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 2wq6_1_A DATA FIRST_RESID 2 DATA SEQUENCE DSQRSTLVHW FRKGLRLHDN PALSHIFTAA NAAPGRYFVR PIFILDPGIL DATA SEQUENCE DWMQVGANRW RFLQQTLEDL DNQLRKLNSR LFVVRGKPAE VFPRIFKSWR DATA SEQUENCE VEMLTFETDI EPYSVTRDAA VQKLAKAEGV RVETHCSHTI YNPELVIAKN DATA SEQUENCE LGKAPITYQK FLGIVEQLKV PKVLGVPEKL KNMPTPPKDE VEQKDSAAYD DATA SEQUENCE CPTMKQLVKR PEELGPNKFP GGETEALRRM EESLKDEIWV ARFEKPNTAP DATA SEQUENCE NSLEPSTTVL SPYLKFGCLS ARLFNQKLKE IIKRQPKHSQ PPVSLIGQLM DATA SEQUENCE WREFYYTVAA AEPNFDRMLG NVYCMQIPWQ EHPDHLEAWT HGRTGYPFID DATA SEQUENCE AIMRQLRQEG WIHHLARHAV ACFLTRGDLW ISWEEGQRVF EQLLLDQDWA DATA SEQUENCE LNAGNWMWLS ASAFFHQYFR VYSPVAFGKK TDPQGHYIRK YVPELSKYPA DATA SEQUENCE GCIYEPWKAS LVDQRAYGCV LGTDYPHRIV KHEVVHKENI KRMGAAYKVN DATA SEQUENCE REVRTGKE 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.368 176.300 0.113 0.000 2.045 2 D CA 0.000 54.018 54.000 0.030 0.000 0.868 2 D CB 0.000 40.869 40.800 0.115 0.000 0.688 3 S N -0.590 115.155 115.700 0.076 0.000 2.593 3 S HA 0.056 4.512 4.470 -0.023 0.000 0.217 3 S C 1.274 175.915 174.600 0.069 0.000 0.966 3 S CA 0.242 58.497 58.200 0.092 0.000 0.914 3 S CB 0.246 63.483 63.200 0.061 0.000 0.776 3 S HN 0.133 nan 8.310 nan 0.000 0.523 4 Q N 0.333 120.147 119.800 0.023 0.000 2.194 4 Q HA 0.286 4.612 4.340 -0.023 0.000 0.214 4 Q C -0.002 175.972 176.000 -0.044 0.000 0.838 4 Q CA -0.287 55.513 55.803 -0.006 0.000 0.972 4 Q CB 0.634 29.352 28.738 -0.033 0.000 1.131 4 Q HN 0.449 nan 8.270 nan 0.000 0.498 5 R N 0.494 120.951 120.500 -0.073 0.000 2.641 5 R HA 0.290 4.617 4.340 -0.023 0.000 0.269 5 R C -0.134 176.170 176.300 0.005 0.000 1.074 5 R CA 0.127 56.119 56.100 -0.179 0.000 1.133 5 R CB 0.970 30.918 30.300 -0.588 0.000 1.029 5 R HN -0.038 nan 8.270 nan 0.000 0.488 6 S N 0.045 115.760 115.700 0.025 0.000 2.687 6 S HA 0.309 4.765 4.470 -0.023 0.000 0.283 6 S C -0.289 174.498 174.600 0.311 0.000 1.170 6 S CA -0.484 57.833 58.200 0.195 0.000 1.008 6 S CB 1.835 65.180 63.200 0.242 0.000 1.026 6 S HN 0.427 nan 8.310 nan 0.000 0.541 7 T N 2.515 117.248 114.554 0.297 0.000 2.797 7 T HA 0.486 4.823 4.350 -0.023 0.000 0.279 7 T C -0.619 174.193 174.700 0.188 0.000 0.991 7 T CA -0.443 61.822 62.100 0.275 0.000 0.979 7 T CB 0.327 69.371 68.868 0.294 0.000 0.943 7 T HN 0.328 nan 8.240 nan 0.000 0.444 8 L N 3.509 124.785 121.223 0.088 0.000 2.275 8 L HA 0.657 4.983 4.340 -0.023 0.000 0.288 8 L C -0.453 176.499 176.870 0.137 0.000 1.046 8 L CA -0.967 53.884 54.840 0.018 0.000 0.805 8 L CB 1.155 43.113 42.059 -0.168 0.000 1.193 8 L HN 0.278 nan 8.230 nan 0.000 0.426 9 V N 1.755 121.800 119.914 0.217 0.000 2.495 9 V HA 0.318 4.425 4.120 -0.023 0.000 0.298 9 V C -0.761 175.540 176.094 0.345 0.000 1.031 9 V CA -0.677 61.812 62.300 0.315 0.000 0.871 9 V CB 1.734 33.808 31.823 0.419 0.000 0.988 9 V HN 0.675 nan 8.190 nan 0.000 0.432 10 H N 3.690 122.914 119.070 0.256 0.000 2.466 10 H HA 0.495 5.038 4.556 -0.023 0.000 0.338 10 H C -1.520 173.974 175.328 0.276 0.000 1.091 10 H CA -0.606 55.559 56.048 0.195 0.000 1.207 10 H CB 1.167 30.943 29.762 0.024 0.000 1.466 10 H HN 0.698 nan 8.280 nan 0.000 0.493 11 W N 7.827 128.819 121.300 -0.515 0.000 2.294 11 W HA 0.336 4.982 4.660 -0.022 0.000 0.314 11 W C -1.774 174.510 176.519 -0.391 0.000 1.044 11 W CA -1.844 55.359 57.345 -0.236 0.000 1.284 11 W CB 0.034 29.546 29.460 0.086 0.000 1.231 11 W HN 0.497 nan 8.180 nan 0.000 0.419 12 F N 6.785 126.817 119.950 0.137 0.000 2.445 12 F HA 0.290 4.803 4.527 -0.022 0.000 0.359 12 F C 1.098 176.923 175.800 0.041 0.000 1.101 12 F CA -0.056 58.051 58.000 0.178 0.000 1.177 12 F CB 0.969 40.251 39.000 0.469 0.000 1.110 12 F HN 0.332 nan 8.300 nan 0.000 0.522 13 R N 1.366 121.910 120.500 0.072 0.000 2.342 13 R HA 0.290 4.617 4.340 -0.023 0.000 0.179 13 R C 0.107 176.552 176.300 0.242 0.000 0.989 13 R CA 0.097 56.186 56.100 -0.018 0.000 1.125 13 R CB 0.157 30.199 30.300 -0.429 0.000 1.211 13 R HN 0.378 nan 8.270 nan 0.000 0.568 14 K N -0.921 119.567 120.400 0.147 0.000 2.296 14 K HA 0.497 4.803 4.320 -0.023 0.000 0.243 14 K C -0.207 176.565 176.600 0.287 0.000 1.082 14 K CA -0.394 56.006 56.287 0.189 0.000 0.929 14 K CB 1.260 33.725 32.500 -0.059 0.000 1.353 14 K HN 0.264 nan 8.250 nan 0.000 0.536 15 G N 1.292 110.273 108.800 0.301 0.000 2.323 15 G HA2 -0.229 3.717 3.960 -0.023 0.000 0.292 15 G HA3 -0.229 3.717 3.960 -0.023 0.000 0.292 15 G C -0.171 174.964 174.900 0.391 0.000 1.040 15 G CA 0.070 45.359 45.100 0.315 0.000 0.942 15 G HN 0.334 nan 8.290 nan 0.000 0.506 16 L N 0.569 121.974 121.223 0.304 0.000 2.437 16 L HA 0.380 4.706 4.340 -0.023 0.000 0.243 16 L C 1.262 178.157 176.870 0.041 0.000 1.346 16 L CA -0.029 54.889 54.840 0.130 0.000 1.233 16 L CB -0.477 41.619 42.059 0.063 0.000 1.436 16 L HN 0.630 nan 8.230 nan 0.000 0.416 17 R N -0.119 120.435 120.500 0.091 0.000 2.710 17 R HA 0.484 4.811 4.340 -0.023 0.000 0.270 17 R C -0.312 176.008 176.300 0.033 0.000 1.021 17 R CA -1.028 55.064 56.100 -0.013 0.000 0.889 17 R CB 1.179 31.352 30.300 -0.211 0.000 1.243 17 R HN 0.023 nan 8.270 nan 0.000 0.464 18 L N 0.388 121.605 121.223 -0.011 0.000 2.253 18 L HA 0.112 4.438 4.340 -0.023 0.000 0.205 18 L C 1.129 177.973 176.870 -0.043 0.000 1.078 18 L CA 0.091 54.918 54.840 -0.021 0.000 0.805 18 L CB -0.473 41.567 42.059 -0.031 0.000 0.963 18 L HN 0.707 nan 8.230 nan 0.000 0.459 19 H N 0.254 119.321 119.070 -0.005 0.000 2.771 19 H HA -0.053 4.489 4.556 -0.023 0.000 0.364 19 H C -0.327 175.004 175.328 0.006 0.000 1.133 19 H CA -0.007 56.035 56.048 -0.009 0.000 1.423 19 H CB 0.498 30.258 29.762 -0.004 0.000 1.425 19 H HN 0.089 nan 8.280 nan 0.000 0.606 20 D N 0.954 121.421 120.400 0.111 0.000 2.740 20 D HA -0.243 4.384 4.640 -0.023 0.000 0.231 20 D C -0.880 175.397 176.300 -0.038 0.000 1.194 20 D CA 0.780 54.812 54.000 0.053 0.000 0.673 20 D CB -1.179 39.707 40.800 0.143 0.000 0.995 20 D HN 0.712 nan 8.370 nan 0.000 0.411 21 N N 0.945 119.605 118.700 -0.068 0.000 2.690 21 N HA 0.286 5.013 4.740 -0.023 0.000 0.255 21 N C -2.188 173.216 175.510 -0.175 0.000 1.195 21 N CA -1.837 51.147 53.050 -0.109 0.000 0.790 21 N CB 1.386 39.807 38.487 -0.111 0.000 1.216 21 N HN -0.021 nan 8.380 nan 0.000 0.528 22 P HA -0.079 nan 4.420 nan 0.000 0.215 22 P C 1.130 178.008 177.300 -0.703 0.000 1.157 22 P CA 1.350 64.204 63.100 -0.410 0.000 0.868 22 P CB 0.293 31.653 31.700 -0.567 0.000 0.788 23 A N -0.764 121.574 122.820 -0.804 0.000 1.917 23 A HA -0.210 4.096 4.320 -0.023 0.000 0.219 23 A C 2.178 179.623 177.584 -0.231 0.000 1.182 23 A CA 1.800 53.577 52.037 -0.434 0.000 0.633 23 A CB -1.668 17.362 19.000 0.050 0.000 0.819 23 A HN 0.182 nan 8.150 nan 0.000 0.448 24 L N -0.690 120.264 121.223 -0.450 0.000 2.068 24 L HA 0.010 4.336 4.340 -0.023 0.000 0.204 24 L C 2.533 179.352 176.870 -0.086 0.000 1.076 24 L CA 2.387 56.929 54.840 -0.497 0.000 0.753 24 L CB -0.689 40.986 42.059 -0.640 0.000 0.910 24 L HN 0.256 nan 8.230 nan 0.000 0.439 25 S N -1.100 114.556 115.700 -0.073 0.000 2.382 25 S HA -0.219 4.237 4.470 -0.023 0.000 0.228 25 S C 1.861 176.558 174.600 0.162 0.000 1.027 25 S CA 1.360 59.583 58.200 0.039 0.000 0.991 25 S CB -0.510 62.708 63.200 0.030 0.000 0.823 25 S HN 0.598 nan 8.310 nan 0.000 0.469 26 H N 1.135 120.189 119.070 -0.027 0.000 2.352 26 H HA 0.010 4.553 4.556 -0.022 0.000 0.299 26 H C 2.055 177.414 175.328 0.051 0.000 1.097 26 H CA 1.212 57.271 56.048 0.017 0.000 1.311 26 H CB -0.354 29.422 29.762 0.024 0.000 1.377 26 H HN 0.249 nan 8.280 nan 0.000 0.504 27 I N -0.320 120.376 120.570 0.211 0.000 2.179 27 I HA -0.272 3.885 4.170 -0.023 0.000 0.242 27 I C 1.958 178.142 176.117 0.111 0.000 1.088 27 I CA 1.433 62.818 61.300 0.142 0.000 1.357 27 I CB -1.006 37.108 38.000 0.190 0.000 1.051 27 I HN 0.207 nan 8.210 nan 0.000 0.409 28 F N 1.058 121.017 119.950 0.016 0.000 2.186 28 F HA -0.181 4.333 4.527 -0.022 0.000 0.299 28 F C 2.678 178.487 175.800 0.015 0.000 1.090 28 F CA 1.464 59.479 58.000 0.025 0.000 1.307 28 F CB -0.599 38.417 39.000 0.027 0.000 1.019 28 F HN 0.017 nan 8.300 nan 0.000 0.489 29 T N -0.226 114.430 114.554 0.170 0.000 2.746 29 T HA -0.189 4.147 4.350 -0.023 0.000 0.267 29 T C 2.243 176.964 174.700 0.034 0.000 1.039 29 T CA 1.204 63.346 62.100 0.069 0.000 1.142 29 T CB -0.561 68.306 68.868 -0.001 0.000 0.866 29 T HN 0.303 nan 8.240 nan 0.000 0.444 30 A N 1.487 124.315 122.820 0.012 0.000 1.908 30 A HA 0.096 4.403 4.320 -0.023 0.000 0.218 30 A C 2.638 180.236 177.584 0.024 0.000 1.181 30 A CA 1.942 53.970 52.037 -0.015 0.000 0.627 30 A CB -1.129 17.815 19.000 -0.093 0.000 0.818 30 A HN 0.511 nan 8.150 nan 0.000 0.445 31 A N 0.020 122.836 122.820 -0.007 0.000 1.877 31 A HA -0.187 4.120 4.320 -0.023 0.000 0.216 31 A C 1.917 179.554 177.584 0.089 0.000 1.186 31 A CA 1.886 53.966 52.037 0.071 0.000 0.620 31 A CB -0.627 18.346 19.000 -0.045 0.000 0.822 31 A HN 0.518 nan 8.150 nan 0.000 0.443 32 N N 0.250 118.984 118.700 0.057 0.000 2.309 32 N HA -0.026 4.701 4.740 -0.023 0.000 0.182 32 N C 1.737 177.277 175.510 0.051 0.000 1.018 32 N CA 1.297 54.380 53.050 0.055 0.000 0.876 32 N CB -0.462 38.064 38.487 0.065 0.000 0.972 32 N HN 0.466 nan 8.380 nan 0.000 0.434 33 A N 0.086 122.940 122.820 0.057 0.000 1.930 33 A HA 0.208 4.514 4.320 -0.023 0.000 0.217 33 A C 1.175 178.791 177.584 0.053 0.000 1.175 33 A CA 1.407 53.473 52.037 0.049 0.000 0.627 33 A CB -0.228 18.800 19.000 0.047 0.000 0.815 33 A HN 0.232 nan 8.150 nan 0.000 0.443 34 A N 0.718 123.591 122.820 0.088 0.000 2.923 34 A HA 0.575 4.881 4.320 -0.023 0.000 0.343 34 A C -2.769 174.812 177.584 -0.006 0.000 1.199 34 A CA -1.601 50.463 52.037 0.045 0.000 0.878 34 A CB 0.127 19.177 19.000 0.084 0.000 1.104 34 A HN 0.248 nan 8.150 nan 0.000 0.483 35 P HA 0.231 nan 4.420 nan 0.000 0.267 35 P C 1.048 178.298 177.300 -0.084 0.000 1.205 35 P CA 1.625 64.706 63.100 -0.032 0.000 0.765 35 P CB 1.135 32.825 31.700 -0.017 0.000 0.828 36 G N 3.427 112.161 108.800 -0.110 0.000 2.205 36 G HA2 -0.357 3.589 3.960 -0.023 0.000 0.261 36 G HA3 -0.357 3.589 3.960 -0.023 0.000 0.261 36 G C 1.264 176.008 174.900 -0.261 0.000 0.980 36 G CA 0.532 45.535 45.100 -0.161 0.000 0.632 36 G HN 0.600 nan 8.290 nan 0.000 0.533 37 R N -0.789 119.525 120.500 -0.311 0.000 2.073 37 R HA 0.279 4.605 4.340 -0.023 0.000 0.229 37 R C 0.549 176.429 176.300 -0.700 0.000 1.120 37 R CA 1.264 57.031 56.100 -0.554 0.000 0.967 37 R CB -0.045 29.808 30.300 -0.745 0.000 0.862 37 R HN 0.459 nan 8.270 nan 0.000 0.436 38 Y N -2.158 117.995 120.300 -0.246 0.000 2.602 38 Y HA 0.440 4.976 4.550 -0.022 0.000 0.342 38 Y C -0.775 174.918 175.900 -0.345 0.000 1.029 38 Y CA -1.325 56.628 58.100 -0.245 0.000 1.080 38 Y CB 1.185 39.586 38.460 -0.098 0.000 1.284 38 Y HN -0.249 nan 8.280 nan 0.000 0.485 39 F N 0.318 120.362 119.950 0.158 0.000 2.522 39 F HA 0.700 5.213 4.527 -0.023 0.000 0.324 39 F C -0.583 175.214 175.800 -0.005 0.000 1.077 39 F CA -1.536 56.481 58.000 0.030 0.000 0.944 39 F CB 1.781 40.762 39.000 -0.031 0.000 1.175 39 F HN 0.019 nan 8.300 nan 0.000 0.468 40 V N 4.054 124.064 119.914 0.160 0.000 2.444 40 V HA 0.529 4.636 4.120 -0.023 0.000 0.294 40 V C -0.419 175.719 176.094 0.072 0.000 1.022 40 V CA -0.879 61.440 62.300 0.033 0.000 0.850 40 V CB 1.747 33.474 31.823 -0.160 0.000 0.992 40 V HN 0.543 nan 8.190 nan 0.000 0.426 41 R N 5.038 125.584 120.500 0.076 0.000 2.352 41 R HA 0.379 4.705 4.340 -0.023 0.000 0.304 41 R C -2.942 173.571 176.300 0.356 0.000 1.104 41 R CA -1.783 54.363 56.100 0.077 0.000 0.991 41 R CB 2.089 32.150 30.300 -0.399 0.000 1.140 41 R HN 0.402 nan 8.270 nan 0.000 0.540 42 P HA 0.300 nan 4.420 nan 0.000 0.287 42 P C -0.261 177.445 177.300 0.676 0.000 1.294 42 P CA -0.305 63.155 63.100 0.600 0.000 0.776 42 P CB 0.757 32.867 31.700 0.685 0.000 0.889 43 I N -0.046 120.905 120.570 0.634 0.000 2.828 43 I HA 0.725 4.882 4.170 -0.023 0.000 0.302 43 I C -1.509 175.043 176.117 0.724 0.000 1.101 43 I CA -1.375 60.279 61.300 0.590 0.000 1.031 43 I CB 2.515 40.733 38.000 0.363 0.000 1.231 43 I HN 0.088 nan 8.210 nan 0.000 0.427 44 F N 5.346 125.552 119.950 0.427 0.000 2.529 44 F HA 0.667 5.180 4.527 -0.023 0.000 0.320 44 F C -1.098 174.871 175.800 0.281 0.000 1.118 44 F CA -0.729 57.520 58.000 0.415 0.000 0.915 44 F CB 1.620 40.807 39.000 0.312 0.000 1.161 44 F HN 0.338 nan 8.300 nan 0.000 0.445 45 I N 7.189 127.642 120.570 -0.195 0.000 2.304 45 I HA 0.266 4.422 4.170 -0.023 0.000 0.291 45 I C -1.157 174.869 176.117 -0.150 0.000 1.018 45 I CA -0.842 60.370 61.300 -0.147 0.000 1.260 45 I CB 1.462 39.347 38.000 -0.192 0.000 1.390 45 I HN 0.399 nan 8.210 nan 0.000 0.475 46 L N 7.179 128.449 121.223 0.079 0.000 2.295 46 L HA 0.388 4.715 4.340 -0.023 0.000 0.281 46 L C -0.310 176.633 176.870 0.121 0.000 1.018 46 L CA -0.248 54.711 54.840 0.199 0.000 0.841 46 L CB 0.978 43.232 42.059 0.326 0.000 1.218 46 L HN 0.401 nan 8.230 nan 0.000 0.424 47 D N 6.884 127.352 120.400 0.114 0.000 2.342 47 D HA 0.184 4.811 4.640 -0.023 0.000 0.260 47 D C -1.781 174.570 176.300 0.086 0.000 1.278 47 D CA -1.771 52.276 54.000 0.078 0.000 0.910 47 D CB 1.516 42.356 40.800 0.067 0.000 1.079 47 D HN 0.384 nan 8.370 nan 0.000 0.496 48 P HA 0.074 nan 4.420 nan 0.000 0.237 48 P C 1.199 178.505 177.300 0.011 0.000 1.178 48 P CA 0.340 63.454 63.100 0.023 0.000 0.766 48 P CB 0.373 32.083 31.700 0.017 0.000 0.876 49 G N -0.197 108.620 108.800 0.027 0.000 2.464 49 G HA2 -0.111 3.836 3.960 -0.023 0.000 0.217 49 G HA3 -0.111 3.836 3.960 -0.023 0.000 0.217 49 G C 1.360 176.297 174.900 0.062 0.000 1.138 49 G CA 0.035 45.152 45.100 0.029 0.000 0.793 49 G HN 0.244 nan 8.290 nan 0.000 0.539 50 I N 0.898 121.530 120.570 0.102 0.000 3.001 50 I HA 0.000 4.157 4.170 -0.023 0.000 0.268 50 I C 2.160 178.479 176.117 0.337 0.000 1.267 50 I CA 0.238 61.670 61.300 0.221 0.000 1.472 50 I CB -0.028 38.136 38.000 0.274 0.000 1.089 50 I HN 0.162 nan 8.210 nan 0.000 0.468 51 L N 0.480 121.749 121.223 0.077 0.000 2.261 51 L HA -0.213 4.113 4.340 -0.023 0.000 0.216 51 L C 1.403 178.286 176.870 0.021 0.000 1.114 51 L CA 1.114 55.831 54.840 -0.205 0.000 0.777 51 L CB -0.564 41.271 42.059 -0.372 0.000 0.910 51 L HN 0.304 nan 8.230 nan 0.000 0.440 52 D N -1.936 118.548 120.400 0.140 0.000 2.360 52 D HA -0.060 4.567 4.640 -0.023 0.000 0.210 52 D C 0.463 176.943 176.300 0.300 0.000 1.047 52 D CA -0.124 53.981 54.000 0.175 0.000 0.854 52 D CB -0.049 40.819 40.800 0.114 0.000 0.936 52 D HN 0.165 nan 8.370 nan 0.000 0.514 53 W N 1.869 123.273 121.300 0.173 0.000 2.385 53 W HA -0.002 4.645 4.660 -0.021 0.000 0.336 53 W C 1.158 177.784 176.519 0.178 0.000 1.351 53 W CA -0.079 57.361 57.345 0.159 0.000 1.295 53 W CB 0.245 29.805 29.460 0.167 0.000 1.239 53 W HN -0.116 nan 8.180 nan 0.000 0.565 54 M N 4.309 123.844 119.600 -0.109 0.000 2.618 54 M HA -0.092 4.375 4.480 -0.023 0.000 0.240 54 M C 1.594 177.655 176.300 -0.400 0.000 1.123 54 M CA 0.544 55.751 55.300 -0.155 0.000 1.060 54 M CB -0.011 32.547 32.600 -0.071 0.000 1.535 54 M HN 0.407 nan 8.290 nan 0.000 0.507 55 Q N 0.208 119.419 119.800 -0.981 0.000 2.482 55 Q HA 0.120 4.447 4.340 -0.023 0.000 0.209 55 Q C -0.176 175.419 176.000 -0.674 0.000 0.961 55 Q CA 0.485 55.654 55.803 -1.057 0.000 0.945 55 Q CB 0.070 27.612 28.738 -1.993 0.000 1.012 55 Q HN 0.257 nan 8.270 nan 0.000 0.515 56 V N 0.386 120.072 119.914 -0.381 0.000 2.376 56 V HA 0.533 4.640 4.120 -0.023 0.000 0.287 56 V C 0.508 176.544 176.094 -0.096 0.000 1.015 56 V CA -0.933 61.208 62.300 -0.265 0.000 0.834 56 V CB 1.373 32.964 31.823 -0.386 0.000 1.001 56 V HN 0.146 nan 8.190 nan 0.000 0.428 57 G N 2.657 111.391 108.800 -0.110 0.000 2.572 57 G HA2 0.466 4.413 3.960 -0.023 0.000 0.261 57 G HA3 0.466 4.413 3.960 -0.023 0.000 0.261 57 G C 1.063 176.039 174.900 0.126 0.000 1.197 57 G CA 0.177 45.288 45.100 0.019 0.000 0.870 57 G HN 0.976 nan 8.290 nan 0.000 0.548 58 A N 1.100 124.046 122.820 0.210 0.000 1.908 58 A HA -0.141 4.165 4.320 -0.023 0.000 0.218 58 A C 2.324 180.049 177.584 0.236 0.000 1.181 58 A CA 1.849 54.058 52.037 0.287 0.000 0.627 58 A CB -0.459 18.654 19.000 0.189 0.000 0.818 58 A HN 0.594 nan 8.150 nan 0.000 0.445 59 N N -0.489 118.300 118.700 0.149 0.000 2.120 59 N HA -0.167 4.559 4.740 -0.023 0.000 0.188 59 N C 1.846 177.453 175.510 0.163 0.000 1.024 59 N CA 1.565 54.703 53.050 0.145 0.000 0.852 59 N CB -0.435 38.121 38.487 0.114 0.000 1.003 59 N HN 0.621 nan 8.380 nan 0.000 0.424 60 R N -0.316 120.233 120.500 0.081 0.000 2.092 60 R HA -0.081 4.246 4.340 -0.023 0.000 0.231 60 R C 2.045 178.410 176.300 0.108 0.000 1.119 60 R CA 1.207 57.340 56.100 0.055 0.000 0.970 60 R CB -0.238 30.008 30.300 -0.090 0.000 0.864 60 R HN 0.290 nan 8.270 nan 0.000 0.440 61 W N 0.390 121.786 121.300 0.160 0.000 2.338 61 W HA -0.163 4.483 4.660 -0.022 0.000 0.304 61 W C 2.534 179.113 176.519 0.100 0.000 1.212 61 W CA 1.251 58.677 57.345 0.135 0.000 1.264 61 W CB -0.142 29.383 29.460 0.109 0.000 1.142 61 W HN 0.140 nan 8.180 nan 0.000 0.512 62 R N -0.078 120.617 120.500 0.326 0.000 2.081 62 R HA -0.221 4.106 4.340 -0.023 0.000 0.235 62 R C 2.169 178.547 176.300 0.129 0.000 1.131 62 R CA 1.852 58.067 56.100 0.191 0.000 0.960 62 R CB -0.947 29.446 30.300 0.156 0.000 0.856 62 R HN 0.217 nan 8.270 nan 0.000 0.436 63 F N 0.878 120.840 119.950 0.019 0.000 2.134 63 F HA -0.220 4.294 4.527 -0.022 0.000 0.299 63 F C 1.942 177.600 175.800 -0.237 0.000 1.097 63 F CA 1.395 59.343 58.000 -0.087 0.000 1.264 63 F CB -0.222 38.734 39.000 -0.073 0.000 1.001 63 F HN 0.131 nan 8.300 nan 0.000 0.479 64 L N 0.491 121.724 121.223 0.016 0.000 2.046 64 L HA -0.203 4.123 4.340 -0.023 0.000 0.208 64 L C 2.466 179.255 176.870 -0.135 0.000 1.077 