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 1zyq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKVGGXXXX DATA SEQUENCE XXXXXXXXXX XXXXLDTREY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAGDEAIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVESSQWV AGEQQVKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.386 176.300 0.143 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 2 I N 1.731 122.340 120.570 0.065 0.000 2.785 2 I HA 0.890 5.059 4.170 -0.002 0.000 0.302 2 I C -1.455 174.685 176.117 0.039 0.000 1.069 2 I CA -1.008 60.319 61.300 0.045 0.000 1.045 2 I CB 2.302 40.272 38.000 -0.050 0.000 1.236 2 I HN 0.423 nan 8.210 nan 0.000 0.429 3 V N 3.157 123.118 119.914 0.078 0.000 2.555 3 V HA 0.665 4.783 4.120 -0.002 0.000 0.302 3 V C -0.045 176.055 176.094 0.010 0.000 1.038 3 V CA -0.277 62.049 62.300 0.044 0.000 0.887 3 V CB 1.464 33.355 31.823 0.114 0.000 0.991 3 V HN 0.891 nan 8.190 nan 0.000 0.434 4 S N 2.187 117.820 115.700 -0.112 0.000 2.618 4 S HA 0.758 5.227 4.470 -0.002 0.000 0.277 4 S C -1.964 172.823 174.600 0.311 0.000 1.138 4 S CA -0.506 57.708 58.200 0.024 0.000 0.844 4 S CB 2.063 65.162 63.200 -0.167 0.000 1.127 4 S HN 0.972 nan 8.310 nan 0.000 0.474 5 D N 0.534 121.234 120.400 0.500 0.000 2.803 5 D HA 0.543 5.182 4.640 -0.002 0.000 0.218 5 D C -1.142 175.387 176.300 0.382 0.000 1.245 5 D CA -0.478 53.830 54.000 0.513 0.000 0.821 5 D CB 1.259 42.262 40.800 0.339 0.000 1.626 5 D HN 0.677 nan 8.370 nan 0.000 0.487 6 I N -0.991 119.759 120.570 0.300 0.000 2.892 6 I HA 0.754 4.923 4.170 -0.002 0.000 0.306 6 I C -1.079 175.083 176.117 0.075 0.000 1.078 6 I CA -0.680 60.694 61.300 0.123 0.000 1.032 6 I CB 2.340 40.418 38.000 0.130 0.000 1.229 6 I HN 0.061 nan 8.210 nan 0.000 0.435 7 E N 3.548 123.715 120.200 -0.054 0.000 2.176 7 E HA 0.741 5.090 4.350 -0.002 0.000 0.267 7 E C -0.893 175.656 176.600 -0.084 0.000 0.893 7 E CA -0.679 55.736 56.400 0.025 0.000 0.761 7 E CB 2.132 31.918 29.700 0.144 0.000 1.133 7 E HN 0.870 nan 8.360 nan 0.000 0.409 8 A N 2.455 125.238 122.820 -0.062 0.000 2.437 8 A HA 0.427 4.746 4.320 -0.002 0.000 0.288 8 A C 0.553 178.024 177.584 -0.189 0.000 1.201 8 A CA -0.677 51.220 52.037 -0.234 0.000 0.795 8 A CB 0.790 19.729 19.000 -0.102 0.000 1.359 8 A HN 0.579 nan 8.150 nan 0.000 0.435 9 N N -0.243 118.267 118.700 -0.317 0.000 2.398 9 N HA 0.398 5.136 4.740 -0.002 0.000 0.188 9 N C 0.014 175.548 175.510 0.040 0.000 1.122 9 N CA 0.967 54.038 53.050 0.036 0.000 0.866 9 N CB 0.258 38.758 38.487 0.021 0.000 0.970 9 N HN 1.270 nan 8.380 nan 0.000 0.462 10 A N -0.534 122.223 122.820 -0.105 0.000 2.456 10 A HA 0.448 4.767 4.320 -0.002 0.000 0.294 10 A C -1.178 176.339 177.584 -0.112 0.000 1.057 10 A CA -0.894 51.074 52.037 -0.116 0.000 0.623 10 A CB -0.076 18.909 19.000 -0.026 0.000 1.338 10 A HN 0.073 nan 8.150 nan 0.000 0.464 11 L N 0.902 122.060 121.223 -0.109 0.000 2.476 11 L HA 0.138 4.477 4.340 -0.002 0.000 0.264 11 L C 1.903 178.819 176.870 0.077 0.000 1.224 11 L CA -0.401 54.411 54.840 -0.045 0.000 0.821 11 L CB 0.156 42.164 42.059 -0.085 0.000 1.101 11 L HN 0.909 nan 8.230 nan 0.000 0.488 12 L N 1.580 122.911 121.223 0.179 0.000 2.034 12 L HA -0.271 4.067 4.340 -0.002 0.000 0.217 12 L C 2.284 179.137 176.870 -0.029 0.000 1.077 12 L CA 1.962 56.833 54.840 0.052 0.000 0.769 12 L CB -0.562 41.515 42.059 0.030 0.000 0.890 12 L HN 0.645 nan 8.230 nan 0.000 0.435 13 E N -0.240 119.934 120.200 -0.043 0.000 2.147 13 E HA -0.195 4.153 4.350 -0.002 0.000 0.199 13 E C 1.652 178.213 176.600 -0.065 0.000 1.005 13 E CA 1.690 58.041 56.400 -0.082 0.000 0.810 13 E CB -0.356 29.288 29.700 -0.094 0.000 0.736 13 E HN 0.731 nan 8.360 nan 0.000 0.460 14 S N -1.220 114.451 115.700 -0.047 0.000 3.031 14 S HA 0.218 4.687 4.470 -0.002 0.000 0.253 14 S C 0.103 174.679 174.600 -0.041 0.000 0.996 14 S CA -0.549 57.624 58.200 -0.044 0.000 1.098 14 S CB -0.008 63.168 63.200 -0.039 0.000 1.042 14 S HN 0.087 nan 8.310 nan 0.000 0.593 15 V N 3.248 123.136 119.914 -0.042 0.000 2.763 15 V HA 0.449 4.568 4.120 -0.002 0.000 0.306 15 V C 1.065 177.117 176.094 -0.069 0.000 1.059 15 V CA 1.619 63.886 62.300 -0.055 0.000 1.138 15 V CB 1.256 33.043 31.823 -0.060 0.000 0.940 15 V HN 0.794 nan 8.190 nan 0.000 0.489 16 T N 1.727 116.232 114.554 -0.081 0.000 3.186 16 T HA 0.385 4.734 4.350 -0.002 0.000 0.292 16 T C -0.055 174.585 174.700 -0.100 0.000 0.915 16 T CA -0.294 61.762 62.100 -0.075 0.000 0.902 16 T CB 0.059 68.897 68.868 -0.050 0.000 1.192 16 T HN 0.562 nan 8.240 nan 0.000 0.563 17 K N 0.941 121.243 120.400 -0.162 0.000 2.543 17 K HA 0.605 4.924 4.320 -0.002 0.000 0.255 17 K C -2.092 174.292 176.600 -0.361 0.000 0.934 17 K CA -0.949 55.211 56.287 -0.212 0.000 0.810 17 K CB 1.783 34.199 32.500 -0.139 0.000 1.315 17 K HN 0.186 nan 8.250 nan 0.000 0.433 18 F N 4.997 124.613 119.950 -0.557 0.000 2.424 18 F HA 0.322 4.848 4.527 -0.002 0.000 0.356 18 F C 0.618 176.206 175.800 -0.354 0.000 1.110 18 F CA 0.164 57.788 58.000 -0.627 0.000 1.161 18 F CB 0.618 38.884 39.000 -1.223 0.000 1.115 18 F HN 0.710 nan 8.300 nan 0.000 0.507 19 H N 4.971 123.604 119.070 -0.727 0.000 2.300 19 H HA 0.179 4.734 4.556 -0.002 0.000 0.312 19 H C 0.541 175.376 175.328 -0.823 0.000 1.057 19 H CA 1.225 56.997 56.048 -0.461 0.000 1.380 19 H CB -0.130 29.599 29.762 -0.056 0.000 1.424 19 H HN 0.661 nan 8.280 nan 0.000 0.534 20 C N -1.616 117.176 119.300 -0.847 0.000 3.332 20 C HA 0.894 5.353 4.460 -0.002 0.000 0.329 20 C C 0.295 174.956 174.990 -0.548 0.000 1.434 20 C CA -0.397 58.245 59.018 -0.627 0.000 1.314 20 C CB 1.664 29.352 27.740 -0.087 0.000 1.664 20 C HN 0.624 nan 8.230 nan 0.000 0.457 21 G N -0.362 108.391 108.800 -0.079 0.000 2.720 21 G HA2 0.687 4.646 3.960 -0.002 0.000 0.295 21 G HA3 0.687 4.646 3.960 -0.002 0.000 0.295 21 G C -1.985 173.082 174.900 0.279 0.000 1.437 21 G CA -0.468 44.605 45.100 -0.047 0.000 0.886 21 G HN 1.294 nan 8.290 nan 0.000 0.509 22 V N 1.365 121.481 119.914 0.337 0.000 2.789 22 V HA 0.655 4.773 4.120 -0.002 0.000 0.311 22 V C -0.462 175.910 176.094 0.462 0.000 1.073 22 V CA -0.666 61.895 62.300 0.436 0.000 0.921 22 V CB 1.914 33.938 31.823 0.335 0.000 1.009 22 V HN 0.688 nan 8.190 nan 0.000 0.426 23 I N 3.568 124.419 120.570 0.467 0.000 2.533 23 I HA 0.422 4.591 4.170 -0.002 0.000 0.290 23 I C -1.667 174.568 176.117 0.198 0.000 1.056 23 I CA -0.742 60.745 61.300 0.312 0.000 1.057 23 I CB 2.252 40.416 38.000 0.275 0.000 1.240 23 I HN 0.686 nan 8.210 nan 0.000 0.423 24 Y N 5.740 126.000 120.300 -0.066 0.000 2.328 24 Y HA 0.412 4.961 4.550 -0.002 0.000 0.337 24 Y C -0.804 174.931 175.900 -0.275 0.000 0.966 24 Y CA -0.573 57.316 58.100 -0.352 0.000 1.136 24 Y CB 1.135 39.234 38.460 -0.601 0.000 1.170 24 Y HN 0.442 nan 8.280 nan 0.000 0.470 25 D N 4.944 124.821 120.400 -0.872 0.000 2.349 25 D HA 0.078 4.717 4.640 -0.002 0.000 0.232 25 D C 0.204 176.019 176.300 -0.809 0.000 1.071 25 D CA -0.107 53.547 54.000 -0.576 0.000 0.832 25 D CB 0.723 41.335 40.800 -0.313 0.000 1.086 25 D HN 0.729 nan 8.370 nan 0.000 0.504 26 Y N 1.809 121.848 120.300 -0.435 0.000 2.315 26 Y HA -0.188 4.361 4.550 -0.002 0.000 0.288 26 Y C 2.567 178.351 175.900 -0.193 0.000 1.154 26 Y CA 1.223 59.188 58.100 -0.225 0.000 1.229 26 Y CB 0.043 38.485 38.460 -0.029 0.000 0.980 26 Y HN 0.369 nan 8.280 nan 0.000 0.540 27 S N -1.197 114.469 115.700 -0.057 0.000 2.423 27 S HA -0.133 4.336 4.470 -0.002 0.000 0.231 27 S C 1.986 176.529 174.600 -0.094 0.000 1.014 27 S CA 1.696 59.865 58.200 -0.051 0.000 0.965 27 S CB -0.327 62.844 63.200 -0.048 0.000 0.785 27 S HN 0.652 nan 8.310 nan 0.000 0.495 28 T N -2.833 111.612 114.554 -0.182 0.000 2.975 28 T HA 0.590 4.939 4.350 -0.002 0.000 0.257 28 T C 0.966 175.540 174.700 -0.210 0.000 1.003 28 T CA 0.879 62.882 62.100 -0.163 0.000 0.932 28 T CB 0.064 68.839 68.868 -0.156 0.000 1.087 28 T HN 0.891 nan 8.240 nan 0.000 0.512 29 A N 0.632 123.223 122.820 -0.382 0.000 2.826 29 A HA -0.176 4.143 4.320 -0.002 0.000 0.274 29 A C 0.096 177.506 177.584 -0.290 0.000 1.443 29 A CA 1.378 53.189 52.037 -0.375 0.000 0.833 29 A CB -2.401 16.563 19.000 -0.060 0.000 1.023 29 A HN 0.763 nan 8.150 nan 0.000 0.600 30 E N -1.924 118.018 120.200 -0.430 0.000 2.263 30 E HA 0.652 5.001 4.350 -0.002 0.000 0.264 30 E C -1.017 175.451 176.600 -0.220 0.000 0.923 30 E CA -0.834 55.466 56.400 -0.166 0.000 0.802 30 E CB 1.075 30.734 29.700 -0.069 0.000 1.228 30 E HN 0.386 nan 8.360 nan 0.000 0.417 31 Y N 0.141 120.487 120.300 0.077 0.000 2.342 31 Y HA 0.402 4.950 4.550 -0.002 0.000 0.334 31 Y C -0.221 175.723 175.900 0.072 0.000 1.067 31 Y CA -0.688 57.489 58.100 0.128 0.000 1.128 31 Y CB 1.486 40.036 38.460 0.149 0.000 1.200 31 Y HN 0.128 nan 8.280 nan 0.000 0.464 32 V N 2.801 122.864 119.914 0.248 0.000 2.531 32 V HA 0.406 4.525 4.120 -0.002 0.000 0.301 32 V C -0.503 175.696 176.094 0.175 0.000 1.034 32 V CA -0.894 61.479 62.300 0.121 0.000 0.865 32 V CB 1.731 33.594 31.823 0.066 0.000 0.995 32 V HN 0.818 nan 8.190 nan 0.000 0.424 33 S N 3.593 119.311 115.700 0.029 0.000 2.617 33 S HA 0.798 5.267 4.470 -0.002 0.000 0.283 33 S C -1.260 173.299 174.600 -0.069 0.000 1.189 33 S CA -0.389 57.882 58.200 0.119 0.000 1.036 33 S CB 0.979 64.237 63.200 0.098 0.000 1.014 33 S HN 0.562 nan 8.310 nan 0.000 0.522 34 Y N 0.642 121.030 120.300 0.145 0.000 2.354 34 Y HA 0.443 4.992 4.550 -0.002 0.000 0.330 34 Y C 0.420 176.362 175.900 0.071 0.000 1.011 34 Y CA -0.830 57.364 58.100 0.157 0.000 1.099 34 Y CB 1.247 39.876 38.460 0.282 0.000 1.179 34 Y HN 0.468 nan 8.280 nan 0.000 0.442 35 R N 3.189 123.751 120.500 0.103 0.000 2.608 35 R HA 0.370 4.708 4.340 -0.002 0.000 0.255 35 R C -1.789 174.495 176.300 -0.027 0.000 1.086 35 R CA -1.911 54.062 56.100 -0.211 0.000 1.125 35 R CB 0.345 30.463 30.300 -0.303 0.000 1.193 35 R HN 0.301 nan 8.270 nan 0.000 0.553 36 P HA -0.310 nan 4.420 nan 0.000 0.219 36 P C 1.186 178.589 177.300 0.171 0.000 1.158 36 P CA 1.751 64.886 63.100 0.058 0.000 0.895 36 P CB 0.064 31.740 31.700 -0.040 0.000 0.792 37 S N -1.654 114.100 115.700 0.089 0.000 2.547 37 S HA -0.105 4.364 4.470 -0.002 0.000 0.235 37 S C 1.039 175.720 174.600 0.135 0.000 0.980 37 S CA 0.905 59.166 58.200 0.101 0.000 0.941 37 S CB -0.949 62.287 63.200 0.060 0.000 0.763 37 S HN 0.071 nan 8.310 nan 0.000 0.532 38 D N 0.400 120.921 120.400 0.202 0.000 2.368 38 D HA 0.119 4.757 4.640 -0.002 0.000 0.218 38 D C 0.932 177.377 176.300 0.241 0.000 1.112 38 D CA -0.175 53.975 54.000 0.250 0.000 0.834 38 D CB -0.129 40.881 40.800 0.349 0.000 0.953 38 D HN 0.361 nan 8.370 nan 0.000 0.505 39 F N 2.638 122.531 119.950 -0.095 0.000 2.065 39 F HA -0.135 4.391 4.527 -0.002 0.000 0.298 39 F C 2.261 177.853 175.800 -0.346 0.000 1.112 39 F CA 1.793 59.475 58.000 -0.530 0.000 1.212 39 F CB -0.706 37.961 39.000 -0.555 0.000 0.975 39 F HN 0.047 nan 8.300 nan 0.000 0.476 40 G N -0.663 107.961 108.800 -0.293 0.000 2.442 40 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.219 40 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.219 40 G C 1.809 176.562 174.900 -0.246 0.000 1.141 40 G CA 0.975 45.855 45.100 -0.366 0.000 0.763 40 G HN 0.647 nan 8.290 nan 0.000 0.554 41 A N -0.241 122.540 122.820 -0.066 0.000 1.929 41 A HA 0.071 4.390 4.320 -0.002 0.000 0.216 41 A C 2.152 179.735 177.584 -0.002 0.000 1.176 41 A CA 1.543 53.610 52.037 0.050 0.000 0.628 41 A CB -0.549 18.584 19.000 0.223 0.000 0.816 41 A HN 0.476 nan 8.150 nan 0.000 0.444 42 Y N 0.659 120.781 120.300 -0.297 0.000 2.145 42 Y HA -0.143 4.406 4.550 -0.002 0.000 0.286 42 Y C 1.892 177.504 175.900 -0.481 0.000 1.145 42 Y CA 1.790 59.456 58.100 -0.723 0.000 1.148 42 Y CB -0.357 37.709 38.460 -0.658 0.000 0.981 42 Y HN 0.195 nan 8.280 nan 0.000 0.507 43 L N -0.014 120.864 121.223 -0.575 0.000 2.079 43 L HA -0.241 4.098 4.340 -0.002 0.000 0.210 43 L C 2.116 178.758 176.870 -0.381 0.000 1.081 43 L CA 1.530 55.944 54.840 -0.710 0.000 0.752 43 L CB -0.651 40.791 42.059 -1.029 0.000 0.896 43 L HN 0.250 nan 8.230 nan 0.000 0.433 44 D N 0.274 120.506 120.400 -0.280 0.000 2.097 44 D HA -0.170 4.469 4.640 -0.002 0.000 0.195 44 D C 2.251 178.479 176.300 -0.121 0.000 0.989 44 D CA 1.544 55.459 54.000 -0.140 0.000 0.827 44 D CB -0.097 40.647 40.800 -0.093 0.000 0.966 44 D HN 0.301 nan 8.370 nan 0.000 0.456 45 A N 1.050 123.773 122.820 -0.162 0.000 1.892 45 A HA -0.192 4.127 4.320 -0.002 0.000 0.218 45 A C 2.449 179.937 177.584 -0.159 0.000 1.188 45 A CA 1.216 53.172 52.037 -0.134 0.000 0.631 45 A CB -0.908 18.008 19.000 -0.141 0.000 0.822 45 A HN 0.229 nan 8.150 nan 0.000 0.447 46 L N -1.007 120.069 121.223 -0.245 0.000 2.017 46 L HA -0.210 4.128 4.340 -0.002 0.000 0.208 46 L C 2.611 179.463 176.870 -0.029 0.000 1.073 46 L CA 1.797 56.556 54.840 -0.135 0.000 0.745 46 L CB -0.675 41.340 42.059 -0.073 0.000 0.894 46 L HN 0.495 nan 8.230 nan 0.000 0.432 47 E N 0.037 120.248 120.200 0.017 0.000 2.204 47 E HA -0.173 4.176 4.350 -0.002 0.000 0.194 47 E C 2.259 178.847 176.600 -0.020 0.000 0.989 47 E CA 0.921 57.330 56.400 0.013 0.000 0.824 47 E CB -0.090 29.640 29.700 0.050 0.000 0.756 47 E HN 0.488 nan 8.360 nan 0.000 0.477 48 A N 1.445 124.246 122.820 -0.031 0.000 1.902 48 A HA -0.233 4.085 4.320 -0.002 0.000 0.217 48 A C 2.077 179.645 177.584 -0.026 0.000 1.181 48 A CA 1.657 53.678 52.037 -0.027 0.000 0.623 48 A CB -0.320 18.663 19.000 -0.029 0.000 0.818 48 A HN 0.131 nan 8.150 nan 0.000 0.443 49 E N -0.081 120.097 120.200 -0.037 0.000 2.150 49 E HA -0.091 4.258 4.350 -0.002 0.000 0.193 49 E C 1.674 178.262 176.600 -0.021 0.000 0.985 49 E CA 1.420 57.801 56.400 -0.033 0.000 0.814 49 E CB -0.290 29.380 29.700 -0.050 0.000 0.752 49 E HN 0.268 nan 8.360 nan 0.000 0.466 50 V N 0.504 120.400 119.914 -0.031 0.000 2.591 50 V HA -0.090 4.029 4.120 -0.002 0.000 0.249 50 V C 2.286 178.372 176.094 -0.013 0.000 1.053 50 V CA 1.433 63.709 62.300 -0.039 0.000 1.068 50 V CB -0.664 31.114 31.823 -0.073 0.000 0.689 50 V HN 0.419 nan 8.190 nan 0.000 0.462 51 A N 0.004 122.818 122.820 -0.011 0.000 2.067 51 A HA -0.153 4.166 4.320 -0.002 0.000 0.219 51 A C 2.261 179.854 177.584 0.016 0.000 1.158 51 A CA 1.262 53.299 52.037 -0.000 0.000 0.661 51 A CB -0.407 18.589 19.000 -0.007 0.000 0.801 51 A HN 0.507 nan 8.150 nan 0.000 0.452 52 R N -1.301 119.209 120.500 0.017 0.000 2.310 52 R HA 0.204 4.543 4.340 -0.002 0.000 0.202 52 R C 1.094 177.427 176.300 0.055 0.000 0.933 52 R CA 0.473 56.586 56.100 0.022 0.000 1.054 52 R CB -0.061 30.242 30.300 0.006 0.000 0.985 52 R HN 0.618 nan 8.270 nan 0.000 0.489 53 G N 0.628 109.492 108.800 0.107 0.000 2.198 53 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.260 53 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.260 53 G C 0.371 175.420 174.900 0.249 0.000 1.025 53 G CA 0.061 45.314 45.100 0.255 0.000 0.769 53 G HN 0.526 nan 8.290 nan 0.000 0.507 54 G N -1.342 107.528 108.800 0.117 0.000 2.510 54 G HA2 0.704 4.663 3.960 -0.002 0.000 0.280 54 G HA3 0.704 4.663 3.960 -0.002 0.000 0.280 54 G C -0.102 174.818 174.900 0.034 0.000 1.386 54 G CA -0.873 44.261 45.100 0.057 0.000 