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 2d3u_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AAcRAAKLQD cTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.579 174.600 -0.035 0.000 1.055 1 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 1 S CB 0.000 63.182 63.200 -0.029 0.000 0.593 2 M N 3.360 122.932 119.600 -0.047 0.000 2.228 2 M HA 0.227 4.707 4.480 -0.001 0.000 0.351 2 M C 1.928 178.124 176.300 -0.173 0.000 1.233 2 M CA 0.082 55.342 55.300 -0.068 0.000 1.129 2 M CB 0.630 33.206 32.600 -0.041 0.000 1.604 2 M HN 0.785 nan 8.290 nan 0.000 0.457 3 S N 2.731 118.261 115.700 -0.282 0.000 2.383 3 S HA -0.106 4.363 4.470 -0.001 0.000 0.229 3 S C 0.088 174.231 174.600 -0.761 0.000 1.030 3 S CA 1.034 58.922 58.200 -0.521 0.000 1.002 3 S CB -0.224 62.578 63.200 -0.664 0.000 0.829 3 S HN 0.648 nan 8.310 nan 0.000 0.467 4 Y N 0.596 120.720 120.300 -0.293 0.000 2.571 4 Y HA 0.543 5.092 4.550 -0.001 0.000 0.341 4 Y C -0.331 175.247 175.900 -0.536 0.000 1.076 4 Y CA -1.004 56.782 58.100 -0.522 0.000 1.029 4 Y CB 1.942 39.884 38.460 -0.864 0.000 1.308 4 Y HN 0.091 nan 8.280 nan 0.000 0.461 5 T N -2.099 112.191 114.554 -0.439 0.000 2.841 5 T HA 0.621 4.970 4.350 -0.001 0.000 0.285 5 T C -1.274 173.188 174.700 -0.397 0.000 0.991 5 T CA -0.784 61.151 62.100 -0.274 0.000 0.966 5 T CB 0.761 69.573 68.868 -0.093 0.000 0.962 5 T HN 0.520 nan 8.240 nan 0.000 0.438 6 W N 1.450 122.803 121.300 0.088 0.000 2.578 6 W HA 0.492 5.151 4.660 -0.001 0.000 0.346 6 W C 1.520 178.066 176.519 0.045 0.000 1.075 6 W CA -0.784 56.596 57.345 0.058 0.000 1.233 6 W CB 1.857 31.333 29.460 0.027 0.000 1.358 6 W HN 0.870 nan 8.180 nan 0.000 0.574 7 T N -2.476 112.255 114.554 0.296 0.000 3.051 7 T HA 0.326 4.675 4.350 -0.001 0.000 0.255 7 T C 1.397 176.182 174.700 0.142 0.000 1.085 7 T CA 0.800 63.002 62.100 0.170 0.000 1.109 7 T CB 0.096 69.040 68.868 0.127 0.000 0.921 7 T HN 1.112 nan 8.240 nan 0.000 0.488 8 G N 1.265 110.158 108.800 0.155 0.000 2.284 8 G HA2 0.064 4.023 3.960 -0.001 0.000 0.201 8 G HA3 0.064 4.023 3.960 -0.001 0.000 0.201 8 G C 0.361 175.288 174.900 0.044 0.000 0.998 8 G CA -0.169 44.977 45.100 0.076 0.000 0.651 8 G HN 1.059 nan 8.290 nan 0.000 0.489 9 A N 0.996 123.857 122.820 0.068 0.000 2.498 9 A HA 0.638 4.958 4.320 -0.001 0.000 0.239 9 A C 0.792 178.386 177.584 0.018 0.000 1.068 9 A CA 0.231 52.295 52.037 0.044 0.000 0.766 9 A CB 0.165 19.201 19.000 0.060 0.000 1.003 9 A HN 0.873 nan 8.150 nan 0.000 0.497 10 L N 1.729 122.948 121.223 -0.006 0.000 2.439 10 L HA 0.282 4.622 4.340 -0.001 0.000 0.261 10 L C 0.051 176.905 176.870 -0.026 0.000 1.153 10 L CA -0.254 54.564 54.840 -0.037 0.000 0.808 10 L CB 0.659 42.699 42.059 -0.032 0.000 1.126 10 L HN 0.557 nan 8.230 nan 0.000 0.460 11 I N 1.591 122.128 120.570 -0.056 0.000 2.308 11 I HA 0.087 4.257 4.170 -0.001 0.000 0.293 11 I C 0.494 176.601 176.117 -0.015 0.000 1.078 11 I CA -0.140 61.141 61.300 -0.032 0.000 1.292 11 I CB 0.708 38.669 38.000 -0.065 0.000 1.423 11 I HN 0.649 nan 8.210 nan 0.000 0.493 12 T N 5.008 119.563 114.554 0.002 0.000 2.922 12 T HA 0.504 4.854 4.350 -0.001 0.000 0.285 12 T C -2.333 172.380 174.700 0.021 0.000 1.005 12 T CA -1.909 60.196 62.100 0.009 0.000 1.061 12 T CB 1.469 70.343 68.868 0.009 0.000 1.007 12 T HN 0.267 nan 8.240 nan 0.000 0.502 13 P HA 0.232 nan 4.420 nan 0.000 0.276 13 P C -0.084 177.237 177.300 0.035 0.000 1.244 13 P CA -0.654 62.467 63.100 0.033 0.000 0.801 13 P CB 0.983 32.703 31.700 0.033 0.000 1.006 14 C N 1.515 120.840 119.300 0.042 0.000 2.688 14 C HA 0.705 5.164 4.460 -0.001 0.000 0.297 14 C C 0.325 175.336 174.990 0.035 0.000 1.308 14 C CA 0.533 59.575 59.018 0.040 0.000 1.726 14 C CB -2.090 25.682 27.740 0.053 0.000 1.982 14 C HN 0.754 nan 8.230 nan 0.000 0.604 15 A N -0.313 122.529 122.820 0.036 0.000 2.479 15 A HA 0.572 4.891 4.320 -0.001 0.000 0.297 15 A C -0.492 177.118 177.584 0.043 0.000 0.967 15 A CA 0.013 52.072 52.037 0.037 0.000 0.606 15 A CB -0.803 18.221 19.000 0.040 0.000 1.382 15 A HN 1.353 nan 8.150 nan 0.000 0.457 16 A N 0.166 123.014 122.820 0.046 0.000 2.561 16 A HA 0.493 4.813 4.320 -0.001 0.000 0.234 16 A C 0.159 177.785 177.584 0.070 0.000 1.055 16 A CA 0.955 53.024 52.037 0.054 0.000 0.756 16 A CB -0.301 18.731 19.000 0.052 0.000 0.986 16 A HN 0.640 nan 8.150 nan 0.000 0.505 17 E N 1.310 121.556 120.200 0.077 0.000 2.210 17 E HA 0.365 4.714 4.350 -0.001 0.000 0.266 17 E C -1.042 175.638 176.600 0.133 0.000 0.883 17 E CA -0.467 55.992 56.400 0.099 0.000 0.761 17 E CB 1.871 31.618 29.700 0.078 0.000 1.156 17 E HN 0.756 nan 8.360 nan 0.000 0.412 18 E N 0.958 121.281 120.200 0.205 0.000 2.191 18 E HA 0.160 4.509 4.350 -0.001 0.000 0.278 18 E C 0.199 177.014 176.600 0.357 0.000 0.972 18 E CA -0.194 56.367 56.400 0.268 0.000 0.804 18 E CB 1.512 31.408 29.700 0.327 0.000 1.110 18 E HN 0.559 nan 8.360 nan 0.000 0.394 19 S N 2.205 118.087 115.700 0.303 0.000 2.527 19 S HA 0.120 4.589 4.470 -0.001 0.000 0.227 19 S C 0.483 175.334 174.600 0.417 0.000 1.059 19 S CA -0.159 58.237 58.200 0.326 0.000 0.919 19 S CB 0.235 63.572 63.200 0.228 0.000 0.805 19 S HN 0.126 nan 8.310 nan 0.000 0.500 20 K N 1.731 122.312 120.400 0.301 0.000 2.144 20 K HA 0.509 4.828 4.320 -0.001 0.000 0.270 20 K C -0.735 175.940 176.600 0.125 0.000 1.005 20 K CA -0.716 55.711 56.287 0.233 0.000 0.932 20 K CB 0.772 33.346 32.500 0.123 0.000 1.021 20 K HN 0.247 nan 8.250 nan 0.000 0.462 21 L N 4.435 125.716 121.223 0.096 0.000 2.534 21 L HA 0.159 4.499 4.340 -0.001 0.000 0.271 21 L C -2.297 174.347 176.870 -0.378 0.000 1.178 21 L CA -0.982 53.732 54.840 -0.209 0.000 0.907 21 L CB -0.086 41.972 42.059 -0.001 0.000 1.164 21 L HN 0.490 nan 8.230 nan 0.000 0.482 22 P HA 0.250 nan 4.420 nan 0.000 0.275 22 P C -1.033 176.041 177.300 -0.376 0.000 1.227 22 P CA -0.127 62.697 63.100 -0.460 0.000 0.781 22 P CB 0.676 32.043 31.700 -0.554 0.000 0.906 23 I N 3.189 123.594 120.570 -0.274 0.000 2.433 23 I HA 0.375 4.544 4.170 -0.001 0.000 0.292 23 I C 0.442 176.450 176.117 -0.182 0.000 1.001 23 I CA -0.690 60.448 61.300 -0.269 0.000 1.119 23 I CB 1.340 39.186 38.000 -0.257 0.000 1.289 23 I HN 0.472 nan 8.210 nan 0.000 0.438 24 N N 4.332 122.936 118.700 -0.160 0.000 3.201 24 N HA 0.451 5.190 4.740 -0.001 0.000 0.344 24 N C 0.429 175.892 175.510 -0.078 0.000 1.465 24 N CA -0.487 52.498 53.050 -0.109 0.000 0.731 24 N CB 0.588 39.009 38.487 -0.110 0.000 1.677 24 N HN 0.393 nan 8.380 nan 0.000 0.631 25 A N -0.652 122.133 122.820 -0.058 0.000 2.172 25 A HA 0.138 4.457 4.320 -0.001 0.000 0.216 25 A C 1.726 179.289 177.584 -0.035 0.000 1.154 25 A CA 0.777 52.790 52.037 -0.041 0.000 0.701 25 A CB -0.889 18.090 19.000 -0.036 0.000 0.789 25 A HN 0.542 nan 8.150 nan 0.000 0.465 26 L N -1.391 119.807 121.223 -0.042 0.000 2.513 26 L HA 0.017 4.357 4.340 -0.001 0.000 0.222 26 L C 2.457 179.343 176.870 0.026 0.000 1.096 26 L CA 0.509 55.339 54.840 -0.016 0.000 0.857 26 L CB -0.205 41.824 42.059 -0.050 0.000 1.026 26 L HN 0.227 nan 8.230 nan 0.000 0.469 27 S N 0.765 116.449 115.700 -0.026 0.000 2.368 27 S HA -0.201 4.268 4.470 -0.001 0.000 0.226 27 S C 1.707 176.330 174.600 0.040 0.000 1.044 27 S CA 1.703 59.876 58.200 -0.045 0.000 1.062 27 S CB -0.375 62.696 63.200 -0.214 0.000 0.931 27 S HN 0.477 nan 8.310 nan 0.000 0.440 28 N N 1.489 120.235 118.700 0.076 0.000 2.289 28 N HA -0.077 4.662 4.740 -0.001 0.000 0.184 28 N C 1.936 177.480 175.510 0.056 0.000 1.016 28 N CA 1.361 54.488 53.050 0.127 0.000 0.872 28 N CB -0.495 38.053 38.487 0.101 0.000 0.973 28 N HN 0.615 nan 8.380 nan 0.000 0.433 29 S N 0.336 116.060 115.700 0.040 0.000 2.419 29 S HA -0.088 4.382 4.470 -0.001 0.000 0.233 29 S C 1.913 176.538 174.600 0.041 0.000 1.016 29 S CA 0.530 58.733 58.200 0.005 0.000 0.974 29 S CB -0.287 62.934 63.200 0.035 0.000 0.786 29 S HN 0.204 nan 8.310 nan 0.000 0.492 30 L N 0.880 122.140 121.223 0.063 0.000 2.121 30 L HA 0.469 4.808 4.340 -0.001 0.000 0.200 30 L C 0.058 176.989 176.870 0.102 0.000 1.077 30 L CA 1.002 55.858 54.840 0.027 0.000 0.766 30 L CB -0.340 41.534 42.059 -0.308 0.000 0.931 30 L HN 0.597 nan 8.230 nan 0.000 0.452 31 L N -4.362 116.910 121.223 0.081 0.000 2.469 31 L HA 0.539 4.879 4.340 -0.001 0.000 0.256 31 L C 0.308 177.242 176.870 0.108 0.000 1.006 31 L CA -0.504 54.378 54.840 0.069 0.000 0.832 31 L CB 1.691 43.794 42.059 0.073 0.000 1.421 31 L HN -0.066 nan 8.230 nan 0.000 0.410 32 R N -1.237 119.224 120.500 -0.065 0.000 2.225 32 R HA 0.269 4.609 4.340 -0.001 0.000 0.194 32 R C -0.076 176.058 176.300 -0.277 0.000 0.957 32 R CA 0.211 56.204 56.100 -0.179 0.000 1.042 32 R CB 0.091 30.302 30.300 -0.149 0.000 1.004 32 R HN 0.737 nan 8.270 nan 0.000 0.509 33 H N 0.669 119.672 119.070 -0.112 0.000 2.855 33 H HA 0.091 4.646 4.556 -0.001 0.000 0.238 33 H C 0.402 175.758 175.328 0.046 0.000 1.847 33 H CA -0.323 55.679 56.048 -0.076 0.000 1.368 33 H CB -0.021 29.738 29.762 -0.004 0.000 1.758 33 H HN 0.352 nan 8.280 nan 0.000 0.546 34 H N 0.742 119.903 119.070 0.152 0.000 2.387 34 H HA -0.138 4.417 4.556 -0.001 0.000 0.299 34 H C 1.406 176.809 175.328 0.125 0.000 1.099 34 H CA 0.505 56.618 56.048 0.109 0.000 1.315 34 H CB 0.309 30.110 29.762 0.065 0.000 1.380 34 H HN 0.533 nan 8.280 nan 0.000 0.513 35 N N 0.386 119.215 118.700 0.214 0.000 2.571 35 N HA -0.069 4.670 4.740 -0.001 0.000 0.189 35 N C 1.219 176.830 175.510 0.168 0.000 1.154 35 N CA 0.555 53.702 53.050 0.161 0.000 0.907 35 N CB 0.151 38.692 38.487 0.089 0.000 0.977 35 N HN 0.443 nan 8.380 nan 0.000 0.449 36 M N -0.020 119.701 119.600 0.201 0.000 2.447 36 M HA 0.098 4.577 4.480 -0.001 0.000 0.264 36 M C 0.374 176.852 176.300 0.298 0.000 1.095 36 M CA 0.393 55.818 55.300 0.209 0.000 1.125 36 M CB 0.006 32.727 32.600 0.203 0.000 1.389 36 M HN -0.257 nan 8.290 nan 0.000 0.459 37 V N 1.370 121.470 119.914 0.310 0.000 2.532 37 V HA 0.354 4.474 4.120 -0.001 0.000 0.295 37 V C -0.667 175.705 176.094 0.463 0.000 1.041 37 V CA -0.706 61.804 62.300 0.350 0.000 0.926 37 V CB 1.039 33.032 31.823 0.283 0.000 0.992 37 V HN 0.406 nan 8.190 nan 0.000 0.457 38 Y N 1.981 122.438 120.300 0.261 0.000 2.638 38 Y HA 0.894 5.443 4.550 -0.001 0.000 0.335 38 Y C -0.558 175.435 175.900 0.156 0.000 1.155 38 Y CA -1.543 56.719 58.100 0.270 0.000 1.046 38 Y CB 1.293 39.869 38.460 0.193 0.000 1.303 38 Y HN 0.738 nan 8.280 nan 0.000 0.460 39 A N 1.339 124.182 122.820 0.039 0.000 2.350 39 A HA 0.730 5.049 4.320 -0.001 0.000 0.324 39 A C -0.153 177.452 177.584 0.034 0.000 1.118 39 A CA -0.369 51.484 52.037 -0.306 0.000 0.783 39 A CB 0.590 19.203 19.000 -0.646 0.000 1.236 39 A HN 1.125 nan 8.150 nan 0.000 0.457 40 T N -0.086 114.483 114.554 0.025 0.000 2.899 40 T HA 0.618 4.967 4.350 -0.001 0.000 0.295 40 T C 0.346 175.094 174.700 0.081 0.000 1.033 40 T CA 0.316 62.514 62.100 0.162 0.000 1.084 40 T CB 0.924 69.908 68.868 0.193 0.000 0.979 40 T HN 1.395 nan 8.240 nan 0.000 0.532 41 T N -2.161 112.450 114.554 0.095 0.000 2.838 41 T HA 0.472 4.821 4.350 -0.001 0.000 0.292 41 T C 1.382 176.112 174.700 0.049 0.000 1.113 41 T CA -0.251 61.887 62.100 0.064 0.000 1.008 41 T CB 1.201 70.114 68.868 0.075 0.000 1.259 41 T HN 0.717 nan 8.240 nan 0.000 0.520 42 S N 0.069 115.790 115.700 0.035 0.000 2.465 42 S HA -0.145 4.324 4.470 -0.001 0.000 0.241 42 S C 1.795 176.397 174.600 0.004 0.000 1.000 42 S CA 0.444 58.653 58.200 0.015 0.000 0.964 42 S CB -0.718 62.490 63.200 0.013 0.000 0.763 42 S HN 0.696 nan 8.310 nan 0.000 0.512 43 R N 1.506 122.017 120.500 0.018 0.000 2.159 43 R HA -0.062 4.278 4.340 -0.001 0.000 0.237 43 R C 2.090 178.388 176.300 -0.002 0.000 1.131 43 R CA 1.559 57.664 56.100 0.010 0.000 0.982 43 R CB -0.519 29.796 30.300 0.025 0.000 0.868 43 R HN 0.751 nan 8.270 nan 0.000 0.453 44 S N -1.084 114.620 115.700 0.006 0.000 2.557 44 S HA 0.241 4.711 4.470 -0.001 0.000 0.223 44 S C 1.720 176.301 174.600 -0.032 0.000 0.969 44 S CA 0.172 58.369 58.200 -0.005 0.000 0.927 44 S CB 0.923 64.138 63.200 0.024 0.000 0.806 44 S HN 0.254 nan 8.310 nan 0.000 0.489 45 A N 2.104 124.896 122.820 -0.048 0.000 1.940 45 A HA 0.135 4.455 4.320 -0.001 0.000 0.219 45 A C 2.245 179.728 177.584 -0.168 0.000 1.176 45 A CA 1.634 53.614 52.037 -0.094 0.000 0.631 45 A CB -1.640 17.301 19.000 -0.098 0.000 0.814 45 A HN 0.653 nan 8.150 nan 0.000 0.446 46 G N -0.157 108.547 108.800 -0.159 0.000 2.418 46 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.217 46 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.217 46 G C 1.529 176.330 174.900 -0.165 0.000 1.158 46 G CA 1.034 46.012 45.100 -0.202 0.000 0.771 46 G HN 0.455 nan 8.290 nan 0.000 0.545 47 L N -0.166 120.998 121.223 -0.099 0.000 2.083 47 L HA -0.046 4.293 4.340 -0.001 0.000 0.209 47 L C 2.903 179.741 176.870 -0.052 0.000 1.083 47 L CA 1.248 56.051 54.840 -0.061 0.000 0.752 47 L CB -0.302 41.736 42.059 -0.035 0.000 0.899 47 L HN 0.169 nan 8.230 nan 0.000 0.433 48 R N 0.537 120.997 120.500 -0.066 0.000 2.066 48 R HA -0.145 4.195 4.340 -0.001 0.000 0.232 48 R C 2.220 178.480 176.300 -0.066 0.000 1.131 48 R CA 1.535 57.612 56.100 -0.039 0.000 0.955 48 R CB -0.438 29.842 30.300 -0.035 0.000 0.851 48 R HN 0.355 nan 8.270 nan 0.000 0.432 49 Q N 0.185 119.860 119.800 -0.208 0.000 2.112 49 Q HA -0.198 4.141 4.340 -0.001 0.000 0.206 49 Q C 2.036 177.983 176.000 -0.088 0.000 0.987 49 Q CA 2.142 57.747 55.803 -0.330 0.000 0.858 49 Q CB -0.164 28.038 28.738 -0.895 0.000 0.905 49 Q HN 0.338 nan 8.270 nan 0.000 0.420 50 K N 0.750 121.103 120.400 -0.078 0.000 2.057 50 K HA -0.139 4.180 4.320 -0.001 0.000 0.207 50 K C 2.015 178.688 176.600 0.121 0.000 1.049 50 K CA 1.206 57.511 56.287 0.030 0.000 0.931 50 K CB 0.018 32.519 32.500 0.001 0.000 0.714 50 K HN 0.106 nan 8.250 nan 0.000 0.440 51 K N 0.537 121.003 120.400 0.109 0.000 2.057 51 K HA -0.092 4.227 4.320 -0.001 0.000 0.206 51 K C 1.970 178.760 176.600 0.316 0.000 1.050 51 K CA 1.519 57.914 56.287 0.180 0.000 0.935 51 K CB -0.068 32.509 32.500 0.129 0.000 0.715 51 K HN 0.113 nan 8.250 nan 0.000 0.439 52 V N -1.030 119.036 119.914 0.254 0.000 3.573 52 V HA 0.024 4.144 4.120 -0.001 0.000 0.270 52 V C 0.378 176.538 176.094 0.110 0.000 1.221 52 V CA 0.354 62.813 62.300 0.266 0.000 1.163 52 V CB -0.407 31.569 31.823 0.256 0.000 0.847 52 V HN -0.009 nan 8.190 nan 0.000 0.468 53 T N 4.458 119.150 114.554 0.230 0.000 2.753 53 T HA 0.704 5.053 4.350 -0.001 0.000 0.297 53 T C -0.731 174.078 174.700 0.180 0.000 0.981 53 T CA -0.025 62.197 62.100 0.204 0.000 0.956 53 T CB 0.139 69.270 68.868 0.438 0.000 0.936 53 T HN 0.623 nan 8.240 nan 0.000 0.463 54 F N -0.349 119.701 119.950 0.167 0.000 2.741 54 F HA 0.627 5.154 4.527 -0.001 0.000 0.311 54 F C -1.105 174.728 175.800 0.055 0.000 1.149 54 F CA -1.666 56.393 58.000 0.098 0.000 0.930 54 F CB 0.645 39.694 39.000 0.082 0.000 1.312 54 F HN 0.138 nan 8.300 nan 0.000 0.450 55 D N 0.865 121.457 120.400 0.321 0.000 2.302 55 D HA 0.465 5.104 4.640 -0.001 0.000 0.248 55 D C -0.776 175.671 176.300 0.244 0.000 1.094 55 D CA -0.059 54.053 54.000 0.187 0.000 0.897 55 D CB 1.052 41.921 40.800 0.115 0.000 1.200 55 D HN 0.545 nan 8.370 nan 0.000 0.429 56 R N 1.738 122.323 120.500 0.142 0.000 2.589 56 R HA 0.640 4.980 4.340 -0.001 0.000 0.293 56 R C -0.893 175.438 176.300 0.052 0.000 0.963 56 R CA -0.715 55.459 56.100 0.124 0.000 0.905 56 R CB 1.229 31.584 30.300 0.091 0.000 1.144 56 R HN 0.253 nan 8.270 nan 0.000 0.459 57 L N 1.254 122.497 121.223 0.034 0.000 2.388 57 L HA 0.521 4.861 4.340 -0.001 0.000 0.264 57 L C -1.053 175.811 176.870 -0.009 0.000 0.998 57 L CA -0.321 54.522 54.840 0.006 0.000 0.817 57 L CB 2.219 44.279 42.059 0.001 0.000 1.338 57 L HN 0.572 nan 8.230 nan 0.000 0.414 58 Q N 1.968 121.753 119.800 -0.025 0.000 2.289 58 Q HA 0.646 4.986 4.340 -0.001 0.000 0.270 58 Q C -1.681 174.289 176.000 -0.050 0.000 1.038 58 Q CA -0.658 55.122 55.803 -0.040 0.000 0.812 58 Q CB 3.127 31.822 28.738 -0.071 0.000 1.300 58 Q HN 0.353 nan 8.270 nan 0.000 0.427 59 V N 4.389 124.280 119.914 -0.038 0.000 2.349 59 V HA 0.380 4.500 4.120 -0.001 0.000 0.284 59 V C -0.629 175.459 176.094 -0.008 0.000 1.014 59 V CA -0.489 61.789 62.300 -0.037 0.000 0.826 59 V CB 1.128 32.927 31.823 -0.041 0.000 1.009 59 V HN 0.615 nan 8.190 nan 0.000 0.431 60 L N 5.813 126.991 121.223 -0.074 0.000 2.265 60 L HA 0.541 4.881 4.340 -0.001 0.000 0.289 60 L C 0.146 177.026 176.870 0.016 0.000 1.033 60 L CA -0.551 54.211 54.840 -0.132 0.000 0.814 60 L CB 1.252 43.062 42.059 -0.416 0.000 1.203 60 L HN 0.663 nan 8.230 nan 0.000 0.423 61 D N 1.044 121.532 120.400 0.147 0.000 2.529 61 D HA 0.083 4.723 4.640 -0.001 0.000 0.273 61 D C 0.314 176.687 176.300 0.122 0.000 1.197 61 D CA -0.578 53.493 54.000 0.118 0.000 1.070 61 D CB 0.943 41.819 40.800 0.126 0.000 1.134 61 D HN 0.313 nan 8.370 nan 0.000 0.590 62 D N -1.240 119.169 120.400 0.016 0.000 2.178 62 D HA -0.137 4.502 4.640 -0.001 0.000 0.202 62 D C 1.745 178.057 176.300 0.020 0.000 0.974 62 D CA 0.955 54.945 54.000 -0.017 0.000 0.841 62 D CB -0.090 40.649 40.800 -0.102 0.000 0.953 62 D HN 0.423 nan 8.370 nan 0.000 0.478 63 H N -0.316 118.820 119.070 0.111 0.000 2.387 63 H HA -0.140 4.415 4.556 -0.001 0.000 0.299 63 H C 1.956 177.325 175.328 0.069 0.000 1.090 63 H CA 0.800 56.903 56.048 0.092 0.000 1.332 63 H CB -0.535 29.301 29.762 0.124 0.000 1.386 63 H HN 0.316 nan 8.280 nan 0.000 0.516 64 Y N 1.923 122.276 120.300 0.089 0.000 2.114 64 Y HA -0.209 4.340 4.550 -0.001 0.000 0.284 64 Y C 2.624 178.480 175.900 -0.073 0.000 1.143 64 Y CA 1.607 59.636 58.100 -0.118 0.000 1.135 64 Y CB -0.052 38.259 38.460 -0.248 0.000 0.980 64 Y HN -0.056 nan 8.280 nan 0.000 0.499 65 R N -0.010 120.552 120.500 0.103 0.000 2.115 65 R HA -0.128 4.211 4.340 -0.001 0.000 0.230 65 R C 1.727 178.001 176.300 -0.044 0.000 1.111 65 R CA 1.291 57.396 56.100 0.008 0.000 0.976 65 R CB -0.260 30.088 30.300 0.080 0.000 0.870 65 R HN 0.401 nan 8.270 nan 0.000 0.445 66 D N 0.157 120.555 120.400 -0.004 0.000 2.097 66 D HA -0.122 4.518 4.640 -0.001 0.000 0.195 66 D C 1.945 178.228 176.300 -0.027 0.000 0.989 66 D CA 1.074 55.077 54.000 0.005 0.000 0.827 66 D CB -0.173 40.662 40.800 0.058 0.000 0.966 66 D HN -0.020 nan 8.370 nan 0.000 0.456 67 V N 1.092 120.971 119.914 -0.059 0.000 2.358 67 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 67 V C 2.438 178.461 176.094 -0.118 0.000 1.047 67 V CA 0.957 63.207 62.300 -0.083 0.000 1.035 67 V CB -0.409 31.336 31.823 -0.131 0.000 0.658 67 V HN 0.138 nan 8.190 nan 0.000 0.452 68 L N 0.677 121.763 121.223 -0.228 0.000 2.042 68 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 68 L C 2.414 179.215 176.870 -0.114 0.000 1.076 68 L CA 2.314 57.019 54.840 -0.225 0.000 0.749 68 L CB -0.879 40.984 42.059 -0.327 0.000 0.893 68 L HN 0.298 nan 8.230 nan 0.000 0.432 69 K N -0.521 119.830 120.400 -0.082 0.000 2.063 69 K HA -0.223 4.097 4.320 -0.001 0.000 0.208 69 K C 1.951 178.532 176.600 -0.032 0.000 1.048 69 K CA 1.910 58.170 56.287 -0.045 0.000 0.928 69 K CB -0.128 32.356 32.500 -0.027 0.000 0.713 69 K HN 0.511 nan 8.250 nan 0.000 0.442 70 E N 0.137 120.323 120.200 -0.023 0.000 2.077 70 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 70 E C 2.092 178.687 176.600 -0.008 0.000 0.989 70 E CA 1.658 58.056 56.400 -0.004 0.000 0.800 70 E CB -0.071 29.638 29.700 0.016 0.000 0.746 70 E HN 0.348 nan 8.360 nan 0.000 0.452 71 M N 0.547 120.139 119.600 -0.014 0.000 2.117 71 M HA -0.193 4.287 4.480 -0.001 0.000 0.262 71 M C 2.126 178.397 176.300 -0.050 0.000 1.065 71 M CA 1.521 56.802 55.300 -0.031 0.000 1.114 71 M CB -0.124 