64 L CA 1.792 56.537 54.840 -0.158 0.000 0.747 64 L CB -1.219 40.886 42.059 0.076 0.000 0.896 64 L HN 0.254 nan 8.230 nan 0.000 0.432 65 Q N -0.235 119.561 119.800 -0.006 0.000 2.061 65 Q HA -0.276 4.050 4.340 -0.023 0.000 0.204 65 Q C 2.188 178.116 176.000 -0.120 0.000 0.984 65 Q CA 2.364 58.149 55.803 -0.030 0.000 0.846 65 Q CB -0.200 28.556 28.738 0.030 0.000 0.902 65 Q HN 0.715 nan 8.270 nan 0.000 0.421 66 Q N -0.926 118.772 119.800 -0.169 0.000 2.119 66 Q HA -0.087 4.240 4.340 -0.023 0.000 0.201 66 Q C 2.081 177.916 176.000 -0.276 0.000 0.972 66 Q CA 1.755 57.429 55.803 -0.216 0.000 0.847 66 Q CB 0.027 28.613 28.738 -0.254 0.000 0.903 66 Q HN 0.371 nan 8.270 nan 0.000 0.433 67 T N 1.403 115.728 114.554 -0.381 0.000 2.708 67 T HA -0.111 4.225 4.350 -0.023 0.000 0.266 67 T C 1.838 176.362 174.700 -0.294 0.000 1.037 67 T CA 0.899 62.778 62.100 -0.369 0.000 1.146 67 T CB -0.207 68.382 68.868 -0.465 0.000 0.865 67 T HN 0.181 nan 8.240 nan 0.000 0.435 68 L N 0.622 121.663 121.223 -0.302 0.000 2.046 68 L HA -0.108 4.219 4.340 -0.023 0.000 0.208 68 L C 2.797 179.549 176.870 -0.197 0.000 1.077 68 L CA 1.446 56.112 54.840 -0.290 0.000 0.747 68 L CB -0.554 41.335 42.059 -0.284 0.000 0.896 68 L HN 0.345 nan 8.230 nan 0.000 0.432 69 E N -0.061 120.044 120.200 -0.159 0.000 2.077 69 E HA -0.272 4.064 4.350 -0.023 0.000 0.193 69 E C 1.713 178.242 176.600 -0.118 0.000 0.989 69 E CA 1.606 57.935 56.400 -0.117 0.000 0.800 69 E CB -0.021 29.620 29.700 -0.097 0.000 0.746 69 E HN 0.437 nan 8.360 nan 0.000 0.452 70 D N 0.367 120.685 120.400 -0.137 0.000 2.117 70 D HA -0.162 4.465 4.640 -0.023 0.000 0.198 70 D C 1.952 178.183 176.300 -0.115 0.000 0.982 70 D CA 0.533 54.463 54.000 -0.116 0.000 0.828 70 D CB 0.002 40.729 40.800 -0.121 0.000 0.967 70 D HN 0.024 nan 8.370 nan 0.000 0.464 71 L N 0.565 121.692 121.223 -0.160 0.000 2.046 71 L HA -0.113 4.214 4.340 -0.023 0.000 0.208 71 L C 1.727 178.517 176.870 -0.133 0.000 1.077 71 L CA 1.962 56.690 54.840 -0.186 0.000 0.747 71 L CB -0.853 41.005 42.059 -0.335 0.000 0.896 71 L HN 0.054 nan 8.230 nan 0.000 0.432 72 D N -1.049 119.277 120.400 -0.123 0.000 2.117 72 D HA -0.203 4.424 4.640 -0.023 0.000 0.197 72 D C 1.822 178.086 176.300 -0.059 0.000 0.987 72 D CA 1.206 55.155 54.000 -0.085 0.000 0.829 72 D CB -0.060 40.686 40.800 -0.089 0.000 0.961 72 D HN 0.333 nan 8.370 nan 0.000 0.460 73 N N -0.014 118.650 118.700 -0.061 0.000 2.120 73 N HA -0.127 4.599 4.740 -0.023 0.000 0.188 73 N C 1.774 177.267 175.510 -0.029 0.000 1.024 73 N CA 0.855 53.879 53.050 -0.043 0.000 0.852 73 N CB -0.280 38.179 38.487 -0.048 0.000 1.003 73 N HN 0.317 nan 8.380 nan 0.000 0.424 74 Q N 0.697 120.477 119.800 -0.033 0.000 2.079 74 Q HA 0.048 4.374 4.340 -0.023 0.000 0.200 74 Q C 2.400 178.401 176.000 0.001 0.000 0.974 74 Q CA 0.630 56.422 55.803 -0.019 0.000 0.840 74 Q CB -0.576 28.146 28.738 -0.025 0.000 0.898 74 Q HN 0.421 nan 8.270 nan 0.000 0.430 75 L N 0.263 121.495 121.223 0.016 0.000 2.131 75 L HA -0.141 4.186 4.340 -0.023 0.000 0.210 75 L C 2.663 179.581 176.870 0.081 0.000 1.092 75 L CA 0.987 55.874 54.840 0.079 0.000 0.759 75 L CB -0.345 41.786 42.059 0.120 0.000 0.903 75 L HN 0.186 nan 8.230 nan 0.000 0.435 76 R N 0.852 121.371 120.500 0.031 0.000 2.105 76 R HA -0.193 4.134 4.340 -0.023 0.000 0.239 76 R C 2.121 178.446 176.300 0.041 0.000 1.135 76 R CA 1.475 57.591 56.100 0.026 0.000 0.967 76 R CB 0.001 30.299 30.300 -0.002 0.000 0.861 76 R HN 0.302 nan 8.270 nan 0.000 0.442 77 K N 0.101 120.521 120.400 0.034 0.000 2.362 77 K HA -0.052 4.254 4.320 -0.023 0.000 0.200 77 K C 1.269 177.905 176.600 0.060 0.000 1.046 77 K CA 0.710 57.017 56.287 0.034 0.000 0.952 77 K CB 0.126 32.636 32.500 0.016 0.000 0.753 77 K HN 0.280 nan 8.250 nan 0.000 0.466 78 L N 1.066 122.346 121.223 0.095 0.000 2.685 78 L HA 0.120 4.447 4.340 -0.023 0.000 0.233 78 L C -0.313 176.684 176.870 0.211 0.000 1.173 78 L CA -0.246 54.693 54.840 0.165 0.000 0.961 78 L CB -0.422 41.755 42.059 0.196 0.000 1.217 78 L HN 0.228 nan 8.230 nan 0.000 0.478 79 N N -0.742 118.040 118.700 0.137 0.000 2.782 79 N HA -0.186 4.540 4.740 -0.023 0.000 0.251 79 N C 0.295 175.882 175.510 0.129 0.000 1.101 79 N CA 1.163 54.282 53.050 0.115 0.000 0.764 79 N CB -0.991 37.560 38.487 0.106 0.000 1.122 79 N HN 0.460 nan 8.380 nan 0.000 0.561 80 S N -0.614 115.183 115.700 0.161 0.000 2.993 80 S HA 0.870 5.326 4.470 -0.023 0.000 0.281 80 S C -0.329 174.307 174.600 0.060 0.000 1.033 80 S CA 0.133 58.428 58.200 0.157 0.000 0.950 80 S CB 1.541 64.927 63.200 0.310 0.000 1.349 80 S HN 0.510 nan 8.310 nan 0.000 0.652 81 R N -0.608 119.897 120.500 0.009 0.000 2.829 81 R HA 0.520 4.847 4.340 -0.023 0.000 0.283 81 R C -2.264 173.903 176.300 -0.222 0.000 1.013 81 R CA -0.865 55.139 56.100 -0.159 0.000 0.848 81 R CB -0.083 30.017 30.300 -0.333 0.000 1.291 81 R HN 0.462 nan 8.270 nan 0.000 0.496 82 L N 1.113 122.205 121.223 -0.218 0.000 2.312 82 L HA 0.559 4.886 4.340 -0.023 0.000 0.281 82 L C -1.399 175.300 176.870 -0.284 0.000 1.070 82 L CA -0.162 54.624 54.840 -0.090 0.000 0.805 82 L CB 0.919 42.966 42.059 -0.020 0.000 1.174 82 L HN 0.577 nan 8.230 nan 0.000 0.434 83 F N 4.799 124.864 119.950 0.192 0.000 2.347 83 F HA 0.391 4.905 4.527 -0.023 0.000 0.366 83 F C -0.055 175.847 175.800 0.171 0.000 1.107 83 F CA -0.780 57.305 58.000 0.142 0.000 1.058 83 F CB 1.359 40.354 39.000 -0.008 0.000 1.236 83 F HN 0.036 nan 8.300 nan 0.000 0.456 84 V N 5.187 125.308 119.914 0.344 0.000 2.322 84 V HA 0.190 4.296 4.120 -0.023 0.000 0.258 84 V C -0.017 176.266 176.094 0.314 0.000 1.074 84 V CA -0.596 61.909 62.300 0.343 0.000 0.909 84 V CB 0.625 32.625 31.823 0.296 0.000 1.090 84 V HN 0.443 nan 8.190 nan 0.000 0.486 85 V N 6.350 126.367 119.914 0.172 0.000 2.385 85 V HA 0.368 4.475 4.120 -0.023 0.000 0.269 85 V C 0.522 176.675 176.094 0.098 0.000 1.043 85 V CA -0.741 61.602 62.300 0.073 0.000 0.906 85 V CB 1.152 32.850 31.823 -0.208 0.000 0.995 85 V HN 0.750 nan 8.190 nan 0.000 0.467 86 R N 3.318 123.914 120.500 0.159 0.000 2.389 86 R HA 0.679 5.006 4.340 -0.023 0.000 0.295 86 R C 0.625 176.935 176.300 0.017 0.000 1.075 86 R CA 0.915 57.072 56.100 0.094 0.000 1.005 86 R CB 0.866 31.227 30.300 0.102 0.000 0.987 86 R HN 1.114 nan 8.270 nan 0.000 0.452 87 G N 1.392 110.185 108.800 -0.013 0.000 2.350 87 G HA2 0.052 3.998 3.960 -0.023 0.000 0.282 87 G HA3 0.052 3.998 3.960 -0.023 0.000 0.282 87 G C -1.553 173.303 174.900 -0.073 0.000 1.314 87 G CA -1.063 44.004 45.100 -0.055 0.000 0.915 87 G HN 0.389 nan 8.290 nan 0.000 0.499 88 K N 0.805 121.147 120.400 -0.096 0.000 2.259 88 K HA 0.531 4.838 4.320 -0.023 0.000 0.252 88 K C -1.909 174.597 176.600 -0.157 0.000 0.936 88 K CA -1.838 54.399 56.287 -0.083 0.000 0.810 88 K CB 2.849 35.325 32.500 -0.041 0.000 1.143 88 K HN 0.098 nan 8.250 nan 0.000 0.427 89 P HA -0.295 nan 4.420 nan 0.000 0.217 89 P C 0.846 178.082 177.300 -0.107 0.000 1.148 89 P CA 1.416 64.403 63.100 -0.188 0.000 0.834 89 P CB 0.149 31.856 31.700 0.013 0.000 0.783 90 A N 0.094 122.867 122.820 -0.080 0.000 1.933 90 A HA -0.239 4.068 4.320 -0.023 0.000 0.218 90 A C 2.014 179.536 177.584 -0.102 0.000 1.175 90 A CA 1.974 53.968 52.037 -0.071 0.000 0.628 90 A CB -0.950 18.017 19.000 -0.055 0.000 0.814 90 A HN 0.379 nan 8.150 nan 0.000 0.444 91 E N -0.978 119.141 120.200 -0.135 0.000 2.251 91 E HA 0.100 4.436 4.350 -0.023 0.000 0.194 91 E C 1.654 178.112 176.600 -0.236 0.000 0.964 91 E CA 0.581 56.891 56.400 -0.150 0.000 0.868 91 E CB -0.274 29.356 29.700 -0.116 0.000 0.828 91 E HN 0.249 nan 8.360 nan 0.000 0.481 92 V N 1.006 120.716 119.914 -0.339 0.000 2.270 92 V HA -0.222 3.885 4.120 -0.023 0.000 0.245 92 V C 1.968 177.661 176.094 -0.669 0.000 1.043 92 V CA 1.717 63.703 62.300 -0.524 0.000 1.014 92 V CB -0.539 30.873 31.823 -0.686 0.000 0.645 92 V HN 0.143 nan 8.190 nan 0.000 0.447 93 F N 0.067 119.638 119.950 -0.632 0.000 2.102 93 F HA -0.034 4.479 4.527 -0.023 0.000 0.298 93 F C 0.087 175.366 175.800 -0.869 0.000 1.105 93 F CA 1.558 58.972 58.000 -0.977 0.000 1.239 93 F CB -2.192 36.148 39.000 -1.101 0.000 0.991 93 F HN 0.271 nan 8.300 nan 0.000 0.474 94 P HA -0.193 nan 4.420 nan 0.000 0.216 94 P C 1.643 178.858 177.300 -0.142 0.000 1.150 94 P CA 1.693 64.709 63.100 -0.140 0.000 0.837 94 P CB -0.137 31.511 31.700 -0.087 0.000 0.786 95 R N 0.458 120.820 120.500 -0.231 0.000 2.062 95 R HA -0.093 4.234 4.340 -0.023 0.000 0.231 95 R C 2.312 178.421 176.300 -0.317 0.000 1.136 95 R CA 1.775 57.739 56.100 -0.227 0.000 0.948 95 R CB -0.761 29.395 30.300 -0.240 0.000 0.845 95 R HN 0.211 nan 8.270 nan 0.000 0.430 96 I N -2.307 117.932 120.570 -0.552 0.000 2.716 96 I HA -0.049 4.108 4.170 -0.023 0.000 0.259 96 I C 1.397 177.297 176.117 -0.362 0.000 1.172 96 I CA 0.651 61.410 61.300 -0.902 0.000 1.478 96 I CB -0.381 36.593 38.000 -1.711 0.000 1.104 96 I HN -0.047 nan 8.210 nan 0.000 0.439 97 F N 2.333 122.147 119.950 -0.228 0.000 2.095 97 F HA -0.155 4.359 4.527 -0.023 0.000 0.298 97 F C 2.608 178.394 175.800 -0.024 0.000 1.104 97 F CA 1.490 59.456 58.000 -0.056 0.000 1.232 97 F CB -0.875 38.115 39.000 -0.017 0.000 0.987 97 F HN 0.131 nan 8.300 nan 0.000 0.475 98 K N -0.558 119.933 120.400 0.151 0.000 2.031 98 K HA -0.088 4.219 4.320 -0.023 0.000 0.205 98 K C 2.460 179.110 176.600 0.084 0.000 1.049 98 K CA 1.224 57.566 56.287 0.091 0.000 0.939 98 K CB -0.170 32.359 32.500 0.049 0.000 0.717 98 K HN 0.000 nan 8.250 nan 0.000 0.438 99 S N -0.203 115.507 115.700 0.018 0.000 2.356 99 S HA -0.127 4.329 4.470 -0.023 0.000 0.223 99 S C 1.105 175.889 174.600 0.307 0.000 1.032 99 S CA 1.178 59.429 58.200 0.085 0.000 1.005 99 S CB -0.164 63.006 63.200 -0.050 0.000 0.867 99 S HN 0.430 nan 8.310 nan 0.000 0.449 100 W N 1.213 122.553 121.300 0.067 0.000 3.197 100 W HA 0.410 5.056 4.660 -0.023 0.000 0.274 100 W C 0.293 176.878 176.519 0.111 0.000 1.297 100 W CA -0.665 56.722 57.345 0.071 0.000 1.662 100 W CB -0.733 28.756 29.460 0.047 0.000 1.106 100 W HN 0.205 nan 8.180 nan 0.000 0.663 101 R N 0.115 120.795 120.500 0.300 0.000 3.146 101 R HA -0.161 4.165 4.340 -0.023 0.000 0.250 101 R C -0.412 176.017 176.300 0.214 0.000 0.912 101 R CA 0.264 56.488 56.100 0.207 0.000 0.633 101 R CB -2.304 28.099 30.300 0.171 0.000 1.180 101 R HN -0.181 nan 8.270 nan 0.000 0.464 102 V N 1.226 121.272 119.914 0.220 0.000 2.572 102 V HA -0.038 4.068 4.120 -0.023 0.000 0.291 102 V C 1.836 177.958 176.094 0.047 0.000 1.039 102 V CA 0.774 63.188 62.300 0.190 0.000 1.055 102 V CB 1.508 33.491 31.823 0.265 0.000 0.969 102 V HN 0.495 nan 8.190 nan 0.000 0.482 103 E N 4.230 124.475 120.200 0.074 0.000 2.201 103 E HA 0.158 4.495 4.350 -0.023 0.000 0.193 103 E C 0.653 177.240 176.600 -0.022 0.000 0.957 103 E CA 0.163 56.582 56.400 0.032 0.000 0.858 103 E CB 0.517 30.292 29.700 0.124 0.000 0.816 103 E HN 0.682 nan 8.360 nan 0.000 0.475 104 M N 1.420 121.018 119.600 -0.004 0.000 2.501 104 M HA 0.364 4.830 4.480 -0.023 0.000 0.293 104 M C -2.156 174.192 176.300 0.081 0.000 1.192 104 M CA -0.853 54.448 55.300 0.001 0.000 0.886 104 M CB 2.246 34.835 32.600 -0.019 0.000 1.710 104 M HN 0.025 nan 8.290 nan 0.000 0.457 105 L N 4.090 125.373 121.223 0.100 0.000 2.439 105 L HA 0.691 5.017 4.340 -0.023 0.000 0.270 105 L C -1.376 175.600 176.870 0.176 0.000 0.972 105 L CA -0.008 54.962 54.840 0.215 0.000 0.836 105 L CB 1.951 44.173 42.059 0.272 0.000 1.255 105 L HN 0.966 nan 8.230 nan 0.000 0.404 106 T N 1.702 116.400 114.554 0.239 0.000 2.908 106 T HA 0.856 5.192 4.350 -0.023 0.000 0.290 106 T C -0.674 174.169 174.700 0.238 0.000 1.034 106 T CA -0.496 61.692 62.100 0.146 0.000 1.010 106 T CB 2.142 71.137 68.868 0.212 0.000 1.068 106 T HN 0.532 nan 8.240 nan 0.000 0.481 107 F N -1.664 118.361 119.950 0.125 0.000 2.773 107 F HA 0.695 5.208 4.527 -0.023 0.000 0.314 107 F C -0.959 174.872 175.800 0.051 0.000 1.160 107 F CA -1.313 56.670 58.000 -0.028 0.000 0.920 107 F CB 1.127 40.049 39.000 -0.131 0.000 1.323 107 F HN 0.761 nan 8.300 nan 0.000 0.457 108 E N 1.544 121.911 120.200 0.279 0.000 2.259 108 E HA 0.403 4.740 4.350 -0.023 0.000 0.281 108 E C -0.410 176.328 176.600 0.229 0.000 1.027 108 E CA -0.563 55.959 56.400 0.203 0.000 0.838 108 E CB 1.351 31.152 29.700 0.168 0.000 1.066 108 E HN 0.817 nan 8.360 nan 0.000 0.401 109 T N 1.392 116.047 114.554 0.170 0.000 2.860 109 T HA 0.222 4.558 4.350 -0.023 0.000 0.299 109 T C -0.199 174.555 174.700 0.089 0.000 1.045 109 T CA -0.739 61.459 62.100 0.165 0.000 1.071 109 T CB 1.276 70.208 68.868 0.106 0.000 0.985 109 T HN 0.397 nan 8.240 nan 0.000 0.537 110 D N 0.135 120.574 120.400 0.065 0.000 2.857 110 D HA 0.374 5.000 4.640 -0.023 0.000 0.227 110 D C 0.470 176.815 176.300 0.075 0.000 1.192 110 D CA -0.943 53.082 54.000 0.042 0.000 0.857 110 D CB 1.367 42.142 40.800 -0.041 0.000 1.645 110 D HN 0.520 nan 8.370 nan 0.000 0.482 111 I N -0.651 120.010 120.570 0.151 0.000 3.883 111 I HA 0.341 4.497 4.170 -0.023 0.000 0.326 111 I C 0.321 176.466 176.117 0.045 0.000 1.283 111 I CA -0.025 61.364 61.300 0.148 0.000 1.161 111 I CB -0.425 37.731 38.000 0.260 0.000 1.012 111 I HN 0.184 nan 8.210 nan 0.000 0.421 112 E N 2.844 123.009 120.200 -0.059 0.000 2.384 112 E HA 0.054 4.390 4.350 -0.023 0.000 0.266 112 E C -1.629 174.748 176.600 -0.373 0.000 1.012 112 E CA -1.290 54.837 56.400 -0.455 0.000 0.901 112 E CB 0.189 29.643 29.700 -0.410 0.000 0.967 112 E HN 0.098 nan 8.360 nan 0.000 0.435 113 P HA -0.242 nan 4.420 nan 0.000 0.213 113 P C 1.199 178.420 177.300 -0.131 0.000 1.170 113 P CA 1.293 64.259 63.100 -0.223 0.000 0.902 113 P CB -0.093 31.494 31.700 -0.189 0.000 0.789 114 Y N 0.537 120.687 120.300 -0.250 0.000 2.114 114 Y HA -0.272 4.265 4.550 -0.022 0.000 0.282 114 Y C 2.678 178.495 175.900 -0.139 0.000 1.165 114 Y CA 2.374 60.372 58.100 -0.170 0.000 1.148 114 Y CB -0.988 37.363 38.460 -0.181 0.000 0.972 114 Y HN -0.061 nan 8.280 nan 0.000 0.504 115 S N -0.879 114.787 115.700 -0.056 0.000 2.383 115 S HA -0.154 4.302 4.470 -0.023 0.000 0.227 115 S C 1.972 176.477 174.600 -0.159 0.000 1.026 115 S CA 1.479 59.605 58.200 -0.123 0.000 0.981 115 S CB -0.890 62.277 63.200 -0.055 0.000 0.818 115 S HN 0.314 nan 8.310 nan 0.000 0.472 116 V N 2.184 122.026 119.914 -0.120 0.000 2.343 116 V HA -0.137 3.970 4.120 -0.023 0.000 0.247 116 V C 3.078 179.114 176.094 -0.096 0.000 1.051 116 V CA 2.185 64.440 62.300 -0.075 0.000 1.036 116 V CB -1.593 30.204 31.823 -0.044 0.000 0.654 116 V HN 0.884 nan 8.190 nan 0.000 0.451 117 T N -0.882 113.583 114.554 -0.149 0.000 2.812 117 T HA -0.219 4.118 4.350 -0.023 0.000 0.264 117 T C 1.999 176.585 174.700 -0.191 0.000 1.042 117 T CA 1.366 63.376 62.100 -0.149 0.000 1.140 117 T CB -0.354 68.424 68.868 -0.151 0.000 0.870 117 T HN 0.423 nan 8.240 nan 0.000 0.445 118 R N 1.289 121.598 120.500 -0.317 0.000 2.080 118 R HA -0.161 4.165 4.340 -0.023 0.000 0.236 118 R C 1.824 178.045 176.300 -0.131 0.000 1.137 118 R CA 2.291 58.221 56.100 -0.283 0.000 0.943 118 R CB -0.640 29.404 30.300 -0.427 0.000 0.846 118 R HN 0.342 nan 8.270 nan 0.000 0.431 119 D N 0.334 120.660 120.400 -0.124 0.000 2.144 119 D HA -0.100 4.526 4.640 -0.023 0.000 0.199 119 D C 1.752 178.059 176.300 0.012 0.000 0.984 119 D CA 1.469 55.432 54.000 -0.060 0.000 0.834 119 D CB -0.264 40.515 40.800 -0.035 0.000 0.955 119 D HN 0.429 nan 8.370 nan 0.000 0.465 120 A N 0.939 123.750 122.820 -0.015 0.000 1.902 120 A HA -0.036 4.271 4.320 -0.023 0.000 0.217 120 A C 2.301 179.877 177.584 -0.014 0.000 1.181 120 A CA 2.091 54.127 52.037 -0.002 0.000 0.623 120 A CB -0.719 18.271 19.000 -0.017 0.000 0.818 120 A HN 0.231 nan 8.150 nan 0.000 0.443 121 A N -0.529 122.266 122.820 -0.041 0.000 1.877 121 A HA -0.022 4.284 4.320 -0.023 0.000 0.216 121 A C 2.227 179.784 177.584 -0.044 0.000 1.186 121 A CA 1.835 53.846 52.037 -0.044 0.000 0.620 121 A CB -0.971 17.991 19.000 -0.063 0.000 0.822 121 A HN 0.401 nan 8.150 nan 0.000 0.443 122 V N 0.119 119.992 119.914 -0.068 0.000 2.343 122 V HA -0.270 3.836 4.120 -0.023 0.000 0.247 122 V C 2.723 178.801 176.094 -0.026 0.000 1.051 122 V CA 2.021 64.237 62.300 -0.140 0.000 1.036 122 V CB -0.771 30.883 31.823 -0.281 0.000 0.654 122 V HN 0.557 nan 8.190 nan 0.000 0.451 123 Q N 0.011 119.834 119.800 0.038 0.000 2.084 123 Q HA -0.258 4.068 4.340 -0.023 0.000 0.202 123 Q C 2.332 178.348 176.000 0.027 0.000 0.978 123 Q CA 1.865 57.703 55.803 0.059 0.000 0.844 123 Q CB -0.298 28.481 28.738 0.069 0.000 0.898 123 Q HN 0.655 nan 8.270 nan 0.000 0.426 124 K N 0.502 120.911 120.400 0.015 0.000 2.025 124 K HA -0.165 4.142 4.320 -0.023 0.000 0.207 124 K C 2.165 178.777 176.600 0.020 0.000 1.049 124 K CA 0.789 57.082 56.287 0.010 0.000 0.933 124 K CB -0.153 32.347 32.500 0.001 0.000 0.714 124 K HN 0.068 nan 8.250 nan 0.000 0.438 125 L N 1.280 122.524 121.223 0.035 0.000 1.989 125 L HA -0.139 4.187 4.340 -0.023 0.000 0.211 125 L C 2.255 179.196 176.870 0.118 0.000 1.071 125 L CA 2.284 57.176 54.840 0.086 0.000 0.749 125 L CB -0.979 41.141 42.059 0.102 0.000 0.890 125 L HN 0.259 nan 8.230 nan 0.000 0.431 126 A N -0.328 122.563 122.820 0.119 0.000 1.883 126 A HA -0.321 3.986 4.320 -0.023 0.000 0.217 126 A C 2.384 179.919 177.584 -0.083 0.000 1.186 126 A CA 2.305 54.316 52.037 -0.043 0.000 0.624 126 A CB -0.782 18.197 19.000 -0.037 0.000 0.822 126 A HN 0.537 nan 8.150 nan 0.000 0.444 127 K N 0.111 120.491 120.400 -0.033 0.000 2.020 127 K HA -0.102 4.204 4.320 -0.023 0.000 0.212 127 K C 1.916 178.497 176.600 -0.031 0.000 1.050 127 K CA 2.043 58.311 56.287 -0.032 0.000 0.929 127 K CB -0.573 31.918 32.500 -0.015 0.000 0.714 127 K HN 0.338 nan 8.250 nan 0.000 0.443 128 A N -0.128 122.684 122.820 -0.014 0.000 2.067 128 A HA -0.073 