1.047 54 G HN 0.722 nan 8.290 nan 0.000 0.527 55 L N -0.507 120.693 121.223 -0.039 0.000 2.401 55 L HA 0.527 4.866 4.340 -0.002 0.000 0.266 55 L C -0.765 176.042 176.870 -0.104 0.000 0.991 55 L CA -0.623 54.152 54.840 -0.107 0.000 0.818 55 L CB 2.457 44.370 42.059 -0.242 0.000 1.321 55 L HN 0.288 nan 8.230 nan 0.000 0.413 56 I N 2.747 123.258 120.570 -0.099 0.000 2.389 56 I HA 0.401 4.570 4.170 -0.002 0.000 0.288 56 I C -0.667 175.363 176.117 -0.146 0.000 0.999 56 I CA -0.828 60.384 61.300 -0.146 0.000 1.129 56 I CB 2.162 40.085 38.000 -0.128 0.000 1.288 56 I HN 0.161 nan 8.210 nan 0.000 0.444 57 V N 6.765 126.560 119.914 -0.197 0.000 2.394 57 V HA 0.474 4.592 4.120 -0.002 0.000 0.282 57 V C -0.523 175.498 176.094 -0.121 0.000 1.031 57 V CA -0.373 61.886 62.300 -0.069 0.000 0.881 57 V CB 1.326 33.152 31.823 0.005 0.000 0.982 57 V HN 0.388 nan 8.190 nan 0.000 0.451 58 F N 1.776 121.857 119.950 0.218 0.000 2.593 58 F HA 0.500 5.026 4.527 -0.002 0.000 0.320 58 F C -0.072 175.875 175.800 0.246 0.000 1.060 58 F CA -0.980 57.166 58.000 0.243 0.000 0.940 58 F CB 1.786 40.942 39.000 0.260 0.000 1.268 58 F HN 0.533 nan 8.300 nan 0.000 0.475 59 H N 1.680 120.984 119.070 0.390 0.000 2.690 59 H HA 0.306 4.861 4.556 -0.002 0.000 0.280 59 H C 0.019 175.478 175.328 0.219 0.000 1.138 59 H CA -0.247 55.949 56.048 0.246 0.000 1.241 59 H CB 0.133 30.007 29.762 0.187 0.000 1.394 59 H HN 0.581 nan 8.280 nan 0.000 0.489 60 N N 2.352 121.044 118.700 -0.012 0.000 2.921 60 N HA -0.134 4.605 4.740 -0.002 0.000 0.248 60 N C 1.069 176.657 175.510 0.129 0.000 1.118 60 N CA 0.946 54.007 53.050 0.019 0.000 0.740 60 N CB -1.208 37.285 38.487 0.010 0.000 1.091 60 N HN 0.806 nan 8.380 nan 0.000 0.553 61 G N -1.382 107.543 108.800 0.208 0.000 2.551 61 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.216 61 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.216 61 G C 1.069 176.021 174.900 0.087 0.000 1.137 61 G CA 0.766 45.896 45.100 0.050 0.000 0.798 61 G HN 0.557 nan 8.290 nan 0.000 0.536 62 H N 0.464 119.554 119.070 0.034 0.000 2.421 62 H HA 0.107 4.662 4.556 -0.002 0.000 0.298 62 H C 2.372 177.602 175.328 -0.163 0.000 1.087 62 H CA 1.112 57.135 56.048 -0.041 0.000 1.330 62 H CB 0.294 30.106 29.762 0.083 0.000 1.388 62 H HN 0.272 nan 8.280 nan 0.000 0.526 63 K N -1.567 118.858 120.400 0.042 0.000 2.276 63 K HA 0.001 4.319 4.320 -0.002 0.000 0.198 63 K C 1.062 177.670 176.600 0.014 0.000 1.052 63 K CA 0.420 56.706 56.287 -0.002 0.000 0.984 63 K CB 0.466 32.993 32.500 0.045 0.000 0.836 63 K HN 0.243 nan 8.250 nan 0.000 0.490 64 Y N 1.671 121.902 120.300 -0.115 0.000 2.972 64 Y HA 0.006 4.555 4.550 -0.002 0.000 0.211 64 Y C 1.169 176.959 175.900 -0.182 0.000 0.969 64 Y CA 0.762 58.780 58.100 -0.137 0.000 1.574 64 Y CB -0.157 38.233 38.460 -0.116 0.000 1.364 64 Y HN -0.099 nan 8.280 nan 0.000 0.467 65 D N 0.449 120.651 120.400 -0.331 0.000 2.160 65 D HA -0.256 4.383 4.640 -0.002 0.000 0.189 65 D C 2.232 178.241 176.300 -0.486 0.000 1.003 65 D CA 2.764 56.444 54.000 -0.534 0.000 0.846 65 D CB -0.677 39.647 40.800 -0.794 0.000 0.949 65 D HN 0.239 nan 8.370 nan 0.000 0.446 66 V N 1.269 120.922 119.914 -0.436 0.000 2.255 66 V HA -0.167 3.952 4.120 -0.002 0.000 0.247 66 V C -0.718 175.249 176.094 -0.213 0.000 1.051 66 V CA 2.048 64.208 62.300 -0.234 0.000 1.018 66 V CB -1.566 30.139 31.823 -0.198 0.000 0.641 66 V HN 0.280 nan 8.190 nan 0.000 0.445 67 P HA -0.068 nan 4.420 nan 0.000 0.223 67 P C 1.447 178.610 177.300 -0.228 0.000 1.151 67 P CA 1.806 64.751 63.100 -0.258 0.000 0.787 67 P CB 0.044 31.568 31.700 -0.293 0.000 0.788 68 A N 0.359 122.970 122.820 -0.349 0.000 1.929 68 A HA -0.071 4.248 4.320 -0.002 0.000 0.216 68 A C 2.352 179.838 177.584 -0.163 0.000 1.176 68 A CA 1.007 52.820 52.037 -0.373 0.000 0.628 68 A CB -1.495 17.027 19.000 -0.797 0.000 0.816 68 A HN 0.115 nan 8.150 nan 0.000 0.444 69 L N -0.735 120.446 121.223 -0.070 0.000 2.131 69 L HA -0.146 4.193 4.340 -0.002 0.000 0.210 69 L C 2.727 179.690 176.870 0.155 0.000 1.092 69 L CA 1.603 56.512 54.840 0.114 0.000 0.759 69 L CB -0.816 41.386 42.059 0.238 0.000 0.903 69 L HN 0.321 nan 8.230 nan 0.000 0.435 70 T N -0.530 114.098 114.554 0.122 0.000 2.737 70 T HA -0.225 4.123 4.350 -0.002 0.000 0.265 70 T C 1.942 176.645 174.700 0.004 0.000 1.038 70 T CA 1.456 63.589 62.100 0.054 0.000 1.144 70 T CB -0.049 68.787 68.868 -0.053 0.000 0.866 70 T HN 0.236 nan 8.240 nan 0.000 0.434 71 K N 0.699 121.088 120.400 -0.018 0.000 2.009 71 K HA -0.030 4.289 4.320 -0.002 0.000 0.210 71 K C 2.248 178.853 176.600 0.008 0.000 1.049 71 K CA 1.244 57.518 56.287 -0.021 0.000 0.929 71 K CB -0.346 32.120 32.500 -0.057 0.000 0.714 71 K HN 0.260 nan 8.250 nan 0.000 0.440 72 L N 0.454 121.692 121.223 0.024 0.000 2.191 72 L HA -0.156 4.183 4.340 -0.002 0.000 0.212 72 L C 2.551 179.561 176.870 0.233 0.000 1.103 72 L CA 1.037 55.917 54.840 0.067 0.000 0.769 72 L CB -0.468 41.579 42.059 -0.021 0.000 0.908 72 L HN 0.323 nan 8.230 nan 0.000 0.438 73 A N 0.109 123.036 122.820 0.179 0.000 1.930 73 A HA -0.217 4.101 4.320 -0.002 0.000 0.217 73 A C 2.324 179.915 177.584 0.012 0.000 1.175 73 A CA 1.825 53.875 52.037 0.022 0.000 0.627 73 A CB -0.265 18.651 19.000 -0.139 0.000 0.815 73 A HN 0.239 nan 8.150 nan 0.000 0.443 74 K N -0.082 120.329 120.400 0.019 0.000 2.076 74 K HA 0.152 4.471 4.320 -0.002 0.000 0.204 74 K C 1.723 178.337 176.600 0.022 0.000 1.051 74 K CA 1.030 57.324 56.287 0.012 0.000 0.949 74 K CB -0.443 32.064 32.500 0.011 0.000 0.726 74 K HN 0.421 nan 8.250 nan 0.000 0.443 75 L N 0.361 121.602 121.223 0.030 0.000 2.023 75 L HA -0.131 4.208 4.340 -0.002 0.000 0.205 75 L C 2.461 179.354 176.870 0.037 0.000 1.073 75 L CA 1.437 56.291 54.840 0.024 0.000 0.745 75 L CB -0.319 41.745 42.059 0.008 0.000 0.900 75 L HN 0.298 nan 8.230 nan 0.000 0.435 76 Q N -0.643 119.202 119.800 0.076 0.000 2.331 76 Q HA 0.016 4.355 4.340 -0.002 0.000 0.203 76 Q C 1.505 177.560 176.000 0.092 0.000 0.944 76 Q CA 0.840 56.702 55.803 0.097 0.000 0.892 76 Q CB 0.469 29.299 28.738 0.153 0.000 0.983 76 Q HN 0.514 nan 8.270 nan 0.000 0.482 77 L N -1.448 119.814 121.223 0.064 0.000 3.217 77 L HA 0.242 4.580 4.340 -0.002 0.000 0.288 77 L C -0.241 176.619 176.870 -0.015 0.000 1.202 77 L CA -0.289 54.554 54.840 0.006 0.000 1.027 77 L CB 0.401 42.420 42.059 -0.066 0.000 1.427 77 L HN 0.088 nan 8.230 nan 0.000 0.600 78 N N 1.332 120.031 118.700 -0.003 0.000 2.725 78 N HA -0.206 4.533 4.740 -0.002 0.000 0.249 78 N C 0.187 175.686 175.510 -0.018 0.000 1.103 78 N CA 0.536 53.583 53.050 -0.005 0.000 0.707 78 N CB -0.488 37.998 38.487 -0.002 0.000 1.043 78 N HN 0.300 nan 8.380 nan 0.000 0.553 79 R N 0.736 121.214 120.500 -0.038 0.000 2.604 79 R HA 0.275 4.614 4.340 -0.002 0.000 0.287 79 R C -0.750 175.535 176.300 -0.026 0.000 0.970 79 R CA -0.510 55.561 56.100 -0.048 0.000 0.946 79 R CB 0.778 31.009 30.300 -0.116 0.000 1.127 79 R HN 0.046 nan 8.270 nan 0.000 0.473 80 E N 3.534 123.735 120.200 0.001 0.000 2.115 80 E HA 0.161 4.509 4.350 -0.002 0.000 0.282 80 E C -1.342 175.249 176.600 -0.014 0.000 0.987 80 E CA -0.209 56.195 56.400 0.007 0.000 0.797 80 E CB 0.965 30.719 29.700 0.090 0.000 1.086 80 E HN 0.315 nan 8.360 nan 0.000 0.397 81 F N 3.883 123.570 119.950 -0.438 0.000 2.507 81 F HA 0.301 4.827 4.527 -0.002 0.000 0.328 81 F C -0.795 174.585 175.800 -0.700 0.000 1.136 81 F CA -0.601 57.155 58.000 -0.407 0.000 0.930 81 F CB 1.002 39.822 39.000 -0.300 0.000 1.166 81 F HN 0.316 nan 8.300 nan 0.000 0.436 82 H N 7.746 126.476 119.070 -0.566 0.000 3.021 82 H HA 0.260 4.814 4.556 -0.002 0.000 0.293 82 H C -0.691 174.359 175.328 -0.463 0.000 1.244 82 H CA -0.542 55.264 56.048 -0.403 0.000 1.596 82 H CB 1.480 31.133 29.762 -0.182 0.000 1.720 82 H HN 0.533 nan 8.280 nan 0.000 0.537 83 L N 4.323 125.289 121.223 -0.429 0.000 2.499 83 L HA 0.118 4.456 4.340 -0.002 0.000 0.273 83 L C -1.846 175.009 176.870 -0.025 0.000 1.195 83 L CA -1.396 53.307 54.840 -0.228 0.000 0.882 83 L CB 0.307 42.328 42.059 -0.063 0.000 1.133 83 L HN 0.220 nan 8.230 nan 0.000 0.483 84 P HA 0.124 nan 4.420 nan 0.000 0.281 84 P C 0.237 177.244 177.300 -0.488 0.000 1.252 84 P CA -0.525 62.418 63.100 -0.261 0.000 0.778 84 P CB 0.769 32.302 31.700 -0.278 0.000 0.895 85 R N 4.119 123.997 120.500 -1.037 0.000 2.119 85 R HA -0.220 4.119 4.340 -0.002 0.000 0.246 85 R C 1.439 177.310 176.300 -0.715 0.000 1.146 85 R CA 1.978 57.038 56.100 -1.733 0.000 0.962 85 R CB -0.248 28.731 30.300 -2.203 0.000 0.863 85 R HN 0.592 nan 8.270 nan 0.000 0.442 86 E N -0.334 119.560 120.200 -0.510 0.000 2.472 86 E HA -0.156 4.193 4.350 -0.002 0.000 0.200 86 E C 0.355 176.918 176.600 -0.061 0.000 1.046 86 E CA 1.216 57.483 56.400 -0.223 0.000 0.871 86 E CB -0.290 29.234 29.700 -0.294 0.000 0.806 86 E HN 0.480 nan 8.360 nan 0.000 0.533 87 N N -0.338 118.243 118.700 -0.200 0.000 2.236 87 N HA 0.100 4.839 4.740 -0.002 0.000 0.196 87 N C -0.651 174.873 175.510 0.023 0.000 1.114 87 N CA -0.005 52.965 53.050 -0.132 0.000 0.859 87 N CB 0.645 39.014 38.487 -0.196 0.000 0.982 87 N HN 0.097 nan 8.380 nan 0.000 0.493 88 C N 0.953 120.342 119.300 0.149 0.000 2.376 88 C HA 0.568 5.027 4.460 -0.002 0.000 0.335 88 C C 0.185 175.453 174.990 0.463 0.000 1.229 88 C CA -1.139 58.074 59.018 0.325 0.000 1.867 88 C CB 0.125 28.144 27.740 0.466 0.000 2.319 88 C HN 0.244 nan 8.230 nan 0.000 0.515 89 I N 2.384 123.154 120.570 0.333 0.000 2.509 89 I HA 0.330 4.498 4.170 -0.002 0.000 0.293 89 I C -0.824 175.547 176.117 0.423 0.000 1.020 89 I CA 0.063 61.518 61.300 0.258 0.000 1.088 89 I CB 1.678 39.573 38.000 -0.175 0.000 1.267 89 I HN 0.595 nan 8.210 nan 0.000 0.430 90 D N 4.013 124.703 120.400 0.484 0.000 2.425 90 D HA 0.170 4.809 4.640 -0.002 0.000 0.240 90 D C 0.994 177.391 176.300 0.162 0.000 1.080 90 D CA -0.283 53.851 54.000 0.223 0.000 0.836 90 D CB 1.885 42.602 40.800 -0.138 0.000 1.125 90 D HN 0.681 nan 8.370 nan 0.000 0.525 91 T N 1.324 115.979 114.554 0.168 0.000 2.962 91 T HA -0.154 4.195 4.350 -0.002 0.000 0.270 91 T C 1.830 176.557 174.700 0.046 0.000 1.088 91 T CA 0.296 62.504 62.100 0.181 0.000 1.127 91 T CB 0.083 69.150 68.868 0.330 0.000 0.883 91 T HN 0.285 nan 8.240 nan 0.000 0.493 92 L N 1.313 122.388 121.223 -0.248 0.000 2.072 92 L HA 0.165 4.504 4.340 -0.002 0.000 0.205 92 L C 2.558 179.357 176.870 -0.118 0.000 1.079 92 L CA 1.179 55.837 54.840 -0.304 0.000 0.752 92 L CB -0.781 40.987 42.059 -0.484 0.000 0.906 92 L HN 0.144 nan 8.230 nan 0.000 0.436 93 V N -0.483 119.336 119.914 -0.159 0.000 2.295 93 V HA -0.299 3.820 4.120 -0.002 0.000 0.246 93 V C 2.595 178.626 176.094 -0.105 0.000 1.049 93 V CA 1.924 64.105 62.300 -0.198 0.000 1.024 93 V CB -0.502 31.031 31.823 -0.483 0.000 0.648 93 V HN 0.408 nan 8.190 nan 0.000 0.447 94 L N -0.405 120.811 121.223 -0.012 0.000 2.017 94 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 94 L C 2.740 179.644 176.870 0.057 0.000 1.073 94 L CA 1.960 56.862 54.840 0.104 0.000 0.745 94 L CB -0.478 41.722 42.059 0.235 0.000 0.894 94 L HN 0.376 nan 8.230 nan 0.000 0.432 95 S N -0.458 115.302 115.700 0.100 0.000 2.383 95 S HA -0.200 4.269 4.470 -0.002 0.000 0.229 95 S C 2.004 176.674 174.600 0.117 0.000 1.030 95 S CA 1.306 59.605 58.200 0.164 0.000 1.002 95 S CB -0.112 63.214 63.200 0.209 0.000 0.829 95 S HN 0.334 nan 8.310 nan 0.000 0.467 96 R N -0.141 120.391 120.500 0.053 0.000 2.189 96 R HA 0.052 4.391 4.340 -0.002 0.000 0.218 96 R C 2.123 178.427 176.300 0.007 0.000 1.074 96 R CA 0.981 57.103 56.100 0.037 0.000 0.991 96 R CB -0.216 30.095 30.300 0.018 0.000 0.883 96 R HN 0.374 nan 8.270 nan 0.000 0.457 97 L N 0.104 121.307 121.223 -0.035 0.000 2.168 97 L HA 0.090 4.429 4.340 -0.002 0.000 0.203 97 L C 1.640 178.376 176.870 -0.224 0.000 1.078 97 L CA 1.549 56.344 54.840 -0.076 0.000 0.780 97 L CB 0.115 42.139 42.059 -0.060 0.000 0.939 97 L HN 0.025 nan 8.230 nan 0.000 0.451 98 I N -0.822 119.532 120.570 -0.360 0.000 3.419 98 I HA -0.026 4.143 4.170 -0.002 0.000 0.286 98 I C 0.495 176.286 176.117 -0.544 0.000 1.268 98 I CA 0.277 61.213 61.300 -0.607 0.000 1.414 98 I CB -0.108 37.482 38.000 -0.683 0.000 1.074 98 I HN 0.272 nan 8.210 nan 0.000 0.457 99 H N -0.434 118.577 119.070 -0.099 0.000 2.676 99 H HA 0.214 4.769 4.556 -0.002 0.000 0.238 99 H C 1.550 176.846 175.328 -0.053 0.000 1.276 99 H CA 0.095 56.105 56.048 -0.064 0.000 0.983 99 H CB 0.518 30.266 29.762 -0.025 0.000 2.000 99 H HN 0.168 nan 8.280 nan 0.000 0.584 100 S N 0.315 116.023 115.700 0.012 0.000 2.500 100 S HA -0.160 4.309 4.470 -0.002 0.000 0.239 100 S C 1.597 176.200 174.600 0.006 0.000 0.989 100 S CA 0.863 59.074 58.200 0.018 0.000 0.951 100 S CB -0.110 63.101 63.200 0.018 0.000 0.759 100 S HN 0.529 nan 8.310 nan 0.000 0.523 101 N N 1.434 120.111 118.700 -0.040 0.000 2.467 101 N HA 0.082 4.821 4.740 -0.002 0.000 0.184 101 N C 0.290 175.748 175.510 -0.086 0.000 1.106 101 N CA 0.122 53.091 53.050 -0.135 0.000 0.892 101 N CB -0.206 38.039 38.487 -0.402 0.000 0.969 101 N HN 0.431 nan 8.380 nan 0.000 0.454 102 L N 0.357 121.568 121.223 -0.020 0.000 2.330 102 L HA 0.428 4.767 4.340 -0.002 0.000 0.271 102 L C 0.509 177.390 176.870 0.019 0.000 1.013 102 L CA -1.029 53.807 54.840 -0.007 0.000 0.816 102 L CB 1.492 43.547 42.059 -0.008 0.000 1.287 102 L HN -0.187 nan 8.230 nan 0.000 0.435 103 K N 1.185 121.597 120.400 0.020 0.000 2.258 103 K HA 0.482 4.801 4.320 -0.002 0.000 0.240 103 K C -0.958 175.676 176.600 0.056 0.000 1.039 103 K CA -0.463 55.847 56.287 0.038 0.000 0.940 103 K CB 1.120 33.642 32.500 0.038 0.000 1.200 103 K HN 0.803 nan 8.250 nan 0.000 0.499 104 D N -3.508 116.936 120.400 0.073 0.000 2.653 104 D HA 0.054 4.693 4.640 -0.002 0.000 0.258 104 D C -0.039 176.322 176.300 0.102 0.000 1.252 104 D CA -0.695 53.363 54.000 0.098 0.000 0.777 104 D CB 0.583 41.442 40.800 0.099 0.000 1.339 104 D HN 0.368 nan 8.370 nan 0.000 0.422 105 T N -2.485 112.135 114.554 0.110 0.000 3.194 105 T HA 0.137 4.486 4.350 -0.002 0.000 0.251 105 T C 0.458 175.211 174.700 0.089 0.000 1.132 105 T CA 0.448 62.606 62.100 0.097 0.000 1.028 105 T CB -0.693 68.221 68.868 0.076 0.000 0.976 105 T HN 0.667 nan 8.240 nan 0.000 0.535 106 D N 1.232 121.689 120.400 0.094 0.000 2.689 106 D HA -0.216 4.422 4.640 -0.002 0.000 0.237 106 D C 0.140 176.476 176.300 0.060 0.000 1.148 106 D CA 0.407 54.463 54.000 0.092 0.000 0.656 106 D CB -1.610 39.278 40.800 0.146 0.000 1.050 106 D HN 0.391 nan 8.370 nan 0.000 0.426 107 M N -1.228 118.407 119.600 0.057 0.000 2.298 107 M HA -0.164 4.314 4.480 -0.002 0.000 0.196 107 M C 1.489 177.779 176.300 -0.017 0.000 0.531 107 M CA 1.637 56.955 55.300 0.031 0.000 0.459 107 M CB -2.135 30.477 32.600 0.020 0.000 1.279 107 M HN 1.128 nan 8.290 nan 0.000 0.915 108 G N -0.840 107.951 108.800 -0.016 0.000 2.205 108 G HA2 -0.335 3.623 3.960 -0.002 0.000 0.261 108 G HA3 -0.335 3.623 3.960 -0.002 0.000 0.261 108 G C 0.774 175.657 174.900 -0.027 0.000 0.980 108 G CA 0.433 45.513 45.100 -0.033 0.000 0.632 108 G HN 0.552 nan 8.290 nan 0.000 0.533 109 L N -0.759 120.448 121.223 -0.026 0.000 2.362 109 L HA 0.137 4.476 4.340 -0.002 0.000 0.219 109 L C 0.751 177.624 176.870 0.006 0.000 1.134 109 L CA 0.673 55.471 54.840 -0.069 0.000 0.807 109 L CB -0.247 41.741 42.059 -0.118 0.000 0.927 109 L HN 0.196 nan 8.230 nan 0.000 0.447 110 L N -1.105 120.160 121.223 0.070 0.000 2.323 110 L HA 0.409 4.748 4.340 -0.002 0.000 0.265 110 L C 0.154 177.071 176.870 0.078 0.000 1.012 110 L CA -0.595 54.309 54.840 0.106 0.000 0.820 110 L CB 1.557 43.701 42.059 0.142 0.000 1.334 110 L HN -0.082 nan 8.230 nan 0.000 0.427 111 R N 0.188 120.735 120.500 0.079 0.000 2.265 111 R HA 0.237 4.576 4.340 -0.002 0.000 0.314 111 R C 1.032 177.388 176.300 0.094 0.000 1.053 111 R CA 0.052 56.197 56.100 0.075 0.000 0.931 111 R CB 1.020 31.357 30.300 0.061 0.000 1.024 111 R HN 0.821 nan 8.270 nan 0.000 0.457 112 S N 1.911 117.688 115.700 0.129 0.000 2.400 112 S HA -0.149 4.319 4.470 -0.002 0.000 0.232 112 S C 1.936 176.585 174.600 0.081 0.000 1.025 112 S CA 1.115 59.405 58.200 0.149 0.000 0.993 112 S CB -0.223 63.153 63.200 0.293 0.000 0.808 112 S HN 0.834 nan 8.310 nan 0.000 0.478 113 G N 1.489 110.329 108.800 0.066 0.000 2.443 113 G HA2 -0.128 3.830 3.960 -0.002 0.000 0.219 113 G HA3 -0.128 3.830 3.960 -0.002 0.000 0.219 113 G C 1.288 176.209 174.900 0.035 0.000 1.131 113 G CA 0.651 45.774 45.100 0.038 0.000 0.775 113 G HN 0.590 nan 8.290 nan 0.000 0.547 114 K N -0.277 120.150 120.400 0.045 0.000 2.387 114 K HA 0.316 4.634 4.320 -0.002 0.000 0.198 114 K C 0.053 176.679 176.600 0.043 0.000 1.022 114 K CA -0.317 55.996 56.287 0.042 0.000 1.128 114 K CB -0.085 32.444 32.500 0.048 0.000 0.853 114 K HN 0.171 nan 8.250 nan 0.000 0.523 115 L N 3.144 124.393 121.223 0.044 0.000 2.307 115 L HA 0.408 4.747 4.340 -0.002 0.000 0.282 115 L C -1.958 174.928 176.870 0.026 0.000 1.051 115 L CA -2.141 52.724 54.840 0.041 0.000 0.804 115 L CB 1.081 43.172 42.059 0.053 0.000 1.197 115 L HN 0.115 nan 8.230 nan 0.000 0.431 116 P HA 0.371 nan 4.420 nan 0.000 0.281 116 P C 0.013 177.316 177.300 0.006 0.000 1.249 116 P CA 0.115 63.224 63.100 0.017 0.000 0.810 116 P CB 1.477 33.190 31.700 0.023 0.000 1.008 125 L N 0.715 121.886 121.223 -0.087 0.000 2.381 125 L HA 0.523 4.862 4.340 -0.002 0.000 0.268 125 L C 0.110 176.929 176.870 -0.085 0.000 0.997 125 L CA -0.805 54.002 54.840 -0.055 0.000 0.818 125 L CB 1.914 43.965 42.059 -0.013 0.000 1.310 125 L HN 0.839 nan 8.230 nan 0.000 0.416 126 E N 1.628 121.777 120.200 -0.085 0.000 2.351 126 E HA 0.067 4.416 4.350 -0.002 0.000 0.266 126 E C 0.605 177.183 176.600 -0.036 0.000 1.031 126 E CA 0.371 56.686 56.400 -0.141 0.000 0.911 126 E CB 1.719 31.279 29.700 -0.234 0.000 0.986 126 E HN 0.731 nan 8.360 nan 0.000 0.446 127 A N 5.501 128.251 122.820 -0.117 0.000 1.859 127 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 127 A C 1.879 179.438 177.584 -0.041 0.000 1.198 127 A CA 1.767 53.710 52.037 -0.157 0.000 0.629 127 A CB -1.009 17.748 19.000 -0.403 0.000 0.830 127 A HN 0.887 nan 8.150 nan 0.000 0.446 128 W N -0.621 120.702 121.300 0.038 0.000 2.338 128 W HA -0.015 4.643 4.660 -0.002 0.000 0.304 128 W C 2.570 179.092 176.519 0.005 0.000 1.212 128 W CA 0.673 58.033 57.345 0.025 0.000 1.264 128 W CB -0.582 28.887 29.460 0.015 0.000 1.142 128 W HN 0.427 nan 8.180 nan 0.000 0.512 129 G N -0.859 108.095 108.800 0.257 0.000 2.432 129 G HA2 -0.343 3.615 3.960 -0.002 0.000 0.219 129 G HA3 -0.343 3.615 3.960 -0.002 0.000 0.219 129 G C 1.128 176.104 174.900 0.126 0.000 1.135 129 G CA 1.027 46.226 45.100 0.165 0.000 0.767 129 G HN 0.335 nan 8.290 nan 0.000 0.550 130 Y N 1.537 121.867 120.300 0.049 0.000 2.163 130 Y HA -0.033 4.515 4.550 -0.002 0.000 0.288 130 Y C 2.957 178.879 175.900 0.036 0.000 1.136 130 Y CA 1.595 59.711 58.100 0.027 0.000 1.147 130 Y CB -0.128 38.324 38.460 -0.013 0.000 0.987 130 Y HN 0.020 nan 8.280 nan 0.000 0.509 131 R N 0.050 120.581 120.500 0.051 0.000 2.105 131 R HA -0.177 4.162 4.340 -0.002 0.000 0.239 131 R C 2.262 178.534 176.300 -0.045 0.000 1.135 131 R CA 1.689 57.795 56.100 0.010 0.000 0.967 131 R CB -0.716 29.678 30.300 0.157 0.000 0.861 131 R HN 0.427 nan 8.270 nan 0.000 0.442 132 L N -0.651 120.545 121.223 -0.045 0.000 2.056 132 L HA -0.051 4.288 4.340 -0.002 0.000 0.207 132 L C 2.469 179.290 176.870 -0.080 0.000 1.078 132 L CA 1.349 56.134 54.840 -0.091 0.000 0.749 132 L CB -0.695 41.183 42.059 -0.302 0.000 0.901 132 L HN 0.303 nan 8.230 nan 0.000 0.433 133 G N -0.930 107.811 108.800 -0.098 0.000 2.559 133 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.216 133 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.216 133 G C 1.241 176.042 174.900 -0.164 0.000 1.126 133 G CA 0.257 45.304 45.100 -0.089 0.000 0.778 133 G HN 0.288 nan 8.290 nan 0.000 0.543 134 E N -0.149 119.904 120.200 -0.246 0.000 2.498 134 E HA 0.143 4.492 4.350 -0.002 0.000 0.203 134 E C 2.022 178.557 176.600 -0.108 0.000 1.013 134 E CA -0.472 55.793 56.400 -0.225 0.000 0.927 134 E CB 0.095 29.565 29.700 -0.383 0.000 1.012 134 E HN 0.323 nan 8.360 nan 0.000 0.482 135 M N 1.680 121.239 119.600 -0.068 0.000 2.180 135 M HA -0.257 4.222 4.480 -0.002 0.000 0.260 135 M C 1.629 177.864 176.300 -0.109 0.000 1.071 135 M CA 1.880 57.149 55.300 -0.052 0.000 1.096 135 M CB -0.332 32.270 32.600 0.003 0.000 1.276 135 M HN -0.071 nan 8.290 nan 0.000 0.426 136 K N -0.355 120.046 120.400 0.002 0.000 2.015 136 K HA -0.206 4.113 4.320 -0.002 0.000 0.220 136 K C 2.017 178.640 176.600 0.038 0.000 1.055 136 K CA 1.923 58.298 56.287 0.147 0.000 0.951 136 K CB -1.123 31.489 32.500 0.186 0.000 0.725 136 K HN 0.656 nan 8.250 nan 0.000 0.449 137 G N 1.277 110.070 108.800 -0.011 0.000 2.505 137 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.220 137 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.220 137 G C 1.233 176.081 174.900 -0.088 0.000 1.145 137 G CA 1.233 46.303 45.100 -0.051 0.000 0.761 137 G HN 0.411 nan 8.290 nan 0.000 0.571 138 E N -0.923 119.226 120.200 -0.085 0.000 2.106 138 E HA -0.116 4.233 4.350 -0.002 0.000 0.192 138 E C 2.091 178.619 176.600 -0.120 0.000 0.984 138 E CA 0.869 57.236 56.400 -0.054 0.000 0.806 138 E CB -0.211 29.511 29.700 0.036 0.000 0.750 138 E HN 0.604 nan 8.360 nan 0.000 0.458 139 Y N 1.923 121.915 120.300 -0.514 0.000 2.263 139 Y HA -0.128 4.421 4.550 -0.002 0.000 0.292 139 Y C 2.106 177.808 175.900 -0.330 0.000 1.130 139 Y CA 1.438 59.138 58.100 -0.668 0.000 1.179 139 Y CB 0.014 37.888 38.460 -0.977 0.000 0.998 139 Y HN -0.211 nan 8.280 nan 0.000 0.532 140 K N 0.075 120.206 120.400 -0.448 0.000 2.025 140 K HA -0.178 4.141 4.320 -0.002 0.000 0.207 140 K C 1.623 178.005 176.600 -0.362 0.000 1.049 140 K CA 1.886 57.883 56.287 -0.484 0.000 0.933 140 K CB -0.266 32.061 32.500 -0.289 0.000 0.714 140 K HN 0.272 nan 8.250 nan 0.000 0.438 141 D N 1.119 121.372 120.400 -0.245 0.000 2.149 141 D HA -0.150 4.488 4.640 -0.002 0.000 0.198 141 D C 1.448 177.651 176.300 -0.161 0.000 0.990 141 D CA 1.273 55.158 54.000 -0.191 0.000 0.839 141 D CB -0.276 40.456 40.800 -0.114 0.000 0.948 141 D HN 0.298 nan 8.370 nan 0.000 0.460 142 D N -0.527 119.799 120.400 -0.122 0.000 2.144 142 D HA -0.095 4.544 4.640 -0.002 0.000 0.200 142 D C 1.688 177.908 176.300 -0.135 0.000 0.978 142 D CA 0.308 54.267 54.000 -0.068 0.000 0.833 142 D CB -0.274 40.573 40.800 0.078 0.000 0.961 142 D HN 0.107 nan 8.370 nan 0.000 0.470 143 F N 1.635 121.337 119.950 -0.414 0.000 2.051 143 F HA -0.129 4.397 4.527 -0.002 0.000 0.296 143 F C 2.042 177.658 175.800 -0.307 0.000 1.122 143 F CA 1.459 59.202 58.000 -0.429 0.000 1.201 143 F CB -0.062 38.555 39.000 -0.639 0.000 0.978 143 F HN -0.198 nan 8.300 nan 0.000 0.472 144 K N -0.433 119.835 120.400 -0.220 0.000 2.160 144 K HA -0.255 4.064 4.320 -0.002 0.000 0.206 144 K C 2.169 178.642 176.600 -0.212 0.000 1.047 144 K CA 1.685 57.807 56.287 -0.274 0.000 0.930 144 K CB -0.214 32.026 32.500 -0.434 0.000 0.720 144 K HN 0.209 nan 8.250 nan 0.000 0.450 145 R N 0.667 121.048 120.500 -0.198 0.000 2.060 145 R HA 0.007 4.345 4.340 -0.002 0.000 0.225 145 R C 2.263 178.457 176.300 -0.175 0.000 1.155 145 R CA 1.184 57.191 56.100 -0.155 0.000 0.930 145 R CB -0.114 30.114 30.300 -0.121 0.000 0.829 145 R HN -0.011 nan 8.270 nan 0.000 0.433 146 M N 0.969 120.444 119.600 -0.208 0.000 2.192 146 M HA -0.219 4.260 4.480 -0.002 0.000 0.259 146 M C 2.130 178.266 176.300 -0.275 0.000 1.071 146 M CA 1.310 56.471 55.300 -0.231 0.000 1.082 146 M CB -0.801 31.633 32.600 -0.277 0.000 1.373 146 M HN 0.367 nan 8.290 nan 0.000 0.408 147 L N 0.248 121.267 121.223 -0.340 0.000 1.993 147 L HA -0.158 4.181 4.340 -0.002 0.000 0.206 147 L C 1.973 178.741 176.870 -0.170 0.000 1.074 147 L CA 1.884 56.541 54.840 -0.305 0.000 0.746 147 L CB -0.919 40.946 42.059 -0.322 0.000 0.896 147 L HN 0.306 nan 8.230 nan 0.000 0.435 148 E N -0.138 119.984 120.200 -0.131 0.000 2.267 148 E HA -0.231 4.118 4.350 -0.002 0.000 0.197 148 E C 1.509 178.059 176.600 -0.083 0.000 0.998 148 E CA 0.921 57.269 56.400 -0.086 0.000 0.830 148 E CB 0.018 29.674 29.700 -0.073 0.000 0.751 148 E HN 0.588 nan 8.360 nan 0.000 0.491 149 E N 0.241 120.381 120.200 -0.100 0.000 2.512 149 E HA -0.078 4.271 4.350 -0.002 0.000 0.195 149 E C 1.166 177.717 176.600 -0.082 0.000 1.083 149 E CA 0.215 56.565 56.400 -0.085 0.000 0.873 149 E CB 0.274 29.920 29.700 -0.090 0.000 0.897 149 E HN 0.177 nan 8.360 nan 0.000 0.514 150 Q N -1.244 118.502 119.800 -0.091 0.000 2.214 150 Q HA 0.140 4.479 4.340 -0.002 0.000 0.229 150 Q C 1.258 177.220 176.000 -0.063 0.000 0.835 150 Q CA 0.616 56.369 55.803 -0.083 0.000 0.953 150 Q CB 1.776 30.450 28.738 -0.108 0.000 1.131 150 Q HN 0.368 nan 8.270 nan 0.000 0.501 151 G N 1.266 110.031 108.800 -0.058 0.000 2.241 151 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.244 151 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.244 151 G C 0.294 175.172 174.900 -0.037 0.000 0.998 151 G CA 0.492 45.567 45.100 -0.042 0.000 0.621 151 G HN 0.350 nan 8.290 nan 0.000 0.519 152 E N 0.958 121.129 120.200 -0.048 0.000 2.585 152 E HA 0.547 4.896 4.350 -0.002 0.000 0.256 152 E C 0.638 177.225 176.600 -0.021 0.000 1.383 152 E CA 0.349 56.726 56.400 -0.037 0.000 1.029 152 E CB 0.334 30.000 29.700 -0.056 0.000 1.044 152 E HN 0.591 nan 8.360 nan 0.000 0.595 153 E N -0.158 120.039 120.200 -0.005 0.000 2.238 153 E HA 0.201 4.550 4.350 -0.002 0.000 0.267 153 E C -1.258 175.364 176.600 0.036 0.000 0.887 153 E CA -0.804 55.607 56.400 0.019 0.000 0.769 153 E CB 1.447 31.154 29.700 0.012 0.000 1.187 153 E HN 0.380 nan 8.360 nan 0.000 0.416 154 Y N 2.066 122.338 120.300 -0.047 0.000 2.304 154 Y HA 0.361 4.910 4.550 -0.002 0.000 0.327 154 Y C -0.869 175.007 175.900 -0.040 0.000 1.209 154 Y CA -0.195 57.876 58.100 -0.049 0.000 1.299 154 Y CB 0.754 39.182 38.460 -0.053 0.000 1.249 154 Y HN 0.237 nan 8.280 nan 0.000 0.519 155 V N 5.526 124.820 119.914 -1.033 0.000 2.925 155 V HA 0.244 4.363 4.120 -0.002 0.000 0.311 155 V C 0.129 175.712 176.094 -0.851 0.000 1.104 155 V CA -0.807 61.087 62.300 -0.676 0.000 0.954 155 V CB 1.743 33.414 31.823 -0.253 0.000 1.022 155 V HN 0.988 nan 8.190 nan 0.000 0.427 156 D N 2.798 122.995 120.400 -0.338 0.000 3.508 156 D HA -0.267 4.372 4.640 -0.002 0.000 0.499 156 D C 1.078 177.271 176.300 -0.178 0.000 0.539 156 D CA 2.871 56.794 54.000 -0.129 0.000 1.378 156 D CB -0.698 40.168 40.800 0.111 0.000 0.364 156 D HN 1.160 nan 8.370 nan 0.000 0.248 157 G N -0.826 107.815 108.800 -0.265 0.000 4.973 157 G HA2 0.364 4.323 3.960 -0.002 0.000 0.211 157 G HA3 0.364 4.323 3.960 -0.002 0.000 0.211 157 G C 0.916 175.427 174.900 -0.648 0.000 0.784 157 G CA 0.544 45.528 45.100 -0.194 0.000 0.657 157 G HN 0.368 nan 8.290 nan 0.000 0.480 158 M N -0.145 118.725 119.600 -1.217 0.000 2.549 158 M HA 0.032 4.511 4.480 -0.002 0.000 0.260 158 M C 1.859 177.424 176.300 -1.226 0.000 1.076 158 M CA 1.516 55.651 55.300 -1.941 0.000 1.090 158 M CB -0.256 31.361 32.600 -1.639 0.000 1.418 158 M HN 0.213 nan 8.290 nan 0.000 0.486 159 E N 0.427 119.878 120.200 -1.248 0.000 2.463 159 E HA -0.194 4.155 4.350 -0.002 0.000 0.201 159 E C 0.695 176.610 176.600 -1.143 0.000 1.045 159 E CA 1.116 56.371 56.400 -1.907 0.000 0.872 159 E CB -0.707 27.743 29.700 -2.084 0.000 0.797 159 E HN 0.877 nan 8.360 nan 0.000 0.538 160 W N -0.995 120.054 121.300 -0.419 0.000 2.998 160 W HA 0.236 4.894 4.660 -0.002 0.000 0.336 160 W C 1.234 177.871 176.519 0.197 0.000 1.112 160 W CA -0.996 56.314 57.345 -0.059 0.000 1.682 160 W CB 0.113 29.588 29.460 0.024 0.000 1.065 160 W HN -0.043 nan 8.180 nan 0.000 0.570 161 W N 1.050 122.444 121.300 0.157 0.000 2.436 161 W HA 0.023 4.682 4.660 -0.002 0.000 0.284 161 W C 0.373 176.986 176.519 0.156 0.000 1.225 161 W CA 0.658 58.101 57.345 0.163 0.000 1.271 161 W CB -1.168 28.337 29.460 0.075 0.000 1.114 161 W HN -0.241 nan 8.180 nan 0.000 0.559 162 N N -0.975 117.834 118.700 0.181 0.000 2.321 162 N HA 0.159 4.898 4.740 -0.002 0.000 0.290 162 N C -1.154 174.192 175.510 -0.273 0.000 1.212 162 N CA -0.766 52.310 53.050 0.042 0.000 0.767 162 N CB 1.684 40.248 38.487 0.129 0.000 1.494 162 N HN -0.259 nan 8.380 nan 0.000 0.479 163 F N 1.673 121.415 119.950 -0.346 0.000 2.440 163 F HA 0.339 4.865 4.527 -0.002 0.000 0.323 163 F C 0.003 175.734 175.800 -0.115 0.000 1.192 163 F CA 0.013 57.825 58.000 -0.313 0.000 1.252 163 F CB 0.426 39.352 39.000 -0.124 0.000 1.214 163 F HN 0.731 nan 8.300 nan 0.000 0.578 164 N N 0.548 118.331 118.700 -1.528 0.000 3.171 164 N HA 0.126 4.864 4.740 -0.002 0.000 0.239 164 N C -0.654 174.221 175.510 -1.059 0.000 1.275 164 N CA -0.664 51.770 53.050 -1.027 0.000 0.920 164 N CB 0.681 38.970 38.487 -0.330 0.000 1.554 164 N HN 0.413 nan 8.380 nan 0.000 0.504 165 E N 0.158 120.025 120.200 -0.556 0.000 2.331 165 E HA -0.215 4.134 4.350 -0.002 0.000 0.199 165 E C 0.873 177.384 176.600 -0.149 0.000 1.008 165 E CA 1.214 57.460 56.400 -0.257 0.000 0.843 165 E CB 0.050 29.691 29.700 -0.099 0.000 0.761 165 E HN 0.826 nan 8.360 nan 0.000 0.507 166 E N 0.874 121.009 120.200 -0.109 0.000 2.072 166 E HA -0.097 4.252 4.350 -0.002 0.000 0.190 166 E C 2.079 178.719 176.600 0.067 0.000 0.982 166 E CA 0.826 57.254 56.400 0.046 0.000 0.803 166 E CB -0.186 29.628 29.700 0.189 0.000 0.755 166 E HN 0.188 nan 8.360 nan 0.000 0.453 167 M N -0.440 119.092 119.600 -0.112 0.000 2.117 167 M HA -0.135 4.344 4.480 -0.002 0.000 0.262 167 M C 2.126 178.369 176.300 -0.095 0.000 1.065 167 M CA 1.676 56.778 55.300 -0.331 0.000 1.114 167 M CB -0.077 32.259 32.600 -0.439 0.000 1.361 167 M HN 0.336 nan 8.290 nan 0.000 0.408 168 M N 0.939 120.513 119.600 -0.044 0.000 2.149 168 M HA -0.222 4.257 4.480 -0.002 0.000 0.261 168 M C 1.078 177.415 176.300 0.061 0.000 1.064 168 M CA 2.021 57.397 55.300 0.128 0.000 1.102 168 M CB -0.518 32.215 32.600 0.222 0.000 1.369 168 M HN 0.226 nan 8.290 nan 0.000 0.408 169 D N -1.306 119.088 120.400 -0.010 0.000 2.144 169 D HA -0.137 4.502 4.640 -0.002 0.000 0.200 169 D C 1.796 178.036 176.300 -0.101 0.000 0.978 169 D CA 1.355 55.308 54.000 -0.079 0.000 0.833 169 D CB -0.439 40.266 40.800 -0.158 0.000 0.961 169 D HN 0.427 nan 8.370 nan 0.000 0.470 170 Y N 1.243 121.508 