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 1ltd_1_A DATA FIRST_RESID 10 DATA SEQUENCE KISPAEVAKH NKPDDCWVVI NGYVYDLTRF LPNHPGGQDV IKFNAGKDVT DATA SEQUENCE AIFEPLHAPN VIDKYIAPEK KLGPLQGSMP PELVCPPYAP GETKEDIARK DATA SEQUENCE EQLKSLLPPL DNIINLYDFE YLASQTLTKQ AWAYYSSGAN DEVTHRENHN DATA SEQUENCE AYHRIFFKPK ILVDVRKVDI STDMLGSHVD VPFYVSATAL CKLGNPLEGE DATA SEQUENCE KDVARGCGQG VTKVPQMIST LASCSPEEII EAAPSDKQIQ WYQLYVNSDR DATA SEQUENCE KITDDLVKNV EKLGVKALFV TVDAPSLGQR EKDMKLKFSN TXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XALSKFIDPS LTWKDIEELK KKTKLPIVIK GVQRTEDVIK DATA SEQUENCE AAEIGVSGVV LSNHGGRQLD FSRAPIEVLA ETMPILEQRN LKDKLEVFVD DATA SEQUENCE GGVRRGTDVL KALCLGAKGV GLGRPFLYAN SCYGRNGVEK AIEILRDEIE DATA SEQUENCE MSMRLLGVTS IAELKPDLLD LSTLKARTVG VPNDVLYNEV YEGPTLTEFE DATA SEQUENCE DA 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 10 K HA 0.000 nan 4.320 nan 0.000 0.191 10 K C 0.000 176.530 176.600 -0.117 0.000 0.988 10 K CA 0.000 56.222 56.287 -0.108 0.000 0.838 10 K CB 0.000 32.462 32.500 -0.063 0.000 1.064 11 I N 1.488 121.985 120.570 -0.122 0.000 2.644 11 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 11 I C -0.681 175.405 176.117 -0.050 0.000 1.180 11 I CA -0.718 60.525 61.300 -0.096 0.000 1.040 11 I CB 2.214 40.102 38.000 -0.187 0.000 1.255 11 I HN 0.757 nan 8.210 nan 0.000 0.422 12 S N 7.303 123.004 115.700 0.003 0.000 2.499 12 S HA 0.248 4.718 4.470 -0.000 0.000 0.275 12 S C -1.528 173.094 174.600 0.038 0.000 1.257 12 S CA -0.899 57.310 58.200 0.016 0.000 1.050 12 S CB 1.174 64.390 63.200 0.027 0.000 0.937 12 S HN 0.436 nan 8.310 nan 0.000 0.490 13 P HA -0.305 nan 4.420 nan 0.000 0.222 13 P C 1.413 178.751 177.300 0.063 0.000 1.155 13 P CA 1.944 65.065 63.100 0.035 0.000 0.890 13 P CB 0.075 31.788 31.700 0.022 0.000 0.790 14 A N -0.339 122.514 122.820 0.056 0.000 1.865 14 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 14 A C 2.380 180.019 177.584 0.090 0.000 1.191 14 A CA 2.406 54.479 52.037 0.060 0.000 0.623 14 A CB -1.442 17.583 19.000 0.041 0.000 0.826 14 A HN 0.251 nan 8.150 nan 0.000 0.444 15 E N -0.008 120.261 120.200 0.116 0.000 2.058 15 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 15 E C 1.735 178.494 176.600 0.264 0.000 0.997 15 E CA 1.803 58.308 56.400 0.175 0.000 0.801 15 E CB -0.652 29.168 29.700 0.201 0.000 0.746 15 E HN 0.234 nan 8.360 nan 0.000 0.450 16 V N 1.362 121.449 119.914 0.287 0.000 2.221 16 V HA -0.334 3.785 4.120 -0.000 0.000 0.244 16 V C 2.473 178.713 176.094 0.243 0.000 1.043 16 V CA 2.423 64.936 62.300 0.354 0.000 0.996 16 V CB -1.383 30.552 31.823 0.187 0.000 0.636 16 V HN 0.542 nan 8.190 nan 0.000 0.454 17 A N -0.778 122.140 122.820 0.164 0.000 1.985 17 A HA -0.389 3.931 4.320 -0.000 0.000 0.223 17 A C 2.187 179.850 177.584 0.132 0.000 1.189 17 A CA 2.674 54.787 52.037 0.127 0.000 0.658 17 A CB -0.764 18.288 19.000 0.086 0.000 0.820 17 A HN 0.612 nan 8.150 nan 0.000 0.464 18 K N -1.138 119.348 120.400 0.143 0.000 2.097 18 K HA -0.235 4.085 4.320 -0.000 0.000 0.214 18 K C 0.619 177.257 176.600 0.064 0.000 1.052 18 K CA 1.941 58.280 56.287 0.088 0.000 0.932 18 K CB -0.414 32.115 32.500 0.049 0.000 0.716 18 K HN 0.773 nan 8.250 nan 0.000 0.455 19 H N 0.531 119.524 119.070 -0.129 0.000 2.820 19 H HA 0.050 4.606 4.556 -0.000 0.000 0.291 19 H C -0.127 175.182 175.328 -0.032 0.000 1.412 19 H CA -0.260 55.687 56.048 -0.168 0.000 1.176 19 H CB -1.229 28.281 29.762 -0.420 0.000 1.467 19 H HN 0.277 nan 8.280 nan 0.000 0.517 20 N N 0.730 119.495 118.700 0.108 0.000 3.259 20 N HA 0.038 4.778 4.740 -0.000 0.000 0.308 20 N C -0.265 175.293 175.510 0.081 0.000 1.334 20 N CA -0.142 52.969 53.050 0.102 0.000 1.202 20 N CB 0.544 39.084 38.487 0.089 0.000 1.485 20 N HN 0.187 nan 8.380 nan 0.000 0.549 21 K N 0.440 120.885 120.400 0.075 0.000 2.464 21 K HA 0.414 4.733 4.320 -0.000 0.000 0.253 21 K C -2.033 174.605 176.600 0.062 0.000 0.933 21 K CA -1.900 54.421 56.287 0.057 0.000 0.801 21 K CB 2.368 34.882 32.500 0.023 0.000 1.271 21 K HN -0.283 nan 8.250 nan 0.000 0.430 22 P HA -0.244 nan 4.420 nan 0.000 0.222 22 P C -0.251 177.077 177.300 0.047 0.000 1.154 22 P CA 1.630 64.762 63.100 0.052 0.000 0.874 22 P CB 0.105 31.834 31.700 0.049 0.000 0.787 23 D N -1.518 118.906 120.400 0.041 0.000 2.615 23 D HA 0.012 4.652 4.640 -0.000 0.000 0.236 23 D C -0.201 176.129 176.300 0.050 0.000 1.233 23 D CA -0.018 54.006 54.000 0.040 0.000 0.829 23 D CB -0.639 40.176 40.800 0.025 0.000 1.024 23 D HN 0.287 nan 8.370 nan 0.000 0.490 24 D N -1.144 119.300 120.400 0.072 0.000 3.964 24 D HA -0.040 4.600 4.640 -0.000 0.000 0.269 24 D C -0.693 175.699 176.300 0.153 0.000 1.500 24 D CA -0.491 53.563 54.000 0.090 0.000 0.770 24 D CB -1.229 39.580 40.800 0.014 0.000 1.356 24 D HN 0.007 nan 8.370 nan 0.000 0.755 25 C N 1.747 121.155 119.300 0.179 0.000 2.663 25 C HA 0.252 4.712 4.460 -0.000 0.000 0.398 25 C C -0.196 175.001 174.990 0.344 0.000 1.356 25 C CA 0.039 59.181 59.018 0.207 0.000 1.629 25 C CB -1.469 26.363 27.740 0.153 0.000 2.402 25 C HN 0.399 nan 8.230 nan 0.000 0.598 26 W N 4.721 126.028 121.300 0.012 0.000 2.475 26 W HA 0.661 5.321 4.660 -0.000 0.000 0.317 26 W C -0.194 176.303 176.519 -0.036 0.000 1.046 26 W CA -0.426 56.878 57.345 -0.068 0.000 1.215 26 W CB 1.365 30.665 29.460 -0.268 0.000 1.335 26 W HN 0.445 nan 8.180 nan 0.000 0.471 27 V N 4.315 124.286 119.914 0.095 0.000 3.114 27 V HA 0.709 4.829 4.120 -0.000 0.000 0.308 27 V C -1.491 174.618 176.094 0.025 0.000 1.168 27 V CA -1.022 61.316 62.300 0.063 0.000 1.015 27 V CB 2.670 34.520 31.823 0.046 0.000 1.050 27 V HN 0.091 nan 8.190 nan 0.000 0.433 28 V N 5.919 125.847 119.914 0.024 0.000 2.487 28 V HA 0.614 4.734 4.120 -0.000 0.000 0.298 28 V C -0.613 175.512 176.094 0.052 0.000 1.028 28 V CA -0.381 61.930 62.300 0.019 0.000 0.860 28 V CB 1.568 33.376 31.823 -0.026 0.000 0.991 28 V HN 0.657 nan 8.190 nan 0.000 0.427 29 I N 3.341 123.991 120.570 0.134 0.000 2.478 29 I HA 0.455 4.625 4.170 -0.000 0.000 0.287 29 I C 0.109 176.313 176.117 0.146 0.000 1.042 29 I CA -0.773 60.568 61.300 0.068 0.000 1.067 29 I CB 1.701 39.569 38.000 -0.221 0.000 1.233 29 I HN 0.676 nan 8.210 nan 0.000 0.431 30 N N 4.386 123.145 118.700 0.098 0.000 2.688 30 N HA -0.175 4.565 4.740 -0.000 0.000 0.258 30 N C 0.786 176.358 175.510 0.103 0.000 1.016 30 N CA 1.083 54.189 53.050 0.094 0.000 0.747 30 N CB -0.541 38.001 38.487 0.091 0.000 0.895 30 N HN 1.220 nan 8.380 nan 0.000 0.543 31 G N -0.490 108.354 108.800 0.074 0.000 2.323 31 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.292 31 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.292 31 G C -0.564 174.376 174.900 0.068 0.000 1.040 31 G CA 0.674 45.802 45.100 0.046 0.000 0.942 31 G HN 0.649 nan 8.290 nan 0.000 0.506 32 Y N -1.390 118.815 120.300 -0.159 0.000 2.442 32 Y HA 0.460 5.010 4.550 -0.000 0.000 0.330 32 Y C -0.041 175.517 175.900 -0.571 0.000 1.100 32 Y CA -0.869 57.009 58.100 -0.370 0.000 1.034 32 Y CB 1.859 40.094 38.460 -0.375 0.000 1.285 32 Y HN 0.229 nan 8.280 nan 0.000 0.440 33 V N 6.293 125.734 119.914 -0.788 0.000 2.546 33 V HA 0.266 4.386 4.120 -0.000 0.000 0.284 33 V C -1.066 174.502 176.094 -0.877 0.000 1.050 33 V CA -0.137 61.736 62.300 -0.711 0.000 0.981 33 V CB 0.499 31.863 31.823 -0.763 0.000 0.990 33 V HN 0.619 nan 8.190 nan 0.000 0.474 34 Y N 1.464 121.574 120.300 -0.317 0.000 2.442 34 Y HA 0.409 4.959 4.550 -0.000 0.000 0.344 34 Y C -0.122 175.596 175.900 -0.304 0.000 0.976 34 Y CA -1.245 56.706 58.100 -0.249 0.000 1.040 34 Y CB 1.539 39.893 38.460 -0.177 0.000 1.228 34 Y HN 0.563 nan 8.280 nan 0.000 0.451 35 D N 2.630 122.967 120.400 -0.105 0.000 2.393 35 D HA 0.195 4.835 4.640 -0.000 0.000 0.232 35 D C -0.320 176.072 176.300 0.153 0.000 1.192 35 D CA 0.077 54.102 54.000 0.042 0.000 0.882 35 D CB 0.843 41.718 40.800 0.125 0.000 1.038 35 D HN 0.444 nan 8.370 nan 0.000 0.499 36 L N 3.379 124.717 121.223 0.192 0.000 2.741 36 L HA 0.164 4.503 4.340 -0.000 0.000 0.237 36 L C 1.874 178.894 176.870 0.250 0.000 1.178 36 L CA 0.347 55.321 54.840 0.223 0.000 0.973 36 L CB -0.174 41.998 42.059 0.189 0.000 1.255 36 L HN 0.377 nan 8.230 nan 0.000 0.498 37 T N -1.111 113.577 114.554 0.223 0.000 2.614 37 T HA -0.237 4.113 4.350 -0.000 0.000 0.263 37 T C 1.996 176.787 174.700 0.151 0.000 1.055 37 T CA 1.435 63.640 62.100 0.175 0.000 1.162 37 T CB -0.080 68.894 68.868 0.176 0.000 0.863 37 T HN 0.123 nan 8.240 nan 0.000 0.414 38 R N 0.366 120.964 120.500 0.163 0.000 2.139 38 R HA -0.081 4.259 4.340 -0.000 0.000 0.243 38 R C 1.949 178.347 176.300 0.163 0.000 1.145 38 R CA 1.282 57.470 56.100 0.146 0.000 0.976 38 R CB -0.751 29.641 30.300 0.154 0.000 0.866 38 R HN 0.437 nan 8.270 nan 0.000 0.449 39 F N 0.708 120.708 119.950 0.083 0.000 2.118 39 F HA -0.017 4.510 4.527 -0.000 0.000 0.293 39 F C 1.709 177.559 175.800 0.083 0.000 1.102 39 F CA 1.379 59.434 58.000 0.092 0.000 1.247 39 F CB -0.460 38.594 39.000 0.089 0.000 1.017 39 F HN 0.065 nan 8.300 nan 0.000 0.475 40 L N -0.022 121.119 121.223 -0.137 0.000 2.187 40 L HA -0.037 4.303 4.340 -0.000 0.000 0.213 40 L C -0.909 175.792 176.870 -0.281 0.000 1.100 40 L CA 0.842 55.510 54.840 -0.287 0.000 0.765 40 L CB -2.861 39.138 42.059 -0.099 0.000 0.904 40 L HN 0.062 nan 8.230 nan 0.000 0.437 41 P HA -0.073 nan 4.420 nan 0.000 0.239 41 P C 0.161 177.354 177.300 -0.177 0.000 1.184 41 P CA 1.057 64.073 63.100 -0.140 0.000 0.760 41 P CB -0.011 31.645 31.700 -0.074 0.000 0.884 42 N N -1.377 117.135 118.700 -0.313 0.000 2.197 42 N HA 0.001 4.741 4.740 -0.000 0.000 0.228 42 N C 0.238 175.514 175.510 -0.390 0.000 1.212 42 N CA -0.207 52.690 53.050 -0.256 0.000 0.883 42 N CB -0.066 38.357 38.487 -0.107 0.000 1.107 42 N HN 0.350 nan 8.380 nan 0.000 0.519 43 H N 2.545 121.200 119.070 -0.692 0.000 2.899 43 H HA 0.101 4.657 4.556 -0.000 0.000 0.303 43 H C -1.664 173.464 175.328 -0.334 0.000 1.042 43 H CA -0.939 54.803 56.048 -0.509 0.000 1.479 43 H CB 1.735 31.274 29.762 -0.372 0.000 1.493 43 H HN -0.080 nan 8.280 nan 0.000 0.534 44 P HA -0.065 nan 4.420 nan 0.000 0.216 44 P C 0.864 177.802 177.300 -0.603 0.000 1.153 44 P CA 1.399 64.014 63.100 -0.808 0.000 0.848 44 P CB 0.026 31.131 31.700 -0.992 0.000 0.787 45 G N -0.567 107.748 108.800 -0.807 0.000 3.455 45 G HA2 0.407 4.367 3.960 -0.000 0.000 0.250 45 G HA3 0.407 4.367 3.960 -0.000 0.000 0.250 45 G C 0.333 175.256 174.900 0.037 0.000 1.071 45 G CA 0.108 45.053 45.100 -0.258 0.000 1.812 45 G HN 0.441 nan 8.290 nan 0.000 0.643 46 G N 0.580 109.368 108.800 -0.021 0.000 2.915 46 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 46 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 46 G C 0.766 175.706 174.900 0.066 0.000 1.414 46 G CA 0.139 45.245 45.100 0.010 0.000 1.053 46 G HN 0.947 nan 8.290 nan 0.000 0.598 47 Q N 0.193 119.960 119.800 -0.055 0.000 2.435 47 Q HA -0.006 4.334 4.340 -0.000 0.000 0.207 47 Q C 1.421 177.261 176.000 -0.266 0.000 0.956 47 Q CA 1.178 56.903 55.803 -0.130 0.000 0.917 47 Q CB 0.197 28.861 28.738 -0.123 0.000 0.997 47 Q HN 0.660 nan 8.270 nan 0.000 0.497 48 D N 1.596 121.793 120.400 -0.339 0.000 2.104 48 D HA -0.165 4.474 4.640 -0.000 0.000 0.194 48 D C 2.145 177.753 176.300 -1.153 0.000 0.994 48 D CA 2.132 55.659 54.000 -0.788 0.000 0.830 48 D CB 0.021 40.472 40.800 -0.581 0.000 0.959 48 D HN 0.343 nan 8.370 nan 0.000 0.452 49 V N 0.177 119.735 119.914 -0.594 0.000 2.282 49 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 49 V C 2.523 178.435 176.094 -0.303 0.000 1.057 49 V CA 1.392 63.460 62.300 -0.388 0.000 1.032 49 V CB -0.969 30.660 31.823 -0.323 0.000 0.645 49 V HN 0.126 nan 8.190 nan 0.000 0.447 50 I N 0.344 120.725 120.570 -0.315 0.000 2.252 50 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 50 I C 2.740 178.797 176.117 -0.099 0.000 1.102 50 I CA 2.127 63.316 61.300 -0.185 0.000 1.385 50 I CB -0.456 37.433 38.000 -0.186 0.000 1.064 50 I HN 0.366 nan 8.210 nan 0.000 0.414 51 K N 1.407 121.707 120.400 -0.166 0.000 1.987 51 K HA -0.242 4.078 4.320 -0.000 0.000 0.216 51 K C 2.167 178.824 176.600 0.095 0.000 1.051 51 K CA 2.145 58.392 56.287 -0.066 0.000 0.942 51 K CB -0.265 32.137 32.500 -0.162 0.000 0.722 51 K HN 0.016 nan 8.250 nan 0.000 0.444 52 F N 1.126 121.091 119.950 0.026 0.000 2.091 52 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 52 F C 1.693 177.514 175.800 0.035 0.000 1.103 52 F CA 1.366 59.387 58.000 0.035 0.000 1.228 52 F CB -1.159 37.867 39.000 0.042 0.000 0.984 52 F HN 0.204 nan 8.300 nan 0.000 0.477 53 N N -0.275 118.547 118.700 0.204 0.000 2.314 53 N HA 0.299 5.039 4.740 -0.000 0.000 0.200 53 N C 0.190 175.760 175.510 0.099 0.000 1.135 53 N CA 0.201 53.332 53.050 0.135 0.000 0.835 53 N CB 0.010 38.556 38.487 0.097 0.000 0.989 53 N HN 0.121 nan 8.380 nan 0.000 0.478 54 A N -0.261 122.622 122.820 0.105 0.000 2.466 54 A HA 0.479 4.799 4.320 -0.000 0.000 0.238 54 A C 1.575 179.230 177.584 0.118 0.000 1.074 54 A CA 0.474 52.577 52.037 0.109 0.000 0.774 54 A CB -0.307 18.762 19.000 0.115 0.000 1.015 54 A HN 0.424 nan 8.150 nan 0.000 0.498 55 G N 0.533 109.414 108.800 0.135 0.000 2.162 55 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 55 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 55 G C 0.208 175.169 174.900 0.102 0.000 0.976 55 G CA 1.080 46.260 45.100 0.132 0.000 0.655 55 G HN 0.910 nan 8.290 nan 0.000 0.533 56 K N -0.479 119.974 120.400 0.088 0.000 2.346 56 K HA 0.552 4.872 4.320 -0.000 0.000 0.238 56 K C -1.105 175.529 176.600 0.056 0.000 1.039 56 K CA -0.839 55.489 56.287 0.070 0.000 0.861 56 K CB 1.281 33.824 32.500 0.071 0.000 1.278 56 K HN 0.064 nan 8.250 nan 0.000 0.460 57 D N 0.729 121.158 120.400 0.048 0.000 2.396 57 D HA 0.097 4.737 4.640 -0.000 0.000 0.225 57 D C -0.185 176.146 176.300 0.052 0.000 1.121 57 D CA -0.170 53.855 54.000 0.042 0.000 0.853 57 D CB 1.213 42.035 40.800 0.037 0.000 1.043 57 D HN 0.165 nan 8.370 nan 0.000 0.500 58 V N 3.506 123.449 119.914 0.048 0.000 3.647 58 V HA -0.068 4.051 4.120 -0.000 0.000 0.279 58 V C 1.634 177.784 176.094 0.093 0.000 1.314 58 V CA 0.878 63.215 62.300 0.062 0.000 1.125 58 V CB -0.324 31.522 31.823 0.038 0.000 0.907 58 V HN 0.770 nan 8.190 nan 0.000 0.434 59 T N 1.128 115.736 114.554 0.091 0.000 2.755 59 T HA -0.331 4.019 4.350 -0.000 0.000 0.266 59 T C 1.918 176.705 174.700 0.145 0.000 1.041 59 T CA 1.958 64.139 62.100 0.135 0.000 1.147 59 T CB -0.428 68.500 68.868 0.102 0.000 0.847 59 T HN 0.661 nan 8.240 nan 0.000 0.478 60 A N 0.889 123.775 122.820 0.111 0.000 2.014 60 A HA 0.055 4.374 4.320 -0.000 0.000 0.218 60 A C 2.219 179.871 177.584 0.114 0.000 1.163 60 A CA 0.741 52.840 52.037 0.102 0.000 0.652 60 A CB -0.400 18.652 19.000 0.086 0.000 0.808 60 A HN 0.421 nan 8.150 nan 0.000 0.449 61 I N -1.643 119.002 120.570 0.125 0.000 2.202 61 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 61 I C 2.265 178.459 176.117 0.129 0.000 1.091 61 I CA 1.225 62.592 61.300 0.113 0.000 1.368 61 I CB -1.460 36.577 38.000 0.061 0.000 1.058 61 I HN 0.396 nan 8.210 nan 0.000 0.410 62 F N 1.977 121.937 119.950 0.017 0.000 2.025 62 F HA -0.207 4.320 4.527 -0.000 0.000 0.291 62 F C 2.710 178.567 175.800 0.096 0.000 1.150 62 F CA 2.014 60.007 58.000 -0.013 0.000 1.166 62 F CB -0.468 38.436 39.000 -0.159 0.000 0.995 62 F HN 0.005 nan 8.300 nan 0.000 0.474 63 E N 0.600 120.904 120.200 0.173 0.000 2.113 63 E HA -0.242 4.108 4.350 -0.000 0.000 0.210 63 E C -0.956 175.642 176.600 -0.005 0.000 1.040 63 E CA 2.318 58.774 56.400 0.093 0.000 0.847 63 E CB -1.285 28.488 29.700 0.122 0.000 0.755 63 E HN 0.311 nan 8.360 nan 0.000 0.459 64 P HA -0.006 nan 4.420 nan 0.000 0.253 64 P C 0.320 177.583 177.300 -0.061 0.000 1.260 64 P CA 0.763 63.856 63.100 -0.012 0.000 0.800 64 P CB 0.261 31.969 31.700 0.013 0.000 1.162 65 L N -1.391 119.763 121.223 -0.116 0.000 3.135 65 L HA 0.276 4.616 4.340 -0.000 0.000 0.279 65 L C -0.115 176.434 176.870 -0.536 0.000 1.200 65 L CA -0.113 54.560 54.840 -0.278 0.000 1.016 65 L CB 0.165 42.023 42.059 -0.335 0.000 1.391 65 L HN 0.027 nan 8.230 nan 0.000 0.588 66 H N -0.695 118.172 119.070 -0.338 0.000 2.797 66 H HA 0.613 5.169 4.556 -0.000 0.000 0.372 66 H C 0.113 175.354 175.328 -0.146 0.000 1.168 66 H CA -0.576 55.292 56.048 -0.300 0.000 1.163 66 H CB 1.425 30.852 29.762 -0.558 0.000 1.778 66 H HN 0.036 nan 8.280 nan 0.000 0.551 67 A N 2.579 125.426 122.820 0.046 0.000 2.498 67 A HA 0.158 4.478 4.320 -0.000 0.000 0.239 67 A C -1.235 176.403 177.584 0.089 0.000 1.068 67 A CA -0.876 51.202 52.037 0.069 0.000 0.766 67 A CB -0.096 18.970 19.000 0.109 0.000 1.003 67 A HN 0.720 nan 8.150 nan 0.000 0.497 68 P HA -0.160 nan 4.420 nan 0.000 0.222 68 P C 0.530 177.872 177.300 0.070 0.000 1.147 68 P CA 1.284 64.424 63.100 0.065 0.000 0.790 68 P CB -0.007 31.719 31.700 0.042 0.000 0.780 69 N N 0.329 119.075 118.700 0.077 0.000 2.336 69 N HA -0.029 4.711 4.740 -0.000 0.000 0.189 69 N C 1.525 177.086 175.510 0.084 0.000 1.113 69 N CA 0.542 53.627 53.050 0.057 0.000 