4.233 4.320 -0.023 0.000 0.219 128 A C 1.849 179.425 177.584 -0.014 0.000 1.158 128 A CA 1.695 53.728 52.037 -0.007 0.000 0.661 128 A CB -0.381 18.623 19.000 0.007 0.000 0.801 128 A HN 0.512 nan 8.150 nan 0.000 0.452 129 E N -1.392 118.789 120.200 -0.031 0.000 2.474 129 E HA 0.305 4.641 4.350 -0.023 0.000 0.195 129 E C 0.986 177.525 176.600 -0.101 0.000 1.039 129 E CA 0.683 57.054 56.400 -0.049 0.000 0.881 129 E CB -0.078 29.603 29.700 -0.031 0.000 0.970 129 E HN 0.658 nan 8.360 nan 0.000 0.486 130 G N 0.451 109.191 108.800 -0.100 0.000 2.147 130 G HA2 -0.250 3.697 3.960 -0.023 0.000 0.244 130 G HA3 -0.250 3.697 3.960 -0.023 0.000 0.244 130 G C 0.014 174.826 174.900 -0.146 0.000 1.005 130 G CA 0.387 45.428 45.100 -0.097 0.000 0.713 130 G HN 0.522 nan 8.290 nan 0.000 0.515 131 V N 0.323 120.092 119.914 -0.241 0.000 2.394 131 V HA 0.738 4.845 4.120 -0.023 0.000 0.282 131 V C 0.876 176.866 176.094 -0.173 0.000 1.031 131 V CA -0.906 61.222 62.300 -0.287 0.000 0.881 131 V CB 1.260 32.709 31.823 -0.623 0.000 0.982 131 V HN 0.499 nan 8.190 nan 0.000 0.451 132 R N 4.547 124.983 120.500 -0.105 0.000 2.537 132 R HA 0.502 4.828 4.340 -0.023 0.000 0.280 132 R C -1.274 174.996 176.300 -0.051 0.000 1.058 132 R CA -0.148 55.914 56.100 -0.063 0.000 1.057 132 R CB 1.090 31.369 30.300 -0.036 0.000 0.973 132 R HN 0.690 nan 8.270 nan 0.000 0.438 133 V N 4.435 124.319 119.914 -0.050 0.000 2.483 133 V HA 0.265 4.371 4.120 -0.023 0.000 0.297 133 V C -0.534 175.489 176.094 -0.117 0.000 1.027 133 V CA -0.640 61.624 62.300 -0.061 0.000 0.855 133 V CB 1.689 33.488 31.823 -0.040 0.000 0.995 133 V HN 0.810 nan 8.190 nan 0.000 0.424 134 E N 2.752 122.868 120.200 -0.140 0.000 2.158 134 E HA 0.583 4.919 4.350 -0.023 0.000 0.271 134 E C -0.563 175.838 176.600 -0.332 0.000 0.911 134 E CA -0.352 55.937 56.400 -0.185 0.000 0.767 134 E CB 2.177 31.854 29.700 -0.037 0.000 1.120 134 E HN 0.839 nan 8.360 nan 0.000 0.405 135 T N 0.350 114.633 114.554 -0.452 0.000 2.912 135 T HA 0.502 4.838 4.350 -0.023 0.000 0.288 135 T C -0.359 174.055 174.700 -0.476 0.000 1.030 135 T CA -0.854 60.951 62.100 -0.491 0.000 1.020 135 T CB 1.613 70.183 68.868 -0.496 0.000 1.056 135 T HN 0.373 nan 8.240 nan 0.000 0.480 136 H N -0.140 118.822 119.070 -0.181 0.000 2.806 136 H HA 0.405 4.948 4.556 -0.023 0.000 0.367 136 H C -0.848 174.459 175.328 -0.035 0.000 1.136 136 H CA -0.803 55.182 56.048 -0.106 0.000 1.178 136 H CB 1.935 31.625 29.762 -0.121 0.000 1.718 136 H HN 0.863 nan 8.280 nan 0.000 0.540 137 C N 3.988 123.339 119.300 0.085 0.000 2.225 137 C HA 0.200 4.647 4.460 -0.023 0.000 0.437 137 C C 1.337 176.377 174.990 0.082 0.000 1.039 137 C CA -0.201 58.865 59.018 0.081 0.000 1.406 137 C CB -2.279 25.496 27.740 0.058 0.000 1.548 137 C HN 0.764 nan 8.230 nan 0.000 0.515 138 S N 0.507 116.268 115.700 0.102 0.000 2.559 138 S HA 0.029 4.485 4.470 -0.023 0.000 0.226 138 S C 1.187 175.839 174.600 0.086 0.000 1.000 138 S CA 0.212 58.455 58.200 0.071 0.000 0.948 138 S CB -0.568 62.665 63.200 0.055 0.000 0.870 138 S HN 0.877 nan 8.310 nan 0.000 0.497 139 H N 3.258 122.324 119.070 -0.007 0.000 2.462 139 H HA 0.145 4.688 4.556 -0.023 0.000 0.292 139 H C 0.761 176.021 175.328 -0.113 0.000 1.049 139 H CA 1.729 57.752 56.048 -0.042 0.000 1.334 139 H CB -0.034 29.695 29.762 -0.056 0.000 1.404 139 H HN 0.578 nan 8.280 nan 0.000 0.544 140 T N -3.111 111.363 114.554 -0.133 0.000 2.907 140 T HA 0.310 4.646 4.350 -0.023 0.000 0.292 140 T C 1.384 176.021 174.700 -0.104 0.000 1.043 140 T CA -0.608 61.384 62.100 -0.181 0.000 1.003 140 T CB 1.347 70.117 68.868 -0.164 0.000 1.084 140 T HN 0.095 nan 8.240 nan 0.000 0.483 141 I N -0.251 120.237 120.570 -0.138 0.000 2.179 141 I HA -0.028 4.128 4.170 -0.023 0.000 0.242 141 I C 0.061 175.917 176.117 -0.434 0.000 1.088 141 I CA 1.171 62.281 61.300 -0.317 0.000 1.357 141 I CB -0.118 37.617 38.000 -0.442 0.000 1.051 141 I HN 0.561 nan 8.210 nan 0.000 0.409 142 Y N 0.099 120.412 120.300 0.022 0.000 2.409 142 Y HA 0.327 4.864 4.550 -0.023 0.000 0.339 142 Y C 0.236 176.161 175.900 0.043 0.000 1.033 142 Y CA -1.514 56.598 58.100 0.019 0.000 1.094 142 Y CB 0.515 38.975 38.460 0.001 0.000 1.210 142 Y HN -0.101 nan 8.280 nan 0.000 0.456 143 N N 4.477 123.291 118.700 0.190 0.000 2.405 143 N HA 0.147 4.874 4.740 -0.023 0.000 0.260 143 N C -2.051 173.546 175.510 0.145 0.000 1.152 143 N CA -2.068 51.062 53.050 0.133 0.000 0.948 143 N CB 1.163 39.704 38.487 0.089 0.000 1.111 143 N HN 0.296 nan 8.380 nan 0.000 0.485 144 P HA -0.196 nan 4.420 nan 0.000 0.218 144 P C 0.784 178.154 177.300 0.116 0.000 1.154 144 P CA 1.477 64.673 63.100 0.161 0.000 0.872 144 P CB 0.363 32.165 31.700 0.171 0.000 0.790 145 E N -0.729 119.528 120.200 0.096 0.000 2.058 145 E HA -0.171 4.165 4.350 -0.023 0.000 0.194 145 E C 1.998 178.632 176.600 0.056 0.000 0.997 145 E CA 1.079 57.521 56.400 0.071 0.000 0.801 145 E CB -0.586 29.149 29.700 0.057 0.000 0.746 145 E HN 0.246 nan 8.360 nan 0.000 0.450 146 L N 0.408 121.664 121.223 0.055 0.000 2.141 146 L HA -0.144 4.183 4.340 -0.023 0.000 0.209 146 L C 2.472 179.351 176.870 0.015 0.000 1.094 146 L CA 0.551 55.412 54.840 0.035 0.000 0.763 146 L CB -0.433 41.652 42.059 0.043 0.000 0.908 146 L HN 0.061 nan 8.230 nan 0.000 0.437 147 V N 0.301 120.229 119.914 0.024 0.000 2.307 147 V HA -0.268 3.839 4.120 -0.023 0.000 0.245 147 V C 2.348 178.449 176.094 0.012 0.000 1.045 147 V CA 1.736 64.024 62.300 -0.020 0.000 1.024 147 V CB -0.266 31.567 31.823 0.017 0.000 0.651 147 V HN 0.293 nan 8.190 nan 0.000 0.449 148 I N 0.444 121.045 120.570 0.052 0.000 2.226 148 I HA -0.225 3.931 4.170 -0.023 0.000 0.245 148 I C 2.627 178.767 176.117 0.038 0.000 1.100 148 I CA 1.465 62.801 61.300 0.059 0.000 1.374 148 I CB -0.500 37.544 38.000 0.074 0.000 1.057 148 I HN 0.281 nan 8.210 nan 0.000 0.413 149 A N 0.400 123.237 122.820 0.029 0.000 1.898 149 A HA -0.240 4.066 4.320 -0.023 0.000 0.216 149 A C 2.246 179.833 177.584 0.006 0.000 1.181 149 A CA 1.715 53.764 52.037 0.019 0.000 0.620 149 A CB -0.407 18.603 19.000 0.018 0.000 0.819 149 A HN 0.202 nan 8.150 nan 0.000 0.442 150 K N 0.392 120.787 120.400 -0.008 0.000 2.147 150 K HA -0.113 4.193 4.320 -0.023 0.000 0.205 150 K C 1.060 177.647 176.600 -0.021 0.000 1.049 150 K CA 1.533 57.805 56.287 -0.026 0.000 0.936 150 K CB -0.389 32.076 32.500 -0.058 0.000 0.722 150 K HN 0.464 nan 8.250 nan 0.000 0.446 151 N N 0.392 119.087 118.700 -0.007 0.000 2.378 151 N HA 0.121 4.847 4.740 -0.023 0.000 0.243 151 N C -0.898 174.626 175.510 0.024 0.000 1.137 151 N CA 0.048 53.103 53.050 0.008 0.000 0.862 151 N CB -0.260 38.244 38.487 0.027 0.000 1.116 151 N HN 0.210 nan 8.380 nan 0.000 0.499 152 L N -0.876 120.357 121.223 0.017 0.000 3.634 152 L HA -0.282 4.045 4.340 -0.023 0.000 0.423 152 L C 0.956 177.844 176.870 0.030 0.000 1.253 152 L CA 0.399 55.251 54.840 0.021 0.000 0.885 152 L CB -2.233 39.838 42.059 0.020 0.000 1.789 152 L HN 0.451 nan 8.230 nan 0.000 0.904 153 G N -0.847 107.973 108.800 0.035 0.000 2.157 153 G HA2 -0.275 3.671 3.960 -0.023 0.000 0.248 153 G HA3 -0.275 3.671 3.960 -0.023 0.000 0.248 153 G C 0.158 175.092 174.900 0.057 0.000 0.979 153 G CA 0.660 45.785 45.100 0.042 0.000 0.650 153 G HN 0.459 nan 8.290 nan 0.000 0.529 154 K N 0.266 120.706 120.400 0.066 0.000 2.324 154 K HA 0.710 5.017 4.320 -0.023 0.000 0.253 154 K C 0.259 176.927 176.600 0.113 0.000 0.932 154 K CA -0.167 56.176 56.287 0.092 0.000 0.799 154 K CB 2.010 34.565 32.500 0.092 0.000 1.154 154 K HN 0.488 nan 8.250 nan 0.000 0.425 155 A N 4.163 127.071 122.820 0.147 0.000 2.454 155 A HA 0.322 4.629 4.320 -0.023 0.000 0.260 155 A C -2.292 175.397 177.584 0.175 0.000 1.106 155 A CA -1.185 50.942 52.037 0.149 0.000 0.780 155 A CB -0.363 18.728 19.000 0.151 0.000 1.044 155 A HN 0.365 nan 8.150 nan 0.000 0.498 156 P HA 0.125 nan 4.420 nan 0.000 0.268 156 P C 0.539 178.008 177.300 0.282 0.000 1.204 156 P CA 0.100 63.343 63.100 0.238 0.000 0.768 156 P CB 0.395 32.276 31.700 0.300 0.000 0.842 157 I N -0.037 120.750 120.570 0.360 0.000 3.956 157 I HA 0.204 4.360 4.170 -0.023 0.000 0.333 157 I C 0.072 176.559 176.117 0.617 0.000 1.302 157 I CA -0.122 61.483 61.300 0.508 0.000 1.122 157 I CB -0.106 38.197 38.000 0.505 0.000 1.013 157 I HN 0.181 nan 8.210 nan 0.000 0.405 158 T N -3.668 111.166 114.554 0.467 0.000 2.876 158 T HA 0.309 4.645 4.350 -0.023 0.000 0.289 158 T C 0.345 175.139 174.700 0.156 0.000 1.014 158 T CA -0.619 61.661 62.100 0.301 0.000 0.986 158 T CB 1.910 70.915 68.868 0.228 0.000 1.021 158 T HN 0.196 nan 8.240 nan 0.000 0.458 159 Y N 2.077 122.189 120.300 -0.314 0.000 2.097 159 Y HA -0.173 4.364 4.550 -0.021 0.000 0.282 159 Y C 2.619 178.405 175.900 -0.191 0.000 1.152 159 Y CA 1.871 59.621 58.100 -0.584 0.000 1.136 159 Y CB -0.190 37.779 38.460 -0.819 0.000 0.975 159 Y HN 0.627 nan 8.280 nan 0.000 0.498 160 Q N 0.299 120.098 119.800 -0.002 0.000 2.124 160 Q HA -0.173 4.154 4.340 -0.023 0.000 0.202 160 Q C 2.091 178.055 176.000 -0.059 0.000 0.977 160 Q CA 1.381 57.155 55.803 -0.047 0.000 0.850 160 Q CB -0.245 28.522 28.738 0.049 0.000 0.901 160 Q HN 0.444 nan 8.270 nan 0.000 0.429 161 K N 0.170 120.581 120.400 0.019 0.000 2.057 161 K HA -0.096 4.211 4.320 -0.023 0.000 0.206 161 K C 1.955 178.556 176.600 0.003 0.000 1.050 161 K CA 0.630 56.934 56.287 0.028 0.000 0.935 161 K CB -0.661 31.895 32.500 0.093 0.000 0.715 161 K HN 0.195 nan 8.250 nan 0.000 0.439 162 F N 2.095 121.988 119.950 -0.095 0.000 2.095 162 F HA -0.173 4.341 4.527 -0.022 0.000 0.298 162 F C 1.984 177.621 175.800 -0.271 0.000 1.104 162 F CA 1.255 59.180 58.000 -0.125 0.000 1.232 162 F CB -0.279 38.724 39.000 0.005 0.000 0.987 162 F HN -0.120 nan 8.300 nan 0.000 0.475 163 L N -0.040 120.971 121.223 -0.353 0.000 2.046 163 L HA -0.165 4.162 4.340 -0.023 0.000 0.208 163 L C 2.790 179.433 176.870 -0.378 0.000 1.077 163 L CA 1.362 55.926 54.840 -0.460 0.000 0.747 163 L CB -1.625 40.184 42.059 -0.417 0.000 0.896 163 L HN 0.384 nan 8.230 nan 0.000 0.432 164 G N 0.206 108.851 108.800 -0.259 0.000 2.422 164 G HA2 -0.219 3.728 3.960 -0.023 0.000 0.218 164 G HA3 -0.219 3.728 3.960 -0.023 0.000 0.218 164 G C 1.499 176.261 174.900 -0.229 0.000 1.146 164 G CA 0.398 45.383 45.100 -0.192 0.000 0.769 164 G HN 0.139 nan 8.290 nan 0.000 0.547 165 I N 1.536 121.932 120.570 -0.289 0.000 2.163 165 I HA -0.116 4.041 4.170 -0.023 0.000 0.240 165 I C 3.172 179.025 176.117 -0.440 0.000 1.081 165 I CA 1.286 62.399 61.300 -0.312 0.000 1.353 165 I CB -1.291 36.528 38.000 -0.301 0.000 1.054 165 I HN 0.218 nan 8.210 nan 0.000 0.407 166 V N 0.644 120.131 119.914 -0.711 0.000 2.759 166 V HA -0.144 3.963 4.120 -0.023 0.000 0.256 166 V C 2.054 177.760 176.094 -0.645 0.000 1.080 166 V CA 1.510 63.227 62.300 -0.971 0.000 1.101 166 V CB -1.312 29.518 31.823 -1.655 0.000 0.698 166 V HN 0.614 nan 8.190 nan 0.000 0.477 167 E N 0.471 120.427 120.200 -0.407 0.000 2.478 167 E HA -0.200 4.137 4.350 -0.023 0.000 0.198 167 E C 1.801 178.312 176.600 -0.148 0.000 1.046 167 E CA 1.006 57.278 56.400 -0.213 0.000 0.870 167 E CB -0.327 29.277 29.700 -0.160 0.000 0.818 167 E HN 0.760 nan 8.360 nan 0.000 0.527 168 Q N 0.542 120.235 119.800 -0.179 0.000 2.392 168 Q HA 0.242 4.568 4.340 -0.023 0.000 0.203 168 Q C 0.362 176.311 176.000 -0.085 0.000 0.917 168 Q CA 0.065 55.800 55.803 -0.114 0.000 0.939 168 Q CB 0.528 29.198 28.738 -0.114 0.000 1.063 168 Q HN 0.288 nan 8.270 nan 0.000 0.516 169 L N 0.653 121.815 121.223 -0.102 0.000 2.352 169 L HA 0.379 4.706 4.340 -0.023 0.000 0.269 169 L C -0.042 176.885 176.870 0.095 0.000 1.034 169 L CA -0.835 53.998 54.840 -0.011 0.000 0.806 169 L CB 1.245 43.288 42.059 -0.026 0.000 1.244 169 L HN -0.145 nan 8.230 nan 0.000 0.447 170 K N 0.741 121.198 120.400 0.095 0.000 2.174 170 K HA 0.394 4.700 4.320 -0.023 0.000 0.275 170 K C -0.952 175.702 176.600 0.091 0.000 1.015 170 K CA -0.550 55.786 56.287 0.081 0.000 0.933 170 K CB 1.542 34.066 32.500 0.041 0.000 1.025 170 K HN 0.335 nan 8.250 nan 0.000 0.463 171 V N 2.033 121.966 119.914 0.033 0.000 2.383 171 V HA 0.314 4.420 4.120 -0.023 0.000 0.275 171 V C -2.097 173.967 176.094 -0.050 0.000 1.036 171 V CA -2.153 60.103 62.300 -0.072 0.000 0.889 171 V CB 0.334 32.094 31.823 -0.105 0.000 0.985 171 V HN 0.672 nan 8.190 nan 0.000 0.459 172 P HA 0.334 nan 4.420 nan 0.000 0.272 172 P C -0.363 176.926 177.300 -0.018 0.000 1.223 172 P CA -0.580 62.507 63.100 -0.021 0.000 0.784 172 P CB 0.548 32.240 31.700 -0.014 0.000 0.923 173 K N 0.476 120.878 120.400 0.003 0.000 2.401 173 K HA 0.225 4.531 4.320 -0.023 0.000 0.278 173 K C -0.562 176.045 176.600 0.011 0.000 1.018 173 K CA -0.225 56.066 56.287 0.007 0.000 0.981 173 K CB 0.279 32.788 32.500 0.016 0.000 0.933 173 K HN 0.138 nan 8.250 nan 0.000 0.477 174 V N 5.807 125.727 119.914 0.010 0.000 2.406 174 V HA 0.177 4.284 4.120 -0.023 0.000 0.272 174 V C 0.224 176.336 176.094 0.030 0.000 1.043 174 V CA -0.593 61.721 62.300 0.023 0.000 0.915 174 V CB 0.566 32.403 31.823 0.024 0.000 0.988 174 V HN 0.577 nan 8.190 nan 0.000 0.466 175 L N 3.925 125.171 121.223 0.038 0.000 2.439 175 L HA 0.585 4.912 4.340 -0.023 0.000 0.261 175 L C 1.212 178.110 176.870 0.046 0.000 1.153 175 L CA -0.068 54.792 54.840 0.033 0.000 0.808 175 L CB 0.625 42.698 42.059 0.023 0.000 1.126 175 L HN 0.730 nan 8.230 nan 0.000 0.460 176 G N 0.444 109.261 108.800 0.029 0.000 2.525 176 G HA2 0.419 4.366 3.960 -0.023 0.000 0.287 176 G HA3 0.419 4.366 3.960 -0.023 0.000 0.287 176 G C -0.347 174.569 174.900 0.027 0.000 1.350 176 G CA -0.568 44.550 45.100 0.030 0.000 1.039 176 G HN 0.294 nan 8.290 nan 0.000 0.513 177 V N 1.816 121.740 119.914 0.017 0.000 2.811 177 V HA 0.159 4.266 4.120 -0.023 0.000 0.302 177 V C -1.403 174.652 176.094 -0.064 0.000 1.063 177 V CA -0.708 61.580 62.300 -0.019 0.000 1.088 177 V CB 1.016 32.830 31.823 -0.015 0.000 0.982 177 V HN 0.537 nan 8.190 nan 0.000 0.485 178 P HA 0.142 nan 4.420 nan 0.000 0.271 178 P C -0.506 176.736 177.300 -0.097 0.000 1.233 178 P CA -0.405 62.587 63.100 -0.181 0.000 0.789 178 P CB 0.286 31.681 31.700 -0.509 0.000 0.951 179 E N 0.327 120.533 120.200 0.009 0.000 2.366 179 E HA 0.183 4.519 4.350 -0.023 0.000 0.266 179 E C -0.281 176.421 176.600 0.170 0.000 1.051 179 E CA -0.849 55.598 56.400 0.079 0.000 0.884 179 E CB 0.567 30.323 29.700 0.093 0.000 1.006 179 E HN 0.225 nan 8.360 nan 0.000 0.417 180 K N 2.305 122.786 120.400 0.135 0.000 2.451 180 K HA 0.056 4.363 4.320 -0.023 0.000 0.280 180 K C -0.291 176.428 176.600 0.198 0.000 1.020 180 K CA -0.174 56.213 56.287 0.168 0.000 1.008 180 K CB 0.365 32.926 32.500 0.101 0.000 0.917 180 K HN 0.437 nan 8.250 nan 0.000 0.478 181 L N 4.688 126.050 121.223 0.232 0.000 2.410 181 L HA 0.093 4.419 4.340 -0.023 0.000 0.273 181 L C 0.255 177.179 176.870 0.090 0.000 1.152 181 L CA 0.290 55.209 54.840 0.131 0.000 0.855 181 L CB 0.528 42.618 42.059 0.053 0.000 1.129 181 L HN 0.518 nan 8.230 nan 0.000 0.463 182 K N 3.090 123.530 120.400 0.065 0.000 2.182 182 K HA 0.284 4.590 4.320 -0.023 0.000 0.262 182 K C -0.105 176.519 176.600 0.040 0.000 0.957 182 K CA -0.797 55.521 56.287 0.051 0.000 0.842 182 K CB 1.093 33.619 32.500 0.043 0.000 1.099 182 K HN 0.513 nan 8.250 nan 0.000 0.438 183 N N 1.532 120.256 118.700 0.039 0.000 2.727 183 N HA -0.195 4.531 4.740 -0.023 0.000 0.249 183 N C -1.001 174.535 175.510 0.045 0.000 1.048 183 N CA 0.936 54.006 53.050 0.034 0.000 0.714 183 N CB -0.665 37.831 38.487 0.016 0.000 0.959 183 N HN 0.570 nan 8.380 nan 0.000 0.544 184 M N 0.907 120.547 119.600 0.067 0.000 2.103 184 M HA 0.278 4.745 4.480 -0.023 0.000 0.350 184 M C -1.931 174.452 176.300 0.138 0.000 1.100 184 M CA -1.438 53.925 55.300 0.106 0.000 1.042 184 M CB 0.727 33.381 32.600 0.090 0.000 1.368 184 M HN -0.039 nan 8.290 nan 0.000 0.404 185 P HA 0.224 nan 4.420 nan 0.000 0.274 185 P C -0.325 177.067 177.300 0.153 0.000 1.246 185 P CA -0.171 63.024 63.100 0.158 0.000 0.795 185 P CB 0.091 31.897 31.700 0.176 0.000 1.006 186 T N -1.287 113.302 114.554 0.058 0.000 2.940 186 T HA 0.243 4.579 4.350 -0.023 0.000 0.309 186 T C -2.238 172.317 174.700 -0.240 0.000 1.056 186 T CA -1.167 60.923 62.100 -0.018 0.000 1.137 186 T CB -0.767 68.105 68.868 0.006 0.000 0.976 186 T HN 0.211 nan 8.240 nan 0.000 0.547 187 P HA 0.276 nan 4.420 nan 0.000 0.270 187 P C -2.368 174.589 177.300 -0.571 0.000 1.223 187 P CA -1.200 61.256 63.100 -1.074 0.000 0.785 187 P CB -0.663 30.484 31.700 -0.922 0.000 0.923 188 P HA 0.115 nan 4.420 nan 0.000 0.271 188 P C -0.525 176.673 177.300 -0.171 0.000 1.218 188 P CA -0.013 62.954 63.100 -0.222 0.000 0.780 188 P CB 0.379 32.006 31.700 -0.122 0.000 0.901 189 K N 2.169 122.520 120.400 -0.082 0.000 2.401 189 K HA 0.111 4.418 4.320 -0.023 0.000 0.278 189 K C 0.477 177.089 176.600 0.021 0.000 1.018 189 K CA -0.217 56.050 56.287 -0.034 0.000 0.981 189 K CB 0.136 32.624 32.500 -0.019 0.000 0.933 189 K HN 0.540 nan 8.250 nan 0.000 0.477 190 D N 1.373 121.830 120.400 0.095 0.000 2.451 190 D HA -0.024 4.602 4.640 -0.023 0.000 0.259 190 D C 0.554 176.913 176.300 0.098 0.000 1.201 190 D CA -0.451 53.656 54.000 0.177 0.000 1.028 190 D CB 0.523 41.573 40.800 0.417 0.000 1.095 190 D HN 0.463 nan 8.370 nan 0.000 0.539 191 E N -0.295 119.957 120.200 0.087 0.000 2.118 191 E HA -0.127 4.210 4.350 -0.023 0.000 0.195 191 E C 1.940 178.549 176.600 0.014 0.000 0.992 191 E CA 1.104 57.527 56.400 0.039 0.000 0.804 191 E CB -0.816 28.902 29.700 0.030 0.000 0.741 191 E HN 0.300 nan 8.360 nan 0.000 0.458 192 V N 1.275 121.202 119.914 0.022 0.000 2.358 192 V HA -0.228 3.879 4.120 -0.023 0.000 0.246 192 V C 2.055 178.068 176.094 -0.135 0.000 1.047 192 V CA 2.107 64.381 62.300 -0.044 0.000 1.035 192 V