0.029 0.000 2.744 750 R HA 0.795 5.136 4.340 0.002 0.000 0.279 750 R C -2.289 174.045 176.300 0.056 0.000 0.977 750 R CA -0.348 55.757 56.100 0.008 0.000 0.906 750 R CB 1.686 32.009 30.300 0.039 0.000 1.197 750 R HN 0.705 nan 8.270 nan 0.000 0.463 751 I N 2.994 123.617 120.570 0.088 0.000 2.436 751 I HA 0.526 4.697 4.170 0.002 0.000 0.289 751 I C -0.155 176.063 176.117 0.169 0.000 1.010 751 I CA -0.359 61.025 61.300 0.139 0.000 1.098 751 I CB 1.908 39.969 38.000 0.103 0.000 1.266 751 I HN 0.511 nan 8.210 nan 0.000 0.434 752 R N 4.254 124.881 120.500 0.212 0.000 2.832 752 R HA 0.923 5.264 4.340 0.002 0.000 0.271 752 R C -1.174 175.248 176.300 0.203 0.000 0.996 752 R CA -0.741 55.460 56.100 0.168 0.000 0.977 752 R CB 2.211 32.589 30.300 0.130 0.000 1.168 752 R HN 0.847 nan 8.270 nan 0.000 0.482 753 C N -1.365 118.007 119.300 0.119 0.000 2.985 753 C HA 0.452 4.912 4.460 0.002 0.000 0.332 753 C C 0.325 175.254 174.990 -0.102 0.000 1.164 753 C CA -0.937 58.100 59.018 0.032 0.000 1.347 753 C CB 1.203 29.141 27.740 0.329 0.000 1.764 753 C HN 0.803 nan 8.230 nan 0.000 0.489 754 T N 2.758 117.155 114.554 -0.262 0.000 2.897 754 T HA -0.031 4.320 4.350 0.002 0.000 0.304 754 T C 0.366 174.979 174.700 -0.144 0.000 1.051 754 T CA 0.926 62.885 62.100 -0.236 0.000 1.132 754 T CB 0.161 68.878 68.868 -0.252 0.000 1.066 754 T HN 0.904 nan 8.240 nan 0.000 0.518 755 K N 1.363 121.653 120.400 -0.183 0.000 2.484 755 K HA 0.187 4.508 4.320 0.002 0.000 0.280 755 K C 1.335 177.942 176.600 0.011 0.000 1.013 755 K CA 0.890 57.130 56.287 -0.077 0.000 1.029 755 K CB -0.331 32.124 32.500 -0.076 0.000 0.902 755 K HN 0.866 nan 8.250 nan 0.000 0.481 756 G N 3.270 112.081 108.800 0.019 0.000 2.339 756 G HA2 -0.206 3.755 3.960 0.002 0.000 0.209 756 G HA3 -0.206 3.755 3.960 0.002 0.000 0.209 756 G C -0.175 174.745 174.900 0.034 0.000 1.015 756 G CA -0.252 44.868 45.100 0.033 0.000 0.635 756 G HN 0.509 nan 8.290 nan 0.000 0.499 757 L N 1.643 122.889 121.223 0.039 0.000 2.307 757 L HA 0.739 5.080 4.340 0.002 0.000 0.282 757 L C 0.158 177.076 176.870 0.079 0.000 1.051 757 L CA -0.504 54.383 54.840 0.078 0.000 0.804 757 L CB 1.918 44.053 42.059 0.127 0.000 1.197 757 L HN 0.208 nan 8.230 nan 0.000 0.431 758 S N 3.141 118.893 115.700 0.086 0.000 2.614 758 S HA 0.588 5.059 4.470 0.002 0.000 0.288 758 S C -0.741 173.911 174.600 0.087 0.000 1.137 758 S CA -0.590 57.657 58.200 0.077 0.000 0.992 758 S CB 0.980 64.215 63.200 0.058 0.000 1.026 758 S HN 0.337 nan 8.310 nan 0.000 0.486 759 I N 6.121 126.707 120.570 0.027 0.000 2.416 759 I HA 0.300 4.471 4.170 0.002 0.000 0.288 759 I C 1.393 177.461 176.117 -0.082 0.000 1.051 759 I CA 0.113 61.339 61.300 -0.123 0.000 1.375 759 I CB 0.820 38.624 38.000 -0.327 0.000 1.407 759 I HN 0.777 nan 8.210 nan 0.000 0.516 760 H N 2.630 121.591 119.070 -0.181 0.000 3.058 760 H HA 0.397 4.954 4.556 0.001 0.000 0.266 760 H C -0.577 174.709 175.328 -0.069 0.000 1.135 760 H CA -0.265 55.737 56.048 -0.076 0.000 1.174 760 H CB 0.687 30.434 29.762 -0.025 0.000 1.581 760 H HN 0.453 nan 8.280 nan 0.000 0.553 761 T N 1.196 115.390 114.554 -0.601 0.000 3.159 761 T HA 0.412 4.763 4.350 0.002 0.000 0.343 761 T C -1.595 172.704 174.700 -0.667 0.000 1.364 761 T CA -0.511 61.327 62.100 -0.437 0.000 1.102 761 T CB 1.545 70.125 68.868 -0.479 0.000 1.263 761 T HN 0.046 nan 8.240 nan 0.000 0.477 762 F N 1.951 121.695 119.950 -0.344 0.000 2.556 762 F HA 0.654 5.182 4.527 0.001 0.000 0.327 762 F C 0.464 176.080 175.800 -0.307 0.000 1.059 762 F CA -0.888 56.972 58.000 -0.233 0.000 0.953 762 F CB 1.411 40.406 39.000 -0.007 0.000 1.227 762 F HN 0.446 nan 8.300 nan 0.000 0.478 763 H N 0.649 120.060 119.070 0.568 0.000 2.924 763 H HA 0.673 5.230 4.556 0.002 0.000 0.333 763 H C -0.015 175.442 175.328 0.214 0.000 0.979 763 H CA -1.100 55.114 56.048 0.276 0.000 1.326 763 H CB 1.349 31.175 29.762 0.107 0.000 1.600 763 H HN 0.854 nan 8.280 nan 0.000 0.520 764 G N 2.016 110.680 108.800 -0.227 0.000 2.350 764 G HA2 -0.103 3.858 3.960 0.002 0.000 0.304 764 G HA3 -0.103 3.858 3.960 0.002 0.000 0.304 764 G C -1.387 172.779 174.900 -1.223 0.000 1.421 764 G CA -1.170 43.574 45.100 -0.593 0.000 0.934 764 G HN 0.384 nan 8.290 nan 0.000 0.632 765 N N 0.953 119.201 118.700 -0.754 0.000 2.482 765 N HA 0.635 5.376 4.740 0.002 0.000 0.242 765 N C -0.564 174.790 175.510 -0.260 0.000 1.100 765 N CA 0.317 53.041 53.050 -0.542 0.000 0.946 765 N CB -0.117 38.176 38.487 -0.324 0.000 1.227 765 N HN 0.616 nan 8.380 nan 0.000 0.508 766 F N -0.535 119.481 119.950 0.110 0.000 2.926 766 F HA 0.579 5.107 4.527 0.002 0.000 0.321 766 F C -1.780 174.179 175.800 0.265 0.000 1.168 766 F CA -1.910 56.197 58.000 0.178 0.000 0.890 766 F CB 0.757 39.869 39.000 0.186 0.000 1.357 766 F HN 0.007 nan 8.300 nan 0.000 0.468 767 F N 1.811 122.032 119.950 0.451 0.000 2.507 767 F HA 0.736 5.263 4.527 0.001 0.000 0.328 767 F C -1.356 174.502 175.800 0.096 0.000 1.136 767 F CA -1.814 56.353 58.000 0.279 0.000 0.930 767 F CB 1.644 40.731 39.000 0.145 0.000 1.166 767 F HN 0.416 nan 8.300 nan 0.000 0.436 768 V N 8.298 127.897 119.914 -0.524 0.000 2.338 768 V HA 0.261 4.381 4.120 0.002 0.000 0.255 768 V C 1.072 176.556 176.094 -1.016 0.000 1.082 768 V CA -0.450 61.392 62.300 -0.764 0.000 0.951 768 V CB -0.344 31.088 31.823 -0.652 0.000 1.102 768 V HN 0.715 nan 8.190 nan 0.000 0.489 769 R N 2.011 121.979 120.500 -0.885 0.000 1.419 769 R HA 0.090 4.431 4.340 0.002 0.000 0.062 769 R C 1.140 177.211 176.300 -0.381 0.000 0.448 769 R CA 0.150 55.882 56.100 -0.614 0.000 2.080 769 R CB -0.345 29.766 30.300 -0.314 0.000 0.473 769 R HN 0.583 nan 8.270 nan 0.000 0.770 770 S N 1.152 116.716 115.700 -0.226 0.000 2.498 770 S HA -0.019 4.452 4.470 0.002 0.000 0.281 770 S C -0.482 174.029 174.600 -0.148 0.000 1.265 770 S CA 0.001 58.113 58.200 -0.146 0.000 1.071 770 S CB -0.210 62.936 63.200 -0.090 0.000 0.894 770 S HN 0.366 nan 8.310 nan 0.000 0.491 771 T N 5.198 119.686 114.554 -0.109 0.000 2.222 771 T HA -0.200 4.151 4.350 0.002 0.000 0.214 771 T C 0.520 175.169 174.700 -0.085 0.000 1.016 771 T CA 1.675 63.742 62.100 -0.056 0.000 1.386 771 T CB -0.478 68.421 68.868 0.051 0.000 1.003 771 T HN 0.972 nan 8.240 nan 0.000 0.403 772 D N 0.477 120.791 120.400 -0.143 0.000 2.792 772 D HA -0.197 4.444 4.640 0.002 0.000 0.231 772 D C -0.318 175.873 176.300 -0.182 0.000 1.160 772 D CA 0.568 54.497 54.000 -0.119 0.000 0.697 772 D CB -0.652 40.245 40.800 0.162 0.000 1.070 772 D HN 0.480 nan 8.370 nan 0.000 0.426 773 L N 1.472 122.528 121.223 -0.278 0.000 2.387 773 L HA 0.388 4.729 4.340 0.002 0.000 0.259 773 L C -0.430 176.253 176.870 -0.312 0.000 1.050 773 L CA -0.554 54.156 54.840 -0.218 0.000 0.922 773 L CB 0.848 42.804 42.059 -0.172 0.000 1.280 773 L HN 0.026 nan 8.230 nan 0.000 0.449 774 L N 2.697 123.723 121.223 -0.328 0.000 2.281 774 L HA 0.343 4.684 4.340 0.002 0.000 0.285 774 L C 0.701 177.484 176.870 -0.145 0.000 1.074 774 L CA -0.101 54.514 54.840 -0.375 0.000 0.817 774 L CB 1.184 42.909 42.059 -0.558 0.000 1.168 774 L HN 0.511 nan 8.230 nan 0.000 0.434 775 S N 4.604 120.281 115.700 -0.038 0.000 2.499 775 S HA 0.473 4.944 4.470 0.002 0.000 0.275 775 S C -0.031 174.664 174.600 0.158 0.000 1.257 775 S CA -0.566 57.683 58.200 0.082 0.000 1.050 775 S CB 0.249 63.560 63.200 0.185 0.000 0.937 775 S HN 0.462 nan 8.310 nan 0.000 0.490 776 L N 7.446 128.736 121.223 0.110 0.000 2.581 776 L HA 0.305 4.646 4.340 0.002 0.000 0.241 776 L C -1.905 175.016 176.870 0.086 0.000 1.265 776 L CA -1.826 53.086 54.840 0.119 0.000 0.954 776 L CB 0.821 42.914 42.059 0.058 0.000 1.269 776 L HN 0.431 nan 8.230 nan 0.000 0.475 777 P HA -0.216 nan 4.420 nan 0.000 0.222 777 P C -0.032 177.317 177.300 0.080 0.000 1.154 777 P CA 1.629 64.795 63.100 0.109 0.000 0.874 777 P CB 0.172 31.942 31.700 0.117 0.000 0.787 778 N N -3.219 115.499 118.700 0.030 0.000 2.329 778 N HA 0.453 5.194 4.740 0.002 0.000 0.282 778 N C -1.955 173.497 175.510 -0.097 0.000 1.198 778 N CA -0.670 52.336 53.050 -0.072 0.000 0.790 778 N CB 2.285 40.751 38.487 -0.036 0.000 1.579 778 N HN -0.342 nan 8.380 nan 0.000 0.475 779 V N 2.332 122.108 119.914 -0.230 0.000 2.525 779 V HA 0.582 4.703 4.120 0.002 0.000 0.299 779 V C -1.255 174.779 176.094 -0.101 0.000 1.034 779 V CA -0.640 61.521 62.300 -0.232 0.000 0.863 779 V CB 1.030 32.501 31.823 -0.587 0.000 0.999 779 V HN 0.848 nan 8.190 nan 0.000 0.423 780 N N 6.990 125.758 118.700 0.113 0.000 2.459 780 N HA 0.591 5.332 4.740 0.002 0.000 0.288 780 N C -2.615 173.131 175.510 0.393 0.000 1.186 780 N CA -1.858 51.331 53.050 0.231 0.000 0.917 780 N CB 2.303 40.868 38.487 0.130 0.000 1.219 780 N HN 0.423 nan 8.380 nan 0.000 0.525 781 P HA 0.224 nan 4.420 nan 0.000 0.249 781 P C -0.638 176.859 177.300 0.329 0.000 1.544 781 P CA 0.318 63.546 63.100 0.213 0.000 0.932 781 P CB 0.182 31.833 31.700 -0.082 0.000 1.524 782 D N -1.092 119.466 120.400 0.262 0.000 2.490 782 D HA 0.119 4.760 4.640 0.002 0.000 0.246 782 D C 0.635 176.947 176.300 0.020 0.000 1.196 782 D CA -0.063 54.029 54.000 0.153 0.000 0.812 782 D CB 0.770 41.632 40.800 0.104 0.000 1.191 782 D HN 0.074 nan 8.370 nan 0.000 0.531 783 A N 1.095 123.964 122.820 0.082 0.000 2.450 783 A HA 0.588 4.909 4.320 0.002 0.000 0.255 783 A C 0.766 178.280 177.584 -0.117 0.000 1.096 783 A CA 0.226 52.233 52.037 -0.050 0.000 0.778 783 A CB 0.628 19.670 19.000 0.070 0.000 1.031 783 A HN 0.094 nan 8.150 nan 0.000 0.494 784 G N 0.160 108.752 108.800 -0.346 0.000 2.489 784 G HA2 0.663 4.624 3.960 0.002 0.000 0.327 784 G HA3 0.663 4.624 3.960 0.002 0.000 0.327 784 G C -1.325 173.331 174.900 -0.407 0.000 1.189 784 G CA -0.474 44.494 45.100 -0.221 0.000 0.962 784 G HN 0.597 nan 8.290 nan 0.000 0.486 785 Y N -1.313 119.006 120.300 0.032 0.000 2.609 785 Y HA 0.706 5.257 4.550 0.002 0.000 0.336 785 Y C 0.186 176.133 175.900 0.079 0.000 1.129 785 Y CA -0.850 57.319 58.100 0.115 0.000 1.040 785 Y CB 2.240 40.797 38.460 0.161 0.000 1.310 785 Y HN 0.893 nan 8.280 nan 0.000 0.460 786 A N 0.860 123.866 122.820 0.310 0.000 2.572 786 A HA 0.919 5.240 4.320 0.002 0.000 0.295 786 A C -1.984 175.708 177.584 0.180 0.000 1.072 786 A CA -0.769 51.396 52.037 0.214 0.000 0.691 786 A CB 1.780 20.906 19.000 0.211 0.000 1.291 786 A HN 0.547 nan 8.150 nan 0.000 0.404 787 V N 0.576 120.513 119.914 0.037 0.000 3.049 787 V HA 0.601 4.722 4.120 0.002 0.000 0.309 787 V C -0.813 175.182 176.094 -0.166 0.000 1.148 787 V CA -0.425 61.761 62.300 -0.190 0.000 0.990 787 V CB 2.229 33.866 31.823 -0.309 0.000 1.039 787 V HN 1.031 nan 8.190 nan 0.000 0.430 788 Q N 4.331 123.942 119.800 -0.314 0.000 2.330 788 Q HA 0.767 5.108 4.340 0.002 0.000 0.269 788 Q C -0.920 174.949 176.000 -0.219 0.000 1.022 788 Q CA -0.588 55.075 55.803 -0.233 0.000 0.796 788 Q CB 1.760 30.351 28.738 -0.245 0.000 1.271 788 Q HN 0.811 nan 8.270 nan 0.000 0.450 789 M N 0.743 120.355 119.600 0.020 0.000 2.777 789 M HA 0.818 5.299 4.480 0.002 0.000 0.307 789 M C -0.850 175.561 176.300 0.184 0.000 1.228 789 M CA -0.896 54.492 55.300 0.147 0.000 0.871 789 M CB 2.132 34.769 32.600 0.061 0.000 1.721 789 M HN 0.590 nan 8.290 nan 0.000 0.487 790 S N -0.188 115.584 115.700 0.120 0.000 2.651 790 S HA 0.698 5.169 4.470 0.002 0.000 0.279 790 S C -0.890 173.726 174.600 0.026 0.000 1.148 790 S CA -0.900 57.316 58.200 0.025 0.000 0.837 790 S CB 1.729 64.868 63.200 -0.103 0.000 1.138 790 S HN 0.606 nan 8.310 nan 0.000 0.478 791 V N 2.042 121.961 119.914 0.008 0.000 2.339 791 V HA 0.307 4.428 4.120 0.002 0.000 0.261 791 V C 1.347 177.442 176.094 0.001 0.000 1.058 791 V CA -0.107 62.201 62.300 0.014 0.000 0.897 791 V CB 0.052 31.882 31.823 0.011 0.000 1.052 791 V HN 1.079 nan 8.190 nan 0.000 0.480 792 E N 3.309 123.514 120.200 0.007 0.000 2.158 792 E HA -0.017 4.333 4.350 0.002 0.000 0.191 792 E C 0.323 176.926 176.600 