0.858 69 N CB -0.799 37.714 38.487 0.044 0.000 0.970 69 N HN 0.136 nan 8.380 nan 0.000 0.471 70 V N -1.260 118.754 119.914 0.166 0.000 2.453 70 V HA -0.013 4.107 4.120 -0.000 0.000 0.247 70 V C 2.263 178.463 176.094 0.175 0.000 1.048 70 V CA 0.651 63.119 62.300 0.279 0.000 1.049 70 V CB -0.661 31.396 31.823 0.390 0.000 0.672 70 V HN 0.078 nan 8.190 nan 0.000 0.457 71 I N 0.759 121.349 120.570 0.033 0.000 2.179 71 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 71 I C 2.582 178.637 176.117 -0.103 0.000 1.088 71 I CA 2.139 63.351 61.300 -0.146 0.000 1.357 71 I CB -0.640 37.168 38.000 -0.320 0.000 1.051 71 I HN 0.324 nan 8.210 nan 0.000 0.409 72 D N 0.783 121.137 120.400 -0.076 0.000 2.178 72 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 72 D C 2.081 178.308 176.300 -0.122 0.000 0.980 72 D CA 1.365 55.315 54.000 -0.083 0.000 0.842 72 D CB -0.012 40.746 40.800 -0.070 0.000 0.948 72 D HN 0.322 nan 8.370 nan 0.000 0.472 73 K N -0.811 119.486 120.400 -0.171 0.000 2.262 73 K HA -0.065 4.255 4.320 -0.000 0.000 0.200 73 K C 1.374 177.620 176.600 -0.590 0.000 1.049 73 K CA 0.533 56.582 56.287 -0.396 0.000 0.979 73 K CB 0.262 32.477 32.500 -0.475 0.000 0.773 73 K HN 0.057 nan 8.250 nan 0.000 0.474 74 Y N -0.059 120.247 120.300 0.009 0.000 2.535 74 Y HA 0.301 4.851 4.550 -0.000 0.000 0.266 74 Y C 0.451 176.352 175.900 0.002 0.000 1.088 74 Y CA -0.279 57.841 58.100 0.034 0.000 1.285 74 Y CB 0.678 39.223 38.460 0.141 0.000 1.166 74 Y HN -0.149 nan 8.280 nan 0.000 0.525 75 I N 0.743 121.326 120.570 0.022 0.000 2.385 75 I HA 0.364 4.534 4.170 -0.000 0.000 0.294 75 I C 0.323 176.448 176.117 0.013 0.000 0.988 75 I CA -1.128 60.169 61.300 -0.004 0.000 1.265 75 I CB 1.147 39.079 38.000 -0.114 0.000 1.388 75 I HN -0.022 nan 8.210 nan 0.000 0.480 76 A N 9.381 132.229 122.820 0.046 0.000 2.540 76 A HA 0.182 4.502 4.320 -0.000 0.000 0.239 76 A C -1.247 176.354 177.584 0.029 0.000 1.061 76 A CA -0.853 51.206 52.037 0.037 0.000 0.758 76 A CB -0.298 18.735 19.000 0.054 0.000 0.991 76 A HN 0.634 nan 8.150 nan 0.000 0.502 77 P HA -0.205 nan 4.420 nan 0.000 0.218 77 P C 0.550 177.865 177.300 0.025 0.000 1.148 77 P CA 1.693 64.800 63.100 0.011 0.000 0.822 77 P CB 0.049 31.749 31.700 -0.000 0.000 0.784 78 E N -0.586 119.630 120.200 0.028 0.000 2.463 78 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 78 E C 1.370 177.991 176.600 0.035 0.000 1.083 78 E CA 0.412 56.830 56.400 0.029 0.000 0.872 78 E CB -0.452 29.265 29.700 0.028 0.000 0.966 78 E HN 0.147 nan 8.360 nan 0.000 0.491 79 K N 0.794 121.223 120.400 0.048 0.000 2.354 79 K HA 0.131 4.451 4.320 -0.000 0.000 0.194 79 K C 0.006 176.642 176.600 0.060 0.000 1.045 79 K CA 0.124 56.444 56.287 0.055 0.000 1.026 79 K CB 0.406 32.953 32.500 0.079 0.000 0.866 79 K HN 0.129 nan 8.250 nan 0.000 0.530 80 K N 2.003 122.465 120.400 0.103 0.000 2.228 80 K HA 0.067 4.387 4.320 -0.000 0.000 0.284 80 K C 0.760 177.403 176.600 0.071 0.000 1.088 80 K CA -0.252 56.141 56.287 0.177 0.000 0.941 80 K CB 0.525 33.117 32.500 0.153 0.000 1.158 80 K HN -0.175 nan 8.250 nan 0.000 0.438 81 L N 1.574 122.682 121.223 -0.192 0.000 1.938 81 L HA 0.069 4.409 4.340 -0.000 0.000 0.212 81 L C 1.137 177.741 176.870 -0.443 0.000 1.085 81 L CA 1.730 56.360 54.840 -0.350 0.000 0.760 81 L CB -0.441 41.249 42.059 -0.615 0.000 0.888 81 L HN 0.822 nan 8.230 nan 0.000 0.433 82 G N -3.723 104.525 108.800 -0.921 0.000 2.506 82 G HA2 0.427 4.387 3.960 -0.000 0.000 0.292 82 G HA3 0.427 4.387 3.960 -0.000 0.000 0.292 82 G C -3.000 171.059 174.900 -1.402 0.000 1.425 82 G CA -0.798 43.711 45.100 -0.985 0.000 0.788 82 G HN -0.153 nan 8.290 nan 0.000 0.490 83 P HA 0.237 nan 4.420 nan 0.000 0.261 83 P C -0.172 176.908 177.300 -0.366 0.000 1.183 83 P CA -0.179 62.618 63.100 -0.504 0.000 0.761 83 P CB 0.711 32.276 31.700 -0.224 0.000 0.785 84 L N 4.391 125.441 121.223 -0.288 0.000 2.331 84 L HA 0.127 4.467 4.340 -0.000 0.000 0.278 84 L C 0.303 177.107 176.870 -0.110 0.000 1.106 84 L CA 0.244 54.971 54.840 -0.187 0.000 0.824 84 L CB 0.195 42.171 42.059 -0.138 0.000 1.142 84 L HN 0.318 nan 8.230 nan 0.000 0.443 85 Q N 4.860 124.610 119.800 -0.082 0.000 2.325 85 Q HA 0.307 4.647 4.340 -0.000 0.000 0.256 85 Q C 1.031 177.013 176.000 -0.030 0.000 1.142 85 Q CA 0.685 56.457 55.803 -0.050 0.000 0.902 85 Q CB 0.249 28.964 28.738 -0.038 0.000 1.350 85 Q HN 1.069 nan 8.270 nan 0.000 0.449 86 G N 2.700 111.485 108.800 -0.025 0.000 4.766 86 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.314 86 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.314 86 G C 0.147 175.042 174.900 -0.008 0.000 1.427 86 G CA 0.197 45.289 45.100 -0.012 0.000 1.024 86 G HN 0.605 nan 8.290 nan 0.000 0.754 87 S N -0.694 115.003 115.700 -0.005 0.000 2.615 87 S HA 0.633 5.103 4.470 -0.000 0.000 0.268 87 S C -0.401 174.202 174.600 0.006 0.000 1.146 87 S CA -0.522 57.679 58.200 0.002 0.000 0.818 87 S CB 1.318 64.523 63.200 0.008 0.000 1.111 87 S HN 0.636 nan 8.310 nan 0.000 0.465 88 M N 1.842 121.450 119.600 0.013 0.000 2.202 88 M HA 0.341 4.821 4.480 -0.000 0.000 0.316 88 M C -2.310 174.002 176.300 0.021 0.000 1.138 88 M CA -1.821 53.491 55.300 0.020 0.000 1.151 88 M CB -0.635 31.982 32.600 0.027 0.000 1.422 88 M HN 0.319 nan 8.290 nan 0.000 0.471 89 P HA -0.019 nan 4.420 nan 0.000 0.263 89 P C -2.035 175.280 177.300 0.026 0.000 1.168 89 P CA -0.434 62.681 63.100 0.024 0.000 0.759 89 P CB -0.182 31.534 31.700 0.027 0.000 0.782 90 P HA -0.163 nan 4.420 nan 0.000 0.219 90 P C 0.783 178.099 177.300 0.027 0.000 1.146 90 P CA 1.348 64.462 63.100 0.024 0.000 0.808 90 P CB 0.203 31.915 31.700 0.020 0.000 0.779 91 E N -1.373 118.843 120.200 0.027 0.000 2.394 91 E HA 0.158 4.507 4.350 -0.000 0.000 0.191 91 E C 0.785 177.407 176.600 0.036 0.000 1.044 91 E CA 0.055 56.472 56.400 0.030 0.000 0.939 91 E CB -0.800 28.915 29.700 0.025 0.000 1.089 91 E HN 0.191 nan 8.360 nan 0.000 0.456 92 L N 0.085 121.330 121.223 0.038 0.000 2.959 92 L HA 0.246 4.586 4.340 -0.000 0.000 0.259 92 L C -0.116 176.783 176.870 0.048 0.000 1.185 92 L CA -0.244 54.623 54.840 0.045 0.000 0.998 92 L CB 0.759 42.845 42.059 0.045 0.000 1.337 92 L HN -0.044 nan 8.230 nan 0.000 0.555 93 V N -2.771 117.170 119.914 0.045 0.000 2.370 93 V HA 0.407 4.527 4.120 -0.000 0.000 0.283 93 V C 0.210 176.337 176.094 0.056 0.000 1.023 93 V CA -1.150 61.179 62.300 0.049 0.000 0.857 93 V CB 0.865 32.713 31.823 0.042 0.000 0.985 93 V HN 0.101 nan 8.190 nan 0.000 0.443 94 C N 8.320 127.659 119.300 0.065 0.000 2.576 94 C HA 0.500 4.960 4.460 -0.000 0.000 0.401 94 C C -1.214 173.823 174.990 0.080 0.000 1.314 94 C CA -0.483 58.582 59.018 0.078 0.000 1.855 94 C CB -0.116 27.677 27.740 0.088 0.000 2.537 94 C HN 0.850 nan 8.230 nan 0.000 0.578 95 P HA 0.316 nan 4.420 nan 0.000 0.279 95 P C -2.801 174.558 177.300 0.098 0.000 1.252 95 P CA -1.481 61.663 63.100 0.075 0.000 0.811 95 P CB 0.034 31.770 31.700 0.060 0.000 1.035 96 P HA 0.025 nan 4.420 nan 0.000 0.267 96 P C -0.524 176.860 177.300 0.139 0.000 1.205 96 P CA 0.214 63.380 63.100 0.110 0.000 0.765 96 P CB -0.233 31.511 31.700 0.072 0.000 0.828 97 Y N 3.754 124.069 120.300 0.026 0.000 2.754 97 Y HA 0.275 4.824 4.550 -0.000 0.000 0.349 97 Y C -0.009 175.893 175.900 0.003 0.000 1.179 97 Y CA -0.164 57.949 58.100 0.022 0.000 1.538 97 Y CB -0.321 38.155 38.460 0.027 0.000 1.200 97 Y HN 0.430 nan 8.280 nan 0.000 0.522 98 A N 9.410 132.108 122.820 -0.203 0.000 3.082 98 A HA 0.388 4.708 4.320 -0.000 0.000 0.328 98 A C -2.819 174.597 177.584 -0.281 0.000 1.089 98 A CA -1.471 50.406 52.037 -0.267 0.000 0.802 98 A CB -0.105 18.825 19.000 -0.116 0.000 1.138 98 A HN 0.581 nan 8.150 nan 0.000 0.474 99 P HA 0.192 nan 4.420 nan 0.000 0.264 99 P C 1.091 178.301 177.300 -0.151 0.000 1.193 99 P CA 1.863 64.806 63.100 -0.262 0.000 0.763 99 P CB 0.913 32.428 31.700 -0.307 0.000 0.810 100 G N 1.830 110.579 108.800 -0.084 0.000 2.184 100 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 100 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 100 G C 0.182 175.055 174.900 -0.045 0.000 0.975 100 G CA 0.303 45.373 45.100 -0.050 0.000 0.642 100 G HN 0.634 nan 8.290 nan 0.000 0.536 101 E N 1.586 121.749 120.200 -0.061 0.000 2.229 101 E HA 0.607 4.956 4.350 -0.000 0.000 0.283 101 E C 1.331 177.909 176.600 -0.036 0.000 1.030 101 E CA 0.396 56.766 56.400 -0.050 0.000 0.836 101 E CB 0.553 30.215 29.700 -0.063 0.000 1.068 101 E HN 0.314 nan 8.360 nan 0.000 0.401 102 T N 3.075 117.612 114.554 -0.027 0.000 3.768 102 T HA 0.109 4.459 4.350 -0.000 0.000 0.372 102 T C 0.941 175.629 174.700 -0.019 0.000 1.243 102 T CA -0.430 61.658 62.100 -0.020 0.000 0.944 102 T CB 0.142 69.000 68.868 -0.016 0.000 1.883 102 T HN 0.413 nan 8.240 nan 0.000 0.541 103 K N 0.753 121.144 120.400 -0.015 0.000 2.525 103 K HA 0.015 4.335 4.320 -0.000 0.000 0.192 103 K C 2.025 178.614 176.600 -0.018 0.000 1.029 103 K CA 0.209 56.488 56.287 -0.014 0.000 1.029 103 K CB -0.106 32.388 32.500 -0.010 0.000 0.814 103 K HN 0.494 nan 8.250 nan 0.000 0.503 104 E N 1.396 121.583 120.200 -0.023 0.000 2.271 104 E HA -0.283 4.067 4.350 -0.000 0.000 0.209 104 E C 1.174 177.755 176.600 -0.032 0.000 1.046 104 E CA 1.486 57.868 56.400 -0.029 0.000 0.840 104 E CB -0.139 29.540 29.700 -0.035 0.000 0.738 104 E HN 0.352 nan 8.360 nan 0.000 0.470 105 D N 0.278 120.661 120.400 -0.029 0.000 2.200 105 D HA -0.222 4.418 4.640 -0.000 0.000 0.192 105 D C 1.815 178.099 176.300 -0.026 0.000 1.008 105 D CA 1.145 55.128 54.000 -0.028 0.000 0.872 105 D CB -0.053 40.734 40.800 -0.021 0.000 0.923 105 D HN 0.214 nan 8.370 nan 0.000 0.447 106 I N 0.897 121.454 120.570 -0.022 0.000 2.400 106 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 106 I C 2.616 178.718 176.117 -0.025 0.000 1.109 106 I CA 0.390 61.678 61.300 -0.020 0.000 1.425 106 I CB -1.243 36.749 38.000 -0.015 0.000 1.094 106 I HN -0.149 nan 8.210 nan 0.000 0.425 107 A N 0.668 123.472 122.820 -0.028 0.000 2.019 107 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 107 A C 2.394 179.952 177.584 -0.043 0.000 1.164 107 A CA 1.308 53.326 52.037 -0.032 0.000 0.644 107 A CB -0.524 18.457 19.000 -0.031 0.000 0.805 107 A HN 0.337 nan 8.150 nan 0.000 0.449 108 R N -0.986 119.484 120.500 -0.050 0.000 2.200 108 R HA 0.058 4.397 4.340 -0.000 0.000 0.208 108 R C 1.841 178.106 176.300 -0.058 0.000 1.033 108 R CA 1.032 57.093 56.100 -0.065 0.000 1.000 108 R CB -0.067 30.190 30.300 -0.071 0.000 0.906 108 R HN 0.422 nan 8.270 nan 0.000 0.462 109 K N 0.509 120.883 120.400 -0.043 0.000 2.305 109 K HA -0.102 4.218 4.320 -0.000 0.000 0.199 109 K C 1.694 178.274 176.600 -0.034 0.000 1.047 109 K CA 1.041 57.306 56.287 -0.037 0.000 0.976 109 K CB 0.374 32.858 32.500 -0.026 0.000 0.765 109 K HN 0.250 nan 8.250 nan 0.000 0.474 110 E N 0.202 120.383 120.200 -0.032 0.000 2.076 110 E HA -0.219 4.131 4.350 -0.000 0.000 0.190 110 E C 1.927 178.508 176.600 -0.033 0.000 0.979 110 E CA 0.702 57.086 56.400 -0.026 0.000 0.807 110 E CB -0.172 29.515 29.700 -0.021 0.000 0.761 110 E HN 0.014 nan 8.360 nan 0.000 0.454 111 Q N 1.099 120.872 119.800 -0.044 0.000 2.096 111 Q HA -0.212 4.128 4.340 -0.000 0.000 0.208 111 Q C 2.181 178.141 176.000 -0.067 0.000 0.993 111 Q CA 2.487 58.255 55.803 -0.058 0.000 0.862 111 Q CB -0.315 28.375 28.738 -0.079 0.000 0.915 111 Q HN 0.574 nan 8.270 nan 0.000 0.416 112 L N -0.924 120.255 121.223 -0.073 0.000 2.127 112 L HA 0.172 4.512 4.340 -0.000 0.000 0.203 112 L C 1.009 177.842 176.870 -0.061 0.000 1.080 112 L CA 1.127 55.915 54.840 -0.085 0.000 0.768 112 L CB -0.799 41.204 42.059 -0.094 0.000 0.924 112 L HN -0.080 nan 8.230 nan 0.000 0.444 113 K N 1.440 121.815 120.400 -0.041 0.000 2.315 113 K HA 0.005 4.325 4.320 -0.000 0.000 0.281 113 K C 0.353 176.945 176.600 -0.012 0.000 1.086 113 K CA 0.886 57.159 56.287 -0.023 0.000 1.042 113 K CB 0.007 32.498 32.500 -0.015 0.000 0.949 113 K HN 0.549 nan 8.250 nan 0.000 0.450 114 S N 2.665 118.362 115.700 -0.005 0.000 3.002 114 S HA -0.192 4.278 4.470 -0.000 0.000 0.289 114 S C 0.831 175.441 174.600 0.017 0.000 1.309 114 S CA 1.224 59.433 58.200 0.015 0.000 1.195 114 S CB -0.719 62.493 63.200 0.019 0.000 1.433 114 S HN 0.672 nan 8.310 nan 0.000 0.711 115 L N 0.750 121.974 121.223 0.003 0.000 2.552 115 L HA 0.235 4.575 4.340 -0.000 0.000 0.227 115 L C 0.860 177.740 176.870 0.017 0.000 1.146 115 L CA 1.003 55.848 54.840 0.009 0.000 0.858 115 L CB -0.384 41.673 42.059 -0.002 0.000 0.969 115 L HN 0.424 nan 8.230 nan 0.000 0.451 116 L N 2.513 123.741 121.223 0.008 0.000 2.462 116 L HA 0.137 4.477 4.340 -0.000 0.000 0.272 116 L C -1.597 175.341 176.870 0.113 0.000 1.166 116 L CA -1.453 53.403 54.840 0.028 0.000 0.880 116 L CB 0.372 42.393 42.059 -0.063 0.000 1.142 116 L HN 0.020 nan 8.230 nan 0.000 0.473 117 P HA 0.146 nan 4.420 nan 0.000 0.272 117 P C -2.580 174.817 177.300 0.162 0.000 1.230 117 P CA -1.296 61.881 63.100 0.128 0.000 0.788 117 P CB -0.144 31.618 31.700 0.103 0.000 0.949 118 P HA 0.026 nan 4.420 nan 0.000 0.271 118 P C 0.906 178.206 177.300 0.001 0.000 1.216 118 P CA -0.309 62.834 63.100 0.071 0.000 0.771 118 P CB 0.643 32.365 31.700 0.038 0.000 0.864 119 L N 3.083 124.258 121.223 -0.080 0.000 2.450 119 L HA -0.166 4.174 4.340 -0.000 0.000 0.225 119 L C 0.735 177.504 176.870 -0.168 0.000 1.145 119 L CA 1.887 56.544 54.840 -0.305 0.000 0.801 119 L CB -1.144 40.665 42.059 -0.416 0.000 0.924 119 L HN 0.270 nan 8.230 nan 0.000 0.447 120 D N -1.919 118.432 120.400 -0.082 0.000 2.339 120 D HA -0.006 4.634 4.640 -0.000 0.000 0.217 120 D C 1.061 177.328 176.300 -0.054 0.000 1.050 120 D CA 0.223 54.189 54.000 -0.057 0.000 0.856 120 D CB -0.075 40.707 40.800 -0.031 0.000 0.922 120 D HN 0.287 nan 8.370 nan 0.000 0.518 121 N N 0.191 118.856 118.700 -0.058 0.000 2.280 121 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 121 N C -0.247 175.216 175.510 -0.078 0.000 1.109 121 N CA -0.003 53.018 53.050 -0.048 0.000 0.855 121 N CB 0.534 39.008 38.487 -0.022 0.000 0.974 121 N HN 0.120 nan 8.380 nan 0.000 0.482 122 I N 1.645 122.134 120.570 -0.134 0.000 2.436 122 I HA 0.053 4.223 4.170 -0.000 0.000 0.289 122 I C 1.426 177.434 176.117 -0.182 0.000 1.083 122 I CA 0.101 61.266 61.300 -0.225 0.000 1.372 122 I CB 0.135 37.894 38.000 -0.402 0.000 1.408 122 I HN 0.066 nan 8.210 nan 0.000 0.516 123 I N 6.167 126.649 120.570 -0.145 0.000 3.228 123 I HA -0.013 4.157 4.170 -0.000 0.000 0.279 123 I C 0.850 176.905 176.117 -0.104 0.000 1.221 123 I CA 0.378 61.621 61.300 -0.095 0.000 1.458 123 I CB 0.076 38.042 38.000 -0.058 0.000 1.105 123 I HN 0.710 nan 8.210 nan 0.000 0.445 124 N N -1.467 117.139 118.700 -0.157 0.000 3.116 124 N HA 0.095 4.835 4.740 -0.000 0.000 0.244 124 N C -0.097 175.278 175.510 -0.225 0.000 1.485 124 N CA -0.738 52.226 53.050 -0.144 0.000 0.884 124 N CB 1.720 40.172 38.487 -0.058 0.000 1.415 124 N HN -0.300 nan 8.380 nan 0.000 0.524 125 L N 0.342 121.429 121.223 -0.226 0.000 2.191 125 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 125 L C 1.788 178.590 176.870 -0.113 0.000 1.103 125 L CA 1.481 56.234 54.840 -0.145 0.000 0.769 125 L CB -1.374 40.508 42.059 -0.296 0.000 0.908 125 L HN 0.561 nan 8.230 nan 0.000 0.438 126 Y N -0.485 119.808 120.300 -0.012 0.000 2.403 126 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 126 Y C 2.352 178.262 175.900 0.016 0.000 1.143 126 Y CA 0.767 58.875 58.100 0.015 0.000 1.257 126 Y CB -0.719 37.735 38.460 -0.010 0.000 0.984 126 Y HN 0.267 nan 8.280 nan 0.000 0.550 127 D N -0.743 119.671 120.400 0.023 0.000 2.149 127 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 127 D C 1.920 178.231 176.300 0.018 0.000 0.972 127 D CA 1.121 55.102 54.000 -0.031 0.000 0.835 127 D CB -0.394 40.266 40.800 -0.233 0.000 0.966 127 D HN 0.251 nan 8.370 nan 0.000 0.476 128 F N 1.854 121.889 119.950 0.142 0.000 2.134 128 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 128 F C 2.446 178.287 175.800 0.068 0.000 1.097 128 F CA 0.696 58.785 58.000 0.149 0.000 1.264 128 F CB -0.702 38.400 39.000 0.171 0.000 1.001 128 F HN -0.059 nan 8.300 nan 0.000 0.479 129 E N -0.722 119.619 120.200 0.235 0.000 2.049 129 E HA -0.303 4.047 4.350 -0.000 0.000 0.198 129 E C 2.136 178.655 176.600 -0.136 0.000 1.007 129 E CA 1.884 58.233 56.400 -0.086 0.000 0.809 129 E CB -0.686 29.080 29.700 0.111 0.000 0.749 129 E HN 0.468 nan 8.360 nan 0.000 0.450 130 Y N 1.342 121.606 120.300 -0.061 0.000 2.128 130 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 130 Y C 2.072 177.881 175.900 -0.151 0.000 1.154 130 Y CA 1.202 59.235 58.100 -0.111 0.000 1.149 130 Y CB -0.337 38.089 38.460 -0.057 0.000 0.976 130 Y HN -0.021 nan 8.280 nan 0.000 0.505 131 L N 0.070 121.105 121.223 -0.314 0.000 2.093 131 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 131 L C 2.678 179.343 176.870 -0.341 0.000 1.085 131 L CA 1.903 56.541 54.840 -0.337 0.000 0.755 131 L CB -1.927 40.109 42.059 -0.039 0.000 0.904 131 L HN 0.371 nan 8.230 nan 0.000 0.435 132 A N -0.843 121.826 122.820 -0.250 