CB -0.575 31.236 31.823 -0.019 0.000 0.658 192 V HN 0.237 nan 8.190 nan 0.000 0.452 193 E N -0.177 119.933 120.200 -0.149 0.000 2.150 193 E HA -0.228 4.109 4.350 -0.023 0.000 0.193 193 E C 2.316 178.868 176.600 -0.081 0.000 0.985 193 E CA 0.970 57.268 56.400 -0.171 0.000 0.814 193 E CB -0.154 29.476 29.700 -0.117 0.000 0.752 193 E HN 0.652 nan 8.360 nan 0.000 0.466 194 Q N 0.674 120.449 119.800 -0.042 0.000 2.170 194 Q HA -0.158 4.169 4.340 -0.023 0.000 0.203 194 Q C 1.922 177.904 176.000 -0.029 0.000 0.976 194 Q CA 1.188 56.976 55.803 -0.025 0.000 0.858 194 Q CB 0.047 28.780 28.738 -0.008 0.000 0.907 194 Q HN 0.151 nan 8.270 nan 0.000 0.433 195 K N -0.006 120.372 120.400 -0.036 0.000 2.031 195 K HA -0.067 4.240 4.320 -0.023 0.000 0.205 195 K C 0.320 176.895 176.600 -0.041 0.000 1.049 195 K CA 0.881 57.148 56.287 -0.034 0.000 0.939 195 K CB 0.262 32.743 32.500 -0.032 0.000 0.717 195 K HN -0.000 nan 8.250 nan 0.000 0.438 196 D N -0.361 120.000 120.400 -0.064 0.000 2.421 196 D HA 0.062 4.689 4.640 -0.023 0.000 0.254 196 D C 0.480 176.728 176.300 -0.088 0.000 1.238 196 D CA -0.258 53.702 54.000 -0.066 0.000 0.919 196 D CB 1.393 42.154 40.800 -0.066 0.000 1.152 196 D HN 0.023 nan 8.370 nan 0.000 0.552 197 S N 2.284 117.949 115.700 -0.058 0.000 2.419 197 S HA -0.147 4.310 4.470 -0.023 0.000 0.235 197 S C 1.546 176.119 174.600 -0.045 0.000 1.019 197 S CA 0.852 59.022 58.200 -0.049 0.000 0.982 197 S CB -0.050 63.136 63.200 -0.023 0.000 0.789 197 S HN 0.415 nan 8.310 nan 0.000 0.490 198 A N 0.352 123.148 122.820 -0.040 0.000 2.462 198 A HA 0.815 5.122 4.320 -0.023 0.000 0.261 198 A C 1.884 179.454 177.584 -0.024 0.000 1.323 198 A CA 0.347 52.375 52.037 -0.015 0.000 0.913 198 A CB -0.715 18.282 19.000 -0.005 0.000 1.028 198 A HN 0.641 nan 8.150 nan 0.000 0.511 199 A N -0.743 122.007 122.820 -0.118 0.000 1.972 199 A HA -0.040 4.267 4.320 -0.023 0.000 0.219 199 A C 1.277 178.858 177.584 -0.005 0.000 1.169 199 A CA 1.231 53.168 52.037 -0.167 0.000 0.635 199 A CB -0.469 18.291 19.000 -0.400 0.000 0.810 199 A HN 0.550 nan 8.150 nan 0.000 0.446 200 Y N 0.577 120.968 120.300 0.152 0.000 2.607 200 Y HA 0.260 4.797 4.550 -0.023 0.000 0.266 200 Y C -0.392 175.594 175.900 0.143 0.000 1.178 200 Y CA -1.926 56.300 58.100 0.209 0.000 1.226 200 Y CB -0.606 38.087 38.460 0.389 0.000 1.144 200 Y HN 0.166 nan 8.280 nan 0.000 0.528 201 D N -0.524 119.995 120.400 0.198 0.000 2.357 201 D HA 0.071 4.697 4.640 -0.023 0.000 0.242 201 D C 0.111 176.468 176.300 0.095 0.000 1.153 201 D CA -0.149 53.913 54.000 0.103 0.000 0.918 201 D CB 0.815 41.646 40.800 0.053 0.000 1.181 201 D HN 0.034 nan 8.370 nan 0.000 0.435 202 C N 3.054 122.380 119.300 0.044 0.000 2.611 202 C HA 0.123 4.570 4.460 -0.023 0.000 0.416 202 C C -1.683 173.324 174.990 0.028 0.000 1.366 202 C CA -1.040 57.992 59.018 0.025 0.000 1.761 202 C CB -0.852 26.875 27.740 -0.022 0.000 2.619 202 C HN 0.453 nan 8.230 nan 0.000 0.606 203 P HA 0.137 nan 4.420 nan 0.000 0.271 203 P C 0.037 177.341 177.300 0.007 0.000 1.216 203 P CA 0.208 63.325 63.100 0.030 0.000 0.776 203 P CB 0.314 32.041 31.700 0.045 0.000 0.881 204 T N 2.788 117.343 114.554 0.001 0.000 2.828 204 T HA 0.111 4.448 4.350 -0.023 0.000 0.290 204 T C 1.889 176.585 174.700 -0.007 0.000 1.019 204 T CA -0.384 61.712 62.100 -0.006 0.000 1.031 204 T CB 0.216 69.079 68.868 -0.008 0.000 1.001 204 T HN 0.273 nan 8.240 nan 0.000 0.531 205 M N 1.260 120.857 119.600 -0.005 0.000 2.080 205 M HA -0.089 4.377 4.480 -0.023 0.000 0.260 205 M C 2.250 178.544 176.300 -0.010 0.000 1.068 205 M CA 1.776 57.078 55.300 0.003 0.000 1.109 205 M CB -0.998 31.607 32.600 0.008 0.000 1.342 205 M HN 0.612 nan 8.290 nan 0.000 0.405 206 K N 0.283 120.674 120.400 -0.014 0.000 2.103 206 K HA -0.201 4.106 4.320 -0.023 0.000 0.207 206 K C 1.886 178.461 176.600 -0.041 0.000 1.048 206 K CA 1.388 57.661 56.287 -0.022 0.000 0.930 206 K CB 0.074 32.565 32.500 -0.016 0.000 0.716 206 K HN 0.488 nan 8.250 nan 0.000 0.444 207 Q N 0.008 119.783 119.800 -0.042 0.000 2.083 207 Q HA -0.088 4.239 4.340 -0.023 0.000 0.198 207 Q C 2.146 178.072 176.000 -0.123 0.000 0.969 207 Q CA 1.020 56.786 55.803 -0.061 0.000 0.838 207 Q CB 0.081 28.799 28.738 -0.033 0.000 0.900 207 Q HN 0.345 nan 8.270 nan 0.000 0.436 208 L N 0.101 121.249 121.223 -0.124 0.000 2.354 208 L HA 0.089 4.415 4.340 -0.023 0.000 0.212 208 L C 0.346 176.998 176.870 -0.364 0.000 1.091 208 L CA 0.154 54.845 54.840 -0.248 0.000 0.828 208 L CB 0.780 42.813 42.059 -0.042 0.000 0.973 208 L HN -0.040 nan 8.230 nan 0.000 0.461 209 V N 1.106 120.930 119.914 -0.149 0.000 2.294 209 V HA 0.150 4.257 4.120 -0.023 0.000 0.272 209 V C 0.685 176.736 176.094 -0.072 0.000 1.027 209 V CA -0.453 61.802 62.300 -0.076 0.000 0.823 209 V CB 1.168 33.017 31.823 0.045 0.000 1.030 209 V HN 0.141 nan 8.190 nan 0.000 0.457 210 K N 3.349 123.691 120.400 -0.098 0.000 2.167 210 K HA 0.132 4.439 4.320 -0.023 0.000 0.203 210 K C 0.832 177.433 176.600 0.001 0.000 1.052 210 K CA 0.765 57.022 56.287 -0.051 0.000 0.956 210 K CB 0.101 32.567 32.500 -0.056 0.000 0.735 210 K HN 0.422 nan 8.250 nan 0.000 0.451 211 R N 0.831 121.352 120.500 0.034 0.000 2.587 211 R HA 0.180 4.506 4.340 -0.023 0.000 0.283 211 R C -2.087 174.248 176.300 0.059 0.000 1.472 211 R CA -1.347 54.782 56.100 0.049 0.000 1.578 211 R CB 1.032 31.371 30.300 0.065 0.000 1.130 211 R HN -0.105 nan 8.270 nan 0.000 0.602 212 P HA -0.195 nan 4.420 nan 0.000 0.225 212 P C 0.915 178.241 177.300 0.044 0.000 1.148 212 P CA 0.867 63.994 63.100 0.046 0.000 0.779 212 P CB 0.337 32.055 31.700 0.029 0.000 0.780 213 E N 0.876 121.100 120.200 0.040 0.000 2.347 213 E HA -0.175 4.161 4.350 -0.023 0.000 0.196 213 E C 1.064 177.691 176.600 0.044 0.000 1.008 213 E CA 1.086 57.508 56.400 0.036 0.000 0.852 213 E CB -0.678 29.040 29.700 0.030 0.000 0.783 213 E HN 0.365 nan 8.360 nan 0.000 0.505 214 E N 0.768 121.002 120.200 0.057 0.000 2.435 214 E HA 0.134 4.470 4.350 -0.023 0.000 0.195 214 E C 0.382 177.022 176.600 0.067 0.000 1.029 214 E CA -0.190 56.249 56.400 0.064 0.000 0.865 214 E CB 0.127 29.874 29.700 0.077 0.000 0.833 214 E HN 0.237 nan 8.360 nan 0.000 0.510 215 L N 1.478 122.742 121.223 0.068 0.000 2.455 215 L HA 0.125 4.451 4.340 -0.023 0.000 0.272 215 L C 0.891 177.794 176.870 0.056 0.000 1.174 215 L CA -0.326 54.556 54.840 0.070 0.000 0.869 215 L CB 0.595 42.694 42.059 0.066 0.000 1.130 215 L HN 0.054 nan 8.230 nan 0.000 0.474 216 G N 3.301 112.137 108.800 0.060 0.000 2.828 216 G HA2 0.576 4.522 3.960 -0.023 0.000 0.244 216 G HA3 0.576 4.522 3.960 -0.023 0.000 0.244 216 G C -2.654 172.269 174.900 0.039 0.000 1.365 216 G CA -1.110 44.020 45.100 0.051 0.000 1.041 216 G HN 0.397 nan 8.290 nan 0.000 0.560 217 P HA 0.069 nan 4.420 nan 0.000 0.265 217 P C -0.288 177.001 177.300 -0.019 0.000 1.193 217 P CA 0.094 63.191 63.100 -0.006 0.000 0.765 217 P CB 0.398 32.087 31.700 -0.018 0.000 0.823 218 N N 2.534 121.216 118.700 -0.030 0.000 3.178 218 N HA -0.011 4.715 4.740 -0.023 0.000 0.300 218 N C 0.778 176.221 175.510 -0.111 0.000 1.242 218 N CA -0.220 52.813 53.050 -0.028 0.000 1.192 218 N CB -0.025 38.454 38.487 -0.013 0.000 1.463 218 N HN 0.274 nan 8.380 nan 0.000 0.539 219 K N 0.300 120.552 120.400 -0.246 0.000 2.155 219 K HA -0.043 4.263 4.320 -0.023 0.000 0.203 219 K C -0.365 175.788 176.600 -0.744 0.000 1.052 219 K CA 0.903 56.826 56.287 -0.607 0.000 0.948 219 K CB 0.238 32.148 32.500 -0.984 0.000 0.728 219 K HN 0.277 nan 8.250 nan 0.000 0.448 220 F N 1.333 121.349 119.950 0.110 0.000 2.564 220 F HA 0.318 4.831 4.527 -0.024 0.000 0.361 220 F C -2.543 173.391 175.800 0.223 0.000 1.161 220 F CA -3.279 54.835 58.000 0.189 0.000 1.198 220 F CB 0.674 39.780 39.000 0.177 0.000 1.424 220 F HN -0.253 nan 8.300 nan 0.000 0.517 221 P HA 0.149 nan 4.420 nan 0.000 0.269 221 P C 0.612 177.832 177.300 -0.133 0.000 1.209 221 P CA 0.021 63.136 63.100 0.026 0.000 0.776 221 P CB 0.850 32.548 31.700 -0.003 0.000 0.876 222 G N 0.887 109.298 108.800 -0.648 0.000 2.572 222 G HA2 0.537 4.484 3.960 -0.023 0.000 0.261 222 G HA3 0.537 4.484 3.960 -0.023 0.000 0.261 222 G C -0.022 174.600 174.900 -0.463 0.000 1.197 222 G CA 0.028 44.356 45.100 -1.288 0.000 0.870 222 G HN 0.824 nan 8.290 nan 0.000 0.548 223 G N -0.735 107.880 108.800 -0.309 0.000 2.617 223 G HA2 -0.078 3.869 3.960 -0.023 0.000 0.686 223 G HA3 -0.078 3.869 3.960 -0.023 0.000 0.686 223 G C 0.483 175.410 174.900 0.045 0.000 1.214 223 G CA 0.441 45.475 45.100 -0.110 0.000 0.796 223 G HN 0.881 nan 8.290 nan 0.000 0.654 224 E N -0.328 119.893 120.200 0.035 0.000 2.118 224 E HA -0.156 4.180 4.350 -0.023 0.000 0.195 224 E C 2.303 178.915 176.600 0.020 0.000 0.992 224 E CA 2.172 58.621 56.400 0.082 0.000 0.804 224 E CB -0.196 29.559 29.700 0.092 0.000 0.741 224 E HN 0.584 nan 8.360 nan 0.000 0.458 225 T N 0.734 115.275 114.554 -0.021 0.000 2.652 225 T HA -0.217 4.119 4.350 -0.023 0.000 0.267 225 T C 1.722 176.366 174.700 -0.095 0.000 1.039 225 T CA 1.717 63.786 62.100 -0.052 0.000 1.153 225 T CB -0.348 68.488 68.868 -0.053 0.000 0.863 225 T HN 0.251 nan 8.240 nan 0.000 0.428 226 E N 1.410 121.547 120.200 -0.105 0.000 2.153 226 E HA -0.020 4.317 4.350 -0.023 0.000 0.194 226 E C 2.153 178.525 176.600 -0.380 0.000 0.988 226 E CA 1.242 57.540 56.400 -0.169 0.000 0.811 226 E CB -0.574 29.079 29.700 -0.078 0.000 0.746 226 E HN 0.434 nan 8.360 nan 0.000 0.466 227 A N 0.567 123.139 122.820 -0.413 0.000 1.865 227 A HA -0.172 4.135 4.320 -0.023 0.000 0.217 227 A C 2.324 179.705 177.584 -0.339 0.000 1.191 227 A CA 1.700 53.408 52.037 -0.549 0.000 0.623 227 A CB -0.869 18.058 19.000 -0.121 0.000 0.826 227 A HN 0.353 nan 8.150 nan 0.000 0.444 228 L N -1.230 119.872 121.223 -0.201 0.000 2.056 228 L HA -0.143 4.183 4.340 -0.023 0.000 0.207 228 L C 2.827 179.593 176.870 -0.173 0.000 1.078 228 L CA 1.542 56.272 54.840 -0.184 0.000 0.749 228 L CB -0.481 41.481 42.059 -0.161 0.000 0.901 228 L HN 0.457 nan 8.230 nan 0.000 0.433 229 R N 0.628 121.030 120.500 -0.164 0.000 2.081 229 R HA -0.212 4.115 4.340 -0.023 0.000 0.235 229 R C 2.440 178.649 176.300 -0.152 0.000 1.131 229 R CA 1.747 57.766 56.100 -0.136 0.000 0.960 229 R CB -0.155 30.076 30.300 -0.116 0.000 0.856 229 R HN 0.243 nan 8.270 nan 0.000 0.436 230 R N 0.205 120.575 120.500 -0.217 0.000 2.075 230 R HA -0.099 4.228 4.340 -0.023 0.000 0.232 230 R C 2.453 178.638 176.300 -0.193 0.000 1.126 230 R CA 1.626 57.599 56.100 -0.211 0.000 0.963 230 R CB -0.271 29.846 30.300 -0.306 0.000 0.858 230 R HN 0.263 nan 8.270 nan 0.000 0.435 231 M N 0.667 120.125 119.600 -0.237 0.000 2.065 231 M HA -0.195 4.271 4.480 -0.023 0.000 0.259 231 M C 1.543 177.787 176.300 -0.093 0.000 1.069 231 M CA 1.808 56.979 55.300 -0.215 0.000 1.110 231 M CB -0.068 32.371 32.600 -0.268 0.000 1.328 231 M HN 0.107 nan 8.290 nan 0.000 0.405 232 E N 0.338 120.484 120.200 -0.090 0.000 2.085 232 E HA -0.280 4.056 4.350 -0.023 0.000 0.194 232 E C 1.758 178.336 176.600 -0.036 0.000 0.994 232 E CA 1.764 58.135 56.400 -0.049 0.000 0.801 232 E CB -0.567 29.097 29.700 -0.060 0.000 0.743 232 E HN 0.702 nan 8.360 nan 0.000 0.453 233 E N 0.476 120.640 120.200 -0.061 0.000 2.106 233 E HA -0.112 4.224 4.350 -0.023 0.000 0.192 233 E C 1.949 178.516 176.600 -0.055 0.000 0.984 233 E CA 1.137 57.501 56.400 -0.060 0.000 0.806 233 E CB 0.143 29.796 29.700 -0.079 0.000 0.750 233 E HN 0.017 nan 8.360 nan 0.000 0.458 234 S N 0.479 116.154 115.700 -0.041 0.000 2.383 234 S HA -0.051 4.406 4.470 -0.023 0.000 0.227 234 S C 1.726 176.406 174.600 0.134 0.000 1.026 234 S CA 0.727 58.931 58.200 0.007 0.000 0.981 234 S CB -0.038 63.200 63.200 0.064 0.000 0.818 234 S HN 0.294 nan 8.310 nan 0.000 0.472 235 L N 0.890 122.188 121.223 0.125 0.000 2.591 235 L HA 0.187 4.513 4.340 -0.023 0.000 0.228 235 L C 2.150 179.085 176.870 0.109 0.000 1.133 235 L CA 0.253 55.188 54.840 0.158 0.000 0.880 235 L CB -0.213 41.927 42.059 0.136 0.000 1.033 235 L HN 0.188 nan 8.230 nan 0.000 0.450 236 K N 0.558 120.996 120.400 0.064 0.000 2.026 236 K HA -0.183 4.124 4.320 -0.023 0.000 0.208 236 K C 0.752 177.391 176.600 0.066 0.000 1.048 236 K CA 1.209 57.520 56.287 0.040 0.000 0.929 236 K CB 0.105 32.606 32.500 0.002 0.000 0.713 236 K HN 0.089 nan 8.250 nan 0.000 0.439 237 D N 1.255 121.710 120.400 0.092 0.000 2.453 237 D HA 0.003 4.630 4.640 -0.023 0.000 0.223 237 D C 0.180 176.613 176.300 0.221 0.000 1.183 237 D CA 0.228 54.310 54.000 0.137 0.000 0.933 237 D CB 0.675 41.551 40.800 0.126 0.000 1.038 237 D HN 0.152 nan 8.370 nan 0.000 0.513 238 E N 2.662 122.954 120.200 0.154 0.000 2.268 238 E HA -0.127 4.209 4.350 -0.023 0.000 0.195 238 E C 1.675 178.367 176.600 0.152 0.000 0.995 238 E CA 0.401 56.886 56.400 0.142 0.000 0.836 238 E CB 0.477 30.230 29.700 0.088 0.000 0.763 238 E HN 0.552 nan 8.360 nan 0.000 0.491 239 I N 0.096 120.764 120.570 0.163 0.000 2.163 239 I HA -0.229 3.928 4.170 -0.023 0.000 0.240 239 I C 2.281 178.517 176.117 0.198 0.000 1.081 239 I CA 1.118 62.510 61.300 0.153 0.000 1.353 239 I CB -1.361 36.722 38.000 0.139 0.000 1.054 239 I HN 0.314 nan 8.210 nan 0.000 0.407 240 W N 1.764 123.117 121.300 0.089 0.000 2.338 240 W HA -0.213 4.433 4.660 -0.024 0.000 0.304 240 W C 2.456 179.082 176.519 0.178 0.000 1.212 240 W CA 1.801 59.218 57.345 0.121 0.000 1.264 240 W CB -0.404 29.125 29.460 0.114 0.000 1.142 240 W HN -0.146 nan 8.180 nan 0.000 0.512 241 V N 1.230 121.303 119.914 0.265 0.000 2.295 241 V HA -0.291 3.815 4.120 -0.023 0.000 0.246 241 V C 2.507 178.576 176.094 -0.043 0.000 1.049 241 V CA 2.283 64.612 62.300 0.048 0.000 1.024 241 V CB -1.606 30.325 31.823 0.180 0.000 0.648 241 V HN 0.347 nan 8.190 nan 0.000 0.447 242 A N -0.178 122.661 122.820 0.032 0.000 1.930 242 A HA -0.152 4.155 4.320 -0.023 0.000 0.217 242 A C 2.208 179.832 177.584 0.066 0.000 1.175 242 A CA 1.379 53.445 52.037 0.049 0.000 0.627 242 A CB -0.360 18.694 19.000 0.090 0.000 0.815 242 A HN 0.536 nan 8.150 nan 0.000 0.443 243 R N -1.801 118.712 120.500 0.021 0.000 2.388 243 R HA 0.219 4.545 4.340 -0.023 0.000 0.247 243 R C -0.307 175.953 176.300 -0.067 0.000 0.931 243 R CA -0.510 55.590 56.100 -0.001 0.000 1.082 243 R CB -0.228 30.072 30.300 0.001 0.000 1.135 243 R HN 0.494 nan 8.270 nan 0.000 0.525 244 F N 2.560 122.324 119.950 -0.310 0.000 2.602 244 F HA -0.068 4.447 4.527 -0.021 0.000 0.385 244 F C 0.034 175.718 175.800 -0.194 0.000 1.063 244 F CA 0.655 58.410 58.000 -0.409 0.000 1.233 244 F CB 0.424 39.101 39.000 -0.538 0.000 1.067 244 F HN -0.024 nan 8.300 nan 0.000 0.564 245 E N 5.415 125.313 120.200 -0.502 0.000 2.244 245 E HA 0.092 4.428 4.350 -0.023 0.000 0.260 245 E C 0.147 176.444 176.600 -0.505 0.000 0.884 245 E CA -0.795 55.435 56.400 -0.284 0.000 0.777 245 E CB 2.001 31.614 29.700 -0.144 0.000 1.197 245 E HN 0.517 nan 8.360 nan 0.000 0.416 246 K N 3.453 123.678 120.400 -0.292 0.000 2.063 246 K HA -0.080 4.226 4.320 -0.023 0.000 0.208 246 K C -1.083 175.444 176.600 -0.123 0.000 1.048 246 K CA 1.595 57.752 56.287 -0.217 0.000 0.928 246 K CB -0.758 31.738 32.500 -0.007 0.000 0.713 246 K HN 0.261 nan 8.250 nan 0.000 0.442 247 P HA -0.046 nan 4.420 nan 0.000 0.220 247 P C 0.116 177.402 177.300 -0.022 0.000 1.148 247 P CA 1.063 64.151 63.100 -0.019 0.000 0.803 247 P CB 0.020 31.720 31.700 -0.000 0.000 0.782 248 N N -1.351 117.299 118.700 -0.083 0.000 2.467 248 N HA -0.015 4.711 4.740 -0.023 0.000 0.184 248 N C 0.428 175.884 175.510 -0.088 0.000 1.106 248 N CA 0.594 53.594 53.050 -0.083 0.000 0.892 248 N CB -0.673 37.756 38.487 -0.097 0.000 0.969 248 N HN 0.258 nan 8.380 nan 0.000 0.454 249 T N -1.334 113.169 114.554 -0.086 0.000 2.869 249 T HA 0.590 4.926 4.350 -0.023 0.000 0.295 249 T C 0.325 174.940 174.700 -0.143 0.000 0.987 249 T CA -0.978 61.099 62.100 -0.038 0.000 1.109 249 T CB 1.709 70.637 68.868 0.099 0.000 0.932 249 T HN 0.132 nan 8.240 nan 0.000 0.518 250 A N 5.328 128.005 122.820 -0.238 0.000 2.450 250 A HA 0.494 4.800 4.320 -0.023 0.000 0.255 250 A C -0.778 176.355 177.584 -0.752 0.000 1.096 250 A CA -1.620 50.199 52.037 -0.364 0.000 0.778 250 A CB 0.111 18.986 19.000 -0.209 0.000 1.031 250 A HN 0.766 nan 8.150 nan 0.000 0.494 251 P HA -0.112 nan 4.420 nan 0.000 0.217 251 P C 0.341 177.407 177.300 -0.390 0.000 1.151 251 P CA 1.391 64.257 63.100 -0.391 0.000 0.828 251 P CB 0.004 31.656 31.700 -0.080 0.000 0.788 252 N N -1.039 117.428 118.700 -0.388 0.000 2.234 252 N HA 0.025 4.752 4.740 -0.023 0.000 0.227 252 N C -0.014 175.391 175.510 -0.176 0.000 1.151 252 N CA -0.369 52.329 53.050 -0.586 0.000 0.865 252 N CB -0.757 37.443 38.487 -0.478 0.000 1.066 252 N HN 0.005 nan 8.380 nan 0.000 0.515 253 S N -0.321 115.340 115.700 -0.065 0.000 2.579 253 S HA 0.194 4.651 4.470 -0.023 0.000 0.275 253 S C 1.250 175.973 174.600 0.205 0.000 1.345 253 S CA -0.699 57.544 58.200 0.072 0.000 1.031 253 S CB 0.911 64.136 63.200 0.042 0.000 0.892 253 S HN 0.204 nan 8.310 nan 0.000 0.529 254 L N 0.010 121.364 121.223 0.218 0.000 2.109 254 L HA 0.077 4.404 4.340 -0.023 0.000 0.207 254 L C 1.025 178.032 176.870 0.228 0.000 1.086 254 L CA 0.983 55.980 54.840 0.262 0.000 0.760 254 L CB -0.282 41.869 42.059 0.153 0.000 0.910 254 L HN 0.646 nan 8.230 nan 0.000 0.437 255 E N -0.067 120.228 120.200 0.158 0.000 2.242 255 E HA 0.306 4.642 4.350 -0.023 0.000 0.275 255 E C -2.203 174.500 176.600 0.171 0.000 1.002 255 E CA -2.481 54.002 56.400 0.140 0.000 0.841 255 E CB 0.743 30.481 29.700 0.065 0.000 1.109 255 E HN -0.131 nan 8.360 nan 0.000 0.394 256 P HA -0.051 nan 4.420 nan 0.000 0.262 256 P C 0.610 178.029 177.300 0.198 0.000 1.182 256 P CA 0.444 63.682 63.100 0.230 0.000 0.761 256 P CB 0.486 32.181 31.700 -0.008 0.000 0.795 257 S N 0.606 116.475 