0.005 0.000 0.982 792 E CA 0.750 57.150 56.400 0.001 0.000 0.823 792 E CB 0.479 30.183 29.700 0.007 0.000 0.766 792 E HN 0.800 nan 8.360 nan 0.000 0.468 793 E N -0.240 119.967 120.200 0.013 0.000 2.314 793 E HA 0.272 4.623 4.350 0.002 0.000 0.272 793 E C -1.361 175.248 176.600 0.016 0.000 0.884 793 E CA -0.526 55.883 56.400 0.014 0.000 0.753 793 E CB 2.188 31.901 29.700 0.022 0.000 1.213 793 E HN -0.121 nan 8.360 nan 0.000 0.432 794 S N 1.911 117.616 115.700 0.010 0.000 2.549 794 S HA 0.047 4.518 4.470 0.002 0.000 0.286 794 S C 0.814 175.420 174.600 0.011 0.000 1.314 794 S CA -0.147 58.058 58.200 0.007 0.000 1.062 794 S CB 0.186 63.387 63.200 0.001 0.000 0.865 794 S HN 0.395 nan 8.310 nan 0.000 0.498 795 L N 3.453 124.683 121.223 0.011 0.000 2.777 795 L HA 0.036 4.377 4.340 0.002 0.000 0.244 795 L C 2.220 179.087 176.870 -0.005 0.000 1.235 795 L CA -0.098 54.749 54.840 0.012 0.000 1.062 795 L CB -1.390 40.678 42.059 0.016 0.000 1.340 795 L HN 0.857 nan 8.230 nan 0.000 0.439 796 T N -4.381 110.167 114.554 -0.011 0.000 2.788 796 T HA -0.202 4.149 4.350 0.002 0.000 0.268 796 T C 1.214 175.890 174.700 -0.040 0.000 1.044 796 T CA 1.350 63.437 62.100 -0.021 0.000 1.139 796 T CB -0.063 68.793 68.868 -0.020 0.000 0.867 796 T HN 0.266 nan 8.240 nan 0.000 0.454 797 D N 2.141 122.510 120.400 -0.053 0.000 2.240 797 D HA -0.026 4.614 4.640 0.002 0.000 0.204 797 D C 1.484 177.714 176.300 -0.117 0.000 1.018 797 D CA 2.100 56.036 54.000 -0.106 0.000 0.887 797 D CB -0.758 39.948 40.800 -0.156 0.000 1.087 797 D HN 0.712 nan 8.370 nan 0.000 0.464 798 T N -2.181 112.305 114.554 -0.112 0.000 2.788 798 T HA 0.337 4.688 4.350 0.002 0.000 0.280 798 T C 0.461 175.140 174.700 -0.036 0.000 0.984 798 T CA -0.548 61.502 62.100 -0.084 0.000 0.972 798 T CB 1.208 70.055 68.868 -0.035 0.000 1.039 798 T HN 0.102 nan 8.240 nan 0.000 0.530 799 Q N -0.136 119.648 119.800 -0.026 0.000 2.149 799 Q HA 0.438 4.779 4.340 0.002 0.000 0.221 799 Q C -0.660 175.333 176.000 -0.012 0.000 0.807 799 Q CA -0.102 55.691 55.803 -0.016 0.000 1.000 799 Q CB 0.597 29.325 28.738 -0.017 0.000 1.157 799 Q HN 0.488 nan 8.270 nan 0.000 0.487 800 L N 1.187 122.404 121.223 -0.010 0.000 2.526 800 L HA 0.557 4.898 4.340 0.002 0.000 0.263 800 L C -0.948 175.894 176.870 -0.046 0.000 0.943 800 L CA -1.209 53.614 54.840 -0.029 0.000 0.859 800 L CB 2.388 44.437 42.059 -0.016 0.000 1.313 800 L HN -0.161 nan 8.230 nan 0.000 0.406 801 V N -0.847 118.989 119.914 -0.130 0.000 2.789 801 V HA 0.859 4.979 4.120 0.002 0.000 0.311 801 V C -0.344 175.463 176.094 -0.479 0.000 1.073 801 V CA -0.306 61.840 62.300 -0.257 0.000 0.921 801 V CB 1.865 33.539 31.823 -0.247 0.000 1.009 801 V HN 0.711 nan 8.190 nan 0.000 0.426 802 S N 2.749 118.092 115.700 -0.595 0.000 2.634 802 S HA 0.924 5.395 4.470 0.002 0.000 0.296 802 S C -1.245 172.804 174.600 -0.918 0.000 1.104 802 S CA -0.384 57.425 58.200 -0.651 0.000 0.920 802 S CB 1.696 64.728 63.200 -0.281 0.000 1.111 802 S HN 0.674 nan 8.310 nan 0.000 0.493 803 F N 1.255 121.115 119.950 -0.150 0.000 2.540 803 F HA 0.568 5.096 4.527 0.002 0.000 0.317 803 F C 0.121 175.958 175.800 0.062 0.000 1.104 803 F CA -0.558 57.403 58.000 -0.065 0.000 0.913 803 F CB 1.723 40.610 39.000 -0.187 0.000 1.170 803 F HN 0.358 nan 8.300 nan 0.000 0.450 804 Q N 2.176 122.199 119.800 0.372 0.000 2.304 804 Q HA 0.547 4.887 4.340 0.002 0.000 0.270 804 Q C -1.414 174.831 176.000 0.410 0.000 1.035 804 Q CA -0.607 55.444 55.803 0.413 0.000 0.781 804 Q CB 2.341 31.263 28.738 0.307 0.000 1.261 804 Q HN 0.815 nan 8.270 nan 0.000 0.444 805 S N 1.765 117.717 115.700 0.421 0.000 2.478 805 S HA 0.871 5.342 4.470 0.002 0.000 0.312 805 S C -0.811 173.886 174.600 0.162 0.000 1.094 805 S CA -0.637 57.694 58.200 0.219 0.000 1.081 805 S CB 1.756 64.980 63.200 0.039 0.000 1.007 805 S HN 0.619 nan 8.310 nan 0.000 0.475 806 A N 3.065 125.953 122.820 0.114 0.000 2.318 806 A HA 0.746 5.067 4.320 0.002 0.000 0.324 806 A C -0.949 176.658 177.584 0.038 0.000 1.170 806 A CA -0.731 51.331 52.037 0.041 0.000 0.810 806 A CB 0.959 20.011 19.000 0.086 0.000 1.198 806 A HN 0.902 nan 8.150 nan 0.000 0.484 807 L N 3.368 124.615 121.223 0.039 0.000 2.283 807 L HA 0.500 4.841 4.340 0.002 0.000 0.281 807 L C -0.750 176.217 176.870 0.161 0.000 1.033 807 L CA -0.670 54.210 54.840 0.068 0.000 0.848 807 L CB 0.832 42.933 42.059 0.069 0.000 1.226 807 L HN 0.662 nan 8.230 nan 0.000 0.429 808 L N 7.351 128.650 121.223 0.127 0.000 2.260 808 L HA 0.581 4.922 4.340 0.002 0.000 0.289 808 L C -0.878 176.109 176.870 0.195 0.000 1.057 808 L CA 0.131 55.054 54.840 0.139 0.000 0.811 808 L CB 0.340 42.460 42.059 0.103 0.000 1.184 808 L HN 0.630 nan 8.230 nan 0.000 0.429 809 Y N 1.174 121.485 120.300 0.017 0.000 2.900 809 Y HA 0.762 5.313 4.550 0.002 0.000 0.318 809 Y C -1.213 174.723 175.900 0.061 0.000 1.457 809 Y CA -1.139 56.962 58.100 0.002 0.000 1.082 809 Y CB 1.027 39.421 38.460 -0.110 0.000 1.419 809 Y HN 0.305 nan 8.280 nan 0.000 0.459 810 T N 2.380 117.131 114.554 0.327 0.000 2.815 810 T HA 0.451 4.802 4.350 0.002 0.000 0.289 810 T C -0.499 174.485 174.700 0.473 0.000 1.000 810 T CA -0.624 61.619 62.100 0.239 0.000 0.958 810 T CB 0.715 69.730 68.868 0.245 0.000 0.944 810 T HN 0.889 nan 8.240 nan 0.000 0.442 811 S N 2.197 118.093 115.700 0.327 0.000 2.589 811 S HA 0.121 4.592 4.470 0.002 0.000 0.265 811 S C 1.850 176.698 174.600 0.413 0.000 1.342 811 S CA -0.043 58.429 58.200 0.453 0.000 1.005 811 S CB 0.690 64.076 63.200 0.311 0.000 0.909 811 S HN 0.769 nan 8.310 nan 0.000 0.555 812 S N 0.600 116.551 115.700 0.419 0.000 2.469 812 S HA -0.058 4.413 4.470 0.002 0.000 0.238 812 S C 1.059 175.785 174.600 0.210 0.000 0.998 812 S CA 0.708 59.151 58.200 0.405 0.000 0.957 812 S CB -0.544 62.885 63.200 0.381 0.000 0.764 812 S HN 0.767 nan 8.310 nan 0.000 0.514 813 K N 0.624 121.130 120.400 0.177 0.000 2.446 813 K HA 0.288 4.609 4.320 0.002 0.000 0.203 813 K C 1.025 177.670 176.600 0.075 0.000 1.027 813 K CA 0.286 56.637 56.287 0.106 0.000 1.166 813 K CB -0.114 32.443 32.500 0.096 0.000 0.869 813 K HN 0.514 nan 8.250 nan 0.000 0.504 814 G N 1.936 110.787 108.800 0.085 0.000 2.160 814 G HA2 -0.289 3.672 3.960 0.002 0.000 0.251 814 G HA3 -0.289 3.672 3.960 0.002 0.000 0.251 814 G C -0.432 174.493 174.900 0.041 0.000 1.008 814 G CA 0.162 45.291 45.100 0.049 0.000 0.724 814 G HN 0.420 nan 8.290 nan 0.000 0.514 815 E N 0.024 120.254 120.200 0.049 0.000 2.175 815 E HA 0.481 4.832 4.350 0.002 0.000 0.278 815 E C 0.353 176.927 176.600 -0.042 0.000 0.969 815 E CA -0.992 55.412 56.400 0.007 0.000 0.796 815 E CB 0.923 30.626 29.700 0.005 0.000 1.104 815 E HN 0.021 nan 8.360 nan 0.000 0.395 816 R N 2.960 123.428 120.500 -0.053 0.000 2.340 816 R HA 0.390 4.731 4.340 0.002 0.000 0.300 816 R C -0.201 175.999 176.300 -0.167 0.000 1.069 816 R CA -0.025 56.020 56.100 -0.092 0.000 0.984 816 R CB 0.560 30.852 30.300 -0.013 0.000 1.003 816 R HN 0.561 nan 8.270 nan 0.000 0.459 817 R N 2.948 123.236 120.500 -0.354 0.000 2.668 817 R HA 0.515 4.856 4.340 0.002 0.000 0.272 817 R C -0.470 175.656 176.300 -0.289 0.000 1.019 817 R CA -0.842 55.053 56.100 -0.341 0.000 0.894 817 R CB 2.026 32.053 30.300 -0.456 0.000 1.228 817 R HN 0.435 nan 8.270 nan 0.000 0.460 818 I N 1.547 122.090 120.570 -0.045 0.000 2.441 818 I HA 0.461 4.632 4.170 0.002 0.000 0.295 818 I C -0.015 176.109 176.117 0.012 0.000 0.994 818 I CA -0.795 60.530 61.300 0.043 0.000 1.144 818 I CB 1.900 39.967 38.000 0.112 0.000 1.314 818 I HN 0.329 nan 8.210 nan 0.000 0.445 819 R N 5.664 126.186 120.500 0.036 0.000 2.435 819 R HA 0.652 4.993 4.340 0.002 0.000 0.308 819 R C -1.860 174.331 176.300 -0.181 0.000 0.975 819 R CA -0.413 55.657 56.100 -0.050 0.000 0.867 819 R CB 1.493 31.872 30.300 0.132 0.000 1.171 819 R HN 0.493 nan 8.270 nan 0.000 0.470 820 V N 4.171 123.886 119.914 -0.331 0.000 2.667 820 V HA 0.505 4.626 4.120 0.002 0.000 0.308 820 V C -0.281 175.595 176.094 -0.365 0.000 1.048 820 V CA -0.765 61.374 62.300 -0.268 0.000 0.928 820 V CB 1.860 33.531 31.823 -0.254 0.000 1.004 820 V HN 0.745 nan 8.190 nan 0.000 0.444 821 H N 1.325 120.472 119.070 0.128 0.000 2.768 821 H HA 0.657 5.214 4.556 0.002 0.000 0.371 821 H C -0.948 174.581 175.328 0.336 0.000 1.151 821 H CA -0.443 55.744 56.048 0.233 0.000 1.165 821 H CB 2.562 32.515 29.762 0.319 0.000 1.722 821 H HN 0.630 nan 8.280 nan 0.000 0.543 822 T N 2.714 117.515 114.554 0.411 0.000 2.916 822 T HA 0.365 4.716 4.350 0.002 0.000 0.298 822 T C -0.856 173.973 174.700 0.215 0.000 1.031 822 T CA -0.670 61.632 62.100 0.336 0.000 0.993 822 T CB 1.898 70.984 68.868 0.363 0.000 1.045 822 T HN 0.286 nan 8.240 nan 0.000 0.454 823 L N 2.269 123.432 121.223 -0.100 0.000 2.410 823 L HA 0.837 5.178 4.340 0.002 0.000 0.270 823 L C -1.142 175.454 176.870 -0.456 0.000 0.983 823 L CA -0.463 54.179 54.840 -0.329 0.000 0.822 823 L CB 1.590 43.320 42.059 -0.548 0.000 1.285 823 L HN 0.900 nan 8.230 nan 0.000 0.409 824 C N 6.150 124.991 119.300 -0.765 0.000 2.379 824 C HA 0.834 5.295 4.460 0.002 0.000 0.323 824 C C -0.561 174.203 174.990 -0.378 0.000 1.262 824 C CA -0.671 57.917 59.018 -0.717 0.000 1.581 824 C CB -0.034 26.941 27.740 -1.274 0.000 2.221 824 C HN 0.869 nan 8.230 nan 0.000 0.497 825 L N 6.459 127.552 121.223 -0.216 0.000 2.303 825 L HA 0.726 5.067 4.340 0.002 0.000 0.256 825 L C -2.378 174.454 176.870 -0.065 0.000 1.034 825 L CA -1.745 53.041 54.840 -0.090 0.000 0.832 825 L CB 2.587 44.657 42.059 0.019 0.000 1.403 825 L HN 0.450 nan 8.230 nan 0.000 0.419 826 P HA 0.290 nan 4.420 nan 0.000 0.296 826 P C -1.135 176.163 177.300 -0.002 0.000 1.301 826 P CA -0.480 62.612 63.100 -0.013 0.000 0.862 826 P CB 2.224 33.924 31.700 -0.000 0.000 1.046 827 V N 3.663 123.575 119.914 -0.003 0.000 2.509 827 V HA 0.379 4.500 4.120 0.002 0.000 0.284 827 V C 0.948 177.043 176.094 0.002 0.000 1.047 827 V CA -0.363 61.938 62.300 0.001 0.000 0.952 827 V CB 1.324 33.147 31.823 -0.001 0.000 0.988 827 V HN 0.516 nan 8.190 nan 0.000 0.469 828 V N 1.724 121.639 119.914 0.002 0.000 3.126 828 V HA 0.806 4.927 4.120 0.002 0.000 0.314 828 V C 0.200 176.295 176.094 0.001 0.000 1.138 828 V CA -0.162 62.141 62.300 0.004 0.000 1.034 828 V CB 2.195 34.023 31.823 0.008 0.000 1.075 828 V HN 0.820 nan 8.190 nan 0.000 0.442 829 S N -0.617 115.086 115.700 0.006 0.000 2.819 829 S HA 0.332 4.803 4.470 0.002 0.000 0.249 829 S C 0.460 175.067 174.600 0.011 0.000 1.030 829 S CA 0.310 58.512 58.200 0.004 0.000 1.052 829 S CB -0.307 62.895 63.200 0.003 0.000 1.017 829 S HN 1.530 nan 8.310 nan 0.000 0.576 830 T N -0.956 113.610 114.554 0.020 0.000 2.886 830 T HA 0.646 4.997 4.350 0.002 0.000 0.292 830 T C 0.904 175.638 174.700 0.057 0.000 1.012 830 T CA -0.868 61.255 62.100 0.039 0.000 0.982 830 T CB 1.243 70.141 68.868 0.049 0.000 1.018 830 T HN 0.002 nan 8.240 nan 0.000 0.451 831 L N 2.453 123.724 121.223 0.079 0.000 1.987 831 L HA -0.264 4.077 4.340 0.002 0.000 0.230 831 L C 3.077 180.110 176.870 0.271 0.000 1.089 831 L CA 2.346 57.262 54.840 0.127 0.000 0.802 831 L CB -0.661 41.553 42.059 0.258 0.000 0.905 831 L HN 0.930 nan 8.230 nan 0.000 0.441 832 N N -0.393 118.528 118.700 0.367 0.000 2.144 832 N HA -0.286 4.455 4.740 0.002 0.000 0.195 832 N C 1.373 177.051 175.510 0.280 0.000 1.006 832 N CA 2.265 55.553 53.050 0.397 0.000 0.880 832 N CB -0.123 38.502 38.487 0.230 0.000 1.018 832 N HN 0.371 nan 8.380 nan 0.000 0.443 833 D N 0.320 120.815 120.400 0.157 0.000 2.078 833 D HA -0.096 4.545 4.640 0.002 0.000 0.193 833 D C 2.187 178.527 176.300 0.066 0.000 0.990 833 D CA 0.930 54.987 54.000 0.094 0.000 0.827 833 D CB -0.590 40.242 40.800 0.052 0.000 0.975 833 D HN 0.075 nan 8.370 nan 0.000 0.451 834 V N 0.731 120.643 119.914 -0.003 0.000 2.277 834 V HA -0.302 3.819 4.120 0.002 0.000 0.253 834 V C 2.310 178.339 176.094 -0.109 0.000 