32.455 32.600 -0.035 0.000 1.361 71 M HN -0.055 nan 8.290 nan 0.000 0.408 72 K N 0.164 120.534 120.400 -0.050 0.000 2.097 72 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 72 K C 2.102 178.684 176.600 -0.029 0.000 1.049 72 K CA 1.360 57.621 56.287 -0.043 0.000 0.933 72 K CB -0.266 32.208 32.500 -0.042 0.000 0.717 72 K HN 0.301 nan 8.250 nan 0.000 0.442 73 A N 1.896 124.702 122.820 -0.024 0.000 1.902 73 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 73 A C 1.882 179.454 177.584 -0.019 0.000 1.181 73 A CA 1.596 53.623 52.037 -0.016 0.000 0.623 73 A CB -0.274 18.720 19.000 -0.011 0.000 0.818 73 A HN 0.194 nan 8.150 nan 0.000 0.443 74 K N -0.370 120.014 120.400 -0.027 0.000 2.057 74 K HA 0.023 4.343 4.320 -0.001 0.000 0.206 74 K C 2.266 178.842 176.600 -0.040 0.000 1.050 74 K CA 0.996 57.262 56.287 -0.035 0.000 0.935 74 K CB -0.309 32.161 32.500 -0.050 0.000 0.715 74 K HN 0.422 nan 8.250 nan 0.000 0.439 75 A N 1.098 123.893 122.820 -0.042 0.000 1.972 75 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 75 A C 2.050 179.625 177.584 -0.015 0.000 1.169 75 A CA 1.731 53.748 52.037 -0.033 0.000 0.635 75 A CB -0.467 18.515 19.000 -0.030 0.000 0.810 75 A HN 0.176 nan 8.150 nan 0.000 0.446 76 S N -0.335 115.357 115.700 -0.013 0.000 2.507 76 S HA -0.101 4.368 4.470 -0.001 0.000 0.235 76 S C 1.929 176.526 174.600 -0.005 0.000 0.988 76 S CA 1.550 59.747 58.200 -0.005 0.000 0.944 76 S CB -0.490 62.707 63.200 -0.005 0.000 0.762 76 S HN 0.913 nan 8.310 nan 0.000 0.526 77 T N -0.873 113.674 114.554 -0.011 0.000 3.081 77 T HA 0.176 4.525 4.350 -0.001 0.000 0.255 77 T C 0.564 175.257 174.700 -0.011 0.000 1.113 77 T CA -0.061 62.033 62.100 -0.011 0.000 1.082 77 T CB -0.284 68.575 68.868 -0.015 0.000 0.939 77 T HN 0.034 nan 8.240 nan 0.000 0.506 78 V N 2.032 121.938 119.914 -0.013 0.000 2.583 78 V HA 0.385 4.505 4.120 -0.001 0.000 0.287 78 V C 0.095 176.189 176.094 -0.001 0.000 1.051 78 V CA -0.634 61.658 62.300 -0.013 0.000 1.010 78 V CB 1.151 32.962 31.823 -0.020 0.000 0.988 78 V HN 0.419 nan 8.190 nan 0.000 0.478 79 K N 3.756 124.156 120.400 -0.001 0.000 2.413 79 K HA 0.756 5.075 4.320 -0.001 0.000 0.257 79 K C -0.741 175.863 176.600 0.008 0.000 0.946 79 K CA -0.420 55.871 56.287 0.007 0.000 0.823 79 K CB 1.556 34.060 32.500 0.008 0.000 1.109 79 K HN 0.813 nan 8.250 nan 0.000 0.427 80 A N 3.891 126.719 122.820 0.015 0.000 2.355 80 A HA 0.545 4.865 4.320 -0.001 0.000 0.324 80 A C -1.232 176.369 177.584 0.029 0.000 1.117 80 A CA -0.924 51.123 52.037 0.016 0.000 0.785 80 A CB 0.905 19.911 19.000 0.011 0.000 1.254 80 A HN 0.834 nan 8.150 nan 0.000 0.453 81 K N 1.130 121.550 120.400 0.033 0.000 2.156 81 K HA 0.712 5.032 4.320 -0.001 0.000 0.250 81 K C -0.983 175.645 176.600 0.046 0.000 0.955 81 K CA -0.729 55.580 56.287 0.037 0.000 0.855 81 K CB 1.422 33.941 32.500 0.031 0.000 1.101 81 K HN 0.374 nan 8.250 nan 0.000 0.434 82 L N 3.246 124.492 121.223 0.038 0.000 2.319 82 L HA 0.237 4.577 4.340 -0.001 0.000 0.280 82 L C -0.899 175.959 176.870 -0.019 0.000 1.099 82 L CA -0.414 54.442 54.840 0.026 0.000 0.828 82 L CB 0.474 42.549 42.059 0.027 0.000 1.150 82 L HN 0.669 nan 8.230 nan 0.000 0.442 83 L N 3.849 125.054 121.223 -0.030 0.000 2.436 83 L HA 0.369 4.708 4.340 -0.001 0.000 0.265 83 L C 0.558 177.341 176.870 -0.145 0.000 1.168 83 L CA 0.511 55.316 54.840 -0.059 0.000 0.815 83 L CB 1.248 43.284 42.059 -0.039 0.000 1.109 83 L HN 0.876 nan 8.230 nan 0.000 0.462 84 S N 1.292 116.914 115.700 -0.130 0.000 2.632 84 S HA 0.267 4.737 4.470 -0.001 0.000 0.267 84 S C 1.244 175.731 174.600 -0.189 0.000 1.276 84 S CA -0.712 57.394 58.200 -0.157 0.000 0.998 84 S CB 1.094 64.231 63.200 -0.106 0.000 0.953 84 S HN 0.354 nan 8.310 nan 0.000 0.547 85 V N 2.272 122.059 119.914 -0.211 0.000 2.282 85 V HA -0.223 3.896 4.120 -0.001 0.000 0.249 85 V C 2.946 178.926 176.094 -0.189 0.000 1.057 85 V CA 2.354 64.507 62.300 -0.244 0.000 1.032 85 V CB -1.267 30.356 31.823 -0.334 0.000 0.645 85 V HN 1.022 nan 8.190 nan 0.000 0.447 86 E N 0.587 120.697 120.200 -0.151 0.000 2.058 86 E HA -0.303 4.046 4.350 -0.001 0.000 0.194 86 E C 1.940 178.465 176.600 -0.126 0.000 0.997 86 E CA 1.866 58.191 56.400 -0.125 0.000 0.801 86 E CB -0.540 29.104 29.700 -0.094 0.000 0.746 86 E HN 0.738 nan 8.360 nan 0.000 0.450 87 E N 1.308 121.432 120.200 -0.126 0.000 2.058 87 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 87 E C 2.219 178.707 176.600 -0.186 0.000 0.997 87 E CA 1.306 57.624 56.400 -0.136 0.000 0.801 87 E CB -0.226 29.406 29.700 -0.114 0.000 0.746 87 E HN 0.414 nan 8.360 nan 0.000 0.450 88 A N 0.847 123.557 122.820 -0.183 0.000 1.902 88 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 88 A C 2.449 179.925 177.584 -0.181 0.000 1.181 88 A CA 1.339 53.259 52.037 -0.196 0.000 0.623 88 A CB -0.945 17.964 19.000 -0.153 0.000 0.818 88 A HN 0.381 nan 8.150 nan 0.000 0.443 89 C N -0.508 118.700 119.300 -0.154 0.000 2.413 89 C HA -0.106 4.353 4.460 -0.001 0.000 0.276 89 C C 2.641 177.547 174.990 -0.140 0.000 1.248 89 C CA 1.388 60.327 59.018 -0.132 0.000 1.742 89 C CB -1.112 26.552 27.740 -0.126 0.000 2.017 89 C HN 0.619 nan 8.230 nan 0.000 0.481 90 K N 0.527 120.841 120.400 -0.144 0.000 2.280 90 K HA -0.045 4.274 4.320 -0.001 0.000 0.202 90 K C 1.455 177.963 176.600 -0.154 0.000 1.047 90 K CA 0.939 57.150 56.287 -0.128 0.000 0.942 90 K CB -0.194 32.240 32.500 -0.111 0.000 0.739 90 K HN 0.530 nan 8.250 nan 0.000 0.457 91 L N 0.872 121.948 121.223 -0.244 0.000 2.599 91 L HA 0.001 4.340 4.340 -0.001 0.000 0.230 91 L C 0.336 177.066 176.870 -0.234 0.000 1.141 91 L CA 0.173 54.807 54.840 -0.343 0.000 0.877 91 L CB -0.116 41.606 42.059 -0.561 0.000 1.009 91 L HN 0.008 nan 8.230 nan 0.000 0.447 92 T N 1.507 115.956 114.554 -0.175 0.000 2.794 92 T HA 0.193 4.543 4.350 -0.001 0.000 0.296 92 T C -2.297 172.270 174.700 -0.221 0.000 0.949 92 T CA -1.073 60.934 62.100 -0.155 0.000 1.101 92 T CB 1.032 69.826 68.868 -0.123 0.000 0.905 92 T HN -0.151 nan 8.240 nan 0.000 0.516 93 P HA 0.130 nan 4.420 nan 0.000 0.267 93 P C -1.873 175.209 177.300 -0.364 0.000 1.205 93 P CA -1.236 61.675 63.100 -0.315 0.000 0.765 93 P CB 0.296 31.928 31.700 -0.113 0.000 0.828 94 P HA -0.173 nan 4.420 nan 0.000 0.218 94 P C 0.194 177.263 177.300 -0.385 0.000 1.146 94 P CA 1.665 64.526 63.100 -0.398 0.000 0.813 94 P CB -0.089 31.401 31.700 -0.350 0.000 0.778 95 H N -2.842 116.109 119.070 -0.198 0.000 2.512 95 H HA 0.290 4.845 4.556 -0.001 0.000 0.276 95 H C 0.393 175.647 175.328 -0.122 0.000 1.126 95 H CA -0.384 55.587 56.048 -0.129 0.000 1.060 95 H CB -0.215 29.488 29.762 -0.098 0.000 1.646 95 H HN -0.057 nan 8.280 nan 0.000 0.571 96 S N 1.096 116.753 115.700 -0.072 0.000 2.568 96 S HA 0.383 4.852 4.470 -0.001 0.000 0.282 96 S C 0.781 175.328 174.600 -0.088 0.000 1.338 96 S CA -0.388 57.757 58.200 -0.092 0.000 1.045 96 S CB 0.213 63.354 63.200 -0.100 0.000 0.873 96 S HN 0.552 nan 8.310 nan 0.000 0.516 97 A N 4.245 126.995 122.820 -0.118 0.000 2.584 97 A HA 0.193 4.512 4.320 -0.001 0.000 0.239 97 A C 0.529 178.083 177.584 -0.051 0.000 1.043 97 A CA 0.078 52.067 52.037 -0.080 0.000 0.756 97 A CB -0.281 18.658 19.000 -0.101 0.000 0.963 97 A HN 0.856 nan 8.150 nan 0.000 0.511 98 K N 2.359 122.723 120.400 -0.060 0.000 2.319 98 K HA 0.360 4.679 4.320 -0.001 0.000 0.265 98 K C 0.386 176.890 176.600 -0.160 0.000 1.000 98 K CA 0.091 56.311 56.287 -0.112 0.000 0.943 98 K CB 0.525 32.959 32.500 -0.110 0.000 0.950 98 K HN 0.472 nan 8.250 nan 0.000 0.485 99 S N 0.638 116.134 115.700 -0.340 0.000 2.593 99 S HA 0.047 4.516 4.470 -0.001 0.000 0.269 99 S C 0.503 174.857 174.600 -0.411 0.000 1.334 99 S CA -0.487 57.456 58.200 -0.428 0.000 1.015 99 S CB 0.577 63.176 63.200 -1.001 0.000 0.912 99 S HN 0.704 nan 8.310 nan 0.000 0.541 100 K N 1.766 121.881 120.400 -0.476 0.000 2.444 100 K HA 0.102 4.421 4.320 -0.001 0.000 0.193 100 K C -0.227 175.880 176.600 -0.820 0.000 1.024 100 K CA 0.533 56.444 56.287 -0.628 0.000 1.077 100 K CB -0.014 32.037 32.500 -0.749 0.000 0.833 100 K HN 0.581 nan 8.250 nan 0.000 0.517 101 F N 0.386 120.136 119.950 -0.334 0.000 2.730 101 F HA 0.254 4.781 4.527 -0.001 0.000 0.295 101 F C 1.099 176.789 175.800 -0.185 0.000 1.143 101 F CA -0.439 57.381 58.000 -0.301 0.000 1.367 101 F CB 0.722 39.388 39.000 -0.558 0.000 0.970 101 F HN 0.084 nan 8.300 nan 0.000 0.514 102 G N 0.279 109.020 108.800 -0.098 0.000 2.131 102 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.223 102 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.223 102 G C -0.331 174.642 174.900 0.123 0.000 0.990 102 G CA 0.073 45.187 45.100 0.023 0.000 0.671 102 G HN 0.547 nan 8.290 nan 0.000 0.521 103 Y N -2.685 117.592 120.300 -0.038 0.000 2.656 103 Y HA 0.759 5.308 4.550 -0.001 0.000 0.334 103 Y C 0.347 176.227 175.900 -0.033 0.000 1.179 103 Y CA -1.024 57.057 58.100 -0.031 0.000 1.050 103 Y CB 0.516 38.964 38.460 -0.020 0.000 1.308 103 Y HN 0.704 nan 8.280 nan 0.000 0.456 104 G N -0.201 108.667 108.800 0.112 0.000 3.108 104 G HA2 0.542 4.502 3.960 -0.001 0.000 0.268 104 G HA3 0.542 4.502 3.960 -0.001 0.000 0.268 104 G C 0.246 175.184 174.900 0.063 0.000 1.361 104 G CA -0.776 44.329 45.100 0.007 0.000 1.047 104 G HN 1.213 nan 8.290 nan 0.000 0.540 105 A N -0.521 122.280 122.820 -0.031 0.000 1.940 105 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 105 A C 2.175 179.707 177.584 -0.086 0.000 1.176 105 A CA 2.281 54.281 52.037 -0.062 0.000 0.631 105 A CB -0.400 18.521 19.000 -0.132 0.000 0.814 105 A HN 0.528 nan 8.150 nan 0.000 0.446 106 K N 0.050 120.387 120.400 -0.105 0.000 2.057 106 K HA -0.123 4.196 4.320 -0.001 0.000 0.206 106 K C 1.467 178.030 176.600 -0.063 0.000 1.050 106 K CA 1.628 57.848 56.287 -0.112 0.000 0.935 106 K CB -0.144 32.285 32.500 -0.120 0.000 0.715 106 K HN 0.454 nan 8.250 nan 0.000 0.439 107 D N -0.241 120.151 120.400 -0.013 0.000 2.178 107 D HA -0.139 4.501 4.640 -0.001 0.000 0.201 107 D C 1.811 178.088 176.300 -0.039 0.000 0.980 107 D CA 1.019 55.016 54.000 -0.005 0.000 0.842 107 D CB 0.016 40.854 40.800 0.063 0.000 0.948 107 D HN 0.026 nan 8.370 nan 0.000 0.472 108 V N 1.152 121.061 119.914 -0.008 0.000 2.323 108 V HA -0.180 3.940 4.120 -0.001 0.000 0.244 108 V C 2.451 178.496 176.094 -0.081 0.000 1.041 108 V CA 1.366 63.639 62.300 -0.044 0.000 1.025 108 V CB -0.328 31.508 31.823 0.021 0.000 0.656 108 V HN 0.094 nan 8.190 nan 0.000 0.451 109 R N 0.588 121.034 120.500 -0.089 0.000 2.152 109 R HA -0.092 4.248 4.340 -0.001 0.000 0.232 109 R C 1.668 177.916 176.300 -0.087 0.000 1.117 109 R CA 1.282 57.319 56.100 -0.104 0.000 0.981 109 R CB -0.304 29.916 30.300 -0.133 0.000 0.870 109 R HN 0.513 nan 8.270 nan 0.000 0.451 110 N N 0.719 119.371 118.700 -0.079 0.000 2.398 110 N HA 0.072 4.811 4.740 -0.001 0.000 0.188 110 N C 0.217 175.684 175.510 -0.072 0.000 1.122 110 N CA 0.278 53.287 53.050 -0.068 0.000 0.866 110 N CB 0.313 38.764 38.487 -0.059 0.000 0.970 110 N HN 0.128 nan 8.380 nan 0.000 0.462 111 L N 0.788 121.958 121.223 -0.088 0.000 3.717 111 L HA -0.220 4.120 4.340 -0.001 0.000 0.414 111 L C 0.174 176.985 176.870 -0.099 0.000 1.228 111 L CA 0.003 54.783 54.840 -0.101 0.000 0.918 111 L CB -2.591 39.416 42.059 -0.086 0.000 1.865 111 L HN 0.170 nan 8.230 nan 0.000 0.922 112 S N -0.705 114.934 115.700 -0.101 0.000 2.558 112 S HA 0.184 4.653 4.470 -0.001 0.000 0.288 112 S C 1.534 176.065 174.600 -0.114 0.000 1.318 112 S CA 0.055 58.200 58.200 -0.092 0.000 1.056 112 S CB 1.715 64.866 63.200 -0.082 0.000 0.853 112 S HN 0.541 nan 8.310 nan 0.000 0.505 113 S N 3.258 118.910 115.700 -0.080 0.000 2.383 113 S HA -0.250 4.220 4.470 -0.001 0.000 0.229 113 S C 1.728 176.272 174.600 -0.093 0.000 1.030 113 S CA 1.346 59.505 58.200 -0.070 0.000 1.002 113 S CB -0.660 62.517 63.200 -0.037 0.000 0.829 113 S HN 0.872 nan 8.310 nan 0.000 0.467 114 K N 1.543 121.883 120.400 -0.101 0.000 2.002 114 K HA -0.041 4.279 4.320 -0.001 0.000 0.209 114 K C 2.413 178.832 176.600 -0.303 0.000 1.048 114 K CA 1.243 57.461 56.287 -0.114 0.000 0.930 114 K CB -0.714 31.754 32.500 -0.053 0.000 0.714 114 K HN 0.459 nan 8.250 nan 0.000 0.438 115 A N 0.695 123.213 122.820 -0.503 0.000 1.858 115 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 115 A C 2.268 179.544 177.584 -0.513 0.000 1.190 115 A CA 1.838 53.297 52.037 -0.964 0.000 0.617 115 A CB -0.847 17.753 19.000 -0.666 0.000 0.827 115 A HN 0.184 nan 8.150 nan 0.000 0.443 116 V N 1.176 120.898 119.914 -0.320 0.000 2.392 116 V HA -0.291 3.829 4.120 -0.001 0.000 0.249 116 V C 2.341 178.295 176.094 -0.233 0.000 1.059 116 V CA 2.155 64.280 62.300 -0.291 0.000 1.051 116 V CB -1.005 30.688 31.823 -0.215 0.000 0.658 116 V HN 0.556 nan 8.190 nan 0.000 0.455 117 N N -0.747 117.891 118.700 -0.103 0.000 2.106 117 N HA -0.184 4.555 4.740 -0.001 0.000 0.188 117 N C 1.916 177.440 175.510 0.025 0.000 1.029 117 N CA 1.611 54.670 53.050 0.015 0.000 0.848 117 N CB -0.480 38.018 38.487 0.019 0.000 1.007 117 N HN 0.652 nan 8.380 nan 0.000 0.423 118 H N 1.141 120.147 119.070 -0.107 0.000 2.353 118 H HA 0.021 4.576 4.556 -0.001 0.000 0.300 118 H C 2.157 177.476 175.328 -0.014 0.000 1.090 118 H CA 1.018 57.042 56.048 -0.040 0.000 1.327 118 H CB 0.016 29.814 29.762 0.061 0.000 1.383 118 H HN 0.127 nan 8.280 nan 0.000 0.508 119 I N 0.201 120.706 120.570 -0.109 0.000 2.208 119 I HA -0.318 3.852 4.170 -0.001 0.000 0.245 119 I C 2.331 178.409 176.117 -0.065 0.000 1.097 119 I CA 1.534 62.765 61.300 -0.115 0.000 1.363 119 I CB -0.478 37.428 38.000 -0.157 0.000 1.051 119 I HN 0.377 nan 8.210 nan 0.000 0.413 120 H N -0.169 118.867 119.070 -0.056 0.000 2.423 120 H HA -0.133 4.422 4.556 -0.001 0.000 0.297 120 H C 2.514 177.848 175.328 0.011 0.000 1.075 120 H CA 1.413 57.456 56.048 -0.008 0.000 1.342 120 H CB 0.148 29.890 29.762 -0.034 0.000 1.395 120 H HN 0.393 nan 8.280 nan 0.000 0.530 121 S N -0.116 115.609 115.700 0.041 0.000 2.395 121 S HA -0.092 4.377 4.470 -0.001 0.000 0.225 121 S C 2.236 176.777 174.600 -0.097 0.000 1.027 121 S CA 0.873 59.049 58.200 -0.040 0.000 0.965 121 S CB -0.561 62.582 63.200 -0.095 0.000 0.812 121 S HN 0.118 nan 8.310 nan 0.000 0.482 122 V N 1.070 120.870 119.914 -0.190 0.000 2.295 122 V HA -0.135 3.984 4.120 -0.001 0.000 0.246 122 V C 2.253 178.339 176.094 -0.014 0.000 1.049 122 V CA 1.829 64.031 62.300 -0.164 0.000 1.024 122 V CB -1.058 30.647 31.823 -0.196 0.000 0.648 122 V HN 0.712 nan 8.190 nan 0.000 0.447 123 W N 1.425 122.673 121.300 -0.085 0.000 2.335 123 W HA -0.245 4.414 4.660 -0.001 0.000 0.311 123 W C 2.526 179.024 176.519 -0.036 0.000 1.213 123 W CA 2.401 59.724 57.345 -0.037 0.000 1.274 123 W CB -0.171 29.296 29.460 0.012 0.000 1.148 123 W HN 0.247 nan 8.180 nan 0.000 0.498 124 K N 0.511 120.970 120.400 0.098 0.000 2.063 124 K HA -0.270 4.050 4.320 -0.001 0.000 0.208 124 K C 1.764 178.302 176.600 -0.104 0.000 1.048 124 K CA 2.268 58.553 56.287 -0.004 0.000 0.928 124 K CB -0.619 31.902 32.500 0.036 0.000 0.713 124 K HN -0.014 nan 8.250 nan 0.000 0.442 125 D N 0.275 120.615 120.400 -0.100 0.000 2.144 125 D HA -0.144 4.495 4.640 -0.001 0.000 0.199 125 D C 1.954 178.158 176.300 -0.161 0.000 0.984 125 D CA 0.947 54.878 54.000 -0.114 0.000 0.834 125 D CB 0.063 40.800 40.800 -0.105 0.000 0.955 125 D HN 0.214 nan 8.370 nan 0.000 0.465 126 L N -0.190 120.893 121.223 -0.233 0.000 2.046 126 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 126 L C 2.434 179.112 176.870 -0.321 0.000 1.077 126 L CA 0.740 55.398 54.840 -0.303 0.000 0.747 126 L CB -0.319 41.472 42.059 -0.447 0.000 0.896 126 L HN 0.206 nan 8.230 nan 0.000 0.432 127 L N -0.877 120.122 121.223 -0.374 0.000 2.156 127 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 127 L C 2.225 178.999 176.870 -0.161 0.000 1.095 127 L CA 1.110 55.781 54.840 -0.282 0.000 0.770 127 L CB -0.368 41.533 42.059 -0.264 0.000 0.914 127 L HN 0.288 nan 8.230 nan 0.000 0.439 128 E N -1.094 119.026 120.200 -0.134 0.000 2.318 128 E HA -0.047 4.303 4.350 -0.001 0.000 0.193 128 E C 0.285 176.838 176.600 -0.079 0.000 0.998 128 E CA 0.176 56.524 56.400 -0.088 0.000 0.859 128 E CB 0.358 30.017 29.700 -0.069 0.000 0.812 128 E HN 0.192 nan 8.360 nan 0.000 0.492 129 D N 0.389 120.733 120.400 -0.094 0.000 2.481 129 D HA 0.055 4.695 4.640 -0.001 0.000 0.246 129 D C -0.160 176.087 176.300 -0.088 0.000 1.109 129 D CA -0.267 53.687 54.000 -0.077 0.000 0.845 129 D CB 1.506 42.265 40.800 -0.068 0.000 1.160 129 D HN -0.034 nan 8.370 nan 0.000 0.534 130 T N 0.415 114.926 114.554 -0.071 0.000 3.228 130 T HA 0.217 4.566 4.350 -0.001 0.000 0.278 130 T C 1.139 175.808 174.700 -0.051 0.000 1.014 130 T CA 0.257 62.314 62.100 -0.071 0.000 0.904 130 T CB -0.218 68.612 68.868 -0.063 0.000 1.110 130 T HN 0.212 nan 8.240 nan 0.000 0.541 131 V N -3.260 116.628 119.914 -0.042 0.000 3.305 131 V HA 0.372 4.492 4.120 -0.001 0.000 0.247 131 V C 0.582 176.666 176.094 -0.016 0.000 1.426 131 V CA -0.095 62.189 62.300 -0.026 0.000 1.162 131 V CB -0.282 31.528 31.823 -0.020 0.000 0.961 131 V HN 0.272 nan 8.190 nan 0.000 0.449 132 T N 4.756 119.298 114.554 -0.021 0.000 2.784 132 T HA 0.316 4.665 4.350 -0.001 0.000 0.291 132 T C -2.439 172.260 174.700 -0.002 0.000 0.942 132 T CA -0.164 61.931 62.100 -0.007 0.000 1.161 132 T CB 0.631 69.492 68.868 -0.011 0.000 0.885 132 T HN 0.358 nan 8.240 nan 0.000 0.534 133 P HA 0.125 nan 4.420 nan 0.000 0.265 133 P C -0.214 177.091 177.300 0.009 0.000 1.187 133 P CA -0.008 63.111 63.100 0.032 0.000 0.766 133 P CB 0.392 32.158 31.700 0.109 0.000 0.820 134 I N 2.330 122.889 120.570 -0.019 0.000 2.385 134 I HA 0.165 4.335 4.170 -0.001 0.000 0.294 134 I C 0.876 176.983 176.117 -0.016 0.000 0.988 134 I CA -0.502 60.790 61.300 -0.013 0.000 1.265 134 I CB 1.014 38.995 38.000 -0.031 0.000 1.388 134 I HN 0.325 nan 8.210 nan 0.000 0.480 135 D N 4.132 124.537 120.400 0.008 0.000 2.382 135 D HA 0.240 4.879 4.640 -0.001 0.000 0.240 135 D C -0.398 175.871 176.300 -0.051 0.000 1.146 135 D CA 0.316 54.306 54.000 -0.015 0.000 0.897 135 D CB 0.846 41.652 40.800 0.010 0.000 1.197 135 D HN 0.625 nan 8.370 nan 0.000 0.432 136 T N -1.084 113.409 114.554 -0.103 0.000 2.883 136 T HA 0.587 4.936 4.350 -0.001 0.000 0.301 136 T C -0.521 174.021 174.700 -0.264 0.000 1.158 136 T CA -0.982 61.013 62.100 -0.176 0.000 1.007 136 T CB 1.521 70.311 68.868 -0.129 0.000 1.186 136 T HN 0.213 nan 8.240 nan 0.000 0.499 137 T N 2.218 116.453 114.554 -0.531 0.000 2.829 137 T HA 0.619 4.968 4.350 -0.001 0.000 0.282 137 T C -0.443 174.006 174.700 -0.419 0.000 0.990 137 T CA -0.620 61.148 62.100 -0.554 0.000 1.028 137 T CB 0.832 69.148 68.868 -0.921 0.000 0.951 137 T HN 0.742 nan 8.240 nan 0.000 0.460 138 I N 4.044 124.525 120.570 -0.147 0.000 2.378 138 I HA 0.550 4.720 4.170 -0.001 0.000 0.291 138 I C -1.007 175.142 176.117 0.053 0.000 0.992 138 I CA -0.796 60.506 61.300 0.002 0.000 1.154 138 I CB 0.695 38.740 38.000 0.076 0.000 1.315 138 I HN 0.427 nan 8.210 nan 0.000 0.448 139 M N 6.225 125.902 119.600 0.128 0.000 2.593 139 M HA 0.527 5.006 4.480 -0.001 0.000 0.290 139 M C -0.718 175.644 176.300 0.103 0.000 1.244 139 M CA -0.643 54.735 55.300 0.129 0.000 0.857 139 M CB 1.917 34.644 32.600 0.211 0.000 1.738 139 M HN 0.594 nan 8.290 nan 0.000 0.461 140 A N 1.948 124.810 122.820 0.069 0.000 2.274 140 A HA 0.524 4.844 4.320 -0.001 0.000 0.309 140 A C -0.155 177.464 177.584 0.058 0.000 1.226 140 A CA -0.566 51.503 52.037 0.053 0.000 0.853 140 A CB 0.358 19.375 19.000 0.029 0.000 1.146 140 A HN 0.756 nan 8.150 nan 0.000 0.518 141 K N 1.920 122.357 120.400 0.061 0.000 2.326 141 K