115.700 0.282 0.000 2.528 257 S HA 0.027 4.484 4.470 -0.023 0.000 0.219 257 S C 0.892 175.771 174.600 0.464 0.000 0.985 257 S CA 0.557 58.914 58.200 0.262 0.000 0.914 257 S CB -0.704 62.570 63.200 0.124 0.000 0.776 257 S HN 0.578 nan 8.310 nan 0.000 0.526 258 T N -0.709 114.165 114.554 0.534 0.000 2.797 258 T HA 0.465 4.801 4.350 -0.023 0.000 0.267 258 T C 1.344 176.281 174.700 0.394 0.000 0.986 258 T CA 0.168 62.658 62.100 0.650 0.000 0.999 258 T CB 0.612 69.875 68.868 0.658 0.000 1.508 258 T HN 0.174 nan 8.240 nan 0.000 0.595 259 T N -1.903 112.862 114.554 0.351 0.000 3.043 259 T HA 0.069 4.405 4.350 -0.023 0.000 0.263 259 T C 1.182 175.850 174.700 -0.054 0.000 1.094 259 T CA 0.605 62.798 62.100 0.155 0.000 1.127 259 T CB -0.955 68.015 68.868 0.170 0.000 0.905 259 T HN 1.137 nan 8.240 nan 0.000 0.490 260 V N 1.022 120.837 119.914 -0.164 0.000 5.325 260 V HA -0.187 3.920 4.120 -0.023 0.000 0.291 260 V C 1.141 177.124 176.094 -0.185 0.000 0.541 260 V CA 1.006 63.003 62.300 -0.504 0.000 0.687 260 V CB -2.674 28.532 31.823 -1.028 0.000 0.491 260 V HN 0.628 nan 8.190 nan 0.000 1.145 261 L N 0.264 121.469 121.223 -0.029 0.000 2.592 261 L HA 0.024 4.351 4.340 -0.023 0.000 0.227 261 L C 2.312 179.266 176.870 0.141 0.000 1.127 261 L CA 0.975 55.858 54.840 0.072 0.000 0.884 261 L CB 0.176 42.133 42.059 -0.169 0.000 1.065 261 L HN 0.739 nan 8.230 nan 0.000 0.457 262 S N 0.363 116.111 115.700 0.079 0.000 2.370 262 S HA -0.086 4.370 4.470 -0.023 0.000 0.226 262 S C -0.568 174.035 174.600 0.004 0.000 1.033 262 S CA 0.869 59.121 58.200 0.087 0.000 1.011 262 S CB -1.643 61.644 63.200 0.145 0.000 0.852 262 S HN 0.227 nan 8.310 nan 0.000 0.457 263 P HA -0.016 nan 4.420 nan 0.000 0.218 263 P C 0.796 177.971 177.300 -0.209 0.000 1.149 263 P CA 1.056 63.916 63.100 -0.400 0.000 0.817 263 P CB -0.232 30.957 31.700 -0.853 0.000 0.785 264 Y N -1.038 119.358 120.300 0.160 0.000 2.263 264 Y HA -0.031 4.505 4.550 -0.023 0.000 0.292 264 Y C 2.278 178.302 175.900 0.207 0.000 1.130 264 Y CA 0.778 59.033 58.100 0.258 0.000 1.179 264 Y CB -1.332 37.225 38.460 0.162 0.000 0.998 264 Y HN -0.162 nan 8.280 nan 0.000 0.532 265 L N 0.073 121.448 121.223 0.254 0.000 2.156 265 L HA -0.144 4.182 4.340 -0.023 0.000 0.208 265 L C 2.616 179.601 176.870 0.191 0.000 1.095 265 L CA 1.097 56.047 54.840 0.184 0.000 0.770 265 L CB -0.417 41.725 42.059 0.138 0.000 0.914 265 L HN 0.101 nan 8.230 nan 0.000 0.439 266 K N 0.629 121.124 120.400 0.157 0.000 2.057 266 K HA -0.191 4.116 4.320 -0.023 0.000 0.207 266 K C 1.925 178.588 176.600 0.105 0.000 1.049 266 K CA 1.834 58.188 56.287 0.112 0.000 0.931 266 K CB -0.191 32.263 32.500 -0.077 0.000 0.714 266 K HN 0.230 nan 8.250 nan 0.000 0.440 267 F N -0.040 120.023 119.950 0.188 0.000 2.789 267 F HA 0.123 4.636 4.527 -0.023 0.000 0.300 267 F C 1.492 177.439 175.800 0.244 0.000 1.132 267 F CA 0.756 58.883 58.000 0.212 0.000 1.404 267 F CB 0.476 39.618 39.000 0.237 0.000 1.114 267 F HN 0.408 nan 8.300 nan 0.000 0.584 268 G N -0.790 108.261 108.800 0.419 0.000 2.159 268 G HA2 -0.329 3.617 3.960 -0.023 0.000 0.256 268 G HA3 -0.329 3.617 3.960 -0.023 0.000 0.256 268 G C 1.051 176.105 174.900 0.257 0.000 0.977 268 G CA 0.308 45.609 45.100 0.334 0.000 0.652 268 G HN 0.406 nan 8.290 nan 0.000 0.531 269 C N -0.929 118.564 119.300 0.322 0.000 2.425 269 C HA 0.310 4.757 4.460 -0.023 0.000 0.277 269 C C 1.290 176.438 174.990 0.263 0.000 1.280 269 C CA 1.187 60.371 59.018 0.277 0.000 1.744 269 C CB -0.880 27.103 27.740 0.406 0.000 1.989 269 C HN 0.665 nan 8.230 nan 0.000 0.491 270 L N 0.218 121.610 121.223 0.281 0.000 2.346 270 L HA 0.481 4.807 4.340 -0.023 0.000 0.276 270 L C 0.035 177.048 176.870 0.239 0.000 1.006 270 L CA 0.081 55.087 54.840 0.277 0.000 0.817 270 L CB 1.347 43.492 42.059 0.144 0.000 1.272 270 L HN -0.035 nan 8.230 nan 0.000 0.421 271 S N 3.483 119.405 115.700 0.370 0.000 2.481 271 S HA 0.451 4.907 4.470 -0.023 0.000 0.276 271 S C 1.304 176.022 174.600 0.197 0.000 1.247 271 S CA 0.039 58.373 58.200 0.224 0.000 1.053 271 S CB 0.941 64.302 63.200 0.270 0.000 0.925 271 S HN 0.923 nan 8.310 nan 0.000 0.491 272 A N 6.209 129.098 122.820 0.114 0.000 2.019 272 A HA -0.064 4.243 4.320 -0.023 0.000 0.219 272 A C 2.196 179.834 177.584 0.090 0.000 1.164 272 A CA 1.027 53.138 52.037 0.124 0.000 0.644 272 A CB -0.298 18.709 19.000 0.012 0.000 0.805 272 A HN 0.950 nan 8.150 nan 0.000 0.449 273 R N -1.104 119.423 120.500 0.045 0.000 2.093 273 R HA 0.016 4.342 4.340 -0.023 0.000 0.224 273 R C 2.045 178.370 176.300 0.042 0.000 1.101 273 R CA 1.140 57.239 56.100 -0.001 0.000 0.979 273 R CB -0.637 29.648 30.300 -0.025 0.000 0.877 273 R HN 0.456 nan 8.270 nan 0.000 0.441 274 L N 0.726 122.014 121.223 0.108 0.000 2.017 274 L HA -0.132 4.195 4.340 -0.023 0.000 0.208 274 L C 2.093 179.053 176.870 0.149 0.000 1.073 274 L CA 1.615 56.521 54.840 0.110 0.000 0.745 274 L CB -0.618 41.516 42.059 0.124 0.000 0.894 274 L HN 0.020 nan 8.230 nan 0.000 0.432 275 F N 0.691 120.642 119.950 0.002 0.000 2.134 275 F HA -0.214 4.299 4.527 -0.023 0.000 0.299 275 F C 2.468 178.255 175.800 -0.022 0.000 1.097 275 F CA 1.823 59.818 58.000 -0.009 0.000 1.264 275 F CB -0.974 38.031 39.000 0.008 0.000 1.001 275 F HN 0.422 nan 8.300 nan 0.000 0.479 276 N N 0.038 118.687 118.700 -0.086 0.000 2.104 276 N HA -0.281 4.446 4.740 -0.023 0.000 0.190 276 N C 2.034 177.462 175.510 -0.136 0.000 1.024 276 N CA 1.441 54.378 53.050 -0.189 0.000 0.853 276 N CB -0.282 38.129 38.487 -0.127 0.000 1.008 276 N HN 0.534 nan 8.380 nan 0.000 0.424 277 Q N 0.435 120.197 119.800 -0.063 0.000 2.046 277 Q HA -0.108 4.219 4.340 -0.023 0.000 0.200 277 Q C 1.848 177.824 176.000 -0.041 0.000 0.975 277 Q CA 1.067 56.843 55.803 -0.046 0.000 0.836 277 Q CB 0.147 28.874 28.738 -0.018 0.000 0.896 277 Q HN 0.202 nan 8.270 nan 0.000 0.428 278 K N 0.462 120.856 120.400 -0.010 0.000 2.063 278 K HA -0.163 4.144 4.320 -0.023 0.000 0.208 278 K C 2.160 178.737 176.600 -0.038 0.000 1.048 278 K CA 1.086 57.378 56.287 0.008 0.000 0.928 278 K CB -0.472 32.084 32.500 0.093 0.000 0.713 278 K HN 0.313 nan 8.250 nan 0.000 0.442 279 L N 0.920 122.069 121.223 -0.122 0.000 1.994 279 L HA -0.213 4.114 4.340 -0.023 0.000 0.208 279 L C 2.504 179.291 176.870 -0.139 0.000 1.071 279 L CA 1.508 56.242 54.840 -0.177 0.000 0.745 279 L CB -0.449 41.404 42.059 -0.344 0.000 0.892 279 L HN 0.157 nan 8.230 nan 0.000 0.431 280 K N 0.124 120.445 120.400 -0.132 0.000 2.074 280 K HA -0.222 4.085 4.320 -0.023 0.000 0.209 280 K C 1.991 178.537 176.600 -0.091 0.000 1.048 280 K CA 1.750 57.969 56.287 -0.112 0.000 0.926 280 K CB -0.155 32.292 32.500 -0.089 0.000 0.713 280 K HN 0.371 nan 8.250 nan 0.000 0.444 281 E N 0.501 120.663 120.200 -0.064 0.000 2.110 281 E HA -0.167 4.169 4.350 -0.023 0.000 0.193 281 E C 1.981 178.555 176.600 -0.043 0.000 0.988 281 E CA 0.996 57.370 56.400 -0.044 0.000 0.804 281 E CB -0.092 29.593 29.700 -0.026 0.000 0.745 281 E HN 0.314 nan 8.360 nan 0.000 0.458 282 I N 0.862 121.404 120.570 -0.047 0.000 2.286 282 I HA -0.220 3.936 4.170 -0.023 0.000 0.245 282 I C 2.126 178.203 176.117 -0.067 0.000 1.104 282 I CA 0.546 61.825 61.300 -0.034 0.000 1.397 282 I CB -0.104 37.887 38.000 -0.015 0.000 1.072 282 I HN 0.137 nan 8.210 nan 0.000 0.417 283 I N 1.046 121.535 120.570 -0.136 0.000 2.286 283 I HA -0.241 3.915 4.170 -0.023 0.000 0.248 283 I C 2.344 178.334 176.117 -0.212 0.000 1.115 283 I CA 1.563 62.702 61.300 -0.270 0.000 1.392 283 I CB -1.029 36.722 38.000 -0.416 0.000 1.065 283 I HN 0.261 nan 8.210 nan 0.000 0.418 284 K N 0.377 120.705 120.400 -0.120 0.000 2.209 284 K HA -0.112 4.194 4.320 -0.023 0.000 0.204 284 K C 2.046 178.638 176.600 -0.014 0.000 1.048 284 K CA 0.931 57.185 56.287 -0.055 0.000 0.940 284 K CB -0.040 32.436 32.500 -0.039 0.000 0.729 284 K HN 0.320 nan 8.250 nan 0.000 0.451 285 R N 0.127 120.619 120.500 -0.013 0.000 2.276 285 R HA 0.053 4.379 4.340 -0.023 0.000 0.196 285 R C 0.171 176.491 176.300 0.034 0.000 0.961 285 R CA 0.414 56.521 56.100 0.012 0.000 1.024 285 R CB 0.433 30.740 30.300 0.011 0.000 0.940 285 R HN 0.092 nan 8.270 nan 0.000 0.480 286 Q N 0.128 119.955 119.800 0.045 0.000 2.413 286 Q HA 0.206 4.533 4.340 -0.023 0.000 0.258 286 Q C -2.173 173.950 176.000 0.204 0.000 1.037 286 Q CA -1.920 53.940 55.803 0.096 0.000 0.764 286 Q CB 1.941 30.733 28.738 0.090 0.000 1.217 286 Q HN -0.054 nan 8.270 nan 0.000 0.490 287 P HA -0.136 nan 4.420 nan 0.000 0.215 287 P C -0.225 177.120 177.300 0.075 0.000 1.157 287 P CA 1.194 64.373 63.100 0.132 0.000 0.863 287 P CB 0.401 32.137 31.700 0.059 0.000 0.787 288 K N 1.081 121.511 120.400 0.049 0.000 2.349 288 K HA 0.148 4.454 4.320 -0.023 0.000 0.289 288 K C 0.237 176.871 176.600 0.056 0.000 1.064 288 K CA 0.024 56.300 56.287 -0.019 0.000 0.947 288 K CB -0.128 32.376 32.500 0.006 0.000 1.007 288 K HN 0.442 nan 8.250 nan 0.000 0.478 289 H N -0.725 118.350 119.070 0.009 0.000 3.068 289 H HA 0.196 4.738 4.556 -0.023 0.000 0.342 289 H C -1.029 174.304 175.328 0.009 0.000 1.284 289 H CA -1.028 55.024 56.048 0.006 0.000 1.181 289 H CB 0.749 30.513 29.762 0.003 0.000 1.898 289 H HN 0.539 nan 8.280 nan 0.000 0.540 290 S N 1.705 117.500 115.700 0.158 0.000 2.645 290 S HA 0.349 4.806 4.470 -0.023 0.000 0.266 290 S C -0.079 174.628 174.600 0.179 0.000 1.258 290 S CA -0.739 57.527 58.200 0.110 0.000 0.990 290 S CB 1.741 64.994 63.200 0.088 0.000 0.967 290 S HN 0.635 nan 8.310 nan 0.000 0.556 291 Q N -0.134 119.742 119.800 0.127 0.000 2.445 291 Q HA 0.566 4.893 4.340 -0.023 0.000 0.281 291 Q C -2.846 173.230 176.000 0.127 0.000 1.101 291 Q CA -2.297 53.583 55.803 0.129 0.000 0.833 291 Q CB 1.090 29.888 28.738 0.100 0.000 1.416 291 Q HN 0.415 nan 8.270 nan 0.000 0.451 292 P HA 0.073 nan 4.420 nan 0.000 0.272 292 P C -1.715 175.712 177.300 0.211 0.000 1.223 292 P CA -0.786 62.428 63.100 0.191 0.000 0.784 292 P CB 0.247 32.059 31.700 0.186 0.000 0.923 293 P HA -0.095 nan 4.420 nan 0.000 0.222 293 P C 1.272 178.727 177.300 0.257 0.000 1.153 293 P CA 1.083 64.291 63.100 0.179 0.000 0.798 293 P CB -0.258 31.491 31.700 0.082 0.000 0.796 294 V N -1.155 118.866 119.914 0.177 0.000 2.626 294 V HA -0.076 4.030 4.120 -0.023 0.000 0.252 294 V C 1.381 177.613 176.094 0.231 0.000 1.067 294 V CA 1.104 63.495 62.300 0.151 0.000 1.081 294 V CB -1.911 29.961 31.823 0.081 0.000 0.686 294 V HN 0.209 nan 8.190 nan 0.000 0.468 295 S N 0.040 115.866 115.700 0.210 0.000 2.589 295 S HA 0.230 4.687 4.470 -0.023 0.000 0.265 295 S C 0.861 175.530 174.600 0.116 0.000 1.342 295 S CA 0.104 58.431 58.200 0.211 0.000 1.005 295 S CB 1.192 64.460 63.200 0.114 0.000 0.909 295 S HN 0.325 nan 8.310 nan 0.000 0.555 296 L N 1.301 122.430 121.223 -0.156 0.000 2.083 296 L HA 0.050 4.376 4.340 -0.023 0.000 0.209 296 L C 2.143 178.840 176.870 -0.290 0.000 1.083 296 L CA 1.427 55.926 54.840 -0.568 0.000 0.752 296 L CB -1.013 40.567 42.059 -0.799 0.000 0.899 296 L HN 0.881 nan 8.230 nan 0.000 0.433 297 I N -0.978 119.472 120.570 -0.200 0.000 2.226 297 I HA -0.228 3.929 4.170 -0.023 0.000 0.245 297 I C 2.420 178.519 176.117 -0.029 0.000 1.100 297 I CA 1.225 62.432 61.300 -0.155 0.000 1.374 297 I CB -0.931 36.995 38.000 -0.124 0.000 1.057 297 I HN 0.397 nan 8.210 nan 0.000 0.413 298 G N 0.190 109.020 108.800 0.050 0.000 2.442 298 G HA2 -0.251 3.696 3.960 -0.023 0.000 0.219 298 G HA3 -0.251 3.696 3.960 -0.023 0.000 0.219 298 G C 1.523 176.580 174.900 0.261 0.000 1.141 298 G CA 0.446 45.645 45.100 0.164 0.000 0.763 298 G HN 0.295 nan 8.290 nan 0.000 0.554 299 Q N -0.141 119.799 119.800 0.234 0.000 2.096 299 Q HA -0.046 4.280 4.340 -0.023 0.000 0.204 299 Q C 2.588 178.739 176.000 0.251 0.000 0.982 299 Q CA 0.712 56.681 55.803 0.276 0.000 0.850 299 Q CB -0.874 27.923 28.738 0.099 0.000 0.901 299 Q HN 0.445 nan 8.270 nan 0.000 0.422 300 L N 0.159 121.460 121.223 0.130 0.000 2.083 300 L HA -0.102 4.225 4.340 -0.023 0.000 0.209 300 L C 2.072 179.046 176.870 0.173 0.000 1.083 300 L CA 1.440 56.354 54.840 0.123 0.000 0.752 300 L CB -0.430 41.623 42.059 -0.011 0.000 0.899 300 L HN 0.165 nan 8.230 nan 0.000 0.433 301 M N -2.805 116.891 119.600 0.160 0.000 2.319 301 M HA -0.190 4.276 4.480 -0.023 0.000 0.265 301 M C 2.140 178.533 176.300 0.156 0.000 1.068 301 M CA 1.161 56.563 55.300 0.170 0.000 1.118 301 M CB -1.370 31.263 32.600 0.054 0.000 1.395 301 M HN 0.332 nan 8.290 nan 0.000 0.435 302 W N 0.728 122.163 121.300 0.226 0.000 2.363 302 W HA -0.141 4.507 4.660 -0.020 0.000 0.296 302 W C 2.753 179.366 176.519 0.156 0.000 1.212 302 W CA 1.074 58.478 57.345 0.099 0.000 1.260 302 W CB -0.401 29.034 29.460 -0.041 0.000 1.131 302 W HN 0.234 nan 8.180 nan 0.000 0.530 303 R N 0.871 121.628 120.500 0.427 0.000 2.073 303 R HA -0.184 4.143 4.340 -0.023 0.000 0.234 303 R C 2.027 178.570 176.300 0.405 0.000 1.134 303 R CA 1.865 58.218 56.100 0.422 0.000 0.952 303 R CB -0.341 30.150 30.300 0.318 0.000 0.850 303 R HN 0.063 nan 8.270 nan 0.000 0.433 304 E N 0.031 120.402 120.200 0.284 0.000 2.110 304 E HA -0.221 4.115 4.350 -0.023 0.000 0.193 304 E C 1.768 178.352 176.600 -0.026 0.000 0.988 304 E CA 1.079 57.645 56.400 0.277 0.000 0.804 304 E CB -0.391 29.596 29.700 0.477 0.000 0.745 304 E HN 0.360 nan 8.360 nan 0.000 0.458 305 F N 1.071 120.629 119.950 -0.654 0.000 2.069 305 F HA -0.274 4.239 4.527 -0.022 0.000 0.298 305 F C 2.127 177.571 175.800 -0.594 0.000 1.113 305 F CA 1.464 58.694 58.000 -1.283 0.000 1.214 305 F CB -0.469 37.859 39.000 -1.120 0.000 0.978 305 F HN -0.073 nan 8.300 nan 0.000 0.474 306 Y N -1.114 119.071 120.300 -0.191 0.000 2.242 306 Y HA -0.203 4.334 4.550 -0.023 0.000 0.291 306 Y C 2.350 178.032 175.900 -0.362 0.000 1.137 306 Y CA 1.657 59.588 58.100 -0.282 0.000 1.181 306 Y CB -1.319 37.132 38.460 -0.015 0.000 0.989 306 Y HN 0.135 nan 8.280 nan 0.000 0.527 307 Y N -0.352 119.938 120.300 -0.016 0.000 2.274 307 Y HA -0.244 4.293 4.550 -0.023 0.000 0.290 307 Y C 2.520 178.371 175.900 -0.081 0.000 1.145 307 Y CA 1.938 60.040 58.100 0.004 0.000 1.203 307 Y CB -0.585 37.944 38.460 0.115 0.000 0.984 307 Y HN 0.031 nan 8.280 nan 0.000 0.533 308 T N -0.621 113.916 114.554 -0.028 0.000 2.770 308 T HA -0.158 4.179 4.350 -0.023 0.000 0.263 308 T C 2.117 176.716 174.700 -0.168 0.000 1.039 308 T CA 1.682 63.760 62.100 -0.037 0.000 1.142 308 T CB -0.724 68.181 68.868 0.062 0.000 0.868 308 T HN 0.319 nan 8.240 nan 0.000 0.435 309 V N 0.988 120.632 119.914 -0.450 0.000 2.427 309 V HA 0.039 4.145 4.120 -0.023 0.000 0.248 309 V C 2.723 178.552 176.094 -0.442 0.000 1.051 309 V CA 1.339 63.379 62.300 -0.434 0.000 1.048 309 V CB -1.615 29.748 31.823 -0.765 0.000 0.666 309 V HN 0.416 nan 8.190 nan 0.000 0.456 310 A N 0.934 123.255 122.820 -0.833 0.000 1.933 310 A HA 0.079 4.385 4.320 -0.023 0.000 0.218 310 A C 2.439 179.955 177.584 -0.112 0.000 1.175 310 A CA 2.128 53.577 52.037 -0.979 0.000 0.628 310 A CB -1.035 17.396 19.000 -0.949 0.000 0.814 310 A HN 0.953 nan 8.150 nan 0.000 0.444 311 A N -0.663 122.161 122.820 0.008 0.000 2.125 311 A HA 0.264 4.570 4.320 -0.023 0.000 0.219 311 A C 2.057 179.723 177.584 0.137 0.000 1.156 311 A CA 1.654 53.773 52.037 0.136 0.000 0.671 311 A CB -0.536 18.550 19.000 0.144 0.000 0.794 311 A HN 1.071 nan 8.150 nan 0.000 0.459 312 A N -1.312 121.590 122.820 0.136 0.000 2.308 312 A HA 0.420 4.727 4.320 -0.023 0.000 0.217 312 A C 0.483 178.178 177.584 0.185 0.000 1.216 312 A CA 0.573 52.705 52.037 0.159 0.000 0.864 312 A CB 0.101 19.210 19.000 0.182 0.000 0.902 312 A HN 0.278 nan 8.150 nan 0.000 0.499 313 E N 0.062 120.412 120.200 0.251 0.000 2.528 313 E HA 0.281 4.618 4.350 -0.023 0.000 0.277 313 E C -2.328 174.525 176.600 0.423 0.000 0.980 313 E CA -1.888 54.696 56.400 0.306 0.000 0.796 313 E CB 1.422 31.374 29.700 0.420 0.000 1.427 313 E HN 0.033 nan 8.360 nan 0.000 0.394 314 P HA -0.110 nan 4.420 nan 0.000 0.221 314 P C 0.110 177.675 177.300 0.442 0.000 1.145 314 P CA 0.749 64.057 63.100 0.348 0.000 0.795 314 P CB 0.399 32.211 31.700 0.188 0.000 0.775 315 N N -1.093 117.832 118.700 0.375 0.000 2.313 315 N HA 0.030 4.756 4.740 -0.023 0.000 0.207 315 N C 1.022 176.772 175.510 0.400 0.000 1.141 315 N CA -0.231 53.024 53.050 0.340 0.000 0.830 315 N CB -0.816 37.800 38.487 0.215 0.000 1.008 315 N HN 0.052 nan 8.380 nan 0.000 0.481 316 F N 2.568 122.700 119.950 0.303 0.000 2.236 316 F HA -0.204 4.309 4.527 -0.022 0.000 0.302 316 F C 1.410 177.257 175.800 0.077 0.000 1.073 316 F CA 1.317 59.390 58.000 0.122 0.000 1.336 316 F CB 0.118 39.013 39.000 -0.177 0.000 1.040 316 F HN 0.102 nan 8.300 nan 0.000 0.507 317 D N -0.815 119.683 120.400 0.163 0.000 2.336 317 D HA 0.088 4.715 4.640 -0.023 0.000 0.228 317 D C 0.255 176.636 176.300 0.136 0.000 1.120 317 D CA 0.041 54.115 54.000 0.123 0.000 0.839 317 D CB -0.238 40.661 40.800 0.165 0.000 0.932 317 D HN 0.233 nan 8.370 nan 0.000 0.509 318 R N -0.777 119.835 120.500 0.187 0.000 2.808 318 R HA 0.415 4.742 4.340 -0.023 0.000 0.272 318 R C 0.721 177.113 176.300 0.153 0.000 0.995 318 R CA -0.713 55.359 56.100 -0.046 0.000 0.917 318 R CB 1.909 32.205 30.300 -0.007 0.000 1.217 318 R HN -0.082 nan 8.270 nan 0.000 0.471 319 M N 0.954 120.550 119.600 -0.006 0.000 2.134 319 M HA 0.149 4.615 4.480 -0.023 0.000 0.262 319 M C -0.034 176.337 176.300 0.119 0.000 1.076 319 M CA 1.426 56.849 55.300 0.206 0.000 1.143 319 M CB 0.342 33.029 32.600 0.145 0.000 1.346 319 M HN 0.395 nan 8.290 nan 0.000 0.421 320 L N 1.431 122.680 121.223 0.044 0.000 2.462 320 L HA 0.101 4.427 4.340 -0.023 0.000 0.272 320 L C 1.064 177.965 176.870 0.052 0.000 1.166 320 L CA 0.602 55.463 54.840 0.035 0.000 0.880 320 L CB 0.215 42.279 42.059 0.008 0.000 1.142 320 L HN 0.790 nan 8.230 nan 0.000 0.473 