1.067 834 V CA 1.626 63.858 62.300 -0.113 0.000 1.047 834 V CB -0.722 30.946 31.823 -0.260 0.000 0.649 834 V HN 0.165 nan 8.190 nan 0.000 0.447 835 F N -0.737 119.216 119.950 0.006 0.000 2.186 835 F HA -0.093 4.434 4.527 0.002 0.000 0.299 835 F C 2.165 177.944 175.800 -0.036 0.000 1.090 835 F CA 1.173 59.152 58.000 -0.035 0.000 1.307 835 F CB -0.290 38.701 39.000 -0.015 0.000 1.019 835 F HN 0.073 nan 8.300 nan 0.000 0.489 836 L N -0.842 120.503 121.223 0.202 0.000 2.191 836 L HA -0.110 4.231 4.340 0.002 0.000 0.212 836 L C 2.144 179.064 176.870 0.084 0.000 1.103 836 L CA 1.233 56.148 54.840 0.126 0.000 0.769 836 L CB -0.857 41.266 42.059 0.106 0.000 0.908 836 L HN 0.199 nan 8.230 nan 0.000 0.438 837 G N -0.667 108.168 108.800 0.057 0.000 3.605 837 G HA2 0.443 4.404 3.960 0.002 0.000 0.277 837 G HA3 0.443 4.404 3.960 0.002 0.000 0.277 837 G C 0.404 175.307 174.900 0.004 0.000 1.093 837 G CA 0.150 45.268 45.100 0.030 0.000 0.821 837 G HN 0.250 nan 8.290 nan 0.000 0.532 838 A N 0.438 123.257 122.820 -0.001 0.000 2.425 838 A HA 0.460 4.781 4.320 0.002 0.000 0.249 838 A C -0.358 177.197 177.584 -0.048 0.000 1.084 838 A CA -0.168 51.839 52.037 -0.051 0.000 0.781 838 A CB 0.569 19.527 19.000 -0.071 0.000 1.019 838 A HN 0.133 nan 8.150 nan 0.000 0.490 839 D N 2.961 123.322 120.400 -0.065 0.000 2.477 839 D HA 0.198 4.839 4.640 0.002 0.000 0.239 839 D C 1.039 177.306 176.300 -0.055 0.000 1.102 839 D CA -0.303 53.674 54.000 -0.039 0.000 0.901 839 D CB 1.085 41.870 40.800 -0.024 0.000 1.026 839 D HN 0.188 nan 8.370 nan 0.000 0.515 840 V N 4.668 124.549 119.914 -0.054 0.000 2.231 840 V HA -0.333 3.788 4.120 0.002 0.000 0.250 840 V C 2.062 178.225 176.094 0.115 0.000 1.058 840 V CA 2.158 64.443 62.300 -0.025 0.000 1.022 840 V CB -0.196 31.643 31.823 0.027 0.000 0.640 840 V HN 0.614 nan 8.190 nan 0.000 0.445 841 Q N -0.236 119.653 119.800 0.149 0.000 2.047 841 Q HA -0.312 4.029 4.340 0.002 0.000 0.211 841 Q C 2.368 178.380 176.000 0.020 0.000 1.005 841 Q CA 2.440 58.289 55.803 0.078 0.000 0.866 841 Q CB -0.643 28.101 28.738 0.009 0.000 0.938 841 Q HN 0.791 nan 8.270 nan 0.000 0.414 842 A N 0.793 123.614 122.820 0.001 0.000 1.933 842 A HA -0.177 4.144 4.320 0.002 0.000 0.218 842 A C 2.017 179.597 177.584 -0.007 0.000 1.175 842 A CA 1.160 53.189 52.037 -0.014 0.000 0.628 842 A CB -0.494 18.494 19.000 -0.020 0.000 0.814 842 A HN 0.279 nan 8.150 nan 0.000 0.444 843 I N 0.350 120.912 120.570 -0.014 0.000 2.208 843 I HA -0.188 3.983 4.170 0.002 0.000 0.245 843 I C 2.626 178.792 176.117 0.082 0.000 1.097 843 I CA 1.756 63.049 61.300 -0.011 0.000 1.363 843 I CB -1.539 36.379 38.000 -0.138 0.000 1.051 843 I HN 0.243 nan 8.210 nan 0.000 0.413 844 S N 0.901 116.683 115.700 0.137 0.000 2.351 844 S HA -0.134 4.337 4.470 0.002 0.000 0.220 844 S C 2.139 176.772 174.600 0.054 0.000 1.035 844 S CA 1.500 59.798 58.200 0.164 0.000 1.031 844 S CB -0.914 62.402 63.200 0.194 0.000 0.928 844 S HN 0.594 nan 8.310 nan 0.000 0.433 845 G N 1.353 110.156 108.800 0.006 0.000 2.448 845 G HA2 -0.149 3.812 3.960 0.002 0.000 0.219 845 G HA3 -0.149 3.812 3.960 0.002 0.000 0.219 845 G C 1.397 176.273 174.900 -0.041 0.000 1.127 845 G CA 0.892 45.975 45.100 -0.029 0.000 0.766 845 G HN 0.410 nan 8.290 nan 0.000 0.552 846 L N 0.255 121.462 121.223 -0.027 0.000 2.072 846 L HA 0.205 4.546 4.340 0.002 0.000 0.205 846 L C 2.595 179.419 176.870 -0.076 0.000 1.079 846 L CA 1.252 56.062 54.840 -0.048 0.000 0.752 846 L CB -0.409 41.642 42.059 -0.014 0.000 0.906 846 L HN 0.186 nan 8.230 nan 0.000 0.436 847 L N -0.238 120.970 121.223 -0.025 0.000 2.046 847 L HA -0.176 4.165 4.340 0.002 0.000 0.208 847 L C 2.766 179.579 176.870 -0.095 0.000 1.077 847 L CA 1.189 56.008 54.840 -0.036 0.000 0.747 847 L CB -1.161 40.910 42.059 0.020 0.000 0.896 847 L HN 0.388 nan 8.230 nan 0.000 0.432 848 A N 0.653 123.433 122.820 -0.067 0.000 1.869 848 A HA -0.300 4.021 4.320 0.002 0.000 0.218 848 A C 2.080 179.653 177.584 -0.020 0.000 1.203 848 A CA 2.453 54.481 52.037 -0.015 0.000 0.638 848 A CB -0.996 18.034 19.000 0.049 0.000 0.831 848 A HN 0.558 nan 8.150 nan 0.000 0.450 849 N N -0.694 117.919 118.700 -0.146 0.000 2.205 849 N HA -0.155 4.586 4.740 0.002 0.000 0.186 849 N C 1.818 177.127 175.510 -0.335 0.000 1.015 849 N CA 1.760 54.631 53.050 -0.299 0.000 0.862 849 N CB -0.280 37.853 38.487 -0.590 0.000 0.986 849 N HN 0.581 nan 8.380 nan 0.000 0.429 850 M N 0.557 119.991 119.600 -0.276 0.000 2.200 850 M HA -0.015 4.466 4.480 0.002 0.000 0.265 850 M C 2.451 178.723 176.300 -0.047 0.000 1.066 850 M CA 0.942 56.168 55.300 -0.124 0.000 1.127 850 M CB -0.158 32.407 32.600 -0.059 0.000 1.379 850 M HN 0.120 nan 8.290 nan 0.000 0.420 851 A N 0.468 123.243 122.820 -0.075 0.000 1.841 851 A HA -0.094 4.227 4.320 0.002 0.000 0.214 851 A C 2.296 179.948 177.584 0.114 0.000 1.195 851 A CA 1.658 53.647 52.037 -0.081 0.000 0.611 851 A CB -1.122 17.620 19.000 -0.431 0.000 0.835 851 A HN 0.230 nan 8.150 nan 0.000 0.443 852 V N 0.979 121.024 119.914 0.218 0.000 2.233 852 V HA -0.375 3.746 4.120 0.002 0.000 0.252 852 V C 2.309 178.457 176.094 0.090 0.000 1.063 852 V CA 2.642 65.045 62.300 0.172 0.000 1.032 852 V CB -1.026 30.824 31.823 0.045 0.000 0.645 852 V HN 0.545 nan 8.190 nan 0.000 0.446 853 D N -0.733 119.703 120.400 0.060 0.000 2.133 853 D HA -0.200 4.441 4.640 0.002 0.000 0.195 853 D C 2.265 178.611 176.300 0.076 0.000 0.997 853 D CA 1.554 55.601 54.000 0.078 0.000 0.840 853 D CB -0.399 40.473 40.800 0.120 0.000 0.947 853 D HN 0.261 nan 8.370 nan 0.000 0.452 854 R N 1.139 121.678 120.500 0.065 0.000 2.096 854 R HA -0.118 4.223 4.340 0.002 0.000 0.240 854 R C 2.074 178.411 176.300 0.062 0.000 1.139 854 R CA 1.955 58.088 56.100 0.054 0.000 0.952 854 R CB -0.834 29.480 30.300 0.024 0.000 0.854 854 R HN 0.059 nan 8.270 nan 0.000 0.436 855 S N 0.392 116.142 115.700 0.083 0.000 2.356 855 S HA -0.134 4.337 4.470 0.002 0.000 0.223 855 S C 1.933 176.569 174.600 0.060 0.000 1.032 855 S CA 1.617 59.866 58.200 0.082 0.000 1.005 855 S CB -0.238 63.033 63.200 0.118 0.000 0.867 855 S HN 0.268 nan 8.310 nan 0.000 0.449 856 M N 1.346 120.979 119.600 0.056 0.000 2.159 856 M HA -0.051 4.430 4.480 0.002 0.000 0.263 856 M C 2.200 178.533 176.300 0.055 0.000 1.063 856 M CA 1.333 56.662 55.300 0.049 0.000 1.110 856 M CB -1.976 30.653 32.600 0.049 0.000 1.374 856 M HN 0.271 nan 8.290 nan 0.000 0.411 857 T N 0.518 115.108 114.554 0.060 0.000 2.904 857 T HA 0.109 4.460 4.350 0.002 0.000 0.267 857 T C 1.574 176.304 174.700 0.050 0.000 1.059 857 T CA 1.422 63.557 62.100 0.060 0.000 1.137 857 T CB 0.111 69.019 68.868 0.066 0.000 0.879 857 T HN 0.502 nan 8.240 nan 0.000 0.467 858 A N 0.722 123.570 122.820 0.047 0.000 1.873 858 A HA 0.730 5.051 4.320 0.002 0.000 0.188 858 A C 0.505 178.112 177.584 0.038 0.000 2.054 858 A CA 0.363 52.423 52.037 0.040 0.000 1.506 858 A CB 0.287 19.309 19.000 0.036 0.000 1.084 858 A HN 0.451 nan 8.150 nan 0.000 0.620 859 S N -2.181 113.542 115.700 0.039 0.000 2.588 859 S HA 0.458 4.929 4.470 0.002 0.000 0.269 859 S C 0.215 174.845 174.600 0.050 0.000 1.157 859 S CA 0.149 58.372 58.200 0.039 0.000 0.824 859 S CB 0.808 64.026 63.200 0.030 0.000 1.126 859 S HN 1.227 nan 8.310 nan 0.000 0.464 860 L N 2.290 123.547 121.223 0.056 0.000 2.191 860 L HA 0.088 4.429 4.340 0.002 0.000 0.212 860 L C 2.241 179.151 176.870 0.066 0.000 1.103 860 L CA 2.298 57.188 54.840 0.083 0.000 0.769 860 L CB -1.098 41.004 42.059 0.070 0.000 0.908 860 L HN 0.809 nan 8.230 nan 0.000 0.438 861 S N -0.325 115.399 115.700 0.040 0.000 2.349 861 S HA -0.192 4.279 4.470 0.002 0.000 0.216 861 S C 1.619 176.229 174.600 0.017 0.000 1.033 861 S CA 1.378 59.593 58.200 0.026 0.000 1.021 861 S CB -0.568 62.645 63.200 0.020 0.000 0.968 861 S HN 0.521 nan 8.310 nan 0.000 0.426 862 D N 1.715 122.125 120.400 0.018 0.000 2.149 862 D HA -0.145 4.496 4.640 0.002 0.000 0.194 862 D C 2.142 178.438 176.300 -0.006 0.000 1.001 862 D CA 1.370 55.376 54.000 0.010 0.000 0.849 862 D CB -0.457 40.354 40.800 0.018 0.000 0.939 862 D HN 0.366 nan 8.370 nan 0.000 0.449 863 A N 1.459 124.281 122.820 0.003 0.000 1.849 863 A HA -0.262 4.059 4.320 0.002 0.000 0.217 863 A C 2.231 179.743 177.584 -0.121 0.000 1.202 863 A CA 1.850 53.864 52.037 -0.037 0.000 0.629 863 A CB -0.672 18.363 19.000 0.058 0.000 0.834 863 A HN 0.158 nan 8.150 nan 0.000 0.447 864 R N -0.512 119.946 120.500 -0.069 0.000 2.115 864 R HA -0.179 4.162 4.340 0.002 0.000 0.239 864 R C 1.978 178.229 176.300 -0.081 0.000 1.133 864 R CA 1.784 57.828 56.100 -0.093 0.000 0.935 864 R CB -0.679 29.611 30.300 -0.017 0.000 0.853 864 R HN 0.580 nan 8.270 nan 0.000 0.433 865 D N 0.372 120.750 120.400 -0.037 0.000 2.103 865 D HA -0.205 4.436 4.640 0.002 0.000 0.190 865 D C 1.837 178.120 176.300 -0.027 0.000 0.997 865 D CA 1.791 55.781 54.000 -0.018 0.000 0.833 865 D CB -0.501 40.299 40.800 -0.000 0.000 0.961 865 D HN 0.297 nan 8.370 nan 0.000 0.447 866 A N 0.695 123.494 122.820 -0.036 0.000 2.042 866 A HA -0.192 4.129 4.320 0.002 0.000 0.222 866 A C 2.441 179.994 177.584 -0.053 0.000 1.167 866 A CA 1.127 53.144 52.037 -0.033 0.000 0.649 866 A CB -0.798 18.183 19.000 -0.033 0.000 0.809 866 A HN 0.255 nan 8.150 nan 0.000 0.457 867 L N -1.114 120.048 121.223 -0.101 0.000 2.109 867 L HA -0.110 4.231 4.340 0.002 0.000 0.207 867 L C 2.454 179.284 176.870 -0.066 0.000 1.086 867 L CA 0.849 55.615 54.840 -0.122 0.000 0.760 867 L CB -0.278 41.644 42.059 -0.228 0.000 0.910 867 L HN 0.269 nan 8.230 nan 0.000 0.437 868 V N -0.049 119.851 119.914 -0.023 0.000 2.548 868 V HA -0.190 3.931 4.120 0.002 0.000 0.249 868 V C 2.006 178.086 176.094 -0.025 0.000 1.055 868 V CA 1.357 63.670 62.300 0.023 0.000 1.065 868 V CB -0.565 31.292 31.823 0.057 0.000 0.681 868 V HN 0.493 nan 8.190 nan 0.000 0.462 869 N N 0.697 119.389 118.700 -0.012 0.000 2.396 869 N HA -0.040 4.701 4.740 0.002 0.000 0.180 869 N C 1.857 177.372 175.510 0.009 0.000 1.028 869 N CA 1.326 54.376 53.050 -0.001 0.000 0.893 869 N CB -0.258 38.236 38.487 0.011 0.000 0.967 869 N HN 0.488 nan 8.380 nan 0.000 0.440 870 A N 0.766 123.589 122.820 0.005 0.000 1.902 870 A HA -0.072 4.249 4.320 0.002 0.000 0.217 870 A C 2.468 180.099 177.584 0.079 0.000 1.181 870 A CA 1.216 53.301 52.037 0.080 0.000 0.623 870 A CB -0.672 18.397 19.000 0.115 0.000 0.818 870 A HN 0.087 nan 8.150 nan 0.000 0.443 871 V N 0.263 120.070 119.914 -0.178 0.000 2.270 871 V HA -0.252 3.869 4.120 0.002 0.000 0.245 871 V C 2.436 178.491 176.094 -0.065 0.000 1.043 871 V CA 2.026 64.139 62.300 -0.311 0.000 1.014 871 V CB -0.745 30.794 31.823 -0.475 0.000 0.645 871 V HN 0.565 nan 8.190 nan 0.000 0.447 872 I N 0.219 120.745 120.570 -0.075 0.000 2.090 872 I HA -0.243 3.928 4.170 0.002 0.000 0.236 872 I C 2.307 178.440 176.117 0.028 0.000 1.064 872 I CA 1.836 63.113 61.300 -0.039 0.000 1.324 872 I CB -0.706 37.267 38.000 -0.045 0.000 1.044 872 I HN 0.277 nan 8.210 nan 0.000 0.399 873 D N 0.348 120.776 120.400 0.046 0.000 2.271 873 D HA -0.171 4.470 4.640 0.002 0.000 0.207 873 D C 2.159 178.537 176.300 0.131 0.000 0.983 873 D CA 1.338 55.382 54.000 0.073 0.000 0.878 873 D CB -0.120 40.720 40.800 0.067 0.000 0.920 873 D HN 0.264 nan 8.370 nan 0.000 0.479 874 S N -0.095 115.715 115.700 0.182 0.000 2.309 874 S HA -0.018 4.453 4.470 0.002 0.000 0.206 874 S C 2.114 176.885 174.600 0.284 0.000 1.028 874 S CA 0.265 58.637 58.200 0.287 0.000 0.972 874 S CB -0.370 63.083 63.200 0.422 0.000 0.961 874 S HN 0.145 nan 8.310 nan 0.000 0.449 875 L N 1.660 123.009 121.223 0.211 0.000 2.189 875 L HA -0.089 4.252 4.340 0.002 0.000 0.214 875 L C 2.743 179.690 176.870 0.127 0.000 1.097 875 L CA 1.409 56.334 54.840 0.141 0.000 0.764 875 L CB -0.690 41.409 42.059 0.066 0.000 0.900 875 L HN 0.404 nan 8.230 nan 0.000 0.436 876 S N -0.378 115.382 115.700 0.100 0.000 2.428 