HA 0.103 4.422 4.320 -0.001 0.000 0.275 141 K C -0.642 175.965 176.600 0.013 0.000 1.018 141 K CA 0.141 56.452 56.287 0.040 0.000 0.962 141 K CB 0.528 33.058 32.500 0.051 0.000 0.953 141 K HN 0.757 nan 8.250 nan 0.000 0.475 142 N N 2.620 121.298 118.700 -0.037 0.000 2.527 142 N HA 0.108 4.847 4.740 -0.001 0.000 0.236 142 N C -1.239 174.148 175.510 -0.206 0.000 0.999 142 N CA -0.314 52.676 53.050 -0.099 0.000 0.935 142 N CB 0.987 39.413 38.487 -0.101 0.000 1.132 142 N HN 0.386 nan 8.380 nan 0.000 0.511 143 E N 0.926 120.990 120.200 -0.228 0.000 2.288 143 E HA 0.417 4.767 4.350 -0.001 0.000 0.268 143 E C -0.896 175.293 176.600 -0.686 0.000 0.885 143 E CA -0.974 55.173 56.400 -0.422 0.000 0.767 143 E CB 2.574 32.101 29.700 -0.288 0.000 1.220 143 E HN 0.092 nan 8.360 nan 0.000 0.427 144 V N 3.220 122.586 119.914 -0.914 0.000 2.439 144 V HA 0.461 4.581 4.120 -0.001 0.000 0.282 144 V C -0.725 174.703 176.094 -1.111 0.000 1.039 144 V CA -0.126 61.644 62.300 -0.883 0.000 0.913 144 V CB 0.079 31.518 31.823 -0.641 0.000 0.983 144 V HN 0.512 nan 8.190 nan 0.000 0.460 145 F N 2.231 121.855 119.950 -0.543 0.000 2.692 145 F HA 0.629 5.155 4.527 -0.001 0.000 0.320 145 F C 0.010 175.695 175.800 -0.191 0.000 1.123 145 F CA -0.758 57.026 58.000 -0.361 0.000 0.961 145 F CB 1.340 40.130 39.000 -0.350 0.000 1.383 145 F HN 0.538 nan 8.300 nan 0.000 0.483 146 C N 2.557 122.025 119.300 0.279 0.000 2.376 146 C HA 0.815 5.274 4.460 -0.001 0.000 0.335 146 C C 0.033 175.272 174.990 0.415 0.000 1.229 146 C CA -0.717 58.482 59.018 0.301 0.000 1.867 146 C CB 0.115 27.962 27.740 0.177 0.000 2.319 146 C HN 0.759 nan 8.230 nan 0.000 0.515 147 V N 5.036 125.181 119.914 0.385 0.000 3.061 147 V HA 0.153 4.272 4.120 -0.001 0.000 0.306 147 V C 0.682 176.850 176.094 0.123 0.000 1.118 147 V CA 0.231 62.659 62.300 0.212 0.000 1.231 147 V CB -0.221 31.642 31.823 0.067 0.000 0.956 147 V HN 1.231 nan 8.190 nan 0.000 0.499 155 K N 2.585 123.004 120.400 0.033 0.000 2.110 155 K HA 0.551 4.871 4.320 -0.001 0.000 0.263 155 K C -2.293 174.334 176.600 0.045 0.000 0.975 155 K CA -1.644 54.626 56.287 -0.028 0.000 0.895 155 K CB 1.518 33.905 32.500 -0.188 0.000 1.060 155 K HN 0.143 nan 8.250 nan 0.000 0.448 156 P HA 0.044 nan 4.420 nan 0.000 0.274 156 P C -0.592 176.746 177.300 0.063 0.000 1.237 156 P CA -0.434 62.691 63.100 0.042 0.000 0.793 156 P CB 0.838 32.544 31.700 0.010 0.000 0.977 157 A N 2.934 125.800 122.820 0.077 0.000 2.483 157 A HA 0.117 4.436 4.320 -0.001 0.000 0.238 157 A C 0.708 178.336 177.584 0.074 0.000 1.070 157 A CA -0.061 52.030 52.037 0.091 0.000 0.770 157 A CB -0.269 18.773 19.000 0.070 0.000 1.008 157 A HN 0.481 nan 8.150 nan 0.000 0.497 158 R N 0.049 120.609 120.500 0.100 0.000 2.577 158 R HA 0.421 4.760 4.340 -0.001 0.000 0.269 158 R C -1.123 175.231 176.300 0.090 0.000 1.084 158 R CA -0.673 55.487 56.100 0.100 0.000 1.163 158 R CB 0.335 30.711 30.300 0.127 0.000 1.100 158 R HN 0.479 nan 8.270 nan 0.000 0.547 159 L N 2.374 123.656 121.223 0.098 0.000 2.296 159 L HA 0.392 4.731 4.340 -0.001 0.000 0.286 159 L C -0.417 176.542 176.870 0.148 0.000 1.023 159 L CA -0.440 54.462 54.840 0.102 0.000 0.812 159 L CB 1.222 43.327 42.059 0.076 0.000 1.223 159 L HN 0.460 nan 8.230 nan 0.000 0.421 160 I N 4.105 124.776 120.570 0.168 0.000 2.377 160 I HA 0.603 4.773 4.170 -0.001 0.000 0.293 160 I C -0.848 175.439 176.117 0.284 0.000 0.987 160 I CA -0.259 61.174 61.300 0.221 0.000 1.185 160 I CB 1.599 39.725 38.000 0.210 0.000 1.341 160 I HN 0.240 nan 8.210 nan 0.000 0.455 161 V N 8.924 129.008 119.914 0.283 0.000 2.483 161 V HA 0.584 4.703 4.120 -0.001 0.000 0.297 161 V C -0.779 175.486 176.094 0.286 0.000 1.027 161 V CA -0.474 61.950 62.300 0.207 0.000 0.855 161 V CB 1.094 33.014 31.823 0.162 0.000 0.995 161 V HN 0.614 nan 8.190 nan 0.000 0.424 162 F N 5.038 125.033 119.950 0.074 0.000 2.619 162 F HA 0.947 5.473 4.527 -0.001 0.000 0.308 162 F C -3.090 172.749 175.800 0.065 0.000 1.097 162 F CA -2.609 55.435 58.000 0.075 0.000 0.953 162 F CB 1.773 40.812 39.000 0.065 0.000 1.287 162 F HN 0.301 nan 8.300 nan 0.000 0.446 163 P HA 0.193 nan 4.420 nan 0.000 0.281 163 P C -1.111 176.318 177.300 0.214 0.000 1.281 163 P CA -0.171 62.998 63.100 0.117 0.000 0.811 163 P CB 1.287 33.064 31.700 0.128 0.000 1.154 164 D N -0.697 119.806 120.400 0.173 0.000 2.400 164 D HA -0.053 4.587 4.640 -0.001 0.000 0.238 164 D C 1.381 177.819 176.300 0.230 0.000 1.157 164 D CA -0.282 53.844 54.000 0.211 0.000 0.889 164 D CB 0.283 41.256 40.800 0.288 0.000 1.199 164 D HN 0.110 nan 8.370 nan 0.000 0.436 165 L N 3.564 124.897 121.223 0.182 0.000 2.051 165 L HA -0.072 4.267 4.340 -0.001 0.000 0.214 165 L C 2.002 179.014 176.870 0.235 0.000 1.076 165 L CA 2.652 57.587 54.840 0.158 0.000 0.758 165 L CB -1.101 40.997 42.059 0.065 0.000 0.890 165 L HN 0.655 nan 8.230 nan 0.000 0.433 166 G N -1.373 107.637 108.800 0.350 0.000 2.418 166 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.217 166 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.217 166 G C 1.522 176.554 174.900 0.219 0.000 1.158 166 G CA 1.003 46.337 45.100 0.391 0.000 0.771 166 G HN 0.364 nan 8.290 nan 0.000 0.545 167 V N 0.706 120.743 119.914 0.204 0.000 2.427 167 V HA -0.140 3.979 4.120 -0.001 0.000 0.248 167 V C 2.920 179.106 176.094 0.152 0.000 1.051 167 V CA 1.763 64.150 62.300 0.145 0.000 1.048 167 V CB -0.432 31.465 31.823 0.124 0.000 0.666 167 V HN 0.325 nan 8.190 nan 0.000 0.456 168 R N -0.300 120.298 120.500 0.163 0.000 2.081 168 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 168 R C 2.251 178.620 176.300 0.115 0.000 1.131 168 R CA 1.466 57.653 56.100 0.144 0.000 0.960 168 R CB -0.667 29.710 30.300 0.128 0.000 0.856 168 R HN 0.413 nan 8.270 nan 0.000 0.436 169 V N 0.579 120.556 119.914 0.105 0.000 2.343 169 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 169 V C 2.528 178.670 176.094 0.081 0.000 1.051 169 V CA 1.593 63.926 62.300 0.055 0.000 1.036 169 V CB -0.470 31.377 31.823 0.039 0.000 0.654 169 V HN 0.458 nan 8.190 nan 0.000 0.451 170 C N -0.186 119.207 119.300 0.155 0.000 2.425 170 C HA -0.152 4.307 4.460 -0.001 0.000 0.277 170 C C 2.673 177.849 174.990 0.310 0.000 1.280 170 C CA 0.998 60.195 59.018 0.299 0.000 1.744 170 C CB -1.010 26.936 27.740 0.345 0.000 1.989 170 C HN 0.623 nan 8.230 nan 0.000 0.491 171 E N 0.699 121.028 120.200 0.215 0.000 2.085 171 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 171 E C 2.163 178.885 176.600 0.204 0.000 0.994 171 E CA 1.209 57.741 56.400 0.220 0.000 0.801 171 E CB -0.135 29.701 29.700 0.227 0.000 0.743 171 E HN 0.647 nan 8.360 nan 0.000 0.453 172 K N 0.346 120.837 120.400 0.153 0.000 2.026 172 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 172 K C 2.235 178.909 176.600 0.123 0.000 1.048 172 K CA 1.371 57.737 56.287 0.132 0.000 0.929 172 K CB -0.136 32.358 32.500 -0.010 0.000 0.713 172 K HN 0.116 nan 8.250 nan 0.000 0.439 173 M N 0.407 120.043 119.600 0.060 0.000 2.080 173 M HA -0.188 4.291 4.480 -0.001 0.000 0.260 173 M C 2.448 178.804 176.300 0.093 0.000 1.068 173 M CA 1.857 57.139 55.300 -0.030 0.000 1.109 173 M CB -0.409 32.016 32.600 -0.291 0.000 1.342 173 M HN 0.241 nan 8.290 nan 0.000 0.405 174 A N -0.689 122.300 122.820 0.282 0.000 2.021 174 A HA 0.093 4.412 4.320 -0.001 0.000 0.216 174 A C 1.762 179.447 177.584 0.168 0.000 1.163 174 A CA 0.996 53.229 52.037 0.326 0.000 0.676 174 A CB -0.118 19.127 19.000 0.408 0.000 0.818 174 A HN 0.506 nan 8.150 nan 0.000 0.453 175 L N -3.026 118.283 121.223 0.143 0.000 3.217 175 L HA 0.204 4.543 4.340 -0.001 0.000 0.288 175 L C 1.671 178.577 176.870 0.060 0.000 1.202 175 L CA -0.040 54.828 54.840 0.045 0.000 1.027 175 L CB 0.096 42.145 42.059 -0.018 0.000 1.427 175 L HN 0.404 nan 8.230 nan 0.000 0.600 176 Y N 1.495 121.810 120.300 0.025 0.000 2.165 176 Y HA -0.307 4.242 4.550 -0.001 0.000 0.286 176 Y C 2.193 178.124 175.900 0.051 0.000 1.155 176 Y CA 2.216 60.340 58.100 0.041 0.000 1.164 176 Y CB 0.129 38.594 38.460 0.009 0.000 0.978 176 Y HN 0.226 nan 8.280 nan 0.000 0.513 177 D N -0.807 119.602 120.400 0.015 0.000 2.144 177 D HA -0.153 4.487 4.640 -0.001 0.000 0.200 177 D C 2.231 178.468 176.300 -0.104 0.000 0.978 177 D CA 1.315 55.282 54.000 -0.055 0.000 0.833 177 D CB -0.187 40.637 40.800 0.040 0.000 0.961 177 D HN 0.257 nan 8.370 nan 0.000 0.470 178 V N 0.485 120.348 119.914 -0.085 0.000 2.261 178 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 178 V C 2.696 178.699 176.094 -0.152 0.000 1.047 178 V CA 1.845 64.079 62.300 -0.109 0.000 1.015 178 V CB -0.640 31.095 31.823 -0.146 0.000 0.642 178 V HN 0.322 nan 8.190 nan 0.000 0.446 179 V N -2.558 117.248 119.914 -0.181 0.000 2.913 179 V HA -0.095 4.024 4.120 -0.001 0.000 0.260 179 V C 2.033 178.007 176.094 -0.199 0.000 1.098 179 V CA 2.058 64.253 62.300 -0.175 0.000 1.121 179 V CB -0.460 31.286 31.823 -0.128 0.000 0.714 179 V HN 0.452 nan 8.190 nan 0.000 0.487 180 S N 0.776 116.342 115.700 -0.224 0.000 2.470 180 S HA -0.029 4.441 4.470 -0.001 0.000 0.225 180 S C 1.909 176.432 174.600 -0.128 0.000 1.006 180 S CA 1.405 59.491 58.200 -0.190 0.000 0.934 180 S CB 0.040 63.041 63.200 -0.331 0.000 0.778 180 S HN 0.953 nan 8.310 nan 0.000 0.517 181 T N -0.962 113.510 114.554 -0.137 0.000 3.019 181 T HA 0.274 4.623 4.350 -0.001 0.000 0.247 181 T C 1.671 176.281 174.700 -0.150 0.000 0.992 181 T CA -0.132 61.901 62.100 -0.112 0.000 1.036 181 T CB -0.612 68.214 68.868 -0.071 0.000 1.063 181 T HN 0.211 nan 8.240 nan 0.000 0.476 182 L N 1.992 123.125 121.223 -0.150 0.000 2.013 182 L HA 0.047 4.386 4.340 -0.001 0.000 0.212 182 L C -0.835 175.878 176.870 -0.262 0.000 1.073 182 L CA 1.804 56.554 54.840 -0.149 0.000 0.753 182 L CB -0.961 41.057 42.059 -0.067 0.000 0.890 182 L HN 0.190 nan 8.230 nan 0.000 0.432 183 P HA -0.253 nan 4.420 nan 0.000 0.216 183 P C 1.387 178.236 177.300 -0.751 0.000 1.157 183 P CA 1.471 64.117 63.100 -0.757 0.000 0.880 183 P CB -0.187 30.691 31.700 -1.370 0.000 0.791 184 Q N -0.055 119.384 119.800 -0.601 0.000 2.124 184 Q HA -0.113 4.227 4.340 -0.001 0.000 0.202 184 Q C 1.989 177.864 176.000 -0.208 0.000 0.977 184 Q CA 1.532 57.167 55.803 -0.280 0.000 0.850 184 Q CB -0.742 27.933 28.738 -0.106 0.000 0.901 184 Q HN 0.083 nan 8.270 nan 0.000 0.429 185 V N 0.146 119.945 119.914 -0.193 0.000 2.358 185 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 185 V C 2.514 178.516 176.094 -0.152 0.000 1.047 185 V CA 1.403 63.622 62.300 -0.136 0.000 1.035 185 V CB -0.404 31.356 31.823 -0.104 0.000 0.658 185 V HN 0.139 nan 8.190 nan 0.000 0.452 186 V N -0.741 119.047 119.914 -0.210 0.000 2.453 186 V HA -0.171 3.948 4.120 -0.001 0.000 0.247 186 V C 1.996 177.903 176.094 -0.311 0.000 1.048 186 V CA 2.043 64.209 62.300 -0.224 0.000 1.049 186 V CB -0.410 31.268 31.823 -0.242 0.000 0.672 186 V HN 0.483 nan 8.190 nan 0.000 0.457 187 M N -1.183 118.171 119.600 -0.411 0.000 2.333 187 M HA 0.380 4.859 4.480 -0.001 0.000 0.257 187 M C 1.396 177.575 176.300 -0.202 0.000 1.078 187 M CA 0.667 55.662 55.300 -0.509 0.000 1.005 187 M CB 0.539 32.689 32.600 -0.750 0.000 1.444 187 M HN 0.425 nan 8.290 nan 0.000 0.496 188 G N 1.617 110.330 108.800 -0.146 0.000 2.594 188 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.297 188 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.297 188 G C 0.861 175.709 174.900 -0.087 0.000 1.273 188 G CA 0.860 45.915 45.100 -0.076 0.000 0.974 188 G HN 0.542 nan 8.290 nan 0.000 0.552 189 S N -0.864 114.802 115.700 -0.056 0.000 2.465 189 S HA -0.038 4.431 4.470 -0.001 0.000 0.241 189 S C 2.222 176.617 174.600 -0.341 0.000 1.000 189 S CA 2.164 60.265 58.200 -0.165 0.000 0.964 189 S CB -0.248 62.940 63.200 -0.019 0.000 0.763 189 S HN 1.054 nan 8.310 nan 0.000 0.512 190 S N 0.134 115.779 115.700 -0.092 0.000 2.481 190 S HA 0.111 4.581 4.470 -0.001 0.000 0.231 190 S C 0.286 174.869 174.600 -0.028 0.000 0.996 190 S CA -0.058 58.150 58.200 0.012 0.000 0.942 190 S CB -0.412 62.934 63.200 0.244 0.000 0.768 190 S HN 0.703 nan 8.310 nan 0.000 0.520 191 Y N 3.010 123.148 120.300 -0.270 0.000 2.531 191 Y HA 0.437 4.986 4.550 -0.001 0.000 0.347 191 Y C 1.259 176.916 175.900 -0.404 0.000 1.024 191 Y CA -1.366 56.547 58.100 -0.312 0.000 1.306 191 Y CB 0.035 38.313 38.460 -0.304 0.000 1.149 191 Y HN 0.050 nan 8.280 nan 0.000 0.527 192 G N 4.670 113.044 108.800 -0.711 0.000 2.422 192 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.218 192 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.218 192 G C 1.028 175.370 174.900 -0.930 0.000 1.140 192 G CA 0.184 44.857 45.100 -0.711 0.000 0.775 192 G HN 0.639 nan 8.290 nan 0.000 0.545 193 F N 1.476 120.688 119.950 -1.231 0.000 2.722 193 F HA 0.039 4.566 4.527 -0.001 0.000 0.298 193 F C 2.748 178.270 175.800 -0.463 0.000 1.175 193 F CA 0.740 58.145 58.000 -0.992 0.000 1.462 193 F CB -0.148 38.276 39.000 -0.961 0.000 1.111 193 F HN 0.411 nan 8.300 nan 0.000 0.592 194 Q N -1.123 118.388 119.800 -0.482 0.000 2.424 194 Q HA -0.023 4.316 4.340 -0.001 0.000 0.204 194 Q C -0.476 175.411 176.000 -0.189 0.000 0.933 194 Q CA 0.549 56.194 55.803 -0.265 0.000 0.929 194 Q CB -0.207 28.278 28.738 -0.421 0.000 1.037 194 Q HN 0.275 nan 8.270 nan 0.000 0.511 195 Y N 1.855 122.167 120.300 0.021 0.000 2.352 195 Y HA 0.352 4.901 4.550 -0.001 0.000 0.326 195 Y C 0.647 176.444 175.900 -0.171 0.000 1.166 195 Y CA -1.276 56.793 58.100 -0.052 0.000 1.182 195 Y CB 1.411 39.799 38.460 -0.121 0.000 1.216 195 Y HN 0.083 nan 8.280 nan 0.000 0.474 196 S N 1.487 116.952 115.700 -0.392 0.000 2.669 196 S HA 0.337 4.806 4.470 -0.001 0.000 0.270 196 S C -2.117 172.150 174.600 -0.556 0.000 1.225 196 S CA -1.254 56.167 58.200 -1.297 0.000 0.991 196 S CB 1.500 64.029 63.200 -1.118 0.000 0.987 196 S HN 0.395 nan 8.310 nan 0.000 0.552 197 P HA -0.033 nan 4.420 nan 0.000 0.216 197 P C 1.697 178.911 177.300 -0.144 0.000 1.153 197 P CA 1.763 64.739 63.100 -0.206 0.000 0.858 197 P CB -0.485 31.142 31.700 -0.122 0.000 0.789 198 G N -0.325 108.352 108.800 -0.205 0.000 2.418 198 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 198 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 198 G C 1.485 176.314 174.900 -0.118 0.000 1.158 198 G CA 0.575 45.610 45.100 -0.109 0.000 0.771 198 G HN 0.318 nan 8.290 nan 0.000 0.545 199 Q N -0.463 119.245 119.800 -0.154 0.000 2.224 199 Q HA 0.016 4.356 4.340 -0.001 0.000 0.203 199 Q C 2.555 178.356 176.000 -0.331 0.000 0.970 199 Q CA 0.770 56.480 55.803 -0.154 0.000 0.865 199 Q CB -0.100 28.635 28.738 -0.004 0.000 0.922 199 Q HN 0.446 nan 8.270 nan 0.000 0.445 200 R N 0.441 120.794 120.500 -0.244 0.000 2.066 200 R HA -0.129 4.210 4.340 -0.001 0.000 0.232 200 R C 2.139 178.332 176.300 -0.177 0.000 1.131 200 R CA 1.240 57.190 56.100 -0.251 0.000 0.955 200 R CB -0.164 30.097 30.300 -0.065 0.000 0.851 200 R HN 0.093 nan 8.270 nan 0.000 0.432 201 V N 1.426 121.265 119.914 -0.125 0.000 2.287 201 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 201 V C 2.351 178.355 176.094 -0.150 0.000 1.053 201 V CA 2.328 64.557 62.300 -0.118 0.000 1.027 201 V CB -0.630 31.163 31.823 -0.049 0.000 0.646 201 V HN 0.510 nan 8.190 nan 0.000 0.447 202 E N -0.419 119.705 120.200 -0.126 0.000 2.058 202 E HA -0.291 4.059 4.350 -0.001 0.000 0.194 202 E C 2.107 178.631 176.600 -0.127 0.000 0.997 202 E CA 1.870 58.204 56.400 -0.110 0.000 0.801 202 E CB -0.254 29.398 29.700 -0.079 0.000 0.746 202 E HN 0.543 nan 8.360 nan 0.000 0.450 203 F N 1.091 120.833 119.950 -0.347 0.000 2.134 203 F HA -0.129 4.397 4.527 -0.001 0.000 0.299 203 F C 1.890 177.562 175.800 -0.213 0.000 1.097 203 F CA 1.296 59.094 58.000 -0.336 0.000 1.264 203 F CB -0.242 38.389 39.000 -0.615 0.000 1.001 203 F HN 0.019 nan 8.300 nan 0.000 0.479 204 L N -0.795 120.272 121.223 -0.260 0.000 2.046 204 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 204 L C 2.371 179.078 176.870 -0.272 0.000 1.077 204 L CA 1.126 55.793 54.840 -0.288 0.000 0.747 204 L CB -0.826 41.116 42.059 -0.196 0.000 0.896 204 L HN 0.000 nan 8.230 nan 0.000 0.432 205 V N -0.094 119.648 119.914 -0.287 0.000 2.307 205 V HA -0.250 3.870 4.120 -0.001 0.000 0.245 205 V C 2.206 178.199 176.094 -0.168 0.000 1.045 205 V CA 1.770 63.895 62.300 -0.293 0.000 1.024 205 V CB -0.679 30.882 31.823 -0.437 0.000 0.651 205 V HN 0.474 nan 8.190 nan 0.000 0.449 206 N N 0.121 118.706 118.700 -0.191 0.000 2.120 206 N HA -0.133 4.606 4.740 -0.001 0.000 0.188 206 N C 1.926 177.321 175.510 -0.192 0.000 1.024 206 N CA 1.935 54.893 53.050 -0.153 0.000 0.852 206 N CB -0.590 37.820 38.487 -0.129 0.000 1.003 206 N HN 0.450 nan 8.380 nan 0.000 0.424 207 T N 0.536 114.884 114.554 -0.343 0.000 2.777 207 T HA -0.135 4.214 4.350 -0.001 0.000 0.266 207 T C 1.493 176.098 174.700 -0.160 0.000 1.040 207 T CA 0.612 62.501 62.100 -0.352 0.000 1.141 207 T CB -0.219 68.281 68.868 -0.613 0.000 0.868 207 T HN 0.429 nan 8.240 nan 0.000 0.444 208 W N 2.291 123.418 121.300 -0.289 0.000 2.363 208 W HA -0.083 4.577 4.660 -0.001 0.000 0.296 208 W C 1.663 178.088 176.519 -0.156 0.000 1.212 208 W CA 1.141 58.361 57.345 -0.209 0.000 1.260 208 W CB -0.136 29.194 29.460 -0.217 0.000 1.131 208 W HN 0.264 nan 8.180 nan 0.000 0.530 209 K N 0.178 120.584 120.400 0.011 0.000 2.366 209 K HA -0.093 4.227 4.320 -0.001 0.000 0.198 209 K C 2.034 178.576 176.600 -0.097 0.000 1.044 209 K CA 1.350 57.614 56.287 -0.038 0.000 0.973 209 K CB -0.178 32.319 32.500 -0.005 0.000 0.767 209 K HN 0.033 nan 8.250 nan 0.000 0.475 210 S N 0.425 116.052 115.700 -0.122 0.000 2.562 210 S HA 0.042 4.512 4.470 -0.001 0.000 0.221 210 S C 0.465 174.985 174.600 -0.134 0.000 0.975 210 S CA 0.115 58.248 58.200 -0.111 0.000 0.918 210 S CB 0.071 63.207 63.200 -0.106 0.000 0.772 210 S HN -0.045 nan 8.310 nan 0.000 0.531 211 K N 1.609 121.890 120.400 -0.199 0.000 2.123 211 K HA 0.426 4.746 4.320 -0.001 0.000 0.259 211 K C 0.468 176.953 176.600 -0.192 0.000 0.960 211 K CA -0.590 55.569 56.287 -0.213 0.000 0.872 211 K CB 1.157 33.468 32.500 -0.314 0.000 1.079 211 K HN 0.075 nan 8.250 nan 0.000 0.440 212 K N 0.836 121.151 120.400 -0.142 0.000 2.031 212 K HA -0.012 4.307 4.320 -0.001 0.000 0.205 212 K C 0.031 176.555 176.600 -0.126 0.000 1.049 212 K CA 1.054 57.276 56.287 -0.108 0.000 0.939 212 K CB 0.158 32.613 32.500 -0.075 0.000 0.717 212 K HN 0.410 nan 8.250 nan 0.000 0.438 213 N N 1.276 119.887 118.700 -0.147 0.000 2.716 213 N HA 0.197 4.937 4.740 -0.001 0.000 0.253 213 N C -2.840 172.531 175.510 -0.232 0.000 1.170 213 N CA -1.293 51.673 53.050 -0.141 0.000 0.807 213 N CB 1.453 39.899 38.487 -0.068 0.000 1.183 213 N HN 0.039 nan 8.380 nan 0.000 0.524 214 P HA 0.095 nan 4.420 nan 0.000 0.268 214 P C -0.241 176.659 177.300 -0.666 0.000 1.205 214 P CA -0.164 62.418 63.100 -0.864 0.000 0.771 214 P CB 1.158 31.711 31.700 -1.912 0.000 0.858 215 M N 2.141 121.424 119.600 -0.529 0.000 2.421 215 M HA 0.642 5.121 4.480 -0.001 0.000 0.287 215 M C -1.400 174.838 176.300 -0.103 0.000 1.183 215 M CA -0.265 54.875 55.300 -0.267 0.000 0.916 215 M CB 2.381 34.893 32.600 -0.146 0.000 1.701 215 M HN 0.616 nan 8.290 nan 0.000 0.470 216 G N 3.439 112.292 108.800 0.088 0.000 2.692 216 G HA2 0.833 4.792 3.960 -0.001 0.000 0.291 216 G HA3 0.833 4.792 3.960 -0.001 0.000 0.291 216 G C -2.087 172.900 174.900 0.144 0.000 1.423 216 G CA -0.630 44.535 45.100 0.109 0.000 0.843 216 G HN 0.879 nan 8.290 nan 0.000 0.486 217 F N -0.753 119.167 119.950 -0.050 0.000 2.693 217 F HA 0.815 5.342 4.527 -0.001 0.000 0.309 217 F C -0.266 175.526 175.800 -0.013 0.000 1.129 217 F CA -1.368 56.602 58.000 -0.050 0.000 0.948 