0.000 1.929 132 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 132 A C 2.483 179.770 177.584 -0.494 0.000 1.176 132 A CA 1.551 53.474 52.037 -0.189 0.000 0.628 132 A CB -0.699 18.338 19.000 0.061 0.000 0.816 132 A HN 0.522 nan 8.150 nan 0.000 0.444 133 S N -0.695 114.429 115.700 -0.960 0.000 2.419 133 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 133 S C 1.753 175.809 174.600 -0.906 0.000 1.016 133 S CA 1.408 58.646 58.200 -1.603 0.000 0.974 133 S CB -0.323 61.989 63.200 -1.479 0.000 0.786 133 S HN 0.553 nan 8.310 nan 0.000 0.492 134 Q N 1.046 120.438 119.800 -0.680 0.000 2.269 134 Q HA 0.058 4.398 4.340 -0.000 0.000 0.201 134 Q C 2.201 178.010 176.000 -0.318 0.000 0.946 134 Q CA 1.759 57.279 55.803 -0.473 0.000 0.877 134 Q CB -0.473 27.967 28.738 -0.497 0.000 0.963 134 Q HN 0.929 nan 8.270 nan 0.000 0.472 135 T N -3.256 111.131 114.554 -0.278 0.000 2.985 135 T HA 0.305 4.655 4.350 -0.000 0.000 0.254 135 T C 0.946 175.574 174.700 -0.121 0.000 1.021 135 T CA -0.217 61.778 62.100 -0.174 0.000 0.957 135 T CB 0.115 68.891 68.868 -0.153 0.000 1.047 135 T HN -0.072 nan 8.240 nan 0.000 0.511 136 L N 2.287 123.445 121.223 -0.110 0.000 2.417 136 L HA 0.321 4.661 4.340 -0.000 0.000 0.268 136 L C 0.808 177.666 176.870 -0.019 0.000 1.158 136 L CA -0.622 54.215 54.840 -0.005 0.000 0.819 136 L CB 0.543 42.683 42.059 0.136 0.000 1.112 136 L HN 0.056 nan 8.230 nan 0.000 0.458 137 T N 2.445 116.995 114.554 -0.006 0.000 2.849 137 T HA -0.079 4.270 4.350 -0.000 0.000 0.289 137 T C 1.312 176.018 174.700 0.010 0.000 1.010 137 T CA 0.283 62.370 62.100 -0.021 0.000 1.161 137 T CB 0.201 69.046 68.868 -0.039 0.000 0.989 137 T HN 0.561 nan 8.240 nan 0.000 0.523 138 K N 2.739 123.141 120.400 0.003 0.000 2.097 138 K HA -0.307 4.013 4.320 -0.000 0.000 0.214 138 K C 2.289 178.898 176.600 0.014 0.000 1.052 138 K CA 2.194 58.503 56.287 0.036 0.000 0.932 138 K CB -0.109 32.386 32.500 -0.007 0.000 0.716 138 K HN 0.569 nan 8.250 nan 0.000 0.455 139 Q N 0.837 120.592 119.800 -0.074 0.000 2.061 139 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 139 Q C 1.797 177.750 176.000 -0.079 0.000 0.984 139 Q CA 2.302 58.043 55.803 -0.102 0.000 0.846 139 Q CB -0.412 28.200 28.738 -0.210 0.000 0.902 139 Q HN 0.304 nan 8.270 nan 0.000 0.421 140 A N -0.189 122.557 122.820 -0.123 0.000 1.968 140 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 140 A C 2.028 179.533 177.584 -0.131 0.000 1.169 140 A CA 0.987 52.845 52.037 -0.298 0.000 0.638 140 A CB -1.289 17.530 19.000 -0.301 0.000 0.812 140 A HN 0.754 nan 8.150 nan 0.000 0.446 141 W N 0.610 121.855 121.300 -0.092 0.000 2.418 141 W HA -0.090 4.570 4.660 -0.000 0.000 0.292 141 W C 2.141 178.684 176.519 0.040 0.000 1.213 141 W CA 1.269 58.628 57.345 0.025 0.000 1.283 141 W CB 0.005 29.470 29.460 0.007 0.000 1.119 141 W HN 0.413 nan 8.180 nan 0.000 0.542 142 A N -0.313 122.505 122.820 -0.003 0.000 1.898 142 A HA -0.250 4.069 4.320 -0.000 0.000 0.216 142 A C 1.738 179.238 177.584 -0.139 0.000 1.181 142 A CA 1.501 53.470 52.037 -0.114 0.000 0.620 142 A CB -1.599 17.384 19.000 -0.028 0.000 0.819 142 A HN 0.480 nan 8.150 nan 0.000 0.442 143 Y N -0.704 119.485 120.300 -0.185 0.000 2.114 143 Y HA -0.266 4.283 4.550 -0.000 0.000 0.284 143 Y C 2.275 178.131 175.900 -0.073 0.000 1.143 143 Y CA 2.153 60.160 58.100 -0.156 0.000 1.135 143 Y CB -0.400 37.928 38.460 -0.221 0.000 0.980 143 Y HN 0.389 nan 8.280 nan 0.000 0.499 144 Y N -0.499 119.778 120.300 -0.039 0.000 2.220 144 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 144 Y C 2.878 178.597 175.900 -0.301 0.000 1.129 144 Y CA 1.108 59.126 58.100 -0.136 0.000 1.161 144 Y CB -1.405 37.069 38.460 0.024 0.000 0.997 144 Y HN 0.261 nan 8.280 nan 0.000 0.522 145 S N -0.479 115.024 115.700 -0.328 0.000 2.603 145 S HA 0.067 4.537 4.470 -0.000 0.000 0.220 145 S C 0.763 175.119 174.600 -0.406 0.000 0.967 145 S CA -0.043 57.854 58.200 -0.505 0.000 0.920 145 S CB -0.791 61.649 63.200 -1.266 0.000 0.773 145 S HN 0.265 nan 8.310 nan 0.000 0.529 146 S N 0.157 115.644 115.700 -0.355 0.000 2.654 146 S HA 0.818 5.288 4.470 -0.000 0.000 0.283 146 S C 0.294 174.704 174.600 -0.315 0.000 1.180 146 S CA -0.426 57.601 58.200 -0.288 0.000 1.021 146 S CB 1.277 64.343 63.200 -0.222 0.000 1.018 146 S HN 0.474 nan 8.310 nan 0.000 0.532 147 G N -0.356 108.311 108.800 -0.221 0.000 2.735 147 G HA2 0.690 4.650 3.960 -0.000 0.000 0.301 147 G HA3 0.690 4.650 3.960 -0.000 0.000 0.301 147 G C -0.488 174.349 174.900 -0.104 0.000 1.279 147 G CA -0.898 44.096 45.100 -0.176 0.000 1.019 147 G HN 1.134 nan 8.290 nan 0.000 0.497 148 A N -0.248 122.526 122.820 -0.076 0.000 2.440 148 A HA 0.484 4.804 4.320 -0.000 0.000 0.251 148 A C 1.042 178.611 177.584 -0.025 0.000 1.089 148 A CA 0.666 52.671 52.037 -0.054 0.000 0.779 148 A CB -0.581 18.392 19.000 -0.045 0.000 1.022 148 A HN 1.037 nan 8.150 nan 0.000 0.492 149 N N 0.872 119.568 118.700 -0.007 0.000 1.414 149 N HA -0.258 4.482 4.740 -0.000 0.000 0.142 149 N C 0.240 175.763 175.510 0.022 0.000 0.587 149 N CA 2.208 55.270 53.050 0.020 0.000 1.068 149 N CB -0.684 37.828 38.487 0.041 0.000 1.317 149 N HN 0.782 nan 8.380 nan 0.000 0.463 150 D N 1.680 122.096 120.400 0.027 0.000 2.339 150 D HA 0.043 4.683 4.640 -0.000 0.000 0.217 150 D C -0.093 176.204 176.300 -0.006 0.000 1.050 150 D CA 0.525 54.540 54.000 0.026 0.000 0.856 150 D CB 0.000 40.836 40.800 0.060 0.000 0.922 150 D HN 0.460 nan 8.370 nan 0.000 0.518 151 E N -0.662 119.525 120.200 -0.022 0.000 3.170 151 E HA -0.211 4.139 4.350 -0.000 0.000 0.284 151 E C 1.475 178.037 176.600 -0.064 0.000 0.967 151 E CA 0.418 56.820 56.400 0.003 0.000 0.919 151 E CB -1.763 27.983 29.700 0.078 0.000 1.469 151 E HN 0.292 nan 8.360 nan 0.000 0.444 152 V N -2.433 117.361 119.914 -0.200 0.000 2.809 152 V HA -0.162 3.957 4.120 -0.000 0.000 0.256 152 V C 1.890 177.816 176.094 -0.280 0.000 1.080 152 V CA 2.277 64.404 62.300 -0.288 0.000 1.102 152 V CB -0.069 31.437 31.823 -0.527 0.000 0.705 152 V HN 0.266 nan 8.190 nan 0.000 0.475 153 T N 0.070 114.479 114.554 -0.242 0.000 2.851 153 T HA -0.072 4.278 4.350 -0.000 0.000 0.262 153 T C 1.738 176.426 174.700 -0.021 0.000 1.043 153 T CA 1.745 63.761 62.100 -0.140 0.000 1.140 153 T CB -0.431 68.374 68.868 -0.105 0.000 0.872 153 T HN 0.841 nan 8.240 nan 0.000 0.446 154 H N 1.786 120.811 119.070 -0.076 0.000 2.353 154 H HA -0.013 4.543 4.556 -0.000 0.000 0.298 154 H C 2.284 177.606 175.328 -0.010 0.000 1.103 154 H CA 1.766 57.793 56.048 -0.034 0.000 1.293 154 H CB -0.052 29.685 29.762 -0.042 0.000 1.372 154 H HN 0.210 nan 8.280 nan 0.000 0.501 155 R N -0.554 119.799 120.500 -0.245 0.000 2.093 155 R HA -0.051 4.289 4.340 -0.000 0.000 0.224 155 R C 2.259 178.492 176.300 -0.111 0.000 1.101 155 R CA 1.087 57.039 56.100 -0.247 0.000 0.979 155 R CB -0.042 30.152 30.300 -0.177 0.000 0.877 155 R HN 0.323 nan 8.270 nan 0.000 0.441 156 E N 1.315 121.456 120.200 -0.099 0.000 2.209 156 E HA -0.174 4.175 4.350 -0.000 0.000 0.196 156 E C 1.092 177.653 176.600 -0.064 0.000 0.993 156 E CA 1.532 57.882 56.400 -0.083 0.000 0.819 156 E CB -0.257 29.386 29.700 -0.096 0.000 0.745 156 E HN 0.324 nan 8.360 nan 0.000 0.477 157 N N -1.357 117.330 118.700 -0.022 0.000 2.166 157 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 157 N C 1.569 177.135 175.510 0.093 0.000 1.019 157 N CA 1.169 54.235 53.050 0.027 0.000 0.856 157 N CB -0.191 38.353 38.487 0.094 0.000 0.993 157 N HN 0.271 nan 8.380 nan 0.000 0.426 158 H N 0.559 119.636 119.070 0.011 0.000 2.431 158 H HA 0.182 4.738 4.556 -0.000 0.000 0.295 158 H C 1.137 176.445 175.328 -0.034 0.000 1.038 158 H CA 1.263 57.364 56.048 0.090 0.000 1.360 158 H CB 0.063 29.826 29.762 0.001 0.000 1.433 158 H HN 0.146 nan 8.280 nan 0.000 0.536 159 N N -0.077 118.477 118.700 -0.242 0.000 2.494 159 N HA 0.032 4.772 4.740 -0.000 0.000 0.182 159 N C 1.670 177.029 175.510 -0.252 0.000 1.076 159 N CA 0.567 53.381 53.050 -0.393 0.000 0.908 159 N CB 0.144 38.507 38.487 -0.207 0.000 0.967 159 N HN 0.403 nan 8.380 nan 0.000 0.449 160 A N 0.028 122.718 122.820 -0.218 0.000 2.067 160 A HA -0.124 4.195 4.320 -0.000 0.000 0.219 160 A C 1.390 178.819 177.584 -0.257 0.000 1.158 160 A CA 0.882 52.788 52.037 -0.217 0.000 0.661 160 A CB -0.625 18.219 19.000 -0.260 0.000 0.801 160 A HN 0.280 nan 8.150 nan 0.000 0.452 161 Y N -0.218 120.021 120.300 -0.102 0.000 2.165 161 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 161 Y C 2.297 178.218 175.900 0.035 0.000 1.155 161 Y CA 1.943 60.022 58.100 -0.036 0.000 1.164 161 Y CB -0.509 37.935 38.460 -0.027 0.000 0.978 161 Y HN 0.465 nan 8.280 nan 0.000 0.513 162 H N -0.668 118.363 119.070 -0.065 0.000 2.563 162 H HA 0.082 4.638 4.556 -0.000 0.000 0.272 162 H C 1.389 176.721 175.328 0.006 0.000 1.005 162 H CA 0.415 56.412 56.048 -0.084 0.000 1.171 162 H CB -0.187 29.521 29.762 -0.090 0.000 1.351 162 H HN 0.241 nan 8.280 nan 0.000 0.602 163 R N 0.119 120.686 120.500 0.111 0.000 2.356 163 R HA 0.260 4.600 4.340 -0.000 0.000 0.234 163 R C -0.303 176.069 176.300 0.121 0.000 0.929 163 R CA 0.101 56.268 56.100 0.111 0.000 1.084 163 R CB 0.493 30.815 30.300 0.037 0.000 1.105 163 R HN 0.162 nan 8.270 nan 0.000 0.515 164 I N 0.472 121.089 120.570 0.078 0.000 2.498 164 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 164 I C -0.695 175.358 176.117 -0.107 0.000 1.032 164 I CA -0.793 60.524 61.300 0.028 0.000 1.073 164 I CB 1.629 39.603 38.000 -0.044 0.000 1.251 164 I HN -0.194 nan 8.210 nan 0.000 0.426 165 F N 4.386 124.215 119.950 -0.202 0.000 2.572 165 F HA 0.605 5.132 4.527 -0.000 0.000 0.342 165 F C -0.229 175.428 175.800 -0.239 0.000 1.064 165 F CA -0.475 57.382 58.000 -0.238 0.000 1.008 165 F CB 1.343 40.288 39.000 -0.091 0.000 1.303 165 F HN 0.095 nan 8.300 nan 0.000 0.492 166 F N 0.330 120.359 119.950 0.132 0.000 2.483 166 F HA 0.502 5.029 4.527 -0.000 0.000 0.329 166 F C -0.030 175.828 175.800 0.096 0.000 1.064 166 F CA -1.235 56.812 58.000 0.079 0.000 0.986 166 F CB 1.463 40.481 39.000 0.030 0.000 1.218 166 F HN 0.107 nan 8.300 nan 0.000 0.484 167 K N 2.431 123.025 120.400 0.322 0.000 2.762 167 K HA 0.308 4.628 4.320 -0.000 0.000 0.180 167 K C -2.641 174.025 176.600 0.112 0.000 1.067 167 K CA -1.566 54.829 56.287 0.179 0.000 0.973 167 K CB 0.784 33.368 32.500 0.139 0.000 1.290 167 K HN 0.248 nan 8.250 nan 0.000 0.604 168 P HA -0.007 nan 4.420 nan 0.000 0.270 168 P C -0.729 176.579 177.300 0.013 0.000 1.223 168 P CA -0.135 62.972 63.100 0.013 0.000 0.785 168 P CB 0.616 32.313 31.700 -0.004 0.000 0.923 169 K N 1.619 122.015 120.400 -0.007 0.000 2.156 169 K HA 0.597 4.917 4.320 -0.000 0.000 0.254 169 K C -0.373 176.223 176.600 -0.005 0.000 0.950 169 K CA -0.805 55.482 56.287 -0.001 0.000 0.849 169 K CB 1.623 34.121 32.500 -0.004 0.000 1.100 169 K HN 0.302 nan 8.250 nan 0.000 0.434 170 I N 1.076 121.646 120.570 0.001 0.000 3.023 170 I HA 0.237 4.407 4.170 -0.000 0.000 0.312 170 I C 0.175 176.292 176.117 0.000 0.000 1.056 170 I CA -0.907 60.393 61.300 0.000 0.000 1.033 170 I CB 1.059 39.062 38.000 0.006 0.000 1.233 170 I HN 0.670 nan 8.210 nan 0.000 0.462 171 L N 3.284 124.506 121.223 -0.001 0.000 3.739 171 L HA -0.174 4.166 4.340 -0.000 0.000 0.442 171 L C -1.220 175.650 176.870 -0.001 0.000 1.241 171 L CA -0.023 54.817 54.840 0.000 0.000 0.819 171 L CB -1.559 40.501 42.059 0.002 0.000 1.679 171 L HN 0.215 nan 8.230 nan 0.000 0.889 172 V N -0.778 119.134 119.914 -0.003 0.000 2.628 172 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 172 V C 0.235 176.326 176.094 -0.005 0.000 1.045 172 V CA -0.567 61.731 62.300 -0.004 0.000 0.905 172 V CB 2.113 33.932 31.823 -0.006 0.000 0.997 172 V HN 0.177 nan 8.190 nan 0.000 0.436 173 D N 3.540 123.938 120.400 -0.003 0.000 2.359 173 D HA 0.187 4.827 4.640 -0.000 0.000 0.250 173 D C 0.225 176.523 176.300 -0.004 0.000 1.264 173 D CA -0.044 53.955 54.000 -0.003 0.000 0.911 173 D CB 1.070 41.870 40.800 -0.001 0.000 1.056 173 D HN 0.397 nan 8.370 nan 0.000 0.499 174 V N 2.471 122.381 119.914 -0.006 0.000 2.622 174 V HA 0.423 4.543 4.120 -0.000 0.000 0.296 174 V C 1.429 177.519 176.094 -0.006 0.000 1.174 174 V CA -0.708 61.587 62.300 -0.008 0.000 1.391 174 V CB 0.373 32.187 31.823 -0.014 0.000 1.553 174 V HN 0.267 nan 8.190 nan 0.000 0.581 175 R N 1.365 121.863 120.500 -0.003 0.000 2.055 175 R HA 0.202 4.542 4.340 -0.000 0.000 0.226 175 R C 0.702 177.002 176.300 0.000 0.000 1.135 175 R CA 1.163 57.263 56.100 -0.001 0.000 0.959 175 R CB 0.235 30.535 30.300 0.000 0.000 0.854 175 R HN 0.450 nan 8.270 nan 0.000 0.431 176 K N 0.383 120.784 120.400 0.001 0.000 2.244 176 K HA 0.332 4.652 4.320 -0.000 0.000 0.260 176 K C -1.399 175.203 176.600 0.003 0.000 0.951 176 K CA -0.631 55.658 56.287 0.004 0.000 0.826 176 K CB 2.226 34.730 32.500 0.005 0.000 1.108 176 K HN -0.038 nan 8.250 nan 0.000 0.433 177 V N 1.504 121.420 119.914 0.004 0.000 2.769 177 V HA 0.390 4.510 4.120 -0.000 0.000 0.312 177 V C -1.523 174.576 176.094 0.009 0.000 1.061 177 V CA -0.675 61.627 62.300 0.003 0.000 0.931 177 V CB 2.127 33.949 31.823 -0.001 0.000 1.010 177 V HN 0.846 nan 8.190 nan 0.000 0.433 178 D N 3.829 124.236 120.400 0.011 0.000 2.473 178 D HA 0.322 4.962 4.640 -0.000 0.000 0.253 178 D C 0.547 176.853 176.300 0.011 0.000 1.233 178 D CA -0.384 53.626 54.000 0.016 0.000 0.908 178 D CB 1.184 41.999 40.800 0.025 0.000 1.170 178 D HN 0.529 nan 8.370 nan 0.000 0.558 179 I N 1.192 121.765 120.570 0.005 0.000 3.680 179 I HA 0.207 4.377 4.170 -0.000 0.000 0.306 179 I C 0.547 176.641 176.117 -0.039 0.000 1.260 179 I CA -0.458 60.840 61.300 -0.003 0.000 1.201 179 I CB -0.483 37.524 38.000 0.011 0.000 1.009 179 I HN 0.197 nan 8.210 nan 0.000 0.467 180 S N -0.181 115.486 115.700 -0.055 0.000 2.645 180 S HA 0.705 5.174 4.470 -0.000 0.000 0.266 180 S C 0.227 174.720 174.600 -0.178 0.000 1.258 180 S CA 0.033 58.136 58.200 -0.163 0.000 0.990 180 S CB 1.811 64.907 63.200 -0.173 0.000 0.967 180 S HN 0.439 nan 8.310 nan 0.000 0.556 181 T N -0.872 113.506 114.554 -0.293 0.000 2.658 181 T HA 0.371 4.721 4.350 -0.000 0.000 0.306 181 T C -2.532 172.101 174.700 -0.112 0.000 1.544 181 T CA -0.762 61.263 62.100 -0.125 0.000 0.991 181 T CB 1.148 69.997 68.868 -0.031 0.000 1.774 181 T HN 0.718 nan 8.240 nan 0.000 0.479 182 D N 1.801 122.213 120.400 0.020 0.000 2.629 182 D HA 0.533 5.173 4.640 -0.000 0.000 0.250 182 D C -0.876 175.501 176.300 0.128 0.000 1.126 182 D CA -0.288 53.761 54.000 0.082 0.000 0.852 182 D CB 1.836 42.699 40.800 0.104 0.000 1.335 182 D HN 0.458 nan 8.370 nan 0.000 0.518 183 M N 1.919 121.642 119.600 0.205 0.000 2.259 183 M HA 0.212 4.692 4.480 -0.000 0.000 0.304 183 M C -0.402 176.097 176.300 0.332 0.000 1.019 183 M CA -0.823 54.684 55.300 0.344 0.000 0.922 183 M CB 2.258 35.200 32.600 0.569 0.000 1.600 183 M HN 0.193 nan 8.290 nan 0.000 0.433 184 L N 3.839 125.226 121.223 0.274 0.000 3.677 184 L HA -0.274 4.066 4.340 -0.000 0.000 0.464 184 L C 0.911 177.869 176.870 0.148 0.000 1.278 184 L CA 1.914 56.856 54.840 0.172 0.000 0.806 184 L CB -1.606 40.518 42.059 0.109 0.000 1.610 184 L HN 1.169 nan 8.230 nan 0.000 0.867 185 G N -2.121 106.753 108.800 0.123 0.000 2.708 185 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.229 185 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.229 185 G C 0.641 175.616 174.900 0.125 0.000 1.236 185 G CA 0.375 45.538 45.100 0.105 0.000 0.749 185 G HN 0.793 nan 8.290 nan 0.000 0.515 186 S N 1.273 117.068 115.700 0.159 0.000 2.624 186 S HA 0.517 4.986 4.470 -0.000 0.000 0.263 186 S C -0.013 174.687 174.600 0.167 0.000 1.287 186 S CA 0.027 58.315 58.200 0.145 0.000 0.990 186 S CB 1.009 64.289 63.200 0.133 0.000 0.950 186 S HN 0.720 nan 8.310 nan 0.000 0.561 187 H N 0.662 119.757 119.070 0.041 0.000 2.551 187 H HA 0.539 5.095 4.556 -0.000 0.000 0.321 187 H C -1.306 174.025 175.328 0.006 0.000 1.028 187 H CA -0.442 55.624 56.048 0.030 0.000 1.215 187 H CB 0.485 30.256 29.762 0.015 0.000 1.414 187 H HN 0.243 nan 8.280 nan 0.000 0.480 188 V N 4.748 124.502 119.914 -0.266 0.000 2.716 188 V HA 0.020 4.140 4.120 -0.000 0.000 0.304 188 V C 0.864 176.710 176.094 -0.414 0.000 1.053 188 V CA -0.460 61.688 62.300 -0.254 0.000 0.984 188 V CB 1.797 33.535 31.823 -0.141 0.000 1.021 188 V HN 0.836 nan 8.190 nan 0.000 0.467 189 D N 1.276 121.522 120.400 -0.256 0.000 2.269 189 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 189 D C 0.257 176.419 176.300 -0.230 0.000 0.963 189 D CA 1.087 54.966 54.000 -0.203 0.000 0.864 189 D CB 0.633 41.355 40.800 -0.129 0.000 0.936 189 D HN 0.210 nan 8.370 nan 0.000 0.505 190 V N 0.806 120.529 119.914 -0.318 0.000 3.102 190 V HA 0.270 4.390 4.120 -0.000 0.000 0.312 190 V C -2.178 173.720 176.094 -0.327 0.000 1.135 190 V CA -1.800 60.250 62.300 -0.417 0.000 1.022 190 V CB 3.077 34.439 31.823 -0.768 0.000 1.056 190 V HN -0.180 nan 8.190 nan 0.000 0.436 191 P HA 0.211 nan 4.420 nan 0.000 0.259 191 P C -0.768 176.638 177.300 0.176 0.000 1.530 191 P CA 0.140 63.261 63.100 0.035 