876 S HA -0.032 4.439 4.470 0.002 0.000 0.230 876 S C 2.033 176.686 174.600 0.089 0.000 1.014 876 S CA 0.949 59.186 58.200 0.061 0.000 0.957 876 S CB 0.076 63.297 63.200 0.035 0.000 0.784 876 S HN 0.452 nan 8.310 nan 0.000 0.499 877 A N -0.251 122.666 122.820 0.162 0.000 1.975 877 A HA 0.114 4.435 4.320 0.002 0.000 0.215 877 A C 1.895 179.616 177.584 0.228 0.000 1.170 877 A CA 0.927 53.082 52.037 0.195 0.000 0.656 877 A CB -0.943 18.213 19.000 0.260 0.000 0.821 877 A HN 0.669 nan 8.150 nan 0.000 0.449 878 Y N 0.803 121.144 120.300 0.067 0.000 2.224 878 Y HA -0.182 4.369 4.550 0.001 0.000 0.289 878 Y C 2.431 178.262 175.900 -0.116 0.000 1.146 878 Y CA 1.972 59.962 58.100 -0.183 0.000 1.182 878 Y CB -0.321 37.830 38.460 -0.515 0.000 0.983 878 Y HN 0.351 nan 8.280 nan 0.000 0.524 879 R N -0.651 119.793 120.500 -0.093 0.000 2.062 879 R HA -0.082 4.259 4.340 0.002 0.000 0.229 879 R C 1.913 178.134 176.300 -0.132 0.000 1.128 879 R CA 1.547 57.556 56.100 -0.151 0.000 0.960 879 R CB -0.530 29.738 30.300 -0.054 0.000 0.855 879 R HN 0.165 nan 8.270 nan 0.000 0.432 880 S N -0.235 115.429 115.700 -0.060 0.000 2.723 880 S HA -0.014 4.457 4.470 0.002 0.000 0.231 880 S C 0.529 175.094 174.600 -0.058 0.000 0.967 880 S CA 0.681 58.855 58.200 -0.044 0.000 0.958 880 S CB 0.121 63.317 63.200 -0.007 0.000 0.778 880 S HN 0.250 nan 8.310 nan 0.000 0.537 881 S N 0.747 116.373 115.700 -0.124 0.000 2.941 881 S HA 0.417 4.888 4.470 0.002 0.000 0.248 881 S C -0.285 174.156 174.600 -0.264 0.000 0.962 881 S CA -0.401 57.719 58.200 -0.134 0.000 1.092 881 S CB -0.241 62.933 63.200 -0.043 0.000 1.113 881 S HN 0.316 nan 8.310 nan 0.000 0.512 889 G N 0.948 109.734 108.800 -0.023 0.000 2.479 889 G HA2 0.401 4.362 3.960 0.002 0.000 0.275 889 G HA3 0.401 4.362 3.960 0.002 0.000 0.275 889 G C -0.527 174.349 174.900 -0.040 0.000 1.421 889 G CA -0.173 44.909 45.100 -0.030 0.000 1.059 889 G HN 0.313 nan 8.290 nan 0.000 0.535 890 L N 0.914 122.109 121.223 -0.048 0.000 2.302 890 L HA 0.398 4.739 4.340 0.002 0.000 0.285 890 L C 0.009 176.870 176.870 -0.015 0.000 1.090 890 L CA -0.394 54.415 54.840 -0.052 0.000 0.866 890 L CB 0.486 42.489 42.059 -0.093 0.000 1.244 890 L HN 0.194 nan 8.230 nan 0.000 0.435 891 M N 6.628 126.234 119.600 0.011 0.000 2.084 891 M HA 0.479 4.960 4.480 0.002 0.000 0.351 891 M C -0.367 176.004 176.300 0.120 0.000 1.240 891 M CA -0.443 54.891 55.300 0.057 0.000 1.083 891 M CB 0.973 33.605 32.600 0.053 0.000 1.593 891 M HN 0.360 nan 8.290 nan 0.000 0.463 892 V N 2.422 122.372 119.914 0.061 0.000 3.007 892 V HA 0.791 4.912 4.120 0.002 0.000 0.311 892 V C -2.775 173.188 176.094 -0.218 0.000 1.120 892 V CA -2.106 60.127 62.300 -0.111 0.000 0.980 892 V CB 2.298 34.047 31.823 -0.123 0.000 1.033 892 V HN 0.663 nan 8.190 nan 0.000 0.429 893 P HA 0.084 nan 4.420 nan 0.000 0.268 893 P C 0.763 177.992 177.300 -0.118 0.000 1.204 893 P CA 0.142 63.008 63.100 -0.389 0.000 0.768 893 P CB 0.680 31.949 31.700 -0.719 0.000 0.842 894 F N 4.088 123.972 119.950 -0.110 0.000 2.127 894 F HA -0.362 4.166 4.527 0.002 0.000 0.299 894 F C 2.244 178.003 175.800 -0.069 0.000 1.068 894 F CA 2.895 60.857 58.000 -0.064 0.000 1.263 894 F CB -0.716 38.264 39.000 -0.032 0.000 1.016 894 F HN 0.391 nan 8.300 nan 0.000 0.491 895 S N -0.311 115.398 115.700 0.015 0.000 2.406 895 S HA -0.112 4.359 4.470 0.002 0.000 0.228 895 S C 1.703 176.206 174.600 -0.163 0.000 1.020 895 S CA 1.296 59.453 58.200 -0.070 0.000 0.965 895 S CB -0.827 62.386 63.200 0.021 0.000 0.798 895 S HN 0.469 nan 8.310 nan 0.000 0.488 896 L N 1.940 123.066 121.223 -0.163 0.000 2.629 896 L HA 0.275 4.616 4.340 0.002 0.000 0.230 896 L C 2.394 179.217 176.870 -0.077 0.000 1.151 896 L CA -0.134 54.636 54.840 -0.116 0.000 0.924 896 L CB -0.331 41.674 42.059 -0.090 0.000 1.137 896 L HN 0.424 nan 8.230 nan 0.000 0.457 897 R N 0.704 121.093 120.500 -0.185 0.000 2.193 897 R HA -0.094 4.247 4.340 0.002 0.000 0.229 897 R C 1.133 177.323 176.300 -0.183 0.000 1.110 897 R CA 1.126 57.120 56.100 -0.177 0.000 0.988 897 R CB -0.259 29.870 30.300 -0.285 0.000 0.871 897 R HN 0.371 nan 8.270 nan 0.000 0.458 898 L N 0.098 121.158 121.223 -0.272 0.000 2.965 898 L HA 0.236 4.577 4.340 0.002 0.000 0.254 898 L C 0.821 177.453 176.870 -0.398 0.000 1.220 898 L CA -0.362 54.171 54.840 -0.511 0.000 1.023 898 L CB -0.044 41.499 42.059 -0.859 0.000 1.355 898 L HN 0.057 nan 8.230 nan 0.000 0.545 899 F N 2.947 122.749 119.950 -0.246 0.000 2.179 899 F HA 0.135 4.663 4.527 0.002 0.000 0.292 899 F C -0.662 175.148 175.800 0.017 0.000 1.089 899 F CA 0.201 58.150 58.000 -0.085 0.000 1.295 899 F CB -1.048 37.927 39.000 -0.041 0.000 1.041 899 F HN 0.057 nan 8.300 nan 0.000 0.487 900 P HA -0.098 nan 4.420 nan 0.000 0.220 900 P C 2.006 179.465 177.300 0.265 0.000 1.152 900 P CA 0.976 64.116 63.100 0.067 0.000 0.812 900 P CB -0.080 31.648 31.700 0.047 0.000 0.792 901 L N -1.588 119.732 121.223 0.162 0.000 2.131 901 L HA -0.074 4.267 4.340 0.002 0.000 0.210 901 L C 2.021 179.003 176.870 0.187 0.000 1.092 901 L CA 1.820 56.712 54.840 0.087 0.000 0.759 901 L CB -0.997 40.904 42.059 -0.264 0.000 0.903 901 L HN -0.093 nan 8.230 nan 0.000 0.435 902 F N -2.424 117.571 119.950 0.075 0.000 2.335 902 F HA -0.083 4.445 4.527 0.001 0.000 0.296 902 F C 2.180 178.003 175.800 0.038 0.000 1.091 902 F CA 0.346 58.380 58.000 0.056 0.000 1.399 902 F CB 0.006 39.041 39.000 0.059 0.000 1.067 902 F HN -0.136 nan 8.300 nan 0.000 0.520 903 V N 0.283 120.314 119.914 0.194 0.000 2.427 903 V HA -0.273 3.848 4.120 0.002 0.000 0.248 903 V C 2.188 178.264 176.094 -0.030 0.000 1.051 903 V CA 1.203 63.535 62.300 0.053 0.000 1.048 903 V CB -0.524 31.273 31.823 -0.044 0.000 0.666 903 V HN 0.243 nan 8.190 nan 0.000 0.456 904 L N 1.425 122.597 121.223 -0.084 0.000 1.955 904 L HA -0.140 4.201 4.340 0.002 0.000 0.213 904 L C 2.496 179.260 176.870 -0.176 0.000 1.072 904 L CA 2.604 57.193 54.840 -0.418 0.000 0.755 904 L CB -1.093 40.715 42.059 -0.420 0.000 0.888 904 L HN 0.222 nan 8.230 nan 0.000 0.432 905 A N -0.995 121.816 122.820 -0.015 0.000 2.084 905 A HA -0.206 4.115 4.320 0.002 0.000 0.221 905 A C 2.192 179.791 177.584 0.025 0.000 1.161 905 A CA 1.940 53.990 52.037 0.022 0.000 0.653 905 A CB -0.906 18.180 19.000 0.144 0.000 0.802 905 A HN 0.499 nan 8.150 nan 0.000 0.457 906 L N -0.771 120.476 121.223 0.041 0.000 2.072 906 L HA 0.050 4.391 4.340 0.002 0.000 0.205 906 L C 2.159 179.109 176.870 0.134 0.000 1.079 906 L CA 1.457 56.348 54.840 0.086 0.000 0.752 906 L CB -0.594 41.486 42.059 0.036 0.000 0.906 906 L HN 0.407 nan 8.230 nan 0.000 0.436 907 L N -1.307 119.914 121.223 -0.004 0.000 2.478 907 L HA -0.095 4.246 4.340 0.002 0.000 0.223 907 L C 1.968 178.842 176.870 0.008 0.000 1.140 907 L CA 0.675 55.513 54.840 -0.003 0.000 0.842 907 L CB -0.268 41.702 42.059 -0.148 0.000 0.953 907 L HN 0.173 nan 8.230 nan 0.000 0.452 908 K N -0.613 119.772 120.400 -0.025 0.000 2.354 908 K HA 0.043 4.364 4.320 0.002 0.000 0.194 908 K C 0.879 177.466 176.600 -0.023 0.000 1.038 908 K CA -0.169 56.094 56.287 -0.039 0.000 1.052 908 K CB 0.403 32.856 32.500 -0.078 0.000 0.861 908 K HN 0.227 nan 8.250 nan 0.000 0.535 909 Q N 1.768 121.570 119.800 0.003 0.000 2.492 909 Q HA -0.036 4.305 4.340 0.002 0.000 0.238 909 Q C 0.427 176.387 176.000 -0.067 0.000 1.045 909 Q CA 0.446 56.232 55.803 -0.028 0.000 0.934 909 Q CB 0.832 29.562 28.738 -0.013 0.000 1.276 909 Q HN -0.077 nan 8.270 nan 0.000 0.521 910 K N 0.875 121.219 120.400 -0.094 0.000 2.574 910 K HA -0.036 4.285 4.320 0.002 0.000 0.193 910 K C 1.057 177.526 176.600 -0.217 0.000 1.035 910 K CA 0.821 57.043 56.287 -0.109 0.000 0.982 910 K CB 0.249 32.713 32.500 -0.060 0.000 0.795 910 K HN 0.485 nan 8.250 nan 0.000 0.491 911 S N -0.640 114.829 115.700 -0.385 0.000 2.483 911 S HA 0.090 4.561 4.470 0.002 0.000 0.221 911 S C 0.662 174.651 174.600 -1.018 0.000 1.030 911 S CA 0.262 57.998 58.200 -0.775 0.000 0.925 911 S CB 0.159 62.687 63.200 -1.120 0.000 0.795 911 S HN 0.257 nan 8.310 nan 0.000 0.511 912 F N 1.363 121.279 119.950 -0.057 0.000 2.819 912 F HA 0.279 4.807 4.527 0.001 0.000 0.325 912 F C 0.849 176.619 175.800 -0.049 0.000 1.041 912 F CA -0.954 57.015 58.000 -0.052 0.000 1.184 912 F CB -0.489 38.476 39.000 -0.057 0.000 1.019 912 F HN 0.055 nan 8.300 nan 0.000 0.590 913 Q N 1.259 121.099 119.800 0.067 0.000 2.427 913 Q HA 0.103 4.444 4.340 0.002 0.000 0.310 913 Q C 0.732 176.745 176.000 0.021 0.000 1.167 913 Q CA 1.217 57.036 55.803 0.026 0.000 0.991 913 Q CB 0.466 29.199 28.738 -0.007 0.000 1.287 913 Q HN 0.395 nan 8.270 nan 0.000 0.443 914 T N -2.895 111.668 114.554 0.015 0.000 3.232 914 T HA 0.195 4.546 4.350 0.002 0.000 0.259 914 T C 1.586 176.299 174.700 0.022 0.000 0.987 914 T CA 0.283 62.393 62.100 0.017 0.000 1.096 914 T CB -0.695 68.183 68.868 0.016 0.000 1.131 914 T HN 0.675 nan 8.240 nan 0.000 0.445 915 G N 2.101 110.915 108.800 0.023 0.000 2.740 915 G HA2 0.238 4.199 3.960 0.002 0.000 0.208 915 G HA3 0.238 4.199 3.960 0.002 0.000 0.208 915 G C 0.469 175.413 174.900 0.073 0.000 1.148 915 G CA 0.624 45.752 45.100 0.047 0.000 0.795 915 G HN 0.595 nan 8.290 nan 0.000 0.526 916 T N -0.450 114.135 114.554 0.052 0.000 2.862 916 T HA 0.196 4.547 4.350 0.002 0.000 0.276 916 T C 0.713 175.463 174.700 0.083 0.000 0.974 916 T CA -0.512 61.619 62.100 0.052 0.000 0.966 916 T CB 1.209 70.088 68.868 0.019 0.000 1.072 916 T HN 0.017 nan 8.240 nan 0.000 0.538 917 N N 0.644 119.387 118.700 0.072 0.000 2.346 917 N HA 0.303 5.044 4.740 0.002 0.000 0.225 917 N C -0.144 175.397 175.510 0.051 0.000 1.144 917 N CA -0.335 52.767 53.050 0.087 0.000 0.837 917 N CB -0.259 38.273 38.487 0.075 0.000 1.069 917 N HN 0.710 nan 8.380 nan 0.000 0.487 918 A N 0.806 123.648 122.820 0.037 0.000 2.524 918 A HA 0.163 4.484 4.320 0.002 0.000 0.250 918 A C 0.460 178.059 177.584 0.025 0.000 1.078 918 A CA -0.124 51.928 52.037 0.026 0.000 0.761 918 A CB 0.196 19.201 19.000 0.009 0.000 1.012 918 A HN 0.321 nan 8.150 nan 0.000 0.500 919 R N 2.255 122.779 120.500 0.038 0.000 2.539 919 R HA 0.180 4.521 4.340 0.002 0.000 0.275 919 R C 0.628 176.955 176.300 0.045 0.000 1.077 919 R CA -0.814 55.314 56.100 0.047 0.000 1.097 919 R CB 0.370 30.717 30.300 0.079 0.000 1.018 919 R HN 0.691 nan 8.270 nan 0.000 0.483 920 L N 2.096 123.350 121.223 0.050 0.000 1.951 920 L HA -0.300 4.041 4.340 0.002 0.000 0.222 920 L C 1.654 178.562 176.870 0.063 0.000 1.078 920 L CA 2.021 56.902 54.840 0.068 0.000 0.778 920 L CB -0.590 41.536 42.059 0.112 0.000 0.893 920 L HN 0.633 nan 8.230 nan 0.000 0.436 921 D N -0.680 119.788 120.400 0.112 0.000 2.220 921 D HA -0.226 4.415 4.640 0.002 0.000 0.198 921 D C 2.140 178.297 176.300 -0.238 0.000 1.001 921 D CA 1.367 55.317 54.000 -0.083 0.000 0.875 921 D CB -0.044 40.714 40.800 -0.069 0.000 0.921 921 D HN 0.535 nan 8.370 nan 0.000 0.454 922 E N 0.010 120.163 120.200 -0.079 0.000 2.047 922 E HA -0.135 4.216 4.350 0.002 0.000 0.191 922 E C 2.201 178.778 176.600 -0.039 0.000 0.987 922 E CA 0.396 56.780 56.400 -0.026 0.000 0.799 922 E CB 0.012 29.755 29.700 0.073 0.000 0.752 922 E HN 0.168 nan 8.360 nan 0.000 0.449 923 R N 0.843 121.307 120.500 -0.059 0.000 2.094 923 R HA -0.194 4.147 4.340 0.002 0.000 0.239 923 R C 2.321 178.527 176.300 -0.157 0.000 1.137 923 R CA 1.485 57.518 56.100 -0.112 0.000 0.943 923 R CB -0.210 30.033 30.300 -0.094 0.000 0.850 923 R HN 0.105 nan 8.270 nan 0.000 0.433 924 I N 0.643 121.134 120.570 -0.131 0.000 2.118 924 I HA -0.312 3.859 4.170 0.002 0.000 0.241 924 I C 2.338 178.340 176.117 -0.192 0.000 1.070 924 I CA 1.429 62.637 61.300 -0.153 0.000 1.327 924 I CB -1.331 36.592 38.000 -0.129 0.000 1.034 924 I HN 0.228 nan 8.210 nan 0.000 0.405 925 F N 1.925 121.666 119.950 -0.349 0.000 2.161 925 F HA -0.185 4.343 4.527 0.001 0.000 0.300 925 F C 2.430 178.058 175.800 -0.286 0.000 1.089 925 F CA 1.476 59.255 58.000 -0.368 0.000 1.282 925 F CB -0.334 38.369 39.000 -0.495 0.000 1.010 925 F HN 0.044 nan 8.300 nan 0.000 0.485 926 A N 0.800 123.425 122.820 -0.325 0.000 1.902 926 A HA -0.208 4.113 4.320 0.002 0.000 0.217 926 A C 2.216 179.528 177.584 -0.452 0.000 1.181 926 A CA 2.093 53.894 52.037 -0.394 0.000 0.623 926 A CB -0.818 18.026 19.000 -0.261 0.000 0.818 926 A HN 0.521 nan 8.150 nan 0.000 0.443 927 M N -1.550 117.810 119.600 -0.400 0.000 2.492 927 M HA -0.048 4.433 4.480 0.002 0.000 0.262 927 M C 2.131 178.231 176.300 -0.334 0.000 1.090 927 M CA 0.516 55.605 55.300 -0.352 0.000 1.110 927 M CB -0.549 31.878 32.600 -0.289 0.000 1.407 927 M HN 0.472 nan 8.290 nan 0.000 0.470 928 C N 0.491 119.544 119.300 -0.411 0.000 2.457 928 C HA -0.063 4.398 4.460 0.002 0.000 0.278 928 C C 2.935 177.640 174.990 -0.475 0.000 1.309 928 C CA 0.782 59.549 59.018 -0.418 0.000 1.735 928 C CB -0.555 26.926 27.740 -0.432 0.000 1.992 928 C HN 0.525 nan 8.230 nan 0.000 0.493 929 Q N 0.056 119.489 119.800 -0.611 0.000 2.123 929 Q HA -0.081 4.260 4.340 0.002 0.000 0.199 929 Q C 2.420 178.210 176.000 -0.349 0.000 0.966 929 Q CA 1.168 56.646 55.803 -0.542 0.000 0.845 929 Q CB -0.578 27.769 28.738 -0.651 0.000 0.907 929 Q HN 0.549 nan 8.270 nan 0.000 0.439 930 V N 1.744 121.475 119.914 -0.305 0.000 2.287 930 V HA -0.256 3.865 4.120 0.002 0.000 0.248 930 V C 2.407 178.384 176.094 -0.195 0.000 1.053 930 V CA 1.647 63.827 62.300 -0.201 0.000 1.027 930 V CB -0.426 31.311 31.823 -0.144 0.000 0.646 930 V HN 0.262 nan 8.190 nan 0.000 0.447 931 K N 0.082 120.348 120.400 -0.224 0.000 2.097 931 K HA -0.142 4.179 4.320 0.002 0.000 0.206 931 K C 1.725 178.170 176.600 -0.258 0.000 1.049 931 K CA 1.350 57.508 56.287 -0.215 0.000 0.933 931 K CB -0.438 31.922 32.500 -0.234 0.000 0.717 931 K HN 0.481 nan 8.250 nan 0.000 0.442 932 N N 0.848 119.366 118.700 -0.303 0.000 2.234 932 N HA -0.016 4.725 4.740 0.002 0.000 0.227 932 N C -0.698 174.641 175.510 -0.284 0.000 1.151 932 N CA 0.048 52.896 53.050 -0.338 0.000 0.865 932 N CB 0.694 38.974 38.487 -0.344 0.000 1.066 932 N HN 0.192 nan 8.380 nan 0.000 0.515 933 Q N 1.163 120.825 119.800 -0.230 0.000 2.337 933 Q HA 0.440 4.781 4.340 0.002 0.000 0.266 933 Q C -2.624 173.290 176.000 -0.144 0.000 1.023 933 Q CA -1.791 53.916 55.803 -0.161 0.000 0.829 933 Q CB 2.318 30.981 28.738 -0.124 0.000 1.306 933 Q HN 0.141 nan 8.270 nan 0.000 0.449 934 P HA -0.031 nan 4.420 nan 0.000 0.266 934 P C 0.888 178.079 177.300 -0.183 0.000 1.215 934 P CA 0.162 63.137 63.100 -0.210 0.000 0.763 934 P CB 0.564 32.013 31.700 -0.418 0.000 0.806 935 L N 4.255 125.398 121.223 -0.134 0.000 2.143 935 L HA -0.326 4.015 4.340 0.002 0.000 0.231 935 L C 2.016 178.775 176.870 -0.185 0.000 1.106 935 L CA 2.107 56.870 54.840 -0.129 0.000 0.827 935 L CB -0.721 41.283 42.059 -0.092 0.000 0.915 935 L HN 0.188 nan 8.230 nan 0.000 0.448 936 V N -0.767 118.979 119.914 -0.280 0.000 2.282 936 V HA -0.379 3.742 4.120 0.002 0.000 0.249 936 V C 1.989 177.866 176.094 -0.362 0.000 1.057 936 V CA 2.462 64.534 62.300 -0.380 0.000 1.032 936 V CB -0.513 30.969 31.823 -0.569 0.000 0.645 936 V HN 0.553 nan 8.190 nan 0.000 0.447 937 Y N -1.286 118.974 120.300 -0.067 0.000 2.544 937 Y HA 0.050 4.601 4.550 0.001 0.000 0.286 937 Y C 1.938 177.780 175.900 -0.098 0.000 1.141 937 Y CA 0.606 58.663 58.100 -0.071 0.000 1.299 937 Y CB 0.085 38.506 38.460 -0.064 0.000 1.030 937 Y HN 0.353 nan 8.280 nan 0.000 0.543 938 L N -0.698 120.508 121.223 -0.028 0.000 2.240 938 L HA -0.089 4.252 4.340 0.002 0.000 0.211 938 L C 1.825 178.642 176.870 -0.090 0.000 1.106 938 L CA 1.406 56.206 54.840 -0.067 0.000 0.793 938 L CB -0.314 41.690 42.059 -0.091 0.000 0.927 938 L HN 0.086 nan 8.230 nan 0.000 0.446 939 M N -0.908 118.621 119.600 -0.120 0.000 2.081 939 M HA -0.074 4.407 4.480 0.002 0.000 0.261 939 M C 2.213 178.458 176.300 -0.091 0.000 1.075 939 M CA 1.282 56.475 55.300 -0.178 0.000 1.133 939 M CB -1.326 31.138 32.600 -0.228 0.000 1.330 939 M HN 0.194 nan 8.290 nan 0.000 0.414 940 L N 0.142 121.348 121.223 -0.028 0.000 2.010 940 L HA -0.274 4.067 4.340 0.002 0.000 0.219 940 L C 2.459 179.335 176.870 0.010 0.000 1.077 940 L CA 2.036 56.893 54.840 0.029 0.000 0.773 940 L CB -1.881 40.241 42.059 0.105 0.000 0.892 940 L HN 0.348 nan 8.230 nan 0.000 0.436 941 T N -0.727 113.828 114.554 0.002 0.000 2.569 941 T HA -0.198 4.153 4.350 0.002 0.000 0.263 941 T C 1.817 176.492 174.700 -0.042 0.000 1.074 941 T CA 2.325 64.411 62.100 -0.023 0.000 1.176 941 T CB -0.281 68.562 68.868 -0.042 0.000 0.863 941 T HN 0.394 nan 8.240 nan 0.000 0.410 942 T N 0.256 114.779 114.554 -0.050 0.000 2.699 942 T HA -0.145 4.206 4.350 0.002 0.000 0.268 942 T C 1.029 175.716 174.700 -0.021 0.000 1.036 942 T CA 1.200 63.275 62.100 -0.042 0.000 1.147 942 T CB -0.217 68.620 68.868 -0.050 0.000 0.862 942 T HN 0.388 nan 8.240 nan 0.000 0.446 943 H N 1.388 120.374 119.070 -0.140 0.000 2.423 943 H HA 0.335 4.892 4.556 0.002 0.000 0.237 943 H C -2.958 172.310 175.328 -0.100 0.000 1.391 943 H CA -2.467 53.508 56.048 -0.121 0.000 1.453 943 H CB 0.717 30.378 29.762 -0.168 0.000 1.484 943 H HN 0.112 nan 8.280 nan 0.000 0.505 944 P HA -0.058 nan 4.420 nan 0.000 0.269 944 P C -0.425 176.838 177.300 -0.062 0.000 1.205 944 P CA 0.359 63.412 63.100 -0.079 0.000 0.780 944 P CB 0.754 32.370 31.700 -0.141 0.000 0.858 945 S N 1.393 117.083 115.700 -0.016 0.000 2.429 945 S HA 0.414 4.885 4.470 0.002 0.000 0.302 945 S C -0.443 174.020 174.600 -0.227 0.000 1.115 945 S CA -0.423 57.695 58.200 -0.136 0.000 1.095 945 S CB 0.149 63.282 63.200 -0.112 0.000 0.987 945 S HN 0.298 nan 8.310 nan 0.000 0.474 946 L N 5.330 126.384 121.223 -0.282 0.000 2.265 946 L HA 0.564 4.905 4.340 0.002 0.000 0.289 946 L C -1.797 175.013 176.870 -0.100 0.000 1.033 946 L CA -0.321 54.464 54.840 -0.091 0.000 0.814 946 L CB -0.169 41.862 42.059 -0.046 0.000 1.203 946 L HN 0.569 nan 8.230 nan 0.000 0.423 947 Y N 3.816 124.273 120.300 0.261 0.000 2.364 947 Y HA 0.540 5.091 4.550 0.002 0.000 0.340 947 Y C 0.159 176.115 175.900 0.092 0.000 0.975 947 Y CA -0.805 57.403 58.100 0.179 0.000 1.089 947 Y CB 1.361 39.944 38.460 0.205 0.000 1.192 947 Y HN 0.538 nan 8.280 nan 0.000 0.454 948 R N 2.235 122.765 120.500 0.050 0.000 2.298 948 R HA 0.367 4.708 4.340 0.002 0.000 0.310 948 R C 0.256 176.344 176.300 -0.353 0.000 1.068 948 R CA -0.118 55.685 56.100 -0.494 0.000 0.957 948 R CB 0.653 30.526 30.300 -0.711 0.000 1.003 948 R HN 0.778 nan 8.270 nan 0.000 0.454 949 V N 1.198 120.891 119.914 -0.368 0.000 3.528 949 V HA 0.106 4.227 4.120 0.002 0.000 0.294 949 V C 0.856 176.745 176.094 -0.342 0.000 1.404 949 V CA 0.530 62.667 62.300 -0.271 0.000 1.065 949 V CB 0.443 32.225 31.823 -0.067 0.000 0.904 949 V HN 0.893 nan 8.190 nan 0.000 0.435 950 D N 1.910 121.976 120.400 -0.557 0.000 2.336 950 D HA -0.077 4.564 4.640 0.002 0.000 0.229 950 D C 0.533 176.642 176.300 -0.318 0.000 1.061 950 D CA 0.760 54.345 54.000 -0.691 0.000 0.875 950 D CB -0.215 40.045 40.800 -0.901 0.000 0.904 950 D HN 0.734 nan 8.370 nan 0.000 0.525 951 N N 0.698 119.252 118.700 -0.243 0.000 2.545 951 N HA 0.072 4.813 4.740 0.002 0.000 0.283 951 N C -0.310 175.119 175.510 -0.135 0.000 1.596 951 N CA -0.372 52.587 53.050 -0.151 0.000 0.862 951 N CB -0.586 37.815 38.487 -0.142 0.000 1.422 951 N HN 0.065 nan 8.380 nan 0.000 0.489 952 L N 1.342 122.479 121.223 -0.142 0.000 2.483 952 L HA 0.222 4.563 4.340 0.002 0.000 0.276 952 L C 1.122 177.930 176.870 -0.104 0.000 1.213 952 L CA 0.208 54.955 54.840 -0.155 0.000 0.843 952 L CB 0.529 42.475 42.059 -0.188 0.000 1.107 952 L HN 0.436 nan 8.230 nan 0.000 0.487 953 S N -0.379 115.256 115.700 -0.107 0.000 3.255 953 S HA 0.356 4.827 4.470 0.002 0.000 0.305 953 S C -0.102 174.456 174.600 -0.071 0.000 1.067 953 S CA -0.798 57.358 58.200 -0.075 0.000 0.966 953 S CB 1.059 64.221 63.200 -0.063 0.000 1.366 953 S HN 0.549 nan 8.310 nan 0.000 0.717 954 D N 0.731 121.098 120.400 -0.055 0.000 2.358 954 D HA 0.270 4.911 4.640 0.002 0.000 0.224 954 D C -0.092 176.177 176.300 -0.051 0.000 1.123 954 D CA 0.273 54.243 54.000 -0.050 0.000 0.833 954 D CB 0.211 40.990 40.800 -0.035 0.000 0.946 954 D HN 0.416 nan 8.370 nan 0.000 0.505 955 E N 0.140 120.304 120.200 -0.059 0.000 2.437 955 E HA 0.176 4.526 4.350 0.002 0.000 0.189 955 E C 1.218 177.775 176.600 -0.072 0.000 1.054 955 E CA -0.261 56.107 56.400 -0.053 0.000 0.874 955 E CB 0.269 29.942 29.700 -0.044 0.000 1.011 955 E HN 0.131 nan 8.360 nan 0.000 0.474 956 G N 0.586 109.332 108.800 -0.091 0.000 2.647 956 G HA2 0.198 4.159 3.960 0.002 0.000 0.271 956 G HA3 0.198 4.159 3.960 0.002 0.000 0.271 956 G C 0.269 175.091 174.900 -0.130 0.000 1.300 956 G CA -0.061 44.962 45.100 -0.129 0.000 0.997 956 G HN 0.264 nan 8.290 nan 0.000 0.533 957 A N 0.497 123.202 122.820 -0.191 0.000 3.105 957 A HA 0.339 4.660 4.320 0.002 0.000 0.272 957 A C 1.180 178.694 177.584 -0.117 0.000 1.466 957 A CA -0.498 51.437 52.037 -0.169 0.000 1.101 957 A CB -0.738 18.093 19.000 -0.281 0.000 1.065 957 A HN 0.867 nan 8.150 nan 0.000 0.643 958 L N -1.211 119.963 121.223 -0.083 0.000 3.053 958 L HA 0.053 4.393 4.340 0.002 0.000 0.244 958 L C 0.727 177.578 176.870 -0.032 0.000 1.430 958 L CA 0.737 55.545 54.840 -0.052 0.000 1.143 958 L CB -1.288 40.747 42.059 -0.040 0.000 1.539 958 L HN 0.678 nan 8.230 nan 0.000 0.442 959 N N 1.730 120.412 118.700 -0.030 0.000 2.511 959 N HA 0.050 4.791 4.740 0.002 0.000 0.190 959 N C 1.012 176.524 175.510 0.004 0.000 1.037 959 N CA -0.183 52.862 53.050 -0.009 0.000 0.895 959 N CB 0.282 38.767 38.487 -0.002 0.000 1.149 959 N HN 0.506 nan 8.380 nan 0.000 0.437 960 I N 3.903 124.478 120.570 0.008 0.000 3.460 960 I HA -0.206 3.965 4.170 0.002 0.000 0.321 960 I C 1.224 177.354 176.117 0.021 0.000 1.148 960 I CA 0.121 61.437 61.300 0.026 0.000 2.244 960 I CB -1.281 36.745 38.000 0.044 0.000 1.711 960 I HN 0.345 nan 8.210 nan 0.000 1.079 961 S N 4.727 120.438 115.700 0.019 0.000 4.155 961 S HA -0.408 4.063 4.470 0.002 0.000 0.538 961 S C 1.092 175.699 174.600 0.012 0.000 1.583 961 S CA 1.887 60.097 58.200 0.016 0.000 3.950 961 S CB -1.077 62.135 63.200 0.020 0.000 1.452 961 S HN 0.776 nan 8.310 nan 0.000 0.461 962 D N 1.738 122.147 120.400 0.015 0.000 2.323 962 D HA 0.187 4.828 4.640 0.002 0.000 0.209 962 D C 0.945 177.251 176.300 0.011 0.000 0.973 962 D CA 0.549 54.557 54.000 0.013 0.000 0.874 962 D CB -0.202 40.607 40.800 0.015 0.000 0.930 962 D HN 0.626 nan 8.370 nan 0.000 0.521 963 R N -0.233 120.276 120.500 0.014 0.000 2.368 963 R HA 0.448 4.789 4.340 0.002 0.000 0.302 963 R C 0.520 176.816 176.300 -0.007 0.000 1.002 963 R CA -0.179 55.928 56.100 0.011 0.000 0.929 963 R CB 1.468 31.783 30.300 0.026 0.000 1.073 963 R HN -0.079 nan 8.270 nan 0.000 0.464 964 T N 2.424 116.968 114.554 -0.017 0.000 2.818 964 T HA 0.210 4.561 4.350 0.002 0.000 0.246 964 T C 0.233 174.884 174.700 -0.081 0.000 1.036 964 T CA 0.254 62.330 62.100 -0.041 0.000 1.160 964 T CB -0.008 68.838 68.868 -0.035 0.000 0.869 964 T HN 0.579 nan 8.240 nan 0.000 0.419 965 I N 2.105 122.633 120.570 -0.070 0.000 7.137 965 I HA -0.107 4.064 4.170 0.002 0.000 0.126 965 I C -2.680 173.338 176.117 -0.164 0.000 1.835 965 I CA -0.879 60.349 61.300 -0.121 0.000 2.037 965 I CB -0.796 37.037 38.000 -0.278 0.000 3.601 965 I HN 0.229 nan 8.210 nan 0.000 0.169 966 P HA 0.006 nan 4.420 nan 0.000 0.269 966 P C -0.607 176.561 177.300 -0.219 0.000 1.215 966 P CA 0.268 63.265 63.100 -0.171 0.000 0.780 966 P CB 0.708 32.282 31.700 -0.209 0.000 0.898 967 Q N 1.349 121.024 119.800 -0.209 0.000 2.831 967 Q HA 0.279 4.620 4.340 0.002 0.000 0.366 967 Q C -1.862 174.074 176.000 -0.107 0.000 0.899 967 Q CA -1.466 54.244 55.803 -0.155 0.000 0.987 967 Q CB 0.539 29.201 28.738 -0.126 0.000 1.382 967 Q HN 0.478 