321 G N 2.265 111.093 108.800 0.047 0.000 2.143 321 G HA2 -0.291 3.656 3.960 -0.023 0.000 0.249 321 G HA3 -0.291 3.656 3.960 -0.023 0.000 0.249 321 G C 0.166 175.104 174.900 0.064 0.000 0.981 321 G CA 0.022 45.151 45.100 0.048 0.000 0.665 321 G HN 0.662 nan 8.290 nan 0.000 0.528 322 N N 0.358 119.104 118.700 0.078 0.000 2.457 322 N HA 0.418 5.144 4.740 -0.023 0.000 0.250 322 N C 1.371 176.892 175.510 0.018 0.000 0.982 322 N CA 0.299 53.408 53.050 0.098 0.000 0.941 322 N CB 1.604 40.192 38.487 0.168 0.000 1.120 322 N HN 0.161 nan 8.380 nan 0.000 0.505 323 V N 5.628 125.486 119.914 -0.095 0.000 2.332 323 V HA -0.260 3.847 4.120 -0.023 0.000 0.248 323 V C 1.050 177.022 176.094 -0.203 0.000 1.055 323 V CA 1.860 64.035 62.300 -0.208 0.000 1.038 323 V CB -0.623 30.982 31.823 -0.364 0.000 0.651 323 V HN 0.682 nan 8.190 nan 0.000 0.450 324 Y N -0.599 119.744 120.300 0.072 0.000 2.242 324 Y HA 0.028 4.564 4.550 -0.022 0.000 0.291 324 Y C 1.818 177.642 175.900 -0.126 0.000 1.137 324 Y CA 0.709 58.795 58.100 -0.024 0.000 1.181 324 Y CB -1.140 37.314 38.460 -0.010 0.000 0.989 324 Y HN 0.302 nan 8.280 nan 0.000 0.527 325 C N 2.237 121.570 119.300 0.055 0.000 2.576 325 C HA 0.345 4.791 4.460 -0.023 0.000 0.401 325 C C 0.712 175.706 174.990 0.006 0.000 1.314 325 C CA -1.359 57.663 59.018 0.007 0.000 1.855 325 C CB -1.484 26.321 27.740 0.108 0.000 2.537 325 C HN 0.343 nan 8.230 nan 0.000 0.578 326 M N 5.654 125.235 119.600 -0.032 0.000 2.248 326 M HA 0.142 4.608 4.480 -0.023 0.000 0.345 326 M C 0.200 176.502 176.300 0.005 0.000 1.243 326 M CA 1.058 56.319 55.300 -0.065 0.000 1.090 326 M CB 0.472 32.987 32.600 -0.141 0.000 1.683 326 M HN 0.607 nan 8.290 nan 0.000 0.450 327 Q N 6.147 125.927 119.800 -0.033 0.000 2.337 327 Q HA 0.417 4.744 4.340 -0.023 0.000 0.255 327 Q C -1.057 174.876 176.000 -0.112 0.000 0.997 327 Q CA 0.290 56.075 55.803 -0.030 0.000 0.925 327 Q CB 0.219 28.940 28.738 -0.029 0.000 1.212 327 Q HN 0.693 nan 8.270 nan 0.000 0.436 328 I N 4.309 124.742 120.570 -0.229 0.000 2.498 328 I HA 0.255 4.411 4.170 -0.023 0.000 0.290 328 I C -2.086 173.617 176.117 -0.691 0.000 1.032 328 I CA -2.380 58.589 61.300 -0.551 0.000 1.073 328 I CB 2.528 39.932 38.000 -0.993 0.000 1.251 328 I HN 0.237 nan 8.210 nan 0.000 0.426 329 P HA 0.045 nan 4.420 nan 0.000 0.231 329 P C -0.926 176.364 177.300 -0.016 0.000 1.756 329 P CA -0.189 62.835 63.100 -0.128 0.000 0.990 329 P CB -0.566 31.146 31.700 0.021 0.000 1.973 330 W N 0.889 122.145 121.300 -0.074 0.000 2.187 330 W HA 0.118 4.764 4.660 -0.024 0.000 0.348 330 W C 0.985 177.492 176.519 -0.020 0.000 1.282 330 W CA -0.308 56.877 57.345 -0.268 0.000 1.271 330 W CB 0.173 29.406 29.460 -0.379 0.000 1.170 330 W HN 0.199 nan 8.180 nan 0.000 0.583 331 Q N 0.884 120.881 119.800 0.329 0.000 2.359 331 Q HA 0.254 4.580 4.340 -0.023 0.000 0.275 331 Q C -0.566 175.406 176.000 -0.047 0.000 1.082 331 Q CA -1.104 54.788 55.803 0.148 0.000 0.849 331 Q CB 1.784 30.649 28.738 0.213 0.000 1.377 331 Q HN 0.330 nan 8.270 nan 0.000 0.452 332 E N 1.899 121.962 120.200 -0.228 0.000 2.146 332 E HA 0.220 4.556 4.350 -0.023 0.000 0.282 332 E C -0.805 175.530 176.600 -0.441 0.000 0.989 332 E CA -0.177 56.088 56.400 -0.225 0.000 0.799 332 E CB 0.835 30.445 29.700 -0.151 0.000 1.088 332 E HN 0.462 nan 8.360 nan 0.000 0.397 333 H N 3.135 122.206 119.070 0.002 0.000 2.607 333 H HA 0.170 4.713 4.556 -0.021 0.000 0.248 333 H C -1.891 173.426 175.328 -0.019 0.000 1.355 333 H CA -1.749 54.282 56.048 -0.027 0.000 1.524 333 H CB 1.098 30.882 29.762 0.037 0.000 1.563 333 H HN 0.282 nan 8.280 nan 0.000 0.509 334 P HA -0.127 nan 4.420 nan 0.000 0.216 334 P C 1.070 178.421 177.300 0.084 0.000 1.153 334 P CA 1.043 64.172 63.100 0.048 0.000 0.848 334 P CB 0.719 32.428 31.700 0.015 0.000 0.787 335 D N -1.238 119.196 120.400 0.058 0.000 2.097 335 D HA -0.162 4.464 4.640 -0.023 0.000 0.195 335 D C 2.011 178.448 176.300 0.228 0.000 0.989 335 D CA 1.248 55.309 54.000 0.101 0.000 0.827 335 D CB -1.080 39.747 40.800 0.045 0.000 0.966 335 D HN 0.407 nan 8.370 nan 0.000 0.456 336 H N -0.385 118.779 119.070 0.156 0.000 2.387 336 H HA -0.081 4.463 4.556 -0.020 0.000 0.299 336 H C 2.063 177.518 175.328 0.213 0.000 1.090 336 H CA 0.343 56.496 56.048 0.175 0.000 1.332 336 H CB 0.104 29.937 29.762 0.119 0.000 1.386 336 H HN 0.019 nan 8.280 nan 0.000 0.516 337 L N 1.447 122.845 121.223 0.291 0.000 2.046 337 L HA -0.162 4.165 4.340 -0.023 0.000 0.208 337 L C 2.266 179.307 176.870 0.285 0.000 1.077 337 L CA 1.808 56.783 54.840 0.225 0.000 0.747 337 L CB -0.455 41.666 42.059 0.105 0.000 0.896 337 L HN 0.140 nan 8.230 nan 0.000 0.432 338 E N -0.208 120.137 120.200 0.241 0.000 2.110 338 E HA -0.156 4.180 4.350 -0.023 0.000 0.193 338 E C 2.070 178.851 176.600 0.301 0.000 0.988 338 E CA 1.504 58.058 56.400 0.257 0.000 0.804 338 E CB -0.319 29.505 29.700 0.207 0.000 0.745 338 E HN 0.552 nan 8.360 nan 0.000 0.458 339 A N -0.245 122.749 122.820 0.289 0.000 1.898 339 A HA -0.116 4.191 4.320 -0.023 0.000 0.216 339 A C 2.113 179.858 177.584 0.268 0.000 1.181 339 A CA 1.323 53.513 52.037 0.256 0.000 0.620 339 A CB -1.216 17.931 19.000 0.246 0.000 0.819 339 A HN 0.622 nan 8.150 nan 0.000 0.442 340 W N 1.151 122.538 121.300 0.145 0.000 2.355 340 W HA -0.151 4.494 4.660 -0.025 0.000 0.309 340 W C 2.189 178.742 176.519 0.057 0.000 1.206 340 W CA 2.499 59.916 57.345 0.120 0.000 1.284 340 W CB -0.566 28.996 29.460 0.171 0.000 1.145 340 W HN 0.257 nan 8.180 nan 0.000 0.502 341 T N -0.384 114.325 114.554 0.258 0.000 2.699 341 T HA -0.268 4.068 4.350 -0.023 0.000 0.268 341 T C 1.083 175.553 174.700 -0.383 0.000 1.036 341 T CA 1.794 63.837 62.100 -0.094 0.000 1.147 341 T CB -0.489 68.347 68.868 -0.053 0.000 0.862 341 T HN 0.261 nan 8.240 nan 0.000 0.446 342 H N -0.352 118.696 119.070 -0.038 0.000 2.505 342 H HA 0.372 4.914 4.556 -0.024 0.000 0.289 342 H C 1.554 176.832 175.328 -0.083 0.000 1.052 342 H CA 0.270 56.285 56.048 -0.055 0.000 1.156 342 H CB -0.045 29.713 29.762 -0.007 0.000 1.507 342 H HN 0.478 nan 8.280 nan 0.000 0.548 343 G N 2.232 110.984 108.800 -0.080 0.000 2.338 343 G HA2 -0.328 3.619 3.960 -0.023 0.000 0.296 343 G HA3 -0.328 3.619 3.960 -0.023 0.000 0.296 343 G C 0.576 175.474 174.900 -0.002 0.000 1.040 343 G CA -0.001 45.047 45.100 -0.087 0.000 1.004 343 G HN 0.454 nan 8.290 nan 0.000 0.509 344 R N -0.331 120.183 120.500 0.023 0.000 2.748 344 R HA 0.186 4.512 4.340 -0.023 0.000 0.395 344 R C 1.997 178.295 176.300 -0.004 0.000 1.128 344 R CA 0.456 56.544 56.100 -0.020 0.000 1.042 344 R CB 0.094 30.396 30.300 0.004 0.000 1.392 344 R HN 0.449 nan 8.270 nan 0.000 0.582 345 T N -2.906 111.680 114.554 0.054 0.000 2.995 345 T HA 0.022 4.359 4.350 -0.023 0.000 0.269 345 T C 1.619 176.395 174.700 0.127 0.000 1.091 345 T CA 1.203 63.398 62.100 0.158 0.000 1.128 345 T CB 0.202 69.190 68.868 0.200 0.000 0.891 345 T HN 0.446 nan 8.240 nan 0.000 0.492 346 G N 0.181 108.975 108.800 -0.010 0.000 2.195 346 G HA2 -0.232 3.714 3.960 -0.023 0.000 0.246 346 G HA3 -0.232 3.714 3.960 -0.023 0.000 0.246 346 G C -0.121 174.911 174.900 0.220 0.000 0.984 346 G CA -0.002 45.080 45.100 -0.030 0.000 0.633 346 G HN 0.620 nan 8.290 nan 0.000 0.525 347 Y N 0.953 121.420 120.300 0.277 0.000 2.594 347 Y HA 0.422 4.959 4.550 -0.023 0.000 0.342 347 Y C -0.926 175.128 175.900 0.256 0.000 1.010 347 Y CA -1.790 56.506 58.100 0.326 0.000 1.270 347 Y CB 1.494 40.026 38.460 0.119 0.000 1.125 347 Y HN 0.007 nan 8.280 nan 0.000 0.513 348 P HA -0.282 nan 4.420 nan 0.000 0.216 348 P C 1.674 179.072 177.300 0.164 0.000 1.154 348 P CA 1.479 64.660 63.100 0.136 0.000 0.865 348 P CB 0.062 31.689 31.700 -0.123 0.000 0.789 349 F N 0.207 120.220 119.950 0.106 0.000 2.102 349 F HA -0.173 4.344 4.527 -0.017 0.000 0.298 349 F C 1.977 177.847 175.800 0.116 0.000 1.105 349 F CA 1.417 59.505 58.000 0.146 0.000 1.239 349 F CB -0.809 38.361 39.000 0.282 0.000 0.991 349 F HN -0.247 nan 8.300 nan 0.000 0.474 350 I N 0.549 121.120 120.570 0.001 0.000 2.226 350 I HA -0.258 3.899 4.170 -0.023 0.000 0.245 350 I C 1.994 177.985 176.117 -0.210 0.000 1.100 350 I CA 1.415 62.579 61.300 -0.227 0.000 1.374 350 I CB -1.480 36.312 38.000 -0.347 0.000 1.057 350 I HN 0.152 nan 8.210 nan 0.000 0.413 351 D N 1.139 121.498 120.400 -0.068 0.000 2.144 351 D HA -0.083 4.544 4.640 -0.023 0.000 0.200 351 D C 2.304 178.555 176.300 -0.081 0.000 0.978 351 D CA 1.457 55.429 54.000 -0.047 0.000 0.833 351 D CB -0.061 40.806 40.800 0.112 0.000 0.961 351 D HN 0.280 nan 8.370 nan 0.000 0.470 352 A N 0.794 123.579 122.820 -0.058 0.000 1.908 352 A HA -0.164 4.143 4.320 -0.023 0.000 0.218 352 A C 2.366 179.823 177.584 -0.212 0.000 1.181 352 A CA 1.038 53.021 52.037 -0.091 0.000 0.627 352 A CB -0.726 18.270 19.000 -0.006 0.000 0.818 352 A HN 0.204 nan 8.150 nan 0.000 0.445 353 I N -0.952 119.513 120.570 -0.175 0.000 2.202 353 I HA -0.245 3.911 4.170 -0.023 0.000 0.242 353 I C 2.509 178.438 176.117 -0.313 0.000 1.091 353 I CA 1.105 62.269 61.300 -0.227 0.000 1.368 353 I CB -0.326 37.466 38.000 -0.347 0.000 1.058 353 I HN 0.235 nan 8.210 nan 0.000 0.410 354 M N 0.231 119.635 119.600 -0.327 0.000 2.213 354 M HA -0.141 4.325 4.480 -0.023 0.000 0.263 354 M C 2.317 178.446 176.300 -0.284 0.000 1.062 354 M CA 1.652 56.728 55.300 -0.373 0.000 1.105 354 M CB -1.182 31.127 32.600 -0.484 0.000 1.385 354 M HN 0.200 nan 8.290 nan 0.000 0.417 355 R N -0.549 119.814 120.500 -0.228 0.000 2.075 355 R HA -0.110 4.217 4.340 -0.023 0.000 0.226 355 R C 2.219 178.387 176.300 -0.220 0.000 1.114 355 R CA 1.061 57.070 56.100 -0.152 0.000 0.972 355 R CB -0.355 29.916 30.300 -0.048 0.000 0.869 355 R HN 0.490 nan 8.270 nan 0.000 0.437 356 Q N 0.994 120.496 119.800 -0.496 0.000 2.084 356 Q HA -0.197 4.129 4.340 -0.023 0.000 0.202 356 Q C 2.105 177.930 176.000 -0.291 0.000 0.978 356 Q CA 1.421 56.826 55.803 -0.663 0.000 0.844 356 Q CB -0.054 28.072 28.738 -1.021 0.000 0.898 356 Q HN 0.207 nan 8.270 nan 0.000 0.426 357 L N 1.067 122.114 121.223 -0.293 0.000 1.989 357 L HA -0.215 4.111 4.340 -0.023 0.000 0.211 357 L C 2.513 179.281 176.870 -0.171 0.000 1.071 357 L CA 2.252 56.936 54.840 -0.260 0.000 0.749 357 L CB -0.673 41.161 42.059 -0.374 0.000 0.890 357 L HN 0.192 nan 8.230 nan 0.000 0.431 358 R N -1.047 119.358 120.500 -0.158 0.000 2.081 358 R HA -0.188 4.139 4.340 -0.023 0.000 0.235 358 R C 2.299 178.581 176.300 -0.030 0.000 1.131 358 R CA 1.954 57.999 56.100 -0.091 0.000 0.960 358 R CB -0.244 30.009 30.300 -0.079 0.000 0.856 358 R HN 0.590 nan 8.270 nan 0.000 0.436 359 Q N -0.371 119.419 119.800 -0.017 0.000 2.079 359 Q HA -0.151 4.175 4.340 -0.023 0.000 0.200 359 Q C 1.410 177.448 176.000 0.063 0.000 0.974 359 Q CA 1.856 57.681 55.803 0.036 0.000 0.840 359 Q CB 0.194 28.978 28.738 0.077 0.000 0.898 359 Q HN 0.505 nan 8.270 nan 0.000 0.430 360 E N -1.873 118.370 120.200 0.071 0.000 2.465 360 E HA 0.150 4.487 4.350 -0.023 0.000 0.209 360 E C 0.762 177.492 176.600 0.217 0.000 0.951 360 E CA 0.357 56.849 56.400 0.153 0.000 0.997 360 E CB 1.161 30.985 29.700 0.206 0.000 1.025 360 E HN 0.415 nan 8.360 nan 0.000 0.500 361 G N 1.350 110.219 108.800 0.115 0.000 2.179 361 G HA2 -0.281 3.666 3.960 -0.023 0.000 0.260 361 G HA3 -0.281 3.666 3.960 -0.023 0.000 0.260 361 G C -0.463 174.504 174.900 0.110 0.000 0.977 361 G CA 0.495 45.644 45.100 0.082 0.000 0.641 361 G HN 0.278 nan 8.290 nan 0.000 0.533 362 W N 0.804 122.075 121.300 -0.049 0.000 3.129 362 W HA 0.671 5.318 4.660 -0.022 0.000 0.333 362 W C -0.531 175.932 176.519 -0.094 0.000 1.141 362 W CA -0.974 56.294 57.345 -0.129 0.000 1.224 362 W CB 0.986 30.301 29.460 -0.242 0.000 1.393 362 W HN 0.497 nan 8.180 nan 0.000 0.499 363 I N 1.687 121.660 120.570 -0.994 0.000 2.969 363 I HA 0.437 4.594 4.170 -0.023 0.000 0.307 363 I C -0.394 174.751 176.117 -1.619 0.000 1.149 363 I CA -1.305 59.422 61.300 -0.955 0.000 1.008 363 I CB 2.029 39.694 38.000 -0.559 0.000 1.232 363 I HN 0.492 nan 8.210 nan 0.000 0.435 364 H N 2.504 120.904 119.070 -1.116 0.000 2.690 364 H HA 0.065 4.608 4.556 -0.022 0.000 0.365 364 H C 0.600 175.671 175.328 -0.429 0.000 1.142 364 H CA 0.704 56.317 56.048 -0.724 0.000 1.417 364 H CB 0.997 30.639 29.762 -0.201 0.000 1.446 364 H HN 0.939 nan 8.280 nan 0.000 0.599 365 H N 3.698 122.204 119.070 -0.941 0.000 2.321 365 H HA -0.170 4.373 4.556 -0.022 0.000 0.295 365 H C 1.937 177.036 175.328 -0.382 0.000 1.102 365 H CA 2.559 58.237 56.048 -0.616 0.000 1.266 365 H CB 0.022 29.420 29.762 -0.607 0.000 1.363 365 H HN 0.609 nan 8.280 nan 0.000 0.492 366 L N -0.610 120.459 121.223 -0.256 0.000 2.313 366 L HA 0.010 4.337 4.340 -0.023 0.000 0.214 366 L C 2.755 179.617 176.870 -0.013 0.000 1.119 366 L CA 0.609 55.366 54.840 -0.140 0.000 0.809 366 L CB -0.473 41.710 42.059 0.207 0.000 0.933 366 L HN 0.428 nan 8.230 nan 0.000 0.449 367 A N 0.532 123.349 122.820 -0.005 0.000 1.930 367 A HA -0.180 4.127 4.320 -0.023 0.000 0.217 367 A C 2.370 179.840 177.584 -0.191 0.000 1.175 367 A CA 1.202 53.161 52.037 -0.130 0.000 0.627 367 A CB -0.343 18.521 19.000 -0.227 0.000 0.815 367 A HN 0.326 nan 8.150 nan 0.000 0.443 368 R N -1.169 119.185 120.500 -0.243 0.000 2.081 368 R HA -0.115 4.211 4.340 -0.023 0.000 0.235 368 R C 2.138 178.277 176.300 -0.268 0.000 1.131 368 R CA 1.431 57.419 56.100 -0.186 0.000 0.960 368 R CB -0.650 29.513 30.300 -0.229 0.000 0.856 368 R HN 0.703 nan 8.270 nan 0.000 0.436 369 H N 0.291 119.033 119.070 -0.547 0.000 2.319 369 H HA -0.129 4.412 4.556 -0.024 0.000 0.299 369 H C 2.231 177.215 175.328 -0.573 0.000 1.092 369 H CA 1.344 57.001 56.048 -0.652 0.000 1.302 369 H CB 0.001 29.221 29.762 -0.904 0.000 1.373 369 H HN 0.326 nan 8.280 nan 0.000 0.497 370 A N 0.852 123.470 122.820 -0.337 0.000 1.883 370 A HA -0.185 4.121 4.320 -0.023 0.000 0.217 370 A C 2.705 180.307 177.584 0.029 0.000 1.186 370 A CA 2.537 54.490 52.037 -0.140 0.000 0.624 370 A CB -0.988 18.095 19.000 0.138 0.000 0.822 370 A HN 0.360 nan 8.150 nan 0.000 0.444 371 V N -3.094 116.850 119.914 0.050 0.000 2.788 371 V HA 0.207 4.313 4.120 -0.023 0.000 0.251 371 V C 2.457 178.826 176.094 0.459 0.000 1.068 371 V CA 1.404 63.899 62.300 0.325 0.000 1.090 371 V CB -1.118 30.860 31.823 0.257 0.000 0.710 371 V HN 0.507 nan 8.190 nan 0.000 0.467 372 A N -0.322 122.531 122.820 0.056 0.000 1.898 372 A HA -0.196 4.111 4.320 -0.023 0.000 0.216 372 A C 2.416 179.969 177.584 -0.051 0.000 1.181 372 A CA 1.856 53.761 52.037 -0.220 0.000 0.620 372 A CB -1.284 17.119 19.000 -0.995 0.000 0.819 372 A HN 0.656 nan 8.150 nan 0.000 0.442 373 C N -1.599 117.679 119.300 -0.038 0.000 2.432 373 C HA -0.093 4.354 4.460 -0.023 0.000 0.277 373 C C 2.430 177.504 174.990 0.140 0.000 1.249 373 C CA 1.193 60.252 59.018 0.068 0.000 1.725 373 C CB -1.538 26.308 27.740 0.176 0.000 2.028 373 C HN 0.641 nan 8.230 nan 0.000 0.477 374 F N 0.884 120.869 119.950 0.058 0.000 2.134 374 F HA -0.091 4.421 4.527 -0.024 0.000 0.299 374 F C 1.957 177.750 175.800 -0.013 0.000 1.097 374 F CA 1.948 59.987 58.000 0.064 0.000 1.264 374 F CB -0.491 38.579 39.000 0.116 0.000 1.001 374 F HN 0.235 nan 8.300 nan 0.000 0.479 375 L N 0.105 121.348 121.223 0.034 0.000 2.046 375 L HA -0.090 4.236 4.340 -0.023 0.000 0.208 375 L C 2.176 178.849 176.870 -0.329 0.000 1.077 375 L CA 2.264 56.862 54.840 -0.403 0.000 0.747 375 L CB -0.966 40.535 42.059 -0.931 0.000 0.896 375 L HN 0.454 nan 8.230 nan 0.000 0.432 376 T N -2.226 112.191 114.554 -0.228 0.000 2.923 376 T HA 0.034 4.370 4.350 -0.023 0.000 0.180 376 T C 1.749 176.475 174.700 0.043 0.000 0.706 376 T CA 0.298 62.218 62.100 -0.300 0.000 2.161 376 T CB -0.602 68.014 68.868 -0.421 0.000 2.518 376 T HN 0.392 nan 8.240 nan 0.000 0.399 377 R N 1.314 121.922 120.500 0.180 0.000 2.096 377 R HA 0.110 4.436 4.340 -0.023 0.000 0.235 377 R C 2.573 179.097 176.300 0.373 0.000 1.127 377 R CA 1.622 57.966 56.100 0.408 0.000 0.968 377 R CB -1.414 29.104 30.300 0.363 0.000 0.861 377 R HN 0.557 nan 8.270 nan 0.000 0.440 378 G N 0.459 109.396 108.800 0.227 0.000 2.421 378 G HA2 -0.220 3.726 3.960 -0.023 0.000 0.216 378 G HA3 -0.220 3.726 3.960 -0.023 0.000 0.216 378 G C 0.229 175.207 174.900 0.129 0.000 1.171 378 G CA 1.501 46.729 45.100 0.213 0.000 0.775 378 G HN 0.480 nan 8.290 nan 0.000 0.543 379 D N -1.214 119.137 120.400 -0.082 0.000 3.118 379 D HA 0.145 4.771 4.640 -0.023 0.000 0.222 379 D C 2.312 178.482 176.300 -0.216 0.000 1.470 379 D CA -0.380 53.453 54.000 -0.278 0.000 1.347 379 D CB -0.187 40.080 40.800 -0.888 0.000 1.221 379 D HN 0.104 nan 8.370 nan 0.000 0.326 380 L N -0.112 120.921 121.223 -0.317 0.000 2.275 380 L HA -0.004 4.322 4.340 -0.023 0.000 0.215 380 L C 0.551 177.513 176.870 0.155 0.000 1.119 380 L CA 0.440 55.200 54.840 -0.134 0.000 0.790 380 L CB -0.135 41.835 42.059 -0.148 0.000 0.919 380 L HN 0.415 nan 8.230 nan 0.000 0.443 381 W N 1.584 122.888 121.300 0.006 0.000 5.121 381 W HA -0.251 4.395 4.660 -0.025 0.000 0.372 381 W C -0.525 176.166 176.519 0.286 0.000 1.394 381 W CA 0.001 57.485 57.345 0.232 0.000 0.885 381 W CB -1.303 28.285 29.460 0.214 0.000 2.520 381 W HN 0.074 nan 8.180 nan 0.000 1.455 382 I N 1.461 122.006 120.570 -0.042 0.000 2.498 382 I HA 0.113 4.269 4.170 -0.023 0.000 0.301 382 I C 1.279 176.980 176.117 -0.693 0.000 0.984 382 I CA -0.396 60.779 61.300 -0.208 0.000 1.204 382 I CB 1.551 39.414 38.000 -0.229 0.000 1.362 382 I HN -0.072 nan 8.210 nan 0.000 0.471 383 S N 5.528 120.787 115.700 -0.734 0.000 2.558 383 S HA -0.021 4.435 4.470 -0.023 0.000 0.288 383 S C 1.213 175.113 174.600 -1.167 0.000 1.318 383 S CA -0.365 57.050 58.200 -1.307 0.000 1.056 383 S CB 0.383 63.085 63.200 -0.830 0.000 0.853 383 S HN 0.751 nan 8.310 nan 0.000 0.505 