0.000 1.022 191 P CB -0.402 31.350 31.700 0.086 0.000 1.514 192 F N -0.118 119.893 119.950 0.102 0.000 2.611 192 F HA 0.781 5.308 4.527 -0.000 0.000 0.324 192 F C -0.727 175.115 175.800 0.070 0.000 1.061 192 F CA -1.859 56.169 58.000 0.048 0.000 0.954 192 F CB 0.811 39.819 39.000 0.013 0.000 1.301 192 F HN -0.155 nan 8.300 nan 0.000 0.482 193 Y N -1.435 119.050 120.300 0.307 0.000 2.689 193 Y HA 0.773 5.323 4.550 -0.000 0.000 0.333 193 Y C -1.923 174.000 175.900 0.038 0.000 1.190 193 Y CA -2.211 55.919 58.100 0.051 0.000 1.063 193 Y CB 0.794 39.236 38.460 -0.029 0.000 1.294 193 Y HN 0.517 nan 8.280 nan 0.000 0.466 194 V N 2.291 122.236 119.914 0.051 0.000 2.364 194 V HA 0.340 4.460 4.120 -0.000 0.000 0.272 194 V C 0.339 176.513 176.094 0.132 0.000 1.036 194 V CA -0.334 61.941 62.300 -0.041 0.000 0.880 194 V CB 0.620 32.265 31.823 -0.297 0.000 0.991 194 V HN 0.837 nan 8.190 nan 0.000 0.460 195 S N 3.784 119.546 115.700 0.104 0.000 2.603 195 S HA 0.593 5.063 4.470 -0.000 0.000 0.268 195 S C 0.543 175.108 174.600 -0.058 0.000 1.317 195 S CA -0.198 58.044 58.200 0.070 0.000 1.012 195 S CB 0.894 64.105 63.200 0.019 0.000 0.926 195 S HN 1.059 nan 8.310 nan 0.000 0.539 196 A N 3.129 125.869 122.820 -0.133 0.000 2.451 196 A HA 0.474 4.794 4.320 -0.000 0.000 0.266 196 A C 0.562 178.063 177.584 -0.139 0.000 1.119 196 A CA -0.178 51.764 52.037 -0.159 0.000 0.786 196 A CB -0.524 18.341 19.000 -0.225 0.000 1.061 196 A HN 0.852 nan 8.150 nan 0.000 0.503 197 T N 0.460 114.949 114.554 -0.109 0.000 2.855 197 T HA 0.738 5.088 4.350 -0.000 0.000 0.281 197 T C 0.181 174.876 174.700 -0.008 0.000 1.007 197 T CA -0.113 61.937 62.100 -0.083 0.000 1.009 197 T CB 1.615 70.392 68.868 -0.151 0.000 0.983 197 T HN 1.264 nan 8.240 nan 0.000 0.455 198 A N 3.381 126.255 122.820 0.091 0.000 2.280 198 A HA 0.619 4.939 4.320 -0.000 0.000 0.268 198 A C 1.056 178.735 177.584 0.158 0.000 1.111 198 A CA -0.981 51.133 52.037 0.129 0.000 0.814 198 A CB -0.500 18.624 19.000 0.207 0.000 1.093 198 A HN 1.361 nan 8.150 nan 0.000 0.498 199 L N -0.806 120.452 121.223 0.059 0.000 4.054 199 L HA -0.285 4.055 4.340 -0.000 0.000 0.475 199 L C 1.208 178.153 176.870 0.125 0.000 1.166 199 L CA -0.102 54.741 54.840 0.005 0.000 0.688 199 L CB -2.211 39.740 42.059 -0.180 0.000 1.512 199 L HN 0.783 nan 8.230 nan 0.000 0.799 200 C N -0.514 118.836 119.300 0.084 0.000 2.419 200 C HA -0.146 4.314 4.460 -0.000 0.000 0.283 200 C C 2.497 177.556 174.990 0.115 0.000 1.373 200 C CA 1.046 60.122 59.018 0.096 0.000 1.781 200 C CB -0.618 27.124 27.740 0.004 0.000 1.886 200 C HN 0.611 nan 8.230 nan 0.000 0.520 201 K N 0.507 120.934 120.400 0.046 0.000 2.442 201 K HA -0.022 4.298 4.320 -0.000 0.000 0.198 201 K C 1.660 178.278 176.600 0.030 0.000 1.042 201 K CA 0.693 56.994 56.287 0.023 0.000 0.958 201 K CB -0.136 32.349 32.500 -0.025 0.000 0.766 201 K HN 0.540 nan 8.250 nan 0.000 0.474 202 L N -0.732 120.512 121.223 0.035 0.000 2.046 202 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 202 L C 2.279 179.178 176.870 0.048 0.000 1.077 202 L CA 1.567 56.383 54.840 -0.040 0.000 0.747 202 L CB -0.352 41.561 42.059 -0.244 0.000 0.896 202 L HN 0.304 nan 8.230 nan 0.000 0.432 203 G N -1.863 107.082 108.800 0.241 0.000 2.887 203 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.211 203 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.211 203 G C 0.437 175.430 174.900 0.153 0.000 1.152 203 G CA 0.010 45.281 45.100 0.285 0.000 0.769 203 G HN 0.253 nan 8.290 nan 0.000 0.541 204 N N -0.009 118.755 118.700 0.107 0.000 2.722 204 N HA 0.216 4.955 4.740 -0.000 0.000 0.242 204 N C -1.867 173.666 175.510 0.038 0.000 1.398 204 N CA -1.587 51.499 53.050 0.059 0.000 0.755 204 N CB 1.852 40.368 38.487 0.047 0.000 1.268 204 N HN -0.116 nan 8.380 nan 0.000 0.522 205 P HA -0.140 nan 4.420 nan 0.000 0.218 205 P C 1.243 178.550 177.300 0.011 0.000 1.148 205 P CA 0.660 63.769 63.100 0.014 0.000 0.822 205 P CB 0.699 32.406 31.700 0.011 0.000 0.784 206 L N -0.283 120.948 121.223 0.013 0.000 2.127 206 L HA 0.027 4.366 4.340 -0.000 0.000 0.203 206 L C 2.344 179.220 176.870 0.010 0.000 1.080 206 L CA 1.775 56.622 54.840 0.012 0.000 0.768 206 L CB -1.534 40.533 42.059 0.012 0.000 0.924 206 L HN -0.035 nan 8.230 nan 0.000 0.444 207 E N -1.377 118.829 120.200 0.011 0.000 2.434 207 E HA 0.216 4.566 4.350 -0.000 0.000 0.207 207 E C 1.521 178.124 176.600 0.005 0.000 0.929 207 E CA 0.695 57.100 56.400 0.008 0.000 1.001 207 E CB 0.524 30.229 29.700 0.007 0.000 1.016 207 E HN 0.258 nan 8.360 nan 0.000 0.502 208 G N 2.528 111.333 108.800 0.009 0.000 2.672 208 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.332 208 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.332 208 G C 1.017 175.914 174.900 -0.005 0.000 1.213 208 G CA 1.241 46.346 45.100 0.008 0.000 0.980 208 G HN 0.321 nan 8.290 nan 0.000 0.548 209 E N 0.736 120.930 120.200 -0.010 0.000 2.299 209 E HA 0.174 4.524 4.350 -0.000 0.000 0.193 209 E C 2.456 179.043 176.600 -0.022 0.000 0.998 209 E CA 1.075 57.462 56.400 -0.022 0.000 0.851 209 E CB -0.024 29.665 29.700 -0.017 0.000 0.795 209 E HN 0.590 nan 8.360 nan 0.000 0.492 210 K N 0.477 120.869 120.400 -0.012 0.000 2.209 210 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 210 K C 1.002 177.591 176.600 -0.018 0.000 1.048 210 K CA 1.169 57.449 56.287 -0.012 0.000 0.940 210 K CB 0.083 32.581 32.500 -0.004 0.000 0.729 210 K HN 0.049 nan 8.250 nan 0.000 0.451 211 D N -0.094 120.297 120.400 -0.015 0.000 2.277 211 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 211 D C 1.660 177.940 176.300 -0.034 0.000 0.962 211 D CA 0.503 54.493 54.000 -0.016 0.000 0.865 211 D CB 0.258 41.056 40.800 -0.004 0.000 0.939 211 D HN 0.041 nan 8.370 nan 0.000 0.510 212 V N -0.172 119.713 119.914 -0.049 0.000 2.788 212 V HA 0.074 4.194 4.120 -0.000 0.000 0.251 212 V C 1.991 178.030 176.094 -0.093 0.000 1.068 212 V CA 1.517 63.770 62.300 -0.079 0.000 1.090 212 V CB -0.086 31.681 31.823 -0.093 0.000 0.710 212 V HN 0.079 nan 8.190 nan 0.000 0.467 213 A N 1.033 123.810 122.820 -0.072 0.000 1.883 213 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 213 A C 2.365 179.907 177.584 -0.069 0.000 1.186 213 A CA 2.041 54.034 52.037 -0.074 0.000 0.624 213 A CB -0.582 18.388 19.000 -0.050 0.000 0.822 213 A HN 0.615 nan 8.150 nan 0.000 0.444 214 R N -1.147 119.323 120.500 -0.050 0.000 2.061 214 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 214 R C 2.460 178.733 176.300 -0.045 0.000 1.140 214 R CA 1.240 57.316 56.100 -0.040 0.000 0.940 214 R CB -0.869 29.418 30.300 -0.023 0.000 0.839 214 R HN 0.512 nan 8.270 nan 0.000 0.429 215 G N 0.481 109.253 108.800 -0.046 0.000 2.462 215 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 215 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 215 G C 1.363 176.221 174.900 -0.069 0.000 1.121 215 G CA 0.752 45.826 45.100 -0.044 0.000 0.758 215 G HN 0.346 nan 8.290 nan 0.000 0.559 216 C N 0.034 119.269 119.300 -0.108 0.000 2.456 216 C HA 0.302 4.762 4.460 -0.000 0.000 0.279 216 C C 2.696 177.617 174.990 -0.114 0.000 1.427 216 C CA 0.732 59.664 59.018 -0.143 0.000 1.778 216 C CB -0.522 27.102 27.740 -0.193 0.000 1.842 216 C HN 0.524 nan 8.230 nan 0.000 0.531 217 G N -0.472 108.277 108.800 -0.085 0.000 2.801 217 G HA2 0.033 3.993 3.960 -0.000 0.000 0.213 217 G HA3 0.033 3.993 3.960 -0.000 0.000 0.213 217 G C 1.388 176.258 174.900 -0.050 0.000 1.052 217 G CA 0.303 45.358 45.100 -0.074 0.000 0.868 217 G HN 0.638 nan 8.290 nan 0.000 0.589 218 Q N 0.437 120.214 119.800 -0.039 0.000 2.369 218 Q HA 0.196 4.536 4.340 -0.000 0.000 0.206 218 Q C 1.287 177.275 176.000 -0.020 0.000 0.963 218 Q CA 0.892 56.680 55.803 -0.025 0.000 0.894 218 Q CB 0.041 28.768 28.738 -0.018 0.000 0.965 218 Q HN 0.264 nan 8.270 nan 0.000 0.475 219 G N 0.795 109.582 108.800 -0.021 0.000 2.583 219 G HA2 0.331 4.290 3.960 -0.000 0.000 0.280 219 G HA3 0.331 4.290 3.960 -0.000 0.000 0.280 219 G C 0.777 175.669 174.900 -0.013 0.000 1.376 219 G CA -0.018 45.076 45.100 -0.011 0.000 1.043 219 G HN 0.210 nan 8.290 nan 0.000 0.538 220 V N -3.074 116.836 119.914 -0.006 0.000 3.129 220 V HA 0.200 4.320 4.120 -0.000 0.000 0.259 220 V C 0.895 176.982 176.094 -0.012 0.000 1.116 220 V CA 1.008 63.304 62.300 -0.006 0.000 1.127 220 V CB -0.804 31.020 31.823 0.001 0.000 0.742 220 V HN 0.366 nan 8.190 nan 0.000 0.474 221 T N 1.907 116.451 114.554 -0.015 0.000 2.823 221 T HA 0.608 4.958 4.350 -0.000 0.000 0.279 221 T C -0.514 174.150 174.700 -0.060 0.000 0.998 221 T CA -0.454 61.625 62.100 -0.036 0.000 0.994 221 T CB 1.790 70.648 68.868 -0.017 0.000 0.960 221 T HN 0.453 nan 8.240 nan 0.000 0.448 222 K N 1.773 122.115 120.400 -0.098 0.000 2.378 222 K HA 0.716 5.036 4.320 -0.000 0.000 0.252 222 K C -1.239 175.243 176.600 -0.196 0.000 0.931 222 K CA -0.842 55.370 56.287 -0.124 0.000 0.794 222 K CB 2.446 34.882 32.500 -0.106 0.000 1.181 222 K HN 0.263 nan 8.250 nan 0.000 0.425 223 V N 3.461 123.244 119.914 -0.219 0.000 2.513 223 V HA 0.340 4.460 4.120 -0.000 0.000 0.299 223 V C -2.312 173.592 176.094 -0.317 0.000 1.035 223 V CA -2.431 59.695 62.300 -0.289 0.000 0.889 223 V CB 1.596 33.270 31.823 -0.249 0.000 0.988 223 V HN 0.643 nan 8.190 nan 0.000 0.440 224 P HA 0.074 nan 4.420 nan 0.000 0.265 224 P C -0.905 176.081 177.300 -0.524 0.000 1.193 224 P CA 0.176 62.878 63.100 -0.663 0.000 0.765 224 P CB 0.339 31.337 31.700 -1.170 0.000 0.823 225 Q N 2.963 122.468 119.800 -0.490 0.000 2.333 225 Q HA 0.508 4.848 4.340 -0.000 0.000 0.267 225 Q C -1.118 174.744 176.000 -0.231 0.000 1.012 225 Q CA -0.842 54.784 55.803 -0.295 0.000 0.824 225 Q CB 1.171 29.778 28.738 -0.218 0.000 1.290 225 Q HN 0.391 nan 8.270 nan 0.000 0.449 226 M N 5.481 125.006 119.600 -0.125 0.000 2.113 226 M HA 0.407 4.887 4.480 -0.000 0.000 0.352 226 M C -1.395 174.826 176.300 -0.132 0.000 1.170 226 M CA -0.377 54.861 55.300 -0.103 0.000 1.053 226 M CB 0.585 33.061 32.600 -0.207 0.000 1.601 226 M HN 0.625 nan 8.290 nan 0.000 0.459 227 I N 3.079 123.576 120.570 -0.122 0.000 2.396 227 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 227 I C 0.322 176.251 176.117 -0.313 0.000 0.999 227 I CA -0.347 60.874 61.300 -0.132 0.000 1.310 227 I CB 1.816 39.833 38.000 0.028 0.000 1.404 227 I HN 0.632 nan 8.210 nan 0.000 0.496 228 S N 2.857 118.416 115.700 -0.234 0.000 2.562 228 S HA 0.131 4.601 4.470 -0.000 0.000 0.275 228 S C 1.220 175.675 174.600 -0.242 0.000 1.281 228 S CA -0.463 57.575 58.200 -0.270 0.000 1.045 228 S CB 1.157 64.287 63.200 -0.118 0.000 0.962 228 S HN 0.717 nan 8.310 nan 0.000 0.503 229 T N 4.134 118.536 114.554 -0.253 0.000 2.897 229 T HA -0.070 4.280 4.350 -0.000 0.000 0.271 229 T C 0.845 175.673 174.700 0.212 0.000 1.084 229 T CA 1.186 63.337 62.100 0.086 0.000 1.123 229 T CB -0.195 68.791 68.868 0.197 0.000 0.865 229 T HN 0.376 nan 8.240 nan 0.000 0.496 230 L N 0.900 122.216 121.223 0.155 0.000 2.984 230 L HA 0.493 4.833 4.340 -0.000 0.000 0.246 230 L C 0.691 177.586 176.870 0.041 0.000 1.268 230 L CA -0.418 54.487 54.840 0.108 0.000 1.054 230 L CB -0.837 41.290 42.059 0.113 0.000 1.393 230 L HN 0.037 nan 8.230 nan 0.000 0.532 231 A N -0.720 122.127 122.820 0.045 0.000 2.440 231 A HA 0.356 4.676 4.320 -0.000 0.000 0.251 231 A C 1.381 178.968 177.584 0.004 0.000 1.089 231 A CA 0.431 52.479 52.037 0.018 0.000 0.779 231 A CB 0.280 19.296 19.000 0.027 0.000 1.022 231 A HN 0.499 nan 8.150 nan 0.000 0.492 232 S N 0.257 115.940 115.700 -0.029 0.000 2.603 232 S HA 0.056 4.526 4.470 -0.000 0.000 0.229 232 S C 0.481 175.070 174.600 -0.018 0.000 0.972 232 S CA 0.120 58.285 58.200 -0.058 0.000 0.935 232 S CB -0.889 62.256 63.200 -0.092 0.000 0.769 232 S HN 0.611 nan 8.310 nan 0.000 0.536 233 C N 2.311 121.618 119.300 0.011 0.000 2.667 233 C HA 0.784 5.243 4.460 -0.000 0.000 0.323 233 C C 0.763 175.785 174.990 0.053 0.000 1.214 233 C CA -0.956 58.077 59.018 0.025 0.000 1.721 233 C CB 1.684 29.436 27.740 0.019 0.000 2.275 233 C HN 0.612 nan 8.230 nan 0.000 0.491 234 S N 2.612 118.346 115.700 0.056 0.000 2.585 234 S HA 0.228 4.698 4.470 -0.000 0.000 0.273 234 S C -1.523 173.125 174.600 0.079 0.000 1.339 234 S CA -0.554 57.691 58.200 0.075 0.000 1.028 234 S CB 0.483 63.716 63.200 0.055 0.000 0.906 234 S HN 0.704 nan 8.310 nan 0.000 0.528 235 P HA -0.181 nan 4.420 nan 0.000 0.218 235 P C 1.133 178.461 177.300 0.047 0.000 1.148 235 P CA 1.291 64.454 63.100 0.106 0.000 0.822 235 P CB 0.010 31.774 31.700 0.108 0.000 0.784 236 E N 1.393 121.608 120.200 0.025 0.000 2.012 236 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 236 E C 1.994 178.602 176.600 0.013 0.000 1.007 236 E CA 1.213 57.619 56.400 0.010 0.000 0.816 236 E CB -1.183 28.519 29.700 0.003 0.000 0.762 236 E HN 0.412 nan 8.360 nan 0.000 0.451 237 E N 0.675 120.885 120.200 0.017 0.000 2.136 237 E HA -0.201 4.149 4.350 -0.000 0.000 0.202 237 E C 2.313 178.919 176.600 0.010 0.000 1.019 237 E CA 1.367 57.775 56.400 0.013 0.000 0.819 237 E CB -0.327 29.383 29.700 0.017 0.000 0.739 237 E HN 0.310 nan 8.360 nan 0.000 0.458 238 I N 0.708 121.288 120.570 0.017 0.000 2.286 238 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 238 I C 2.327 178.444 176.117 0.000 0.000 1.104 238 I CA 0.546 61.851 61.300 0.009 0.000 1.397 238 I CB -0.170 37.842 38.000 0.020 0.000 1.072 238 I HN 0.103 nan 8.210 nan 0.000 0.417 239 I N 0.774 121.348 120.570 0.007 0.000 2.179 239 I HA -0.286 3.883 4.170 -0.000 0.000 0.242 239 I C 2.545 178.656 176.117 -0.009 0.000 1.088 239 I CA 1.671 62.969 61.300 -0.003 0.000 1.357 239 I CB -1.078 36.923 38.000 0.002 0.000 1.051 239 I HN 0.400 nan 8.210 nan 0.000 0.409 240 E N 1.171 121.367 120.200 -0.005 0.000 2.160 240 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 240 E C 2.200 178.795 176.600 -0.009 0.000 0.991 240 E CA 1.302 57.698 56.400 -0.007 0.000 0.810 240 E CB 0.093 29.791 29.700 -0.003 0.000 0.742 240 E HN 0.457 nan 8.360 nan 0.000 0.466 241 A N 1.043 123.858 122.820 -0.010 0.000 2.067 241 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 241 A C 1.322 178.894 177.584 -0.020 0.000 1.158 241 A CA 0.789 52.818 52.037 -0.013 0.000 0.661 241 A CB -0.416 18.576 19.000 -0.013 0.000 0.801 241 A HN 0.315 nan 8.150 nan 0.000 0.452 242 A N 1.071 123.876 122.820 -0.026 0.000 2.545 242 A HA 0.367 4.686 4.320 -0.000 0.000 0.253 242 A C -0.501 177.064 177.584 -0.031 0.000 1.074 242 A CA -0.333 51.682 52.037 -0.036 0.000 0.760 242 A CB 0.040 19.015 19.000 -0.042 0.000 1.005 242 A HN 0.371 nan 8.150 nan 0.000 0.506 243 P HA -0.014 nan 4.420 nan 0.000 0.225 243 P C 0.567 177.851 177.300 -0.026 0.000 1.156 243 P CA 0.833 63.918 63.100 -0.025 0.000 0.787 243 P CB 0.337 32.023 31.700 -0.024 0.000 0.802 244 S N -0.501 115.179 115.700 -0.034 0.000 2.532 244 S HA 0.293 4.763 4.470 -0.000 0.000 0.301 244 S C 0.317 174.897 174.600 -0.033 0.000 1.083 244 S CA -0.483 57.697 58.200 -0.032 0.000 1.025 244 S CB 1.364 64.541 63.200 -0.038 0.000 1.056 244 S HN -0.257 nan 8.310 nan 0.000 0.494 245 D N 1.788 122.173 120.400 -0.026 0.000 2.355 245 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 245 D C 0.993 177.278 176.300 -0.025 0.000 1.004 245 D CA 0.750 54.736 54.000 -0.023 0.000 0.880 245 D CB 0.265 41.054 40.800 -0.017 0.000 0.911 245 D HN 0.471 nan 8.370 nan 0.000 0.528 246 K N 0.060 120.442 120.400 -0.030 0.000 2.387 246 K HA 0.112 4.432 4.320 -0.000 0.000 0.203 246 K C -0.037 176.534 176.600 -0.048 0.000 1.030 246 K CA -0.165 56.105 56.287 -0.029 0.000 1.099 246 K CB 0.665 33.153 32.500 -0.020 0.000 0.863 246 K HN 0.296 nan 8.250 nan 0.000 0.529 247 Q N 0.596 120.355 119.800 -0.067 0.000 2.227 247 Q HA 0.402 4.742 4.340 -0.000 0.000 0.245 247 Q C -0.507 175.415 176.000 -0.130 0.000 0.926 247 Q CA -0.572 55.166 55.803 -0.109 0.000 0.895 247 Q CB 1.390 30.057 28.738 -0.117 0.000 1.230 247 Q HN -0.011 nan 8.270 nan 0.000 0.450 248 I N 1.720 122.166 120.570 -0.208 0.000 2.353 248 I HA 0.184 4.354 4.170 -0.000 0.000 0.293 248 I C -0.159 175.737 176.117 -0.368 0.000 0.992 248 I CA -0.347 60.790 61.300 -0.271 0.000 1.268 248 I CB 1.572 39.350 38.000 -0.370 0.000 1.387 248 I HN 0.586 nan 8.210 nan 0.000 0.478 249 Q N 4.963 124.618 119.800 -0.242 0.000 2.342 249 Q HA 0.465 4.805 4.340 -0.000 0.000 0.267 249 Q C -1.669 174.341 176.000 0.016 0.000 1.038 249 Q CA -0.721 54.982 55.803 -0.166 0.000 0.832 249 Q CB 2.687 31.396 28.738 -0.049 0.000 1.323 249 Q HN 0.445 nan 8.270 nan 0.000 0.448 250 W N 1.572 122.849 121.300 -0.037 0.000 2.819 250 W HA 0.344 5.004 4.660 -0.000 0.000 0.337 250 W C -1.026 175.519 176.519 0.044 0.000 1.077 250 W CA -1.158 56.191 57.345 0.006 0.000 1.226 250 W CB 1.027 30.417 29.460 -0.117 0.000 1.419 250 W HN 0.558 nan 8.180 nan 0.000 0.502 251 Y N 2.781 123.205 120.300 0.206 0.000 2.360 251 Y HA 0.329 4.879 4.550 -0.000 0.000 0.337 251 Y C 0.073 176.028 175.900 0.090 0.000 1.039 251 Y CA -0.409 57.749 58.100 0.097 0.000 1.109 251 Y CB 1.391 39.893 38.460 0.069 0.000 1.201 251 Y HN 0.273 nan 8.280 nan 