nan 8.270 nan 0.000 0.403 968 P HA 0.136 nan 4.420 nan 0.000 0.270 968 P C -2.491 174.875 177.300 0.111 0.000 1.227 968 P CA -0.781 62.248 63.100 -0.117 0.000 0.788 968 P CB 0.101 31.634 31.700 -0.278 0.000 0.926 969 P HA 0.349 nan 4.420 nan 0.000 0.286 969 P C -0.119 177.280 177.300 0.164 0.000 1.261 969 P CA -0.484 62.706 63.100 0.151 0.000 0.821 969 P CB 1.023 32.770 31.700 0.078 0.000 1.013 970 I N 2.835 123.466 120.570 0.103 0.000 2.533 970 I HA 0.099 4.270 4.170 0.002 0.000 0.284 970 I C 0.794 176.896 176.117 -0.025 0.000 1.109 970 I CA -0.115 61.145 61.300 -0.066 0.000 1.412 970 I CB 0.029 38.004 38.000 -0.041 0.000 1.396 970 I HN 0.136 nan 8.210 nan 0.000 0.543 971 L N 6.393 127.587 121.223 -0.050 0.000 2.375 971 L HA 0.394 4.735 4.340 0.002 0.000 0.268 971 L C 0.196 177.051 176.870 -0.024 0.000 1.058 971 L CA -0.823 54.015 54.840 -0.003 0.000 0.803 971 L CB 0.858 42.944 42.059 0.045 0.000 1.212 971 L HN 0.562 nan 8.230 nan 0.000 0.451 972 Q N 0.997 120.782 119.800 -0.025 0.000 2.317 972 Q HA 0.358 4.699 4.340 0.002 0.000 0.229 972 Q C -0.712 175.226 176.000 -0.104 0.000 0.984 972 Q CA -0.573 55.210 55.803 -0.033 0.000 0.911 972 Q CB 1.143 29.848 28.738 -0.055 0.000 1.217 972 Q HN 0.439 nan 8.270 nan 0.000 0.501 973 L N 1.828 122.954 121.223 -0.160 0.000 2.395 973 L HA 0.209 4.550 4.340 0.002 0.000 0.268 973 L C 0.014 176.760 176.870 -0.206 0.000 1.223 973 L CA -0.112 54.578 54.840 -0.250 0.000 1.093 973 L CB -0.398 41.431 42.059 -0.383 0.000 1.349 973 L HN 0.428 nan 8.230 nan 0.000 0.427 974 S N 0.493 116.075 115.700 -0.196 0.000 2.550 974 S HA 0.338 4.809 4.470 0.002 0.000 0.270 974 S C 0.567 175.037 174.600 -0.216 0.000 1.145 974 S CA -0.634 57.462 58.200 -0.174 0.000 0.852 974 S CB 2.074 65.206 63.200 -0.113 0.000 1.119 974 S HN 0.070 nan 8.310 nan 0.000 0.465 975 V N 3.480 123.268 119.914 -0.209 0.000 2.970 975 V HA -0.021 4.100 4.120 0.002 0.000 0.260 975 V C 2.048 178.013 176.094 -0.214 0.000 1.100 975 V CA 1.763 63.910 62.300 -0.254 0.000 1.122 975 V CB -0.710 30.990 31.823 -0.204 0.000 0.721 975 V HN 0.883 nan 8.190 nan 0.000 0.483 976 E N -0.047 120.064 120.200 -0.147 0.000 2.333 976 E HA -0.170 4.181 4.350 0.002 0.000 0.198 976 E C 1.871 178.406 176.600 -0.109 0.000 1.007 976 E CA 0.614 56.950 56.400 -0.106 0.000 0.845 976 E CB 0.037 29.695 29.700 -0.071 0.000 0.766 976 E HN 0.472 nan 8.360 nan 0.000 0.507 977 K N 0.050 120.360 120.400 -0.150 0.000 2.284 977 K HA 0.124 4.445 4.320 0.002 0.000 0.198 977 K C 1.296 177.752 176.600 -0.241 0.000 1.048 977 K CA 0.162 56.377 56.287 -0.121 0.000 0.987 977 K CB 0.141 32.590 32.500 -0.085 0.000 0.800 977 K HN 0.114 nan 8.250 nan 0.000 0.486 978 L N 0.528 121.447 121.223 -0.506 0.000 2.367 978 L HA 0.054 4.395 4.340 0.002 0.000 0.215 978 L C 0.554 177.168 176.870 -0.426 0.000 1.197 978 L CA 0.031 54.263 54.840 -1.013 0.000 0.836 978 L CB 0.067 41.507 42.059 -1.032 0.000 1.242 978 L HN -0.005 nan 8.230 nan 0.000 0.553 979 S N -1.785 113.800 115.700 -0.191 0.000 2.561 979 S HA 0.249 4.720 4.470 0.002 0.000 0.292 979 S C 0.320 175.141 174.600 0.369 0.000 1.107 979 S CA -0.750 57.563 58.200 0.188 0.000 0.969 979 S CB 0.994 64.389 63.200 0.325 0.000 1.150 979 S HN 0.560 nan 8.310 nan 0.000 0.451 980 R N 2.002 122.659 120.500 0.261 0.000 2.211 980 R HA -0.083 4.258 4.340 0.002 0.000 0.240 980 R C 0.467 176.842 176.300 0.125 0.000 1.144 980 R CA 1.524 57.754 56.100 0.218 0.000 0.992 980 R CB -0.207 30.156 30.300 0.105 0.000 0.869 980 R HN 0.591 nan 8.270 nan 0.000 0.462 981 D N -0.190 120.293 120.400 0.137 0.000 2.363 981 D HA 0.033 4.674 4.640 0.002 0.000 0.226 981 D C 0.952 177.299 176.300 0.079 0.000 1.020 981 D CA 0.791 54.841 54.000 0.083 0.000 0.892 981 D CB 0.459 41.301 40.800 0.070 0.000 0.900 981 D HN 0.371 nan 8.370 nan 0.000 0.531 982 G N -0.509 108.393 108.800 0.171 0.000 2.846 982 G HA2 0.628 4.589 3.960 0.002 0.000 0.299 982 G HA3 0.628 4.589 3.960 0.002 0.000 0.299 982 G C -1.699 173.264 174.900 0.104 0.000 1.242 982 G CA -0.185 44.950 45.100 0.057 0.000 0.800 982 G HN 0.136 nan 8.290 nan 0.000 0.538 983 A N -0.812 121.907 122.820 -0.168 0.000 2.393 983 A HA 0.845 5.166 4.320 0.002 0.000 0.306 983 A C -1.759 175.779 177.584 -0.078 0.000 1.050 983 A CA -0.566 51.453 52.037 -0.030 0.000 0.724 983 A CB 0.961 19.723 19.000 -0.397 0.000 1.248 983 A HN 0.602 nan 8.150 nan 0.000 0.424 984 F N 1.654 121.777 119.950 0.287 0.000 2.536 984 F HA 0.499 5.027 4.527 0.002 0.000 0.322 984 F C -0.170 175.839 175.800 0.348 0.000 1.144 984 F CA -0.706 57.480 58.000 0.310 0.000 0.924 984 F CB 2.044 41.265 39.000 0.369 0.000 1.181 984 F HN 0.567 nan 8.300 nan 0.000 0.438 985 L N 4.855 126.355 121.223 0.461 0.000 2.375 985 L HA 0.601 4.942 4.340 0.002 0.000 0.271 985 L C -0.620 176.584 176.870 0.556 0.000 1.107 985 L CA -0.265 54.854 54.840 0.464 0.000 0.806 985 L CB 1.192 43.514 42.059 0.438 0.000 1.146 985 L HN 0.773 nan 8.230 nan 0.000 0.447 986 M N 4.385 124.287 119.600 0.504 0.000 2.197 986 M HA 0.344 4.825 4.480 0.002 0.000 0.301 986 M C -1.633 174.830 176.300 0.271 0.000 0.987 986 M CA -0.638 54.881 55.300 0.364 0.000 0.921 986 M CB 1.261 34.037 32.600 0.293 0.000 1.569 986 M HN 0.676 nan 8.290 nan 0.000 0.431 987 D N 4.201 124.763 120.400 0.269 0.000 2.317 987 D HA 0.496 5.137 4.640 0.002 0.000 0.234 987 D C -0.253 176.117 176.300 0.117 0.000 1.112 987 D CA -0.070 54.059 54.000 0.215 0.000 0.840 987 D CB 1.737 42.730 40.800 0.321 0.000 1.078 987 D HN 0.705 nan 8.370 nan 0.000 0.486 988 A N 2.741 125.608 122.820 0.079 0.000 2.594 988 A HA 0.572 4.893 4.320 0.002 0.000 0.287 988 A C 1.527 179.139 177.584 0.047 0.000 1.227 988 A CA 0.433 52.496 52.037 0.043 0.000 0.952 988 A CB -0.245 18.770 19.000 0.025 0.000 1.161 988 A HN 0.883 nan 8.150 nan 0.000 0.524 989 G N 0.436 109.277 108.800 0.068 0.000 2.779 989 G HA2 -0.432 3.529 3.960 0.002 0.000 0.230 989 G HA3 -0.432 3.529 3.960 0.002 0.000 0.230 989 G C 1.650 176.546 174.900 -0.007 0.000 1.243 989 G CA 1.490 46.632 45.100 0.071 0.000 0.769 989 G HN 1.318 nan 8.290 nan 0.000 0.516 990 S N -0.742 114.943 115.700 -0.025 0.000 2.441 990 S HA 0.579 5.050 4.470 0.002 0.000 0.224 990 S C 0.820 175.436 174.600 0.027 0.000 1.043 990 S CA 1.178 59.340 58.200 -0.063 0.000 0.948 990 S CB 0.793 63.931 63.200 -0.104 0.000 0.810 990 S HN 1.709 nan 8.310 nan 0.000 0.504 991 V N 1.130 121.078 119.914 0.057 0.000 3.078 991 V HA 0.611 4.732 4.120 0.002 0.000 0.311 991 V C -2.035 174.097 176.094 0.063 0.000 1.138 991 V CA -1.362 60.996 62.300 0.096 0.000 1.007 991 V CB 2.081 33.989 31.823 0.143 0.000 1.045 991 V HN 0.431 nan 8.190 nan 0.000 0.432 992 L N 5.635 126.889 121.223 0.051 0.000 2.325 992 L HA 0.610 4.951 4.340 0.002 0.000 0.281 992 L C -0.748 176.083 176.870 -0.065 0.000 1.004 992 L CA -0.417 54.449 54.840 0.044 0.000 0.823 992 L CB 1.768 43.869 42.059 0.070 0.000 1.236 992 L HN 0.589 nan 8.230 nan 0.000 0.415 993 M N 4.976 124.556 119.600 -0.033 0.000 2.114 993 M HA 0.330 4.811 4.480 0.002 0.000 0.332 993 M C -0.844 175.498 176.300 0.070 0.000 1.014 993 M CA -0.507 54.699 55.300 -0.156 0.000 0.956 993 M CB 1.930 34.487 32.600 -0.071 0.000 1.551 993 M HN 0.274 nan 8.290 nan 0.000 0.427 994 L N 4.754 125.979 121.223 0.004 0.000 2.288 994 L HA 0.399 4.740 4.340 0.002 0.000 0.283 994 L C -1.320 175.546 176.870 -0.008 0.000 1.072 994 L CA -0.122 54.772 54.840 0.089 0.000 0.862 994 L CB 0.014 42.156 42.059 0.138 0.000 1.245 994 L HN 0.773 nan 8.230 nan 0.000 0.432 995 W N 6.182 127.254 121.300 -0.380 0.000 2.261 995 W HA 0.574 5.235 4.660 0.001 0.000 0.323 995 W C -0.985 175.489 176.519 -0.074 0.000 1.243 995 W CA -0.242 56.799 57.345 -0.507 0.000 1.210 995 W CB 0.925 29.641 29.460 -1.239 0.000 1.149 995 W HN 0.310 nan 8.180 nan 0.000 0.562 996 V N 6.169 125.550 119.914 -0.887 0.000 2.656 996 V HA 0.632 4.753 4.120 0.002 0.000 0.307 996 V C 0.642 175.977 176.094 -1.265 0.000 1.051 996 V CA -0.908 60.986 62.300 -0.676 0.000 0.893 996 V CB 1.170 32.905 31.823 -0.147 0.000 0.999 996 V HN 0.797 nan 8.190 nan 0.000 0.426 997 G N 1.351 109.659 108.800 -0.820 0.000 2.503 997 G HA2 0.310 4.271 3.960 0.002 0.000 0.257 997 G HA3 0.310 4.271 3.960 0.002 0.000 0.257 997 G C 0.549 175.167 174.900 -0.471 0.000 1.214 997 G CA -0.259 44.483 45.100 -0.596 0.000 0.839 997 G HN 0.827 nan 8.290 nan 0.000 0.559 998 K N 0.373 120.437 120.400 -0.559 0.000 2.057 998 K HA -0.118 4.203 4.320 0.002 0.000 0.206 998 K C 1.120 177.367 176.600 -0.589 0.000 1.050 998 K CA 1.136 56.824 56.287 -0.999 0.000 0.935 998 K CB 0.040 32.196 32.500 -0.572 0.000 0.715 998 K HN 0.467 nan 8.250 nan 0.000 0.439 999 N N 0.729 119.269 118.700 -0.267 0.000 2.994 999 N HA 0.047 4.788 4.740 0.002 0.000 0.306 999 N C -1.013 174.460 175.510 -0.061 0.000 1.348 999 N CA -0.307 52.665 53.050 -0.129 0.000 1.109 999 N CB -0.283 38.165 38.487 -0.065 0.000 1.415 999 N HN 0.149 nan 8.380 nan 0.000 0.529 1000 C N -0.054 119.212 119.300 -0.056 0.000 2.553 1000 C HA 0.468 4.929 4.460 0.002 0.000 0.345 1000 C C 1.121 176.143 174.990 0.053 0.000 1.369 1000 C CA -0.392 58.642 59.018 0.026 0.000 2.447 1000 C CB 0.126 27.934 27.740 0.113 0.000 2.358 1000 C HN 0.674 nan 8.230 nan 0.000 0.676 1001 T N 1.369 115.971 114.554 0.080 0.000 2.856 1001 T HA 0.138 4.488 4.350 0.002 0.000 0.292 1001 T C 0.827 175.596 174.700 0.114 0.000 0.980 1001 T CA -0.107 62.041 62.100 0.079 0.000 1.091 1001 T CB 1.166 70.072 68.868 0.064 0.000 0.936 1001 T HN 0.746 nan 8.240 nan 0.000 0.503 1002 Q N 2.451 122.296 119.800 0.075 0.000 2.045 1002 Q HA -0.225 4.116 4.340 0.002 0.000 0.206 1002 Q C 2.110 178.154 176.000 0.074 0.000 0.991 1002 Q CA 2.469 58.311 55.803 0.065 0.000 0.851 1002 Q CB -0.643 28.119 28.738 0.040 0.000 0.911 1002 Q HN 0.957 nan 8.270 nan 0.000 0.418 1003 N N -0.154 118.591 118.700 0.075 0.000 2.111 1003 N HA -0.232 4.509 4.740 0.002 0.000 0.197 1003 N C 1.500 177.079 175.510 0.115 0.000 1.011 1003 N CA 1.764 54.861 53.050 0.078 0.000 0.880 1003 N CB -0.445 38.088 38.487 0.077 0.000 1.031 1003 N HN 0.196 nan 8.380 nan 0.000 0.444 1004 F N 0.581 120.529 119.950 -0.003 0.000 2.146 1004 F HA 0.027 4.555 4.527 0.001 0.000 0.298 1004 F C 1.779 177.579 175.800 -0.000 0.000 1.096 1004 F CA 1.105 59.103 58.000 -0.004 0.000 1.275 1004 F CB -0.311 38.685 39.000 -0.006 0.000 1.008 1004 F HN 0.089 nan 8.300 nan 0.000 0.480 1005 L N -0.423 120.770 121.223 -0.050 0.000 2.027 1005 L HA -0.186 4.155 4.340 0.002 0.000 0.206 1005 L C 2.747 179.531 176.870 -0.144 0.000 1.074 1005 L CA 1.520 56.275 54.840 -0.141 0.000 0.745 1005 L CB -1.290 40.762 42.059 -0.012 0.000 0.898 1005 L HN 0.252 nan 8.230 nan 0.000 0.433 1006 S N -0.773 114.885 115.700 -0.070 0.000 2.357 1006 S HA -0.142 4.329 4.470 0.002 0.000 0.221 1006 S C 1.892 176.452 174.600 -0.068 0.000 1.031 1006 S CA 0.605 58.771 58.200 -0.057 0.000 0.982 1006 S CB -0.249 62.938 63.200 -0.022 0.000 0.853 1006 S HN 0.378 nan 8.310 nan 0.000 0.458 1007 Q N 0.202 119.967 119.800 -0.058 0.000 2.408 1007 Q HA 0.345 4.686 4.340 0.002 0.000 0.205 1007 Q C 1.874 177.828 176.000 -0.077 0.000 0.919 1007 Q CA 0.383 56.160 55.803 -0.045 0.000 0.932 1007 Q CB 0.356 29.093 28.738 -0.003 0.000 1.058 1007 Q HN 0.572 nan 8.270 nan 0.000 0.517 1008 V N -0.593 119.209 119.914 -0.186 0.000 2.996 1008 V HA 0.051 4.171 4.120 0.002 0.000 0.235 1008 V C 1.867 177.757 176.094 -0.339 0.000 1.205 1008 V CA 0.306 62.447 62.300 -0.264 0.000 1.225 1008 V CB 0.113 31.686 31.823 -0.417 0.000 0.995 1008 V HN 0.119 nan 8.190 nan 0.000 0.484 1009 L N 0.721 121.662 121.223 -0.470 0.000 2.341 1009 L HA 0.282 4.623 4.340 0.002 0.000 0.214 1009 L C 1.682 178.442 176.870 -0.183 0.000 1.115 1009 L CA 1.157 55.796 54.840 -0.336 0.000 0.820 1009 L CB -0.258 41.571 42.059 -0.384 0.000 0.944 1009 L HN 0.636 nan 8.230 nan 0.000 0.452 1010 