217 F CB 1.390 40.346 39.000 -0.075 0.000 1.315 217 F HN 0.685 nan 8.300 nan 0.000 0.447 218 S N 0.765 116.563 115.700 0.163 0.000 2.549 218 S HA 0.653 5.122 4.470 -0.001 0.000 0.297 218 S C -1.629 173.166 174.600 0.326 0.000 1.115 218 S CA -0.593 57.675 58.200 0.113 0.000 1.059 218 S CB 1.664 64.904 63.200 0.067 0.000 1.046 218 S HN 0.894 nan 8.310 nan 0.000 0.506 219 Y N 1.605 122.029 120.300 0.207 0.000 2.338 219 Y HA 0.427 4.977 4.550 -0.001 0.000 0.328 219 Y C -0.896 175.132 175.900 0.214 0.000 0.965 219 Y CA -0.789 57.490 58.100 0.298 0.000 1.208 219 Y CB 1.185 39.917 38.460 0.455 0.000 1.132 219 Y HN 0.867 nan 8.280 nan 0.000 0.469 220 D N 4.460 124.736 120.400 -0.206 0.000 2.347 220 D HA 0.203 4.842 4.640 -0.001 0.000 0.235 220 D C -0.594 175.607 176.300 -0.165 0.000 1.149 220 D CA 0.016 53.961 54.000 -0.091 0.000 0.850 220 D CB 0.974 41.736 40.800 -0.062 0.000 1.061 220 D HN 0.467 nan 8.370 nan 0.000 0.487 221 T N 3.923 118.566 114.554 0.149 0.000 2.897 221 T HA 0.139 4.489 4.350 -0.001 0.000 0.294 221 T C 0.342 175.158 174.700 0.193 0.000 1.004 221 T CA -0.535 61.731 62.100 0.277 0.000 1.106 221 T CB 0.815 70.058 68.868 0.625 0.000 0.949 221 T HN 0.289 nan 8.240 nan 0.000 0.520 222 R N 2.016 122.588 120.500 0.121 0.000 2.316 222 R HA 0.138 4.477 4.340 -0.001 0.000 0.314 222 R C -0.314 176.105 176.300 0.198 0.000 1.069 222 R CA -0.239 55.923 56.100 0.103 0.000 0.959 222 R CB -0.478 29.827 30.300 0.009 0.000 0.987 222 R HN 0.958 nan 8.270 nan 0.000 0.446 223 C N 5.930 125.373 119.300 0.238 0.000 3.349 223 C HA -0.171 4.288 4.460 -0.001 0.000 0.275 223 C C 1.457 176.662 174.990 0.358 0.000 1.322 223 C CA 0.198 59.403 59.018 0.312 0.000 2.261 223 C CB -2.947 25.029 27.740 0.394 0.000 1.446 223 C HN 1.003 nan 8.230 nan 0.000 0.533 224 F N 1.916 121.988 119.950 0.203 0.000 2.087 224 F HA -0.201 4.325 4.527 -0.001 0.000 0.299 224 F C 1.948 177.860 175.800 0.186 0.000 1.100 224 F CA 2.474 60.592 58.000 0.197 0.000 1.226 224 F CB -0.028 39.077 39.000 0.176 0.000 0.983 224 F HN 0.478 nan 8.300 nan 0.000 0.479 225 D N -0.440 120.223 120.400 0.438 0.000 2.158 225 D HA -0.174 4.465 4.640 -0.001 0.000 0.197 225 D C 2.442 178.820 176.300 0.130 0.000 0.995 225 D CA 1.702 55.879 54.000 0.295 0.000 0.846 225 D CB -0.545 40.419 40.800 0.273 0.000 0.941 225 D HN 0.252 nan 8.370 nan 0.000 0.456 226 S N -0.614 115.174 115.700 0.146 0.000 2.453 226 S HA -0.094 4.375 4.470 -0.001 0.000 0.231 226 S C 2.002 176.601 174.600 -0.002 0.000 1.005 226 S CA 1.328 59.520 58.200 -0.013 0.000 0.949 226 S CB -0.158 63.006 63.200 -0.059 0.000 0.774 226 S HN 0.530 nan 8.310 nan 0.000 0.510 227 T N -0.628 113.986 114.554 0.100 0.000 3.067 227 T HA 0.141 4.491 4.350 -0.001 0.000 0.261 227 T C 0.599 175.240 174.700 -0.099 0.000 1.110 227 T CA 0.007 62.147 62.100 0.066 0.000 1.113 227 T CB -0.362 68.481 68.868 -0.042 0.000 0.917 227 T HN 0.027 nan 8.240 nan 0.000 0.499 228 V N 4.117 123.940 119.914 -0.151 0.000 2.479 228 V HA 0.313 4.433 4.120 -0.001 0.000 0.281 228 V C 1.160 177.213 176.094 -0.068 0.000 1.031 228 V CA -0.211 62.020 62.300 -0.115 0.000 1.038 228 V CB 0.030 31.831 31.823 -0.037 0.000 0.981 228 V HN 0.722 nan 8.190 nan 0.000 0.478 229 T N 0.861 115.386 114.554 -0.049 0.000 2.897 229 T HA 0.302 4.651 4.350 -0.001 0.000 0.278 229 T C 1.056 175.743 174.700 -0.021 0.000 0.981 229 T CA -0.275 61.802 62.100 -0.039 0.000 0.973 229 T CB 1.467 70.316 68.868 -0.032 0.000 1.092 229 T HN 0.689 nan 8.240 nan 0.000 0.543 230 E N 0.436 120.625 120.200 -0.019 0.000 2.085 230 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 230 E C 1.936 178.540 176.600 0.006 0.000 0.994 230 E CA 1.636 58.036 56.400 -0.000 0.000 0.801 230 E CB -0.240 29.460 29.700 -0.001 0.000 0.743 230 E HN 0.779 nan 8.360 nan 0.000 0.453 231 N N 0.666 119.364 118.700 -0.004 0.000 2.069 231 N HA -0.209 4.531 4.740 -0.001 0.000 0.191 231 N C 1.491 177.013 175.510 0.020 0.000 1.031 231 N CA 2.155 55.206 53.050 0.002 0.000 0.852 231 N CB -0.143 38.332 38.487 -0.021 0.000 1.018 231 N HN 0.119 nan 8.380 nan 0.000 0.423 232 D N 0.120 120.531 120.400 0.018 0.000 2.116 232 D HA -0.149 4.491 4.640 -0.001 0.000 0.193 232 D C 1.936 178.249 176.300 0.022 0.000 0.998 232 D CA 1.138 55.160 54.000 0.037 0.000 0.836 232 D CB -0.315 40.500 40.800 0.025 0.000 0.951 232 D HN 0.478 nan 8.370 nan 0.000 0.449 233 I N 0.351 120.936 120.570 0.025 0.000 2.439 233 I HA -0.159 4.011 4.170 -0.001 0.000 0.251 233 I C 2.380 178.514 176.117 0.029 0.000 1.139 233 I CA 0.772 62.095 61.300 0.038 0.000 1.438 233 I CB -0.037 38.007 38.000 0.073 0.000 1.085 233 I HN -0.100 nan 8.210 nan 0.000 0.427 234 R N -0.102 120.412 120.500 0.022 0.000 2.119 234 R HA -0.019 4.321 4.340 -0.001 0.000 0.222 234 R C 2.293 178.581 176.300 -0.020 0.000 1.088 234 R CA 0.751 56.860 56.100 0.015 0.000 0.984 234 R CB -0.194 30.117 30.300 0.019 0.000 0.884 234 R HN 0.184 nan 8.270 nan 0.000 0.447 235 V N 1.376 121.279 119.914 -0.019 0.000 2.427 235 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 235 V C 1.873 177.881 176.094 -0.143 0.000 1.051 235 V CA 1.727 64.001 62.300 -0.043 0.000 1.048 235 V CB -0.324 31.509 31.823 0.017 0.000 0.666 235 V HN 0.317 nan 8.190 nan 0.000 0.456 236 E N -0.261 119.826 120.200 -0.187 0.000 2.058 236 E HA -0.260 4.090 4.350 -0.001 0.000 0.194 236 E C 2.341 178.503 176.600 -0.730 0.000 0.997 236 E CA 1.411 57.549 56.400 -0.438 0.000 0.801 236 E CB -0.146 29.350 29.700 -0.340 0.000 0.746 236 E HN 0.590 nan 8.360 nan 0.000 0.450 237 E N 0.482 120.478 120.200 -0.339 0.000 2.110 237 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 237 E C 2.125 178.667 176.600 -0.097 0.000 0.988 237 E CA 1.422 57.747 56.400 -0.124 0.000 0.804 237 E CB 0.034 29.782 29.700 0.081 0.000 0.745 237 E HN 0.231 nan 8.360 nan 0.000 0.458 238 S N 0.266 115.904 115.700 -0.103 0.000 2.399 238 S HA -0.140 4.329 4.470 -0.001 0.000 0.231 238 S C 2.043 176.596 174.600 -0.080 0.000 1.022 238 S CA 0.898 59.062 58.200 -0.059 0.000 0.983 238 S CB -0.480 62.691 63.200 -0.048 0.000 0.803 238 S HN 0.267 nan 8.310 nan 0.000 0.480 239 I N 0.045 120.510 120.570 -0.176 0.000 2.193 239 I HA -0.104 4.065 4.170 -0.001 0.000 0.240 239 I C 2.363 178.456 176.117 -0.040 0.000 1.084 239 I CA 1.250 62.460 61.300 -0.150 0.000 1.365 239 I CB -0.570 37.290 38.000 -0.234 0.000 1.064 239 I HN 0.197 nan 8.210 nan 0.000 0.410 240 Y N 1.272 121.568 120.300 -0.007 0.000 2.151 240 Y HA -0.266 4.283 4.550 -0.001 0.000 0.284 240 Y C 2.663 178.569 175.900 0.009 0.000 1.166 240 Y CA 0.816 58.917 58.100 0.001 0.000 1.163 240 Y CB -1.186 37.289 38.460 0.026 0.000 0.974 240 Y HN 0.252 nan 8.280 nan 0.000 0.511 241 Q N -1.183 118.716 119.800 0.164 0.000 2.439 241 Q HA -0.132 4.208 4.340 -0.001 0.000 0.211 241 Q C 2.305 178.340 176.000 0.059 0.000 0.978 241 Q CA 0.966 56.828 55.803 0.098 0.000 0.897 241 Q CB -0.797 27.983 28.738 0.069 0.000 0.956 241 Q HN 0.536 nan 8.270 nan 0.000 0.483 242 C N 0.064 119.391 119.300 0.045 0.000 2.446 242 C HA -0.023 4.436 4.460 -0.001 0.000 0.279 242 C C 1.607 176.613 174.990 0.027 0.000 1.366 242 C CA -0.697 58.335 59.018 0.023 0.000 1.763 242 C CB -0.614 27.128 27.740 0.003 0.000 1.929 242 C HN 0.424 nan 8.230 nan 0.000 0.509 243 C N 1.889 121.215 119.300 0.044 0.000 2.727 243 C HA 0.111 4.570 4.460 -0.001 0.000 0.401 243 C C 0.563 175.573 174.990 0.032 0.000 1.294 243 C CA -0.258 58.781 59.018 0.035 0.000 2.134 243 C CB -0.273 27.494 27.740 0.044 0.000 2.724 243 C HN 0.510 nan 8.230 nan 0.000 0.677 244 D N 1.446 121.861 120.400 0.024 0.000 2.325 244 D HA 0.484 5.124 4.640 -0.001 0.000 0.251 244 D C -0.688 175.631 176.300 0.031 0.000 1.196 244 D CA 0.341 54.355 54.000 0.024 0.000 0.866 244 D CB 0.122 40.932 40.800 0.017 0.000 1.101 244 D HN 0.414 nan 8.370 nan 0.000 0.476 245 L N 1.923 123.169 121.223 0.037 0.000 2.376 245 L HA 0.626 4.965 4.340 -0.001 0.000 0.258 245 L C 0.203 177.102 176.870 0.049 0.000 1.013 245 L CA -1.420 53.448 54.840 0.047 0.000 0.822 245 L CB 1.799 43.893 42.059 0.059 0.000 1.388 245 L HN 0.339 nan 8.230 nan 0.000 0.413 246 A N 1.415 124.271 122.820 0.060 0.000 2.445 246 A HA 0.393 4.712 4.320 -0.001 0.000 0.242 246 A C -1.854 175.773 177.584 0.072 0.000 1.075 246 A CA -0.855 51.219 52.037 0.063 0.000 0.777 246 A CB -0.077 18.968 19.000 0.075 0.000 1.013 246 A HN 0.631 nan 8.150 nan 0.000 0.493 247 P HA -0.178 nan 4.420 nan 0.000 0.216 247 P C 1.231 178.572 177.300 0.068 0.000 1.150 247 P CA 1.671 64.803 63.100 0.054 0.000 0.843 247 P CB 0.256 31.981 31.700 0.042 0.000 0.787 248 E N -0.842 119.424 120.200 0.111 0.000 2.150 248 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 248 E C 1.940 178.655 176.600 0.192 0.000 0.985 248 E CA 0.881 57.382 56.400 0.168 0.000 0.814 248 E CB -0.385 29.494 29.700 0.297 0.000 0.752 248 E HN 0.081 nan 8.360 nan 0.000 0.466 249 A N 1.020 123.959 122.820 0.198 0.000 1.898 249 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 249 A C 2.058 179.702 177.584 0.099 0.000 1.181 249 A CA 1.120 53.275 52.037 0.196 0.000 0.620 249 A CB -0.306 18.789 19.000 0.159 0.000 0.819 249 A HN 0.124 nan 8.150 nan 0.000 0.442 250 R N -1.011 119.532 120.500 0.071 0.000 2.073 250 R HA -0.185 4.154 4.340 -0.001 0.000 0.234 250 R C 2.508 178.815 176.300 0.012 0.000 1.134 250 R CA 1.727 57.856 56.100 0.048 0.000 0.952 250 R CB -0.314 30.011 30.300 0.041 0.000 0.850 250 R HN 0.631 nan 8.270 nan 0.000 0.433 251 Q N 0.780 120.569 119.800 -0.019 0.000 2.050 251 Q HA -0.099 4.241 4.340 -0.001 0.000 0.202 251 Q C 1.972 177.885 176.000 -0.145 0.000 0.980 251 Q CA 2.046 57.804 55.803 -0.075 0.000 0.840 251 Q CB -0.272 28.411 28.738 -0.092 0.000 0.898 251 Q HN 0.337 nan 8.270 nan 0.000 0.424 252 A N 0.143 122.836 122.820 -0.213 0.000 1.908 252 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 252 A C 2.142 179.631 177.584 -0.158 0.000 1.181 252 A CA 1.604 53.431 52.037 -0.350 0.000 0.627 252 A CB -0.762 17.913 19.000 -0.543 0.000 0.818 252 A HN 0.496 nan 8.150 nan 0.000 0.445 253 I N -0.639 119.911 120.570 -0.033 0.000 2.315 253 I HA -0.231 3.938 4.170 -0.001 0.000 0.248 253 I C 2.510 178.659 176.117 0.054 0.000 1.117 253 I CA 1.733 63.066 61.300 0.055 0.000 1.404 253 I CB -0.181 37.888 38.000 0.115 0.000 1.071 253 I HN 0.412 nan 8.210 nan 0.000 0.419 254 K N 0.518 120.927 120.400 0.016 0.000 2.026 254 K HA -0.204 4.116 4.320 -0.001 0.000 0.208 254 K C 2.344 178.921 176.600 -0.039 0.000 1.048 254 K CA 1.841 58.133 56.287 0.010 0.000 0.929 254 K CB -0.126 32.370 32.500 -0.007 0.000 0.713 254 K HN 0.099 nan 8.250 nan 0.000 0.439 255 S N 0.596 116.239 115.700 -0.095 0.000 2.356 255 S HA -0.067 4.403 4.470 -0.001 0.000 0.223 255 S C 1.945 176.441 174.600 -0.174 0.000 1.032 255 S CA 1.049 59.169 58.200 -0.134 0.000 1.005 255 S CB -0.249 62.841 63.200 -0.184 0.000 0.867 255 S HN 0.366 nan 8.310 nan 0.000 0.449 256 L N 0.739 121.823 121.223 -0.232 0.000 2.083 256 L HA -0.094 4.246 4.340 -0.001 0.000 0.209 256 L C 2.728 179.277 176.870 -0.536 0.000 1.083 256 L CA 1.464 56.037 54.840 -0.445 0.000 0.752 256 L CB -0.882 40.860 42.059 -0.529 0.000 0.899 256 L HN 0.340 nan 8.230 nan 0.000 0.433 257 T N -1.069 113.375 114.554 -0.184 0.000 2.701 257 T HA -0.142 4.208 4.350 -0.001 0.000 0.263 257 T C 1.794 176.500 174.700 0.010 0.000 1.040 257 T CA 1.116 63.251 62.100 0.058 0.000 1.147 257 T CB -0.078 68.903 68.868 0.189 0.000 0.865 257 T HN 0.273 nan 8.240 nan 0.000 0.426 258 E N 1.194 121.381 120.200 -0.022 0.000 2.072 258 E HA -0.037 4.312 4.350 -0.001 0.000 0.191 258 E C 2.382 178.965 176.600 -0.028 0.000 0.985 258 E CA 0.998 57.390 56.400 -0.013 0.000 0.801 258 E CB -0.151 29.537 29.700 -0.021 0.000 0.750 258 E HN 0.471 nan 8.360 nan 0.000 0.452 259 R N -0.455 119.998 120.500 -0.077 0.000 2.173 259 R HA 0.081 4.420 4.340 -0.001 0.000 0.208 259 R C 1.986 178.230 176.300 -0.092 0.000 1.035 259 R CA 0.461 56.516 56.100 -0.075 0.000 1.004 259 R CB 0.170 30.413 30.300 -0.096 0.000 0.917 259 R HN 0.059 nan 8.270 nan 0.000 0.462 260 L N -2.097 119.030 121.223 -0.161 0.000 2.664 260 L HA 0.178 4.517 4.340 -0.001 0.000 0.198 260 L C 1.379 178.259 176.870 0.015 0.000 1.057 260 L CA 0.690 55.449 54.840 -0.136 0.000 0.871 260 L CB -0.272 41.635 42.059 -0.253 0.000 1.364 260 L HN -0.135 nan 8.230 nan 0.000 0.483 261 Y N 0.677 120.995 120.300 0.029 0.000 2.165 261 Y HA -0.108 4.441 4.550 -0.001 0.000 0.286 261 Y C 2.572 178.483 175.900 0.018 0.000 1.155 261 Y CA 1.518 59.644 58.100 0.044 0.000 1.164 261 Y CB -0.985 37.526 38.460 0.084 0.000 0.978 261 Y HN 0.150 nan 8.280 nan 0.000 0.513 262 I N -1.106 119.561 120.570 0.161 0.000 2.493 262 I HA -0.003 4.166 4.170 -0.001 0.000 0.254 262 I C 1.178 177.309 176.117 0.024 0.000 1.160 262 I CA 1.182 62.531 61.300 0.082 0.000 1.445 262 I CB -0.421 37.619 38.000 0.066 0.000 1.086 262 I HN 0.290 nan 8.210 nan 0.000 0.433 263 G N -0.725 108.068 108.800 -0.011 0.000 2.320 263 G HA2 0.482 4.441 3.960 -0.001 0.000 0.297 263 G HA3 0.482 4.441 3.960 -0.001 0.000 0.297 263 G C -1.088 173.654 174.900 -0.263 0.000 1.344 263 G CA -0.112 44.907 45.100 -0.136 0.000 0.851 263 G HN 0.361 nan 8.290 nan 0.000 0.567 264 G N -0.764 107.595 108.800 -0.736 0.000 2.325 264 G HA2 0.735 4.694 3.960 -0.001 0.000 0.297 264 G HA3 0.735 4.694 3.960 -0.001 0.000 0.297 264 G C -3.443 170.860 174.900 -0.995 0.000 1.448 264 G CA -0.010 44.651 45.100 -0.731 0.000 0.838 264 G HN 0.734 nan 8.290 nan 0.000 0.579 265 P HA 0.420 nan 4.420 nan 0.000 0.272 265 P C -0.594 176.618 177.300 -0.146 0.000 1.223 265 P CA -0.125 62.879 63.100 -0.160 0.000 0.784 265 P CB 1.233 32.971 31.700 0.062 0.000 0.923 266 L N 2.225 123.404 121.223 -0.074 0.000 2.325 266 L HA 0.432 4.771 4.340 -0.001 0.000 0.281 266 L C 0.422 177.294 176.870 0.003 0.000 1.004 266 L CA -0.273 54.545 54.840 -0.036 0.000 0.823 266 L CB 1.714 43.783 42.059 0.017 0.000 1.236 266 L HN 0.271 nan 8.230 nan 0.000 0.415 267 T N 1.312 115.845 114.554 -0.034 0.000 2.823 267 T HA 0.355 4.705 4.350 -0.001 0.000 0.279 267 T C -0.166 174.512 174.700 -0.035 0.000 0.998 267 T CA -0.833 61.251 62.100 -0.027 0.000 0.994 267 T CB 1.495 70.331 68.868 -0.053 0.000 0.960 267 T HN 0.632 nan 8.240 nan 0.000 0.448 268 N N 0.516 119.213 118.700 -0.006 0.000 2.413 268 N HA 0.146 4.885 4.740 -0.001 0.000 0.266 268 N C 1.400 176.900 175.510 -0.017 0.000 1.238 268 N CA -0.433 52.615 53.050 -0.003 0.000 0.972 268 N CB 0.170 38.666 38.487 0.015 0.000 1.210 268 N HN 0.461 nan 8.380 nan 0.000 0.547 269 S N -1.084 114.614 115.700 -0.002 0.000 2.469 269 S HA -0.120 4.349 4.470 -0.001 0.000 0.238 269 S C 0.968 175.563 174.600 -0.008 0.000 0.998 269 S CA 0.710 58.910 58.200 0.001 0.000 0.957 269 S CB -0.445 62.769 63.200 0.023 0.000 0.764 269 S HN 0.627 nan 8.310 nan 0.000 0.514 270 K N 0.399 120.795 120.400 -0.006 0.000 2.393 270 K HA 0.262 4.581 4.320 -0.001 0.000 0.193 270 K C 1.267 177.859 176.600 -0.014 0.000 1.026 270 K CA 0.444 56.727 56.287 -0.007 0.000 1.064 270 K CB 0.070 32.569 32.500 -0.000 0.000 0.833 270 K HN 0.552 nan 8.250 nan 0.000 0.521 271 G N 1.835 110.623 108.800 -0.019 0.000 2.159 271 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.227 271 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.227 271 G C -0.237 174.659 174.900 -0.007 0.000 0.986 271 G CA -0.264 44.822 45.100 -0.023 0.000 0.651 271 G HN 0.307 nan 8.290 nan 0.000 0.523 272 Q N 0.156 119.958 119.800 0.003 0.000 2.260 272 Q HA 0.344 4.684 4.340 -0.001 0.000 0.242 272 Q C 0.298 176.315 176.000 0.028 0.000 0.932 272 Q CA -0.575 55.239 55.803 0.017 0.000 0.891 272 Q CB 1.006 29.758 28.738 0.023 0.000 1.222 272 Q HN 0.367 nan 8.270 nan 0.000 0.453 273 N N 1.341 120.065 118.700 0.040 0.000 2.420 273 N HA 0.025 4.764 4.740 -0.001 0.000 0.262 273 N C -0.190 175.373 175.510 0.088 0.000 1.144 273 N CA -0.379 52.704 53.050 0.056 0.000 0.952 273 N CB 0.606 39.128 38.487 0.058 0.000 1.081 273 N HN 0.599 nan 8.380 nan 0.000 0.480 274 C N 2.935 122.304 119.300 0.116 0.000 2.533 274 C HA 0.369 4.828 4.460 -0.001 0.000 0.272 274 C C 1.294 176.454 174.990 0.283 0.000 1.371 274 C CA 0.590 59.732 59.018 0.206 0.000 1.758 274 C CB -1.053 26.836 27.740 0.249 0.000 1.972 274 C HN 0.960 nan 8.230 nan 0.000 0.522 275 G N -1.617 107.276 108.800 0.156 0.000 2.373 275 G HA2 0.280 4.239 3.960 -0.001 0.000 0.250 275 G HA3 0.280 4.239 3.960 -0.001 0.000 0.250 275 G C -2.108 172.819 174.900 0.044 0.000 1.304 275 G CA -0.404 44.740 45.100 0.074 0.000 0.948 275 G HN 0.017 nan 8.290 nan 0.000 0.474 276 Y N 0.712 120.885 120.300 -0.212 0.000 2.492 276 Y HA 0.766 5.315 4.550 -0.001 0.000 0.346 276 Y C 0.034 175.805 175.900 -0.215 0.000 0.997 276 Y CA -0.845 57.155 58.100 -0.166 0.000 1.025 276 Y CB 2.036 40.414 38.460 -0.136 0.000 1.263 276 Y HN 0.698 nan 8.280 nan 0.000 0.454 277 R N 4.585 124.789 120.500 -0.493 0.000 2.460 277 R HA 0.562 4.901 4.340 -0.001 0.000 0.303 277 R C -0.699 175.385 176.300 -0.360 0.000 0.968 277 R CA -0.558 55.286 56.100 -0.426 0.000 0.889 277 R CB 0.923 31.052 30.300 -0.285 0.000 1.123 277 R HN 0.924 nan 8.270 nan 0.000 0.455 278 R N 3.068 123.357 120.500 -0.352 0.000 2.642 278 R HA 0.207 4.546 4.340 -0.001 0.000 0.435 278 R C -0.485 175.680 176.300 -0.225 0.000 1.046 278 R CA -0.308 55.687 56.100 -0.175 0.000 1.103 278 R CB 0.500 30.748 30.300 -0.087 0.000 1.425 278 R HN 0.775 nan 8.270 nan 0.000 0.586 279 C N -1.625 117.488 119.300 -0.312 0.000 3.308 279 C HA 0.636 5.095 4.460 -0.001 0.000 0.360 279 C C -0.082 174.840 174.990 -0.112 0.000 1.695 279 C CA -1.491 57.390 59.018 -0.229 0.000 1.366 279 C CB 1.207 28.741 27.740 -0.345 0.000 2.121 279 C HN 0.321 nan 8.230 nan 0.000 0.442 280 R N 1.175 121.660 120.500 -0.024 0.000 2.522 280 R HA 0.474 4.814 4.340 -0.001 0.000 0.284 280 R C 0.033 176.387 176.300 0.090 0.000 1.032 280 R CA 0.918 57.056 56.100 0.063 0.000 1.049 280 R CB -0.109 30.271 30.300 0.134 0.000 0.956 280 R HN 1.151 nan 8.270 nan 0.000 0.422 281 A N 3.486 126.373 122.820 0.112 0.000 2.328 281 A HA 0.242 4.561 4.320 -0.001 0.000 0.284 281 A C 0.979 178.662 177.584 0.164 0.000 1.160 281 A CA 0.053 52.177 52.037 0.145 0.000 0.818 281 A CB 0.527 19.623 19.000 0.160 0.000 1.087 281 A HN 1.014 nan 8.150 nan 0.000 0.504 282 S N 2.029 117.840 115.700 0.186 0.000 2.489 282 S HA 0.072 4.541 4.470 -0.001 0.000 0.228 282 S C 1.057 175.758 174.600 0.168 0.000 0.995 282 S CA 0.797 59.103 58.200 0.177 0.000 0.934 282 S CB 0.032 63.344 63.200 0.186 0.000 0.771 282 S HN 1.277 nan 8.310 nan 0.000 0.522 283 G N 1.874 110.794 108.800 0.201 0.000 4.644 283 G HA2 0.529 4.489 3.960 -0.001 0.000 0.307 283 G HA3 0.529 4.489 3.960 -0.001 0.000 0.307 283 G C -0.160 174.868 174.900 0.214 0.000 1.331 283 G CA -0.116 45.107 45.100 0.205 0.000 1.059 283 G HN 0.564 nan 8.290 nan 0.000 0.590 284 V N -2.381 117.643 119.914 0.184 0.000 3.103 284 V HA 0.587 4.706 4.120 -0.001 0.000 0.318 284 V C 1.384 177.563 176.094 0.141 0.000 1.114 284 V CA -0.957 61.468 62.300 0.208 0.000 1.020 284 V CB 1.670 33.674 31.823 0.301 0.000 1.085 284 V HN 0.073 nan 8.190 nan 0.000 0.446 285 L N 2.110 123.430 121.223 0.162 0.000 2.083 285 L HA -0.039 4.301 4.340 -0.001 0.000 0.209 285 L C 2.287 179.184 176.870 0.046 0.000 1.083 285 L CA 3.030 57.949 54.840 0.131 0.000 0.752 285 L CB -0.740 41.420 42.059 0.170 0.000 0.899 285 L HN 1.088 nan 8.230 nan 0.000 0.433 286 T N -5.656 108.845 114.554 -0.089 0.000 3.169 286 T HA 0.006 4.356 4.350 -0.001 0.000 0.250 286 T C 1.521 176.171 174.700 -0.083 0.000 1.111 286 T CA 0.694 62.695 62.100 -0.166 0.000 1.010 286 T