0.000 0.458 252 Q N 5.965 125.468 119.800 -0.495 0.000 2.293 252 Q HA 0.417 4.757 4.340 -0.000 0.000 0.261 252 Q C -2.263 173.462 176.000 -0.458 0.000 0.960 252 Q CA -0.860 54.725 55.803 -0.364 0.000 0.882 252 Q CB 1.851 30.338 28.738 -0.418 0.000 1.275 252 Q HN 0.795 nan 8.270 nan 0.000 0.445 253 L N 4.489 125.590 121.223 -0.203 0.000 2.365 253 L HA 0.473 4.813 4.340 -0.000 0.000 0.273 253 L C -1.827 174.970 176.870 -0.121 0.000 1.000 253 L CA -0.491 54.326 54.840 -0.038 0.000 0.819 253 L CB 1.534 43.661 42.059 0.113 0.000 1.284 253 L HN 0.519 nan 8.230 nan 0.000 0.418 254 Y N 3.839 124.196 120.300 0.095 0.000 2.331 254 Y HA 0.510 5.060 4.550 -0.000 0.000 0.338 254 Y C 0.033 175.977 175.900 0.073 0.000 0.976 254 Y CA -0.689 57.465 58.100 0.089 0.000 1.137 254 Y CB 1.890 40.430 38.460 0.133 0.000 1.172 254 Y HN 0.413 nan 8.280 nan 0.000 0.478 255 V N 5.053 125.085 119.914 0.195 0.000 2.546 255 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 255 V C -0.149 175.983 176.094 0.064 0.000 1.050 255 V CA -0.526 61.837 62.300 0.104 0.000 0.981 255 V CB 0.990 32.849 31.823 0.062 0.000 0.990 255 V HN 0.943 nan 8.190 nan 0.000 0.474 256 N N 4.107 122.814 118.700 0.012 0.000 2.493 256 N HA 0.210 4.950 4.740 -0.000 0.000 0.275 256 N C 1.145 176.644 175.510 -0.018 0.000 1.186 256 N CA -0.035 52.984 53.050 -0.052 0.000 0.978 256 N CB 1.554 39.961 38.487 -0.134 0.000 1.184 256 N HN 0.782 nan 8.380 nan 0.000 0.487 257 S N 0.446 116.137 115.700 -0.015 0.000 2.402 257 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 257 S C 0.358 174.960 174.600 0.003 0.000 1.030 257 S CA 0.991 59.192 58.200 0.001 0.000 1.003 257 S CB -0.215 62.990 63.200 0.009 0.000 0.813 257 S HN 0.686 nan 8.310 nan 0.000 0.477 258 D N 1.339 121.738 120.400 -0.001 0.000 2.470 258 D HA 0.105 4.745 4.640 -0.000 0.000 0.226 258 D C 0.953 177.252 176.300 -0.001 0.000 1.196 258 D CA -0.300 53.703 54.000 0.005 0.000 0.979 258 D CB 0.147 40.955 40.800 0.014 0.000 1.059 258 D HN -0.083 nan 8.370 nan 0.000 0.515 259 R N 2.524 123.025 120.500 0.002 0.000 2.200 259 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 259 R C 1.742 178.041 176.300 -0.002 0.000 1.127 259 R CA 0.447 56.548 56.100 0.002 0.000 0.989 259 R CB -0.326 29.978 30.300 0.005 0.000 0.869 259 R HN 0.459 nan 8.270 nan 0.000 0.459 260 K N 0.821 121.217 120.400 -0.006 0.000 2.097 260 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 260 K C 2.078 178.664 176.600 -0.023 0.000 1.049 260 K CA 0.917 57.196 56.287 -0.013 0.000 0.933 260 K CB -0.044 32.447 32.500 -0.014 0.000 0.717 260 K HN 0.141 nan 8.250 nan 0.000 0.442 261 I N 0.406 120.960 120.570 -0.025 0.000 2.142 261 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 261 I C 2.165 178.271 176.117 -0.019 0.000 1.078 261 I CA 1.423 62.698 61.300 -0.042 0.000 1.343 261 I CB -0.502 37.481 38.000 -0.027 0.000 1.046 261 I HN 0.207 nan 8.210 nan 0.000 0.405 262 T N -0.189 114.367 114.554 0.003 0.000 2.720 262 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 262 T C 1.522 176.226 174.700 0.006 0.000 1.037 262 T CA 2.143 64.258 62.100 0.024 0.000 1.144 262 T CB -0.397 68.488 68.868 0.029 0.000 0.864 262 T HN 0.415 nan 8.240 nan 0.000 0.444 263 D N 0.394 120.790 120.400 -0.006 0.000 2.144 263 D HA -0.103 4.536 4.640 -0.000 0.000 0.200 263 D C 1.678 177.962 176.300 -0.027 0.000 0.978 263 D CA 0.892 54.884 54.000 -0.013 0.000 0.833 263 D CB -0.034 40.758 40.800 -0.012 0.000 0.961 263 D HN 0.198 nan 8.370 nan 0.000 0.470 264 D N -0.116 120.262 120.400 -0.036 0.000 2.144 264 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 264 D C 2.057 178.319 176.300 -0.063 0.000 0.978 264 D CA 0.259 54.229 54.000 -0.050 0.000 0.833 264 D CB -0.211 40.553 40.800 -0.061 0.000 0.961 264 D HN 0.272 nan 8.370 nan 0.000 0.470 265 L N 0.405 121.594 121.223 -0.056 0.000 2.056 265 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 265 L C 2.117 178.913 176.870 -0.123 0.000 1.078 265 L CA 0.882 55.675 54.840 -0.077 0.000 0.749 265 L CB -0.032 42.027 42.059 -0.000 0.000 0.901 265 L HN -0.048 nan 8.230 nan 0.000 0.433 266 V N -0.101 119.771 119.914 -0.070 0.000 2.427 266 V HA -0.278 3.841 4.120 -0.000 0.000 0.248 266 V C 2.439 178.481 176.094 -0.086 0.000 1.051 266 V CA 1.614 63.869 62.300 -0.076 0.000 1.048 266 V CB -0.513 31.295 31.823 -0.025 0.000 0.666 266 V HN 0.433 nan 8.190 nan 0.000 0.456 267 K N 0.145 120.504 120.400 -0.068 0.000 2.057 267 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 267 K C 2.127 178.682 176.600 -0.075 0.000 1.049 267 K CA 1.753 58.004 56.287 -0.059 0.000 0.931 267 K CB -0.357 32.115 32.500 -0.047 0.000 0.714 267 K HN 0.568 nan 8.250 nan 0.000 0.440 268 N N 0.842 119.484 118.700 -0.097 0.000 2.039 268 N HA -0.163 4.576 4.740 -0.000 0.000 0.193 268 N C 1.924 177.352 175.510 -0.137 0.000 1.044 268 N CA 1.783 54.769 53.050 -0.106 0.000 0.847 268 N CB 0.107 38.525 38.487 -0.114 0.000 1.030 268 N HN 0.036 nan 8.380 nan 0.000 0.422 269 V N -1.166 118.610 119.914 -0.229 0.000 2.720 269 V HA -0.100 4.020 4.120 -0.000 0.000 0.256 269 V C 1.994 178.015 176.094 -0.122 0.000 1.082 269 V CA 1.717 63.863 62.300 -0.256 0.000 1.101 269 V CB -0.822 30.662 31.823 -0.566 0.000 0.693 269 V HN 0.320 nan 8.190 nan 0.000 0.479 270 E N 0.238 120.383 120.200 -0.092 0.000 2.106 270 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 270 E C 2.191 178.771 176.600 -0.034 0.000 0.984 270 E CA 0.888 57.262 56.400 -0.043 0.000 0.806 270 E CB 0.010 29.687 29.700 -0.038 0.000 0.750 270 E HN 0.461 nan 8.360 nan 0.000 0.458 271 K N 0.303 120.677 120.400 -0.043 0.000 2.103 271 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 271 K C 2.079 178.662 176.600 -0.028 0.000 1.052 271 K CA 0.650 56.918 56.287 -0.032 0.000 0.945 271 K CB -0.126 32.353 32.500 -0.035 0.000 0.722 271 K HN 0.266 nan 8.250 nan 0.000 0.443 272 L N -0.197 121.003 121.223 -0.037 0.000 2.465 272 L HA -0.008 4.332 4.340 -0.000 0.000 0.224 272 L C 1.075 177.938 176.870 -0.011 0.000 1.145 272 L CA 0.720 55.545 54.840 -0.026 0.000 0.834 272 L CB -0.378 41.662 42.059 -0.032 0.000 0.944 272 L HN 0.343 nan 8.230 nan 0.000 0.451 273 G N 0.570 109.366 108.800 -0.006 0.000 2.165 273 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.226 273 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.226 273 G C 0.270 175.190 174.900 0.033 0.000 1.035 273 G CA 0.028 45.135 45.100 0.011 0.000 0.744 273 G HN 0.235 nan 8.290 nan 0.000 0.501 274 V N -2.505 117.437 119.914 0.047 0.000 3.237 274 V HA 0.597 4.717 4.120 -0.000 0.000 0.305 274 V C 1.266 177.444 176.094 0.140 0.000 1.096 274 V CA 0.841 63.206 62.300 0.108 0.000 1.130 274 V CB 1.241 33.154 31.823 0.150 0.000 1.048 274 V HN 0.225 nan 8.190 nan 0.000 0.484 275 K N 1.606 122.152 120.400 0.244 0.000 2.358 275 K HA 0.638 4.958 4.320 -0.000 0.000 0.200 275 K C 0.197 176.928 176.600 0.217 0.000 1.030 275 K CA 0.639 57.071 56.287 0.243 0.000 1.097 275 K CB 1.010 33.677 32.500 0.279 0.000 0.862 275 K HN 1.030 nan 8.250 nan 0.000 0.534 276 A N 0.659 123.598 122.820 0.199 0.000 2.608 276 A HA 0.542 4.862 4.320 -0.000 0.000 0.292 276 A C -1.913 175.688 177.584 0.028 0.000 1.066 276 A CA -0.703 51.311 52.037 -0.038 0.000 0.676 276 A CB 1.087 19.863 19.000 -0.374 0.000 1.277 276 A HN 0.086 nan 8.150 nan 0.000 0.413 277 L N 1.185 122.351 121.223 -0.095 0.000 2.319 277 L HA 0.572 4.911 4.340 -0.000 0.000 0.281 277 L C -1.589 175.197 176.870 -0.140 0.000 1.005 277 L CA -0.330 54.510 54.840 0.001 0.000 0.828 277 L CB 1.191 43.247 42.059 -0.005 0.000 1.227 277 L HN 0.679 nan 8.230 nan 0.000 0.415 278 F N 3.415 123.265 119.950 -0.168 0.000 2.388 278 F HA 0.369 4.896 4.527 -0.000 0.000 0.358 278 F C 0.104 175.802 175.800 -0.169 0.000 1.122 278 F CA -0.572 57.294 58.000 -0.224 0.000 1.056 278 F CB 1.766 40.589 39.000 -0.296 0.000 1.155 278 F HN -0.016 nan 8.300 nan 0.000 0.461 279 V N 3.590 123.486 119.914 -0.031 0.000 2.333 279 V HA 0.249 4.369 4.120 -0.000 0.000 0.274 279 V C 0.091 176.161 176.094 -0.041 0.000 1.028 279 V CA -0.627 61.650 62.300 -0.039 0.000 0.851 279 V CB 1.103 32.897 31.823 -0.049 0.000 1.000 279 V HN 0.715 nan 8.190 nan 0.000 0.456 280 T N 4.529 119.039 114.554 -0.074 0.000 2.794 280 T HA 0.225 4.575 4.350 -0.000 0.000 0.296 280 T C 0.874 175.619 174.700 0.075 0.000 0.949 280 T CA -0.045 62.045 62.100 -0.016 0.000 1.101 280 T CB 1.253 70.065 68.868 -0.093 0.000 0.905 280 T HN 0.721 nan 8.240 nan 0.000 0.516 281 V N 0.171 120.117 119.914 0.053 0.000 3.380 281 V HA 0.269 4.389 4.120 -0.000 0.000 0.307 281 V C 0.854 176.977 176.094 0.049 0.000 1.434 281 V CA -0.169 62.143 62.300 0.019 0.000 1.075 281 V CB -0.037 31.727 31.823 -0.099 0.000 0.954 281 V HN 0.788 nan 8.190 nan 0.000 0.444 282 D N 1.069 121.540 120.400 0.118 0.000 2.463 282 D HA 0.452 5.091 4.640 -0.000 0.000 0.224 282 D C 0.593 176.927 176.300 0.056 0.000 1.174 282 D CA 0.474 54.531 54.000 0.095 0.000 0.829 282 D CB 0.718 41.595 40.800 0.129 0.000 0.993 282 D HN 0.562 nan 8.370 nan 0.000 0.497 283 A N 1.665 124.522 122.820 0.062 0.000 3.370 283 A HA 0.392 4.712 4.320 -0.000 0.000 0.295 283 A C -1.872 175.688 177.584 -0.041 0.000 1.030 283 A CA -0.804 51.206 52.037 -0.044 0.000 0.883 283 A CB 0.932 19.863 19.000 -0.114 0.000 1.191 283 A HN -0.004 nan 8.150 nan 0.000 0.507 284 P HA -0.037 nan 4.420 nan 0.000 0.225 284 P C 0.576 177.845 177.300 -0.051 0.000 1.148 284 P CA 1.182 64.264 63.100 -0.031 0.000 0.779 284 P CB 0.440 32.129 31.700 -0.019 0.000 0.780 285 S N -1.085 114.575 115.700 -0.068 0.000 2.564 285 S HA 0.494 4.964 4.470 -0.000 0.000 0.274 285 S C -1.477 173.060 174.600 -0.105 0.000 1.124 285 S CA -0.841 57.316 58.200 -0.072 0.000 0.869 285 S CB 0.946 64.118 63.200 -0.046 0.000 1.105 285 S HN -0.072 nan 8.310 nan 0.000 0.472 286 L N 3.874 125.031 121.223 -0.110 0.000 2.278 286 L HA 0.653 4.993 4.340 -0.000 0.000 0.287 286 L C 0.975 177.778 176.870 -0.112 0.000 1.072 286 L CA 0.300 55.059 54.840 -0.135 0.000 0.819 286 L CB 0.358 42.341 42.059 -0.126 0.000 1.176 286 L HN 0.846 nan 8.230 nan 0.000 0.435 287 G N 3.541 112.259 108.800 -0.136 0.000 2.562 287 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.233 287 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.233 287 G C -0.304 174.548 174.900 -0.079 0.000 1.266 287 G CA -0.357 44.681 45.100 -0.103 0.000 0.852 287 G HN 0.740 nan 8.290 nan 0.000 0.581 288 Q N 0.729 120.500 119.800 -0.048 0.000 2.423 288 Q HA 0.196 4.536 4.340 -0.000 0.000 0.235 288 Q C -0.040 175.937 176.000 -0.038 0.000 1.100 288 Q CA -0.347 55.438 55.803 -0.029 0.000 0.908 288 Q CB 0.143 28.881 28.738 0.001 0.000 1.312 288 Q HN 0.421 nan 8.270 nan 0.000 0.497 289 R N 3.141 123.604 120.500 -0.061 0.000 2.408 289 R HA 0.073 4.413 4.340 -0.000 0.000 0.308 289 R C 0.383 176.652 176.300 -0.053 0.000 1.210 289 R CA -0.044 56.008 56.100 -0.080 0.000 1.115 289 R CB 0.448 30.666 30.300 -0.136 0.000 1.127 289 R HN 0.660 nan 8.270 nan 0.000 0.523 290 E N 1.643 121.827 120.200 -0.025 0.000 2.338 290 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 290 E C 0.874 177.468 176.600 -0.011 0.000 1.007 290 E CA 0.954 57.356 56.400 0.004 0.000 0.849 290 E CB 0.216 29.937 29.700 0.036 0.000 0.774 290 E HN 0.383 nan 8.360 nan 0.000 0.506 291 K N 0.780 121.160 120.400 -0.032 0.000 2.057 291 K HA -0.138 4.181 4.320 -0.000 0.000 0.206 291 K C 1.539 178.110 176.600 -0.048 0.000 1.050 291 K CA 1.572 57.842 56.287 -0.029 0.000 0.935 291 K CB 0.027 32.500 32.500 -0.046 0.000 0.715 291 K HN 0.025 nan 8.250 nan 0.000 0.439 292 D N 0.730 121.093 120.400 -0.062 0.000 2.087 292 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 292 D C 1.841 178.061 176.300 -0.132 0.000 0.993 292 D CA 1.383 55.348 54.000 -0.058 0.000 0.828 292 D CB -0.053 40.735 40.800 -0.020 0.000 0.968 292 D HN 0.071 nan 8.370 nan 0.000 0.448 293 M N 0.255 119.764 119.600 -0.151 0.000 2.088 293 M HA -0.253 4.227 4.480 -0.000 0.000 0.256 293 M C 2.195 178.134 176.300 -0.602 0.000 1.071 293 M CA 1.513 56.620 55.300 -0.322 0.000 1.097 293 M CB -0.261 32.278 32.600 -0.102 0.000 1.315 293 M HN -0.047 nan 8.290 nan 0.000 0.406 294 K N 0.388 120.655 120.400 -0.222 0.000 2.103 294 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 294 K C 1.827 178.343 176.600 -0.140 0.000 1.048 294 K CA 1.221 57.462 56.287 -0.077 0.000 0.930 294 K CB -0.239 32.288 32.500 0.045 0.000 0.716 294 K HN 0.210 nan 8.250 nan 0.000 0.444 295 L N 1.226 122.360 121.223 -0.147 0.000 2.362 295 L HA -0.116 4.224 4.340 -0.000 0.000 0.219 295 L C 1.570 178.364 176.870 -0.127 0.000 1.134 295 L CA 1.521 56.301 54.840 -0.099 0.000 0.807 295 L CB 0.049 42.065 42.059 -0.073 0.000 0.927 295 L HN 0.035 nan 8.230 nan 0.000 0.447 296 K N -1.242 119.008 120.400 -0.251 0.000 2.242 296 K HA 0.084 4.404 4.320 -0.000 0.000 0.200 296 K C 0.106 176.672 176.600 -0.056 0.000 1.050 296 K CA 0.175 56.375 56.287 -0.145 0.000 0.981 296 K CB 0.028 32.442 32.500 -0.144 0.000 0.795 296 K HN 0.055 nan 8.250 nan 0.000 0.477 297 F N 2.428 122.419 119.950 0.069 0.000 2.685 297 F HA 0.212 4.739 4.527 -0.000 0.000 0.349 297 F C 0.643 176.459 175.800 0.027 0.000 1.294 297 F CA -0.185 57.843 58.000 0.046 0.000 1.201 297 F CB -1.453 37.572 39.000 0.042 0.000 1.615 297 F HN 0.173 nan 8.300 nan 0.000 0.674 298 S N 0.981 116.777 115.700 0.161 0.000 3.898 298 S HA 0.271 4.741 4.470 -0.000 0.000 0.688 298 S C -0.166 174.460 174.600 0.043 0.000 0.563 298 S CA 0.242 58.493 58.200 0.085 0.000 1.414 298 S CB -1.948 nan 63.200 nan 0.000 0.798 298 S HN 1.364 nan 8.310 nan 0.000 0.944 299 N N -0.083 118.631 118.700 0.023 0.000 2.542 299 N HA 1.176 5.915 4.740 -0.000 0.000 0.288 299 N C -0.243 175.263 175.510 -0.007 0.000 1.115 299 N CA 1.122 54.165 53.050 -0.012 0.000 0.924 299 N CB 1.008 nan 38.487 nan 0.000 1.526 299 N HN 2.596 nan 8.380 nan 0.000 0.515 322 L N 0.564 121.760 121.223 -0.045 0.000 2.469 322 L HA 0.743 5.083 4.340 -0.000 0.000 0.253 322 L C 0.742 177.583 176.870 -0.049 0.000 1.143 322 L CA 0.244 55.059 54.840 -0.042 0.000 0.804 322 L CB 1.410 43.454 42.059 -0.025 0.000 1.214 322 L HN 0.508 nan 8.230 nan 0.000 0.476 323 S N -1.193 114.486 115.700 -0.035 0.000 2.645 323 S HA 0.210 4.680 4.470 -0.000 0.000 0.268 323 S C -0.419 174.189 174.600 0.014 0.000 1.110 323 S CA -0.764 57.422 58.200 -0.025 0.000 0.823 323 S CB 1.322 64.493 63.200 -0.048 0.000 1.091 323 S HN 0.617 nan 8.310 nan 0.000 0.466 324 K N 0.520 120.945 120.400 0.042 0.000 2.400 324 K HA 0.181 4.501 4.320 -0.000 0.000 0.194 324 K C 1.222 177.858 176.600 0.060 0.000 1.033 324 K CA 0.410 56.722 56.287 0.042 0.000 1.021 324 K CB -0.183 32.342 32.500 0.041 0.000 0.808 324 K HN 0.513 nan 8.250 nan 0.000 0.505 325 F N 1.649 121.563 119.950 -0.059 0.000 2.095 325 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 325 F C 0.661 176.424 175.800 -0.062 0.000 1.104 325 F CA 1.105 59.063 58.000 -0.069 0.000 1.232 325 F CB 0.246 39.156 39.000 -0.150 0.000 0.987 325 F HN -0.171 nan 8.300 nan 0.000 0.475 326 I N 0.550 121.187 120.570 0.110 0.000 2.330 326 I HA 0.122 4.292 4.170 -0.000 0.000 0.289 326 I C -0.656 175.470 176.117 0.015 0.000 1.001 326 I CA -0.597 60.716 61.300 0.021 0.000 1.193 326 I CB 0.991 38.902 38.000 -0.148 0.000 1.345 326 I HN -0.132 nan 8.210 nan 0.000 0.461 327 D N 8.716 129.131 120.400 0.025 0.000 2.312 327 D HA 0.226 4.866 4.640 -0.000 0.000 0.252 327 D C -1.645 174.658 176.300 0.005 0.000 1.150 327 D CA -1.832 52.176 54.000 0.012 0.000 0.870 327 D CB 1.293 42.100 40.800 0.012 0.000 1.153 327 D HN 0.281 nan 8.370 nan 0.000 0.457 328 P HA 0.042 nan 4.420 nan 0.000 0.253 328 P C -0.178 177.119 177.300 -0.005 0.000 1.260 328 P CA 0.072 63.168 63.100 -0.007 0.000 0.800 328 P CB 0.342 32.036 31.700 -0.010 0.000 1.162 329 S N -0.518 115.181 115.700 -0.002 0.000 2.575 329 S HA 0.203 4.673 4.470 -0.000 0.000 0.237 329 S C 0.821 175.415 174.600 -0.010 0.000 0.975 329 S CA -0.404 57.795 58.200 -0.002 0.000 0.960 329 S CB -0.152 63.051 63.200 0.005 0.000 0.822 329 S HN 0.137 nan 8.310 nan 0.000 0.472 330 L N 2.137 123.346 121.223 -0.024 0.000 2.467 330 L HA 0.248 4.588 4.340 -0.000 0.000 0.270 330 L C 0.411 177.237 176.870 -0.075 0.000 1.205 330 L CA 0.432 55.245 54.840 -0.046 0.000 0.828 330 L CB 0.620 42.638 42.059 -0.068 0.000 1.101 330 L HN 0.152 nan 8.230 nan 0.000 0.479 331 T N -0.782 113.726 114.554 -0.077 0.000 2.864 331 T HA 0.134 4.484 4.350 -0.000 0.000 0.299 331 T C 0.262 174.921 174.700 -0.069 0.000 1.166 331 T CA -0.530 61.534 62.100 -0.061 0.000 1.007 331 T CB 1.126 70.015 68.868 0.036 0.000 1.219 331 T HN 0.541 nan 8.240 nan 0.000 0.506 332 W N 0.928 122.237 121.300 0.015 0.000 2.341 332 W HA -0.064 4.596 4.660 -0.000 0.000 0.283 332 W C 2.438 178.962 176.519 0.008 0.000 1.215 332 W CA 0.626 57.977 57.345 0.011 0.000 1.211 332 W CB 0.085 29.551 29.460 0.009 0.000 1.131 332 W HN 0.470 nan 8.180 nan 0.000 0.552 333 K N 0.492 121.017 120.400 0.210 0.000 2.103 333 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 