G N 0.584 109.293 108.800 -0.151 0.000 2.160 1010 G HA2 -0.217 3.744 3.960 0.002 0.000 0.244 1010 G HA3 -0.217 3.744 3.960 0.002 0.000 0.244 1010 G C -0.123 174.730 174.900 -0.079 0.000 1.022 1010 G CA 0.209 45.254 45.100 -0.093 0.000 0.741 1010 G HN 0.143 nan 8.290 nan 0.000 0.508 1011 V N -0.505 119.356 119.914 -0.088 0.000 3.074 1011 V HA 0.560 4.681 4.120 0.002 0.000 0.314 1011 V C 0.795 176.861 176.094 -0.047 0.000 1.117 1011 V CA -0.727 61.532 62.300 -0.068 0.000 1.014 1011 V CB 1.849 33.622 31.823 -0.082 0.000 1.057 1011 V HN 0.100 nan 8.190 nan 0.000 0.438 1012 Q N 1.383 121.164 119.800 -0.031 0.000 2.402 1012 Q HA 0.174 4.515 4.340 0.002 0.000 0.206 1012 Q C -0.209 175.793 176.000 0.004 0.000 0.919 1012 Q CA 0.421 56.215 55.803 -0.013 0.000 0.923 1012 Q CB 0.284 29.016 28.738 -0.011 0.000 1.048 1012 Q HN 0.975 nan 8.270 nan 0.000 0.515 1013 N N -3.244 115.460 118.700 0.007 0.000 2.710 1013 N HA -0.041 4.700 4.740 0.002 0.000 0.257 1013 N C -0.188 175.360 175.510 0.062 0.000 1.140 1013 N CA -0.598 52.480 53.050 0.046 0.000 0.953 1013 N CB -0.203 38.311 38.487 0.045 0.000 1.664 1013 N HN -0.174 nan 8.380 nan 0.000 0.497 1014 Y N 1.997 122.282 120.300 -0.025 0.000 2.144 1014 Y HA -0.384 4.167 4.550 0.001 0.000 0.277 1014 Y C 2.181 178.058 175.900 -0.039 0.000 1.229 1014 Y CA 3.319 61.398 58.100 -0.036 0.000 1.144 1014 Y CB -0.583 37.855 38.460 -0.037 0.000 0.953 1014 Y HN 0.815 nan 8.280 nan 0.000 0.515 1015 A N -0.727 122.117 122.820 0.039 0.000 1.978 1015 A HA -0.158 4.163 4.320 0.002 0.000 0.220 1015 A C 1.954 179.467 177.584 -0.118 0.000 1.170 1015 A CA 1.781 53.789 52.037 -0.048 0.000 0.636 1015 A CB -1.012 18.011 19.000 0.037 0.000 0.810 1015 A HN 0.583 nan 8.150 nan 0.000 0.448 1016 S N -0.286 115.355 115.700 -0.098 0.000 2.526 1016 S HA 0.427 4.898 4.470 0.002 0.000 0.247 1016 S C -0.057 174.470 174.600 -0.122 0.000 1.076 1016 S CA -0.554 57.589 58.200 -0.095 0.000 1.105 1016 S CB -0.223 62.943 63.200 -0.057 0.000 0.793 1016 S HN 0.215 nan 8.310 nan 0.000 0.458 1017 I N 4.266 124.721 120.570 -0.192 0.000 2.256 1017 I HA 0.290 4.461 4.170 0.002 0.000 0.294 1017 I C -2.065 173.957 176.117 -0.158 0.000 1.127 1017 I CA -2.773 58.414 61.300 -0.190 0.000 1.247 1017 I CB -0.874 36.959 38.000 -0.279 0.000 1.460 1017 I HN 0.142 nan 8.210 nan 0.000 0.511 1018 P HA -0.181 nan 4.420 nan 0.000 0.261 1018 P C 0.838 178.087 177.300 -0.084 0.000 1.133 1018 P CA 0.572 63.622 63.100 -0.084 0.000 0.756 1018 P CB 1.065 32.727 31.700 -0.063 0.000 0.726 1019 Q N 4.756 124.510 119.800 -0.078 0.000 1.858 1019 Q HA -0.150 4.191 4.340 0.002 0.000 0.240 1019 Q C -1.285 174.682 176.000 -0.056 0.000 1.014 1019 Q CA 1.621 57.381 55.803 -0.071 0.000 0.884 1019 Q CB -1.280 27.421 28.738 -0.062 0.000 0.957 1019 Q HN 0.437 nan 8.270 nan 0.000 0.419 1020 P HA 0.148 nan 4.420 nan 0.000 0.287 1020 P C -1.209 176.071 177.300 -0.033 0.000 1.294 1020 P CA 0.489 63.554 63.100 -0.059 0.000 0.776 1020 P CB 0.769 32.417 31.700 -0.086 0.000 0.889 1021 M N 3.270 122.873 119.600 0.006 0.000 2.072 1021 M HA 0.237 4.718 4.480 0.002 0.000 0.331 1021 M C 0.918 177.264 176.300 0.077 0.000 1.004 1021 M CA -0.179 55.136 55.300 0.025 0.000 0.952 1021 M CB 1.364 33.977 32.600 0.021 0.000 1.511 1021 M HN 0.174 nan 8.290 nan 0.000 0.422 1022 T N 2.410 116.997 114.554 0.055 0.000 3.067 1022 T HA 0.089 4.440 4.350 0.002 0.000 0.261 1022 T C -0.108 174.666 174.700 0.123 0.000 1.110 1022 T CA 0.930 63.083 62.100 0.087 0.000 1.113 1022 T CB 0.031 68.923 68.868 0.040 0.000 0.917 1022 T HN 0.795 nan 8.240 nan 0.000 0.499 1023 D N -0.742 119.717 120.400 0.097 0.000 2.720 1023 D HA 0.213 4.854 4.640 0.002 0.000 0.239 1023 D C -0.980 175.360 176.300 0.067 0.000 1.218 1023 D CA -0.517 53.546 54.000 0.105 0.000 0.748 1023 D CB 1.012 41.879 40.800 0.112 0.000 1.387 1023 D HN 0.134 nan 8.370 nan 0.000 0.438 1024 L N 1.875 123.136 121.223 0.065 0.000 2.476 1024 L HA 0.400 4.741 4.340 0.002 0.000 0.255 1024 L C -1.556 175.326 176.870 0.021 0.000 1.218 1024 L CA -1.004 53.853 54.840 0.028 0.000 0.819 1024 L CB 0.188 42.266 42.059 0.031 0.000 1.119 1024 L HN 0.275 nan 8.230 nan 0.000 0.485 1025 P HA 0.222 nan 4.420 nan 0.000 0.287 1025 P C -1.398 175.904 177.300 0.003 0.000 1.279 1025 P CA -0.681 62.417 63.100 -0.003 0.000 0.867 1025 P CB 1.106 32.792 31.700 -0.022 0.000 1.127 1026 E N 1.337 121.543 120.200 0.011 0.000 2.136 1026 E HA 0.265 4.616 4.350 0.002 0.000 0.246 1026 E C -0.312 176.292 176.600 0.006 0.000 1.017 1026 E CA -0.342 56.067 56.400 0.015 0.000 0.883 1026 E CB 0.006 29.722 29.700 0.026 0.000 1.199 1026 E HN 0.340 nan 8.360 nan 0.000 0.447 1027 L N 1.273 122.495 121.223 -0.003 0.000 2.418 1027 L HA 0.147 4.488 4.340 0.002 0.000 0.265 1027 L C 1.010 177.879 176.870 -0.001 0.000 1.143 1027 L CA -0.372 54.464 54.840 -0.008 0.000 0.809 1027 L CB 0.621 42.667 42.059 -0.022 0.000 1.124 1027 L HN 0.318 nan 8.230 nan 0.000 0.456 1028 D N 2.399 122.798 120.400 -0.001 0.000 2.608 1028 D HA 0.048 4.689 4.640 0.002 0.000 0.224 1028 D C -0.787 175.514 176.300 0.002 0.000 1.123 1028 D CA 0.052 54.053 54.000 0.003 0.000 1.030 1028 D CB 0.036 40.838 40.800 0.002 0.000 1.093 1028 D HN 0.656 nan 8.370 nan 0.000 0.497 1029 T N -0.437 114.120 114.554 0.004 0.000 2.956 1029 T HA 0.363 4.714 4.350 0.002 0.000 0.312 1029 T C -2.025 172.682 174.700 0.013 0.000 1.151 1029 T CA -1.292 60.812 62.100 0.006 0.000 1.024 1029 T CB 2.202 71.070 68.868 0.001 0.000 1.140 1029 T HN -0.145 nan 8.240 nan 0.000 0.473 1030 P HA -0.062 nan 4.420 nan 0.000 0.220 1030 P C 0.797 178.111 177.300 0.023 0.000 1.148 1030 P CA 1.104 64.214 63.100 0.015 0.000 0.803 1030 P CB 0.320 32.026 31.700 0.011 0.000 0.782 1031 E N -0.115 120.104 120.200 0.031 0.000 2.107 1031 E HA -0.091 4.260 4.350 0.002 0.000 0.191 1031 E C 2.386 179.022 176.600 0.060 0.000 0.982 1031 E CA 1.084 57.516 56.400 0.054 0.000 0.809 1031 E CB -0.978 28.765 29.700 0.072 0.000 0.756 1031 E HN 0.163 nan 8.360 nan 0.000 0.459 1032 S N -0.054 115.668 115.700 0.037 0.000 2.338 1032 S HA -0.140 4.330 4.470 0.002 0.000 0.218 1032 S C 2.110 176.738 174.600 0.046 0.000 1.032 1032 S CA 1.196 59.416 58.200 0.032 0.000 0.999 1032 S CB -0.490 62.717 63.200 0.012 0.000 0.905 1032 S HN 0.326 nan 8.310 nan 0.000 0.439 1033 A N 2.276 125.117 122.820 0.036 0.000 1.915 1033 A HA -0.236 4.085 4.320 0.002 0.000 0.220 1033 A C 2.241 179.855 177.584 0.049 0.000 1.198 1033 A CA 1.951 54.010 52.037 0.038 0.000 0.647 1033 A CB -0.825 18.191 19.000 0.027 0.000 0.825 1033 A HN 0.621 nan 8.150 nan 0.000 0.456 1034 R N -1.481 119.046 120.500 0.045 0.000 2.073 1034 R HA -0.126 4.215 4.340 0.002 0.000 0.234 1034 R C 2.130 178.483 176.300 0.089 0.000 1.134 1034 R CA 1.610 57.737 56.100 0.046 0.000 0.952 1034 R CB -0.620 29.691 30.300 0.018 0.000 0.850 1034 R HN 0.576 nan 8.270 nan 0.000 0.433 1035 I N 1.113 121.749 120.570 0.109 0.000 2.252 1035 I HA -0.182 3.989 4.170 0.002 0.000 0.245 1035 I C 1.988 178.213 176.117 0.179 0.000 1.102 1035 I CA 1.307 62.708 61.300 0.169 0.000 1.385 1035 I CB -0.015 38.096 38.000 0.185 0.000 1.064 1035 I HN 0.073 nan 8.210 nan 0.000 0.414 1036 I N 0.320 120.963 120.570 0.120 0.000 2.394 1036 I HA -0.218 3.953 4.170 0.002 0.000 0.251 1036 I C 2.552 178.728 176.117 0.099 0.000 1.136 1036 I CA 1.074 62.431 61.300 0.095 0.000 1.425 1036 I CB -0.734 37.307 38.000 0.068 0.000 1.079 1036 I HN 0.237 nan 8.210 nan 0.000 0.425 1037 A N 0.963 123.849 122.820 0.110 0.000 1.902 1037 A HA -0.232 4.089 4.320 0.002 0.000 0.217 1037 A C 2.215 179.901 177.584 0.169 0.000 1.181 1037 A CA 1.437 53.539 52.037 0.109 0.000 0.623 1037 A CB -0.835 18.212 19.000 0.080 0.000 0.818 1037 A HN 0.421 nan 8.150 nan 0.000 0.443 1038 F N 0.777 120.740 119.950 0.021 0.000 2.060 1038 F HA -0.099 4.429 4.527 0.001 0.000 0.295 1038 F C 2.030 177.887 175.800 0.095 0.000 1.120 1038 F CA 1.464 59.482 58.000 0.030 0.000 1.205 1038 F CB -0.522 38.461 39.000 -0.030 0.000 0.986 1038 F HN 0.169 nan 8.300 nan 0.000 0.470 1039 I N -0.286 120.293 120.570 0.014 0.000 2.145 1039 I HA -0.400 3.771 4.170 0.002 0.000 0.244 1039 I C 2.484 178.524 176.117 -0.130 0.000 1.075 1039 I CA 1.698 62.922 61.300 -0.128 0.000 1.332 1039 I CB -0.926 37.078 38.000 0.007 0.000 1.033 1039 I HN 0.121 nan 8.210 nan 0.000 0.410 1040 S N -0.244 115.436 115.700 -0.032 0.000 2.383 1040 S HA -0.263 4.208 4.470 0.002 0.000 0.229 1040 S C 1.556 176.149 174.600 -0.012 0.000 1.030 1040 S CA 1.607 59.785 58.200 -0.036 0.000 1.002 1040 S CB -0.491 62.723 63.200 0.023 0.000 0.829 1040 S HN 0.614 nan 8.310 nan 0.000 0.467 1041 W N 2.069 123.274 121.300 -0.158 0.000 2.363 1041 W HA -0.026 4.635 4.660 0.001 0.000 0.296 1041 W C 1.584 177.988 176.519 -0.191 0.000 1.212 1041 W CA 0.822 58.082 57.345 -0.143 0.000 1.260 1041 W CB -0.483 28.911 29.460 -0.110 0.000 1.131 1041 W HN 0.199 nan 8.180 nan 0.000 0.530 1042 L N 1.000 122.061 121.223 -0.270 0.000 1.994 1042 L HA -0.245 4.096 4.340 0.002 0.000 0.208 1042 L C 2.807 179.466 176.870 -0.351 0.000 1.071 1042 L CA 2.341 56.918 54.840 -0.438 0.000 0.745 1042 L CB -0.951 40.867 42.059 -0.402 0.000 0.892 1042 L HN 0.004 nan 8.230 nan 0.000 0.431 1043 R N -0.208 120.117 120.500 -0.291 0.000 2.237 1043 R HA -0.118 4.223 4.340 0.002 0.000 0.219 1043 R C 1.652 177.817 176.300 -0.226 0.000 1.080 1043 R CA 0.997 56.930 56.100 -0.278 0.000 0.995 1043 R CB -0.497 29.530 30.300 -0.456 0.000 0.875 1043 R HN 0.415 nan 8.270 nan 0.000 0.462 1044 E N 0.983 121.043 120.200 -0.235 0.000 2.427 1044 E HA -0.044 4.306 4.350 0.002 0.000 0.196 1044 E C 0.846 177.327 176.600 -0.198 0.000 1.028 1044 E CA 0.318 56.613 56.400 -0.175 0.000 0.864 1044 E CB 0.312 29.931 29.700 -0.135 0.000 0.813 1044 E HN 0.314 nan 8.360 nan 0.000 0.514 1045 Q N 0.910 120.541 119.800 -0.282 0.000 2.225 1045 Q HA 0.098 4.439 4.340 0.002 0.000 0.222 1045 Q C -0.150 175.809 176.000 -0.069 0.000 0.887 1045 Q CA 0.200 55.852 55.803 -0.250 0.000 0.958 1045 Q CB 0.050 28.538 28.738 -0.417 0.000 1.058 1045 Q HN 0.261 nan 8.270 nan 0.000 0.459 1046 R N -1.765 118.718 120.500 -0.028 0.000 2.753 1046 R HA 0.277 4.618 4.340 0.002 0.000 0.272 1046 R C -2.756 173.569 176.300 0.043 0.000 1.034 1046 R CA -0.982 55.160 56.100 0.070 0.000 0.869 1046 R CB 0.255 30.604 30.300 0.082 0.000 1.264 1046 R HN -0.271 nan 8.270 nan 0.000 0.481 1047 P HA 0.053 nan 4.420 nan 0.000 0.224 1047 P C 0.180 177.521 177.300 0.068 0.000 1.159 1047 P CA 0.615 63.730 63.100 0.025 0.000 0.824 1047 P CB 0.360 32.045 31.700 -0.026 0.000 0.833 1048 F N 1.389 121.347 119.950 0.015 0.000 2.651 1048 F HA 0.169 4.697 4.527 0.002 0.000 0.347 1048 F C 0.743 176.617 175.800 0.123 0.000 1.284 1048 F CA -1.233 56.797 58.000 0.051 0.000 1.175 1048 F CB -0.595 38.365 39.000 -0.066 0.000 1.542 1048 F HN -0.183 nan 8.300 nan 0.000 0.661 1049 F N 7.365 127.449 119.950 0.224 0.000 2.460 1049 F HA -0.035 4.493 4.527 0.001 0.000 0.413 1049 F C -1.849 174.025 175.800 0.124 0.000 0.967 1049 F CA -1.727 56.356 58.000 0.138 0.000 1.122 1049 F CB 0.241 39.315 39.000 0.124 0.000 0.927 1049 F HN 0.183 nan 8.300 nan 0.000 0.527 1050 P HA 0.230 nan 4.420 nan 0.000 0.292 1050 P C -0.606 176.963 177.300 0.449 0.000 1.287 1050 P CA -0.372 62.908 63.100 0.300 0.000 0.800 1050 P CB 1.549 33.305 31.700 0.094 0.000 0.945 1051 I N 3.532 124.334 120.570 0.386 0.000 3.138 1051 I HA 0.215 4.386 4.170 0.002 0.000 0.288 1051 I C 0.827 177.115 176.117 0.285 0.000 1.148 1051 I CA -0.208 61.314 61.300 0.369 0.000 1.315 1051 I CB -0.096 38.063 38.000 0.266 0.000 1.426 1051 I HN 0.328 nan 8.210 nan 0.000 0.615 1052 L N 4.653 126.042 121.223 0.275 0.000 2.431 1052 L HA 0.663 5.004 4.340 0.002 0.000 0.266 1052 L C -1.790 175.233 176.870 0.256 0.000 0.978 1052 L CA -0.587 54.367 54.840 0.189 0.000 0.822 1052 L CB 1.744 43.894 42.059 