CB -0.746 67.867 68.868 -0.425 0.000 0.984 286 T HN 0.275 nan 8.240 nan 0.000 0.537 287 T N 1.843 116.383 114.554 -0.023 0.000 2.684 287 T HA -0.146 4.203 4.350 -0.001 0.000 0.267 287 T C 2.208 176.940 174.700 0.053 0.000 1.036 287 T CA 1.725 63.846 62.100 0.036 0.000 1.148 287 T CB -0.583 68.330 68.868 0.076 0.000 0.863 287 T HN 0.546 nan 8.240 nan 0.000 0.436 288 S N -0.252 115.464 115.700 0.026 0.000 2.345 288 S HA -0.137 4.332 4.470 -0.001 0.000 0.220 288 S C 2.444 177.091 174.600 0.078 0.000 1.031 288 S CA 1.315 59.532 58.200 0.029 0.000 0.996 288 S CB -0.934 62.191 63.200 -0.125 0.000 0.882 288 S HN 0.661 nan 8.310 nan 0.000 0.445 289 C N 1.297 120.614 119.300 0.028 0.000 2.432 289 C HA 0.090 4.549 4.460 -0.001 0.000 0.277 289 C C 2.842 177.888 174.990 0.094 0.000 1.249 289 C CA 1.147 60.192 59.018 0.046 0.000 1.725 289 C CB -1.795 25.945 27.740 -0.001 0.000 2.028 289 C HN 0.718 nan 8.230 nan 0.000 0.477 290 G N 0.505 109.370 108.800 0.109 0.000 2.446 290 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 290 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 290 G C 1.507 176.494 174.900 0.146 0.000 1.168 290 G CA 1.136 46.307 45.100 0.119 0.000 0.771 290 G HN 0.594 nan 8.290 nan 0.000 0.551 291 N N 0.388 119.181 118.700 0.155 0.000 2.120 291 N HA -0.080 4.659 4.740 -0.001 0.000 0.188 291 N C 2.403 177.955 175.510 0.071 0.000 1.024 291 N CA 1.623 54.771 53.050 0.162 0.000 0.852 291 N CB -0.749 37.739 38.487 0.003 0.000 1.003 291 N HN 0.256 nan 8.380 nan 0.000 0.424 292 T N 1.778 116.384 114.554 0.087 0.000 2.708 292 T HA -0.010 4.340 4.350 -0.001 0.000 0.266 292 T C 2.144 176.917 174.700 0.121 0.000 1.037 292 T CA 0.696 62.858 62.100 0.105 0.000 1.146 292 T CB -0.331 68.657 68.868 0.201 0.000 0.865 292 T HN 0.123 nan 8.240 nan 0.000 0.435 293 L N 0.662 121.933 121.223 0.081 0.000 2.012 293 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 293 L C 2.960 179.916 176.870 0.142 0.000 1.073 293 L CA 1.360 56.235 54.840 0.057 0.000 0.748 293 L CB -1.103 40.947 42.059 -0.015 0.000 0.891 293 L HN 0.293 nan 8.230 nan 0.000 0.431 294 T N -1.379 113.279 114.554 0.173 0.000 2.746 294 T HA -0.237 4.112 4.350 -0.001 0.000 0.267 294 T C 2.004 176.894 174.700 0.318 0.000 1.039 294 T CA 1.490 63.727 62.100 0.229 0.000 1.142 294 T CB -0.463 68.578 68.868 0.288 0.000 0.866 294 T HN 0.468 nan 8.240 nan 0.000 0.444 295 C N 0.601 120.135 119.300 0.391 0.000 2.446 295 C HA -0.062 4.397 4.460 -0.001 0.000 0.277 295 C C 2.398 177.535 174.990 0.246 0.000 1.275 295 C CA 0.412 59.651 59.018 0.368 0.000 1.727 295 C CB -1.389 26.441 27.740 0.149 0.000 2.010 295 C HN 0.655 nan 8.230 nan 0.000 0.486 296 Y N 1.047 121.401 120.300 0.091 0.000 2.200 296 Y HA -0.080 4.469 4.550 -0.001 0.000 0.290 296 Y C 2.141 178.054 175.900 0.022 0.000 1.137 296 Y CA 2.030 60.161 58.100 0.052 0.000 1.163 296 Y CB -0.568 37.906 38.460 0.023 0.000 0.988 296 Y HN 0.334 nan 8.280 nan 0.000 0.518 297 L N 1.093 122.403 121.223 0.144 0.000 1.994 297 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 297 L C 2.117 178.902 176.870 -0.141 0.000 1.071 297 L CA 2.043 56.853 54.840 -0.050 0.000 0.745 297 L CB -0.931 41.070 42.059 -0.096 0.000 0.892 297 L HN 0.135 nan 8.230 nan 0.000 0.431 298 K N -0.337 120.042 120.400 -0.035 0.000 2.026 298 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 298 K C 2.101 178.709 176.600 0.014 0.000 1.048 298 K CA 1.440 57.714 56.287 -0.022 0.000 0.929 298 K CB -0.479 32.093 32.500 0.120 0.000 0.713 298 K HN 0.513 nan 8.250 nan 0.000 0.439 299 A N 1.107 123.928 122.820 0.001 0.000 1.902 299 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 299 A C 2.247 179.844 177.584 0.022 0.000 1.181 299 A CA 1.830 53.891 52.037 0.040 0.000 0.623 299 A CB -0.571 18.520 19.000 0.151 0.000 0.818 299 A HN 0.175 nan 8.150 nan 0.000 0.443 300 S N -0.069 115.525 115.700 -0.177 0.000 2.359 300 S HA -0.089 4.380 4.470 -0.001 0.000 0.224 300 S C 2.326 176.872 174.600 -0.090 0.000 1.035 300 S CA 1.337 59.402 58.200 -0.225 0.000 1.018 300 S CB -0.512 62.409 63.200 -0.466 0.000 0.876 300 S HN 0.806 nan 8.310 nan 0.000 0.448 301 A N 1.476 124.259 122.820 -0.062 0.000 1.902 301 A HA 0.131 4.451 4.320 -0.001 0.000 0.217 301 A C 2.350 180.002 177.584 0.113 0.000 1.181 301 A CA 1.681 53.749 52.037 0.051 0.000 0.623 301 A CB -1.064 17.976 19.000 0.065 0.000 0.818 301 A HN 0.518 nan 8.150 nan 0.000 0.443 302 A N -0.860 122.025 122.820 0.108 0.000 1.972 302 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 302 A C 2.397 179.990 177.584 0.015 0.000 1.169 302 A CA 1.727 53.678 52.037 -0.145 0.000 0.635 302 A CB -1.450 17.058 19.000 -0.820 0.000 0.810 302 A HN 1.016 nan 8.150 nan 0.000 0.446 303 c N 0.072 118.799 118.600 0.212 0.000 2.429 303 c HA -0.085 4.484 4.570 -0.001 0.000 0.277 303 c C 2.799 176.916 174.090 0.044 0.000 1.262 303 c CA 1.356 57.848 56.329 0.272 0.000 1.733 303 c CB -1.281 41.336 42.510 0.179 0.000 2.010 303 c HN 0.633 nan 8.230 nan 0.000 0.483 304 R N 0.997 121.424 120.500 -0.122 0.000 2.066 304 R HA -0.002 4.337 4.340 -0.001 0.000 0.232 304 R C 2.650 178.703 176.300 -0.412 0.000 1.131 304 R CA 1.545 57.425 56.100 -0.366 0.000 0.955 304 R CB -0.728 29.145 30.300 -0.712 0.000 0.851 304 R HN 0.605 nan 8.270 nan 0.000 0.432 305 A N 1.580 124.212 122.820 -0.314 0.000 1.908 305 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 305 A C 2.268 179.852 177.584 -0.001 0.000 1.181 305 A CA 1.848 53.859 52.037 -0.043 0.000 0.627 305 A CB -0.562 18.454 19.000 0.027 0.000 0.818 305 A HN 0.407 nan 8.150 nan 0.000 0.445 306 A N -1.580 121.254 122.820 0.024 0.000 2.238 306 A HA 0.275 4.594 4.320 -0.001 0.000 0.208 306 A C 0.992 178.606 177.584 0.050 0.000 1.177 306 A CA 0.888 52.966 52.037 0.068 0.000 0.804 306 A CB -0.444 18.663 19.000 0.179 0.000 0.823 306 A HN 0.526 nan 8.150 nan 0.000 0.482 307 K N -1.746 118.667 120.400 0.021 0.000 3.117 307 K HA -0.157 4.163 4.320 -0.001 0.000 0.269 307 K C -0.896 175.716 176.600 0.021 0.000 1.098 307 K CA 0.247 56.542 56.287 0.014 0.000 0.785 307 K CB -1.950 30.562 32.500 0.021 0.000 1.242 307 K HN 0.339 nan 8.250 nan 0.000 0.491 308 L N 1.712 122.957 121.223 0.037 0.000 2.453 308 L HA 0.037 4.376 4.340 -0.001 0.000 0.272 308 L C 1.021 177.897 176.870 0.010 0.000 1.182 308 L CA 0.790 55.650 54.840 0.033 0.000 0.858 308 L CB 0.637 42.731 42.059 0.059 0.000 1.120 308 L HN 0.120 nan 8.230 nan 0.000 0.474 309 Q N 2.520 122.319 119.800 -0.001 0.000 2.295 309 Q HA 0.014 4.353 4.340 -0.001 0.000 0.259 309 Q C -0.087 175.897 176.000 -0.026 0.000 0.976 309 Q CA -0.141 55.654 55.803 -0.014 0.000 0.923 309 Q CB 0.509 29.236 28.738 -0.018 0.000 1.185 309 Q HN 0.553 nan 8.270 nan 0.000 0.410 310 D N 1.487 121.873 120.400 -0.024 0.000 2.704 310 D HA -0.198 4.441 4.640 -0.001 0.000 0.232 310 D C -0.494 175.782 176.300 -0.040 0.000 1.183 310 D CA 0.379 54.361 54.000 -0.030 0.000 0.647 310 D CB -1.012 39.763 40.800 -0.041 0.000 1.013 310 D HN 0.611 nan 8.370 nan 0.000 0.415 311 c N 0.269 118.852 118.600 -0.029 0.000 2.651 311 c HA 0.630 5.199 4.570 -0.001 0.000 0.410 311 c C 0.777 174.847 174.090 -0.034 0.000 1.372 311 c CA -0.673 55.630 56.329 -0.042 0.000 1.707 311 c CB 0.197 42.693 42.510 -0.022 0.000 2.501 311 c HN 0.442 nan 8.230 nan 0.000 0.598 312 T N 6.202 120.726 114.554 -0.049 0.000 2.823 312 T HA 0.619 4.968 4.350 -0.001 0.000 0.279 312 T C -0.129 174.576 174.700 0.008 0.000 0.998 312 T CA -0.209 61.895 62.100 0.007 0.000 0.994 312 T CB 1.203 70.062 68.868 -0.014 0.000 0.960 312 T HN 0.780 nan 8.240 nan 0.000 0.448 313 M N 2.726 122.384 119.600 0.097 0.000 2.662 313 M HA 0.637 5.116 4.480 -0.001 0.000 0.310 313 M C -1.456 174.966 176.300 0.205 0.000 1.204 313 M CA -1.101 54.251 55.300 0.087 0.000 0.891 313 M CB 2.209 34.836 32.600 0.045 0.000 1.732 313 M HN 0.303 nan 8.290 nan 0.000 0.467 314 L N 2.523 123.826 121.223 0.134 0.000 2.406 314 L HA 0.689 5.029 4.340 -0.001 0.000 0.270 314 L C -1.610 175.275 176.870 0.025 0.000 0.982 314 L CA -0.473 54.444 54.840 0.129 0.000 0.843 314 L CB 1.715 43.873 42.059 0.166 0.000 1.225 314 L HN 0.480 nan 8.230 nan 0.000 0.412 315 V N 4.330 124.240 119.914 -0.006 0.000 2.540 315 V HA 0.598 4.718 4.120 -0.001 0.000 0.302 315 V C -0.737 175.195 176.094 -0.270 0.000 1.035 315 V CA -0.636 61.633 62.300 -0.051 0.000 0.873 315 V CB 2.013 33.900 31.823 0.107 0.000 0.992 315 V HN 0.788 nan 8.190 nan 0.000 0.428 316 N N 3.407 121.885 118.700 -0.369 0.000 2.609 316 N HA 0.617 5.357 4.740 -0.001 0.000 0.268 316 N C 0.512 175.854 175.510 -0.281 0.000 1.106 316 N CA 0.538 53.112 53.050 -0.792 0.000 0.823 316 N CB 1.768 39.669 38.487 -0.977 0.000 1.263 316 N HN 1.086 nan 8.380 nan 0.000 0.533 317 G N 2.363 111.161 108.800 -0.003 0.000 2.622 317 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.307 317 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.307 317 G C 0.543 175.302 174.900 -0.235 0.000 1.226 317 G CA 0.763 45.880 45.100 0.028 0.000 0.997 317 G HN 0.632 nan 8.290 nan 0.000 0.551 318 D N 1.206 121.386 120.400 -0.367 0.000 2.349 318 D HA 0.068 4.707 4.640 -0.001 0.000 0.224 318 D C 0.421 176.580 176.300 -0.234 0.000 1.029 318 D CA 0.791 54.377 54.000 -0.690 0.000 0.879 318 D CB -0.178 40.189 40.800 -0.723 0.000 0.906 318 D HN 0.419 nan 8.370 nan 0.000 0.528 319 D N 0.666 120.991 120.400 -0.124 0.000 2.312 319 D HA 0.273 4.912 4.640 -0.001 0.000 0.252 319 D C -0.883 175.402 176.300 -0.024 0.000 1.150 319 D CA -0.432 53.544 54.000 -0.041 0.000 0.870 319 D CB 1.099 41.869 40.800 -0.050 0.000 1.153 319 D HN 0.069 nan 8.370 nan 0.000 0.457 320 L N 4.845 126.103 121.223 0.057 0.000 2.408 320 L HA 0.557 4.897 4.340 -0.001 0.000 0.268 320 L C -1.802 175.093 176.870 0.040 0.000 0.986 320 L CA -0.695 54.191 54.840 0.078 0.000 0.820 320 L CB 1.990 44.166 42.059 0.195 0.000 1.303 320 L HN 0.137 nan 8.230 nan 0.000 0.411 321 V N 5.664 125.551 119.914 -0.046 0.000 2.760 321 V HA 0.772 4.891 4.120 -0.001 0.000 0.309 321 V C -1.482 174.444 176.094 -0.279 0.000 1.077 321 V CA -0.350 61.857 62.300 -0.155 0.000 0.910 321 V CB 2.425 34.191 31.823 -0.094 0.000 1.008 321 V HN 0.613 nan 8.190 nan 0.000 0.424 322 V N 7.635 127.169 119.914 -0.632 0.000 2.540 322 V HA 0.598 4.717 4.120 -0.001 0.000 0.302 322 V C -0.377 175.395 176.094 -0.537 0.000 1.035 322 V CA -0.465 61.418 62.300 -0.696 0.000 0.873 322 V CB 1.848 32.947 31.823 -1.206 0.000 0.992 322 V HN 0.732 nan 8.190 nan 0.000 0.428 323 I N 5.053 125.465 120.570 -0.264 0.000 2.418 323 I HA 0.616 4.785 4.170 -0.001 0.000 0.287 323 I C 0.029 176.054 176.117 -0.154 0.000 1.008 323 I CA -0.305 60.908 61.300 -0.145 0.000 1.104 323 I CB 1.551 39.523 38.000 -0.046 0.000 1.264 323 I HN 0.869 nan 8.210 nan 0.000 0.438 324 C N 2.371 121.582 119.300 -0.149 0.000 3.301 324 C HA 0.706 5.165 4.460 -0.001 0.000 0.367 324 C C -0.192 174.707 174.990 -0.152 0.000 1.980 324 C CA -0.831 58.115 59.018 -0.121 0.000 1.349 324 C CB 1.370 29.077 27.740 -0.055 0.000 2.412 324 C HN 0.695 nan 8.230 nan 0.000 0.451 325 E N 1.318 121.456 120.200 -0.104 0.000 2.167 325 E HA 0.476 4.826 4.350 -0.001 0.000 0.284 325 E C 0.085 176.650 176.600 -0.058 0.000 1.016 325 E CA 0.395 56.734 56.400 -0.102 0.000 0.817 325 E CB 1.158 30.814 29.700 -0.075 0.000 1.080 325 E HN 0.807 nan 8.360 nan 0.000 0.397 326 S N 2.954 118.624 115.700 -0.049 0.000 2.593 326 S HA 0.495 4.965 4.470 -0.001 0.000 0.269 326 S C 0.208 174.818 174.600 0.017 0.000 1.334 326 S CA 0.229 58.444 58.200 0.026 0.000 1.015 326 S CB 0.771 64.040 63.200 0.114 0.000 0.912 326 S HN 0.592 nan 8.310 nan 0.000 0.541 327 A N 2.069 124.910 122.820 0.036 0.000 2.605 327 A HA 0.664 4.983 4.320 -0.001 0.000 0.292 327 A C 0.647 178.241 177.584 0.016 0.000 1.055 327 A CA 0.212 52.258 52.037 0.015 0.000 0.969 327 A CB -0.541 18.466 19.000 0.012 0.000 1.236 327 A HN 1.962 nan 8.150 nan 0.000 0.534 328 G N -1.436 107.378 108.800 0.025 0.000 2.674 328 G HA2 0.093 4.052 3.960 -0.001 0.000 0.686 328 G HA3 0.093 4.052 3.960 -0.001 0.000 0.686 328 G C 0.482 175.402 174.900 0.034 0.000 1.195 328 G CA 0.229 45.327 45.100 -0.004 0.000 0.776 328 G HN 0.806 nan 8.290 nan 0.000 0.654 329 T N -0.264 114.281 114.554 -0.015 0.000 2.759 329 T HA -0.155 4.194 4.350 -0.001 0.000 0.269 329 T C 2.308 177.048 174.700 0.067 0.000 1.042 329 T CA 2.630 64.764 62.100 0.058 0.000 1.140 329 T CB -0.213 68.629 68.868 -0.043 0.000 0.864 329 T HN 0.501 nan 8.240 nan 0.000 0.455 330 Q N 0.428 120.242 119.800 0.024 0.000 2.046 330 Q HA -0.067 4.272 4.340 -0.001 0.000 0.200 330 Q C 2.308 178.320 176.000 0.020 0.000 0.975 330 Q CA 1.679 57.493 55.803 0.018 0.000 0.836 330 Q CB -0.586 28.155 28.738 0.005 0.000 0.896 330 Q HN 0.569 nan 8.270 nan 0.000 0.428 331 E N 1.112 121.325 120.200 0.021 0.000 2.153 331 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 331 E C 1.271 177.883 176.600 0.021 0.000 0.988 331 E CA 1.177 57.588 56.400 0.017 0.000 0.811 331 E CB -0.043 29.666 29.700 0.015 0.000 0.746 331 E HN 0.219 nan 8.360 nan 0.000 0.466 332 D N -0.154 120.272 120.400 0.044 0.000 2.097 332 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 332 D C 1.771 178.065 176.300 -0.010 0.000 0.984 332 D CA 1.596 55.617 54.000 0.037 0.000 0.826 332 D CB -0.484 40.390 40.800 0.123 0.000 0.973 332 D HN 0.314 nan 8.370 nan 0.000 0.460 333 A N 1.082 123.908 122.820 0.010 0.000 1.933 333 A HA -0.060 4.259 4.320 -0.001 0.000 0.218 333 A C 2.299 179.868 177.584 -0.024 0.000 1.175 333 A CA 2.229 54.258 52.037 -0.013 0.000 0.628 333 A CB -0.640 18.365 19.000 0.009 0.000 0.814 333 A HN 0.240 nan 8.150 nan 0.000 0.444 334 A N -0.435 122.379 122.820 -0.010 0.000 1.873 334 A HA -0.046 4.274 4.320 -0.001 0.000 0.215 334 A C 2.461 180.040 177.584 -0.009 0.000 1.186 334 A CA 2.033 54.066 52.037 -0.007 0.000 0.616 334 A CB -0.956 18.044 19.000 0.001 0.000 0.823 334 A HN 0.468 nan 8.150 nan 0.000 0.442 335 S N -0.143 115.550 115.700 -0.011 0.000 2.353 335 S HA -0.199 4.271 4.470 -0.001 0.000 0.222 335 S C 1.940 176.535 174.600 -0.009 0.000 1.035 335 S CA 1.499 59.697 58.200 -0.002 0.000 1.025 335 S CB -0.720 62.476 63.200 -0.006 0.000 0.902 335 S HN 0.572 nan 8.310 nan 0.000 0.440 336 L N 1.521 122.676 121.223 -0.112 0.000 2.129 336 L HA -0.173 4.167 4.340 -0.001 0.000 0.212 336 L C 2.533 179.384 176.870 -0.031 0.000 1.087 336 L CA 1.594 56.301 54.840 -0.222 0.000 0.757 336 L CB -0.184 41.626 42.059 -0.415 0.000 0.896 336 L HN 0.210 nan 8.230 nan 0.000 0.434 337 R N -0.853 119.636 120.500 -0.018 0.000 2.092 337 R HA -0.113 4.226 4.340 -0.001 0.000 0.231 337 R C 2.024 178.340 176.300 0.027 0.000 1.119 337 R CA 1.675 57.782 56.100 0.011 0.000 0.970 337 R CB -0.128 30.170 30.300 -0.004 0.000 0.864 337 R HN 0.357 nan 8.270 nan 0.000 0.440 338 V N 0.612 120.543 119.914 0.029 0.000 2.453 338 V HA -0.186 3.934 4.120 -0.001 0.000 0.247 338 V C 1.915 178.020 176.094 0.018 0.000 1.048 338 V CA 1.571 63.879 62.300 0.014 0.000 1.049 338 V CB -0.618 31.215 31.823 0.017 0.000 0.672 338 V HN 0.311 nan 8.190 nan 0.000 0.457 339 F N 1.606 121.508 119.950 -0.080 0.000 2.126 339 F HA -0.243 4.283 4.527 -0.001 0.000 0.299 339 F C 2.395 178.136 175.800 -0.099 0.000 1.096 339 F CA 2.343 60.291 58.000 -0.087 0.000 1.255 339 F CB -0.458 38.489 39.000 -0.089 0.000 0.997 339 F HN 0.112 nan 8.300 nan 0.000 0.479 340 T N 0.099 114.737 114.554 0.141 0.000 2.821 340 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 340 T C 1.687 176.373 174.700 -0.023 0.000 1.046 340 T CA 1.673 63.860 62.100 0.145 0.000 1.139 340 T CB -0.313 68.704 68.868 0.248 0.000 0.871 340 T HN 0.411 nan 8.240 nan 0.000 0.454 341 E N 1.168 121.332 120.200 -0.059 0.000 2.110 341 E HA -0.057 4.292 4.350 -0.001 0.000 0.193 341 E C 2.561 179.029 176.600 -0.220 0.000 0.988 341 E CA 0.973 57.311 56.400 -0.103 0.000 0.804 341 E CB -0.203 29.449 29.700 -0.079 0.000 0.745 341 E HN 0.483 nan 8.360 nan 0.000 0.458 342 A N 1.450 124.076 122.820 -0.324 0.000 1.873 342 A HA -0.171 4.148 4.320 -0.001 0.000 0.215 342 A C 2.183 179.315 177.584 -0.754 0.000 1.186 342 A CA 1.199 52.887 52.037 -0.582 0.000 0.616 342 A CB -0.315 18.361 19.000 -0.540 0.000 0.823 342 A HN 0.099 nan 8.150 nan 0.000 0.442 343 M N -0.127 119.148 119.600 -0.542 0.000 2.149 343 M HA -0.125 4.354 4.480 -0.001 0.000 0.261 343 M C 2.159 178.378 176.300 -0.134 0.000 1.064 343 M CA 2.031 57.143 55.300 -0.314 0.000 1.102 343 M CB -1.950 30.397 32.600 -0.421 0.000 1.369 343 M HN 0.454 nan 8.290 nan 0.000 0.408 344 T N 0.024 114.500 114.554 -0.131 0.000 2.777 344 T HA -0.099 4.251 4.350 -0.001 0.000 0.266 344 T C 1.948 176.587 174.700 -0.101 0.000 1.040 344 T CA 1.069 63.130 62.100 -0.065 0.000 1.141 344 T CB -0.171 68.667 68.868 -0.050 0.000 0.868 344 T HN 0.386 nan 8.240 nan 0.000 0.444 345 R N 0.009 120.384 120.500 -0.207 0.000 2.152 345 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 345 R C 1.501 177.751 176.300 -0.083 0.000 1.117 345 R CA 1.016 57.001 56.100 -0.191 0.000 0.981 345 R CB -0.225 29.898 30.300 -0.294 0.000 0.870 345 R HN 0.437 nan 8.270 nan 0.000 0.451 346 Y N -0.105 120.132 120.300 -0.105 0.000 2.490 346 Y HA 0.117 4.666 4.550 -0.001 0.000 0.281 346 Y C 0.885 176.727 175.900 -0.096 0.000 1.174 346 Y CA -0.503 57.524 58.100 -0.122 0.000 1.295 346 Y CB -0.058 38.353 38.460 -0.081 0.000 1.062 346 Y HN -0.059 nan 8.280 nan 0.000 0.522 347 S N -0.071 115.666 115.700 0.061 0.000 3.929 347 S HA -0.124 4.345 4.470 -0.001 0.000 0.351 347 S C 0.045 174.649 174.600 0.008 0.000 1.021 347 S CA 0.491 58.705 58.200 0.023 0.000 1.049 347 S CB -1.410 61.796 63.200 0.009 0.000 0.872 347 S HN 0.670 nan 8.310 nan 0.000 0.479 348 A N 1.725 124.573 122.820 0.045 0.000 3.234 348 A HA 0.553 4.873 4.320 -0.001 0.000 0.247 348 A C -2.144 175.562 177.584 0.202 0.000 0.938 348 A CA -0.641 51.453 52.037 0.095 0.000 1.039 348 A CB 0.777 19.862 19.000 0.143 0.000 1.197 348 A HN 0.485 nan 8.150 nan 0.000 0.498 349 P HA 0.201 nan 4.420 nan 0.000 0.269 349 P C -2.866 174.506 177.300 0.121 0.000 1.209 349 P CA -0.652 62.505 63.100 0.094 0.000 0.776 349 P CB 0.611 32.289 31.700 -0.036 0.000 0.876 350 P HA 0.106 nan 4.420 nan 0.000 0.277 350 P C 0.604 177.843 177.300 -0.102 0.000 1.240 350 P CA 0.022 63.033 63.100 -0.148 0.000 0.798 350 P CB 1.026 32.589 31.700 -0.228 0.000 0.979 351 G N 1.769 110.498 108.800 -0.118 0.000 2.695 351 G HA2 0.023 3.982 3.960 -0.001 0.000 0.219 351 G HA3 0.023 3.982 3.960 -0.001 0.000 0.219 351 G C -0.070 174.786 174.900 -0.074 0.000 1.295 351 G CA 0.128 45.190 45.100 -0.062 0.000 0.882 351 G HN 0.464 nan 8.290 nan 0.000 0.570 352 D N 2.040 122.389 120.400 -0.085 0.000 2.277 352 D HA 0.347 4.986 4.640 -0.001 0.000 0.249 352 D C -2.336 173.904 176.300 -0.099 0.000 1.134 352 D CA -0.980 52.978 54.000 -0.070 0.000 0.863 352 D CB 1.567 42.337 40.800 -0.049 0.000 1.143 352 D HN -0.011 nan 8.370 nan 0.000 0.458 353 P HA 0.078 nan 4.420 nan 0.000 0.266 353 P C -2.287 174.983 177.300 -0.051 0.000 1.195 353 P CA -0.761 62.304 63.100 -0.057 0.000 0.768 353 P CB -0.090 31.593 31.700 -0.029 0.000 0.838 354 P HA 0.100 nan 4.420 nan 0.000 0.275 354 P C -1.126 176.144 177.300 -0.050 0.000 1.227 354 P CA -0.161 62.935 63.100 -0.005 0.000 0.781 354 P CB 0.782 32.521 31.700 0.065 0.000 0.906 355 Q N 3.055 122.846 119.800 -0.015 0.000 2.375 355 Q HA 0.635 4.974 4.340 -0.001 0.000 0.271 355 Q C -2.766 173.222 176.000 -0.019 0.000 1.074 355 Q CA -2.406 53.381 55.803 -0.026 0.000 0.808 355 Q CB 2.201 30.942 28.738 0.004 0.000 1.327 355 Q HN 0.267 nan 8.270 nan 0.000 0.441 356 P HA 0.164 nan 4.420 