384 W N 3.921 124.485 121.300 -1.227 0.000 2.465 384 W HA -0.045 4.601 4.660 -0.024 0.000 0.268 384 W C 1.007 176.919 176.519 -1.012 0.000 1.242 384 W CA 0.865 57.626 57.345 -0.973 0.000 1.248 384 W CB -0.910 28.218 29.460 -0.552 0.000 1.118 384 W HN 0.796 nan 8.180 nan 0.000 0.587 385 E N 0.921 120.343 120.200 -1.297 0.000 2.150 385 E HA -0.178 4.158 4.350 -0.023 0.000 0.193 385 E C 2.051 178.201 176.600 -0.749 0.000 0.985 385 E CA 1.327 57.099 56.400 -1.046 0.000 0.814 385 E CB -0.106 29.001 29.700 -0.989 0.000 0.752 385 E HN 0.283 nan 8.360 nan 0.000 0.466 386 E N 0.234 120.001 120.200 -0.723 0.000 2.072 386 E HA -0.105 4.232 4.350 -0.023 0.000 0.190 386 E C 2.262 178.489 176.600 -0.621 0.000 0.982 386 E CA 1.007 57.081 56.400 -0.543 0.000 0.803 386 E CB -0.308 29.116 29.700 -0.460 0.000 0.755 386 E HN 0.331 nan 8.360 nan 0.000 0.453 387 G N 1.465 109.642 108.800 -1.038 0.000 2.421 387 G HA2 -0.336 3.610 3.960 -0.023 0.000 0.216 387 G HA3 -0.336 3.610 3.960 -0.023 0.000 0.216 387 G C 1.525 175.654 174.900 -1.286 0.000 1.171 387 G CA 0.879 45.174 45.100 -1.342 0.000 0.775 387 G HN 0.274 nan 8.290 nan 0.000 0.543 388 Q N 0.070 118.860 119.800 -1.683 0.000 2.112 388 Q HA -0.191 4.136 4.340 -0.023 0.000 0.206 388 Q C 2.553 178.373 176.000 -0.300 0.000 0.987 388 Q CA 1.754 56.990 55.803 -0.944 0.000 0.858 388 Q CB -0.193 28.149 28.738 -0.660 0.000 0.905 388 Q HN 0.527 nan 8.270 nan 0.000 0.420 389 R N -0.499 119.812 120.500 -0.315 0.000 2.073 389 R HA -0.134 4.193 4.340 -0.023 0.000 0.234 389 R C 2.199 178.463 176.300 -0.060 0.000 1.134 389 R CA 1.606 57.609 56.100 -0.161 0.000 0.952 389 R CB -0.221 29.966 30.300 -0.188 0.000 0.850 389 R HN 0.207 nan 8.270 nan 0.000 0.433 390 V N 0.733 120.652 119.914 0.008 0.000 2.295 390 V HA -0.247 3.860 4.120 -0.023 0.000 0.246 390 V C 2.159 178.414 176.094 0.269 0.000 1.049 390 V CA 1.752 64.141 62.300 0.147 0.000 1.024 390 V CB -0.639 31.376 31.823 0.320 0.000 0.648 390 V HN 0.243 nan 8.190 nan 0.000 0.447 391 F N 0.728 120.738 119.950 0.101 0.000 2.126 391 F HA -0.183 4.330 4.527 -0.024 0.000 0.299 391 F C 2.535 178.345 175.800 0.016 0.000 1.096 391 F CA 1.714 59.780 58.000 0.111 0.000 1.255 391 F CB -0.838 38.350 39.000 0.313 0.000 0.997 391 F HN 0.317 nan 8.300 nan 0.000 0.479 392 E N 0.101 120.408 120.200 0.179 0.000 2.085 392 E HA -0.299 4.038 4.350 -0.023 0.000 0.194 392 E C 2.245 178.807 176.600 -0.063 0.000 0.994 392 E CA 1.456 57.881 56.400 0.041 0.000 0.801 392 E CB -0.306 29.393 29.700 -0.001 0.000 0.743 392 E HN 0.577 nan 8.360 nan 0.000 0.453 393 Q N 0.195 119.944 119.800 -0.085 0.000 2.079 393 Q HA -0.152 4.174 4.340 -0.023 0.000 0.200 393 Q C 2.181 178.124 176.000 -0.095 0.000 0.974 393 Q CA 1.510 57.233 55.803 -0.133 0.000 0.840 393 Q CB 0.029 28.692 28.738 -0.126 0.000 0.898 393 Q HN 0.416 nan 8.270 nan 0.000 0.430 394 L N 0.299 121.480 121.223 -0.071 0.000 2.354 394 L HA 0.175 4.502 4.340 -0.023 0.000 0.212 394 L C 0.608 177.408 176.870 -0.117 0.000 1.091 394 L CA -0.217 54.566 54.840 -0.094 0.000 0.828 394 L CB 0.195 42.180 42.059 -0.124 0.000 0.973 394 L HN 0.145 nan 8.230 nan 0.000 0.461 395 L N 0.690 121.834 121.223 -0.132 0.000 2.331 395 L HA 0.082 4.408 4.340 -0.023 0.000 0.278 395 L C 1.238 178.039 176.870 -0.115 0.000 1.106 395 L CA -0.258 54.495 54.840 -0.145 0.000 0.824 395 L CB 1.318 43.284 42.059 -0.155 0.000 1.142 395 L HN 0.130 nan 8.230 nan 0.000 0.443 396 L N 1.856 123.011 121.223 -0.114 0.000 2.083 396 L HA -0.183 4.143 4.340 -0.023 0.000 0.209 396 L C 1.446 178.163 176.870 -0.255 0.000 1.083 396 L CA 1.188 55.908 54.840 -0.199 0.000 0.752 396 L CB -0.338 41.554 42.059 -0.279 0.000 0.899 396 L HN 0.815 nan 8.230 nan 0.000 0.433 397 D N -1.758 118.535 120.400 -0.179 0.000 2.325 397 D HA -0.093 4.533 4.640 -0.023 0.000 0.225 397 D C 0.961 177.201 176.300 -0.100 0.000 1.096 397 D CA -0.281 53.630 54.000 -0.148 0.000 0.844 397 D CB -0.297 40.473 40.800 -0.051 0.000 0.925 397 D HN 0.047 nan 8.370 nan 0.000 0.513 398 Q N 1.434 121.173 119.800 -0.101 0.000 2.687 398 Q HA -0.096 4.231 4.340 -0.023 0.000 0.341 398 Q C -0.889 175.100 176.000 -0.018 0.000 1.074 398 Q CA 1.022 56.804 55.803 -0.035 0.000 1.115 398 Q CB 0.095 28.806 28.738 -0.044 0.000 0.996 398 Q HN 0.403 nan 8.270 nan 0.000 0.397 399 D N 4.326 124.761 120.400 0.057 0.000 2.788 399 D HA 0.036 4.663 4.640 -0.023 0.000 0.247 399 D C 0.245 176.636 176.300 0.152 0.000 1.236 399 D CA -0.527 53.539 54.000 0.111 0.000 0.898 399 D CB 0.393 41.269 40.800 0.127 0.000 1.401 399 D HN 0.708 nan 8.370 nan 0.000 0.549 400 W N 4.816 126.135 121.300 0.031 0.000 2.317 400 W HA -0.226 4.421 4.660 -0.022 0.000 0.318 400 W C 1.700 178.268 176.519 0.083 0.000 1.227 400 W CA 2.761 60.146 57.345 0.066 0.000 1.269 400 W CB -0.219 29.286 29.460 0.075 0.000 1.155 400 W HN 0.556 nan 8.180 nan 0.000 0.484 401 A N -0.488 122.291 122.820 -0.068 0.000 1.872 401 A HA -0.104 4.203 4.320 -0.023 0.000 0.214 401 A C 1.883 179.350 177.584 -0.195 0.000 1.187 401 A CA 1.729 53.577 52.037 -0.315 0.000 0.614 401 A CB -1.027 17.613 19.000 -0.599 0.000 0.826 401 A HN 0.301 nan 8.150 nan 0.000 0.442 402 L N 0.334 121.446 121.223 -0.186 0.000 2.056 402 L HA -0.100 4.226 4.340 -0.023 0.000 0.207 402 L C 2.238 178.975 176.870 -0.221 0.000 1.078 402 L CA 1.924 56.645 54.840 -0.200 0.000 0.749 402 L CB -1.190 40.855 42.059 -0.024 0.000 0.901 402 L HN 0.468 nan 8.230 nan 0.000 0.433 403 N N -0.156 118.504 118.700 -0.068 0.000 2.106 403 N HA -0.135 4.591 4.740 -0.023 0.000 0.188 403 N C 1.821 177.369 175.510 0.064 0.000 1.029 403 N CA 1.540 54.631 53.050 0.068 0.000 0.848 403 N CB -0.121 38.471 38.487 0.175 0.000 1.007 403 N HN 0.288 nan 8.380 nan 0.000 0.423 404 A N -0.199 122.562 122.820 -0.097 0.000 1.883 404 A HA -0.010 4.297 4.320 -0.023 0.000 0.217 404 A C 2.329 179.642 177.584 -0.452 0.000 1.186 404 A CA 2.003 53.891 52.037 -0.248 0.000 0.624 404 A CB -1.460 17.256 19.000 -0.473 0.000 0.822 404 A HN 0.438 nan 8.150 nan 0.000 0.444 405 G N -0.207 108.370 108.800 -0.373 0.000 2.433 405 G HA2 -0.291 3.656 3.960 -0.023 0.000 0.216 405 G HA3 -0.291 3.656 3.960 -0.023 0.000 0.216 405 G C 1.399 176.084 174.900 -0.359 0.000 1.186 405 G CA 1.259 46.132 45.100 -0.379 0.000 0.779 405 G HN 0.654 nan 8.290 nan 0.000 0.543 406 N N -0.537 117.843 118.700 -0.534 0.000 2.270 406 N HA -0.056 4.671 4.740 -0.023 0.000 0.181 406 N C 1.786 177.091 175.510 -0.341 0.000 1.016 406 N CA 0.785 53.619 53.050 -0.359 0.000 0.870 406 N CB -0.188 38.050 38.487 -0.416 0.000 0.979 406 N HN 0.584 nan 8.380 nan 0.000 0.431 407 W N 0.943 122.023 121.300 -0.365 0.000 2.358 407 W HA 0.011 4.657 4.660 -0.023 0.000 0.303 407 W C 2.208 178.352 176.519 -0.624 0.000 1.208 407 W CA 0.665 57.759 57.345 -0.419 0.000 1.274 407 W CB -0.130 29.156 29.460 -0.289 0.000 1.138 407 W HN 0.048 nan 8.180 nan 0.000 0.515 408 M N -1.164 118.071 119.600 -0.608 0.000 2.132 408 M HA -0.238 4.228 4.480 -0.023 0.000 0.263 408 M C 2.125 178.282 176.300 -0.239 0.000 1.065 408 M CA 1.489 56.347 55.300 -0.736 0.000 1.122 408 M CB -0.850 31.304 32.600 -0.743 0.000 1.365 408 M HN 0.234 nan 8.290 nan 0.000 0.411 409 W N 1.297 122.493 121.300 -0.173 0.000 2.332 409 W HA -0.248 4.398 4.660 -0.024 0.000 0.321 409 W C 1.817 178.199 176.519 -0.228 0.000 1.219 409 W CA 1.325 58.635 57.345 -0.057 0.000 1.277 409 W CB -0.567 28.884 29.460 -0.015 0.000 1.161 409 W HN 0.127 nan 8.180 nan 0.000 0.476 410 L N 1.602 122.822 121.223 -0.005 0.000 2.131 410 L HA -0.170 4.156 4.340 -0.023 0.000 0.210 410 L C 2.526 179.324 176.870 -0.119 0.000 1.092 410 L CA 2.384 57.093 54.840 -0.218 0.000 0.759 410 L CB -1.685 40.075 42.059 -0.497 0.000 0.903 410 L HN 0.146 nan 8.230 nan 0.000 0.435 411 S N -0.889 114.766 115.700 -0.074 0.000 2.650 411 S HA 0.221 4.677 4.470 -0.023 0.000 0.219 411 S C 1.192 175.886 174.600 0.157 0.000 0.960 411 S CA 0.346 58.576 58.200 0.051 0.000 0.925 411 S CB -0.223 62.986 63.200 0.015 0.000 0.775 411 S HN 0.433 nan 8.310 nan 0.000 0.525 412 A N 0.391 123.269 122.820 0.098 0.000 2.745 412 A HA -0.182 4.124 4.320 -0.023 0.000 0.296 412 A C 1.423 179.076 177.584 0.115 0.000 1.500 412 A CA 0.906 53.040 52.037 0.161 0.000 0.766 412 A CB -2.509 16.687 19.000 0.327 0.000 1.030 412 A HN 0.617 nan 8.150 nan 0.000 0.489 413 S N -1.333 114.342 115.700 -0.041 0.000 2.483 413 S HA 0.555 5.012 4.470 -0.023 0.000 0.221 413 S C 0.826 175.289 174.600 -0.228 0.000 1.030 413 S CA 0.930 59.088 58.200 -0.070 0.000 0.925 413 S CB 0.429 63.565 63.200 -0.105 0.000 0.795 413 S HN 2.150 nan 8.310 nan 0.000 0.511 414 A N -0.314 122.268 122.820 -0.397 0.000 2.589 414 A HA 0.655 4.961 4.320 -0.023 0.000 0.296 414 A C -0.280 176.909 177.584 -0.659 0.000 1.062 414 A CA -0.700 50.937 52.037 -0.667 0.000 0.686 414 A CB 0.238 18.638 19.000 -1.000 0.000 1.282 414 A HN 0.145 nan 8.150 nan 0.000 0.404 415 F N -1.430 118.411 119.950 -0.181 0.000 2.568 415 F HA -0.246 4.268 4.527 -0.023 0.000 0.650 415 F C 0.157 175.553 175.800 -0.674 0.000 0.492 415 F CA 1.952 59.861 58.000 -0.152 0.000 0.801 415 F CB -1.730 37.397 39.000 0.212 0.000 1.661 415 F HN 0.799 nan 8.300 nan 0.000 0.261 416 F N 0.554 119.845 119.950 -1.098 0.000 2.469 416 F HA 0.646 5.160 4.527 -0.023 0.000 0.332 416 F C 0.651 175.891 175.800 -0.933 0.000 1.103 416 F CA -0.712 56.576 58.000 -1.187 0.000 0.979 416 F CB 1.126 39.086 39.000 -1.734 0.000 1.137 416 F HN 0.124 nan 8.300 nan 0.000 0.463 417 H N 1.872 120.406 119.070 -0.894 0.000 3.540 417 H HA 0.174 4.716 4.556 -0.022 0.000 0.259 417 H C -0.362 174.570 175.328 -0.661 0.000 1.197 417 H CA -0.138 55.691 56.048 -0.365 0.000 1.136 417 H CB 0.415 30.168 29.762 -0.015 0.000 1.605 417 H HN 0.555 nan 8.280 nan 0.000 0.657 418 Q N 1.626 120.606 119.800 -1.367 0.000 3.184 418 Q HA 0.035 4.362 4.340 -0.023 0.000 0.288 418 Q C 0.139 175.257 176.000 -1.470 0.000 1.412 418 Q CA -0.291 54.527 55.803 -1.641 0.000 0.991 418 Q CB -0.227 27.812 28.738 -1.165 0.000 1.688 418 Q HN 0.703 nan 8.270 nan 0.000 0.554 419 Y N -1.814 117.934 120.300 -0.920 0.000 2.497 419 Y HA -0.167 4.369 4.550 -0.024 0.000 0.292 419 Y C 1.235 176.984 175.900 -0.252 0.000 1.137 419 Y CA 0.227 58.106 58.100 -0.368 0.000 1.285 419 Y CB -0.716 37.585 38.460 -0.266 0.000 0.991 419 Y HN 0.340 nan 8.280 nan 0.000 0.556 420 F N 0.607 120.369 119.950 -0.314 0.000 2.269 420 F HA 0.072 4.584 4.527 -0.024 0.000 0.301 420 F C 1.026 176.819 175.800 -0.011 0.000 1.082 420 F CA -0.273 57.645 58.000 -0.137 0.000 1.360 420 F CB -0.768 38.086 39.000 -0.242 0.000 1.041 420 F HN -0.187 nan 8.300 nan 0.000 0.512 421 R N 1.695 122.143 120.500 -0.087 0.000 2.296 421 R HA 0.460 4.786 4.340 -0.023 0.000 0.323 421 R C -1.198 175.066 176.300 -0.060 0.000 1.067 421 R CA -0.262 55.828 56.100 -0.018 0.000 0.946 421 R CB 1.166 31.451 30.300 -0.026 0.000 0.991 421 R HN 0.034 nan 8.270 nan 0.000 0.448 422 V N 4.871 124.750 119.914 -0.059 0.000 2.577 422 V HA 0.182 4.289 4.120 -0.023 0.000 0.303 422 V C -0.715 175.307 176.094 -0.120 0.000 1.042 422 V CA -1.094 61.184 62.300 -0.036 0.000 0.872 422 V CB 1.335 33.254 31.823 0.160 0.000 0.998 422 V HN 0.580 nan 8.190 nan 0.000 0.423 423 Y N 2.016 122.281 120.300 -0.058 0.000 2.620 423 Y HA 0.158 4.692 4.550 -0.026 0.000 0.330 423 Y C 1.211 177.048 175.900 -0.104 0.000 1.186 423 Y CA 0.652 58.648 58.100 -0.173 0.000 1.467 423 Y CB 0.723 38.996 38.460 -0.312 0.000 1.262 423 Y HN 0.646 nan 8.280 nan 0.000 0.550 424 S N 5.458 121.188 115.700 0.049 0.000 2.430 424 S HA 0.243 4.699 4.470 -0.023 0.000 0.289 424 S C -1.650 172.930 174.600 -0.033 0.000 1.143 424 S CA -1.654 56.476 58.200 -0.116 0.000 1.067 424 S CB 0.743 63.953 63.200 0.017 0.000 0.964 424 S HN 0.414 nan 8.310 nan 0.000 0.485 425 P HA -0.086 nan 4.420 nan 0.000 0.220 425 P C 1.085 178.568 177.300 0.306 0.000 1.144 425 P CA 0.696 63.882 63.100 0.143 0.000 0.800 425 P CB 0.116 31.753 31.700 -0.104 0.000 0.772 426 V N -0.755 119.286 119.914 0.212 0.000 2.672 426 V HA 0.094 4.201 4.120 -0.023 0.000 0.242 426 V C 2.356 178.403 176.094 -0.077 0.000 1.059 426 V CA 1.694 64.122 62.300 0.214 0.000 1.081 426 V CB -1.246 30.769 31.823 0.320 0.000 0.752 426 V HN 0.051 nan 8.190 nan 0.000 0.472 427 A N -0.858 121.922 122.820 -0.068 0.000 2.030 427 A HA 0.004 4.311 4.320 -0.023 0.000 0.215 427 A C 1.968 179.430 177.584 -0.203 0.000 1.164 427 A CA 0.684 52.625 52.037 -0.161 0.000 0.697 427 A CB -0.488 18.487 19.000 -0.042 0.000 0.827 427 A HN 0.435 nan 8.150 nan 0.000 0.457 428 F N 1.577 121.359 119.950 -0.279 0.000 2.126 428 F HA -0.061 4.450 4.527 -0.026 0.000 0.299 428 F C 2.172 177.711 175.800 -0.436 0.000 1.096 428 F CA 1.447 59.304 58.000 -0.238 0.000 1.255 428 F CB -0.648 38.324 39.000 -0.046 0.000 0.997 428 F HN 0.194 nan 8.300 nan 0.000 0.479 429 G N -0.266 107.945 108.800 -0.983 0.000 2.511 429 G HA2 -0.173 3.773 3.960 -0.023 0.000 0.217 429 G HA3 -0.173 3.773 3.960 -0.023 0.000 0.217 429 G C 1.721 176.261 174.900 -0.599 0.000 1.133 429 G CA 0.339 44.819 45.100 -1.033 0.000 0.792 429 G HN 0.324 nan 8.290 nan 0.000 0.539 430 K N 0.709 120.643 120.400 -0.776 0.000 2.103 430 K HA -0.092 4.214 4.320 -0.023 0.000 0.207 430 K C 2.433 178.835 176.600 -0.329 0.000 1.048 430 K CA 1.183 57.094 56.287 -0.627 0.000 0.930 430 K CB -0.111 32.000 32.500 -0.650 0.000 0.716 430 K HN 0.263 nan 8.250 nan 0.000 0.444 431 K N 0.110 120.317 120.400 -0.321 0.000 2.103 431 K HA -0.127 4.180 4.320 -0.023 0.000 0.207 431 K C 2.062 178.553 176.600 -0.182 0.000 1.048 431 K CA 1.909 58.063 56.287 -0.221 0.000 0.930 431 K CB -0.193 32.177 32.500 -0.217 0.000 0.716 431 K HN 0.320 nan 8.250 nan 0.000 0.444 432 T N -2.378 112.047 114.554 -0.215 0.000 3.022 432 T HA 0.034 4.370 4.350 -0.023 0.000 0.250 432 T C 0.252 174.902 174.700 -0.083 0.000 1.060 432 T CA 0.053 62.063 62.100 -0.149 0.000 1.013 432 T CB 0.308 69.062 68.868 -0.190 0.000 0.982 432 T HN -0.027 nan 8.240 nan 0.000 0.508 433 D N 1.566 121.922 120.400 -0.072 0.000 2.968 433 D HA 0.272 4.899 4.640 -0.023 0.000 0.301 433 D C -1.920 174.393 176.300 0.022 0.000 1.226 433 D CA -1.909 52.096 54.000 0.009 0.000 0.746 433 D CB 1.150 42.002 40.800 0.087 0.000 1.278 433 D HN -0.041 nan 8.370 nan 0.000 0.544 434 P HA -0.185 nan 4.420 nan 0.000 0.218 434 P C 1.039 178.328 177.300 -0.018 0.000 1.146 434 P CA 1.055 64.128 63.100 -0.045 0.000 0.813 434 P CB 0.464 32.126 31.700 -0.065 0.000 0.778 435 Q N -1.359 118.356 119.800 -0.142 0.000 2.398 435 Q HA 0.136 4.462 4.340 -0.023 0.000 0.204 435 Q C 1.590 177.425 176.000 -0.275 0.000 0.932 435 Q CA 1.023 56.664 55.803 -0.270 0.000 0.916 435 Q CB -0.495 27.899 28.738 -0.573 0.000 1.024 435 Q HN 0.363 nan 8.270 nan 0.000 0.504 436 G N 1.439 110.134 108.800 -0.174 0.000 2.160 436 G HA2 -0.271 3.676 3.960 -0.023 0.000 0.244 436 G HA3 -0.271 3.676 3.960 -0.023 0.000 0.244 436 G C 0.499 175.339 174.900 -0.101 0.000 1.022 436 G CA 0.448 45.452 45.100 -0.160 0.000 0.741 436 G HN 0.357 nan 8.290 nan 0.000 0.508 437 H N -1.467 117.633 119.070 0.049 0.000 2.390 437 H HA -0.153 4.396 4.556 -0.012 0.000 0.298 437 H C 2.042 177.413 175.328 0.073 0.000 1.106 437 H CA 1.782 57.853 56.048 0.039 0.000 1.297 437 H CB -0.283 29.510 29.762 0.052 0.000 1.375 437 H HN 0.675 nan 8.280 nan 0.000 0.509 438 Y N 1.053 121.438 120.300 0.142 0.000 2.181 438 Y HA -0.160 4.374 4.550 -0.028 0.000 0.288 438 Y C 2.540 178.516 175.900 0.127 0.000 1.146 438 Y CA 1.139 59.338 58.100 0.166 0.000 1.164 438 Y CB -0.481 38.098 38.460 0.198 0.000 0.982 438 Y HN 0.014 nan 8.280 nan 0.000 0.515 439 I N -0.117 120.524 120.570 0.117 0.000 2.202 439 I HA -0.320 3.837 4.170 -0.023 0.000 0.242 439 I C 2.447 178.488 176.117 -0.126 0.000 1.091 439 I CA 1.469 62.736 61.300 -0.054 0.000 1.368 439 I CB -0.408 37.472 38.000 -0.201 0.000 1.058 439 I HN 0.115 nan 8.210 nan 0.000 0.410 440 R N 0.624 121.059 120.500 -0.108 0.000 2.117 440 R HA -0.238 4.088 4.340 -0.023 0.000 0.243 440 R C 2.289 178.499 176.300 -0.149 0.000 1.143 440 R CA 1.541 57.576 56.100 -0.109 0.000 0.968 440 R CB -0.344 29.928 30.300 -0.047 0.000 0.863 440 R HN 0.350 nan 8.270 nan 0.000 0.444 441 K N -0.062 120.213 120.400 -0.207 0.000 2.007 441 K HA -0.132 4.174 4.320 -0.023 0.000 0.206 441 K C 1.349 177.632 176.600 -0.528 0.000 1.047 441 K CA 1.367 57.411 56.287 -0.404 0.000 0.937 441 K CB 0.021 32.184 32.500 -0.560 0.000 0.718 441 K HN 0.116 nan 8.250 nan 0.000 0.438 442 Y N -0.332 119.810 120.300 -0.263 0.000 2.510 442 Y HA 0.127 4.661 4.550 -0.026 0.000 0.273 442 Y C 0.241 176.040 175.900 -0.168 0.000 1.119 442 Y CA -0.063 57.888 58.100 -0.248 0.000 1.286 442 Y CB 1.032 39.259 38.460 -0.388 0.000 1.061 442 Y HN -0.206 nan 8.280 nan 0.000 0.542 443 V N 1.900 121.775 119.914 -0.064 0.000 2.271 443 V HA 0.192 4.298 4.120 -0.023 0.000 0.259 443 V C -2.015 174.008 176.094 -0.118 0.000 1.030 443 V CA -1.304 60.951 62.300 -0.075 0.000 0.957 443 V CB 0.837 32.585 31.823 -0.124 0.000 1.186 443 V HN 0.009 nan 8.190 nan 0.000 0.471 444 P HA -0.163 nan 4.420 nan 0.000 0.219 444 P C 1.637 178.902 177.300 -0.060 0.000 1.146 444 P CA 1.045 64.095 63.100 -0.084 0.000 0.808 444 P CB 0.286 31.944 31.700 -0.070 0.000 0.779 445 E N 0.403 120.575 120.200 -0.047 0.000 2.265 445 E HA -0.140 4.197 4.350 -0.023 0.000 0.196 445 E C 1.404 177.982 176.600 -0.036 0.000 0.996 445 E CA 1.033 57.424 56.400 -0.015 0.000 0.832 445 E CB -1.069 28.650 29.700 0.032 0.000 0.756 445 E HN 0.336 nan 8.360 nan 0.000 0.491 446 L N 2.097 123.222 121.223 -0.163 0.000 2.628 446 L HA 0.105 4.432 4.340 -0.023 0.000 0.229 446 L C 2.054 178.895 176.870 -0.049 0.000 1.137 446 L CA 0.399 55.105 54.840 -0.223 0.000 0.909 446 L CB -0.031 41.659 42.059 -0.616 