333 K C 1.370 178.017 176.600 0.079 0.000 1.052 333 K CA 1.372 57.734 56.287 0.126 0.000 0.945 333 K CB -0.514 32.042 32.500 0.092 0.000 0.722 333 K HN 0.153 nan 8.250 nan 0.000 0.443 334 D N 0.911 121.340 120.400 0.048 0.000 2.123 334 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 334 D C 1.912 178.223 176.300 0.019 0.000 0.992 334 D CA 1.025 55.037 54.000 0.021 0.000 0.833 334 D CB -0.025 40.772 40.800 -0.005 0.000 0.954 334 D HN 0.111 nan 8.370 nan 0.000 0.455 335 I N 1.596 122.177 120.570 0.019 0.000 2.252 335 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 335 I C 2.294 178.446 176.117 0.057 0.000 1.102 335 I CA 0.921 62.236 61.300 0.024 0.000 1.385 335 I CB -0.628 37.381 38.000 0.015 0.000 1.064 335 I HN -0.012 nan 8.210 nan 0.000 0.414 336 E N 0.067 120.323 120.200 0.092 0.000 2.097 336 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 336 E C 2.015 178.642 176.600 0.044 0.000 1.000 336 E CA 1.268 57.712 56.400 0.073 0.000 0.804 336 E CB -0.062 29.686 29.700 0.080 0.000 0.740 336 E HN 0.430 nan 8.360 nan 0.000 0.454 337 E N 0.437 120.659 120.200 0.037 0.000 2.152 337 E HA -0.103 4.246 4.350 -0.000 0.000 0.192 337 E C 2.158 178.767 176.600 0.016 0.000 0.983 337 E CA 0.388 56.802 56.400 0.024 0.000 0.818 337 E CB -0.095 29.618 29.700 0.021 0.000 0.758 337 E HN 0.322 nan 8.360 nan 0.000 0.467 338 L N 0.999 122.231 121.223 0.014 0.000 2.141 338 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 338 L C 2.238 179.109 176.870 0.002 0.000 1.094 338 L CA 1.046 55.890 54.840 0.006 0.000 0.763 338 L CB -0.115 41.945 42.059 0.002 0.000 0.908 338 L HN 0.081 nan 8.230 nan 0.000 0.437 339 K N 0.250 120.654 120.400 0.006 0.000 2.063 339 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 339 K C 1.909 178.509 176.600 0.001 0.000 1.048 339 K CA 1.348 57.636 56.287 0.001 0.000 0.928 339 K CB -0.228 32.276 32.500 0.007 0.000 0.713 339 K HN 0.414 nan 8.250 nan 0.000 0.442 340 K N 0.907 121.310 120.400 0.005 0.000 2.148 340 K HA -0.091 4.228 4.320 -0.000 0.000 0.204 340 K C 1.678 178.278 176.600 0.000 0.000 1.050 340 K CA 0.945 57.234 56.287 0.003 0.000 0.942 340 K CB -0.002 32.501 32.500 0.006 0.000 0.724 340 K HN -0.075 nan 8.250 nan 0.000 0.446 341 K N 0.403 120.802 120.400 -0.000 0.000 2.487 341 K HA 0.076 4.396 4.320 -0.000 0.000 0.192 341 K C 0.160 176.756 176.600 -0.007 0.000 1.027 341 K CA 0.328 56.613 56.287 -0.003 0.000 1.054 341 K CB 0.695 33.193 32.500 -0.003 0.000 0.824 341 K HN -0.039 nan 8.250 nan 0.000 0.510 342 T N -0.833 113.717 114.554 -0.007 0.000 2.889 342 T HA 0.312 4.661 4.350 -0.000 0.000 0.315 342 T C -0.644 174.050 174.700 -0.010 0.000 1.291 342 T CA -0.801 61.293 62.100 -0.010 0.000 1.028 342 T CB 0.915 69.776 68.868 -0.012 0.000 1.235 342 T HN 0.060 nan 8.240 nan 0.000 0.491 343 K N 2.804 123.198 120.400 -0.009 0.000 2.358 343 K HA 0.432 4.752 4.320 -0.000 0.000 0.200 343 K C 0.248 176.843 176.600 -0.009 0.000 1.030 343 K CA 0.157 56.440 56.287 -0.008 0.000 1.097 343 K CB -0.207 32.290 32.500 -0.004 0.000 0.862 343 K HN 0.434 nan 8.250 nan 0.000 0.534 344 L N 2.196 123.412 121.223 -0.012 0.000 2.436 344 L HA 0.362 4.702 4.340 -0.000 0.000 0.265 344 L C -2.036 174.809 176.870 -0.041 0.000 1.168 344 L CA -2.465 52.367 54.840 -0.014 0.000 0.815 344 L CB 0.119 42.175 42.059 -0.006 0.000 1.109 344 L HN -0.027 nan 8.230 nan 0.000 0.462 345 P HA 0.176 nan 4.420 nan 0.000 0.269 345 P C -0.869 176.328 177.300 -0.173 0.000 1.215 345 P CA 0.114 63.150 63.100 -0.106 0.000 0.780 345 P CB 0.531 32.159 31.700 -0.120 0.000 0.898 346 I N 1.567 122.032 120.570 -0.176 0.000 2.433 346 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 346 I C -0.524 175.414 176.117 -0.299 0.000 1.001 346 I CA -0.857 60.316 61.300 -0.211 0.000 1.119 346 I CB 1.933 39.867 38.000 -0.110 0.000 1.289 346 I HN -0.038 nan 8.210 nan 0.000 0.438 347 V N 7.184 126.804 119.914 -0.490 0.000 2.487 347 V HA 0.416 4.535 4.120 -0.000 0.000 0.298 347 V C 0.032 175.934 176.094 -0.320 0.000 1.028 347 V CA -0.595 61.380 62.300 -0.543 0.000 0.860 347 V CB 2.080 33.133 31.823 -1.284 0.000 0.991 347 V HN 0.476 nan 8.190 nan 0.000 0.427 348 I N 5.033 125.520 120.570 -0.138 0.000 2.379 348 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 348 I C 0.359 176.474 176.117 -0.004 0.000 1.063 348 I CA 0.103 61.364 61.300 -0.065 0.000 1.351 348 I CB 0.636 38.624 38.000 -0.019 0.000 1.410 348 I HN 0.541 nan 8.210 nan 0.000 0.505 349 K N 5.875 126.291 120.400 0.026 0.000 2.293 349 K HA 0.582 4.901 4.320 -0.000 0.000 0.267 349 K C 0.336 176.980 176.600 0.073 0.000 1.010 349 K CA -0.281 56.062 56.287 0.094 0.000 0.875 349 K CB 1.043 33.623 32.500 0.133 0.000 1.106 349 K HN 0.827 nan 8.250 nan 0.000 0.450 350 G N 2.356 111.211 108.800 0.092 0.000 2.240 350 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.181 350 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.181 350 G C -0.493 174.461 174.900 0.090 0.000 1.028 350 G CA -0.392 44.767 45.100 0.099 0.000 0.760 350 G HN 0.465 nan 8.290 nan 0.000 0.508 351 V N 0.879 120.851 119.914 0.096 0.000 2.572 351 V HA 0.335 4.455 4.120 -0.000 0.000 0.291 351 V C 1.058 177.212 176.094 0.099 0.000 1.039 351 V CA 0.715 63.077 62.300 0.103 0.000 1.055 351 V CB 1.447 33.345 31.823 0.125 0.000 0.969 351 V HN 0.452 nan 8.190 nan 0.000 0.482 352 Q N 4.001 123.856 119.800 0.092 0.000 2.159 352 Q HA 0.317 4.656 4.340 -0.000 0.000 0.217 352 Q C 0.174 176.219 176.000 0.075 0.000 0.818 352 Q CA -0.171 55.680 55.803 0.080 0.000 1.008 352 Q CB 0.679 29.462 28.738 0.074 0.000 1.148 352 Q HN 0.859 nan 8.270 nan 0.000 0.491 353 R N -2.976 117.573 120.500 0.082 0.000 2.690 353 R HA 0.389 4.729 4.340 -0.000 0.000 0.269 353 R C -0.170 176.172 176.300 0.071 0.000 1.037 353 R CA -0.636 55.505 56.100 0.070 0.000 0.877 353 R CB 0.228 30.569 30.300 0.068 0.000 1.255 353 R HN -0.234 nan 8.270 nan 0.000 0.467 354 T N 0.792 115.377 114.554 0.052 0.000 2.759 354 T HA -0.155 4.194 4.350 -0.000 0.000 0.269 354 T C 1.054 175.777 174.700 0.039 0.000 1.042 354 T CA 2.187 64.313 62.100 0.043 0.000 1.140 354 T CB -0.189 68.696 68.868 0.028 0.000 0.864 354 T HN 0.626 nan 8.240 nan 0.000 0.455 355 E N 1.125 121.348 120.200 0.038 0.000 2.110 355 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 355 E C 1.969 178.584 176.600 0.025 0.000 0.988 355 E CA 1.085 57.495 56.400 0.017 0.000 0.804 355 E CB -0.164 29.549 29.700 0.020 0.000 0.745 355 E HN 0.407 nan 8.360 nan 0.000 0.458 356 D N -0.405 120.059 120.400 0.107 0.000 2.269 356 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 356 D C 1.777 178.194 176.300 0.194 0.000 0.963 356 D CA 0.386 54.522 54.000 0.225 0.000 0.864 356 D CB 0.075 41.073 40.800 0.331 0.000 0.936 356 D HN 0.046 nan 8.370 nan 0.000 0.505 357 V N 1.244 121.226 119.914 0.113 0.000 2.323 357 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 357 V C 2.494 178.610 176.094 0.037 0.000 1.041 357 V CA 0.989 63.343 62.300 0.090 0.000 1.025 357 V CB -0.220 31.640 31.823 0.062 0.000 0.656 357 V HN 0.192 nan 8.190 nan 0.000 0.451 358 I N -0.272 120.295 120.570 -0.004 0.000 2.226 358 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 358 I C 2.543 178.590 176.117 -0.117 0.000 1.100 358 I CA 1.691 62.962 61.300 -0.047 0.000 1.374 358 I CB -0.541 37.432 38.000 -0.046 0.000 1.057 358 I HN 0.297 nan 8.210 nan 0.000 0.413 359 K N 1.337 121.607 120.400 -0.217 0.000 2.009 359 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 359 K C 2.299 178.643 176.600 -0.426 0.000 1.049 359 K CA 1.696 57.687 56.287 -0.494 0.000 0.929 359 K CB -0.211 31.715 32.500 -0.957 0.000 0.714 359 K HN 0.276 nan 8.250 nan 0.000 0.440 360 A N 0.965 123.693 122.820 -0.154 0.000 1.917 360 A HA -0.239 4.080 4.320 -0.000 0.000 0.219 360 A C 2.315 179.931 177.584 0.054 0.000 1.182 360 A CA 2.302 54.453 52.037 0.190 0.000 0.633 360 A CB -1.059 18.126 19.000 0.309 0.000 0.819 360 A HN 0.495 nan 8.150 nan 0.000 0.448 361 A N -0.208 122.613 122.820 0.002 0.000 1.865 361 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 361 A C 1.890 179.453 177.584 -0.036 0.000 1.191 361 A CA 1.747 53.776 52.037 -0.013 0.000 0.623 361 A CB -0.674 18.313 19.000 -0.022 0.000 0.826 361 A HN 0.656 nan 8.150 nan 0.000 0.444 362 E N -0.193 119.959 120.200 -0.079 0.000 2.204 362 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 362 E C 1.626 178.187 176.600 -0.066 0.000 0.990 362 E CA 1.223 57.573 56.400 -0.085 0.000 0.821 362 E CB -0.389 29.233 29.700 -0.129 0.000 0.750 362 E HN 0.930 nan 8.360 nan 0.000 0.477 363 I N -3.225 117.316 120.570 -0.048 0.000 3.812 363 I HA 0.330 4.499 4.170 -0.000 0.000 0.320 363 I C 1.001 177.132 176.117 0.023 0.000 1.276 363 I CA 0.307 61.610 61.300 0.005 0.000 1.164 363 I CB -0.072 37.970 38.000 0.070 0.000 1.009 363 I HN 0.041 nan 8.210 nan 0.000 0.431 364 G N 1.831 110.638 108.800 0.011 0.000 2.198 364 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.257 364 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.257 364 G C 0.107 175.014 174.900 0.011 0.000 1.042 364 G CA 0.334 45.438 45.100 0.006 0.000 0.791 364 G HN 0.381 nan 8.290 nan 0.000 0.502 365 V N 0.288 120.218 119.914 0.026 0.000 3.051 365 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 365 V C 1.793 177.877 176.094 -0.016 0.000 1.083 365 V CA 0.984 63.290 62.300 0.010 0.000 1.104 365 V CB 1.396 33.251 31.823 0.053 0.000 1.027 365 V HN 0.593 nan 8.190 nan 0.000 0.483 366 S N 2.781 118.451 115.700 -0.050 0.000 2.436 366 S HA 0.236 4.706 4.470 -0.000 0.000 0.228 366 S C 0.548 175.124 174.600 -0.039 0.000 1.014 366 S CA 0.565 58.735 58.200 -0.050 0.000 0.950 366 S CB 0.089 63.243 63.200 -0.076 0.000 0.784 366 S HN 1.184 nan 8.310 nan 0.000 0.504 367 G N -0.320 108.447 108.800 -0.056 0.000 2.663 367 G HA2 0.599 4.559 3.960 -0.000 0.000 0.299 367 G HA3 0.599 4.559 3.960 -0.000 0.000 0.299 367 G C -2.055 172.855 174.900 0.016 0.000 1.372 367 G CA -0.511 44.594 45.100 0.008 0.000 0.781 367 G HN 0.098 nan 8.290 nan 0.000 0.491 368 V N -0.605 119.373 119.914 0.107 0.000 2.851 368 V HA 0.563 4.683 4.120 -0.000 0.000 0.307 368 V C -0.951 175.282 176.094 0.232 0.000 1.129 368 V CA -0.562 61.811 62.300 0.121 0.000 0.932 368 V CB 2.214 34.102 31.823 0.108 0.000 1.024 368 V HN 0.689 nan 8.190 nan 0.000 0.426 369 V N 6.296 126.344 119.914 0.224 0.000 2.357 369 V HA 0.437 4.557 4.120 -0.000 0.000 0.284 369 V C -0.011 176.209 176.094 0.210 0.000 1.018 369 V CA -0.549 61.935 62.300 0.307 0.000 0.841 369 V CB 1.602 33.605 31.823 0.299 0.000 0.991 369 V HN 0.640 nan 8.190 nan 0.000 0.437 370 L N 4.712 126.055 121.223 0.200 0.000 2.456 370 L HA 0.462 4.802 4.340 -0.000 0.000 0.277 370 L C 0.425 177.379 176.870 0.141 0.000 1.124 370 L CA 0.743 55.671 54.840 0.147 0.000 0.880 370 L CB 0.684 42.819 42.059 0.128 0.000 1.192 370 L HN 0.775 nan 8.230 nan 0.000 0.463 371 S N 3.037 118.810 115.700 0.121 0.000 2.552 371 S HA 0.361 4.831 4.470 -0.000 0.000 0.272 371 S C -0.438 174.226 174.600 0.107 0.000 1.150 371 S CA -0.883 57.385 58.200 0.112 0.000 0.849 371 S CB 1.531 64.796 63.200 0.110 0.000 1.113 371 S HN 0.765 nan 8.310 nan 0.000 0.458 372 N N 1.665 120.430 118.700 0.107 0.000 2.299 372 N HA 0.109 4.849 4.740 -0.000 0.000 0.246 372 N C -0.029 175.579 175.510 0.163 0.000 1.254 372 N CA -0.089 53.028 53.050 0.112 0.000 0.879 372 N CB -0.129 38.404 38.487 0.076 0.000 1.214 372 N HN 0.960 nan 8.380 nan 0.000 0.510 373 H N 0.872 119.960 119.070 0.031 0.000 2.880 373 H HA -0.144 4.412 4.556 -0.000 0.000 0.304 373 H C 1.017 176.335 175.328 -0.016 0.000 1.259 373 H CA 0.998 57.054 56.048 0.014 0.000 1.153 373 H CB -1.395 28.380 29.762 0.021 0.000 1.395 373 H HN 0.648 nan 8.280 nan 0.000 0.420 374 G N -0.474 108.377 108.800 0.085 0.000 2.198 374 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.260 374 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.260 374 G C 1.386 176.303 174.900 0.028 0.000 1.025 374 G CA 1.102 46.230 45.100 0.045 0.000 0.769 374 G HN 1.861 nan 8.290 nan 0.000 0.507 375 G N -1.013 107.826 108.800 0.065 0.000 2.225 375 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.267 375 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.267 375 G C 0.820 175.708 174.900 -0.020 0.000 1.024 375 G CA 1.082 46.207 45.100 0.042 0.000 0.784 375 G HN 1.161 nan 8.290 nan 0.000 0.507 376 R N -1.065 119.420 120.500 -0.024 0.000 2.388 376 R HA 0.252 4.592 4.340 -0.000 0.000 0.247 376 R C 1.572 177.797 176.300 -0.126 0.000 0.931 376 R CA 0.228 56.275 56.100 -0.089 0.000 1.082 376 R CB 0.214 30.470 30.300 -0.075 0.000 1.135 376 R HN 0.414 nan 8.270 nan 0.000 0.525 377 Q N -0.075 119.670 119.800 -0.091 0.000 1.845 377 Q HA 0.245 4.585 4.340 -0.000 0.000 0.152 377 Q C 0.028 176.000 176.000 -0.047 0.000 0.453 377 Q CA -0.262 55.474 55.803 -0.111 0.000 0.693 377 Q CB 0.185 28.842 28.738 -0.134 0.000 0.936 377 Q HN 0.125 nan 8.270 nan 0.000 0.323 378 L N 3.367 124.583 121.223 -0.012 0.000 2.281 378 L HA 0.203 4.543 4.340 -0.000 0.000 0.285 378 L C -0.388 176.492 176.870 0.017 0.000 1.074 378 L CA -0.085 54.764 54.840 0.015 0.000 0.817 378 L CB 0.827 42.908 42.059 0.036 0.000 1.168 378 L HN 0.319 nan 8.230 nan 0.000 0.434 379 D N 3.380 123.793 120.400 0.023 0.000 2.357 379 D HA 0.094 4.734 4.640 -0.000 0.000 0.242 379 D C 0.319 176.645 176.300 0.044 0.000 1.153 379 D CA 0.370 54.349 54.000 -0.036 0.000 0.918 379 D CB 0.532 41.312 40.800 -0.033 0.000 1.181 379 D HN 0.441 nan 8.370 nan 0.000 0.435 380 F N -0.691 119.272 119.950 0.021 0.000 3.057 380 F HA -0.251 4.276 4.527 -0.000 0.000 0.287 380 F C 0.825 176.637 175.800 0.019 0.000 0.834 380 F CA 0.560 58.570 58.000 0.017 0.000 1.147 380 F CB -1.804 37.204 39.000 0.014 0.000 1.245 380 F HN 0.085 nan 8.300 nan 0.000 0.509 381 S N -0.079 115.659 115.700 0.064 0.000 2.584 381 S HA 0.664 5.134 4.470 -0.000 0.000 0.273 381 S C 0.697 175.321 174.600 0.041 0.000 1.311 381 S CA -0.636 57.602 58.200 0.064 0.000 1.034 381 S CB 0.849 64.078 63.200 0.047 0.000 0.939 381 S HN 0.297 nan 8.310 nan 0.000 0.513 382 R N 1.476 122.004 120.500 0.047 0.000 2.774 382 R HA 0.429 4.769 4.340 -0.000 0.000 0.269 382 R C 0.254 176.558 176.300 0.006 0.000 1.068 382 R CA -0.028 56.088 56.100 0.026 0.000 1.180 382 R CB 0.194 30.511 30.300 0.029 0.000 1.077 382 R HN 0.686 nan 8.270 nan 0.000 0.513 383 A N 3.085 125.892 122.820 -0.022 0.000 2.492 383 A HA 0.168 4.487 4.320 -0.000 0.000 0.254 383 A C -1.647 175.913 177.584 -0.039 0.000 1.091 383 A CA -1.242 50.768 52.037 -0.046 0.000 0.768 383 A CB 0.075 19.011 19.000 -0.108 0.000 1.028 383 A HN 0.548 nan 8.150 nan 0.000 0.498 384 P HA -0.199 nan 4.420 nan 0.000 0.216 384 P C 1.399 178.688 177.300 -0.017 0.000 1.150 384 P CA 0.827 63.939 63.100 0.021 0.000 0.843 384 P CB 0.067 31.810 31.700 0.072 0.000 0.787 385 I N -0.068 120.429 120.570 -0.121 0.000 2.335 385 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 385 I C 2.085 178.143 176.117 -0.098 0.000 1.129 385 I CA 1.640 62.846 61.300 -0.157 0.000 1.402 385 I CB -0.637 37.066 38.000 -0.494 0.000 1.069 385 I HN -0.029 nan 8.210 nan 0.000 0.424 386 E N -0.466 119.676 120.200 -0.097 0.000 2.112 386 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 386 E C 2.145 178.736 176.600 -0.016 0.000 0.979 386 E CA 1.188 57.556 56.400 -0.053 0.000 0.814 386 E CB 0.093 29.761 29.700 -0.053 0.000 0.762 386 E HN 0.357 nan 8.360 nan 0.000 0.460 387 V N 1.998 121.910 119.914 -0.002 0.000 2.427 387 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 387 V C 2.508 178.616 176.094 0.023 0.000 1.051 387 V CA 1.254 63.565 62.300 0.019 0.000 1.048 387 V CB -0.532 31.312 31.823 0.036 0.000 0.666 387 V HN 0.401 nan 8.190 nan 0.000 0.456 388 L N 0.392 121.630 121.223 0.024 0.000 2.017 388 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 388 L C 2.616 179.500 176.870 0.024 0.000 1.073 388 L CA 2.028 56.888 54.840 0.033 0.000 0.745 388 L CB -0.622 41.465 42.059 0.046 0.000 0.894 388 L HN 0.390 nan 8.230 nan 0.000 0.432 389 A N -0.532 122.297 122.820 0.015 0.000 2.024 389 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 389 A C 2.147 179.740 177.584 0.015 0.000 1.164 389 A CA 1.931 53.977 52.037 0.015 0.000 0.643 389 A CB -0.438 18.566 19.000 0.007 0.000 0.806 389 A HN 0.655 nan 8.150 nan 0.000 0.451 390 E N -1.095 119.113 120.200 0.014 0.000 2.060 390 E HA -0.094 4.256 4.350 -0.000 0.000 0.189 390 E C 1.916 178.526 176.600 0.016 0.000 0.974 390 E CA 1.331 57.740 56.400 0.014 0.000 0.808 390 E CB -0.096 29.613 29.700 0.015 0.000 0.768 390 E HN 0.455 nan 8.360 nan 0.000 0.453 391 T N 0.808 115.374 114.554 0.020 0.000 2.701 391 T HA -0.136 4.214 4.350 -0.000 0.000 0.263 391 T C 1.744 176.454 174.700 0.016 0.000 1.040 391 T CA 1.445 63.558 62.100 0.021 0.000 1.147 391 T CB -0.211 68.674 68.868 0.029 0.000 0.865 391 T HN 0.097 nan 8.240 nan 0.000 0.426 392 M N 1.080 120.689 119.600 0.016 0.000 2.149 392 M HA -0.007 4.473 4.480 -0.000 0.000 0.261 392 M C -1.174 175.132 176.300 0.010 0.000 1.064 