nan 0.000 0.275 356 P C -0.908 176.275 177.300 -0.196 0.000 1.227 356 P CA -0.016 63.012 63.100 -0.120 0.000 0.781 356 P CB 1.126 32.743 31.700 -0.138 0.000 0.906 357 E N 1.940 121.981 120.200 -0.265 0.000 2.238 357 E HA 0.234 4.583 4.350 -0.001 0.000 0.267 357 E C -0.533 175.856 176.600 -0.353 0.000 0.887 357 E CA -0.493 55.785 56.400 -0.204 0.000 0.769 357 E CB 1.478 31.157 29.700 -0.034 0.000 1.187 357 E HN 0.440 nan 8.360 nan 0.000 0.416 358 Y N -0.332 120.109 120.300 0.235 0.000 2.500 358 Y HA 0.169 4.719 4.550 -0.001 0.000 0.246 358 Y C 0.276 176.413 175.900 0.396 0.000 1.146 358 Y CA -0.351 57.943 58.100 0.324 0.000 1.230 358 Y CB 1.042 39.602 38.460 0.166 0.000 1.214 358 Y HN 0.241 nan 8.280 nan 0.000 0.526 359 D N 0.595 121.136 120.400 0.235 0.000 2.471 359 D HA 0.109 4.748 4.640 -0.001 0.000 0.245 359 D C 0.814 176.888 176.300 -0.377 0.000 1.116 359 D CA -0.267 53.736 54.000 0.005 0.000 0.853 359 D CB 1.656 42.469 40.800 0.023 0.000 1.123 359 D HN 0.132 nan 8.370 nan 0.000 0.540 360 L N 4.423 125.069 121.223 -0.962 0.000 2.081 360 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 360 L C 1.596 178.130 176.870 -0.560 0.000 1.080 360 L CA 1.988 56.102 54.840 -1.210 0.000 0.754 360 L CB -0.270 40.833 42.059 -1.593 0.000 0.893 360 L HN 0.492 nan 8.230 nan 0.000 0.433 361 E N -0.741 119.238 120.200 -0.368 0.000 2.333 361 E HA -0.153 4.196 4.350 -0.001 0.000 0.198 361 E C 1.853 178.361 176.600 -0.154 0.000 1.007 361 E CA 0.851 57.124 56.400 -0.211 0.000 0.845 361 E CB -0.159 29.467 29.700 -0.123 0.000 0.766 361 E HN 0.556 nan 8.360 nan 0.000 0.507 362 L N 0.886 122.018 121.223 -0.152 0.000 2.592 362 L HA 0.209 4.548 4.340 -0.001 0.000 0.227 362 L C 0.528 177.345 176.870 -0.088 0.000 1.127 362 L CA -0.072 54.715 54.840 -0.088 0.000 0.884 362 L CB 0.185 42.217 42.059 -0.045 0.000 1.065 362 L HN 0.024 nan 8.230 nan 0.000 0.457 363 I N 0.128 120.617 120.570 -0.136 0.000 2.321 363 I HA 0.152 4.322 4.170 -0.001 0.000 0.291 363 I C -0.060 176.008 176.117 -0.082 0.000 0.998 363 I CA 0.028 61.267 61.300 -0.102 0.000 1.227 363 I CB 1.624 39.540 38.000 -0.139 0.000 1.368 363 I HN -0.101 nan 8.210 nan 0.000 0.466 364 T N 4.965 119.494 114.554 -0.042 0.000 2.749 364 T HA 0.430 4.779 4.350 -0.001 0.000 0.287 364 T C -0.195 174.500 174.700 -0.008 0.000 0.970 364 T CA -0.586 61.499 62.100 -0.024 0.000 0.980 364 T CB 0.869 69.730 68.868 -0.013 0.000 0.924 364 T HN 0.715 nan 8.240 nan 0.000 0.456 365 S N 0.971 116.668 115.700 -0.004 0.000 2.547 365 S HA 0.443 4.912 4.470 -0.001 0.000 0.281 365 S C 0.133 174.747 174.600 0.024 0.000 1.118 365 S CA -0.794 57.407 58.200 0.002 0.000 0.947 365 S CB 0.747 63.933 63.200 -0.022 0.000 1.053 365 S HN 0.873 nan 8.310 nan 0.000 0.482 366 C N 2.194 121.512 119.300 0.030 0.000 4.350 366 C HA -0.174 4.285 4.460 -0.001 0.000 0.302 366 C C 1.362 176.421 174.990 0.116 0.000 1.390 366 C CA 0.756 59.815 59.018 0.068 0.000 2.016 366 C CB -3.198 24.579 27.740 0.063 0.000 1.271 366 C HN 1.644 nan 8.230 nan 0.000 0.760 367 S N -1.315 114.435 115.700 0.084 0.000 3.319 367 S HA -0.210 4.259 4.470 -0.001 0.000 0.319 367 S C 0.359 175.007 174.600 0.080 0.000 1.236 367 S CA 1.333 59.578 58.200 0.076 0.000 0.964 367 S CB -0.750 62.508 63.200 0.096 0.000 1.040 367 S HN 1.030 nan 8.310 nan 0.000 0.620 368 S N 1.490 117.248 115.700 0.096 0.000 2.704 368 S HA 0.813 5.282 4.470 -0.001 0.000 0.296 368 S C -0.412 174.213 174.600 0.041 0.000 1.138 368 S CA -0.886 57.385 58.200 0.118 0.000 0.875 368 S CB 1.880 65.231 63.200 0.251 0.000 1.151 368 S HN 0.607 nan 8.310 nan 0.000 0.500 369 N N -0.988 117.724 118.700 0.020 0.000 2.591 369 N HA 0.362 5.101 4.740 -0.001 0.000 0.263 369 N C -1.744 173.702 175.510 -0.106 0.000 1.308 369 N CA -0.569 52.447 53.050 -0.058 0.000 0.837 369 N CB 1.049 39.490 38.487 -0.075 0.000 1.548 369 N HN 0.345 nan 8.380 nan 0.000 0.493 370 V N 0.514 120.330 119.914 -0.163 0.000 2.583 370 V HA 0.470 4.590 4.120 -0.001 0.000 0.287 370 V C 0.476 176.440 176.094 -0.217 0.000 1.051 370 V CA 0.017 62.194 62.300 -0.206 0.000 1.010 370 V CB 0.961 32.642 31.823 -0.236 0.000 0.988 370 V HN 0.835 nan 8.190 nan 0.000 0.478 371 S N 2.589 118.093 115.700 -0.325 0.000 2.685 371 S HA 0.800 5.269 4.470 -0.001 0.000 0.282 371 S C -1.322 173.207 174.600 -0.119 0.000 1.159 371 S CA -0.451 57.603 58.200 -0.245 0.000 0.833 371 S CB 2.071 65.083 63.200 -0.314 0.000 1.151 371 S HN 0.690 nan 8.310 nan 0.000 0.485 372 V N 1.079 121.015 119.914 0.036 0.000 2.876 372 V HA 0.993 5.112 4.120 -0.001 0.000 0.312 372 V C -0.300 175.773 176.094 -0.034 0.000 1.085 372 V CA 0.268 62.536 62.300 -0.053 0.000 0.945 372 V CB 1.269 32.895 31.823 -0.328 0.000 1.017 372 V HN 1.292 nan 8.190 nan 0.000 0.428 373 A N 4.587 127.241 122.820 -0.277 0.000 2.566 373 A HA 0.897 5.217 4.320 -0.001 0.000 0.291 373 A C -1.324 175.746 177.584 -0.856 0.000 1.278 373 A CA -0.591 51.100 52.037 -0.577 0.000 0.711 373 A CB 1.723 20.254 19.000 -0.780 0.000 1.332 373 A HN 0.935 nan 8.150 nan 0.000 0.478 374 H N 0.445 119.163 119.070 -0.587 0.000 2.600 374 H HA 0.399 4.954 4.556 -0.001 0.000 0.357 374 H C -1.102 173.887 175.328 -0.565 0.000 1.106 374 H CA -0.339 55.384 56.048 -0.542 0.000 1.193 374 H CB 1.787 31.203 29.762 -0.576 0.000 1.594 374 H HN 0.902 nan 8.280 nan 0.000 0.526 375 D N 0.761 121.069 120.400 -0.153 0.000 2.440 375 D HA 0.199 4.838 4.640 -0.001 0.000 0.269 375 D C 1.303 177.686 176.300 0.139 0.000 1.249 375 D CA -0.524 53.451 54.000 -0.042 0.000 1.055 375 D CB 0.330 41.114 40.800 -0.028 0.000 1.104 375 D HN 0.422 nan 8.370 nan 0.000 0.561 376 A N -0.766 122.133 122.820 0.131 0.000 2.178 376 A HA -0.067 4.252 4.320 -0.001 0.000 0.218 376 A C 1.832 179.475 177.584 0.098 0.000 1.157 376 A CA 1.211 53.326 52.037 0.130 0.000 0.689 376 A CB -0.744 18.298 19.000 0.071 0.000 0.787 376 A HN 0.401 nan 8.150 nan 0.000 0.465 377 S N -2.226 113.522 115.700 0.081 0.000 2.517 377 S HA 0.379 4.849 4.470 -0.001 0.000 0.214 377 S C 1.458 176.090 174.600 0.052 0.000 0.991 377 S CA 0.708 58.938 58.200 0.051 0.000 0.906 377 S CB 0.404 63.623 63.200 0.032 0.000 0.789 377 S HN 1.531 nan 8.310 nan 0.000 0.513 378 G N 2.059 110.910 108.800 0.085 0.000 2.176 378 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.232 378 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.232 378 G C 0.071 175.011 174.900 0.067 0.000 0.986 378 G CA 0.127 45.249 45.100 0.036 0.000 0.643 378 G HN 0.503 nan 8.290 nan 0.000 0.522 379 K N 1.045 121.488 120.400 0.072 0.000 2.326 379 K HA 0.448 4.767 4.320 -0.001 0.000 0.275 379 K C 0.718 177.348 176.600 0.050 0.000 1.018 379 K CA -0.608 55.715 56.287 0.061 0.000 0.962 379 K CB 0.297 32.803 32.500 0.011 0.000 0.953 379 K HN 0.299 nan 8.250 nan 0.000 0.475 380 R N 1.936 122.424 120.500 -0.019 0.000 2.442 380 R HA 0.148 4.487 4.340 -0.001 0.000 0.291 380 R C -0.587 175.505 176.300 -0.347 0.000 1.069 380 R CA -0.302 55.615 56.100 -0.305 0.000 1.022 380 R CB 1.156 31.274 30.300 -0.304 0.000 0.976 380 R HN 0.381 nan 8.270 nan 0.000 0.443 381 V N 4.888 124.537 119.914 -0.441 0.000 2.638 381 V HA 0.398 4.517 4.120 -0.001 0.000 0.306 381 V C -1.479 174.442 176.094 -0.287 0.000 1.052 381 V CA -0.759 61.363 62.300 -0.296 0.000 0.885 381 V CB 1.384 33.099 31.823 -0.178 0.000 0.999 381 V HN 0.604 nan 8.190 nan 0.000 0.424 382 Y N 7.060 127.370 120.300 0.018 0.000 2.320 382 Y HA 0.755 5.304 4.550 -0.001 0.000 0.324 382 Y C -0.001 175.984 175.900 0.142 0.000 1.190 382 Y CA -0.007 58.115 58.100 0.037 0.000 1.215 382 Y CB 1.529 39.959 38.460 -0.050 0.000 1.221 382 Y HN 0.818 nan 8.280 nan 0.000 0.486 383 Y N 0.030 120.400 120.300 0.117 0.000 2.656 383 Y HA 0.625 5.174 4.550 -0.001 0.000 0.334 383 Y C -2.271 173.690 175.900 0.101 0.000 1.179 383 Y CA -1.991 56.155 58.100 0.076 0.000 1.050 383 Y CB 0.511 38.988 38.460 0.028 0.000 1.308 383 Y HN 0.461 nan 8.280 nan 0.000 0.456 384 L N 2.211 123.469 121.223 0.058 0.000 2.292 384 L HA 0.756 5.096 4.340 -0.001 0.000 0.284 384 L C 0.096 177.119 176.870 0.256 0.000 1.065 384 L CA 0.536 55.409 54.840 0.055 0.000 0.806 384 L CB 1.305 43.435 42.059 0.118 0.000 1.175 384 L HN 1.040 nan 8.230 nan 0.000 0.431 385 T N 4.351 119.027 114.554 0.203 0.000 2.696 385 T HA 0.877 5.227 4.350 -0.001 0.000 0.291 385 T C -1.229 173.598 174.700 0.211 0.000 1.095 385 T CA -0.588 61.731 62.100 0.364 0.000 1.026 385 T CB 1.143 70.174 68.868 0.272 0.000 1.390 385 T HN 0.848 nan 8.240 nan 0.000 0.513 386 R N 0.468 121.019 120.500 0.086 0.000 2.741 386 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 386 R C -1.605 174.481 176.300 -0.356 0.000 1.028 386 R CA -1.000 55.010 56.100 -0.150 0.000 0.865 386 R CB 0.301 30.434 30.300 -0.279 0.000 1.268 386 R HN 0.531 nan 8.270 nan 0.000 0.475 387 D N 1.877 122.086 120.400 -0.318 0.000 2.458 387 D HA 0.052 4.691 4.640 -0.001 0.000 0.243 387 D C -1.392 174.512 176.300 -0.660 0.000 1.146 387 D CA -1.309 52.464 54.000 -0.377 0.000 0.877 387 D CB 1.280 41.949 40.800 -0.218 0.000 1.176 387 D HN 0.376 nan 8.370 nan 0.000 0.461 388 P HA 0.011 nan 4.420 nan 0.000 0.255 388 P C 1.104 178.089 177.300 -0.525 0.000 1.248 388 P CA 0.098 62.522 63.100 -1.126 0.000 0.807 388 P CB 0.332 31.239 31.700 -1.322 0.000 1.150 389 T N 0.057 114.415 114.554 -0.327 0.000 2.607 389 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 389 T C 1.780 176.425 174.700 -0.093 0.000 1.049 389 T CA 2.466 64.476 62.100 -0.150 0.000 1.162 389 T CB -1.142 67.681 68.868 -0.075 0.000 0.863 389 T HN 0.200 nan 8.240 nan 0.000 0.424 390 T N 2.085 116.585 114.554 -0.089 0.000 2.777 390 T HA -0.034 4.315 4.350 -0.001 0.000 0.266 390 T C -0.582 174.080 174.700 -0.064 0.000 1.040 390 T CA 1.058 63.133 62.100 -0.042 0.000 1.141 390 T CB -1.144 67.730 68.868 0.009 0.000 0.868 390 T HN 0.328 nan 8.240 nan 0.000 0.444 391 P HA 0.022 nan 4.420 nan 0.000 0.216 391 P C 1.443 178.783 177.300 0.067 0.000 1.150 391 P CA 0.893 63.992 63.100 -0.002 0.000 0.837 391 P CB -0.149 31.518 31.700 -0.056 0.000 0.786 392 L N -1.555 119.667 121.223 -0.001 0.000 2.131 392 L HA -0.062 4.277 4.340 -0.001 0.000 0.206 392 L C 2.429 179.350 176.870 0.084 0.000 1.087 392 L CA 1.199 56.071 54.840 0.053 0.000 0.767 392 L CB -1.077 40.976 42.059 -0.009 0.000 0.917 392 L HN -0.061 nan 8.230 nan 0.000 0.441 393 A N 0.440 123.295 122.820 0.058 0.000 1.902 393 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 393 A C 2.387 180.046 177.584 0.125 0.000 1.181 393 A CA 1.422 53.513 52.037 0.090 0.000 0.623 393 A CB -0.414 18.616 19.000 0.051 0.000 0.818 393 A HN 0.317 nan 8.150 nan 0.000 0.443 394 R N -0.615 119.930 120.500 0.076 0.000 2.092 394 R HA -0.002 4.338 4.340 -0.001 0.000 0.231 394 R C 2.425 178.880 176.300 0.259 0.000 1.119 394 R CA 1.043 57.205 56.100 0.103 0.000 0.970 394 R CB -0.408 29.894 30.300 0.002 0.000 0.864 394 R HN 0.504 nan 8.270 nan 0.000 0.440 395 A N 1.360 124.356 122.820 0.294 0.000 1.930 395 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 395 A C 2.364 180.197 177.584 0.415 0.000 1.175 395 A CA 1.504 53.831 52.037 0.484 0.000 0.627 395 A CB -0.498 18.834 19.000 0.553 0.000 0.815 395 A HN 0.372 nan 8.150 nan 0.000 0.443 396 A N -1.139 121.834 122.820 0.255 0.000 1.877 396 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 396 A C 2.107 179.804 177.584 0.188 0.000 1.186 396 A CA 1.434 53.573 52.037 0.169 0.000 0.620 396 A CB -0.895 18.185 19.000 0.134 0.000 0.822 396 A HN 0.823 nan 8.150 nan 0.000 0.443 397 W N 0.930 122.276 121.300 0.078 0.000 2.358 397 W HA -0.144 4.516 4.660 -0.001 0.000 0.303 397 W C 1.642 178.212 176.519 0.086 0.000 1.208 397 W CA 1.925 59.301 57.345 0.051 0.000 1.274 397 W CB -0.331 29.140 29.460 0.018 0.000 1.138 397 W HN 0.544 nan 8.180 nan 0.000 0.515 398 E N -0.875 119.591 120.200 0.443 0.000 2.418 398 E HA -0.122 4.228 4.350 -0.001 0.000 0.197 398 E C 1.899 178.692 176.600 0.322 0.000 1.026 398 E CA 1.287 57.929 56.400 0.403 0.000 0.862 398 E CB -0.046 29.946 29.700 0.487 0.000 0.799 398 E HN 0.070 nan 8.360 nan 0.000 0.518 399 T N -0.096 114.610 114.554 0.253 0.000 2.985 399 T HA -0.008 4.342 4.350 -0.001 0.000 0.266 399 T C 1.680 176.361 174.700 -0.032 0.000 1.076 399 T CA 1.092 63.266 62.100 0.123 0.000 1.135 399 T CB 0.159 69.112 68.868 0.141 0.000 0.890 399 T HN 0.211 nan 8.240 nan 0.000 0.480 400 A N 0.314 123.073 122.820 -0.102 0.000 2.288 400 A HA 0.351 4.671 4.320 -0.001 0.000 0.216 400 A C 0.878 178.320 177.584 -0.237 0.000 1.199 400 A CA -0.090 51.830 52.037 -0.196 0.000 0.891 400 A CB 0.525 19.365 19.000 -0.267 0.000 0.923 400 A HN 0.117 nan 8.150 nan 0.000 0.500 401 R N 0.135 120.521 120.500 -0.190 0.000 2.621 401 R HA 0.374 4.714 4.340 -0.001 0.000 0.284 401 R C -1.691 174.596 176.300 -0.023 0.000 0.998 401 R CA -0.494 55.531 56.100 -0.126 0.000 0.895 401 R CB 1.034 31.318 30.300 -0.028 0.000 1.195 401 R HN 0.491 nan 8.270 nan 0.000 0.450 402 H N 0.724 119.872 119.070 0.130 0.000 2.580 402 H HA 0.236 4.792 4.556 -0.001 0.000 0.322 402 H C 0.524 175.929 175.328 0.128 0.000 1.082 402 H CA 0.257 56.385 56.048 0.133 0.000 1.383 402 H CB 1.189 31.004 29.762 0.089 0.000 1.450 402 H HN 0.572 nan 8.280 nan 0.000 0.505 403 T N -0.041 114.655 114.554 0.236 0.000 2.926 403 T HA 0.256 4.605 4.350 -0.001 0.000 0.289 403 T C -1.704 173.023 174.700 0.045 0.000 1.054 403 T CA -2.089 60.091 62.100 0.134 0.000 1.015 403 T CB 1.592 70.533 68.868 0.122 0.000 1.167 403 T HN 0.248 nan 8.240 nan 0.000 0.526 404 P HA 0.079 nan 4.420 nan 0.000 0.215 404 P C -0.147 177.106 177.300 -0.079 0.000 1.153 404 P CA 0.490 63.537 63.100 -0.088 0.000 0.853 404 P CB 0.039 31.688 31.700 -0.085 0.000 0.788 405 V N 1.403 121.281 119.914 -0.060 0.000 2.357 405 V HA 0.199 4.318 4.120 -0.001 0.000 0.284 405 V C -0.015 176.029 176.094 -0.083 0.000 1.018 405 V CA -0.776 61.477 62.300 -0.078 0.000 0.841 405 V CB 1.243 33.021 31.823 -0.074 0.000 0.991 405 V HN 0.031 nan 8.190 nan 0.000 0.437 406 N N 3.305 121.911 118.700 -0.156 0.000 2.663 406 N HA 0.041 4.780 4.740 -0.001 0.000 0.250 406 N C 1.466 176.757 175.510 -0.366 0.000 1.129 406 N CA 0.214 53.106 53.050 -0.263 0.000 0.995 406 N CB 1.492 39.696 38.487 -0.471 0.000 1.324 406 N HN 0.846 nan 8.380 nan 0.000 0.512 407 S N 2.065 117.672 115.700 -0.155 0.000 2.399 407 S HA -0.127 4.342 4.470 -0.001 0.000 0.231 407 S C 1.894 176.443 174.600 -0.087 0.000 1.022 407 S CA 0.300 58.444 58.200 -0.093 0.000 0.983 407 S CB -0.419 62.779 63.200 -0.003 0.000 0.803 407 S HN 0.781 nan 8.310 nan 0.000 0.480 408 W N 1.427 122.632 121.300 -0.159 0.000 2.342 408 W HA -0.066 4.593 4.660 -0.001 0.000 0.297 408 W C 1.729 178.160 176.519 -0.148 0.000 1.213 408 W CA 0.625 57.830 57.345 -0.234 0.000 1.251 408 W CB -1.117 27.794 29.460 -0.915 0.000 1.136 408 W HN 0.377 nan 8.180 nan 0.000 0.526 409 L N 2.836 123.398 121.223 -1.103 0.000 2.072 409 L HA 0.186 4.525 4.340 -0.001 0.000 0.205 409 L C 2.641 179.293 176.870 -0.363 0.000 1.079 409 L CA 2.739 56.997 54.840 -0.969 0.000 0.752 409 L CB -1.399 39.840 42.059 -1.367 0.000 0.906 409 L HN 0.041 nan 8.230 nan 0.000 0.436 410 G N -0.605 108.011 108.800 -0.307 0.000 2.418 410 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 410 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 410 G C 1.452 176.352 174.900 -0.001 0.000 1.158 410 G CA 0.723 45.733 45.100 -0.150 0.000 0.771 410 G HN 0.444 nan 8.290 nan 0.000 0.545 411 N N 0.490 119.251 118.700 0.100 0.000 2.244 411 N HA 0.005 4.744 4.740 -0.001 0.000 0.183 411 N C 2.203 177.857 175.510 0.240 0.000 1.016 411 N CA 0.519 53.759 53.050 0.316 0.000 0.866 411 N CB -0.080 38.664 38.487 0.427 0.000 0.980 411 N HN 0.334 nan 8.380 nan 0.000 0.430 412 I N 0.838 121.501 120.570 0.155 0.000 2.252 412 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 412 I C 2.007 178.170 176.117 0.076 0.000 1.102 412 I CA 0.782 62.158 61.300 0.127 0.000 1.385 412 I CB -0.081 38.059 38.000 0.234 0.000 1.064 412 I HN 0.032 nan 8.210 nan 0.000 0.414 413 I N 0.043 120.659 120.570 0.076 0.000 2.179 413 I HA -0.300 3.869 4.170 -0.001 0.000 0.242 413 I C 2.454 178.659 176.117 0.146 0.000 1.088 413 I CA 1.283 62.652 61.300 0.115 0.000 1.357 413 I CB -0.197 37.855 38.000 0.086 0.000 1.051 413 I HN 0.212 nan 8.210 nan 0.000 0.409 414 M N -0.850 118.763 119.600 0.020 0.000 2.349 414 M HA -0.086 4.394 4.480 -0.001 0.000 0.266 414 M C 0.876 176.930 176.300 -0.410 0.000 1.076 414 M CA 1.570 56.769 55.300 -0.168 0.000 1.126 414 M CB -0.589 31.803 32.600 -0.347 0.000 1.392 414 M HN 0.195 nan 8.290 nan 0.000 0.440 415 Y N -0.569 119.731 120.300 -0.001 0.000 2.734 415 Y HA 0.483 5.033 4.550 -0.001 0.000 0.278 415 Y C 1.766 177.424 175.900 -0.403 0.000 1.108 415 Y CA -0.395 57.599 58.100 -0.177 0.000 1.211 415 Y CB -0.848 37.471 38.460 -0.235 0.000 1.182 415 Y HN 0.142 nan 8.280 nan 0.000 0.547 416 A N 0.953 123.562 122.820 -0.351 0.000 1.927 416 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 416 A C -0.396 176.926 177.584 -0.435 0.000 1.185 416 A CA 1.793 53.595 52.037 -0.391 0.000 0.639 416 A CB -1.353 17.394 19.000 -0.421 0.000 0.820 416 A HN 0.298 nan 8.150 nan 0.000 0.451 417 P HA 0.018 nan 4.420 nan 0.000 0.233 417 P C 0.692 177.771 177.300 -0.368 0.000 1.167 417 P CA 1.207 64.057 63.100 -0.417 0.000 0.770 417 P CB -0.388 31.076 31.700 -0.393 0.000 0.837 418 T N -2.285 112.056 114.554 -0.354 0.000 2.900 418 T HA 0.071 4.421 4.350 -0.001 0.000 0.307 418 T C 1.144 175.449 174.700 -0.659 0.000 1.065 418 T CA -0.598 61.234 62.100 -0.447 0.000 1.105 418 T CB 0.513 68.906 68.868 -0.791 0.000 0.979 418 T HN -0.169 nan 8.240 nan 0.000 0.544 419 L N 2.676 123.376 121.223 -0.872 0.000 2.012 419 L HA 0.011 4.350 4.340 -0.001 0.000 0.210 419 L C 2.401 178.956 176.870 -0.524 0.000 1.073 419 L CA 1.760 56.077 54.840 -0.873 0.000 0.748 419 L CB -1.046 40.377 42.059 -1.060 0.000 0.891 419 L HN 0.934 nan 8.230 nan 0.000 0.431 420 W N -0.556 120.532 121.300 -0.353 0.000 2.388 420 W HA 0.037 4.696 4.660 -0.001 0.000 0.294 420 W C 2.022 178.412 176.519 -0.215 0.000 1.212 420 W CA 0.876 58.056 57.345 -0.276 0.000 1.271 420 W CB -1.482 27.851 29.460 -0.212 0.000 1.126 420 W HN 0.331 nan 8.180 nan 0.000 0.535 421 A N 1.906 124.212 122.820 -0.858 0.000 1.930 421 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 421 A C 2.254 179.684 177.584 -0.257 0.000 1.175 421 A CA 1.824 53.538 52.037 -0.539 0.000 0.627 421 A CB -0.722 17.821 19.000 -0.762 0.000 0.815 421 A HN 0.325 nan 8.150 nan 0.000 0.443 422 R N -1.305 118.975 120.500 -0.365 0.000 2.062 422 R HA 0.046 4.385 4.340 -0.001 0.000 0.229 422 R C 2.372 178.501 176.300 -0.285 0.000 1.128 422 R CA 1.477 57.406 56.100 -0.286 0.000 0.960 422 R CB -0.421 29.603 30.300 -0.461 0.000 0.855 422 R HN 0.625 nan 8.270 nan 0.000 0.432 423 M N 0.460 119.728 119.600 -0.554 0.000 2.117 423 M HA -0.129 4.351 4.480 -0.001 0.000 0.262 423 M C 1.638 177.762 176.300 -0.294 0.000 1.065 423 M CA 1.858 56.844 55.300 -0.523 0.000 1.114 423 M CB 0.175 32.472 32.600 -0.505 0.000 1.361 423 M HN 0.106 nan 8.290 nan 0.000 0.408 424 I N -0.982 119.319 120.570 -0.448 0.000 2.962 424 I HA -0.111 4.058 4.170 -0.001 0.000 0.246 424 I C 2.060 178.039 176.117 -0.229 0.000 1.091 424 I CA 0.248 61.088 61.300 -0.767 0.000 1.469 424 I CB -0.382 37.158 38.000 -0.767 0.000 1.324 424 I HN 0.207 nan 8.210 nan 0.000 0.461 425 L N 0.317 121.579 121.223 0.065 0.000 2.017 425 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 425 L C 2.690 179.881 176.870 0.535 0.000 1.073 425 L CA 1.647 56.724 54.840 0.397 0.000 0.745 425 L CB -0.470 41.854 