120.300 -0.057 0.000 2.145 170 Y HA -0.132 4.417 4.550 -0.002 0.000 0.286 170 Y C 2.232 178.121 175.900 -0.018 0.000 1.145 170 Y CA 1.214 59.284 58.100 -0.051 0.000 1.148 170 Y CB -0.566 37.820 38.460 -0.123 0.000 0.981 170 Y HN 0.034 nan 8.280 nan 0.000 0.507 171 N N -0.186 118.603 118.700 0.148 0.000 2.061 171 N HA -0.209 4.529 4.740 -0.002 0.000 0.193 171 N C 1.763 177.348 175.510 0.125 0.000 1.030 171 N CA 1.664 54.796 53.050 0.136 0.000 0.856 171 N CB -0.176 38.390 38.487 0.131 0.000 1.023 171 N HN 0.114 nan 8.380 nan 0.000 0.424 172 V N 0.772 120.734 119.914 0.081 0.000 2.343 172 V HA -0.193 3.926 4.120 -0.002 0.000 0.247 172 V C 2.425 178.511 176.094 -0.013 0.000 1.051 172 V CA 1.563 63.884 62.300 0.035 0.000 1.036 172 V CB -0.672 31.126 31.823 -0.042 0.000 0.654 172 V HN 0.359 nan 8.190 nan 0.000 0.451 173 Q N 0.156 119.944 119.800 -0.020 0.000 2.124 173 Q HA -0.203 4.136 4.340 -0.002 0.000 0.202 173 Q C 1.810 177.832 176.000 0.036 0.000 0.977 173 Q CA 1.861 57.651 55.803 -0.022 0.000 0.850 173 Q CB -0.530 28.186 28.738 -0.036 0.000 0.901 173 Q HN 0.647 nan 8.270 nan 0.000 0.429 174 D N -1.360 119.093 120.400 0.088 0.000 2.117 174 D HA -0.115 4.524 4.640 -0.002 0.000 0.197 174 D C 1.758 178.108 176.300 0.083 0.000 0.987 174 D CA 1.107 55.163 54.000 0.094 0.000 0.829 174 D CB -0.006 40.870 40.800 0.127 0.000 0.961 174 D HN 0.113 nan 8.370 nan 0.000 0.460 175 V N 0.356 120.342 119.914 0.121 0.000 2.358 175 V HA -0.162 3.957 4.120 -0.002 0.000 0.246 175 V C 2.466 178.612 176.094 0.087 0.000 1.047 175 V CA 1.311 63.702 62.300 0.153 0.000 1.035 175 V CB -0.417 31.569 31.823 0.272 0.000 0.658 175 V HN 0.141 nan 8.190 nan 0.000 0.452 176 V N -0.459 119.481 119.914 0.043 0.000 2.515 176 V HA -0.151 3.968 4.120 -0.002 0.000 0.250 176 V C 2.209 178.208 176.094 -0.158 0.000 1.058 176 V CA 2.149 64.418 62.300 -0.051 0.000 1.064 176 V CB 0.244 31.981 31.823 -0.144 0.000 0.675 176 V HN 0.354 nan 8.190 nan 0.000 0.461 177 V N 0.175 120.018 119.914 -0.118 0.000 2.488 177 V HA -0.149 3.970 4.120 -0.002 0.000 0.246 177 V C 2.624 178.569 176.094 -0.249 0.000 1.046 177 V CA 2.346 64.522 62.300 -0.207 0.000 1.053 177 V CB -0.725 31.112 31.823 0.024 0.000 0.679 177 V HN 0.629 nan 8.190 nan 0.000 0.458 178 T N -0.332 114.157 114.554 -0.108 0.000 2.788 178 T HA -0.233 4.116 4.350 -0.002 0.000 0.268 178 T C 1.934 176.590 174.700 -0.075 0.000 1.044 178 T CA 1.703 63.776 62.100 -0.045 0.000 1.139 178 T CB -0.145 68.765 68.868 0.071 0.000 0.867 178 T HN 0.420 nan 8.240 nan 0.000 0.454 179 K N 0.996 121.320 120.400 -0.127 0.000 2.025 179 K HA -0.013 4.306 4.320 -0.002 0.000 0.207 179 K C 2.557 179.030 176.600 -0.213 0.000 1.049 179 K CA 1.176 57.376 56.287 -0.145 0.000 0.933 179 K CB -0.309 32.016 32.500 -0.293 0.000 0.714 179 K HN 0.273 nan 8.250 nan 0.000 0.438 180 A N 1.752 124.324 122.820 -0.414 0.000 1.902 180 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 180 A C 2.138 179.373 177.584 -0.582 0.000 1.181 180 A CA 1.261 52.912 52.037 -0.643 0.000 0.623 180 A CB -0.683 17.515 19.000 -1.337 0.000 0.818 180 A HN 0.428 nan 8.150 nan 0.000 0.443 181 L N -1.020 119.902 121.223 -0.502 0.000 2.046 181 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 181 L C 2.524 179.378 176.870 -0.026 0.000 1.077 181 L CA 1.766 56.505 54.840 -0.169 0.000 0.747 181 L CB -0.319 41.743 42.059 0.005 0.000 0.896 181 L HN 0.494 nan 8.230 nan 0.000 0.432 182 L N 0.359 121.566 121.223 -0.028 0.000 1.970 182 L HA -0.274 4.065 4.340 -0.002 0.000 0.212 182 L C 2.305 179.157 176.870 -0.030 0.000 1.071 182 L CA 1.965 56.810 54.840 0.007 0.000 0.751 182 L CB -0.580 41.500 42.059 0.035 0.000 0.889 182 L HN 0.228 nan 8.230 nan 0.000 0.432 183 E N -0.625 119.556 120.200 -0.032 0.000 2.118 183 E HA -0.291 4.058 4.350 -0.002 0.000 0.195 183 E C 2.171 178.772 176.600 0.003 0.000 0.992 183 E CA 1.523 57.910 56.400 -0.021 0.000 0.804 183 E CB -0.190 29.509 29.700 -0.002 0.000 0.741 183 E HN 0.450 nan 8.360 nan 0.000 0.458 184 K N 0.743 121.161 120.400 0.030 0.000 2.097 184 K HA -0.124 4.194 4.320 -0.002 0.000 0.205 184 K C 1.993 178.659 176.600 0.110 0.000 1.050 184 K CA 0.780 57.132 56.287 0.108 0.000 0.938 184 K CB 0.056 32.676 32.500 0.201 0.000 0.718 184 K HN 0.120 nan 8.250 nan 0.000 0.442 185 L N 0.853 122.124 121.223 0.080 0.000 2.072 185 L HA -0.103 4.236 4.340 -0.002 0.000 0.205 185 L C 2.242 179.104 176.870 -0.014 0.000 1.079 185 L CA 0.694 55.577 54.840 0.071 0.000 0.752 185 L CB -0.237 41.872 42.059 0.083 0.000 0.906 185 L HN 0.160 nan 8.230 nan 0.000 0.436 186 L N -0.231 120.867 121.223 -0.208 0.000 2.456 186 L HA -0.107 4.231 4.340 -0.002 0.000 0.224 186 L C 2.444 179.261 176.870 -0.089 0.000 1.148 186 L CA 0.942 55.500 54.840 -0.471 0.000 0.825 186 L CB -0.428 41.387 42.059 -0.408 0.000 0.937 186 L HN 0.377 nan 8.230 nan 0.000 0.450 187 S N -2.666 113.051 115.700 0.028 0.000 2.593 187 S HA -0.051 4.417 4.470 -0.002 0.000 0.217 187 S C 0.773 175.458 174.600 0.142 0.000 0.966 187 S CA -0.333 57.921 58.200 0.090 0.000 0.914 187 S CB -0.232 63.019 63.200 0.085 0.000 0.776 187 S HN 0.268 nan 8.310 nan 0.000 0.523 188 D N 2.185 122.703 120.400 0.196 0.000 2.374 188 D HA 0.194 4.832 4.640 -0.002 0.000 0.240 188 D C 0.557 177.020 176.300 0.271 0.000 1.229 188 D CA -0.048 54.087 54.000 0.225 0.000 0.895 188 D CB 0.759 41.702 40.800 0.238 0.000 1.046 188 D HN 0.281 nan 8.370 nan 0.000 0.498 189 K N 1.845 122.356 120.400 0.184 0.000 2.360 189 K HA -0.210 4.109 4.320 -0.002 0.000 0.201 189 K C 1.518 178.162 176.600 0.073 0.000 1.046 189 K CA 0.758 57.128 56.287 0.139 0.000 0.940 189 K CB 0.009 32.572 32.500 0.105 0.000 0.748 189 K HN 0.522 nan 8.250 nan 0.000 0.465 190 H N -0.924 118.128 119.070 -0.030 0.000 2.428 190 H HA -0.091 4.464 4.556 -0.002 0.000 0.296 190 H C 1.025 176.079 175.328 -0.456 0.000 1.062 190 H CA 1.562 57.461 56.048 -0.247 0.000 1.350 190 H CB 0.264 29.797 29.762 -0.383 0.000 1.403 190 H HN 0.204 nan 8.280 nan 0.000 0.533 191 Y N -1.695 118.503 120.300 -0.170 0.000 2.524 191 Y HA 0.218 4.766 4.550 -0.002 0.000 0.270 191 Y C -0.299 175.016 175.900 -0.976 0.000 1.094 191 Y CA -0.190 57.582 58.100 -0.546 0.000 1.276 191 Y CB 0.634 38.717 38.460 -0.629 0.000 1.130 191 Y HN 0.001 nan 8.280 nan 0.000 0.536 192 F N 2.168 122.060 119.950 -0.097 0.000 2.496 192 F HA 0.425 4.951 4.527 -0.002 0.000 0.341 192 F C -2.581 173.203 175.800 -0.027 0.000 1.134 192 F CA -3.432 54.381 58.000 -0.311 0.000 0.968 192 F CB 1.214 39.879 39.000 -0.559 0.000 1.205 192 F HN -0.263 nan 8.300 nan 0.000 0.436 193 P HA 0.035 nan 4.420 nan 0.000 0.267 193 P C -2.003 175.459 177.300 0.270 0.000 1.209 193 P CA -1.133 62.086 63.100 0.198 0.000 0.763 193 P CB 0.854 32.648 31.700 0.156 0.000 0.816 194 P HA -0.176 nan 4.420 nan 0.000 0.223 194 P C 0.860 178.220 177.300 0.099 0.000 1.144 194 P CA 1.406 64.591 63.100 0.142 0.000 0.783 194 P CB 0.240 32.000 31.700 0.100 0.000 0.771 195 E N -0.178 120.069 120.200 0.077 0.000 2.106 195 E HA -0.044 4.304 4.350 -0.002 0.000 0.192 195 E C 1.094 177.680 176.600 -0.023 0.000 0.984 195 E CA 0.683 57.097 56.400 0.024 0.000 0.806 195 E CB -0.467 29.241 29.700 0.012 0.000 0.750 195 E HN 0.305 nan 8.360 nan 0.000 0.458 196 I N 1.527 122.069 120.570 -0.046 0.000 2.440 196 I HA 0.129 4.298 4.170 -0.002 0.000 0.294 196 I C 0.041 176.014 176.117 -0.240 0.000 0.995 196 I CA -0.821 60.315 61.300 -0.273 0.000 1.306 196 I CB 0.858 38.406 38.000 -0.753 0.000 1.407 196 I HN -0.078 nan 8.210 nan 0.000 0.501 197 D N 5.358 125.604 120.400 -0.257 0.000 2.456 197 D HA 0.161 4.800 4.640 -0.002 0.000 0.219 197 D C 0.624 176.782 176.300 -0.237 0.000 1.126 197 D CA -0.387 53.526 54.000 -0.145 0.000 0.890 197 D CB 0.263 41.000 40.800 -0.106 0.000 1.025 197 D HN 0.264 nan 8.370 nan 0.000 0.511 198 F N 1.180 121.069 119.950 -0.101 0.000 2.722 198 F HA -0.077 4.449 4.527 -0.002 0.000 0.298 198 F C 2.460 178.196 175.800 -0.108 0.000 1.175 198 F CA 0.933 58.882 58.000 -0.086 0.000 1.462 198 F CB -0.102 38.813 39.000 -0.142 0.000 1.111 198 F HN 0.365 nan 8.300 nan 0.000 0.592 199 T N -4.502 109.975 114.554 -0.128 0.000 3.107 199 T HA 0.044 4.393 4.350 -0.002 0.000 0.249 199 T C 0.460 174.984 174.700 -0.294 0.000 1.096 199 T CA 0.203 62.067 62.100 -0.394 0.000 1.012 199 T CB -0.096 68.242 68.868 -0.883 0.000 0.977 199 T HN 0.076 nan 8.240 nan 0.000 0.527 200 D N 1.337 121.634 120.400 -0.172 0.000 2.879 200 D HA 0.358 4.997 4.640 -0.002 0.000 0.351 200 D C -0.631 175.597 176.300 -0.119 0.000 1.239 200 D CA -0.483 53.442 54.000 -0.126 0.000 0.771 200 D CB 0.767 41.504 40.800 -0.104 0.000 1.176 200 D HN 0.356 nan 8.370 nan 0.000 0.496 201 V N -1.785 118.071 119.914 -0.098 0.000 3.120 201 V HA 0.946 5.064 4.120 -0.002 0.000 0.303 201 V C 0.637 176.700 176.094 -0.052 0.000 1.238 201 V CA -0.739 61.503 62.300 -0.096 0.000 1.008 201 V CB 1.199 32.929 31.823 -0.156 0.000 1.064 201 V HN 0.120 nan 8.190 nan 0.000 0.434 202 G N 1.304 110.064 108.800 -0.067 0.000 2.636 202 G HA2 0.284 4.243 3.960 -0.002 0.000 0.246 202 G HA3 0.284 4.243 3.960 -0.002 0.000 0.246 202 G C 0.277 175.145 174.900 -0.055 0.000 1.216 202 G CA 0.379 45.442 45.100 -0.062 0.000 0.854 202 G HN 1.582 nan 8.290 nan 0.000 0.572 203 Y N -0.603 119.669 120.300 -0.046 0.000 2.151 203 Y HA -0.194 4.355 4.550 -0.002 0.000 0.284 203 Y C 2.588 178.501 175.900 0.021 0.000 1.166 203 Y CA 2.136 60.188 58.100 -0.080 0.000 1.163 203 Y CB -1.231 37.225 38.460 -0.006 0.000 0.974 203 Y HN 0.340 nan 8.280 nan 0.000 0.511 204 T N -0.195 114.010 114.554 -0.582 0.000 2.759 204 T HA -0.183 4.166 4.350 -0.002 0.000 0.269 204 T C 1.663 176.359 174.700 -0.006 0.000 1.042 204 T CA 2.046 64.003 62.100 -0.239 0.000 1.140 204 T CB -0.677 67.965 68.868 -0.377 0.000 0.864 204 T HN 0.562 nan 8.240 nan 0.000 0.455 205 T N 1.455 115.977 114.554 -0.054 0.000 2.857 205 T HA 0.052 4.401 4.350 -0.002 0.000 0.266 205 T C 1.497 176.248 174.700 0.085 0.000 1.048 205 T CA 0.536 62.632 62.100 -0.006 0.000 1.139 205 T CB -0.427 68.395 68.868 -0.076 0.000 0.874 205 T HN 0.356 nan 8.240 nan 0.000 0.455 206 F N 0.376 120.285 119.950 -0.070 0.000 2.134 206 F HA -0.057 4.469 4.527 -0.002 0.000 0.299 206 F C 1.650 177.448 175.800 -0.004 0.000 1.097 206 F CA 1.115 59.088 58.000 -0.045 0.000 1.264 206 F CB -0.321 38.428 39.000 -0.419 0.000 1.001 206 F HN 0.254 nan 8.300 nan 0.000 0.479 207 W N -0.379 121.149 121.300 0.380 0.000 2.523 207 W HA -0.040 4.619 4.660 -0.002 0.000 0.278 207 W C 2.787 179.387 176.519 0.135 0.000 1.236 207 W CA 0.706 58.202 57.345 0.252 0.000 1.306 207 W CB -0.625 28.983 29.460 0.245 0.000 1.101 207 W HN 0.086 nan 8.180 nan 0.000 0.577 208 S N -0.235 115.656 115.700 0.318 0.000 2.446 208 S HA -0.057 4.412 4.470 -0.002 0.000 0.225 208 S C 1.422 176.109 174.600 0.144 0.000 1.016 208 S CA 0.748 59.067 58.200 0.198 0.000 0.943 208 S CB -0.231 63.052 63.200 0.138 0.000 0.786 208 S HN 0.150 nan 8.310 nan 0.000 0.508 209 E N 2.023 122.315 120.200 0.154 0.000 2.400 209 E HA 0.144 4.493 4.350 -0.002 0.000 0.195 209 E C 0.845 177.552 176.600 0.177 0.000 1.012 209 E CA 0.384 56.880 56.400 0.161 0.000 0.875 209 E CB 0.347 30.137 29.700 0.150 0.000 0.859 209 E HN 0.721 nan 8.360 nan 0.000 0.498 210 S N 0.632 116.378 115.700 0.077 0.000 2.693 210 S HA 0.336 4.805 4.470 -0.002 0.000 0.276 210 S C 0.247 174.766 174.600 -0.134 0.000 1.192 210 S CA -0.917 57.164 58.200 -0.197 0.000 0.994 210 S CB 1.446 64.331 63.200 -0.525 0.000 1.012 210 S HN 0.049 nan 8.310 nan 0.000 0.550 211 L N 1.710 122.778 121.223 -0.258 0.000 2.559 211 L HA 0.094 4.433 4.340 -0.002 0.000 0.282 211 L C 1.840 178.720 176.870 0.017 0.000 1.232 211 L CA 0.591 55.344 54.840 -0.144 0.000 0.885 211 L CB -0.219 41.698 42.059 -0.238 0.000 1.131 211 L HN 1.029 nan 8.230 nan 0.000 0.498 212 E N 3.401 123.655 120.200 0.090 0.000 2.187 212 E HA -0.294 4.055 4.350 -0.002 0.000 0.199 212 E C 1.660 178.393 176.600 0.222 0.000 1.004 212 E CA 1.424 57.938 56.400 0.190 0.000 0.813 212 E CB 0.126 29.986 29.700 0.267 0.000 0.736 212 E HN 0.907 nan 8.360 nan 0.000 0.468 213 A N 0.479 123.421 122.820 0.202 0.000 1.940 213 A HA -0.152 4.167 4.320 -0.002 0.000 0.219 213 A C 2.390 180.130 177.584 0.260 0.000 1.176 213 A CA 1.485 53.664 52.037 0.236 0.000 0.631 213 A CB -0.624 18.522 19.000 0.243 0.000 0.814 213 A HN 0.239 nan 8.150 nan 0.000 0.446 214 V N 0.482 120.557 119.914 0.268 0.000 2.392 214 V HA -0.268 3.851 4.120 -0.002 0.000 0.249 214 V C 2.296 178.724 176.094 0.557 0.000 1.059 214 V CA 2.511 65.063 62.300 0.421 0.000 1.051 214 V CB -0.755 31.274 31.823 0.343 0.000 0.658 214 V HN 0.765 nan 8.190 nan 0.000 0.455 215 D N -0.077 120.540 120.400 0.362 0.000 2.120 215 D HA -0.098 4.541 4.640 -0.002 0.000 0.202 215 D C 1.994 178.322 176.300 0.046 0.000 0.972 215 D CA 1.179 55.240 54.000 0.102 0.000 0.837 215 D CB -0.119 40.736 40.800 0.092 0.000 0.989 215 D HN 0.398 nan 8.370 nan 0.000 0.469 216 I N 0.510 121.161 120.570 0.135 0.000 2.286 216 I HA -0.168 4.001 4.170 -0.002 0.000 0.248 216 I C 2.144 178.334 176.117 0.121 0.000 1.115 216 I CA 0.860 62.232 61.300 0.120 0.000 1.392 216 I CB -0.262 37.860 38.000 0.203 0.000 1.065 216 I HN 0.065 nan 8.210 nan 0.000 0.418 217 E N 0.276 120.572 120.200 0.160 0.000 2.106 217 E HA -0.212 4.137 4.350 -0.002 0.000 0.192 217 E C 2.096 178.715 176.600 0.032 0.000 0.984 217 E CA 1.456 57.914 56.400 0.096 0.000 0.806 217 E CB -0.389 29.352 29.700 0.069 0.000 0.750 217 E HN 0.603 nan 8.360 nan 0.000 0.458 218 H N 0.189 119.305 119.070 0.076 0.000 2.357 218 H HA 0.071 4.626 4.556 -0.002 0.000 0.301 218 H C 2.275 177.680 175.328 0.129 0.000 1.082 218 H CA 1.407 57.507 56.048 0.086 0.000 1.342 218 H CB 0.105 29.923 29.762 0.093 0.000 1.389 218 H HN -0.005 nan 8.280 nan 0.000 0.511 219 R N 0.117 120.669 120.500 0.086 0.000 2.073 219 R HA -0.060 4.279 4.340 -0.002 0.000 0.234 219 R C 2.546 178.892 176.300 0.077 0.000 1.134 219 R CA 1.066 57.174 56.100 0.013 0.000 0.952 219 R CB -0.307 29.926 30.300 -0.112 0.000 0.850 219 R HN 0.297 nan 8.270 nan 0.000 0.433 220 A N 1.282 124.130 122.820 0.046 0.000 1.883 220 A HA -0.178 4.141 4.320 -0.002 0.000 0.217 220 A C 2.379 180.018 177.584 0.092 0.000 1.186 220 A CA 1.890 53.939 52.037 0.020 0.000 0.624 220 A CB -0.801 18.218 19.000 0.031 0.000 0.822 220 A HN 0.428 nan 8.150 nan 0.000 0.444 221 A N -1.541 121.363 122.820 0.139 0.000 1.902 221 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 221 A C 2.102 179.846 177.584 0.267 0.000 1.181 221 A CA 1.427 53.564 52.037 0.166 0.000 0.623 221 A CB -0.837 18.212 19.000 0.083 0.000 0.818 221 A HN 0.863 nan 8.150 nan 0.000 0.443 222 W N 0.418 121.822 121.300 0.174 0.000 2.381 222 W HA -0.144 4.515 4.660 -0.002 0.000 0.301 222 W C 1.723 178.212 176.519 -0.049 0.000 1.205 222 W CA 1.797 59.182 57.345 0.066 0.000 1.285 222 W CB -0.346 29.110 29.460 -0.006 0.000 1.133 222 W HN 0.369 nan 8.180 nan 0.000 0.521 223 L N 1.134 122.475 121.223 0.197 0.000 2.072 223 L HA -0.087 4.252 4.340 -0.002 0.000 0.205 223 L C 2.302 179.149 176.870 -0.039 0.000 1.079 223 L CA 1.868 56.719 