392 M CA 1.474 56.781 55.300 0.012 0.000 1.102 392 M CB -0.923 31.686 32.600 0.015 0.000 1.369 392 M HN 0.125 nan 8.290 nan 0.000 0.408 393 P HA -0.051 nan 4.420 nan 0.000 0.217 393 P C 1.397 178.701 177.300 0.006 0.000 1.151 393 P CA 1.145 64.251 63.100 0.010 0.000 0.828 393 P CB -0.024 31.683 31.700 0.011 0.000 0.788 394 I N -1.332 119.241 120.570 0.006 0.000 2.252 394 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 394 I C 2.285 178.402 176.117 0.000 0.000 1.102 394 I CA 1.276 62.578 61.300 0.003 0.000 1.385 394 I CB -0.927 37.076 38.000 0.004 0.000 1.064 394 I HN -0.146 nan 8.210 nan 0.000 0.414 395 L N -0.266 120.958 121.223 0.001 0.000 2.046 395 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 395 L C 2.468 179.336 176.870 -0.003 0.000 1.077 395 L CA 1.514 56.353 54.840 -0.002 0.000 0.747 395 L CB -0.574 41.484 42.059 -0.002 0.000 0.896 395 L HN 0.296 nan 8.230 nan 0.000 0.432 396 E N -0.132 120.068 120.200 -0.000 0.000 2.017 396 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 396 E C 2.194 178.793 176.600 -0.001 0.000 0.997 396 E CA 1.253 57.653 56.400 -0.000 0.000 0.804 396 E CB -0.032 29.669 29.700 0.003 0.000 0.757 396 E HN 0.469 nan 8.360 nan 0.000 0.448 397 Q N -0.163 119.637 119.800 -0.000 0.000 2.368 397 Q HA -0.158 4.182 4.340 -0.000 0.000 0.210 397 Q C 1.705 177.702 176.000 -0.004 0.000 0.982 397 Q CA 0.852 56.654 55.803 -0.002 0.000 0.884 397 Q CB -0.051 28.686 28.738 -0.001 0.000 0.933 397 Q HN 0.013 nan 8.270 nan 0.000 0.460 398 R N -0.027 120.469 120.500 -0.006 0.000 2.427 398 R HA 0.071 4.411 4.340 -0.000 0.000 0.262 398 R C 0.049 176.343 176.300 -0.010 0.000 0.943 398 R CA 0.181 56.275 56.100 -0.010 0.000 1.081 398 R CB 0.106 30.398 30.300 -0.013 0.000 1.166 398 R HN 0.280 nan 8.270 nan 0.000 0.534 399 N N -1.000 117.695 118.700 -0.008 0.000 2.853 399 N HA -0.238 4.501 4.740 -0.000 0.000 0.239 399 N C 0.398 175.902 175.510 -0.009 0.000 0.967 399 N CA 0.990 54.036 53.050 -0.007 0.000 0.973 399 N CB -0.830 37.653 38.487 -0.007 0.000 1.104 399 N HN 0.220 nan 8.380 nan 0.000 0.602 400 L N 0.410 121.626 121.223 -0.011 0.000 2.456 400 L HA -0.079 4.261 4.340 -0.000 0.000 0.224 400 L C 2.321 179.184 176.870 -0.012 0.000 1.148 400 L CA 0.678 55.510 54.840 -0.013 0.000 0.825 400 L CB -0.352 41.697 42.059 -0.016 0.000 0.937 400 L HN 0.207 nan 8.230 nan 0.000 0.450 401 K N 0.770 121.164 120.400 -0.010 0.000 2.089 401 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 401 K C 1.149 177.741 176.600 -0.014 0.000 1.048 401 K CA 2.045 58.326 56.287 -0.011 0.000 0.926 401 K CB -0.051 32.445 32.500 -0.007 0.000 0.714 401 K HN 0.294 nan 8.250 nan 0.000 0.448 402 D N -0.182 120.211 120.400 -0.011 0.000 2.349 402 D HA -0.041 4.598 4.640 -0.000 0.000 0.215 402 D C 1.112 177.404 176.300 -0.013 0.000 1.016 402 D CA 0.612 54.605 54.000 -0.012 0.000 0.870 402 D CB 0.270 41.066 40.800 -0.006 0.000 0.917 402 D HN 0.377 nan 8.370 nan 0.000 0.524 403 K N -0.085 120.307 120.400 -0.014 0.000 2.397 403 K HA 0.169 4.489 4.320 -0.000 0.000 0.202 403 K C -0.198 176.392 176.600 -0.016 0.000 1.022 403 K CA -0.286 55.993 56.287 -0.013 0.000 1.141 403 K CB 0.621 33.114 32.500 -0.011 0.000 0.857 403 K HN -0.048 nan 8.250 nan 0.000 0.514 404 L N 1.739 122.948 121.223 -0.023 0.000 2.476 404 L HA 0.327 4.667 4.340 -0.000 0.000 0.269 404 L C -1.499 175.338 176.870 -0.054 0.000 0.965 404 L CA -0.369 54.456 54.840 -0.025 0.000 0.845 404 L CB 2.224 44.276 42.059 -0.012 0.000 1.259 404 L HN 0.082 nan 8.230 nan 0.000 0.403 405 E N 3.534 123.688 120.200 -0.076 0.000 2.259 405 E HA 0.422 4.772 4.350 -0.000 0.000 0.281 405 E C -1.057 175.372 176.600 -0.286 0.000 1.027 405 E CA -0.592 55.680 56.400 -0.213 0.000 0.838 405 E CB 2.030 31.580 29.700 -0.250 0.000 1.066 405 E HN 0.337 nan 8.360 nan 0.000 0.401 406 V N 5.354 125.064 119.914 -0.340 0.000 2.350 406 V HA 0.282 4.402 4.120 -0.000 0.000 0.276 406 V C -0.571 175.362 176.094 -0.267 0.000 1.028 406 V CA -0.321 61.876 62.300 -0.172 0.000 0.860 406 V CB -0.094 31.688 31.823 -0.068 0.000 0.990 406 V HN 0.499 nan 8.190 nan 0.000 0.453 407 F N 3.824 123.854 119.950 0.133 0.000 2.525 407 F HA 0.811 5.338 4.527 -0.000 0.000 0.346 407 F C 0.198 176.113 175.800 0.190 0.000 1.072 407 F CA -0.944 57.184 58.000 0.213 0.000 1.033 407 F CB 1.632 40.826 39.000 0.322 0.000 1.324 407 F HN 0.135 nan 8.300 nan 0.000 0.491 408 V N 0.369 120.519 119.914 0.392 0.000 2.851 408 V HA 0.414 4.534 4.120 -0.000 0.000 0.307 408 V C -1.528 174.706 176.094 0.234 0.000 1.129 408 V CA -0.716 61.739 62.300 0.259 0.000 0.932 408 V CB 2.170 34.124 31.823 0.219 0.000 1.024 408 V HN 0.868 nan 8.190 nan 0.000 0.426 409 D N 1.609 122.115 120.400 0.177 0.000 2.744 409 D HA 0.824 5.463 4.640 -0.000 0.000 0.304 409 D C -0.082 176.295 176.300 0.128 0.000 1.179 409 D CA -0.186 53.885 54.000 0.117 0.000 1.024 409 D CB 1.723 42.559 40.800 0.060 0.000 1.453 409 D HN 1.347 nan 8.370 nan 0.000 0.529 410 G N -1.923 106.939 108.800 0.103 0.000 3.445 410 G HA2 0.461 4.421 3.960 -0.000 0.000 0.686 410 G HA3 0.461 4.421 3.960 -0.000 0.000 0.686 410 G C 0.724 175.741 174.900 0.196 0.000 1.113 410 G CA 0.240 45.416 45.100 0.127 0.000 0.974 410 G HN 1.841 nan 8.290 nan 0.000 0.492 411 G N -0.664 108.227 108.800 0.152 0.000 2.153 411 G HA2 0.013 3.972 3.960 -0.000 0.000 0.252 411 G HA3 0.013 3.972 3.960 -0.000 0.000 0.252 411 G C 0.610 175.605 174.900 0.157 0.000 0.994 411 G CA 0.741 45.947 45.100 0.177 0.000 0.698 411 G HN 1.909 nan 8.290 nan 0.000 0.521 412 V N 1.262 121.187 119.914 0.018 0.000 2.389 412 V HA 0.436 4.556 4.120 -0.000 0.000 0.264 412 V C 1.282 177.245 176.094 -0.218 0.000 1.049 412 V CA -0.080 62.126 62.300 -0.156 0.000 0.932 412 V CB 1.187 32.920 31.823 -0.150 0.000 1.011 412 V HN 0.379 nan 8.190 nan 0.000 0.475 413 R N 3.615 123.966 120.500 -0.248 0.000 2.435 413 R HA 0.342 4.681 4.340 -0.000 0.000 0.221 413 R C 0.514 176.617 176.300 -0.328 0.000 0.885 413 R CA 0.027 55.900 56.100 -0.378 0.000 1.018 413 R CB 0.768 30.745 30.300 -0.537 0.000 1.259 413 R HN 0.496 nan 8.270 nan 0.000 0.597 414 R N -0.851 119.540 120.500 -0.182 0.000 2.919 414 R HA 0.428 4.768 4.340 -0.000 0.000 0.260 414 R C 1.019 177.254 176.300 -0.109 0.000 1.067 414 R CA -0.259 55.767 56.100 -0.124 0.000 1.003 414 R CB 0.878 31.170 30.300 -0.012 0.000 1.192 414 R HN 0.002 nan 8.270 nan 0.000 0.488 415 G N -0.188 108.573 108.800 -0.065 0.000 2.422 415 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 415 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 415 G C 1.215 176.127 174.900 0.021 0.000 1.140 415 G CA 1.342 46.427 45.100 -0.025 0.000 0.775 415 G HN 0.679 nan 8.290 nan 0.000 0.545 416 T N -1.353 113.236 114.554 0.058 0.000 3.072 416 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 416 T C 1.597 176.356 174.700 0.099 0.000 1.127 416 T CA 1.247 63.457 62.100 0.184 0.000 1.107 416 T CB -0.006 69.023 68.868 0.269 0.000 0.910 416 T HN 0.118 nan 8.240 nan 0.000 0.513 417 D N 1.614 121.957 120.400 -0.096 0.000 2.103 417 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 417 D C 2.348 178.521 176.300 -0.212 0.000 0.978 417 D CA 0.725 54.484 54.000 -0.402 0.000 0.829 417 D CB -0.495 39.840 40.800 -0.775 0.000 0.981 417 D HN 0.304 nan 8.370 nan 0.000 0.464 418 V N 1.521 121.375 119.914 -0.099 0.000 2.332 418 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 418 V C 2.665 178.819 176.094 0.100 0.000 1.055 418 V CA 1.169 63.483 62.300 0.022 0.000 1.038 418 V CB -0.482 31.378 31.823 0.063 0.000 0.651 418 V HN 0.227 nan 8.190 nan 0.000 0.450 419 L N -0.612 120.687 121.223 0.126 0.000 2.093 419 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 419 L C 2.567 179.582 176.870 0.241 0.000 1.085 419 L CA 1.634 56.578 54.840 0.173 0.000 0.755 419 L CB -0.571 41.592 42.059 0.173 0.000 0.904 419 L HN 0.340 nan 8.230 nan 0.000 0.435 420 K N -0.104 120.454 120.400 0.262 0.000 2.147 420 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 420 K C 2.132 178.864 176.600 0.220 0.000 1.049 420 K CA 1.260 57.691 56.287 0.239 0.000 0.936 420 K CB -0.103 32.524 32.500 0.211 0.000 0.722 420 K HN 0.276 nan 8.250 nan 0.000 0.446 421 A N 0.817 123.772 122.820 0.225 0.000 1.935 421 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 421 A C 2.017 179.687 177.584 0.144 0.000 1.178 421 A CA 0.768 52.927 52.037 0.203 0.000 0.640 421 A CB -0.353 18.779 19.000 0.221 0.000 0.825 421 A HN 0.103 nan 8.150 nan 0.000 0.447 422 L N -0.666 120.638 121.223 0.135 0.000 2.056 422 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 422 L C 2.679 179.605 176.870 0.093 0.000 1.078 422 L CA 1.151 56.052 54.840 0.103 0.000 0.749 422 L CB -0.848 41.271 42.059 0.099 0.000 0.901 422 L HN 0.446 nan 8.230 nan 0.000 0.433 423 C N 0.121 119.491 119.300 0.116 0.000 2.401 423 C HA -0.183 4.277 4.460 -0.000 0.000 0.276 423 C C 2.704 177.747 174.990 0.089 0.000 1.233 423 C CA 0.663 59.746 59.018 0.109 0.000 1.753 423 C CB -0.921 26.911 27.740 0.152 0.000 2.029 423 C HN 0.442 nan 8.230 nan 0.000 0.478 424 L N -0.004 121.274 121.223 0.093 0.000 2.376 424 L HA 0.118 4.458 4.340 -0.000 0.000 0.219 424 L C 2.074 178.975 176.870 0.051 0.000 1.133 424 L CA 1.400 56.282 54.840 0.069 0.000 0.816 424 L CB -0.392 41.709 42.059 0.070 0.000 0.933 424 L HN 0.648 nan 8.230 nan 0.000 0.449 425 G N -1.396 107.432 108.800 0.047 0.000 2.551 425 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.186 425 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.186 425 G C 0.351 175.249 174.900 -0.002 0.000 1.002 425 G CA -0.223 44.889 45.100 0.020 0.000 0.723 425 G HN 0.341 nan 8.290 nan 0.000 0.481 426 A N 0.597 123.429 122.820 0.020 0.000 2.488 426 A HA 0.614 4.934 4.320 -0.000 0.000 0.249 426 A C 1.264 178.823 177.584 -0.042 0.000 1.083 426 A CA 1.351 53.382 52.037 -0.010 0.000 0.768 426 A CB 0.600 19.646 19.000 0.077 0.000 1.017 426 A HN 0.355 nan 8.150 nan 0.000 0.496 427 K N 1.453 121.740 120.400 -0.189 0.000 2.209 427 K HA 0.081 4.401 4.320 -0.000 0.000 0.204 427 K C 0.751 177.365 176.600 0.023 0.000 1.048 427 K CA 1.497 57.677 56.287 -0.178 0.000 0.940 427 K CB 0.009 32.221 32.500 -0.480 0.000 0.729 427 K HN 1.040 nan 8.250 nan 0.000 0.451 428 G N -1.640 107.256 108.800 0.160 0.000 2.616 428 G HA2 0.452 4.412 3.960 -0.000 0.000 0.294 428 G HA3 0.452 4.412 3.960 -0.000 0.000 0.294 428 G C -1.923 173.285 174.900 0.514 0.000 1.489 428 G CA -0.749 44.632 45.100 0.467 0.000 0.836 428 G HN -0.097 nan 8.290 nan 0.000 0.527 429 V N 0.113 120.236 119.914 0.349 0.000 2.604 429 V HA 0.859 4.979 4.120 -0.000 0.000 0.305 429 V C 0.755 176.718 176.094 -0.219 0.000 1.043 429 V CA -0.089 62.307 62.300 0.160 0.000 0.888 429 V CB 1.854 33.756 31.823 0.132 0.000 0.995 429 V HN 1.201 nan 8.190 nan 0.000 0.429 430 G N 3.428 111.983 108.800 -0.407 0.000 2.400 430 G HA2 0.714 4.674 3.960 -0.000 0.000 0.333 430 G HA3 0.714 4.674 3.960 -0.000 0.000 0.333 430 G C -1.513 173.205 174.900 -0.303 0.000 1.143 430 G CA -0.474 44.097 45.100 -0.882 0.000 0.914 430 G HN 0.469 nan 8.290 nan 0.000 0.480 431 L N 1.242 122.350 121.223 -0.192 0.000 2.385 431 L HA 0.618 4.958 4.340 -0.000 0.000 0.273 431 L C 1.041 177.911 176.870 0.001 0.000 0.990 431 L CA -0.126 54.674 54.840 -0.068 0.000 0.821 431 L CB 2.340 44.370 42.059 -0.048 0.000 1.279 431 L HN 0.707 nan 8.230 nan 0.000 0.412 432 G N 1.190 109.945 108.800 -0.075 0.000 2.808 432 G HA2 0.041 4.001 3.960 -0.000 0.000 0.210 432 G HA3 0.041 4.001 3.960 -0.000 0.000 0.210 432 G C 1.367 176.149 174.900 -0.196 0.000 1.177 432 G CA -0.013 45.029 45.100 -0.096 0.000 0.853 432 G HN 0.500 nan 8.290 nan 0.000 0.625 433 R N 0.731 121.073 120.500 -0.263 0.000 2.081 433 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 433 R C -0.272 175.704 176.300 -0.539 0.000 1.131 433 R CA 1.675 57.505 56.100 -0.450 0.000 0.960 433 R CB -0.694 29.412 30.300 -0.325 0.000 0.856 433 R HN 0.303 nan 8.270 nan 0.000 0.436 434 P HA -0.133 nan 4.420 nan 0.000 0.216 434 P C 0.663 177.625 177.300 -0.564 0.000 1.153 434 P CA 1.260 64.118 63.100 -0.403 0.000 0.848 434 P CB -0.025 31.360 31.700 -0.526 0.000 0.787 435 F N -1.188 118.610 119.950 -0.253 0.000 2.269 435 F HA -0.091 4.436 4.527 -0.000 0.000 0.301 435 F C 2.167 177.784 175.800 -0.305 0.000 1.082 435 F CA 0.970 58.810 58.000 -0.265 0.000 1.360 435 F CB -1.417 37.458 39.000 -0.210 0.000 1.041 435 F HN -0.148 nan 8.300 nan 0.000 0.512 436 L N -1.888 119.145 121.223 -0.317 0.000 2.109 436 L HA -0.196 4.143 4.340 -0.000 0.000 0.207 436 L C 2.218 178.902 176.870 -0.310 0.000 1.086 436 L CA 0.861 55.435 54.840 -0.444 0.000 0.760 436 L CB -0.638 40.915 42.059 -0.844 0.000 0.910 436 L HN 0.079 nan 8.230 nan 0.000 0.437 437 Y N -0.278 119.964 120.300 -0.096 0.000 2.220 437 Y HA -0.085 4.465 4.550 -0.000 0.000 0.291 437 Y C 2.623 178.492 175.900 -0.051 0.000 1.129 437 Y CA 0.470 58.590 58.100 0.033 0.000 1.161 437 Y CB -1.191 37.360 38.460 0.152 0.000 0.997 437 Y HN 0.081 nan 8.280 nan 0.000 0.522 438 A N 0.619 123.330 122.820 -0.181 0.000 1.851 438 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 438 A C 2.286 179.760 177.584 -0.182 0.000 1.195 438 A CA 2.056 53.705 52.037 -0.647 0.000 0.622 438 A CB -1.205 17.116 19.000 -1.132 0.000 0.831 438 A HN 0.592 nan 8.150 nan 0.000 0.444 439 N N -0.444 118.190 118.700 -0.109 0.000 2.205 439 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 439 N C 1.762 177.282 175.510 0.017 0.000 1.015 439 N CA 1.543 54.576 53.050 -0.029 0.000 0.862 439 N CB -0.055 38.410 38.487 -0.036 0.000 0.986 439 N HN 0.417 nan 8.380 nan 0.000 0.429 440 S N -0.189 115.538 115.700 0.046 0.000 2.368 440 S HA -0.070 4.399 4.470 -0.000 0.000 0.224 440 S C 2.093 176.720 174.600 0.045 0.000 1.029 440 S CA 0.951 59.210 58.200 0.098 0.000 0.988 440 S CB -0.093 63.240 63.200 0.223 0.000 0.838 440 S HN 0.549 nan 8.310 nan 0.000 0.462 441 C N -0.868 118.441 119.300 0.014 0.000 2.512 441 C HA 0.235 4.694 4.460 -0.000 0.000 0.276 441 C C 1.225 176.005 174.990 -0.350 0.000 1.368 441 C CA -0.168 58.734 59.018 -0.193 0.000 1.755 441 C CB -1.062 26.496 27.740 -0.304 0.000 2.008 441 C HN 0.596 nan 8.230 nan 0.000 0.511 442 Y N 0.551 120.886 120.300 0.058 0.000 2.738 442 Y HA 0.420 4.970 4.550 -0.000 0.000 0.249 442 Y C 1.531 177.443 175.900 0.020 0.000 1.157 442 Y CA 0.313 58.446 58.100 0.055 0.000 1.189 442 Y CB -0.384 38.137 38.460 0.100 0.000 1.262 442 Y HN 0.358 nan 8.280 nan 0.000 0.554 443 G N 1.762 110.625 108.800 0.104 0.000 2.581 443 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.291 443 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.291 443 G C 1.112 176.043 174.900 0.052 0.000 1.277 443 G CA 0.944 46.083 45.100 0.064 0.000 0.959 443 G HN 0.464 nan 8.290 nan 0.000 0.554 444 R N 0.163 120.685 120.500 0.036 0.000 2.115 444 R HA 0.096 4.436 4.340 -0.000 0.000 0.226 444 R C 2.024 178.339 176.300 0.025 0.000 1.100 444 R CA 1.945 58.055 56.100 0.017 0.000 0.980 444 R CB -0.781 29.522 30.300 0.004 0.000 0.875 444 R HN 0.424 nan 8.270 nan 0.000 0.445 445 N N 0.778 119.507 118.700 0.048 0.000 2.309 445 N HA -0.053 4.686 4.740 -0.000 0.000 0.182 445 N C 1.792 177.326 175.510 0.040 0.000 1.018 445 N CA 1.496 54.571 53.050 0.041 0.000 0.876 445 N CB -0.544 37.971 38.487 0.047 0.000 0.972 445 N HN 0.521 nan 8.380 nan 0.000 0.434 446 G N 0.787 109.632 108.800 0.076 0.000 2.440 446 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 446 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 446 G C 1.675 176.519 174.900 -0.094 0.000 1.154 446 G CA 0.751 45.850 45.100 -0.001 0.000 0.767 446 G HN 0.207 nan 8.290 nan 0.000 0.552 447 V N 0.403 120.298 119.914 -0.031 0.000 2.427 447 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 447 V C 2.597 178.717 176.094 0.044 0.000 1.051 447 V CA 1.950 64.261 62.300 0.019 0.000 1.048 447 V CB -0.200 31.611 31.823 -0.020 0.000 0.666 447 V HN 0.448 nan 8.190 nan 0.000 0.456 448 E N 0.247 120.463 120.200 0.025 0.000 2.106 448 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 448 E C 2.224 178.870 176.600 0.077 0.000 0.984 448 E CA 1.209 57.633 56.400 0.040 0.000 0.806 448 E CB 0.079 29.791 29.700 0.021 0.000 0.750 448 E HN 0.416 nan 8.360 nan 0.000 0.458 449 K N 0.883 121.332 120.400 0.082 0.000 2.057 449 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 449 K C 1.742 178.455 176.600 0.188 0.000 1.050 449 K CA 1.455 57.816 56.287 0.122 0.000 0.935 449 K CB -0.458 32.129 32.500 0.146 0.000 0.715 449 K HN 0.097 nan 8.250 nan 0.000 0.439 450 A N 0.626 123.569 122.820 0.204 0.000 1.898 450 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 450 A C 2.259 179.980 177.584 0.228 0.000 1.181 450 A CA 1.612 53.788 52.037 0.231 0.000 0.620 450 A CB -0.660 18.373 19.000 0.055 0.000 0.819 450 A HN 0.336 nan 8.150 nan 0.000 0.442 451 I N -0.103 120.647 120.570 0.301 0.000 2.208 451 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 451 I C 2.493 178.759 176.117 0.248 0.000 1.097 451 I CA 1.797 63.293 61.300 0.327 