42.059 0.440 0.000 0.894 425 L HN 0.293 nan 8.230 nan 0.000 0.432 426 M N -0.827 119.044 119.600 0.452 0.000 2.067 426 M HA -0.185 4.294 4.480 -0.001 0.000 0.260 426 M C 2.362 179.171 176.300 0.849 0.000 1.069 426 M CA 2.145 57.820 55.300 0.625 0.000 1.117 426 M CB -0.607 32.175 32.600 0.303 0.000 1.334 426 M HN 0.265 nan 8.290 nan 0.000 0.407 427 T N -1.375 113.651 114.554 0.786 0.000 2.674 427 T HA -0.232 4.118 4.350 -0.001 0.000 0.265 427 T C 1.648 176.655 174.700 0.512 0.000 1.039 427 T CA 1.925 64.452 62.100 0.711 0.000 1.150 427 T CB -0.609 68.719 68.868 0.766 0.000 0.864 427 T HN 0.450 nan 8.240 nan 0.000 0.427 428 H N 0.425 119.684 119.070 0.316 0.000 2.290 428 H HA -0.034 4.522 4.556 -0.001 0.000 0.298 428 H C 1.790 176.975 175.328 -0.238 0.000 1.087 428 H CA 1.652 57.742 56.048 0.070 0.000 1.291 428 H CB -0.511 29.172 29.762 -0.131 0.000 1.369 428 H HN 0.346 nan 8.280 nan 0.000 0.492 429 F N -1.230 118.686 119.950 -0.056 0.000 2.293 429 F HA -0.005 4.522 4.527 -0.001 0.000 0.297 429 F C 2.015 177.635 175.800 -0.300 0.000 1.089 429 F CA 0.545 58.261 58.000 -0.474 0.000 1.377 429 F CB -0.510 37.821 39.000 -1.115 0.000 1.051 429 F HN 0.140 nan 8.300 nan 0.000 0.511 430 F N -0.527 119.512 119.950 0.149 0.000 2.234 430 F HA -0.181 4.345 4.527 -0.001 0.000 0.299 430 F C 2.744 178.577 175.800 0.055 0.000 1.087 430 F CA 1.481 59.592 58.000 0.185 0.000 1.340 430 F CB -0.846 38.383 39.000 0.381 0.000 1.031 430 F HN -0.090 nan 8.300 nan 0.000 0.500 431 S N 0.429 116.214 115.700 0.142 0.000 2.356 431 S HA -0.183 4.286 4.470 -0.001 0.000 0.223 431 S C 2.128 176.689 174.600 -0.064 0.000 1.032 431 S CA 1.526 59.737 58.200 0.018 0.000 1.005 431 S CB -0.468 62.727 63.200 -0.009 0.000 0.867 431 S HN 0.331 nan 8.310 nan 0.000 0.449 432 I N 1.277 121.738 120.570 -0.181 0.000 2.179 432 I HA -0.165 4.004 4.170 -0.001 0.000 0.242 432 I C 2.296 178.362 176.117 -0.084 0.000 1.088 432 I CA 1.075 62.263 61.300 -0.187 0.000 1.357 432 I CB -0.408 37.400 38.000 -0.320 0.000 1.051 432 I HN 0.307 nan 8.210 nan 0.000 0.409 433 L N 0.190 121.365 121.223 -0.079 0.000 2.042 433 L HA -0.260 4.080 4.340 -0.001 0.000 0.210 433 L C 2.588 179.466 176.870 0.014 0.000 1.076 433 L CA 1.445 56.265 54.840 -0.032 0.000 0.749 433 L CB -0.587 41.415 42.059 -0.096 0.000 0.893 433 L HN 0.292 nan 8.230 nan 0.000 0.432 434 L N -0.391 120.855 121.223 0.039 0.000 1.976 434 L HA -0.231 4.108 4.340 -0.001 0.000 0.209 434 L C 2.893 179.777 176.870 0.023 0.000 1.071 434 L CA 1.420 56.292 54.840 0.054 0.000 0.746 434 L CB -0.657 41.441 42.059 0.065 0.000 0.890 434 L HN 0.249 nan 8.230 nan 0.000 0.432 435 A N -1.040 121.781 122.820 0.002 0.000 1.948 435 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 435 A C 2.069 179.654 177.584 0.001 0.000 1.177 435 A CA 1.531 53.564 52.037 -0.007 0.000 0.636 435 A CB -0.327 18.657 19.000 -0.028 0.000 0.815 435 A HN 0.479 nan 8.150 nan 0.000 0.449 436 Q N -0.885 118.919 119.800 0.006 0.000 2.360 436 Q HA 0.087 4.426 4.340 -0.001 0.000 0.202 436 Q C -0.484 175.530 176.000 0.024 0.000 0.915 436 Q CA 0.296 56.110 55.803 0.018 0.000 0.943 436 Q CB 0.056 28.812 28.738 0.030 0.000 1.064 436 Q HN 0.776 nan 8.270 nan 0.000 0.511 437 E N 0.917 121.133 120.200 0.026 0.000 2.230 437 E HA -0.233 4.116 4.350 -0.001 0.000 0.206 437 E C -0.403 176.218 176.600 0.035 0.000 1.309 437 E CA 0.254 56.674 56.400 0.033 0.000 0.697 437 E CB -0.889 28.827 29.700 0.027 0.000 1.146 437 E HN 0.429 nan 8.360 nan 0.000 0.363 438 Q N -0.208 119.616 119.800 0.039 0.000 2.089 438 Q HA 0.100 4.440 4.340 -0.001 0.000 0.248 438 Q C 1.019 177.049 176.000 0.050 0.000 0.828 438 Q CA -0.496 55.333 55.803 0.042 0.000 1.102 438 Q CB 0.538 29.302 28.738 0.044 0.000 1.221 438 Q HN 0.181 nan 8.270 nan 0.000 0.455 439 L N 1.663 122.920 121.223 0.057 0.000 2.042 439 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 439 L C 2.086 179.005 176.870 0.081 0.000 1.076 439 L CA 2.080 56.964 54.840 0.074 0.000 0.749 439 L CB -0.421 41.708 42.059 0.118 0.000 0.893 439 L HN 0.426 nan 8.230 nan 0.000 0.432 440 E N -0.637 119.606 120.200 0.072 0.000 2.465 440 E HA -0.039 4.310 4.350 -0.001 0.000 0.191 440 E C 0.697 177.331 176.600 0.057 0.000 1.053 440 E CA -0.176 56.265 56.400 0.068 0.000 0.869 440 E CB -0.076 29.660 29.700 0.060 0.000 0.977 440 E HN 0.261 nan 8.360 nan 0.000 0.483 441 K N 2.010 122.442 120.400 0.054 0.000 2.312 441 K HA 0.317 4.636 4.320 -0.001 0.000 0.287 441 K C -0.459 176.170 176.600 0.049 0.000 1.062 441 K CA -0.269 56.045 56.287 0.045 0.000 0.934 441 K CB 0.859 33.381 32.500 0.038 0.000 1.027 441 K HN 0.103 nan 8.250 nan 0.000 0.478 442 A N 5.476 128.322 122.820 0.043 0.000 2.488 442 A HA 0.308 4.627 4.320 -0.001 0.000 0.249 442 A C -0.483 177.116 177.584 0.025 0.000 1.083 442 A CA -0.233 51.828 52.037 0.040 0.000 0.768 442 A CB 0.073 19.103 19.000 0.050 0.000 1.017 442 A HN 0.769 nan 8.150 nan 0.000 0.496 443 L N 2.224 123.447 121.223 -0.000 0.000 2.354 443 L HA 0.400 4.739 4.340 -0.001 0.000 0.269 443 L C -0.731 176.100 176.870 -0.064 0.000 1.005 443 L CA -1.041 53.778 54.840 -0.034 0.000 0.819 443 L CB 1.984 44.007 42.059 -0.060 0.000 1.311 443 L HN 0.585 nan 8.230 nan 0.000 0.423 444 D N 1.287 121.652 120.400 -0.059 0.000 2.255 444 D HA 0.496 5.135 4.640 -0.001 0.000 0.249 444 D C -0.423 175.805 176.300 -0.121 0.000 1.078 444 D CA -0.038 53.932 54.000 -0.051 0.000 0.896 444 D CB 1.746 42.541 40.800 -0.009 0.000 1.194 444 D HN 0.627 nan 8.370 nan 0.000 0.429 445 C N 0.012 119.241 119.300 -0.118 0.000 3.318 445 C HA 0.656 5.115 4.460 -0.001 0.000 0.322 445 C C -1.160 173.773 174.990 -0.094 0.000 1.398 445 C CA -0.876 58.048 59.018 -0.156 0.000 1.339 445 C CB 1.326 28.914 27.740 -0.253 0.000 1.668 445 C HN 0.542 nan 8.230 nan 0.000 0.462 446 Q N 0.464 120.212 119.800 -0.087 0.000 2.342 446 Q HA 0.768 5.107 4.340 -0.001 0.000 0.267 446 Q C -1.304 174.656 176.000 -0.067 0.000 1.038 446 Q CA -0.470 55.313 55.803 -0.033 0.000 0.832 446 Q CB 2.536 31.267 28.738 -0.012 0.000 1.323 446 Q HN 0.714 nan 8.270 nan 0.000 0.448 447 I N 2.893 123.431 120.570 -0.053 0.000 2.468 447 I HA 0.185 4.354 4.170 -0.001 0.000 0.284 447 I C -1.106 175.009 176.117 -0.002 0.000 1.038 447 I CA -0.740 60.431 61.300 -0.214 0.000 1.083 447 I CB 1.006 38.585 38.000 -0.702 0.000 1.223 447 I HN 0.688 nan 8.210 nan 0.000 0.443 448 Y N 4.962 125.290 120.300 0.046 0.000 3.589 448 Y HA -0.259 4.291 4.550 -0.001 0.000 0.218 448 Y C 1.446 177.298 175.900 -0.079 0.000 1.234 448 Y CA 1.098 59.199 58.100 0.001 0.000 1.576 448 Y CB -1.987 36.458 38.460 -0.025 0.000 1.487 448 Y HN 0.961 nan 8.280 nan 0.000 0.616 449 G N -2.067 106.817 108.800 0.141 0.000 2.284 449 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.247 449 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.247 449 G C 0.496 175.449 174.900 0.089 0.000 1.012 449 G CA 0.186 45.340 45.100 0.090 0.000 0.618 449 G HN 1.590 nan 8.290 nan 0.000 0.521 450 A N -0.221 122.676 122.820 0.129 0.000 2.354 450 A HA 0.605 4.924 4.320 -0.001 0.000 0.269 450 A C 0.735 178.231 177.584 -0.146 0.000 1.109 450 A CA 0.542 52.564 52.037 -0.025 0.000 0.800 450 A CB 0.722 19.721 19.000 -0.001 0.000 1.045 450 A HN 1.539 nan 8.150 nan 0.000 0.489 451 C N 2.892 122.027 119.300 -0.275 0.000 2.369 451 C HA 0.737 5.197 4.460 -0.001 0.000 0.358 451 C C -0.824 173.802 174.990 -0.607 0.000 1.274 451 C CA -0.380 58.499 59.018 -0.230 0.000 1.935 451 C CB -1.285 26.453 27.740 -0.002 0.000 2.431 451 C HN 0.670 nan 8.230 nan 0.000 0.545 452 Y N 2.610 122.708 120.300 -0.337 0.000 2.499 452 Y HA 0.466 5.015 4.550 -0.001 0.000 0.347 452 Y C 0.329 176.075 175.900 -0.257 0.000 0.987 452 Y CA -0.430 57.418 58.100 -0.419 0.000 1.044 452 Y CB 1.829 39.964 38.460 -0.542 0.000 1.245 452 Y HN 0.580 nan 8.280 nan 0.000 0.461 453 S N 3.466 119.134 115.700 -0.054 0.000 2.429 453 S HA 0.723 5.193 4.470 -0.001 0.000 0.302 453 S C -1.028 173.599 174.600 0.046 0.000 1.115 453 S CA -0.317 57.901 58.200 0.030 0.000 1.095 453 S CB -0.295 62.960 63.200 0.091 0.000 0.987 453 S HN 0.526 nan 8.310 nan 0.000 0.474 454 I N 3.803 124.385 120.570 0.019 0.000 2.582 454 I HA 0.360 4.530 4.170 -0.001 0.000 0.292 454 I C -0.423 175.712 176.117 0.030 0.000 1.066 454 I CA -0.666 60.657 61.300 0.038 0.000 1.053 454 I CB 2.353 40.359 38.000 0.011 0.000 1.241 454 I HN 0.558 nan 8.210 nan 0.000 0.421 455 E N 6.782 127.019 120.200 0.062 0.000 2.130 455 E HA 0.201 4.550 4.350 -0.001 0.000 0.284 455 E C -1.864 174.792 176.600 0.094 0.000 1.018 455 E CA -1.581 54.861 56.400 0.069 0.000 0.817 455 E CB 1.285 31.029 29.700 0.073 0.000 1.078 455 E HN 0.312 nan 8.360 nan 0.000 0.396 456 P HA -0.223 nan 4.420 nan 0.000 0.217 456 P C 1.000 178.464 177.300 0.273 0.000 1.151 456 P CA 1.200 64.391 63.100 0.151 0.000 0.849 456 P CB 0.216 31.948 31.700 0.054 0.000 0.787 457 L N -1.010 120.344 121.223 0.219 0.000 2.353 457 L HA -0.138 4.201 4.340 -0.001 0.000 0.220 457 L C 1.237 178.206 176.870 0.165 0.000 1.133 457 L CA 1.172 56.150 54.840 0.229 0.000 0.798 457 L CB -0.636 41.520 42.059 0.161 0.000 0.922 457 L HN 0.000 nan 8.230 nan 0.000 0.445 458 D N -0.468 120.015 120.400 0.138 0.000 2.339 458 D HA 0.023 4.662 4.640 -0.001 0.000 0.217 458 D C 2.204 178.567 176.300 0.104 0.000 1.050 458 D CA 0.224 54.278 54.000 0.090 0.000 0.856 458 D CB 0.371 41.214 40.800 0.070 0.000 0.922 458 D HN 0.293 nan 8.370 nan 0.000 0.518 459 L N 0.981 122.310 121.223 0.177 0.000 2.012 459 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 459 L C -0.446 176.519 176.870 0.158 0.000 1.073 459 L CA 1.607 56.566 54.840 0.199 0.000 0.748 459 L CB -1.423 40.831 42.059 0.325 0.000 0.891 459 L HN 0.042 nan 8.230 nan 0.000 0.431 460 P HA -0.204 nan 4.420 nan 0.000 0.215 460 P C 1.429 178.754 177.300 0.042 0.000 1.157 460 P CA 1.380 64.487 63.100 0.012 0.000 0.868 460 P CB 0.023 31.567 31.700 -0.261 0.000 0.788 461 Q N -0.833 118.949 119.800 -0.031 0.000 2.050 461 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 461 Q C 2.242 178.227 176.000 -0.024 0.000 0.980 461 Q CA 1.273 57.047 55.803 -0.047 0.000 0.840 461 Q CB -0.685 28.017 28.738 -0.061 0.000 0.898 461 Q HN 0.263 nan 8.270 nan 0.000 0.424 462 I N 0.560 121.125 120.570 -0.009 0.000 2.163 462 I HA -0.302 3.868 4.170 -0.001 0.000 0.243 462 I C 2.241 178.370 176.117 0.020 0.000 1.085 462 I CA 1.243 62.515 61.300 -0.046 0.000 1.347 462 I CB -0.333 37.684 38.000 0.027 0.000 1.044 462 I HN 0.217 nan 8.210 nan 0.000 0.408 463 I N 0.449 121.091 120.570 0.120 0.000 2.226 463 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 463 I C 2.666 178.814 176.117 0.052 0.000 1.100 463 I CA 1.466 62.853 61.300 0.146 0.000 1.374 463 I CB -0.412 37.674 38.000 0.143 0.000 1.057 463 I HN 0.313 nan 8.210 nan 0.000 0.413 464 E N 1.050 121.311 120.200 0.103 0.000 2.031 464 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 464 E C 2.438 179.032 176.600 -0.010 0.000 0.994 464 E CA 1.102 57.545 56.400 0.071 0.000 0.800 464 E CB 0.102 29.883 29.700 0.134 0.000 0.752 464 E HN 0.262 nan 8.360 nan 0.000 0.447 465 R N 0.267 120.741 120.500 -0.043 0.000 2.080 465 R HA -0.146 4.194 4.340 -0.001 0.000 0.236 465 R C 2.535 178.759 176.300 -0.127 0.000 1.137 465 R CA 1.193 57.236 56.100 -0.095 0.000 0.943 465 R CB -0.830 29.378 30.300 -0.153 0.000 0.846 465 R HN 0.357 nan 8.270 nan 0.000 0.431 466 L N -0.831 120.297 121.223 -0.158 0.000 2.131 466 L HA -0.078 4.262 4.340 -0.001 0.000 0.206 466 L C 2.000 178.597 176.870 -0.455 0.000 1.087 466 L CA 1.058 55.716 54.840 -0.303 0.000 0.767 466 L CB -0.364 41.488 42.059 -0.344 0.000 0.917 466 L HN 0.280 nan 8.230 nan 0.000 0.441 467 H N -0.799 118.195 119.070 -0.125 0.000 2.874 467 H HA 0.296 4.851 4.556 -0.001 0.000 0.264 467 H C 0.922 176.162 175.328 -0.146 0.000 1.007 467 H CA 0.742 56.702 56.048 -0.146 0.000 1.207 467 H CB 1.045 30.691 29.762 -0.193 0.000 1.487 467 H HN 0.293 nan 8.280 nan 0.000 0.505 468 G N 1.019 109.798 108.800 -0.034 0.000 2.730 468 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.686 468 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.686 468 G C 0.676 175.533 174.900 -0.072 0.000 1.343 468 G CA -0.169 44.912 45.100 -0.033 0.000 0.826 468 G HN 0.234 nan 8.290 nan 0.000 0.582 469 L N 0.972 122.211 121.223 0.026 0.000 2.189 469 L HA -0.171 4.168 4.340 -0.001 0.000 0.214 469 L C 3.194 180.081 176.870 0.029 0.000 1.097 469 L CA 2.426 57.345 54.840 0.131 0.000 0.764 469 L CB -0.485 41.694 42.059 0.199 0.000 0.900 469 L HN 0.952 nan 8.230 nan 0.000 0.436 470 S N -0.370 115.304 115.700 -0.043 0.000 2.469 470 S HA -0.155 4.314 4.470 -0.001 0.000 0.238 470 S C 2.063 176.559 174.600 -0.174 0.000 0.998 470 S CA 0.771 58.929 58.200 -0.070 0.000 0.957 470 S CB -0.370 62.786 63.200 -0.073 0.000 0.764 470 S HN 0.397 nan 8.310 nan 0.000 0.514 471 A N 0.889 123.499 122.820 -0.350 0.000 2.070 471 A HA 0.135 4.454 4.320 -0.001 0.000 0.220 471 A C 1.479 178.807 177.584 -0.425 0.000 1.159 471 A CA 1.015 52.750 52.037 -0.502 0.000 0.656 471 A CB -0.807 17.758 19.000 -0.724 0.000 0.800 471 A HN 0.597 nan 8.150 nan 0.000 0.453 472 F N -0.212 119.749 119.950 0.019 0.000 2.727 472 F HA 0.149 4.676 4.527 -0.001 0.000 0.302 472 F C 1.778 177.617 175.800 0.066 0.000 1.097 472 F CA 0.522 58.558 58.000 0.060 0.000 1.330 472 F CB 0.102 39.170 39.000 0.113 0.000 1.084 472 F HN 0.252 nan 8.300 nan 0.000 0.578 473 S N -1.221 114.569 115.700 0.149 0.000 2.900 473 S HA 0.311 4.781 4.470 -0.001 0.000 0.253 473 S C -0.022 174.638 174.600 0.100 0.000 1.029 473 S CA -0.386 57.900 58.200 0.143 0.000 1.096 473 S CB -0.612 62.667 63.200 0.131 0.000 1.067 473 S HN 0.056 nan 8.310 nan 0.000 0.610 474 L N 3.240 124.426 121.223 -0.061 0.000 2.456 474 L HA 0.445 4.784 4.340 -0.001 0.000 0.272 474 L C 0.549 177.248 176.870 -0.285 0.000 1.189 474 L CA 0.124 54.782 54.840 -0.303 0.000 0.846 474 L CB 0.091 41.831 42.059 -0.530 0.000 1.111 474 L HN 0.699 nan 8.230 nan 0.000 0.475 475 H N -1.562 117.221 119.070 -0.479 0.000 2.902 475 H HA 0.323 4.878 4.556 -0.001 0.000 0.297 475 H C -0.281 174.855 175.328 -0.320 0.000 1.406 475 H CA -0.829 55.009 56.048 -0.350 0.000 1.134 475 H CB 0.952 30.667 29.762 -0.078 0.000 1.833 475 H HN 0.362 nan 8.280 nan 0.000 0.527 476 S N -0.387 115.304 115.700 -0.015 0.000 3.608 476 S HA -0.229 4.240 4.470 -0.001 0.000 0.382 476 S C -0.510 174.072 174.600 -0.031 0.000 0.945 476 S CA 0.497 58.737 58.200 0.066 0.000 1.256 476 S CB -2.317 60.976 63.200 0.155 0.000 0.913 476 S HN 0.517 nan 8.310 nan 0.000 0.518 477 Y N 1.780 122.099 120.300 0.031 0.000 2.335 477 Y HA 0.248 4.797 4.550 -0.001 0.000 0.348 477 Y C 1.484 177.416 175.900 0.054 0.000 1.280 477 Y CA 0.519 58.635 58.100 0.027 0.000 1.504 477 Y CB 0.305 38.790 38.460 0.042 0.000 1.366 477 Y HN 0.510 nan 8.280 nan 0.000 0.621 478 S N 0.522 116.365 115.700 0.239 0.000 2.593 478 S HA 0.157 4.627 4.470 -0.001 0.000 0.269 478 S C -2.072 172.605 174.600 0.129 0.000 1.334 478 S CA -1.081 57.204 58.200 0.141 0.000 1.015 478 S CB 1.258 64.520 63.200 0.104 0.000 0.912 478 S HN 0.404 nan 8.310 nan 0.000 0.541 479 P HA 0.026 nan 4.420 nan 0.000 0.215 479 P C 1.734 179.071 177.300 0.063 0.000 1.153 479 P CA 1.595 64.740 63.100 0.075 0.000 0.853 479 P CB -0.440 31.297 31.700 0.060 0.000 0.788 480 G N -0.254 108.579 108.800 0.055 0.000 2.408 480 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 480 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 480 G C 1.666 176.590 174.900 0.040 0.000 1.150 480 G CA 0.775 45.898 45.100 0.038 0.000 0.776 480 G HN 0.246 nan 8.290 nan 0.000 0.542 481 E N 0.767 121.008 120.200 0.068 0.000 2.047 481 E HA -0.028 4.322 4.350 -0.001 0.000 0.191 481 E C 2.450 179.084 176.600 0.056 0.000 0.987 481 E CA 0.717 57.164 56.400 0.079 0.000 0.799 481 E CB -0.440 29.356 29.700 0.160 0.000 0.752 481 E HN 0.459 nan 8.360 nan 0.000 0.449 482 I N 0.878 121.492 120.570 0.073 0.000 2.208 482 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 482 I C 1.898 178.035 176.117 0.033 0.000 1.097 482 I CA 1.170 62.502 61.300 0.052 0.000 1.363 482 I CB -0.445 37.605 38.000 0.083 0.000 1.051 482 I HN 0.173 nan 8.210 nan 0.000 0.413 483 N N 0.688 119.408 118.700 0.035 0.000 2.120 483 N HA -0.205 4.534 4.740 -0.001 0.000 0.188 483 N C 1.886 177.399 175.510 0.006 0.000 1.024 483 N CA 1.204 54.268 53.050 0.023 0.000 0.852 483 N CB -0.413 38.089 38.487 0.024 0.000 1.003 483 N HN 0.314 nan 8.380 nan 0.000 0.424 484 R N 0.642 121.140 120.500 -0.005 0.000 2.075 484 R HA -0.024 4.316 4.340 -0.001 0.000 0.232 484 R C 1.861 178.129 176.300 -0.053 0.000 1.126 484 R CA 0.928 57.008 56.100 -0.033 0.000 0.963 484 R CB -0.185 30.086 30.300 -0.049 0.000 0.858 484 R HN -0.028 nan 8.270 nan 0.000 0.435 485 V N 1.101 120.990 119.914 -0.042 0.000 2.295 485 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 485 V C 2.489 178.568 176.094 -0.024 0.000 1.049 485 V CA 1.968 64.238 62.300 -0.048 0.000 1.024 485 V CB -0.797 31.018 31.823 -0.013 0.000 0.648 485 V HN 0.565 nan 8.190 nan 0.000 0.447 486 A N -0.262 122.558 122.820 -0.001 0.000 1.883 486 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 486 A C 2.487 180.078 177.584 0.012 0.000 1.186 486 A CA 2.456 54.503 52.037 0.016 0.000 0.624 486 A CB -0.808 18.208 19.000 0.026 0.000 0.822 486 A HN 0.524 nan 8.150 nan 0.000 0.444 487 S N -1.212 114.490 115.700 0.002 0.000 2.368 487 S HA -0.223 4.246 4.470 -0.001 0.000 0.225 487 S C 2.070 176.669 174.600 -0.001 0.000 1.030 487 S CA 1.290 59.493 58.200 0.004 0.000 0.999 487 S CB -0.971 62.227 63.200 -0.003 0.000 0.844 487 S HN 0.804 nan 8.310 nan 0.000 0.459 488 C N 2.176 121.460 119.300 -0.027 0.000 2.429 488 C HA 0.018 4.478 4.460 -0.001 0.000 0.277 488 C C 2.439 177.419 174.990 -0.015 0.000 1.262 488 C CA 0.514 59.509 59.018 -0.039 0.000 1.733 488 C CB -1.630 26.047 27.740 -0.105 0.000 2.010 488 C HN 0.563 nan 8.230 nan 0.000 0.483 489 L N 0.282 121.501 121.223 -0.008 0.000 2.083 489 L HA -0.117 4.222 4.340 -0.001 0.000 0.209 489 L C 3.029 179.905 176.870 0.010 0.000 1.083 489 L CA 1.668 56.516 54.840 0.012 0.000 0.752 489 L CB -0.885 41.199 42.059 0.042 0.000 0.899 489 L HN 0.403 nan 8.230 nan 0.000 0.433 490 R N 0.371 120.887 120.500 0.026 0.000 2.075 490 R HA -0.178 4.161 4.340 -0.001 0.000 0.232 490 R C 2.344 178.700 176.300 0.092 0.000 1.126 490 R CA 1.333 57.461 56.100 0.047 0.000 0.963 490 R CB -0.247 30.086 30.300 0.056 0.000 0.858 490 R HN 0.290 nan 8.270 nan 0.000 0.435 491 K N 1.225 121.678 120.400 0.089 0.000 2.009 491 K HA -0.144 4.176 4.320 -0.001 0.000 0.210 491 K C 1.868 178.606 176.600 0.230 0.000 1.049 491 K CA 1.422 57.794 56.287 0.141 0.000 0.929 491 K CB -0.070 32.477 32.500 0.079 0.000 0.714 491 K HN 0.133 nan 8.250 nan 0.000 0.440 492 L N -0.335 120.940 121.223 0.086 0.000 2.492 492 L HA 0.129 4.468 4.340 -0.001 0.000 0.223 492 L C 0.875 177.590 176.870 -0.257 0.000 1.132 492 L CA 0.437 55.299 54.840 0.037 0.000 0.850 492 L CB -0.027 42.051 42.059 0.031 0.000 0.966 492 L HN 0.644 nan 8.230 nan 0.000 0.454 493 G N 1.145 109.690 108.800 -0.425 0.000 2.291 493 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.271 493 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.271 493 G C -0.163 174.598 174.900 -0.231 0.000 1.099 493 G CA -0.089 44.628 45.100 -0.638 0.000 0.919 493 G HN 0.072 nan 8.290 nan 0.000 0.496 494 V N 0.777 120.653 119.914 -0.063 0.000 2.509 494 V HA 0.438 4.558 4.120 -0.001 0.000 0.284 494 V C -1.062 175.116 176.094 0.140 0.000 1.047 494 V CA -1.539 60.816 62.300 0.091 0.000 0.952 494 V