54.840 0.018 0.000 0.752 223 L CB -1.162 40.853 42.059 -0.074 0.000 0.906 223 L HN -0.088 nan 8.230 nan 0.000 0.436 224 L N -0.364 120.873 121.223 0.023 0.000 2.275 224 L HA -0.065 4.273 4.340 -0.002 0.000 0.215 224 L C 2.595 179.478 176.870 0.022 0.000 1.119 224 L CA 0.840 55.720 54.840 0.067 0.000 0.790 224 L CB -0.756 41.391 42.059 0.146 0.000 0.919 224 L HN 0.388 nan 8.230 nan 0.000 0.443 225 A N 0.111 122.908 122.820 -0.038 0.000 1.968 225 A HA -0.208 4.111 4.320 -0.002 0.000 0.217 225 A C 2.290 179.783 177.584 -0.151 0.000 1.169 225 A CA 1.657 53.640 52.037 -0.090 0.000 0.638 225 A CB -0.255 18.645 19.000 -0.166 0.000 0.812 225 A HN 0.234 nan 8.150 nan 0.000 0.446 226 K N 0.290 120.559 120.400 -0.218 0.000 2.057 226 K HA -0.159 4.159 4.320 -0.002 0.000 0.206 226 K C 2.162 178.642 176.600 -0.199 0.000 1.050 226 K CA 1.997 58.113 56.287 -0.284 0.000 0.935 226 K CB -0.467 31.802 32.500 -0.385 0.000 0.715 226 K HN 0.558 nan 8.250 nan 0.000 0.439 227 Q N 0.533 120.277 119.800 -0.093 0.000 2.061 227 Q HA -0.225 4.114 4.340 -0.002 0.000 0.204 227 Q C 1.834 177.843 176.000 0.015 0.000 0.984 227 Q CA 2.059 57.861 55.803 -0.002 0.000 0.846 227 Q CB -0.125 28.681 28.738 0.113 0.000 0.902 227 Q HN 0.492 nan 8.270 nan 0.000 0.421 228 E N -0.162 120.066 120.200 0.047 0.000 2.130 228 E HA -0.214 4.135 4.350 -0.002 0.000 0.196 228 E C 2.159 178.867 176.600 0.180 0.000 0.998 228 E CA 1.066 57.530 56.400 0.107 0.000 0.806 228 E CB 0.012 29.770 29.700 0.098 0.000 0.738 228 E HN 0.284 nan 8.360 nan 0.000 0.459 229 R N 0.285 120.837 120.500 0.087 0.000 2.115 229 R HA -0.040 4.299 4.340 -0.002 0.000 0.226 229 R C 1.942 178.355 176.300 0.189 0.000 1.100 229 R CA 0.796 56.972 56.100 0.127 0.000 0.980 229 R CB 0.029 30.306 30.300 -0.038 0.000 0.875 229 R HN 0.126 nan 8.270 nan 0.000 0.445 230 N N -0.091 118.626 118.700 0.028 0.000 2.106 230 N HA -0.047 4.692 4.740 -0.002 0.000 0.188 230 N C 0.975 176.614 175.510 0.215 0.000 1.029 230 N CA 1.379 54.436 53.050 0.012 0.000 0.848 230 N CB -0.269 38.022 38.487 -0.327 0.000 1.007 230 N HN 0.306 nan 8.380 nan 0.000 0.423 231 G N 0.155 108.934 108.800 -0.036 0.000 2.829 231 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.628 231 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.628 231 G C -1.188 173.735 174.900 0.039 0.000 1.412 231 G CA -0.530 44.378 45.100 -0.320 0.000 0.864 231 G HN 0.196 nan 8.290 nan 0.000 0.544 232 F N 1.844 121.768 119.950 -0.044 0.000 2.427 232 F HA 0.624 5.150 4.527 -0.002 0.000 0.348 232 F C -1.974 173.899 175.800 0.122 0.000 1.125 232 F CA -2.861 55.209 58.000 0.117 0.000 0.989 232 F CB 1.956 41.075 39.000 0.198 0.000 1.165 232 F HN 0.235 nan 8.300 nan 0.000 0.442 233 P HA -0.019 nan 4.420 nan 0.000 0.260 233 P C -1.207 176.287 177.300 0.323 0.000 1.185 233 P CA 0.729 64.017 63.100 0.313 0.000 0.763 233 P CB 0.020 31.875 31.700 0.260 0.000 0.776 234 F N 3.199 123.097 119.950 -0.087 0.000 2.529 234 F HA 0.316 4.842 4.527 -0.002 0.000 0.320 234 F C -0.220 175.347 175.800 -0.389 0.000 1.118 234 F CA -1.009 56.768 58.000 -0.373 0.000 0.915 234 F CB 1.479 40.197 39.000 -0.470 0.000 1.161 234 F HN 0.095 nan 8.300 nan 0.000 0.445 235 D N 4.380 124.079 120.400 -1.169 0.000 2.483 235 D HA 0.128 4.767 4.640 -0.002 0.000 0.220 235 D C 0.977 176.707 176.300 -0.950 0.000 1.173 235 D CA 0.251 53.623 54.000 -1.047 0.000 0.964 235 D CB 1.008 41.054 40.800 -1.257 0.000 1.046 235 D HN 0.688 nan 8.370 nan 0.000 0.517 236 T N 2.534 116.783 114.554 -0.507 0.000 2.684 236 T HA -0.207 4.141 4.350 -0.002 0.000 0.267 236 T C 1.770 176.369 174.700 -0.168 0.000 1.036 236 T CA 1.126 63.105 62.100 -0.201 0.000 1.148 236 T CB 0.087 68.974 68.868 0.030 0.000 0.863 236 T HN 0.406 nan 8.240 nan 0.000 0.436 237 K N 1.047 121.349 120.400 -0.163 0.000 2.103 237 K HA -0.072 4.247 4.320 -0.002 0.000 0.207 237 K C 2.483 179.016 176.600 -0.113 0.000 1.048 237 K CA 1.261 57.486 56.287 -0.102 0.000 0.930 237 K CB -0.321 32.127 32.500 -0.088 0.000 0.716 237 K HN 0.304 nan 8.250 nan 0.000 0.444 238 A N 1.154 123.852 122.820 -0.203 0.000 1.933 238 A HA -0.118 4.201 4.320 -0.002 0.000 0.218 238 A C 1.957 179.476 177.584 -0.109 0.000 1.175 238 A CA 1.215 53.155 52.037 -0.163 0.000 0.628 238 A CB -0.361 18.497 19.000 -0.237 0.000 0.814 238 A HN 0.281 nan 8.150 nan 0.000 0.444 239 I N 0.124 120.598 120.570 -0.160 0.000 2.500 239 I HA -0.130 4.039 4.170 -0.002 0.000 0.252 239 I C 2.159 178.326 176.117 0.084 0.000 1.142 239 I CA 1.054 62.354 61.300 -0.000 0.000 1.451 239 I CB -1.593 36.456 38.000 0.083 0.000 1.093 239 I HN 0.465 nan 8.210 nan 0.000 0.430 240 E N 0.983 121.222 120.200 0.065 0.000 2.106 240 E HA -0.207 4.142 4.350 -0.002 0.000 0.192 240 E C 1.810 178.481 176.600 0.117 0.000 0.984 240 E CA 1.045 57.521 56.400 0.127 0.000 0.806 240 E CB -0.069 29.683 29.700 0.085 0.000 0.750 240 E HN 0.579 nan 8.360 nan 0.000 0.458 241 E N 0.500 120.732 120.200 0.054 0.000 2.285 241 E HA -0.121 4.227 4.350 -0.002 0.000 0.194 241 E C 1.977 178.605 176.600 0.047 0.000 0.997 241 E CA 0.241 56.662 56.400 0.036 0.000 0.845 241 E CB 0.080 29.788 29.700 0.013 0.000 0.782 241 E HN 0.108 nan 8.360 nan 0.000 0.491 242 L N 0.100 121.363 121.223 0.067 0.000 2.131 242 L HA -0.095 4.244 4.340 -0.002 0.000 0.206 242 L C 2.177 179.093 176.870 0.076 0.000 1.087 242 L CA 1.312 56.188 54.840 0.060 0.000 0.767 242 L CB -0.411 41.690 42.059 0.070 0.000 0.917 242 L HN 0.041 nan 8.230 nan 0.000 0.441 243 Y N -0.018 120.257 120.300 -0.040 0.000 2.128 243 Y HA -0.214 4.334 4.550 -0.002 0.000 0.284 243 Y C 2.368 178.234 175.900 -0.057 0.000 1.154 243 Y CA 1.914 59.980 58.100 -0.056 0.000 1.149 243 Y CB -0.910 37.535 38.460 -0.026 0.000 0.976 243 Y HN 0.034 nan 8.280 nan 0.000 0.505 244 V N 0.871 120.742 119.914 -0.071 0.000 2.282 244 V HA -0.347 3.771 4.120 -0.002 0.000 0.249 244 V C 2.457 178.485 176.094 -0.110 0.000 1.057 244 V CA 2.340 64.540 62.300 -0.166 0.000 1.032 244 V CB -0.800 30.974 31.823 -0.082 0.000 0.645 244 V HN 0.475 nan 8.190 nan 0.000 0.447 245 E N 0.079 120.252 120.200 -0.045 0.000 2.023 245 E HA -0.244 4.105 4.350 -0.002 0.000 0.196 245 E C 2.248 178.819 176.600 -0.048 0.000 1.003 245 E CA 1.896 58.285 56.400 -0.019 0.000 0.809 245 E CB -0.200 29.517 29.700 0.029 0.000 0.755 245 E HN 0.570 nan 8.360 nan 0.000 0.449 246 L N 0.395 121.559 121.223 -0.097 0.000 2.042 246 L HA -0.204 4.135 4.340 -0.002 0.000 0.210 246 L C 2.748 179.555 176.870 -0.106 0.000 1.076 246 L CA 1.202 55.960 54.840 -0.137 0.000 0.749 246 L CB -0.598 41.344 42.059 -0.195 0.000 0.893 246 L HN 0.239 nan 8.230 nan 0.000 0.432 247 A N -0.090 122.646 122.820 -0.140 0.000 1.972 247 A HA -0.118 4.201 4.320 -0.002 0.000 0.219 247 A C 2.507 180.026 177.584 -0.108 0.000 1.169 247 A CA 1.696 53.631 52.037 -0.171 0.000 0.635 247 A CB -0.543 18.231 19.000 -0.377 0.000 0.810 247 A HN 0.425 nan 8.150 nan 0.000 0.446 248 A N -0.346 122.420 122.820 -0.089 0.000 1.872 248 A HA -0.037 4.282 4.320 -0.002 0.000 0.214 248 A C 2.157 179.736 177.584 -0.008 0.000 1.187 248 A CA 1.768 53.779 52.037 -0.043 0.000 0.614 248 A CB -0.384 18.596 19.000 -0.034 0.000 0.826 248 A HN 0.397 nan 8.150 nan 0.000 0.442 249 R N 0.314 120.812 120.500 -0.003 0.000 2.120 249 R HA -0.049 4.289 4.340 -0.002 0.000 0.234 249 R C 2.152 178.471 176.300 0.032 0.000 1.123 249 R CA 1.818 57.936 56.100 0.030 0.000 0.975 249 R CB -0.655 29.676 30.300 0.052 0.000 0.866 249 R HN 0.577 nan 8.270 nan 0.000 0.446 250 R N -0.635 119.856 120.500 -0.014 0.000 2.073 250 R HA 0.003 4.342 4.340 -0.002 0.000 0.229 250 R C 1.944 178.307 176.300 0.105 0.000 1.120 250 R CA 1.687 57.776 56.100 -0.018 0.000 0.967 250 R CB -0.246 29.979 30.300 -0.124 0.000 0.862 250 R HN 0.186 nan 8.270 nan 0.000 0.436 251 S N 0.619 116.355 115.700 0.059 0.000 2.370 251 S HA -0.188 4.281 4.470 -0.002 0.000 0.226 251 S C 1.644 176.299 174.600 0.091 0.000 1.033 251 S CA 1.708 59.952 58.200 0.073 0.000 1.011 251 S CB -0.221 62.996 63.200 0.028 0.000 0.852 251 S HN 0.415 nan 8.310 nan 0.000 0.457 252 E N 1.374 121.622 120.200 0.080 0.000 2.072 252 E HA -0.012 4.337 4.350 -0.002 0.000 0.191 252 E C 1.838 178.503 176.600 0.108 0.000 0.985 252 E CA 0.923 57.370 56.400 0.078 0.000 0.801 252 E CB -0.349 29.387 29.700 0.061 0.000 0.750 252 E HN 0.462 nan 8.360 nan 0.000 0.452 253 L N -0.012 121.306 121.223 0.158 0.000 2.141 253 L HA -0.102 4.237 4.340 -0.002 0.000 0.209 253 L C 2.357 179.346 176.870 0.198 0.000 1.094 253 L CA 0.513 55.475 54.840 0.204 0.000 0.763 253 L CB -0.381 41.868 42.059 0.317 0.000 0.908 253 L HN 0.254 nan 8.230 nan 0.000 0.437 254 L N 0.024 121.378 121.223 0.218 0.000 2.056 254 L HA -0.169 4.170 4.340 -0.002 0.000 0.207 254 L C 2.740 179.682 176.870 0.120 0.000 1.078 254 L CA 1.568 56.495 54.840 0.145 0.000 0.749 254 L CB -0.549 41.614 42.059 0.172 0.000 0.901 254 L HN 0.106 nan 8.230 nan 0.000 0.433 255 R N -0.330 120.232 120.500 0.103 0.000 2.080 255 R HA -0.212 4.127 4.340 -0.002 0.000 0.236 255 R C 2.327 178.664 176.300 0.063 0.000 1.137 255 R CA 2.018 58.163 56.100 0.074 0.000 0.943 255 R CB -0.167 30.167 30.300 0.057 0.000 0.846 255 R HN 0.352 nan 8.270 nan 0.000 0.431 256 K N 0.272 120.709 120.400 0.062 0.000 2.009 256 K HA -0.159 4.160 4.320 -0.002 0.000 0.210 256 K C 2.239 178.851 176.600 0.020 0.000 1.049 256 K CA 1.742 58.049 56.287 0.033 0.000 0.929 256 K CB -0.265 32.259 32.500 0.040 0.000 0.714 256 K HN 0.216 nan 8.250 nan 0.000 0.440 257 L N 0.881 122.156 121.223 0.086 0.000 2.046 257 L HA -0.172 4.167 4.340 -0.002 0.000 0.208 257 L C 2.518 179.477 176.870 0.148 0.000 1.077 257 L CA 1.671 56.598 54.840 0.145 0.000 0.747 257 L CB -0.924 41.340 42.059 0.341 0.000 0.896 257 L HN 0.391 nan 8.230 nan 0.000 0.432 258 T N -3.928 110.741 114.554 0.192 0.000 3.163 258 T HA -0.125 4.224 4.350 -0.002 0.000 0.260 258 T C 1.555 176.300 174.700 0.076 0.000 1.156 258 T CA 0.628 62.843 62.100 0.192 0.000 1.072 258 T CB -0.002 68.974 68.868 0.180 0.000 0.937 258 T HN 0.283 nan 8.240 nan 0.000 0.528 259 E N 1.078 121.280 120.200 0.004 0.000 2.201 259 E HA -0.013 4.336 4.350 -0.002 0.000 0.193 259 E C 1.937 178.463 176.600 -0.122 0.000 0.957 259 E CA 0.789 57.167 56.400 -0.036 0.000 0.858 259 E CB -0.129 29.550 29.700 -0.036 0.000 0.816 259 E HN 0.476 nan 8.360 nan 0.000 0.475 260 T N 0.574 114.979 114.554 -0.248 0.000 2.701 260 T HA -0.046 4.303 4.350 -0.002 0.000 0.263 260 T C 0.288 174.629 174.700 -0.599 0.000 1.040 260 T CA 0.926 62.715 62.100 -0.518 0.000 1.147 260 T CB -0.163 68.184 68.868 -0.867 0.000 0.865 260 T HN -0.026 nan 8.240 nan 0.000 0.426 261 F N 1.649 121.450 119.950 -0.249 0.000 2.332 261 F HA 0.596 5.122 4.527 -0.002 0.000 0.368 261 F C 0.955 176.682 175.800 -0.121 0.000 1.110 261 F CA -1.692 56.102 58.000 -0.344 0.000 1.087 261 F CB 0.456 38.881 39.000 -0.958 0.000 1.235 261 F HN 0.028 nan 8.300 nan 0.000 0.470 262 G N 1.222 110.098 108.800 0.125 0.000 2.616 262 G HA2 0.427 4.386 3.960 -0.002 0.000 0.268 262 G HA3 0.427 4.386 3.960 -0.002 0.000 0.268 262 G C -0.059 175.003 174.900 0.271 0.000 1.213 262 G CA -0.580 44.615 45.100 0.158 0.000 0.926 262 G HN 0.661 nan 8.290 nan 0.000 0.523 263 S N -1.098 114.694 115.700 0.153 0.000 2.634 263 S HA 0.704 5.172 4.470 -0.002 0.000 0.261 263 S C -0.539 174.072 174.600 0.019 0.000 1.271 263 S CA -0.111 58.056 58.200 -0.055 0.000 0.985 263 S CB 0.778 63.745 63.200 -0.390 0.000 0.968 263 S HN 1.209 nan 8.310 nan 0.000 0.568 264 W N -2.038 118.994 121.300 -0.447 0.000 2.959 264 W HA 0.704 5.363 4.660 -0.002 0.000 0.358 264 W C -2.396 173.845 176.519 -0.463 0.000 1.228 264 W CA -1.479 55.669 57.345 -0.328 0.000 1.183 264 W CB 0.281 29.651 29.460 -0.150 0.000 1.467 264 W HN 0.567 nan 8.180 nan 0.000 0.578 265 Y N 1.940 122.265 120.300 0.042 0.000 2.387 265 Y HA 0.541 5.090 4.550 -0.002 0.000 0.330 265 Y C 0.518 176.495 175.900 0.128 0.000 1.133 265 Y CA -0.609 57.483 58.100 -0.012 0.000 1.152 265 Y CB 1.913 40.407 38.460 0.056 0.000 1.215 265 Y HN 0.346 nan 8.280 nan 0.000 0.466 266 Q N 2.949 122.880 119.800 0.218 0.000 2.421 266 Q HA 0.408 4.746 4.340 -0.002 0.000 0.280 266 Q C -2.802 173.294 176.000 0.159 0.000 1.085 266 Q CA -2.512 53.412 55.803 0.202 0.000 0.807 266 Q CB 2.684 31.523 28.738 0.168 0.000 1.405 266 Q HN 0.318 nan 8.270 nan 0.000 0.419 267 P HA 0.139 nan 4.420 nan 0.000 0.271 267 P C -1.219 176.131 177.300 0.085 0.000 1.216 267 P CA -0.060 63.098 63.100 0.096 0.000 0.771 267 P CB 0.542 32.288 31.700 0.077 0.000 0.864 268 K N 2.122 122.567 120.400 0.075 0.000 2.587 268 K HA 0.531 4.850 4.320 -0.002 0.000 0.256 268 K C 0.119 176.751 176.600 0.052 0.000 0.974 268 K CA 0.113 56.438 56.287 0.064 0.000 0.855 268 K CB 0.423 32.966 32.500 0.072 0.000 1.292 268 K HN 0.504 nan 8.250 nan 0.000 0.444 269 G N 1.922 110.743 108.800 0.036 0.000 2.131 269 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.223 269 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.223 269 G C 0.377 175.274 174.900 -0.005 0.000 0.990 269 G CA -0.214 44.900 45.100 0.022 0.000 0.671 269 G HN 0.964 nan 8.290 nan 0.000 0.521 270 G N 0.290 109.086 108.800 -0.006 0.000 2.354 270 G HA2 0.536 4.495 3.960 -0.002 0.000 0.266 270 G HA3 0.536 4.495 3.960 -0.002 0.000 0.266 270 G C 0.943 175.833 174.900 -0.017 0.000 1.242 270 G CA 0.961 46.044 45.100 -0.029 0.000 0.923 270 G HN 1.230 nan 8.290 nan 0.000 0.476 271 T N -0.575 113.959 114.554 -0.035 0.000 3.174 271 T HA 0.379 4.727 4.350 -0.002 0.000 0.269 271 T C 0.225 174.919 174.700 -0.009 0.000 1.017 271 T CA -0.289 61.800 62.100 -0.018 0.000 0.899 271 T CB 0.087 68.941 68.868 -0.024 0.000 1.077 271 T HN 0.542 nan 8.240 nan 0.000 0.552 272 E N 1.035 121.235 120.200 -0.001 0.000 2.335 272 E HA 0.434 4.783 4.350 -0.002 0.000 0.280 272 E C -1.224 175.408 176.600 0.053 0.000 0.918 272 E CA -1.019 55.392 56.400 0.017 0.000 0.765 272 E CB 1.915 31.620 29.700 0.008 0.000 1.218 272 E HN 0.187 nan 8.360 nan 0.000 0.425 273 M N 3.159 122.792 119.600 0.056 0.000 2.252 273 M HA 0.200 4.678 4.480 -0.002 0.000 0.348 273 M C -1.079 175.293 176.300 0.119 0.000 1.334 273 M CA -0.114 55.237 55.300 0.086 0.000 1.071 273 M CB 0.151 32.782 32.600 0.053 0.000 1.763 273 M HN 0.500 nan 8.290 nan 0.000 0.452 274 F N 5.664 125.620 119.950 0.011 0.000 2.456 274 F HA 0.431 4.957 4.527 -0.002 0.000 0.358 274 F C -0.820 174.972 175.800 -0.012 0.000 1.095 274 F CA -0.623 57.363 58.000 -0.023 0.000 1.216 274 F CB 0.370 39.333 39.000 -0.061 0.000 1.125 274 F HN 0.605 nan 8.300 nan 0.000 0.549 275 C N 6.141 124.952 119.300 -0.816 0.000 2.369 275 C HA 0.252 4.711 4.460 -0.002 0.000 0.322 275 C C -0.182 174.376 174.990 -0.720 0.000 1.258 275 C CA -0.877 57.791 59.018 -0.583 0.000 1.487 275 C CB 0.394 27.972 27.740 -0.271 0.000 2.165 275 C HN 0.891 nan 8.230 nan 0.000 0.483 276 H N 3.949 122.704 119.070 -0.525 0.000 3.157 276 H HA 0.013 4.568 4.556 -0.002 0.000 0.299 276 H C -1.480 173.699 175.328 -0.248 0.000 0.961 276 H CA -0.699 55.143 56.048 -0.344 0.000 1.428 276 H CB 0.915 30.585 29.762 -0.152 0.000 1.459 276 H HN 0.449 nan 8.280 nan 0.000 0.566 277 P HA -0.159 nan 4.420 nan 0.000 0.219 277 P C 1.328 178.602 177.300 -0.043 0.000 1.146 277 P CA 1.190 64.310 63.100 0.034 0.000 0.808 277 P CB 0.149 31.897 31.700 0.081 0.000 0.779 278 R N -0.683 119.711 120.500 -0.176 0.000 2.064 278 R HA -0.020 4.319 4.340 -0.002 0.000 0.221 278 R C 1.985 178.069 176.300 -0.361 0.000 1.136 278 R CA 1.959 57.871 56.100 -0.313 0.000 0.980 278 R CB -0.468 29.631 30.300 -0.335 0.000 0.876 278 R HN 0.215 nan 8.270 nan 0.000 0.437 279 T N -4.047 110.171 114.554 -0.560 0.000 3.037 279 T HA 0.203 4.552 4.350 -0.002 0.000 0.252 279 T C 1.289 175.880 174.700 -0.182 0.000 1.073 279 T CA 0.687 62.606 62.100 -0.302 0.000 1.091 279 T CB 0.807 69.515 68.868 -0.266 0.000 0.935 279 T HN 0.417 nan 8.240 nan 0.000 0.488 280 G N 1.759 110.454 108.800 -0.174 0.000 2.176 280 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.253 280 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.253 280 G C 0.001 174.855 174.900 -0.077 0.000 0.979 280 G CA 0.261 45.295 45.100 -0.110 0.000 0.641 280 G HN 0.877 nan 8.290 nan 0.000 0.530 281 K N 1.389 121.757 120.400 -0.054 0.000 2.447 281 K HA 0.342 4.661 4.320 -0.002 0.000 0.281 281 K C -2.203 174.397 176.600 -0.001 0.000 1.031 281 K CA -1.141 55.142 56.287 -0.006 0.000 1.019 281 K CB 0.490 33.013 32.500 0.038 0.000 0.918 281 K HN 0.081 nan 8.250 nan 0.000 0.476 282 P HA 0.035 nan 4.420 nan 0.000 0.271 282 P C -0.955 176.385 177.300 0.066 0.000 1.216 282 P CA 0.055 63.161 63.100 0.012 0.000 0.776 282 P CB 0.525 32.236 31.700 0.018 0.000 0.881 283 L N 5.596 126.887 121.223 0.114 0.000 2.581 283 L HA 0.274 4.613 4.340 -0.002 0.000 0.241 283 L C -1.635 175.389 176.870 0.257 0.000 1.265 283 L CA -1.553 53.425 54.840 0.231 0.000 0.954 283 L CB 1.296 43.594 42.059 0.399 0.000 1.269 283 L HN 0.242 nan 8.230 nan 0.000 0.475 284 P HA -0.261 nan 4.420 nan 0.000 0.218 284 P C 1.407 178.778 177.300 0.119 0.000 1.154 284 P CA 1.484 64.658 63.100 0.122 0.000 0.872 284 P CB 0.173 31.919 31.700 0.076 0.000 0.790 285 K N -2.360 118.095 120.400 0.091 0.000 2.281 285 K HA -0.162 4.157 4.320 -0.002 0.000 0.203 285 K C 0.461 177.053 176.600 -0.013 0.000 1.046 285 K CA 1.015 57.308 56.287 0.010 0.000 0.938 285 K CB -1.074 31.388 32.500 -0.064 0.000 0.737 285 K HN 0.098 nan 8.250 nan 0.000 0.458 286 Y N 1.950 122.289 120.300 0.065 0.000 2.346 286 Y HA 0.218 4.767 4.550 -0.002 0.000 0.330 286 Y C -1.901 174.008 175.900 0.016 0.000 1.178 286 Y CA -2.621 55.498 58.100 0.031 0.000 1.331 286 Y CB 0.391 38.892 38.460 0.068 0.000 1.253 286 Y HN -0.023 nan 8.280 nan 0.000 0.529 287 P HA 0.016 nan 4.420 nan 0.000 0.265 287 P C -0.544 176.801 177.300 0.076 0.000 1.187 287 P CA 0.110 63.262 63.100 0.086 0.000 0.766 287 P CB 0.492 32.226 31.700 0.055 0.000 0.820 288 R N 2.459 122.995 120.500 0.061 0.000 2.738 288 R HA 0.310 4.649 4.340 -0.002 0.000 0.268 288 R C 0.862 177.160 176.300 -0.004 0.000 1.062 288 R CA -0.136 55.995 56.100 0.053 0.000 1.158 288 R CB 0.030 30.351 30.300 0.036 0.000 1.046 288 R HN 0.544 nan 8.270 nan 0.000 0.493 289 I N -2.231 118.336 120.570 -0.005 0.000 3.654 289 I HA 0.630 4.799 4.170 -0.002 0.000 0.278 289 I C -0.676 175.337 176.117 -0.175 0.000 1.193 289 I CA -1.129 60.113 61.300 -0.097 0.000 1.087 289 I CB 1.770 39.767 38.000 -0.005 0.000 1.372 289 I HN 0.367 nan 8.210 nan 0.000 0.507 290 K N 0.292 120.507 120.400 -0.309 0.000 2.561 290 K HA 0.442 4.761 4.320 -0.002 0.000 0.254 290 K C -1.731 174.746 176.600 -0.205 0.000 0.942 290 K CA -0.379 55.717 56.287 -0.320 0.000 0.818 290 K CB 2.232 34.398 32.500 -0.556 0.000 1.306 290 K HN 0.795 nan 8.250 nan 0.000 0.435 291 T N 5.423 119.948 114.554 -0.048 0.000 2.772 291 T HA 0.353 4.702 4.350 -0.002 0.000 0.288 291 T C -2.519 172.220 174.700 0.065 0.000 0.994 291 T CA -1.323 60.806 62.100 0.048 0.000 0.951 291 T CB 1.157 70.047 68.868 0.038 0.000 0.933 291 T HN 0.424 nan 8.240 nan 0.000 0.447 292 P HA 0.228 nan 4.420 nan 0.000 0.264 292 P C -0.700 176.620 177.300 0.034 0.000 1.193 292 P CA -0.147 62.996 63.100 0.071 0.000 0.763 292 P CB 0.478 32.272 31.700 0.157 0.000 0.810 293 K N 2.018 122.415 120.400 -0.006 0.000 2.385 293 K HA 0.331 4.650 4.320 -0.002 0.000 0.341 293 K C -1.437 175.152 176.600 -0.018 0.000 1.328 293 K CA -0.350 55.936 56.287 -0.002 0.000 1.154 293 K CB 0.929 33.433 32.500 0.006 0.000 1.409 293 K HN 0.381 nan 8.250 nan 0.000 0.464 294 V N -0.265 119.666 119.914 0.028 0.000 3.095 294 V HA 0.288 4.407 4.120 -0.002 0.000 0.449 294 V C 0.097 176.224 176.094 0.055 0.000 0.688 294 V CA -0.388 61.930 62.300 0.030 0.000 1.979 294 V CB -0.065 31.768 31.823 0.016 0.000 2.456 294 V HN 1.307 nan 8.190 nan 0.000 0.491 295 G N 0.897 109.730 108.800 0.055 0.000 2.459 295 G HA2 0.699 4.657 3.960 -0.002 0.000 0.685 295 G HA3 0.699 4.657 3.960 -0.002 0.000 0.685 295 G C -0.131 174.802 174.900 0.055 0.000 1.303 295 G CA 0.436 45.579 45.100 0.072 0.000 0.907 295 G HN 2.947 nan 8.290 nan 0.000 0.632 316 D N 0.597 120.997 120.400 0.000 0.000 2.422 316 D HA 0.171 4.810 4.640 -0.002 0.000 0.227 316 D C 0.867 177.165 176.300 -0.002 0.000 1.190 316 D CA 0.081 54.084 54.000 0.004 0.000 0.905 316 D CB 1.318 42.124 40.800 0.010 0.000 1.034 316 D HN 0.484 nan 8.370 nan 0.000 0.507 317 T N 2.986 117.538 114.554 -0.002 0.000 2.881 317 T HA -0.090 4.259 4.350 -0.002 0.000 0.270 317 T C 1.041 175.733 174.700 -0.013 0.000 1.068 317 T CA 0.508 62.602 62.100 -0.010 0.000 1.131 317 T CB -0.017 68.847 68.868 -0.007 0.000 0.871 317 T HN 0.350 nan 8.240 nan 0.000 0.479 318 R N 2.253 122.757 120.500 0.006 0.000 2.678 318 R HA -0.024 4.315 4.340 -0.002 0.000 0.264 318 R C 1.023 177.308 176.300 -0.026 0.000 0.995 318 R CA 0.411 56.526 56.100 0.024 0.000 1.098 318 R CB 0.196 30.539 30.300 0.071 0.000 0.949 318 R HN 0.561 nan 8.270 nan 0.000 0.422 319 E N 2.522 122.669 120.200 -0.089 0.000 2.411 319 E HA 0.087 4.436 4.350 -0.002 0.000 0.228 319 E C -1.018 175.193 176.600 -0.648 0.000 1.169 319 E CA -0.098 56.107 56.400 -0.324 0.000 1.421 319 E CB 0.242 29.697 29.700 -0.409 0.000 1.333 319 E HN 0.416 nan 8.360 nan 0.000 0.434 320 Y N -1.506 118.753 120.300 -0.068 0.000 2.625 320 Y HA 0.296 4.845 4.550 -0.002 0.000 0.338 320 Y C 0.379 176.265 175.900 -0.024 0.000 1.123 320 Y CA -0.960 57.102 58.100 -0.064 0.000 1.046 320 Y CB 1.827 40.259 38.460 -0.046 0.000 1.299 320 Y HN -0.146 nan 8.280 nan 0.000 0.464 321 V N -0.499 119.522 119.914 0.178 0.000 4.255 321 V HA 0.636 4.755 4.120 -0.002 0.000 0.186 321 V C 0.559 176.714 176.094 0.101 0.000 1.068 321 V CA 0.960 63.323 62.300 0.105 0.000 1.418 321 V CB 0.499 32.364 31.823 0.071 0.000 1.876 321 V HN 0.915 nan 8.190 nan 0.000 0.469 322 A N -0.708 122.171 122.820 0.098 0.000 2.134 322 A HA 0.408 4.727 4.320 -0.002 0.000 0.169 322 A C 1.539 179.169 177.584 0.076 0.000 1.465 322 A CA 0.851 52.933 52.037 0.076 0.000 1.855 322 A CB -0.616 18.415 19.000 0.052 0.000 1.812 322 A HN 0.785 nan 8.150 nan 0.000 0.866 323 G N 0.254 109.095 108.800 0.069 0.000 3.502 323 G HA2 0.500 4.458 3.960 -0.002 0.000 0.267 323 G HA3 0.500 4.458 3.960 -0.002 0.000 0.267 323 G C 0.346 175.297 174.900 0.085 0.000 1.090 323 G CA 1.024 46.163 45.100 0.065 0.000 0.795 323 G HN 1.205 nan 8.290 nan 0.000 0.535 324 A N 2.436 125.323 122.820 0.111 0.000 2.621 324 A HA 0.642 4.960 4.320 -0.002 0.000 0.329 324 A C -2.012 175.693 177.584 0.203 0.000 1.458 324 A CA -1.335 50.780 52.037 0.130 0.000 1.052 324 A CB 0.450 19.515 19.000 0.107 0.000 1.142 324 A HN 0.208 nan 8.150 nan 0.000 0.523 325 P HA 0.332 nan 4.420 nan 0.000 0.271 325 P C -1.090 176.367 177.300 0.262 0.000 1.218 325 P CA 0.392 63.613 63.100 0.202 0.000 0.780 325 P CB 0.574 32.373 31.700 0.164 0.000 0.901 326 Y N -1.780 118.563 120.300 0.071 0.000 2.715 326 Y HA 0.717 5.266 4.550 -0.002 0.000 0.331 326 Y C -0.943 174.970 175.900 0.022 0.000 1.197 326 Y CA -1.244 56.880 58.100 0.040 0.000 1.079 326 Y CB 0.364 38.867 38.460 0.072 0.000 1.298 326 Y HN 0.177 nan 8.280 nan 0.000 0.477 327 T N 3.855 118.461 114.554 0.087 0.000 2.864 327 T HA 0.384 4.732 4.350 -0.002 0.000 0.310 327 T C -2.916 171.840 174.700 0.093 0.000 1.040 327 T CA -1.317 60.768 62.100 -0.026 0.000 0.977 327 T CB 0.921 69.774 68.868 -0.025 0.000 0.976 327 T HN 0.450 nan 8.240 nan 0.000 0.459 328 P HA 0.264 nan 4.420 nan 0.000 0.267 328 P C -0.409 176.961 177.300 0.117 0.000 1.205 328 P CA -0.199 62.989 63.100 0.145 0.000 0.765 328 P CB 0.774 32.521 31.700 0.077 0.000 0.828 329 V N 0.494 120.494 119.914 0.144 0.000 3.158 329 V HA 0.798 4.917 4.120 -0.002 0.000 0.311 329 V C -0.530 175.691 176.094 0.212 0.000 1.181 329 V CA -1.182 61.216 62.300 0.163 0.000 1.054 329 V CB 2.166 34.086 31.823 0.162 0.000 1.085 329 V HN 0.692 nan 8.190 nan 0.000 0.446 330 E N 0.201 120.547 120.200 0.244 0.000 2.393 330 E HA 0.468 4.817 4.350 -0.002 0.000 0.273 330 E C -1.385 175.293 176.600 0.130 0.000 0.918 330 E CA -0.856 55.666 56.400 0.203 0.000 0.773 330 E CB 2.142 31.892 29.700 0.084 0.000 1.275 330 E HN 0.915 nan 8.360 nan 0.000 0.451 331 H N 1.695 120.692 119.070 -0.123 0.000 2.527 331 H HA 0.424 4.979 4.556 -0.002 0.000 0.321 331 H C -1.391 173.662 175.328 -0.459 0.000 1.087 331 H CA -0.485 55.236 56.048 -0.545 0.000 1.337 331 H CB 1.701 31.195 29.762 -0.447 0.000 1.440 331 H HN 0.359 nan 8.280 nan 0.000 0.490 332 V N 6.730 126.047 119.914 -0.996 0.000 2.577 332 V HA 0.342 4.461 4.120 -0.002 0.000 0.303 332 V C -1.154 174.336 176.094 -1.006 0.000 1.042 332 V CA -0.582 61.199 62.300 -0.865 0.000 0.872 332 V CB 1.587 32.836 31.823 -0.958 0.000 0.998 332 V HN 0.511 nan 8.190 nan 0.000 0.423 333 V N 6.888 126.526 119.914 -0.459 0.000 2.567 333 V HA 0.355 4.474 4.120 -0.002 0.000 0.289 333 V C 0.196 176.266 176.094 -0.039 0.000 1.049 333 V CA -0.515 61.664 62.300 -0.202 0.000 0.969 333 V CB 1.408 33.222 31.823 -0.015 0.000 0.995 333 V HN 0.860 nan 8.190 nan 0.000 0.471 334 F N 4.806 124.782 119.950 0.043 0.000 2.602 334 F HA 0.173 4.699 4.527 -0.002 0.000 0.385 334 F C 0.394 176.328 175.800 0.223 0.000 1.063 334 F CA 0.129 58.300 58.000 0.286 0.000 1.233 334 F CB 0.083 39.261 39.000 0.296 0.000 1.067 334 F HN 0.613 nan 8.300 nan 0.000 0.564 335 N N 8.116 126.626 118.700 -0.318 0.000 2.518 335 N HA 0.400 5.139 4.740 -0.002 0.000 0.254 335 N C -2.330 172.619 175.510 -0.936 0.000 0.979 335 N CA -2.559 50.170 53.050 -0.534 0.000 0.930 335 N CB 1.774 40.044 38.487 -0.362 0.000 1.152 335 N HN 0.189 nan 8.380 nan 0.000 0.505 336 P HA -0.051 nan 4.420 nan 0.000 0.219 336 P C 0.707 177.782 177.300 -0.375 0.000 1.146 336 P CA 1.036 63.663 63.100 -0.789 0.000 0.808 336 P CB 0.409 31.500 31.700 -1.015 0.000 0.779 337 S N -1.480 114.071 115.700 -0.248 0.000 2.453 337 S HA -0.022 4.447 4.470 -0.002 0.000 0.231 337 S C 1.145 175.654 174.600 -0.152 0.000 1.005 337 S CA 0.389 58.546 58.200 -0.071 0.000 0.949 337 S CB -0.552 62.656 63.200 0.013 0.000 0.774 337 S HN 0.118 nan 8.310 nan 0.000 0.510 338 S N 1.831 117.355 115.700 -0.294 0.000 2.448 338 S HA 0.196 4.665 4.470 -0.002 0.000 0.279 338 S C 1.241 175.737 174.600 -0.173 0.000 1.195 338 S CA -0.742 57.275 58.200 -0.305 0.000 1.051 338 S CB 0.240 63.030 63.200 -0.683 0.000 0.948 338 S HN 0.193 nan 8.310 nan 0.000 0.493 339 R N 3.312 123.762 120.500 -0.083 0.000 2.148 339 R HA -0.058 4.281 4.340 -0.002 0.000 0.227 339 R C 1.473 177.787 176.300 0.023 0.000 1.103 339 R CA 0.979 57.064 56.100 -0.025 0.000 0.983 339 R CB -0.765 29.531 30.300 -0.006 0.000 0.874 339 R HN 0.684 nan 8.270 nan 0.000 0.451 340 D N 0.431 120.854 120.400 0.038 0.000 2.078 340 D HA -0.151 4.488 4.640 -0.002 0.000 0.193 340 D C 1.801 178.215 176.300 0.189 0.000 0.990 340 D CA 1.386 55.454 54.000 0.115 0.000 0.827 340 D CB -0.202 40.691 40.800 0.155 0.000 0.975 340 D HN 0.404 nan 8.370 nan 0.000 0.451 341 H N -0.215 118.884 119.070 0.048 0.000 2.319 341 H HA -0.117 4.438 4.556 -0.002 0.000 0.297 341 H C 2.477 177.848 175.328 0.070 0.000 1.097 341 H CA 1.031 57.137 56.048 0.096 0.000 1.285 341 H CB 0.042 29.887 29.762 0.138 0.000 1.368 341 H HN 0.213 nan 8.280 nan 0.000 0.495 342 I N 0.852 121.528 120.570 0.178 0.000 2.127 342 I HA -0.308 3.860 4.170 -0.002 0.000 0.241 342 I C 2.883 178.992 176.117 -0.013 0.000 1.075 342 I CA 1.253 62.590 61.300 0.061 0.000 1.334 342 I CB -0.389 37.610 38.000 -0.002 0.000 1.040 342 I HN 0.326 nan 8.210 nan 0.000 0.405 343 Q N 2.081 121.911 119.800 0.050 0.000 2.181 343 Q HA -0.282 4.057 4.340 -0.002 0.000 0.205 343 Q C 2.031 178.089 176.000 0.096 0.000 0.980 343 Q CA 1.944 57.830 55.803 0.139 0.000 0.862 343 Q CB -0.234 28.594 28.738 0.150 0.000 0.905 343 Q HN 0.526 nan 8.270 nan 0.000 0.429 344 K N -0.349 120.048 120.400 -0.006 0.000 2.116 344 K HA -0.079 4.240 4.320 -0.002 0.000 0.203 344 K C 1.913 178.410 176.600 -0.173 0.000 1.052 344 K CA 0.716 56.937 56.287 -0.110 0.000 0.952 344 K CB 0.172 32.534 32.500 -0.230 0.000 0.729 344 K HN -0.040 nan 8.250 nan 0.000 0.446 345 K N 0.904 121.168 120.400 -0.227 0.000 2.116 345 K HA -0.001 4.317 4.320 -0.002 0.000 0.203 345 K C 2.114 178.623 176.600 -0.151 0.000 1.052 345 K CA 0.798 56.905 56.287 -0.299 0.000 0.952 345 K CB -0.125 31.961 32.500 -0.690 0.000 0.729 345 K HN 0.238 nan 8.250 nan 0.000 0.446 346 L N 0.962 122.124 121.223 -0.102 0.000 2.217 346 L HA -0.115 4.224 4.340 -0.002 0.000 0.211 346 L C 2.505 179.493 176.870 0.197 0.000 1.107 346 L CA 0.954 55.808 54.840 0.023 0.000 0.783 346 L CB -0.327 41.679 42.059 -0.089 0.000 0.919 346 L HN 0.218 nan 8.230 nan 0.000 0.442 347 Q N 0.082 120.002 119.800 0.201 0.000 2.083 347 Q HA -0.203 4.136 4.340 -0.002 0.000 0.198 347 Q C 1.991 178.029 176.000 0.064 0.000 0.969 347 Q CA 1.262 57.158 55.803 0.155 0.000 0.838 347 Q CB 0.033 28.809 28.738 0.063 0.000 0.900 347 Q HN 0.511 nan 8.270 nan 0.000 0.436 348 E N 0.276 120.483 120.200 0.012 0.000 2.204 348 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 348 E C 1.524 178.136 176.600 0.020 0.000 0.990 348 E CA 0.843 57.234 56.400 -0.013 0.000 0.821 348 E CB 0.051 29.713 29.700 -0.064 0.000 0.750 348 E HN 0.294 nan 8.360 nan 0.000 0.477 349 A N -0.461 122.390 122.820 0.052 0.000 2.208 349 A HA 0.246 4.565 4.320 -0.002 0.000 0.209 349 A C 1.597 179.228 177.584 0.079 0.000 1.161 349 A CA 0.902 52.980 52.037 0.069 0.000 0.782 349 A CB 0.069 19.127 19.000 0.097 0.000 0.816 349 A HN 0.332 nan 8.150 nan 0.000 0.477 350 G N -3.026 105.832 108.800 0.095 0.000 2.164 350 G HA2 -0.200 3.758 3.960 -0.002 0.000 0.154 350 G HA3 -0.200 3.758 3.960 -0.002 0.000 0.154 350 G C -0.244 174.753 174.900 0.161 0.000 1.014 350 G CA -0.132 45.026 45.100 0.096 0.000 0.683 350 G HN 0.640 nan 8.290 nan 0.000 0.500 351 W N 1.203 122.493 121.300 -0.017 0.000 2.316 351 W HA 0.639 5.298 4.660 -0.002 0.000 0.321 351 W C -0.390 176.119 176.519 -0.017 0.000 1.203 351 W CA -0.885 56.449 57.345 -0.018 0.000 1.214 351 W CB 1.489 30.932 29.460 -0.029 0.000 1.169 351 W HN 0.249 nan 8.180 nan 0.000 0.561 352 V N 8.760 128.331 119.914 -0.572 0.000 2.357 352 V HA 0.236 4.355 4.120 -0.002 0.000 0.281 352 V C -1.872 173.623 176.094 -0.997 0.000 1.015 352 V CA -1.910 60.017 62.300 -0.621 0.000 0.827 352 V CB 1.136 32.811 31.823 -0.248 0.000 1.018 352 V HN 0.469 nan 8.190 nan 0.000 0.432 353 P HA 0.101 nan 4.420 nan 0.000 0.266 353 P C 0.813 177.852 177.300 -0.436 0.000 1.193 353 P CA 0.371 62.740 63.100 -1.218 0.000 0.770 353 P CB 0.644 31.554 31.700 -1.317 0.000 0.836 354 T N -1.644 112.775 114.554 -0.226 0.000 2.969 354 T HA 0.200 4.549 4.350 -0.002 0.000 0.258 354 T C 0.261 175.042 174.700 0.135 0.000 0.962 354 T CA -0.074 62.059 62.100 0.054 0.000 0.903 354 T CB 0.104 68.995 68.868 0.038 0.000 1.177 354 T HN 0.180 nan 8.240 nan 0.000 0.511 355 K N 1.278 121.650 120.400 -0.047 0.000 2.307 355 K HA 0.598 4.917 4.320 -0.002 0.000 0.263 355 K C -1.610 174.895 176.600 -0.159 0.000 0.973 355 K CA -0.711 55.590 56.287 0.024 0.000 0.846 355 K CB 1.415 33.933 32.500 0.031 0.000 1.100 355 K HN 0.185 nan 8.250 nan 0.000 0.438 356 Y N -0.268 120.034 120.300 0.002 0.000 2.686 356 Y HA 0.360 4.909 4.550 -0.002 0.000 0.330 356 Y C 0.978 176.886 175.900 0.014 0.000 1.082 356 Y CA -0.959 57.142 58.100 0.002 0.000 1.158 356 Y CB 1.437 39.884 38.460 -0.021 0.000 1.333 356 Y HN 0.586 nan 8.280 nan 0.000 0.519 357 T N -3.553 111.110 114.554 0.181 0.000 2.938 357 T HA 0.297 4.646 4.350 -0.002 0.000 0.285 357 T C 0.147 174.902 174.700 0.091 0.000 1.028 357 T CA -0.579 61.585 62.100 0.106 0.000 1.005 357 T CB 1.164 70.078 68.868 0.076 0.000 1.157 357 T HN 0.480 nan 8.240 nan 0.000 0.550 358 D N 0.388 120.826 120.400 0.062 0.000 2.133 358 D HA -0.112 4.527 4.640 -0.002 0.000 0.192 358 D C 1.572 177.898 176.300 0.043 0.000 1.001 358 D CA 1.293 55.320 54.000 0.046 0.000 0.844 358 D CB -0.058 40.766 40.800 0.039 0.000 0.944 358 D HN 0.442 nan 8.370 nan 0.000 0.447 359 K N -0.286 120.143 120.400 0.049 0.000 2.551 359 K HA 0.163 4.482 4.320 -0.002 0.000 0.192 359 K C 1.299 177.932 176.600 0.055 0.000 1.027 359 K CA 0.670 56.984 56.287 0.045 0.000 1.059 359 K CB 0.358 32.885 32.500 0.043 0.000 0.831 359 K HN 0.321 nan 8.250 nan 0.000 0.508 360 G N 0.895 109.740 108.800 0.075 0.000 2.179 360 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.260 360 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.260 360 G C 0.312 175.324 174.900 0.187 0.000 0.977 360 G CA 0.325 45.486 45.100 0.101 0.000 0.641 360 G HN 0.536 nan 8.290 nan 0.000 0.533 361 A N 1.320 124.225 122.820 0.142 0.000 2.354 361 A HA 0.732 5.051 4.320 -0.002 0.000 0.269 361 A C -1.203 176.437 177.584 0.094 0.000 1.109 361 A CA -0.856 51.252 52.037 0.118 0.000 0.800 361 A CB 0.729 19.773 19.000 0.073 0.000 1.045 361 A HN 0.249 nan 8.150 nan 0.000 0.489 362 P HA 0.175 nan 4.420 nan 0.000 0.272 362 P C -0.491 176.766 177.300 -0.072 0.000 1.223 362 P CA -0.079 62.858 63.100 -0.273 0.000 0.784 362 P CB 0.727 32.214 31.700 -0.355 0.000 0.923 363 V N 3.033 122.904 119.914 -0.071 0.000 2.488 363 V HA 0.102 4.221 4.120 -0.002 0.000 0.277 363 V C 0.589 176.735 176.094 0.087 0.000 1.046 363 V CA -0.051 62.264 62.300 0.025 0.000 0.986 363 V CB 1.161 33.000 31.823 0.027 0.000 0.989 363 V HN 0.255 nan 8.190 nan 0.000 0.475 364 V N 5.580 125.526 119.914 0.052 0.000 2.320 364 V HA 0.418 4.536 4.120 -0.002 0.000 0.268 364 V C -0.564 175.527 176.094 -0.004 0.000 1.021 364 V CA -0.623 61.687 62.300 0.017 0.000 0.813 364 V CB 0.972 32.800 31.823 0.008 0.000 1.054 364 V HN 1.109 nan 8.190 nan 0.000 0.444 365 D N 0.300 120.695 120.400 -0.008 0.000 2.566 365 D HA 0.344 4.983 4.640 -0.002 0.000 0.254 365 D C 0.671 176.962 176.300 -0.016 0.000 1.090 365 D CA -0.736 53.261 54.000 -0.004 0.000 1.034 365 D CB 1.210 42.017 40.800 0.012 0.000 1.434 365 D HN 0.085 nan 8.370 nan 0.000 0.509 366 D N -0.787 119.610 120.400 -0.004 0.000 2.158 366 D HA -0.228 4.411 4.640 -0.002 0.000 0.197 366 D C 1.504 177.799 176.300 -0.007 0.000 0.995 366 D CA 1.441 55.438 54.000 -0.005 0.000 0.846 366 D CB 0.225 41.030 40.800 0.008 0.000 0.941 366 D HN 0.549 nan 8.370 nan 0.000 0.456 367 E N -0.278 119.924 120.200 0.004 0.000 2.038 367 E HA -0.192 4.157 4.350 -0.002 0.000 0.195 367 E C 2.247 178.849 176.600 0.005 0.000 1.000 367 E CA 1.814 58.221 56.400 0.011 0.000 0.803 367 E CB -0.041 29.673 29.700 0.024 0.000 0.750 367 E HN 0.326 nan 8.360 nan 0.000 0.448 368 V N -0.533 119.383 119.914 0.003 0.000 2.453 368 V HA -0.135 3.984 4.120 -0.002 0.000 0.247 368 V C 2.372 178.411 176.094 -0.091 0.000 1.048 368 V CA 1.099 63.400 62.300 0.002 0.000 1.049 368 V CB -0.543 31.315 31.823 0.059 0.000 0.672 368 V HN 0.226 nan 8.190 nan 0.000 0.457 369 L N 0.240 121.392 121.223 -0.118 0.000 2.127 369 L HA -0.143 4.196 4.340 -0.002 0.000 0.211 369 L C 2.757 179.557 176.870 -0.116 0.000 1.089 369 L CA 2.176 56.915 54.840 -0.167 0.000 0.757 369 L CB -0.521 41.471 42.059 -0.112 0.000 0.899 369 L HN 0.445 nan 8.230 nan 0.000 0.434 370 E N 0.103 120.266 120.200 -0.061 0.000 2.347 370 E HA -0.097 4.252 4.350 -0.002 0.000 0.196 370 E C 1.764 178.345 176.600 -0.033 0.000 1.008 370 E CA 0.975 57.353 56.400 -0.036 0.000 0.852 370 E CB 0.055 29.747 29.700 -0.013 0.000 0.783 370 E HN 0.316 nan 8.360 nan 0.000 0.505 371 G N -0.696 108.082 108.800 -0.037 0.000 3.159 371 G HA2 0.116 4.075 3.960 -0.002 0.000 0.232 371 G HA3 0.116 4.075 3.960 -0.002 0.000 0.232 371 G C -0.027 174.861 174.900 -0.019 0.000 1.116 371 G CA -0.216 44.879 45.100 -0.009 0.000 0.767 371 G HN 0.062 nan 8.290 nan 0.000 0.547 372 V N 2.088 121.929 119.914 -0.121 0.000 2.572 372 V HA 0.366 4.485 4.120 -0.002 0.000 0.291 372 V C -0.084 175.952 176.094 -0.097 0.000 1.039 372 V CA -0.124 62.045 62.300 -0.218 0.000 1.055 372 V CB 0.947 32.422 31.823 -0.579 0.000 0.969 372 V HN 0.165 nan 8.190 nan 0.000 0.482 373 R N 3.470 123.968 120.500 -0.003 0.000 2.621 373 R HA 0.776 5.115 4.340 -0.002 0.000 0.292 373 R C -0.812 175.520 176.300 0.054 0.000 0.969 373 R CA -0.464 55.650 56.100 0.023 0.000 0.887 373 R CB 1.952 32.278 30.300 0.044 0.000 1.180 373 R HN 0.628 nan 8.270 nan 0.000 0.450 374 V N -1.750 118.185 119.914 0.035 0.000 3.167 374 V HA 0.530 4.649 4.120 -0.002 0.000 0.310 374 V C 0.253 176.367 176.094 0.032 0.000 1.207 374 V CA -0.757 61.572 62.300 0.049 0.000 1.059 374 V CB 2.480 34.332 31.823 0.049 0.000 1.079 374 V HN 0.504 nan 8.190 nan 0.000 0.446 375 D N -0.078 120.341 120.400 0.032 0.000 2.165 375 D HA -0.024 4.615 4.640 -0.002 0.000 0.213 375 D C 0.597 176.901 176.300 0.007 0.000 0.983 375 D CA 1.389 55.400 54.000 0.018 0.000 0.881 375 D CB -0.109 40.701 40.800 0.018 0.000 1.028 375 D HN 0.860 nan 8.370 nan 0.000 0.457 376 D N 1.453 121.855 120.400 0.004 0.000 2.662 376 D HA -0.077 4.561 4.640 -0.002 0.000 0.237 376 D C -1.666 174.623 176.300 -0.019 0.000 1.154 376 D CA -0.852 53.140 54.000 -0.013 0.000 0.861 376 D CB 1.681 42.468 40.800 -0.022 0.000 1.146 376 D HN -0.071 nan 8.370 nan 0.000 0.518 377 P HA -0.112 nan 4.420 nan 0.000 0.216 377 P C 1.181 178.457 177.300 -0.041 0.000 1.153 377 P CA 0.890 63.975 63.100 -0.025 0.000 0.848 377 P CB 0.217 31.904 31.700 -0.022 0.000 0.787 378 E N 0.168 120.330 120.200 -0.063 0.000 2.085 378 E HA -0.237 4.112 4.350 -0.002 0.000 0.194 378 E C 1.719 178.240 176.600 -0.131 0.000 0.994 378 E CA 1.288 57.628 56.400 -0.099 0.000 0.801 378 E CB -0.156 29.468 29.700 -0.127 0.000 0.743 378 E HN -0.008 nan 8.360 nan 0.000 0.453 379 K N 0.327 120.654 120.400 -0.122 0.000 2.057 379 K HA -0.194 4.125 4.320 -0.002 0.000 0.207 379 K C 2.212 178.821 176.600 0.015 0.000 1.049 379 K CA 1.378 57.616 56.287 -0.083 0.000 0.931 379 K CB -0.399 32.105 32.500 0.006 0.000 0.714 379 K HN 0.159 nan 8.250 nan 0.000 0.440 380 Q N 1.049 120.848 119.800 -0.002 0.000 2.050 380 Q HA -0.056 4.283 4.340 -0.002 0.000 0.202 380 Q C 1.865 177.866 176.000 0.003 0.000 0.980 380 Q CA 2.034 57.839 55.803 0.002 0.000 0.840 380 Q CB -0.362 28.373 28.738 -0.004 0.000 0.898 380 Q HN 0.269 nan 8.270 nan 0.000 0.424 381 A N 0.162 122.977 122.820 -0.009 0.000 1.969 381 A HA 0.054 4.373 4.320 -0.002 0.000 0.218 381 A C 2.275 179.866 177.584 0.012 0.000 1.169 381 A CA 1.531 53.565 52.037 -0.004 0.000 0.635 381 A CB -1.046 17.944 19.000 -0.016 0.000 0.810 381 A HN 0.522 nan 8.150 nan 0.000 0.445 382 A N 0.349 123.173 122.820 0.006 0.000 1.940 382 A HA -0.149 4.170 4.320 -0.002 0.000 0.219 382 A C 2.045 179.706 177.584 0.128 0.000 1.176 382 A CA 1.533 53.602 52.037 0.053 0.000 0.631 382 A CB -0.670 18.332 19.000 0.005 0.000 0.814 382 A HN 0.525 nan 8.150 nan 0.000 0.446 383 I N -0.014 120.617 120.570 0.101 0.000 2.194 383 I HA -0.309 3.860 4.170 -0.002 0.000 0.246 383 I C 1.882 178.034 176.117 0.057 0.000 1.093 383 I CA 1.719 63.057 61.300 0.065 0.000 1.355 383 I CB -0.533 37.465 38.000 -0.003 0.000 1.046 383 I HN 0.326 nan 8.210 nan 0.000 0.413 384 D N 0.760 121.189 120.400 0.049 0.000 2.117 384 D HA -0.125 4.513 4.640 -0.002 0.000 0.197 384 D C 2.385 178.734 176.300 0.082 0.000 0.987 384 D CA 1.182 55.213 54.000 0.051 0.000 0.829 384 D CB -0.179 40.643 40.800 0.037 0.000 0.961 384 D HN 0.344 nan 8.370 nan 0.000 0.460 385 L N 0.656 121.938 121.223 0.099 0.000 2.083 385 L HA -0.143 4.196 4.340 -0.002 0.000 0.209 385 L C 2.594 179.575 176.870 0.184 0.000 1.083 385 L CA 0.695 55.616 54.840 0.136 0.000 0.752 385 L CB -0.347 41.790 42.059 0.131 0.000 0.899 385 L HN 0.028 nan 8.230 nan 0.000 0.433 386 I N -0.061 120.610 120.570 0.169 0.000 2.179 386 I HA -0.291 3.878 4.170 -0.002 0.000 0.242 386 I C 2.577 178.789 176.117 0.158 0.000 1.088 386 I CA 1.444 62.846 61.300 0.169 0.000 1.357 386 I CB -0.254 37.828 38.000 0.136 0.000 1.051 386 I HN 0.250 nan 8.210 nan 0.000 0.409 387 K N 0.440 120.903 120.400 0.106 0.000 2.057 387 K HA -0.242 4.077 4.320 -0.002 0.000 0.207 387 K C 2.024 178.686 176.600 0.104 0.000 1.049 387 K CA 1.543 57.880 56.287 0.083 0.000 0.931 387 K CB -0.216 32.313 32.500 0.048 0.000 0.714 387 K HN 0.361 nan 8.250 nan 0.000 0.440 388 E N 0.345 120.616 120.200 0.120 0.000 2.106 388 E HA -0.215 4.134 4.350 -0.002 0.000 0.192 388 E C 1.909 178.591 176.600 0.136 0.000 0.984 388 E CA 0.779 57.249 56.400 0.118 0.000 0.806 388 E CB -0.112 29.657 29.700 0.115 0.000 0.750 388 E HN 0.318 nan 8.360 nan 0.000 0.458 389 Y N 1.068 121.403 120.300 0.059 0.000 2.181 389 Y HA -0.183 4.366 4.550 -0.002 0.000 0.288 389 Y C 1.892 177.808 175.900 0.027 0.000 1.146 389 Y CA 1.681 59.810 58.100 0.049 0.000 1.164 389 Y CB -0.099 38.396 38.460 0.058 0.000 0.982 389 Y HN 0.037 nan 8.280 nan 0.000 0.515 390 L N -0.563 120.791 121.223 0.219 0.000 2.027 390 L HA -0.255 4.084 4.340 -0.002 0.000 0.206 390 L C 2.682 179.557 176.870 0.009 0.000 1.074 390 L CA 1.438 56.346 54.840 0.113 0.000 0.745 390 L CB -0.583 41.540 42.059 0.107 0.000 0.898 390 L HN 0.340 nan 8.230 nan 0.000 0.433 391 M N 0.134 119.750 119.600 0.027 0.000 2.149 391 M HA -0.217 4.262 4.480 -0.002 0.000 0.261 391 M C 2.209 178.500 176.300 -0.015 0.000 1.064 391 M CA 1.962 57.275 55.300 0.020 0.000 1.102 391 M CB -0.456 32.178 32.600 0.058 0.000 1.369 391 M HN 0.204 nan 8.290 nan 0.000 0.408 392 I N 0.039 120.574 120.570 -0.058 0.000 2.315 392 I HA -0.278 3.891 4.170 -0.002 0.000 0.248 392 I C 2.363 178.364 176.117 -0.194 0.000 1.117 392 I CA 1.054 62.278 61.300 -0.127 0.000 1.404 392 I CB -0.391 37.515 38.000 -0.158 0.000 1.071 392 I HN 0.329 nan 8.210 nan 0.000 0.419 393 Q N 1.376 121.030 119.800 -0.243 0.000 2.224 393 Q HA -0.220 4.119 4.340 -0.002 0.000 0.203 393 Q C 1.931 177.848 176.000 -0.139 0.000 0.970 393 Q CA 1.536 57.211 55.803 -0.212 0.000 0.865 393 Q CB -0.081 28.529 28.738 -0.213 0.000 0.922 393 Q HN 0.157 nan 8.270 nan 0.000 0.445 394 K N -0.315 120.020 120.400 -0.108 0.000 2.057 394 K HA -0.061 4.258 4.320 -0.002 0.000 0.206 394 K C 1.806 178.327 176.600 -0.130 0.000 1.050 394 K CA 1.209 57.441 56.287 -0.091 0.000 0.935 394 K CB 0.050 32.520 32.500 -0.050 0.000 0.715 394 K HN 0.060 nan 8.250 nan 0.000 0.439 395 R N 0.232 120.653 120.500 -0.132 0.000 2.062 395 R HA 0.040 4.379 4.340 -0.002 0.000 0.229 395 R C 2.442 178.602 176.300 -0.234 0.000 1.128 395 R CA 1.424 57.421 56.100 -0.172 0.000 0.960 395 R CB -0.756 29.447 30.300 -0.163 0.000 0.855 395 R HN 0.306 nan 8.270 nan 0.000 0.432 396 I N 0.339 120.795 120.570 -0.190 0.000 2.226 396 I HA -0.191 3.977 4.170 -0.002 0.000 0.245 396 I C 2.462 178.438 176.117 -0.235 0.000 1.100 396 I CA 1.576 62.774 61.300 -0.169 0.000 1.374 396 I CB -0.713 37.254 38.000 -0.056 0.000 1.057 396 I HN 0.258 nan 8.210 nan 0.000 0.413 397 G N -0.139 108.541 108.800 -0.200 0.000 2.440 397 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.218 397 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.218 397 G C 1.575 176.311 174.900 -0.274 0.000 1.154 397 G CA 0.821 45.805 45.100 -0.193 0.000 0.767 397 G HN 0.423 nan 8.290 nan 0.000 0.552 398 Q N 0.530 120.107 119.800 -0.371 0.000 2.137 398 Q HA -0.055 4.284 4.340 -0.002 0.000 0.198 398 Q C 2.670 178.067 176.000 -1.005 0.000 0.960 398 Q CA 1.775 57.231 55.803 -0.577 0.000 0.847 398 Q CB -0.049 28.354 28.738 -0.558 0.000 0.915 398 Q HN 0.585 nan 8.270 nan 0.000 0.448 399 S N -1.395 113.758 115.700 -0.911 0.000 2.456 399 S HA 0.259 4.728 4.470 -0.002 0.000 0.224 399 S C 1.501 175.879 174.600 -0.370 0.000 1.035 399 S CA 0.318 58.046 58.200 -0.785 0.000 0.940 399 S CB 0.665 63.606 63.200 -0.432 0.000 0.799 399 S HN 0.396 nan 8.310 nan 0.000 0.508 400 A N 1.338 123.892 122.820 -0.443 0.000 1.917 400 A HA 0.433 4.751 4.320 -0.002 0.000 0.200 400 A C 1.778 179.123 177.584 -0.398 0.000 1.671 400 A CA 0.269 51.983 52.037 -0.539 0.000 1.034 400 A CB -0.044 18.194 19.000 -1.270 0.000 1.057 400 A HN 0.363 nan 8.150 nan 0.000 0.507 401 E N 0.576 120.588 120.200 -0.313 0.000 2.216 401 E HA 0.161 4.509 4.350 -0.002 0.000 0.192 401 E C 1.261 177.798 176.600 -0.105 0.000 0.973 401 E CA 0.161 56.465 56.400 -0.161 0.000 0.851 401 E CB -0.108 29.543 29.700 -0.082 0.000 0.804 401 E HN 0.489 nan 8.360 nan 0.000 0.477 402 G N 1.428 110.157 108.800 -0.119 0.000 2.690 402 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.239 402 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.239 402 G C 0.082 174.967 174.900 -0.025 0.000 1.233 402 G CA -0.281 44.777 45.100 -0.070 0.000 0.847 402 G HN -0.055 nan 8.290 nan 0.000 0.588 403 D N 0.025 120.435 120.400 0.017 0.000 2.149 403 D HA -0.070 4.569 4.640 -0.002 0.000 0.198 403 D C 1.734 178.127 176.300 0.156 0.000 0.990 403 D CA 1.101 55.138 54.000 0.063 0.000 0.839 403 D CB 0.219 41.067 40.800 0.080 0.000 0.948 403 D HN 0.300 nan 8.370 nan 0.000 0.460 404 K N 0.451 120.965 120.400 0.189 0.000 2.576 404 K HA 0.398 4.717 4.320 -0.002 0.000 0.209 404 K C 0.083 176.839 176.600 0.260 0.000 1.049 404 K CA -0.294 56.215 56.287 0.370 0.000 1.140 404 K CB 0.677 33.303 32.500 0.210 0.000 0.871 404 K HN -0.035 nan 8.250 nan 0.000 0.479 405 A N 0.696 123.582 122.820 0.110 0.000 2.483 405 A HA 0.047 4.366 4.320 -0.002 0.000 0.238 405 A C 0.763 178.441 177.584 0.157 0.000 1.070 405 A CA -0.264 51.746 52.037 -0.046 0.000 0.770 405 A CB 0.070 18.984 19.000 -0.143 0.000 1.008 405 A HN 0.307 nan 8.150 nan 0.000 0.497 406 W N 1.235 122.559 121.300 0.041 0.000 2.317 406 W HA -0.185 4.474 4.660 -0.002 