0.151 0.000 1.310 1052 L HN 0.602 nan 8.230 nan 0.000 0.409 1053 Y N 2.499 122.870 120.300 0.118 0.000 2.470 1053 Y HA 0.618 5.168 4.550 0.001 0.000 0.341 1053 Y C -0.769 175.178 175.900 0.079 0.000 1.021 1053 Y CA -1.124 57.027 58.100 0.085 0.000 1.025 1053 Y CB 1.138 39.640 38.460 0.071 0.000 1.266 1053 Y HN 0.197 nan 8.280 nan 0.000 0.448 1054 V N 4.157 124.193 119.914 0.202 0.000 3.608 1054 V HA -0.082 4.039 4.120 0.002 0.000 0.269 1054 V C 1.968 178.128 176.094 0.111 0.000 1.245 1054 V CA 0.711 63.073 62.300 0.103 0.000 1.138 1054 V CB -0.687 31.171 31.823 0.058 0.000 0.841 1054 V HN 0.973 nan 8.190 nan 0.000 0.451 1055 I N 1.569 122.274 120.570 0.225 0.000 2.450 1055 I HA -0.270 3.901 4.170 0.002 0.000 0.260 1055 I C 1.739 177.932 176.117 0.127 0.000 1.145 1055 I CA 1.224 62.616 61.300 0.153 0.000 1.413 1055 I CB -0.608 37.488 38.000 0.160 0.000 1.090 1055 I HN 0.314 nan 8.210 nan 0.000 0.445 1056 A N 1.923 124.835 122.820 0.154 0.000 2.898 1056 A HA 0.006 4.327 4.320 0.002 0.000 0.288 1056 A C 0.259 177.788 177.584 -0.092 0.000 1.771 1056 A CA 0.354 52.435 52.037 0.073 0.000 1.383 1056 A CB -0.664 18.313 19.000 -0.038 0.000 1.028 1056 A HN 0.219 nan 8.150 nan 0.000 0.595 1057 D N 0.155 120.523 120.400 -0.053 0.000 2.487 1057 D HA 0.179 4.820 4.640 0.002 0.000 0.262 1057 D C 0.568 176.867 176.300 -0.002 0.000 1.130 1057 D CA -0.410 53.522 54.000 -0.114 0.000 1.038 1057 D CB 0.932 41.654 40.800 -0.130 0.000 1.142 1057 D HN 0.558 nan 8.370 nan 0.000 0.575 1058 E N -0.784 119.492 120.200 0.126 0.000 2.403 1058 E HA 0.048 4.399 4.350 0.002 0.000 0.188 1058 E C -0.313 176.401 176.600 0.190 0.000 1.056 1058 E CA -0.028 56.501 56.400 0.214 0.000 0.892 1058 E CB 0.039 29.853 29.700 0.190 0.000 1.049 1058 E HN 0.307 nan 8.360 nan 0.000 0.465 1059 S N -1.072 114.711 115.700 0.139 0.000 2.586 1059 S HA 0.152 4.623 4.470 0.002 0.000 0.218 1059 S C -2.000 172.632 174.600 0.054 0.000 0.761 1059 S CA -0.707 57.552 58.200 0.098 0.000 0.999 1059 S CB 0.415 63.674 63.200 0.099 0.000 1.634 1059 S HN 0.099 nan 8.310 nan 0.000 0.482 1060 P HA 0.385 nan 4.420 nan 0.000 0.267 1060 P C 0.542 177.863 177.300 0.035 0.000 1.289 1060 P CA -0.029 63.087 63.100 0.027 0.000 0.866 1060 P CB -0.256 31.463 31.700 0.030 0.000 1.309 1061 M N -0.603 119.030 119.600 0.055 0.000 2.576 1061 M HA -0.211 4.270 4.480 0.002 0.000 0.200 1061 M C -0.188 176.146 176.300 0.056 0.000 0.487 1061 M CA 1.211 56.540 55.300 0.048 0.000 0.553 1061 M CB -2.046 30.566 32.600 0.019 0.000 2.042 1061 M HN 0.060 nan 8.290 nan 0.000 0.758 1062 K N -0.881 119.576 120.400 0.094 0.000 2.644 1062 K HA 0.447 4.768 4.320 0.002 0.000 0.198 1062 K C 0.526 177.250 176.600 0.207 0.000 1.113 1062 K CA 0.305 56.667 56.287 0.124 0.000 1.073 1062 K CB 1.063 33.623 32.500 0.099 0.000 0.811 1062 K HN 0.334 nan 8.250 nan 0.000 0.508 1063 A N 2.121 125.057 122.820 0.193 0.000 3.029 1063 A HA 0.020 4.341 4.320 0.002 0.000 0.251 1063 A C 0.589 178.305 177.584 0.221 0.000 1.749 1063 A CA -0.183 52.006 52.037 0.253 0.000 1.386 1063 A CB -1.012 18.133 19.000 0.240 0.000 1.043 1063 A HN 0.487 nan 8.150 nan 0.000 0.638 1064 N N -1.012 117.824 118.700 0.227 0.000 2.336 1064 N HA -0.027 4.714 4.740 0.002 0.000 0.189 1064 N C 0.870 176.485 175.510 0.174 0.000 1.113 1064 N CA 0.076 53.222 53.050 0.160 0.000 0.858 1064 N CB -0.473 38.100 38.487 0.143 0.000 0.970 1064 N HN 0.421 nan 8.380 nan 0.000 0.471 1065 F N 1.593 121.588 119.950 0.076 0.000 2.095 1065 F HA 0.001 4.529 4.527 0.001 0.000 0.298 1065 F C 1.591 177.367 175.800 -0.040 0.000 1.104 1065 F CA 1.377 59.398 58.000 0.036 0.000 1.232 1065 F CB -0.145 38.914 39.000 0.098 0.000 0.987 1065 F HN 0.034 nan 8.300 nan 0.000 0.475 1066 L N 0.040 121.314 121.223 0.084 0.000 2.187 1066 L HA -0.253 4.088 4.340 0.002 0.000 0.213 1066 L C 2.327 179.121 176.870 -0.127 0.000 1.100 1066 L CA 1.239 56.032 54.840 -0.078 0.000 0.765 1066 L CB -0.998 41.065 42.059 0.007 0.000 0.904 1066 L HN 0.272 nan 8.230 nan 0.000 0.437 1067 Q N -0.040 119.716 119.800 -0.073 0.000 2.364 1067 Q HA -0.144 4.197 4.340 0.002 0.000 0.209 1067 Q C 1.373 177.292 176.000 -0.135 0.000 0.977 1067 Q CA 0.812 56.569 55.803 -0.077 0.000 0.885 1067 Q CB -0.075 28.644 28.738 -0.031 0.000 0.941 1067 Q HN 0.547 nan 8.270 nan 0.000 0.464 1068 N N -0.457 118.110 118.700 -0.221 0.000 2.353 1068 N HA 0.033 4.773 4.740 0.002 0.000 0.185 1068 N C 0.071 175.391 175.510 -0.317 0.000 1.098 1068 N CA 0.337 53.221 53.050 -0.276 0.000 0.872 1068 N CB 0.419 38.703 38.487 -0.338 0.000 0.970 1068 N HN 0.218 nan 8.380 nan 0.000 0.467 1069 M N 1.896 121.317 119.600 -0.299 0.000 3.709 1069 M HA 0.077 4.558 4.480 0.002 0.000 0.197 1069 M C 1.186 177.371 176.300 -0.193 0.000 1.511 1069 M CA -0.101 55.038 55.300 -0.269 0.000 1.688 1069 M CB -1.250 31.202 32.600 -0.247 0.000 1.109 1069 M HN 0.067 nan 8.290 nan 0.000 0.561 1070 I N -1.116 119.333 120.570 -0.201 0.000 2.761 1070 I HA -0.206 3.965 4.170 0.002 0.000 0.266 1070 I C 1.365 177.430 176.117 -0.088 0.000 1.239 1070 I CA 1.754 62.970 61.300 -0.139 0.000 1.451 1070 I CB -0.551 37.369 38.000 -0.133 0.000 1.096 1070 I HN 0.428 nan 8.210 nan 0.000 0.465 1071 E N 0.755 120.901 120.200 -0.089 0.000 2.478 1071 E HA 0.022 4.373 4.350 0.002 0.000 0.194 1071 E C 0.035 176.650 176.600 0.025 0.000 1.045 1071 E CA 0.044 56.436 56.400 -0.014 0.000 0.868 1071 E CB 0.089 29.754 29.700 -0.059 0.000 0.885 1071 E HN 0.646 nan 8.360 nan 0.000 0.505 1072 D N 0.976 121.360 120.400 -0.027 0.000 2.387 1072 D HA 0.144 4.785 4.640 0.002 0.000 0.255 1072 D C 0.355 176.651 176.300 -0.007 0.000 1.081 1072 D CA -0.405 53.586 54.000 -0.016 0.000 0.994 1072 D CB 0.848 41.616 40.800 -0.052 0.000 1.127 1072 D HN 0.036 nan 8.370 nan 0.000 0.513 1073 R N -1.150 119.351 120.500 0.002 0.000 2.528 1073 R HA 0.677 5.018 4.340 0.002 0.000 0.271 1073 R C -0.163 176.130 176.300 -0.013 0.000 1.056 1073 R CA -0.609 55.493 56.100 0.003 0.000 1.117 1073 R CB 0.867 31.180 30.300 0.020 0.000 1.085 1073 R HN 0.249 nan 8.270 nan 0.000 0.530 1074 T N -0.435 114.111 114.554 -0.013 0.000 2.896 1074 T HA 0.114 4.465 4.350 0.002 0.000 0.297 1074 T C 0.378 175.074 174.700 -0.006 0.000 1.108 1074 T CA -0.631 61.459 62.100 -0.016 0.000 1.004 1074 T CB 1.833 70.685 68.868 -0.026 0.000 1.159 1074 T HN 0.771 nan 8.240 nan 0.000 0.499 1075 E N 0.747 120.945 120.200 -0.004 0.000 2.273 1075 E HA -0.079 4.272 4.350 0.002 0.000 0.198 1075 E C 1.492 178.101 176.600 0.014 0.000 1.002 1075 E CA 1.774 58.178 56.400 0.007 0.000 0.828 1075 E CB 0.071 29.776 29.700 0.008 0.000 0.747 1075 E HN 0.547 nan 8.360 nan 0.000 0.491 1076 S N -2.441 113.265 115.700 0.009 0.000 2.730 1076 S HA 0.671 5.142 4.470 0.002 0.000 0.244 1076 S C 0.235 174.831 174.600 -0.005 0.000 1.022 1076 S CA -0.166 58.041 58.200 0.012 0.000 1.014 1076 S CB 1.035 64.251 63.200 0.028 0.000 0.963 1076 S HN 0.170 nan 8.310 nan 0.000 0.540 1077 A N 1.034 123.845 122.820 -0.016 0.000 2.587 1077 A HA 0.758 5.079 4.320 0.002 0.000 0.293 1077 A C -0.769 176.798 177.584 -0.029 0.000 1.087 1077 A CA -0.916 51.099 52.037 -0.037 0.000 0.692 1077 A CB 0.824 19.790 19.000 -0.058 0.000 1.291 1077 A HN 0.315 nan 8.150 nan 0.000 0.407 1078 L N 1.142 122.341 121.223 -0.041 0.000 2.468 1078 L HA 0.495 4.835 4.340 0.002 0.000 0.254 1078 L C 1.205 178.079 176.870 0.007 0.000 1.171 1078 L CA -0.434 54.407 54.840 0.001 0.000 0.809 1078 L CB 1.133 43.215 42.059 0.038 0.000 1.155 1078 L HN 0.935 nan 8.230 nan 0.000 0.473 1079 S N -0.995 114.742 115.700 0.062 0.000 2.713 1079 S HA 0.139 4.610 4.470 0.002 0.000 0.277 1079 S C 0.696 175.399 174.600 0.172 0.000 1.168 1079 S CA -0.464 57.793 58.200 0.096 0.000 0.994 1079 S CB 0.633 63.902 63.200 0.114 0.000 1.054 1079 S HN 0.554 nan 8.310 nan 0.000 0.555 1080 Y N 0.612 120.965 120.300 0.088 0.000 2.114 1080 Y HA -0.136 4.414 4.550 0.001 0.000 0.284 1080 Y C 2.277 178.297 175.900 0.199 0.000 1.143 1080 Y CA 1.779 59.962 58.100 0.137 0.000 1.135 1080 Y CB -1.071 37.452 38.460 0.104 0.000 0.980 1080 Y HN 0.812 nan 8.280 nan 0.000 0.499 1081 Y N 1.425 121.692 120.300 -0.055 0.000 2.165 1081 Y HA -0.242 4.309 4.550 0.001 0.000 0.286 1081 Y C 2.398 178.247 175.900 -0.085 0.000 1.155 1081 Y CA 2.315 60.325 58.100 -0.150 0.000 1.164 1081 Y CB -0.486 37.953 38.460 -0.035 0.000 0.978 1081 Y HN 0.300 nan 8.280 nan 0.000 0.513 1082 E N -1.237 119.016 120.200 0.088 0.000 2.118 1082 E HA -0.238 4.113 4.350 0.002 0.000 0.195 1082 E C 1.948 178.580 176.600 0.054 0.000 0.992 1082 E CA 1.217 57.647 56.400 0.048 0.000 0.804 1082 E CB -0.384 29.373 29.700 0.096 0.000 0.741 1082 E HN 0.458 nan 8.360 nan 0.000 0.458 1083 F N 1.154 121.028 119.950 -0.126 0.000 2.098 1083 F HA -0.089 4.439 4.527 0.001 0.000 0.294 1083 F C 2.037 177.725 175.800 -0.186 0.000 1.107 1083 F CA 0.962 58.881 58.000 -0.135 0.000 1.234 1083 F CB -0.518 38.424 39.000 -0.097 0.000 1.002 1083 F HN -0.086 nan 8.300 nan 0.000 0.472 1084 L N -0.524 120.512 121.223 -0.312 0.000 1.997 1084 L HA -0.296 4.045 4.340 0.002 0.000 0.216 1084 L C 2.501 179.134 176.870 -0.395 0.000 1.074 1084 L CA 1.164 55.730 54.840 -0.458 0.000 0.763 1084 L CB -0.879 40.828 42.059 -0.586 0.000 0.890 1084 L HN 0.196 nan 8.230 nan 0.000 0.434 1085 L N -0.618 120.351 121.223 -0.424 0.000 2.043 1085 L HA -0.315 4.026 4.340 0.002 0.000 0.212 1085 L C 2.694 179.439 176.870 -0.207 0.000 1.075 1085 L CA 1.937 56.562 54.840 -0.359 0.000 0.752 1085 L CB -0.959 40.884 42.059 -0.360 0.000 0.891 1085 L HN 0.368 nan 8.230 nan 0.000 0.432 1086 H N -0.426 118.496 119.070 -0.246 0.000 2.299 1086 H HA -0.134 4.422 4.556 0.001 0.000 0.302 1086 H C 2.349 177.523 175.328 -0.258 0.000 1.078 1086 H CA 2.286 58.214 56.048 -0.201 0.000 1.323 1086 H CB -0.071 29.606 29.762 -0.141 0.000 1.381 1086 H HN 0.333 nan 8.280 nan 0.000 0.498 1087 I N 1.115 121.575 120.570 -0.184 0.000 2.087 1087 I HA -0.380 3.791 4.170 0.002 0.000 0.240 1087 I C 2.986 178.961 176.117 -0.237 0.000 1.054 1087 I CA 1.967 63.113 61.300 -0.256 0.000 1.311 1087 I CB -0.623 37.139 38.000 -0.397 0.000 1.024 1087 I HN 0.376 nan 8.210 nan 0.000 0.402 1088 Q N 0.813 120.476 119.800 -0.229 0.000 2.173 1088 Q HA -0.333 4.008 4.340 0.002 0.000 0.208 1088 Q C 2.253 178.148 176.000 -0.176 0.000 0.989 1088 Q CA 2.123 57.817 55.803 -0.182 0.000 0.872 1088 Q CB -0.225 28.406 28.738 -0.179 0.000 0.909 1088 Q HN 0.546 nan 8.270 nan 0.000 0.420 1089 Q N -0.905 118.765 119.800 -0.216 0.000 2.226 1089 Q HA -0.185 4.156 4.340 0.002 0.000 0.204 1089 Q C 1.827 177.701 176.000 -0.210 0.000 0.975 1089 Q CA 1.242 56.919 55.803 -0.210 0.000 0.866 1089 Q CB 0.237 28.826 28.738 -0.249 0.000 0.915 1089 Q HN 0.478 nan 8.270 nan 0.000 0.440 1090 Q N -0.939 118.713 119.800 -0.246 0.000 2.297 1090 Q HA -0.006 4.335 4.340 0.002 0.000 0.203 1090 Q C 2.178 178.105 176.000 -0.120 0.000 0.931 1090 Q CA 0.534 56.223 55.803 -0.191 0.000 0.885 1090 Q CB 0.326 28.932 28.738 -0.219 0.000 0.991 1090 Q HN 0.248 nan 8.270 nan 0.000 0.498 1091 V N 2.778 122.621 119.914 -0.117 0.000 2.392 1091 V HA -0.272 3.848 4.120 0.002 0.000 0.249 1091 V C 1.120 177.177 176.094 -0.061 0.000 1.059 1091 V CA 2.215 64.470 62.300 -0.075 0.000 1.051 1091 V CB -0.563 31.215 31.823 -0.075 0.000 0.658 1091 V HN 0.542 nan 8.190 nan 0.000 0.455 1092 N N -0.460 118.196 118.700 -0.074 0.000 2.234 1092 N HA 0.098 4.839 4.740 0.002 0.000 0.227 1092 N C 0.485 175.958 175.510 -0.060 0.000 1.151 1092 N CA -0.385 52.629 53.050 -0.060 0.000 0.865 1092 N CB -0.189 38.262 38.487 -0.059 0.000 1.066 1092 N HN 0.625 nan 8.380 nan 0.000 0.515 1093 K N 0.000 120.358 120.400 -0.070 0.000 2.780 1093 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1093 K CA 0.000 56.248 56.287 -0.066 0.000 0.838 1093 K CB 0.000 32.458 32.500 -0.070 0.000 1.064 1093 K HN 0.000 nan 8.250 nan 0.000 0.543