CB 1.513 33.425 31.823 0.149 0.000 0.988 494 V HN 0.258 nan 8.190 nan 0.000 0.469 495 P HA 0.110 nan 4.420 nan 0.000 0.267 495 P C -2.409 174.991 177.300 0.167 0.000 1.201 495 P CA -0.551 62.567 63.100 0.029 0.000 0.775 495 P CB -0.130 31.411 31.700 -0.264 0.000 0.854 496 P HA 0.042 nan 4.420 nan 0.000 0.275 496 P C 0.883 178.320 177.300 0.227 0.000 1.266 496 P CA -0.365 62.824 63.100 0.148 0.000 0.793 496 P CB 0.829 32.576 31.700 0.077 0.000 1.074 497 L N 1.166 122.538 121.223 0.248 0.000 2.051 497 L HA -0.231 4.108 4.340 -0.001 0.000 0.214 497 L C 2.782 179.807 176.870 0.259 0.000 1.076 497 L CA 2.300 57.317 54.840 0.295 0.000 0.758 497 L CB -0.559 41.625 42.059 0.209 0.000 0.890 497 L HN 0.459 nan 8.230 nan 0.000 0.433 498 R N -1.073 119.522 120.500 0.158 0.000 2.105 498 R HA -0.151 4.188 4.340 -0.001 0.000 0.239 498 R C 1.900 178.258 176.300 0.097 0.000 1.135 498 R CA 1.780 57.956 56.100 0.127 0.000 0.967 498 R CB -1.171 29.174 30.300 0.076 0.000 0.861 498 R HN 0.271 nan 8.270 nan 0.000 0.442 499 V N 0.399 120.304 119.914 -0.015 0.000 2.323 499 V HA -0.167 3.952 4.120 -0.001 0.000 0.244 499 V C 2.030 178.031 176.094 -0.155 0.000 1.041 499 V CA 1.740 63.932 62.300 -0.180 0.000 1.025 499 V CB -0.691 30.891 31.823 -0.403 0.000 0.656 499 V HN 0.377 nan 8.190 nan 0.000 0.451 500 W N 0.228 121.634 121.300 0.177 0.000 2.363 500 W HA -0.111 4.549 4.660 -0.001 0.000 0.296 500 W C 2.742 179.471 176.519 0.349 0.000 1.212 500 W CA 1.445 58.945 57.345 0.258 0.000 1.260 500 W CB -0.251 29.370 29.460 0.268 0.000 1.131 500 W HN 0.064 nan 8.180 nan 0.000 0.530 501 R N -0.321 120.489 120.500 0.516 0.000 2.075 501 R HA -0.201 4.139 4.340 -0.001 0.000 0.232 501 R C 2.030 178.416 176.300 0.143 0.000 1.126 501 R CA 2.082 58.406 56.100 0.374 0.000 0.963 501 R CB -0.716 29.784 30.300 0.333 0.000 0.858 501 R HN 0.259 nan 8.270 nan 0.000 0.435 502 H N 0.041 119.145 119.070 0.057 0.000 2.321 502 H HA -0.046 4.509 4.556 -0.001 0.000 0.300 502 H C 2.116 177.416 175.328 -0.046 0.000 1.087 502 H CA 2.249 58.285 56.048 -0.019 0.000 1.319 502 H CB 0.200 29.939 29.762 -0.039 0.000 1.379 502 H HN 0.150 nan 8.280 nan 0.000 0.501 503 R N -0.171 120.424 120.500 0.159 0.000 2.096 503 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 503 R C 2.534 178.817 176.300 -0.028 0.000 1.127 503 R CA 0.919 57.065 56.100 0.077 0.000 0.968 503 R CB -0.233 30.119 30.300 0.086 0.000 0.861 503 R HN 0.355 nan 8.270 nan 0.000 0.440 504 A N 1.370 124.176 122.820 -0.024 0.000 1.898 504 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 504 A C 2.097 179.404 177.584 -0.462 0.000 1.181 504 A CA 1.070 52.908 52.037 -0.331 0.000 0.620 504 A CB -0.319 18.505 19.000 -0.293 0.000 0.819 504 A HN 0.204 nan 8.150 nan 0.000 0.442 505 R N -0.554 119.756 120.500 -0.316 0.000 2.083 505 R HA -0.126 4.214 4.340 -0.001 0.000 0.237 505 R C 2.677 178.822 176.300 -0.258 0.000 1.137 505 R CA 1.577 57.500 56.100 -0.295 0.000 0.951 505 R CB -0.493 29.640 30.300 -0.280 0.000 0.851 505 R HN 0.575 nan 8.270 nan 0.000 0.434 506 S N 0.365 115.936 115.700 -0.215 0.000 2.348 506 S HA -0.124 4.345 4.470 -0.001 0.000 0.221 506 S C 2.093 176.588 174.600 -0.176 0.000 1.033 506 S CA 1.499 59.608 58.200 -0.151 0.000 1.010 506 S CB -0.234 62.922 63.200 -0.074 0.000 0.891 506 S HN 0.128 nan 8.310 nan 0.000 0.442 507 V N 2.615 122.380 119.914 -0.250 0.000 2.287 507 V HA -0.196 3.923 4.120 -0.001 0.000 0.248 507 V C 2.751 178.652 176.094 -0.322 0.000 1.053 507 V CA 2.409 64.530 62.300 -0.299 0.000 1.027 507 V CB -0.899 30.620 31.823 -0.506 0.000 0.646 507 V HN 0.536 nan 8.190 nan 0.000 0.447 508 R N 0.272 120.504 120.500 -0.446 0.000 2.080 508 R HA -0.196 4.143 4.340 -0.001 0.000 0.236 508 R C 2.340 178.562 176.300 -0.131 0.000 1.137 508 R CA 1.909 57.858 56.100 -0.253 0.000 0.943 508 R CB -0.589 29.567 30.300 -0.239 0.000 0.846 508 R HN 0.460 nan 8.270 nan 0.000 0.431 509 A N 0.934 123.670 122.820 -0.140 0.000 1.917 509 A HA -0.218 4.102 4.320 -0.001 0.000 0.219 509 A C 2.237 179.786 177.584 -0.059 0.000 1.182 509 A CA 1.862 53.844 52.037 -0.092 0.000 0.633 509 A CB -0.510 18.432 19.000 -0.097 0.000 0.819 509 A HN 0.370 nan 8.150 nan 0.000 0.448 510 R N -0.576 119.889 120.500 -0.059 0.000 2.081 510 R HA 0.009 4.348 4.340 -0.001 0.000 0.235 510 R C 2.069 178.372 176.300 0.006 0.000 1.131 510 R CA 1.396 57.482 56.100 -0.023 0.000 0.960 510 R CB -0.507 29.782 30.300 -0.018 0.000 0.856 510 R HN 0.573 nan 8.270 nan 0.000 0.436 511 L N -0.057 121.174 121.223 0.013 0.000 2.056 511 L HA -0.160 4.179 4.340 -0.001 0.000 0.207 511 L C 2.169 179.062 176.870 0.040 0.000 1.078 511 L CA 1.094 55.969 54.840 0.058 0.000 0.749 511 L CB -0.435 41.678 42.059 0.091 0.000 0.901 511 L HN 0.194 nan 8.230 nan 0.000 0.433 512 L N -0.862 120.368 121.223 0.011 0.000 2.042 512 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 512 L C 2.686 179.559 176.870 0.006 0.000 1.076 512 L CA 1.164 56.007 54.840 0.004 0.000 0.749 512 L CB -0.465 41.583 42.059 -0.019 0.000 0.893 512 L HN 0.202 nan 8.230 nan 0.000 0.432 513 S N -0.980 114.721 115.700 0.002 0.000 2.419 513 S HA -0.246 4.223 4.470 -0.001 0.000 0.233 513 S C 1.887 176.496 174.600 0.015 0.000 1.016 513 S CA 1.030 59.232 58.200 0.004 0.000 0.974 513 S CB -0.137 63.062 63.200 -0.002 0.000 0.786 513 S HN 0.380 nan 8.310 nan 0.000 0.492 514 Q N 0.562 120.379 119.800 0.027 0.000 2.291 514 Q HA 0.171 4.510 4.340 -0.001 0.000 0.205 514 Q C 0.987 177.009 176.000 0.036 0.000 0.970 514 Q CA 0.672 56.497 55.803 0.037 0.000 0.876 514 Q CB -0.242 28.530 28.738 0.057 0.000 0.935 514 Q HN 0.545 nan 8.270 nan 0.000 0.455 515 G N -1.842 106.978 108.800 0.033 0.000 2.855 515 G HA2 0.007 3.967 3.960 -0.001 0.000 0.352 515 G HA3 0.007 3.967 3.960 -0.001 0.000 0.352 515 G C 0.457 175.381 174.900 0.039 0.000 1.415 515 G CA -0.485 44.633 45.100 0.030 0.000 0.871 515 G HN 1.010 nan 8.290 nan 0.000 0.543 516 G N -0.459 108.361 108.800 0.033 0.000 2.581 516 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.291 516 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.291 516 G C 1.074 175.999 174.900 0.042 0.000 1.277 516 G CA 1.431 46.552 45.100 0.035 0.000 0.959 516 G HN 1.679 nan 8.290 nan 0.000 0.554 517 R N 0.190 120.717 120.500 0.046 0.000 2.105 517 R HA 0.106 4.446 4.340 -0.001 0.000 0.239 517 R C 3.229 179.577 176.300 0.081 0.000 1.135 517 R CA 2.626 58.758 56.100 0.053 0.000 0.967 517 R CB -0.770 29.567 30.300 0.062 0.000 0.861 517 R HN 0.848 nan 8.270 nan 0.000 0.442 518 A N 0.727 123.607 122.820 0.100 0.000 1.940 518 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 518 A C 2.334 179.976 177.584 0.098 0.000 1.176 518 A CA 1.745 53.861 52.037 0.132 0.000 0.631 518 A CB -0.833 18.244 19.000 0.128 0.000 0.814 518 A HN 0.400 nan 8.150 nan 0.000 0.446 519 A N -1.044 121.818 122.820 0.069 0.000 1.902 519 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 519 A C 2.300 179.922 177.584 0.063 0.000 1.181 519 A CA 2.255 54.324 52.037 0.053 0.000 0.623 519 A CB -1.218 17.805 19.000 0.039 0.000 0.818 519 A HN 0.430 nan 8.150 nan 0.000 0.443 520 T N -0.772 113.824 114.554 0.070 0.000 2.746 520 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 520 T C 1.911 176.660 174.700 0.082 0.000 1.039 520 T CA 1.511 63.671 62.100 0.100 0.000 1.142 520 T CB -0.699 68.168 68.868 -0.002 0.000 0.866 520 T HN 0.568 nan 8.240 nan 0.000 0.444 521 C N 1.390 120.706 119.300 0.027 0.000 2.413 521 C HA -0.023 4.436 4.460 -0.001 0.000 0.276 521 C C 3.109 178.077 174.990 -0.038 0.000 1.236 521 C CA 0.685 59.669 59.018 -0.056 0.000 1.735 521 C CB -1.535 26.195 27.740 -0.017 0.000 2.031 521 C HN 0.740 nan 8.230 nan 0.000 0.474 522 G N -0.106 108.735 108.800 0.067 0.000 2.446 522 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 522 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 522 G C 1.617 176.555 174.900 0.064 0.000 1.168 522 G CA 1.232 46.415 45.100 0.138 0.000 0.771 522 G HN 0.638 nan 8.290 nan 0.000 0.551 523 K N -0.817 119.583 120.400 -0.000 0.000 2.009 523 K HA -0.119 4.201 4.320 -0.001 0.000 0.210 523 K C 2.282 178.718 176.600 -0.273 0.000 1.049 523 K CA 1.535 57.748 56.287 -0.122 0.000 0.929 523 K CB -0.275 32.163 32.500 -0.104 0.000 0.714 523 K HN 0.411 nan 8.250 nan 0.000 0.440 524 Y N 0.473 120.563 120.300 -0.349 0.000 2.231 524 Y HA 0.018 4.567 4.550 -0.001 0.000 0.294 524 Y C 1.978 177.575 175.900 -0.506 0.000 1.120 524 Y CA 0.668 58.385 58.100 -0.639 0.000 1.141 524 Y CB -0.202 37.493 38.460 -1.275 0.000 1.022 524 Y HN -0.038 nan 8.280 nan 0.000 0.523 525 L N -1.628 119.404 121.223 -0.318 0.000 2.131 525 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 525 L C 0.710 177.238 176.870 -0.570 0.000 1.092 525 L CA 1.404 55.963 54.840 -0.468 0.000 0.759 525 L CB -0.378 41.104 42.059 -0.960 0.000 0.903 525 L HN 0.178 nan 8.230 nan 0.000 0.435 526 F N -1.841 118.035 119.950 -0.122 0.000 2.764 526 F HA 0.180 4.707 4.527 -0.001 0.000 0.310 526 F C 1.657 177.114 175.800 -0.571 0.000 1.124 526 F CA -0.404 57.307 58.000 -0.480 0.000 1.252 526 F CB -0.783 37.956 39.000 -0.436 0.000 1.010 526 F HN 0.009 nan 8.300 nan 0.000 0.518 527 N N 1.062 119.670 118.700 -0.153 0.000 2.289 527 N HA -0.178 4.561 4.740 -0.001 0.000 0.184 527 N C 1.924 177.402 175.510 -0.053 0.000 1.016 527 N CA 1.477 54.460 53.050 -0.111 0.000 0.872 527 N CB -0.083 38.363 38.487 -0.069 0.000 0.973 527 N HN 0.587 nan 8.380 nan 0.000 0.433 528 W N 0.141 121.487 121.300 0.077 0.000 2.465 528 W HA 0.071 4.730 4.660 -0.001 0.000 0.268 528 W C 1.493 178.070 176.519 0.096 0.000 1.242 528 W CA 0.596 57.993 57.345 0.087 0.000 1.248 528 W CB -0.611 28.917 29.460 0.114 0.000 1.118 528 W HN -0.006 nan 8.180 nan 0.000 0.587 529 A N 1.633 124.104 122.820 -0.582 0.000 2.072 529 A HA 0.137 4.457 4.320 -0.001 0.000 0.216 529 A C 1.244 178.710 177.584 -0.197 0.000 1.156 529 A CA 1.132 52.857 52.037 -0.520 0.000 0.701 529 A CB -0.924 17.500 19.000 -0.960 0.000 0.816 529 A HN 0.129 nan 8.150 nan 0.000 0.458 530 V N -1.884 117.930 119.914 -0.166 0.000 2.743 530 V HA 0.371 4.490 4.120 -0.001 0.000 0.301 530 V C 0.961 177.026 176.094 -0.049 0.000 1.057 530 V CA -0.203 62.034 62.300 -0.106 0.000 1.006 530 V CB 1.429 33.182 31.823 -0.116 0.000 1.024 530 V HN 0.541 nan 8.190 nan 0.000 0.473 531 K N 1.254 121.629 120.400 -0.041 0.000 2.116 531 K HA 0.070 4.389 4.320 -0.001 0.000 0.203 531 K C 0.647 177.228 176.600 -0.032 0.000 1.052 531 K CA 0.969 57.242 56.287 -0.023 0.000 0.952 531 K CB -0.300 32.188 32.500 -0.019 0.000 0.729 531 K HN 0.641 nan 8.250 nan 0.000 0.446 532 T N 2.738 117.266 114.554 -0.043 0.000 3.005 532 T HA 0.236 4.585 4.350 -0.001 0.000 0.323 532 T C -0.696 173.971 174.700 -0.054 0.000 1.131 532 T CA -0.572 61.501 62.100 -0.045 0.000 0.977 532 T CB 0.776 69.617 68.868 -0.045 0.000 1.055 532 T HN 0.025 nan 8.240 nan 0.000 0.562 533 K N 2.184 122.553 120.400 -0.051 0.000 2.469 533 K HA 0.281 4.600 4.320 -0.001 0.000 0.274 533 K C 0.128 176.684 176.600 -0.072 0.000 0.983 533 K CA -0.307 55.944 56.287 -0.058 0.000 0.974 533 K CB 0.177 32.651 32.500 -0.044 0.000 0.913 533 K HN 0.287 nan 8.250 nan 0.000 0.493 534 L N 2.693 123.856 121.223 -0.100 0.000 2.439 534 L HA 0.176 4.515 4.340 -0.001 0.000 0.259 534 L C 1.651 178.449 176.870 -0.120 0.000 1.129 534 L CA 0.182 54.950 54.840 -0.120 0.000 0.803 534 L CB 0.741 42.697 42.059 -0.172 0.000 1.161 534 L HN 0.722 nan 8.230 nan 0.000 0.462 535 K N 1.108 121.441 120.400 -0.111 0.000 2.001 535 K HA -0.124 4.195 4.320 -0.001 0.000 0.214 535 K C -0.366 176.171 176.600 -0.105 0.000 1.050 535 K CA 0.637 56.873 56.287 -0.085 0.000 0.934 535 K CB -0.456 32.006 32.500 -0.064 0.000 0.718 535 K HN 0.206 nan 8.250 nan 0.000 0.443 536 L N 1.662 122.763 121.223 -0.203 0.000 2.768 536 L HA -0.163 4.177 4.340 -0.001 0.000 0.566 536 L C -0.369 176.497 176.870 -0.007 0.000 1.001 536 L CA 1.459 56.135 54.840 -0.273 0.000 1.287 536 L CB -1.710 40.217 42.059 -0.220 0.000 1.674 536 L HN 0.886 nan 8.230 nan 0.000 0.827 537 T N 1.304 115.931 114.554 0.122 0.000 2.812 537 T HA 0.904 5.254 4.350 -0.001 0.000 0.294 537 T C -2.672 172.179 174.700 0.252 0.000 1.159 537 T CA -1.987 60.211 62.100 0.164 0.000 1.008 537 T CB 2.295 71.218 68.868 0.092 0.000 1.289 537 T HN 0.227 nan 8.240 nan 0.000 0.514 538 P HA 0.309 nan 4.420 nan 0.000 0.272 538 P C -0.787 176.547 177.300 0.056 0.000 1.239 538 P CA -0.149 63.011 63.100 0.099 0.000 0.807 538 P CB 0.238 31.974 31.700 0.059 0.000 0.951 539 I N 0.309 120.870 120.570 -0.016 0.000 2.534 539 I HA 0.213 4.383 4.170 -0.001 0.000 0.288 539 I C -1.709 174.382 176.117 -0.043 0.000 1.077 539 I CA -2.072 59.191 61.300 -0.063 0.000 1.051 539 I CB 2.144 40.029 38.000 -0.191 0.000 1.234 539 I HN 0.241 nan 8.210 nan 0.000 0.425 540 P HA -0.234 nan 4.420 nan 0.000 0.211 540 P C 1.554 178.836 177.300 -0.029 0.000 1.181 540 P CA 1.608 64.696 63.100 -0.020 0.000 0.929 540 P CB 0.215 31.909 31.700 -0.011 0.000 0.789 541 A N -0.459 122.342 122.820 -0.033 0.000 2.084 541 A HA -0.198 4.121 4.320 -0.001 0.000 0.221 541 A C 2.239 179.795 177.584 -0.046 0.000 1.161 541 A CA 2.120 54.137 52.037 -0.033 0.000 0.653 541 A CB -1.593 17.390 19.000 -0.029 0.000 0.802 541 A HN 0.226 nan 8.150 nan 0.000 0.457 542 A N 0.722 123.508 122.820 -0.058 0.000 1.869 542 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 542 A C 2.526 180.066 177.584 -0.074 0.000 1.203 542 A CA 2.954 54.949 52.037 -0.070 0.000 0.638 542 A CB -1.384 17.577 19.000 -0.065 0.000 0.831 542 A HN 1.275 nan 8.150 nan 0.000 0.450 543 S N -0.605 115.061 115.700 -0.058 0.000 2.440 543 S HA -0.267 4.202 4.470 -0.001 0.000 0.238 543 S C 1.831 176.397 174.600 -0.057 0.000 1.010 543 S CA 1.557 59.724 58.200 -0.056 0.000 0.972 543 S CB -0.578 62.599 63.200 -0.038 0.000 0.774 543 S HN 0.697 nan 8.310 nan 0.000 0.501 544 Q N 0.502 120.272 119.800 -0.051 0.000 2.119 544 Q HA 0.146 4.486 4.340 -0.001 0.000 0.201 544 Q C 0.295 176.261 176.000 -0.056 0.000 0.972 544 Q CA 0.496 56.273 55.803 -0.043 0.000 0.847 544 Q CB -0.364 28.357 28.738 -0.030 0.000 0.903 544 Q HN 0.565 nan 8.270 nan 0.000 0.433 545 L N 2.541 123.715 121.223 -0.082 0.000 2.584 545 L HA -0.043 4.296 4.340 -0.001 0.000 0.272 545 L C 0.386 177.166 176.870 -0.149 0.000 1.195 545 L CA -0.097 54.673 54.840 -0.116 0.000 0.920 545 L CB 0.112 42.068 42.059 -0.172 0.000 1.173 545 L HN 0.078 nan 8.230 nan 0.000 0.489 546 D N 4.798 125.129 120.400 -0.115 0.000 2.483 546 D HA 0.075 4.715 4.640 -0.001 0.000 0.220 546 D C 0.357 176.542 176.300 -0.192 0.000 1.173 546 D CA -0.438 53.498 54.000 -0.107 0.000 0.964 546 D CB 0.946 41.727 40.800 -0.031 0.000 1.046 546 D HN 0.303 nan 8.370 nan 0.000 0.517 547 L N 2.878 123.891 121.223 -0.350 0.000 2.645 547 L HA 0.038 4.378 4.340 -0.001 0.000 0.234 547 L C 0.979 177.684 176.870 -0.276 0.000 1.165 547 L CA 0.085 54.524 54.840 -0.668 0.000 0.944 547 L CB -0.918 40.648 42.059 -0.822 0.000 1.149 547 L HN 0.255 nan 8.230 nan 0.000 0.446 548 S N -1.024 114.625 115.700 -0.085 0.000 2.505 548 S HA 0.549 5.018 4.470 -0.001 0.000 0.276 548 S C 1.234 175.887 174.600 0.088 0.000 1.274 548 S CA 0.072 58.281 58.200 0.015 0.000 1.053 548 S CB 1.134 64.344 63.200 0.017 0.000 0.919 548 S HN 0.532 nan 8.310 nan 0.000 0.490 549 G N 2.814 111.680 108.800 0.110 0.000 2.218 549 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.216 549 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.216 549 G C 0.518 175.479 174.900 0.101 0.000 0.994 549 G CA 0.078 45.227 45.100 0.081 0.000 0.637 549 G HN 0.649 nan 8.290 nan 0.000 0.505 550 W N 0.478 121.634 121.300 -0.239 0.000 2.355 550 W HA 0.392 5.051 4.660 -0.001 0.000 0.309 550 W C 1.228 177.304 176.519 -0.738 0.000 1.206 550 W CA 1.522 58.502 57.345 -0.608 0.000 1.284 550 W CB -0.378 28.538 29.460 -0.907 0.000 1.145 550 W HN 0.198 nan 8.180 nan 0.000 0.502 551 F N -0.753 119.345 119.950 0.248 0.000 2.530 551 F HA 0.308 4.834 4.527 -0.001 0.000 0.318 551 F C 0.560 176.478 175.800 0.196 0.000 1.356 551 F CA -0.463 57.684 58.000 0.245 0.000 1.135 551 F CB -0.130 38.983 39.000 0.188 0.000 1.315 551 F HN -0.389 nan 8.300 nan 0.000 0.549 552 V N -0.012 120.081 119.914 0.298 0.000 2.911 552 V HA 0.588 4.707 4.120 -0.001 0.000 0.237 552 V C 0.889 177.108 176.094 0.210 0.000 1.156 552 V CA 0.665 63.093 62.300 0.213 0.000 1.180 552 V CB 0.487 32.419 31.823 0.181 0.000 0.932 552 V HN 0.400 nan 8.190 nan 0.000 0.483 553 A N -0.700 122.202 122.820 0.135 0.000 2.594 553 A HA 0.783 5.102 4.320 -0.001 0.000 0.291 553 A C -0.233 176.979 177.584 -0.620 0.000 1.105 553 A CA 0.082 52.054 52.037 -0.108 0.000 0.694 553 A CB 1.160 19.966 19.000 -0.324 0.000 1.291 553 A HN 0.384 nan 8.150 nan 0.000 0.410 554 G N -1.259 106.923 108.800 -1.031 0.000 2.400 554 G HA2 0.533 4.492 3.960 -0.001 0.000 0.301 554 G HA3 0.533 4.492 3.960 -0.001 0.000 0.301 554 G C -0.845 173.365 174.900 -1.149 0.000 1.154 554 G CA -0.057 43.993 45.100 -1.750 0.000 0.852 554 G HN 0.611 nan 8.290 nan 0.000 0.511 555 Y N 0.573 120.660 120.300 -0.354 0.000 2.809 555 Y HA 0.291 4.841 4.550 -0.001 0.000 0.251 555 Y C 1.313 177.156 175.900 -0.095 0.000 1.136 555 Y CA -0.840 57.176 58.100 -0.141 0.000 1.185 555 Y CB 0.345 38.779 38.460 -0.045 0.000 1.260 555 Y HN 0.512 nan 8.280 nan 0.000 0.576 556 S N 0.806 116.491 115.700 -0.025 0.000 2.626 556 S HA 0.273 4.743 4.470 -0.001 0.000 0.303 556 S C 1.514 176.148 174.600 0.057 0.000 1.256 556 S CA 1.577 59.793 58.200 0.028 0.000 1.069 556 S CB -0.014 63.204 63.200 0.030 0.000 0.807 556 S HN 1.080 nan 8.310 nan 0.000 0.500 557 G N 3.571 112.406 108.800 0.058 0.000 2.189 557 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.267 557 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.267 557 G C 0.851 175.794 174.900 0.072 0.000 0.975 557 G CA 0.518 45.655 45.100 0.063 0.000 0.644 557 G HN 1.363 nan 8.290 nan 0.000 0.537 558 G N -0.150 108.703 108.800 0.088 0.000 2.920 558 G HA2 0.358 4.317 3.960 -0.001 0.000 0.208 558 G HA3 0.358 4.317 3.960 -0.001 0.000 0.208 558 G C 0.528 175.464 174.900 0.060 0.000 1.159 558 G CA 1.126 46.293 45.100 0.112 0.000 0.784 558 G HN 1.218 nan 8.290 nan 0.000 0.535 559 D N -0.526 119.880 120.400 0.010 0.000 2.689 559 D HA -0.168 4.472 4.640 -0.001 0.000 0.237 559 D C -0.076 176.177 176.300 -0.079 0.000 1.148 559 D CA 0.355 54.332 54.000 -0.038 0.000 0.656 559 D CB -1.122 39.662 40.800 -0.027 0.000 1.050 559 D HN 0.108 nan 8.370 nan 0.000 0.426 560 I N 1.291 121.791 120.570 -0.117 0.000 2.377 560 I HA 0.395 4.564 4.170 -0.001 0.000 0.293 560 I C 0.034 175.972 176.117 -0.298 0.000 0.987 560 I CA -0.744 60.391 61.300 -0.276 0.000 1.185 560 I CB 1.124 38.854 38.000 -0.450 0.000 1.341 560 I HN 0.116 nan 8.210 nan 0.000 0.455 561 Y N 5.725 125.691 120.300 -0.556 0.000 2.477 561 Y HA 0.555 5.104 4.550 -0.001 0.000 0.347 561 Y C -1.183 174.268 175.900 -0.749 0.000 0.981 561 Y CA -0.592 57.190 58.100 -0.529 0.000 1.033 561 Y CB 1.594 39.856 38.460 -0.329 0.000 1.245 561 Y HN 0.603 nan 8.280 nan 0.000 0.455 562 H N 2.263 120.603 119.070 -1.217 0.000 2.679 562 H HA 0.454 5.010 4.556 -0.001 0.000 0.360 562 H C -0.168 174.581 175.328 -0.965 0.000 1.105 562 H CA -0.201 55.311 56.048 -0.892 0.000 1.196 562 H CB 1.784 31.062 29.762 -0.808 0.000 1.636 562 H HN 0.872 nan 8.280 nan 0.000 0.531 563 S N 0.000 115.507 115.700 -0.321 0.000 2.498 563 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 563 S CA 0.000 58.129 58.200 -0.119 0.000 1.107 563 S CB 0.000 63.213 63.200 0.021 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517