0.000 1.363 451 I CB -0.459 37.701 38.000 0.266 0.000 1.051 451 I HN 0.438 nan 8.210 nan 0.000 0.413 452 E N 0.757 121.052 120.200 0.160 0.000 2.077 452 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 452 E C 2.312 178.965 176.600 0.088 0.000 0.989 452 E CA 1.254 57.723 56.400 0.115 0.000 0.800 452 E CB -0.161 29.586 29.700 0.078 0.000 0.746 452 E HN 0.485 nan 8.360 nan 0.000 0.452 453 I N 0.696 121.309 120.570 0.072 0.000 2.163 453 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 453 I C 2.374 178.487 176.117 -0.006 0.000 1.085 453 I CA 0.829 62.143 61.300 0.023 0.000 1.347 453 I CB -0.043 37.968 38.000 0.018 0.000 1.044 453 I HN 0.111 nan 8.210 nan 0.000 0.408 454 L N 0.323 121.525 121.223 -0.036 0.000 2.131 454 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 454 L C 2.534 179.435 176.870 0.052 0.000 1.087 454 L CA 1.485 56.255 54.840 -0.116 0.000 0.767 454 L CB -0.702 41.100 42.059 -0.429 0.000 0.917 454 L HN 0.096 nan 8.230 nan 0.000 0.441 455 R N -0.219 120.404 120.500 0.206 0.000 2.073 455 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 455 R C 1.701 178.075 176.300 0.124 0.000 1.134 455 R CA 1.948 58.204 56.100 0.260 0.000 0.952 455 R CB -0.480 29.960 30.300 0.233 0.000 0.850 455 R HN 0.360 nan 8.270 nan 0.000 0.433 456 D N 0.750 121.197 120.400 0.079 0.000 2.104 456 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 456 D C 1.871 178.189 176.300 0.030 0.000 0.994 456 D CA 1.340 55.367 54.000 0.044 0.000 0.830 456 D CB -0.248 40.569 40.800 0.028 0.000 0.959 456 D HN 0.425 nan 8.370 nan 0.000 0.452 457 E N 0.021 120.232 120.200 0.019 0.000 2.110 457 E HA -0.128 4.221 4.350 -0.000 0.000 0.193 457 E C 2.342 178.952 176.600 0.016 0.000 0.988 457 E CA 0.467 56.871 56.400 0.006 0.000 0.804 457 E CB -0.021 29.669 29.700 -0.017 0.000 0.745 457 E HN 0.356 nan 8.360 nan 0.000 0.458 458 I N 1.036 121.631 120.570 0.042 0.000 2.202 458 I HA -0.230 3.939 4.170 -0.000 0.000 0.242 458 I C 2.355 178.489 176.117 0.028 0.000 1.091 458 I CA 1.091 62.421 61.300 0.050 0.000 1.368 458 I CB -0.229 37.836 38.000 0.108 0.000 1.058 458 I HN 0.075 nan 8.210 nan 0.000 0.410 459 E N 0.354 120.575 120.200 0.034 0.000 2.077 459 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 459 E C 2.257 178.856 176.600 -0.002 0.000 0.989 459 E CA 1.159 57.570 56.400 0.018 0.000 0.800 459 E CB -0.096 29.617 29.700 0.023 0.000 0.746 459 E HN 0.331 nan 8.360 nan 0.000 0.452 460 M N 0.361 119.960 119.600 -0.001 0.000 2.149 460 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 460 M C 1.938 178.220 176.300 -0.031 0.000 1.064 460 M CA 1.549 56.842 55.300 -0.011 0.000 1.102 460 M CB -0.272 32.326 32.600 -0.004 0.000 1.369 460 M HN -0.084 nan 8.290 nan 0.000 0.408 461 S N -0.546 115.128 115.700 -0.043 0.000 2.548 461 S HA 0.131 4.601 4.470 -0.000 0.000 0.215 461 S C 1.730 176.248 174.600 -0.137 0.000 0.976 461 S CA 0.121 58.264 58.200 -0.095 0.000 0.908 461 S CB 0.089 63.229 63.200 -0.099 0.000 0.781 461 S HN 0.455 nan 8.310 nan 0.000 0.519 462 M N 0.955 120.504 119.600 -0.085 0.000 2.200 462 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 462 M C 2.246 178.501 176.300 -0.074 0.000 1.066 462 M CA 1.194 56.444 55.300 -0.083 0.000 1.127 462 M CB -0.273 32.303 32.600 -0.039 0.000 1.379 462 M HN 0.223 nan 8.290 nan 0.000 0.420 463 R N 0.258 120.726 120.500 -0.054 0.000 2.082 463 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 463 R C 1.954 178.221 176.300 -0.055 0.000 1.136 463 R CA 1.161 57.235 56.100 -0.043 0.000 0.935 463 R CB -0.587 29.696 30.300 -0.028 0.000 0.842 463 R HN 0.238 nan 8.270 nan 0.000 0.430 464 L N 0.953 122.135 121.223 -0.068 0.000 2.362 464 L HA -0.078 4.262 4.340 -0.000 0.000 0.219 464 L C 2.072 178.875 176.870 -0.112 0.000 1.134 464 L CA 1.316 56.112 54.840 -0.073 0.000 0.807 464 L CB -0.684 41.336 42.059 -0.066 0.000 0.927 464 L HN 0.236 nan 8.230 nan 0.000 0.447 465 L N -0.851 120.274 121.223 -0.162 0.000 2.341 465 L HA 0.138 4.478 4.340 -0.000 0.000 0.214 465 L C 1.198 178.009 176.870 -0.099 0.000 1.115 465 L CA 0.722 55.449 54.840 -0.189 0.000 0.820 465 L CB -0.384 41.519 42.059 -0.260 0.000 0.944 465 L HN 0.505 nan 8.230 nan 0.000 0.452 466 G N 1.336 110.093 108.800 -0.071 0.000 2.248 466 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.252 466 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.252 466 G C -0.184 174.695 174.900 -0.034 0.000 1.085 466 G CA 0.137 45.212 45.100 -0.041 0.000 0.845 466 G HN 0.231 nan 8.290 nan 0.000 0.494 467 V N -3.151 116.740 119.914 -0.039 0.000 2.925 467 V HA 0.919 5.039 4.120 -0.000 0.000 0.311 467 V C 0.638 176.721 176.094 -0.019 0.000 1.104 467 V CA 0.115 62.400 62.300 -0.025 0.000 0.954 467 V CB 1.703 33.510 31.823 -0.027 0.000 1.022 467 V HN 1.001 nan 8.190 nan 0.000 0.427 468 T N -1.686 112.863 114.554 -0.008 0.000 3.085 468 T HA 0.440 4.790 4.350 -0.000 0.000 0.264 468 T C 0.480 175.181 174.700 0.003 0.000 1.019 468 T CA 0.445 62.543 62.100 -0.004 0.000 0.910 468 T CB -0.325 68.543 68.868 -0.001 0.000 1.059 468 T HN 1.530 nan 8.240 nan 0.000 0.542 469 S N -0.021 115.682 115.700 0.005 0.000 2.550 469 S HA 0.572 5.042 4.470 -0.000 0.000 0.270 469 S C 0.534 175.143 174.600 0.014 0.000 1.145 469 S CA -0.975 57.232 58.200 0.012 0.000 0.852 469 S CB 0.954 64.164 63.200 0.017 0.000 1.119 469 S HN -0.113 nan 8.310 nan 0.000 0.465 470 I N 1.447 122.028 120.570 0.017 0.000 2.248 470 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 470 I C 2.870 179.002 176.117 0.024 0.000 1.107 470 I CA 2.123 63.437 61.300 0.023 0.000 1.373 470 I CB -2.136 35.878 38.000 0.023 0.000 1.055 470 I HN 0.921 nan 8.210 nan 0.000 0.418 471 A N 0.290 123.123 122.820 0.022 0.000 1.978 471 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 471 A C 2.152 179.748 177.584 0.020 0.000 1.170 471 A CA 1.455 53.505 52.037 0.022 0.000 0.636 471 A CB -0.636 18.377 19.000 0.022 0.000 0.810 471 A HN 0.515 nan 8.150 nan 0.000 0.448 472 E N -0.691 119.519 120.200 0.017 0.000 2.511 472 E HA 0.105 4.455 4.350 -0.000 0.000 0.196 472 E C -0.465 176.146 176.600 0.018 0.000 1.066 472 E CA -0.306 56.102 56.400 0.015 0.000 0.871 472 E CB -0.101 29.604 29.700 0.008 0.000 0.863 472 E HN 0.560 nan 8.360 nan 0.000 0.520 473 L N 2.094 123.332 121.223 0.024 0.000 2.369 473 L HA 0.178 4.518 4.340 -0.000 0.000 0.279 473 L C 0.243 177.139 176.870 0.043 0.000 1.108 473 L CA 0.372 55.233 54.840 0.035 0.000 0.852 473 L CB 0.430 42.515 42.059 0.044 0.000 1.169 473 L HN -0.131 nan 8.230 nan 0.000 0.452 474 K N 4.456 124.885 120.400 0.049 0.000 2.444 474 K HA 0.427 4.747 4.320 -0.000 0.000 0.252 474 K C -1.940 174.698 176.600 0.063 0.000 0.993 474 K CA -1.630 54.686 56.287 0.049 0.000 0.847 474 K CB 2.238 34.760 32.500 0.037 0.000 1.340 474 K HN 0.111 nan 8.250 nan 0.000 0.446 475 P HA -0.113 nan 4.420 nan 0.000 0.237 475 P C -0.088 177.255 177.300 0.071 0.000 1.178 475 P CA 1.018 64.160 63.100 0.069 0.000 0.766 475 P CB 0.030 31.763 31.700 0.055 0.000 0.876 476 D N -0.492 119.944 120.400 0.060 0.000 2.400 476 D HA -0.011 4.629 4.640 -0.000 0.000 0.243 476 D C 0.840 177.183 176.300 0.073 0.000 1.184 476 D CA -0.170 53.864 54.000 0.058 0.000 0.853 476 D CB 0.018 40.844 40.800 0.043 0.000 0.944 476 D HN 0.086 nan 8.370 nan 0.000 0.501 477 L N -0.069 121.214 121.223 0.099 0.000 2.966 477 L HA 0.348 4.688 4.340 -0.000 0.000 0.262 477 L C -0.046 176.954 176.870 0.217 0.000 1.165 477 L CA 0.067 54.982 54.840 0.125 0.000 0.978 477 L CB 0.386 42.504 42.059 0.099 0.000 1.337 477 L HN 0.060 nan 8.230 nan 0.000 0.563 478 L N -0.281 121.053 121.223 0.186 0.000 2.331 478 L HA 0.407 4.747 4.340 -0.000 0.000 0.275 478 L C -0.617 176.329 176.870 0.127 0.000 1.022 478 L CA -0.797 54.152 54.840 0.182 0.000 0.812 478 L CB 1.679 43.813 42.059 0.126 0.000 1.257 478 L HN -0.102 nan 8.230 nan 0.000 0.435 479 D N 2.440 122.913 120.400 0.121 0.000 2.359 479 D HA 0.266 4.906 4.640 -0.000 0.000 0.230 479 D C 0.061 176.406 176.300 0.074 0.000 1.118 479 D CA -0.012 54.046 54.000 0.098 0.000 0.844 479 D CB 1.060 41.935 40.800 0.124 0.000 1.059 479 D HN 0.383 nan 8.370 nan 0.000 0.493 480 L N 2.852 124.106 121.223 0.052 0.000 2.769 480 L HA 0.083 4.422 4.340 -0.000 0.000 0.240 480 L C 1.665 178.550 176.870 0.025 0.000 1.163 480 L CA -0.032 54.831 54.840 0.039 0.000 0.962 480 L CB 0.114 42.194 42.059 0.035 0.000 1.258 480 L HN 0.386 nan 8.230 nan 0.000 0.513 481 S N -2.325 113.386 115.700 0.019 0.000 2.561 481 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 481 S C 1.338 175.935 174.600 -0.004 0.000 0.977 481 S CA 0.683 58.886 58.200 0.004 0.000 0.926 481 S CB -0.394 62.801 63.200 -0.007 0.000 0.769 481 S HN 0.461 nan 8.310 nan 0.000 0.533 482 T N -1.729 112.826 114.554 0.002 0.000 3.337 482 T HA 0.410 4.759 4.350 -0.000 0.000 0.299 482 T C 0.958 175.666 174.700 0.012 0.000 0.998 482 T CA -0.482 61.617 62.100 -0.002 0.000 0.948 482 T CB -0.239 68.617 68.868 -0.020 0.000 1.170 482 T HN 0.218 nan 8.240 nan 0.000 0.508 483 L N 0.469 121.699 121.223 0.011 0.000 2.042 483 L HA 0.076 4.416 4.340 -0.000 0.000 0.210 483 L C 1.881 178.749 176.870 -0.004 0.000 1.076 483 L CA 1.385 56.227 54.840 0.004 0.000 0.749 483 L CB -0.089 41.969 42.059 -0.001 0.000 0.893 483 L HN 0.190 nan 8.230 nan 0.000 0.432 484 K N 0.154 120.554 120.400 -0.001 0.000 2.596 484 K HA 0.192 4.512 4.320 -0.000 0.000 0.211 484 K C -0.080 176.521 176.600 0.001 0.000 1.046 484 K CA 0.090 56.376 56.287 -0.001 0.000 1.202 484 K CB 0.150 32.650 32.500 0.001 0.000 0.925 484 K HN 0.204 nan 8.250 nan 0.000 0.486 485 A N 1.281 124.103 122.820 0.002 0.000 3.158 485 A HA 0.214 4.534 4.320 -0.000 0.000 0.319 485 A C -0.385 177.203 177.584 0.007 0.000 1.204 485 A CA -0.565 51.474 52.037 0.003 0.000 0.992 485 A CB -0.173 18.826 19.000 -0.000 0.000 1.110 485 A HN 0.224 nan 8.150 nan 0.000 0.519 486 R N 2.029 122.534 120.500 0.008 0.000 2.391 486 R HA 0.263 4.602 4.340 -0.000 0.000 0.310 486 R C -0.332 175.979 176.300 0.018 0.000 1.174 486 R CA 0.354 56.461 56.100 0.012 0.000 1.118 486 R CB 0.097 30.405 30.300 0.013 0.000 1.134 486 R HN 0.568 nan 8.270 nan 0.000 0.524 487 T N -0.655 113.909 114.554 0.017 0.000 2.944 487 T HA 0.508 4.858 4.350 -0.000 0.000 0.284 487 T C -0.165 174.550 174.700 0.025 0.000 1.010 487 T CA -0.680 61.430 62.100 0.017 0.000 1.025 487 T CB 1.981 70.855 68.868 0.010 0.000 1.079 487 T HN 0.127 nan 8.240 nan 0.000 0.516 488 V N 1.561 121.489 119.914 0.023 0.000 2.447 488 V HA 0.665 4.785 4.120 -0.000 0.000 0.292 488 V C 0.881 176.983 176.094 0.014 0.000 1.021 488 V CA -0.805 61.511 62.300 0.027 0.000 0.850 488 V CB 1.149 32.992 31.823 0.033 0.000 1.005 488 V HN 1.285 nan 8.190 nan 0.000 0.426 489 G N 2.462 111.270 108.800 0.012 0.000 2.562 489 G HA2 0.539 4.499 3.960 -0.000 0.000 0.275 489 G HA3 0.539 4.499 3.960 -0.000 0.000 0.275 489 G C 0.027 174.928 174.900 0.002 0.000 1.196 489 G CA -0.218 44.884 45.100 0.004 0.000 0.908 489 G HN 1.026 nan 8.290 nan 0.000 0.524 490 V N -0.120 119.790 119.914 -0.006 0.000 2.881 490 V HA 0.503 4.623 4.120 -0.000 0.000 0.303 490 V C -1.524 174.568 176.094 -0.004 0.000 1.070 490 V CA -1.522 60.773 62.300 -0.008 0.000 1.074 490 V CB 0.697 32.511 31.823 -0.016 0.000 1.012 490 V HN 0.692 nan 8.190 nan 0.000 0.482 491 P HA 0.164 nan 4.420 nan 0.000 0.267 491 P C -0.689 176.613 177.300 0.003 0.000 1.200 491 P CA 0.007 63.111 63.100 0.005 0.000 0.772 491 P CB 0.437 32.141 31.700 0.007 0.000 0.855 492 N N 0.779 119.486 118.700 0.011 0.000 2.457 492 N HA 0.081 4.821 4.740 -0.000 0.000 0.290 492 N C -0.752 174.775 175.510 0.027 0.000 1.232 492 N CA -0.521 52.535 53.050 0.010 0.000 0.852 492 N CB 1.439 39.932 38.487 0.011 0.000 1.313 492 N HN 0.390 nan 8.380 nan 0.000 0.522 493 D N 1.612 122.031 120.400 0.031 0.000 2.398 493 D HA -0.015 4.625 4.640 -0.000 0.000 0.250 493 D C 1.394 177.752 176.300 0.095 0.000 1.287 493 D CA -0.047 53.986 54.000 0.055 0.000 0.992 493 D CB 0.196 41.012 40.800 0.027 0.000 1.071 493 D HN 0.350 nan 8.370 nan 0.000 0.514 494 V N 3.932 123.887 119.914 0.069 0.000 2.759 494 V HA -0.136 3.983 4.120 -0.000 0.000 0.256 494 V C 1.821 177.962 176.094 0.077 0.000 1.080 494 V CA 1.106 63.446 62.300 0.068 0.000 1.101 494 V CB -0.370 31.481 31.823 0.046 0.000 0.698 494 V HN 0.542 nan 8.190 nan 0.000 0.477 495 L N -1.360 119.915 121.223 0.088 0.000 2.131 495 L HA -0.018 4.322 4.340 -0.000 0.000 0.206 495 L C 2.504 179.443 176.870 0.115 0.000 1.087 495 L CA 1.977 56.867 54.840 0.084 0.000 0.767 495 L CB -0.555 41.549 42.059 0.076 0.000 0.917 495 L HN 0.484 nan 8.230 nan 0.000 0.441 496 Y N 1.300 121.615 120.300 0.025 0.000 2.153 496 Y HA -0.207 4.343 4.550 -0.000 0.000 0.289 496 Y C 2.227 178.161 175.900 0.058 0.000 1.127 496 Y CA 2.005 60.124 58.100 0.032 0.000 1.131 496 Y CB -0.250 38.215 38.460 0.008 0.000 0.995 496 Y HN 0.206 nan 8.280 nan 0.000 0.505 497 N N -0.447 118.367 118.700 0.190 0.000 2.331 497 N HA -0.152 4.588 4.740 -0.000 0.000 0.180 497 N C 1.531 177.083 175.510 0.071 0.000 1.019 497 N CA 0.753 53.877 53.050 0.124 0.000 0.881 497 N CB -0.109 38.461 38.487 0.138 0.000 0.972 497 N HN 0.249 nan 8.380 nan 0.000 0.435 498 E N 0.960 121.190 120.200 0.051 0.000 2.110 498 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 498 E C 1.711 178.312 176.600 0.002 0.000 0.988 498 E CA 0.876 57.293 56.400 0.028 0.000 0.804 498 E CB 0.034 29.750 29.700 0.025 0.000 0.745 498 E HN 0.351 nan 8.360 nan 0.000 0.458 499 V N -1.325 118.574 119.914 -0.024 0.000 3.649 499 V HA 0.171 4.290 4.120 -0.000 0.000 0.275 499 V C 0.568 176.620 176.094 -0.071 0.000 1.281 499 V CA -0.200 62.068 62.300 -0.054 0.000 1.143 499 V CB -1.114 30.670 31.823 -0.065 0.000 0.892 499 V HN 0.146 nan 8.190 nan 0.000 0.441 500 Y N 2.237 122.426 120.300 -0.186 0.000 2.299 500 Y HA 0.566 5.116 4.550 -0.000 0.000 0.326 500 Y C 0.187 176.029 175.900 -0.098 0.000 1.164 500 Y CA -0.919 57.067 58.100 -0.191 0.000 1.234 500 Y CB 0.911 39.236 38.460 -0.224 0.000 1.219 500 Y HN 0.376 nan 8.280 nan 0.000 0.497 501 E N 3.411 123.105 120.200 -0.843 0.000 2.171 501 E HA 0.465 4.815 4.350 -0.000 0.000 0.271 501 E C -0.191 175.817 176.600 -0.988 0.000 0.916 501 E CA -0.775 55.243 56.400 -0.637 0.000 0.774 501 E CB 1.552 31.034 29.700 -0.363 0.000 1.128 501 E HN 0.900 nan 8.360 nan 0.000 0.403 502 G N 2.835 111.329 108.800 -0.509 0.000 2.621 502 G HA2 0.327 4.287 3.960 -0.000 0.000 0.271 502 G HA3 0.327 4.287 3.960 -0.000 0.000 0.271 502 G C -2.046 172.763 174.900 -0.152 0.000 1.236 502 G CA -0.911 44.046 45.100 -0.237 0.000 0.958 502 G HN 0.316 nan 8.290 nan 0.000 0.512 503 P HA 0.236 nan 4.420 nan 0.000 0.269 503 P C 0.162 177.442 177.300 -0.033 0.000 1.217 503 P CA -0.020 63.062 63.100 -0.030 0.000 0.783 503 P CB 0.590 32.294 31.700 0.006 0.000 0.898 504 T N -1.303 113.230 114.554 -0.036 0.000 2.942 504 T HA 0.683 5.033 4.350 -0.000 0.000 0.289 504 T C 0.002 174.682 174.700 -0.033 0.000 1.044 504 T CA -0.954 61.126 62.100 -0.034 0.000 1.023 504 T CB 0.633 69.477 68.868 -0.041 0.000 1.123 504 T HN 0.100 nan 8.240 nan 0.000 0.512 505 L N 1.313 122.514 121.223 -0.036 0.000 2.448 505 L HA 0.519 4.858 4.340 -0.000 0.000 0.258 505 L C 1.048 177.875 176.870 -0.072 0.000 1.104 505 L CA -1.256 53.553 54.840 -0.051 0.000 0.800 505 L CB 0.593 42.622 42.059 -0.050 0.000 1.241 505 L HN 0.908 nan 8.230 nan 0.000 0.472 506 T N -1.790 112.701 114.554 -0.106 0.000 2.901 506 T HA 0.263 4.613 4.350 -0.000 0.000 0.301 506 T C -0.214 174.383 174.700 -0.171 0.000 1.012 506 T CA -0.886 61.135 62.100 -0.131 0.000 1.135 506 T CB 0.721 69.494 68.868 -0.158 0.000 0.936 506 T HN 0.356 nan 8.240 nan 0.000 0.539 507 E N 1.250 121.380 120.200 -0.117 0.000 2.349 507 E HA 0.469 4.818 4.350 -0.000 0.000 0.265 507 E C -0.312 176.216 176.600 -0.120 0.000 1.064 507 E CA -0.516 55.842 56.400 -0.070 0.000 0.886 507 E CB 0.295 29.987 29.700 -0.013 0.000 1.036 507 E HN 0.567 nan 8.360 nan 0.000 0.413 508 F N 0.884 120.830 119.950 -0.007 0.000 2.440 508 F HA 0.044 4.571 4.527 -0.000 0.000 0.323 508 F C 1.868 177.664 175.800 -0.006 0.000 1.192 508 F CA 0.093 58.090 58.000 -0.006 0.000 1.252 508 F CB 0.513 39.510 39.000 -0.005 0.000 1.214 508 F HN 0.518 nan 8.300 nan 0.000 0.578 509 E N 0.713 121.028 120.200 0.192 0.000 2.160 509 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 509 E C 0.997 177.661 176.600 0.107 0.000 0.991 509 E CA 1.882 58.347 56.400 0.109 0.000 0.810 509 E CB -0.289 29.465 29.700 0.090 0.000 0.742 509 E HN 0.812 nan 8.360 nan 0.000 0.466 510 D N -2.073 118.418 120.400 0.152 0.000 3.222 510 D HA 0.810 5.449 4.640 -0.000 0.000 0.190 510 D C 0.079 176.444 176.300 0.109 0.000 1.235 510 D CA 0.060 54.113 54.000 0.088 0.000 1.213 510 D CB 0.113 nan 40.800 nan 0.000 1.103 510 D HN 0.357 nan 8.370 nan 0.000 0.468 511 A N 0.000 122.814 122.820 -0.010 0.000 2.254 511 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 511 A CA 0.000 52.001 52.037 -0.060 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486