0.000 1.137 446 L HN 0.072 nan 8.230 nan 0.000 0.470 447 S N -0.973 114.707 115.700 -0.034 0.000 2.507 447 S HA -0.065 4.392 4.470 -0.023 0.000 0.235 447 S C 1.644 176.236 174.600 -0.014 0.000 0.988 447 S CA 0.531 58.707 58.200 -0.039 0.000 0.944 447 S CB -0.092 63.081 63.200 -0.044 0.000 0.762 447 S HN 0.274 nan 8.310 nan 0.000 0.526 448 K N 0.279 120.695 120.400 0.027 0.000 2.374 448 K HA 0.258 4.565 4.320 -0.023 0.000 0.196 448 K C -0.600 175.852 176.600 -0.247 0.000 1.023 448 K CA -0.165 56.097 56.287 -0.040 0.000 1.103 448 K CB -0.282 32.231 32.500 0.022 0.000 0.848 448 K HN 0.453 nan 8.250 nan 0.000 0.528 449 Y N 2.485 122.538 120.300 -0.412 0.000 2.511 449 Y HA 0.055 4.570 4.550 -0.058 0.000 0.332 449 Y C -1.787 173.823 175.900 -0.485 0.000 1.177 449 Y CA -2.191 55.509 58.100 -0.666 0.000 1.422 449 Y CB -0.260 37.944 38.460 -0.427 0.000 1.271 449 Y HN -0.001 nan 8.280 nan 0.000 0.550 450 P HA 0.020 nan 4.420 nan 0.000 0.269 450 P C 0.025 177.261 177.300 -0.107 0.000 1.215 450 P CA 0.239 63.214 63.100 -0.208 0.000 0.780 450 P CB 0.823 32.419 31.700 -0.173 0.000 0.898 451 A N 2.997 125.774 122.820 -0.073 0.000 2.032 451 A HA -0.134 4.173 4.320 -0.023 0.000 0.221 451 A C 2.280 179.865 177.584 0.002 0.000 1.165 451 A CA 2.115 54.133 52.037 -0.031 0.000 0.645 451 A CB -1.776 17.204 19.000 -0.033 0.000 0.807 451 A HN 0.668 nan 8.150 nan 0.000 0.453 452 G N -0.998 107.790 108.800 -0.020 0.000 2.479 452 G HA2 -0.178 3.769 3.960 -0.023 0.000 0.220 452 G HA3 -0.178 3.769 3.960 -0.023 0.000 0.220 452 G C 1.129 176.023 174.900 -0.010 0.000 1.115 452 G CA 1.609 46.703 45.100 -0.011 0.000 0.757 452 G HN 1.250 nan 8.290 nan 0.000 0.560 453 C N -2.291 117.002 119.300 -0.011 0.000 3.798 453 C HA 0.505 4.951 4.460 -0.023 0.000 0.285 453 C C 1.898 176.847 174.990 -0.069 0.000 1.968 453 C CA -0.783 58.212 59.018 -0.037 0.000 1.685 453 C CB -1.032 26.708 27.740 0.000 0.000 3.276 453 C HN 0.233 nan 8.230 nan 0.000 0.525 454 I N 0.448 120.979 120.570 -0.064 0.000 2.493 454 I HA -0.115 4.042 4.170 -0.023 0.000 0.254 454 I C 1.978 177.914 176.117 -0.301 0.000 1.160 454 I CA 1.598 62.768 61.300 -0.216 0.000 1.445 454 I CB 0.039 37.907 38.000 -0.221 0.000 1.086 454 I HN 0.444 nan 8.210 nan 0.000 0.433 455 Y N 1.450 121.639 120.300 -0.184 0.000 2.561 455 Y HA -0.026 4.486 4.550 -0.064 0.000 0.291 455 Y C 0.723 176.458 175.900 -0.275 0.000 1.141 455 Y CA 0.355 58.373 58.100 -0.136 0.000 1.303 455 Y CB 0.211 38.620 38.460 -0.085 0.000 1.015 455 Y HN 0.321 nan 8.280 nan 0.000 0.547 456 E N -1.414 118.535 120.200 -0.419 0.000 3.544 456 E HA 0.209 4.545 4.350 -0.023 0.000 0.264 456 E C -2.750 173.153 176.600 -1.161 0.000 1.225 456 E CA -1.650 53.992 56.400 -1.263 0.000 1.045 456 E CB 0.914 30.057 29.700 -0.929 0.000 1.338 456 E HN 0.089 nan 8.360 nan 0.000 0.395 457 P HA -0.159 nan 4.420 nan 0.000 0.219 457 P C 1.017 178.319 177.300 0.004 0.000 1.146 457 P CA 1.023 63.981 63.100 -0.236 0.000 0.808 457 P CB -0.359 31.202 31.700 -0.232 0.000 0.779 458 W N 0.017 121.395 121.300 0.131 0.000 2.480 458 W HA -0.006 4.705 4.660 0.085 0.000 0.257 458 W C 1.234 177.836 176.519 0.137 0.000 1.235 458 W CA 0.557 57.986 57.345 0.142 0.000 1.218 458 W CB -1.423 28.099 29.460 0.104 0.000 1.131 458 W HN -0.202 nan 8.180 nan 0.000 0.606 459 K N 1.056 121.394 120.400 -0.103 0.000 2.432 459 K HA 0.146 4.452 4.320 -0.023 0.000 0.196 459 K C 0.758 177.409 176.600 0.086 0.000 1.038 459 K CA 0.787 57.081 56.287 0.012 0.000 0.986 459 K CB -0.704 31.741 32.500 -0.093 0.000 0.782 459 K HN 0.215 nan 8.250 nan 0.000 0.485 460 A N 2.014 124.915 122.820 0.135 0.000 2.366 460 A HA 0.292 4.598 4.320 -0.023 0.000 0.272 460 A C 0.514 178.177 177.584 0.130 0.000 1.135 460 A CA -0.378 51.756 52.037 0.162 0.000 0.804 460 A CB 0.268 19.434 19.000 0.277 0.000 1.064 460 A HN 0.264 nan 8.150 nan 0.000 0.499 461 S N 2.155 117.896 115.700 0.069 0.000 2.589 461 S HA 0.172 4.628 4.470 -0.023 0.000 0.265 461 S C 1.090 175.702 174.600 0.021 0.000 1.342 461 S CA -0.061 58.167 58.200 0.046 0.000 1.005 461 S CB 0.351 63.559 63.200 0.014 0.000 0.909 461 S HN 1.064 nan 8.310 nan 0.000 0.555 462 L N 2.271 123.512 121.223 0.029 0.000 2.042 462 L HA -0.072 4.255 4.340 -0.023 0.000 0.210 462 L C 2.514 179.358 176.870 -0.043 0.000 1.076 462 L CA 2.298 57.150 54.840 0.020 0.000 0.749 462 L CB -1.240 40.840 42.059 0.035 0.000 0.893 462 L HN 0.838 nan 8.230 nan 0.000 0.432 463 V N -3.282 116.594 119.914 -0.064 0.000 2.407 463 V HA -0.217 3.889 4.120 -0.023 0.000 0.248 463 V C 2.197 178.154 176.094 -0.228 0.000 1.055 463 V CA 1.966 64.199 62.300 -0.111 0.000 1.049 463 V CB -1.051 30.721 31.823 -0.085 0.000 0.662 463 V HN 0.360 nan 8.190 nan 0.000 0.455 464 D N 0.285 120.520 120.400 -0.275 0.000 2.097 464 D HA -0.175 4.452 4.640 -0.023 0.000 0.195 464 D C 2.407 178.193 176.300 -0.858 0.000 0.989 464 D CA 1.996 55.633 54.000 -0.605 0.000 0.827 464 D CB -0.372 40.214 40.800 -0.357 0.000 0.966 464 D HN 0.636 nan 8.370 nan 0.000 0.456 465 Q N 0.172 119.762 119.800 -0.349 0.000 2.112 465 Q HA -0.143 4.183 4.340 -0.023 0.000 0.206 465 Q C 2.324 178.227 176.000 -0.161 0.000 0.987 465 Q CA 1.226 56.941 55.803 -0.146 0.000 0.858 465 Q CB -0.027 28.756 28.738 0.075 0.000 0.905 465 Q HN 0.232 nan 8.270 nan 0.000 0.420 466 R N 0.014 120.416 120.500 -0.164 0.000 2.075 466 R HA -0.084 4.243 4.340 -0.023 0.000 0.232 466 R C 2.293 178.498 176.300 -0.158 0.000 1.126 466 R CA 1.158 57.192 56.100 -0.110 0.000 0.963 466 R CB -0.369 29.881 30.300 -0.084 0.000 0.858 466 R HN 0.216 nan 8.270 nan 0.000 0.435 467 A N 0.305 122.946 122.820 -0.298 0.000 2.019 467 A HA -0.156 4.150 4.320 -0.023 0.000 0.219 467 A C 1.217 178.690 177.584 -0.185 0.000 1.164 467 A CA 1.186 53.053 52.037 -0.283 0.000 0.644 467 A CB -0.421 18.346 19.000 -0.389 0.000 0.805 467 A HN 0.338 nan 8.150 nan 0.000 0.449 468 Y N -0.806 119.390 120.300 -0.172 0.000 2.490 468 Y HA 0.367 4.902 4.550 -0.025 0.000 0.281 468 Y C 1.822 177.682 175.900 -0.066 0.000 1.174 468 Y CA -0.597 57.382 58.100 -0.202 0.000 1.295 468 Y CB -0.919 37.212 38.460 -0.549 0.000 1.062 468 Y HN 0.392 nan 8.280 nan 0.000 0.522 469 G N 0.240 109.077 108.800 0.062 0.000 2.221 469 G HA2 -0.296 3.651 3.960 -0.023 0.000 0.265 469 G HA3 -0.296 3.651 3.960 -0.023 0.000 0.265 469 G C -0.174 174.795 174.900 0.114 0.000 1.041 469 G CA 0.241 45.382 45.100 0.067 0.000 0.807 469 G HN 0.497 nan 8.290 nan 0.000 0.502 470 C N 0.536 119.938 119.300 0.169 0.000 3.027 470 C HA 0.575 5.022 4.460 -0.023 0.000 0.350 470 C C 0.232 175.365 174.990 0.238 0.000 1.042 470 C CA -0.295 58.855 59.018 0.219 0.000 1.350 470 C CB 0.433 28.359 27.740 0.310 0.000 1.809 470 C HN 1.226 nan 8.230 nan 0.000 0.513 471 V N 8.113 128.118 119.914 0.151 0.000 2.461 471 V HA 0.489 4.595 4.120 -0.023 0.000 0.275 471 V C 0.120 176.287 176.094 0.122 0.000 1.047 471 V CA -0.099 62.282 62.300 0.134 0.000 0.955 471 V CB 1.058 32.931 31.823 0.084 0.000 0.988 471 V HN 0.795 nan 8.190 nan 0.000 0.471 472 L N 7.348 128.659 121.223 0.146 0.000 2.490 472 L HA 0.435 4.761 4.340 -0.023 0.000 0.274 472 L C 1.595 178.320 176.870 -0.241 0.000 1.201 472 L CA 0.979 55.839 54.840 0.033 0.000 0.869 472 L CB 0.335 42.496 42.059 0.170 0.000 1.123 472 L HN 1.054 nan 8.230 nan 0.000 0.484 473 G N 1.801 110.259 108.800 -0.570 0.000 2.217 473 G HA2 -0.281 3.665 3.960 -0.023 0.000 0.246 473 G HA3 -0.281 3.665 3.960 -0.023 0.000 0.246 473 G C 0.695 175.518 174.900 -0.129 0.000 0.990 473 G CA 0.516 45.306 45.100 -0.517 0.000 0.627 473 G HN 0.639 nan 8.290 nan 0.000 0.522 474 T N -0.468 114.049 114.554 -0.062 0.000 3.272 474 T HA 0.186 4.522 4.350 -0.023 0.000 0.247 474 T C 1.462 176.171 174.700 0.015 0.000 0.990 474 T CA 1.077 63.176 62.100 -0.002 0.000 1.213 474 T CB 0.062 68.947 68.868 0.028 0.000 1.124 474 T HN 0.162 nan 8.240 nan 0.000 0.401 475 D N -0.408 120.022 120.400 0.051 0.000 2.366 475 D HA 0.176 4.803 4.640 -0.023 0.000 0.205 475 D C -0.327 176.058 176.300 0.143 0.000 1.022 475 D CA 0.453 54.503 54.000 0.083 0.000 0.868 475 D CB 0.746 41.606 40.800 0.099 0.000 0.953 475 D HN 0.307 nan 8.370 nan 0.000 0.514 476 Y N 0.384 120.664 120.300 -0.033 0.000 2.479 476 Y HA 0.333 4.872 4.550 -0.019 0.000 0.338 476 Y C -2.724 173.122 175.900 -0.089 0.000 1.055 476 Y CA -2.392 55.680 58.100 -0.047 0.000 1.023 476 Y CB 2.139 40.568 38.460 -0.051 0.000 1.287 476 Y HN -0.267 nan 8.280 nan 0.000 0.447 477 P HA 0.140 nan 4.420 nan 0.000 0.271 477 P C -0.894 176.211 177.300 -0.326 0.000 1.218 477 P CA 0.208 63.039 63.100 -0.449 0.000 0.780 477 P CB 0.516 31.979 31.700 -0.395 0.000 0.901 478 H N 1.584 120.621 119.070 -0.055 0.000 2.732 478 H HA 0.075 4.615 4.556 -0.027 0.000 0.351 478 H C 0.868 176.159 175.328 -0.061 0.000 1.090 478 H CA 0.099 56.144 56.048 -0.005 0.000 1.431 478 H CB 0.441 30.210 29.762 0.012 0.000 1.447 478 H HN 0.440 nan 8.280 nan 0.000 0.582 479 R N 2.905 123.408 120.500 0.005 0.000 2.484 479 R HA 0.038 4.365 4.340 -0.023 0.000 0.293 479 R C 1.252 177.543 176.300 -0.015 0.000 1.023 479 R CA -0.051 55.957 56.100 -0.154 0.000 1.037 479 R CB -0.073 29.798 30.300 -0.716 0.000 0.951 479 R HN 0.732 nan 8.270 nan 0.000 0.418 480 I N 0.616 121.240 120.570 0.090 0.000 2.676 480 I HA -0.043 4.113 4.170 -0.023 0.000 0.259 480 I C 0.378 176.481 176.117 -0.024 0.000 1.194 480 I CA 0.099 61.434 61.300 0.058 0.000 1.473 480 I CB -0.117 37.901 38.000 0.029 0.000 1.096 480 I HN 0.473 nan 8.210 nan 0.000 0.443 481 V N -1.792 118.160 119.914 0.064 0.000 3.206 481 V HA 0.505 4.612 4.120 -0.023 0.000 0.305 481 V C -0.978 175.193 176.094 0.129 0.000 1.257 481 V CA -1.216 61.104 62.300 0.034 0.000 1.057 481 V CB 1.801 33.582 31.823 -0.070 0.000 1.075 481 V HN 0.080 nan 8.190 nan 0.000 0.443 482 K N 0.911 121.353 120.400 0.071 0.000 2.292 482 K HA 0.356 4.662 4.320 -0.023 0.000 0.270 482 K C 0.551 177.258 176.600 0.177 0.000 1.062 482 K CA -0.488 55.857 56.287 0.097 0.000 0.916 482 K CB 0.784 33.297 32.500 0.021 0.000 1.166 482 K HN 0.950 nan 8.250 nan 0.000 0.458 483 H N 3.634 122.841 119.070 0.229 0.000 2.352 483 H HA -0.176 4.366 4.556 -0.024 0.000 0.299 483 H C 1.764 177.266 175.328 0.290 0.000 1.097 483 H CA 2.348 58.507 56.048 0.184 0.000 1.311 483 H CB 0.512 30.376 29.762 0.169 0.000 1.377 483 H HN 0.667 nan 8.280 nan 0.000 0.504 484 E N 0.358 120.684 120.200 0.210 0.000 2.267 484 E HA -0.107 4.229 4.350 -0.023 0.000 0.197 484 E C 1.950 178.601 176.600 0.086 0.000 0.998 484 E CA 1.344 57.860 56.400 0.193 0.000 0.830 484 E CB -0.500 29.326 29.700 0.211 0.000 0.751 484 E HN 0.485 nan 8.360 nan 0.000 0.491 485 V N 1.571 121.505 119.914 0.032 0.000 2.490 485 V HA -0.131 3.976 4.120 -0.023 0.000 0.238 485 V C 2.748 178.776 176.094 -0.109 0.000 1.056 485 V CA 1.143 63.416 62.300 -0.046 0.000 1.075 485 V CB -0.060 31.750 31.823 -0.022 0.000 0.746 485 V HN 0.287 nan 8.190 nan 0.000 0.479 486 V N 0.503 120.375 119.914 -0.070 0.000 2.469 486 V HA -0.293 3.813 4.120 -0.023 0.000 0.251 486 V C 2.520 178.548 176.094 -0.110 0.000 1.064 486 V CA 2.505 64.751 62.300 -0.090 0.000 1.066 486 V CB -1.499 30.287 31.823 -0.063 0.000 0.667 486 V HN 0.844 nan 8.190 nan 0.000 0.461 487 H N 1.306 120.256 119.070 -0.201 0.000 2.423 487 H HA -0.051 4.493 4.556 -0.021 0.000 0.297 487 H C 1.983 177.252 175.328 -0.099 0.000 1.075 487 H CA 1.834 57.779 56.048 -0.171 0.000 1.342 487 H CB -0.293 29.243 29.762 -0.376 0.000 1.395 487 H HN 0.442 nan 8.280 nan 0.000 0.530 488 K N 0.844 120.764 120.400 -0.799 0.000 2.057 488 K HA -0.135 4.171 4.320 -0.023 0.000 0.206 488 K C 2.429 178.872 176.600 -0.263 0.000 1.050 488 K CA 1.656 57.623 56.287 -0.534 0.000 0.935 488 K CB -0.012 32.216 32.500 -0.454 0.000 0.715 488 K HN 0.652 nan 8.250 nan 0.000 0.439 489 E N 0.854 120.915 120.200 -0.233 0.000 2.150 489 E HA -0.160 4.177 4.350 -0.023 0.000 0.193 489 E C 1.462 177.910 176.600 -0.252 0.000 0.985 489 E CA 0.996 57.272 56.400 -0.207 0.000 0.814 489 E CB -0.115 29.470 29.700 -0.192 0.000 0.752 489 E HN 0.150 nan 8.360 nan 0.000 0.466 490 N N 1.251 119.818 118.700 -0.222 0.000 2.216 490 N HA -0.045 4.681 4.740 -0.023 0.000 0.183 490 N C 1.980 177.422 175.510 -0.112 0.000 1.017 490 N CA 0.936 53.839 53.050 -0.245 0.000 0.861 490 N CB -0.233 38.275 38.487 0.035 0.000 0.986 490 N HN 0.256 nan 8.380 nan 0.000 0.428 491 I N 1.412 121.973 120.570 -0.016 0.000 2.151 491 I HA -0.329 3.828 4.170 -0.023 0.000 0.243 491 I C 1.973 178.087 176.117 -0.005 0.000 1.080 491 I CA 1.405 62.754 61.300 0.081 0.000 1.339 491 I CB -0.104 37.962 38.000 0.110 0.000 1.039 491 I HN 0.156 nan 8.210 nan 0.000 0.409 492 K N 0.192 120.544 120.400 -0.080 0.000 2.097 492 K HA -0.115 4.192 4.320 -0.023 0.000 0.205 492 K C 2.196 178.695 176.600 -0.168 0.000 1.050 492 K CA 0.974 57.202 56.287 -0.099 0.000 0.938 492 K CB -0.148 32.288 32.500 -0.107 0.000 0.718 492 K HN 0.300 nan 8.250 nan 0.000 0.442 493 R N 0.179 120.514 120.500 -0.275 0.000 2.105 493 R HA -0.051 4.275 4.340 -0.023 0.000 0.239 493 R C 2.304 178.494 176.300 -0.183 0.000 1.135 493 R CA 1.207 57.100 56.100 -0.346 0.000 0.967 493 R CB -0.155 29.628 30.300 -0.862 0.000 0.861 493 R HN 0.160 nan 8.270 nan 0.000 0.442 494 M N -0.520 118.961 119.600 -0.198 0.000 2.099 494 M HA -0.028 4.438 4.480 -0.023 0.000 0.262 494 M C 2.413 178.338 176.300 -0.625 0.000 1.067 494 M CA 1.567 56.636 55.300 -0.385 0.000 1.124 494 M CB -1.227 30.966 32.600 -0.680 0.000 1.353 494 M HN 0.290 nan 8.290 nan 0.000 0.410 495 G N 0.037 108.510 108.800 -0.544 0.000 2.446 495 G HA2 -0.145 3.801 3.960 -0.023 0.000 0.217 495 G HA3 -0.145 3.801 3.960 -0.023 0.000 0.217 495 G C 1.645 176.504 174.900 -0.068 0.000 1.168 495 G CA 1.395 46.367 45.100 -0.213 0.000 0.771 495 G HN 0.541 nan 8.290 nan 0.000 0.551 496 A N 1.077 123.849 122.820 -0.080 0.000 1.902 496 A HA 0.252 4.559 4.320 -0.023 0.000 0.217 496 A C 2.806 180.384 177.584 -0.009 0.000 1.181 496 A CA 2.371 54.384 52.037 -0.041 0.000 0.623 496 A CB -0.753 18.205 19.000 -0.069 0.000 0.818 496 A HN 0.826 nan 8.150 nan 0.000 0.443 497 A N -1.781 121.036 122.820 -0.005 0.000 1.929 497 A HA 0.018 4.325 4.320 -0.023 0.000 0.216 497 A C 2.056 179.701 177.584 0.101 0.000 1.176 497 A CA 1.357 53.410 52.037 0.027 0.000 0.628 497 A CB -0.710 18.293 19.000 0.004 0.000 0.816 497 A HN 0.516 nan 8.150 nan 0.000 0.444 498 Y N 0.309 120.546 120.300 -0.106 0.000 2.165 498 Y HA -0.203 4.334 4.550 -0.022 0.000 0.286 498 Y C 2.397 178.281 175.900 -0.027 0.000 1.155 498 Y CA 1.607 59.675 58.100 -0.053 0.000 1.164 498 Y CB -0.422 38.027 38.460 -0.018 0.000 0.978 498 Y HN 0.370 nan 8.280 nan 0.000 0.513 499 K N -0.112 120.369 120.400 0.136 0.000 2.032 499 K HA -0.157 4.150 4.320 -0.023 0.000 0.209 499 K C 1.966 178.581 176.600 0.024 0.000 1.048 499 K CA 1.728 58.054 56.287 0.065 0.000 0.927 499 K CB -0.354 32.173 32.500 0.044 0.000 0.712 499 K HN 0.117 nan 8.250 nan 0.000 0.441 500 V N 2.228 122.149 119.914 0.012 0.000 2.392 500 V HA -0.267 3.840 4.120 -0.023 0.000 0.249 500 V C 2.024 178.104 176.094 -0.022 0.000 1.059 500 V CA 1.892 64.186 62.300 -0.009 0.000 1.051 500 V CB -0.581 31.232 31.823 -0.017 0.000 0.658 500 V HN 0.435 nan 8.190 nan 0.000 0.455 501 N N -0.210 118.468 118.700 -0.036 0.000 2.216 501 N HA -0.084 4.643 4.740 -0.023 0.000 0.183 501 N C 2.061 177.536 175.510 -0.058 0.000 1.017 501 N CA 0.879 53.889 53.050 -0.066 0.000 0.861 501 N CB -0.117 38.294 38.487 -0.127 0.000 0.986 501 N HN 0.462 nan 8.380 nan 0.000 0.428 502 R N 1.223 121.698 120.500 -0.042 0.000 2.091 502 R HA -0.094 4.232 4.340 -0.023 0.000 0.238 502 R C 1.853 178.141 176.300 -0.021 0.000 1.136 502 R CA 1.050 57.132 56.100 -0.030 0.000 0.959 502 R CB -0.018 30.279 30.300 -0.004 0.000 0.856 502 R HN 0.297 nan 8.270 nan 0.000 0.437 503 E N 0.311 120.501 120.200 -0.015 0.000 2.031 503 E HA -0.159 4.178 4.350 -0.023 0.000 0.193 503 E C 2.210 178.800 176.600 -0.017 0.000 0.994 503 E CA 1.177 57.569 56.400 -0.013 0.000 0.800 503 E CB -0.585 29.109 29.700 -0.011 0.000 0.752 503 E HN 0.131 nan 8.360 nan 0.000 0.447 504 V N 1.742 121.643 119.914 -0.021 0.000 2.324 504 V HA -0.288 3.818 4.120 -0.023 0.000 0.250 504 V C 2.542 178.623 176.094 -0.022 0.000 1.060 504 V CA 2.114 64.401 62.300 -0.022 0.000 1.042 504 V CB -0.564 31.244 31.823 -0.026 0.000 0.650 504 V HN 0.187 nan 8.190 nan 0.000 0.450 505 R N 0.331 120.815 120.500 -0.028 0.000 2.070 505 R HA -0.149 4.178 4.340 -0.023 0.000 0.233 505 R C 2.492 178.781 176.300 -0.018 0.000 1.137 505 R CA 2.048 58.133 56.100 -0.026 0.000 0.945 505 R CB -0.809 29.470 30.300 -0.036 0.000 0.845 505 R HN 0.728 nan 8.270 nan 0.000 0.430 506 T N -2.566 111.978 114.554 -0.017 0.000 3.035 506 T HA 0.009 4.345 4.350 -0.023 0.000 0.268 506 T C 1.910 176.605 174.700 -0.009 0.000 1.109 506 T CA 0.954 63.048 62.100 -0.011 0.000 1.119 506 T CB 0.054 68.916 68.868 -0.010 0.000 0.900 506 T HN 0.325 nan 8.240 nan 0.000 0.503 507 G N 1.483 110.276 108.800 -0.011 0.000 2.448 507 G HA2 -0.021 3.925 3.960 -0.023 0.000 0.218 507 G HA3 -0.021 3.925 3.960 -0.023 0.000 0.218 507 G C 1.605 176.500 174.900 -0.008 0.000 1.135 507 G CA 0.083 45.177 45.100 -0.009 0.000 0.784 507 G HN 0.543 nan 8.290 nan 0.000 0.543 508 K N 0.395 120.789 120.400 -0.009 0.000 2.432 508 K HA 0.075 4.382 4.320 -0.023 0.000 0.196 508 K C 0.641 177.239 176.600 -0.005 0.000 1.038 508 K CA 0.252 56.535 56.287 -0.007 0.000 0.986 508 K CB 0.200 32.696 32.500 -0.008 0.000 0.782 508 K HN 0.304 nan 8.250 nan 0.000 0.485 509 E N 0.000 120.197 120.200 -0.005 0.000 2.725 509 E HA 0.000 4.336 4.350 -0.023 0.000 0.291 509 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 509 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440