0.000 0.318 406 W C 1.792 178.240 176.519 -0.118 0.000 1.227 406 W CA 1.071 58.366 57.345 -0.084 0.000 1.269 406 W CB -1.396 27.974 29.460 -0.150 0.000 1.155 406 W HN 0.646 nan 8.180 nan 0.000 0.484 407 L N 0.061 121.399 121.223 0.191 0.000 2.349 407 L HA -0.169 4.170 4.340 -0.002 0.000 0.220 407 L C 2.385 179.281 176.870 0.043 0.000 1.130 407 L CA 1.207 56.120 54.840 0.122 0.000 0.791 407 L CB -0.670 41.427 42.059 0.063 0.000 0.918 407 L HN 0.006 nan 8.230 nan 0.000 0.444 408 R N -1.962 118.552 120.500 0.022 0.000 2.254 408 R HA -0.006 4.333 4.340 -0.002 0.000 0.195 408 R C 1.347 177.528 176.300 -0.198 0.000 0.957 408 R CA 0.499 56.545 56.100 -0.090 0.000 1.024 408 R CB 0.161 30.380 30.300 -0.136 0.000 0.952 408 R HN 0.255 nan 8.270 nan 0.000 0.484 409 Y N 0.048 120.365 120.300 0.028 0.000 2.449 409 Y HA 0.143 4.691 4.550 -0.002 0.000 0.254 409 Y C 0.487 176.399 175.900 0.019 0.000 1.140 409 Y CA -0.367 57.758 58.100 0.042 0.000 1.272 409 Y CB 0.897 39.409 38.460 0.086 0.000 1.114 409 Y HN -0.287 nan 8.280 nan 0.000 0.525 410 V N 2.124 122.080 119.914 0.071 0.000 2.458 410 V HA 0.105 4.224 4.120 -0.002 0.000 0.287 410 V C 0.781 176.929 176.094 0.091 0.000 1.009 410 V CA -0.398 61.929 62.300 0.046 0.000 1.091 410 V CB -0.638 31.219 31.823 0.057 0.000 0.960 410 V HN 0.285 nan 8.190 nan 0.000 0.476 411 A N 4.151 127.061 122.820 0.149 0.000 2.292 411 A HA 0.334 4.653 4.320 -0.002 0.000 0.265 411 A C 1.345 178.978 177.584 0.083 0.000 1.133 411 A CA -0.074 52.037 52.037 0.123 0.000 0.807 411 A CB 0.107 19.217 19.000 0.183 0.000 1.102 411 A HN 0.848 nan 8.150 nan 0.000 0.502 412 E N -0.154 120.073 120.200 0.045 0.000 2.268 412 E HA -0.159 4.190 4.350 -0.002 0.000 0.195 412 E C 0.787 177.403 176.600 0.026 0.000 0.995 412 E CA 1.655 58.070 56.400 0.025 0.000 0.836 412 E CB -0.093 29.608 29.700 0.003 0.000 0.763 412 E HN 0.691 nan 8.360 nan 0.000 0.491 413 D N -1.437 118.994 120.400 0.050 0.000 2.336 413 D HA 0.086 4.724 4.640 -0.002 0.000 0.229 413 D C 1.128 177.436 176.300 0.013 0.000 1.061 413 D CA 0.641 54.657 54.000 0.026 0.000 0.875 413 D CB -0.290 40.538 40.800 0.046 0.000 0.904 413 D HN 0.209 nan 8.370 nan 0.000 0.525 414 G N 0.065 108.893 108.800 0.046 0.000 2.147 414 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.244 414 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.244 414 G C -0.020 174.926 174.900 0.077 0.000 1.005 414 G CA 0.274 45.404 45.100 0.050 0.000 0.713 414 G HN 0.496 nan 8.290 nan 0.000 0.515 415 K N -0.722 119.734 120.400 0.093 0.000 2.385 415 K HA 0.739 5.057 4.320 -0.002 0.000 0.248 415 K C -0.215 176.413 176.600 0.047 0.000 0.955 415 K CA -1.018 55.302 56.287 0.054 0.000 0.816 415 K CB 2.153 34.622 32.500 -0.052 0.000 1.250 415 K HN 0.118 nan 8.250 nan 0.000 0.434 416 I N 2.823 123.390 120.570 -0.006 0.000 2.339 416 I HA 0.174 4.343 4.170 -0.002 0.000 0.290 416 I C -0.149 175.958 176.117 -0.016 0.000 0.994 416 I CA -0.627 60.698 61.300 0.042 0.000 1.191 416 I CB 0.825 38.803 38.000 -0.036 0.000 1.343 416 I HN 0.451 nan 8.210 nan 0.000 0.458 417 H N 5.918 125.081 119.070 0.155 0.000 2.702 417 H HA 0.228 4.783 4.556 -0.002 0.000 0.252 417 H C 0.511 175.918 175.328 0.131 0.000 1.493 417 H CA -0.404 55.732 56.048 0.146 0.000 1.273 417 H CB 0.707 30.542 29.762 0.123 0.000 1.537 417 H HN 0.766 nan 8.280 nan 0.000 0.547 418 G N 1.456 110.357 108.800 0.169 0.000 2.483 418 G HA2 0.082 4.041 3.960 -0.002 0.000 0.248 418 G HA3 0.082 4.041 3.960 -0.002 0.000 0.248 418 G C 0.212 175.199 174.900 0.144 0.000 1.248 418 G CA -0.386 44.788 45.100 0.122 0.000 0.838 418 G HN 0.444 nan 8.290 nan 0.000 0.566 419 S N -0.296 115.491 115.700 0.144 0.000 2.565 419 S HA 0.518 4.987 4.470 -0.002 0.000 0.274 419 S C -0.173 174.483 174.600 0.093 0.000 1.309 419 S CA -0.544 57.751 58.200 0.158 0.000 1.043 419 S CB 0.851 64.222 63.200 0.285 0.000 0.939 419 S HN 0.513 nan 8.310 nan 0.000 0.504 420 V N 5.384 125.340 119.914 0.069 0.000 2.577 420 V HA 0.404 4.523 4.120 -0.002 0.000 0.303 420 V C -0.385 175.697 176.094 -0.020 0.000 1.042 420 V CA -1.069 61.221 62.300 -0.017 0.000 0.872 420 V CB 1.834 33.681 31.823 0.039 0.000 0.998 420 V HN 0.896 nan 8.190 nan 0.000 0.423 421 N N 6.366 125.015 118.700 -0.085 0.000 2.678 421 N HA 0.329 5.068 4.740 -0.002 0.000 0.231 421 N C -1.821 173.664 175.510 -0.042 0.000 1.038 421 N CA -2.142 50.887 53.050 -0.035 0.000 0.932 421 N CB 1.948 40.417 38.487 -0.029 0.000 1.176 421 N HN 0.236 nan 8.380 nan 0.000 0.511 422 P HA -0.125 nan 4.420 nan 0.000 0.218 422 P C -0.171 177.197 177.300 0.113 0.000 1.147 422 P CA 1.376 64.553 63.100 0.128 0.000 0.827 422 P CB 0.269 32.053 31.700 0.139 0.000 0.778 423 N N -2.341 116.392 118.700 0.055 0.000 2.628 423 N HA 0.231 4.969 4.740 -0.002 0.000 0.299 423 N C 1.001 176.530 175.510 0.032 0.000 1.834 423 N CA -0.074 53.011 53.050 0.058 0.000 0.871 423 N CB -0.321 38.202 38.487 0.060 0.000 1.377 423 N HN -0.157 nan 8.380 nan 0.000 0.493 424 G N -0.989 107.815 108.800 0.007 0.000 2.623 424 G HA2 0.291 4.250 3.960 -0.002 0.000 0.214 424 G HA3 0.291 4.250 3.960 -0.002 0.000 0.214 424 G C 0.526 175.434 174.900 0.014 0.000 1.138 424 G CA 0.350 45.453 45.100 0.004 0.000 0.794 424 G HN 0.447 nan 8.290 nan 0.000 0.535 425 A N -0.285 122.547 122.820 0.021 0.000 2.295 425 A HA 0.579 4.898 4.320 -0.002 0.000 0.318 425 A C 1.430 179.035 177.584 0.034 0.000 1.134 425 A CA -0.364 51.688 52.037 0.025 0.000 0.827 425 A CB 1.469 20.484 19.000 0.025 0.000 1.136 425 A HN 0.220 nan 8.150 nan 0.000 0.493 426 V N 1.058 120.991 119.914 0.032 0.000 2.594 426 V HA -0.204 3.915 4.120 -0.002 0.000 0.253 426 V C 2.424 178.546 176.094 0.047 0.000 1.069 426 V CA 2.545 64.874 62.300 0.047 0.000 1.082 426 V CB -1.602 30.258 31.823 0.061 0.000 0.680 426 V HN 1.037 nan 8.190 nan 0.000 0.469 427 T N -2.555 112.016 114.554 0.030 0.000 3.113 427 T HA 0.331 4.680 4.350 -0.002 0.000 0.256 427 T C 1.598 176.338 174.700 0.065 0.000 1.131 427 T CA 0.961 63.079 62.100 0.030 0.000 1.074 427 T CB 0.490 69.357 68.868 -0.001 0.000 0.944 427 T HN 0.967 nan 8.240 nan 0.000 0.516 428 G N 1.220 110.067 108.800 0.078 0.000 2.195 428 G HA2 -0.216 3.742 3.960 -0.002 0.000 0.224 428 G HA3 -0.216 3.742 3.960 -0.002 0.000 0.224 428 G C 0.288 175.270 174.900 0.138 0.000 0.990 428 G CA -0.296 44.872 45.100 0.113 0.000 0.639 428 G HN 0.608 nan 8.290 nan 0.000 0.514 429 R N 0.792 121.357 120.500 0.108 0.000 2.774 429 R HA 0.550 4.889 4.340 -0.002 0.000 0.269 429 R C 0.972 177.302 176.300 0.051 0.000 1.068 429 R CA 0.529 56.696 56.100 0.111 0.000 1.180 429 R CB 0.437 30.797 30.300 0.101 0.000 1.077 429 R HN 0.528 nan 8.270 nan 0.000 0.513 430 A N 0.627 123.405 122.820 -0.070 0.000 2.242 430 A HA 0.470 4.789 4.320 -0.002 0.000 0.304 430 A C -0.158 177.263 177.584 -0.271 0.000 1.100 430 A CA -0.383 51.531 52.037 -0.205 0.000 0.860 430 A CB 0.935 19.678 19.000 -0.427 0.000 1.168 430 A HN 0.744 nan 8.150 nan 0.000 0.503 431 T N -1.612 112.726 114.554 -0.359 0.000 2.907 431 T HA 0.714 5.063 4.350 -0.002 0.000 0.292 431 T C -0.993 173.421 174.700 -0.476 0.000 1.043 431 T CA -0.634 61.312 62.100 -0.257 0.000 1.003 431 T CB 1.176 69.990 68.868 -0.089 0.000 1.084 431 T HN 0.678 nan 8.240 nan 0.000 0.483 432 H N 0.046 119.044 119.070 -0.119 0.000 2.637 432 H HA 0.883 5.438 4.556 -0.002 0.000 0.363 432 H C -0.224 174.980 175.328 -0.206 0.000 1.131 432 H CA -0.586 55.383 56.048 -0.131 0.000 1.183 432 H CB 1.857 31.542 29.762 -0.127 0.000 1.637 432 H HN 1.144 nan 8.280 nan 0.000 0.531 433 A N 1.023 123.745 122.820 -0.164 0.000 2.610 433 A HA 0.570 4.889 4.320 -0.002 0.000 0.291 433 A C -1.495 175.806 177.584 -0.471 0.000 1.086 433 A CA -0.993 50.729 52.037 -0.525 0.000 0.677 433 A CB 0.462 18.833 19.000 -1.050 0.000 1.278 433 A HN 0.638 nan 8.150 nan 0.000 0.414 434 F N -2.007 117.844 119.950 -0.166 0.000 2.985 434 F HA -0.130 4.396 4.527 -0.002 0.000 0.303 434 F C -2.237 173.071 175.800 -0.820 0.000 0.976 434 F CA 0.656 58.380 58.000 -0.461 0.000 1.013 434 F CB -2.274 36.589 39.000 -0.230 0.000 1.060 434 F HN 0.439 nan 8.300 nan 0.000 0.780 435 P HA 0.241 nan 4.420 nan 0.000 0.286 435 P C -0.334 176.911 177.300 -0.091 0.000 1.292 435 P CA -0.600 62.373 63.100 -0.212 0.000 0.842 435 P CB 1.135 32.835 31.700 0.000 0.000 1.207 436 N N 0.834 119.499 118.700 -0.058 0.000 2.466 436 N HA 0.069 4.808 4.740 -0.002 0.000 0.263 436 N C 0.887 176.388 175.510 -0.016 0.000 1.178 436 N CA 0.038 53.064 53.050 -0.040 0.000 0.983 436 N CB -0.873 37.581 38.487 -0.055 0.000 1.331 436 N HN 0.295 nan 8.380 nan 0.000 0.500 437 L N 1.358 122.566 121.223 -0.025 0.000 2.633 437 L HA 0.005 4.343 4.340 -0.002 0.000 0.235 437 L C 1.353 178.153 176.870 -0.116 0.000 1.163 437 L CA 0.353 55.156 54.840 -0.061 0.000 0.859 437 L CB -0.288 41.787 42.059 0.027 0.000 0.973 437 L HN 0.482 nan 8.230 nan 0.000 0.451 438 A N 0.144 122.823 122.820 -0.236 0.000 2.500 438 A HA 0.123 4.442 4.320 -0.002 0.000 0.267 438 A C 1.159 178.637 177.584 -0.177 0.000 1.290 438 A CA -0.227 51.610 52.037 -0.332 0.000 0.928 438 A CB -0.054 18.480 19.000 -0.777 0.000 1.066 438 A HN 0.559 nan 8.150 nan 0.000 0.516 439 Q N -0.372 119.352 119.800 -0.126 0.000 2.038 439 Q HA 0.399 4.738 4.340 -0.002 0.000 0.240 439 Q C -0.773 175.196 176.000 -0.052 0.000 0.831 439 Q CA -0.273 55.484 55.803 -0.077 0.000 1.068 439 Q CB -0.246 28.471 28.738 -0.036 0.000 1.241 439 Q HN 0.436 nan 8.270 nan 0.000 0.435 440 I N 3.073 123.561 120.570 -0.137 0.000 2.588 440 I HA 0.218 4.387 4.170 -0.002 0.000 0.283 440 I C -1.899 174.133 176.117 -0.142 0.000 1.119 440 I CA -2.064 59.181 61.300 -0.091 0.000 1.419 440 I CB 0.513 38.242 38.000 -0.452 0.000 1.394 440 I HN 0.051 nan 8.210 nan 0.000 0.562 441 P HA -0.009 nan 4.420 nan 0.000 0.264 441 P C 0.118 177.364 177.300 -0.090 0.000 1.183 441 P CA 0.001 63.095 63.100 -0.010 0.000 0.763 441 P CB 0.364 32.117 31.700 0.088 0.000 0.807 442 G N 1.495 110.246 108.800 -0.080 0.000 2.527 442 G HA2 0.230 4.189 3.960 -0.002 0.000 0.248 442 G HA3 0.230 4.189 3.960 -0.002 0.000 0.248 442 G C 1.296 176.178 174.900 -0.030 0.000 1.231 442 G CA -0.464 44.586 45.100 -0.085 0.000 0.838 442 G HN 0.437 nan 8.290 nan 0.000 0.570 443 V N -0.106 119.797 119.914 -0.017 0.000 2.688 443 V HA -0.065 4.054 4.120 -0.002 0.000 0.256 443 V C 1.809 177.917 176.094 0.023 0.000 1.084 443 V CA 1.359 63.670 62.300 0.018 0.000 1.103 443 V CB -0.594 31.254 31.823 0.042 0.000 0.688 443 V HN 0.607 nan 8.190 nan 0.000 0.480 444 R N 1.700 122.213 120.500 0.021 0.000 3.081 444 R HA 0.367 4.706 4.340 -0.002 0.000 0.280 444 R C 0.220 176.527 176.300 0.012 0.000 1.372 444 R CA 0.557 56.668 56.100 0.017 0.000 1.242 444 R CB 0.053 30.366 30.300 0.021 0.000 1.316 444 R HN 0.788 nan 8.270 nan 0.000 0.585 445 S N -1.392 114.316 115.700 0.014 0.000 2.588 445 S HA 0.467 4.936 4.470 -0.002 0.000 0.275 445 S C -2.971 171.641 174.600 0.019 0.000 1.130 445 S CA -1.972 56.239 58.200 0.017 0.000 0.855 445 S CB 2.187 65.402 63.200 0.025 0.000 1.116 445 S HN -0.177 nan 8.310 nan 0.000 0.472 446 P HA 0.089 nan 4.420 nan 0.000 0.253 446 P C -0.717 176.667 177.300 0.140 0.000 1.159 446 P CA 1.013 64.106 63.100 -0.012 0.000 0.779 446 P CB -0.663 31.072 31.700 0.058 0.000 0.745 447 Y N 0.858 121.180 120.300 0.037 0.000 4.907 447 Y HA -0.260 4.289 4.550 -0.002 0.000 0.246 447 Y C 1.951 177.893 175.900 0.070 0.000 0.968 447 Y CA 1.213 59.346 58.100 0.054 0.000 1.961 447 Y CB -2.356 36.138 38.460 0.057 0.000 1.487 447 Y HN 0.496 nan 8.280 nan 0.000 0.575 448 G N 0.129 109.022 108.800 0.157 0.000 2.418 448 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.217 448 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.217 448 G C 1.429 176.388 174.900 0.098 0.000 1.158 448 G CA 1.139 46.305 45.100 0.110 0.000 0.771 448 G HN 0.525 nan 8.290 nan 0.000 0.545 449 E N 0.381 120.633 120.200 0.088 0.000 2.058 449 E HA -0.192 4.156 4.350 -0.002 0.000 0.194 449 E C 2.631 179.300 176.600 0.115 0.000 0.997 449 E CA 1.287 57.739 56.400 0.088 0.000 0.801 449 E CB -0.202 29.540 29.700 0.071 0.000 0.746 449 E HN 0.559 nan 8.360 nan 0.000 0.450 450 Q N -0.106 119.780 119.800 0.142 0.000 2.079 450 Q HA -0.133 4.206 4.340 -0.002 0.000 0.200 450 Q C 2.466 178.557 176.000 0.152 0.000 0.974 450 Q CA 1.558 57.447 55.803 0.145 0.000 0.840 450 Q CB -0.168 28.680 28.738 0.183 0.000 0.898 450 Q HN 0.284 nan 8.270 nan 0.000 0.430 451 C N -0.063 119.365 119.300 0.215 0.000 2.436 451 C HA -0.112 4.347 4.460 -0.002 0.000 0.277 451 C C 2.598 177.706 174.990 0.197 0.000 1.241 451 C CA 0.707 59.894 59.018 0.282 0.000 1.721 451 C CB -0.742 27.242 27.740 0.406 0.000 2.043 451 C HN 0.428 nan 8.230 nan 0.000 0.472 452 R N 1.199 121.775 120.500 0.128 0.000 2.091 452 R HA -0.063 4.276 4.340 -0.002 0.000 0.238 452 R C 2.185 178.627 176.300 0.237 0.000 1.136 452 R CA 1.816 57.977 56.100 0.102 0.000 0.959 452 R CB -0.725 29.576 30.300 0.002 0.000 0.856 452 R HN 0.535 nan 8.270 nan 0.000 0.437 453 A N -0.316 122.614 122.820 0.183 0.000 2.067 453 A HA 0.034 4.353 4.320 -0.002 0.000 0.219 453 A C 2.134 179.842 177.584 0.207 0.000 1.158 453 A CA 1.371 53.528 52.037 0.200 0.000 0.661 453 A CB -0.599 18.491 19.000 0.150 0.000 0.801 453 A HN 0.390 nan 8.150 nan 0.000 0.452 454 A N -1.179 121.665 122.820 0.041 0.000 2.067 454 A HA 0.249 4.567 4.320 -0.002 0.000 0.219 454 A C 0.358 177.714 177.584 -0.380 0.000 1.158 454 A CA 0.349 52.186 52.037 -0.333 0.000 0.661 454 A CB -0.376 18.260 19.000 -0.607 0.000 0.801 454 A HN 0.357 nan 8.150 nan 0.000 0.452 455 F N -0.331 119.594 119.950 -0.041 0.000 2.404 455 F HA 0.588 5.113 4.527 -0.002 0.000 0.354 455 F C 0.725 176.622 175.800 0.161 0.000 1.122 455 F CA 0.159 58.055 58.000 -0.173 0.000 1.080 455 F CB 1.723 40.312 39.000 -0.686 0.000 1.131 455 F HN 0.177 nan 8.300 nan 0.000 0.471 456 G N 0.837 109.975 108.800 0.563 0.000 2.442 456 G HA2 0.443 4.402 3.960 -0.002 0.000 0.296 456 G HA3 0.443 4.402 3.960 -0.002 0.000 0.296 456 G C -0.038 175.079 174.900 0.362 0.000 1.564 456 G CA -0.244 45.154 45.100 0.497 0.000 0.828 456 G HN 0.745 nan 8.290 nan 0.000 0.571 457 A N 0.441 123.447 122.820 0.310 0.000 1.978 457 A HA -0.023 4.295 4.320 -0.002 0.000 0.220 457 A C 2.047 179.767 177.584 0.227 0.000 1.170 457 A CA 2.307 54.538 52.037 0.323 0.000 0.636 457 A CB -0.565 18.669 19.000 0.390 0.000 0.810 457 A HN 1.093 nan 8.150 nan 0.000 0.448 458 E N -0.686 119.543 120.200 0.049 0.000 2.171 458 E HA -0.271 4.078 4.350 -0.002 0.000 0.197 458 E C 1.043 177.585 176.600 -0.097 0.000 0.997 458 E CA 1.453 57.819 56.400 -0.057 0.000 0.810 458 E CB -0.664 28.913 29.700 -0.206 0.000 0.738 458 E HN 0.733 nan 8.360 nan 0.000 0.467 459 H N -0.401 118.731 119.070 0.103 0.000 2.553 459 H HA 0.096 4.651 4.556 -0.002 0.000 0.269 459 H C -0.330 174.995 175.328 -0.005 0.000 1.011 459 H CA 0.699 56.763 56.048 0.028 0.000 1.150 459 H CB -0.517 29.244 29.762 -0.001 0.000 1.339 459 H HN 0.341 nan 8.280 nan 0.000 0.604 460 H N 0.306 119.350 119.070 -0.043 0.000 2.505 460 H HA 0.384 4.939 4.556 -0.002 0.000 0.338 460 H C -0.841 174.394 175.328 -0.155 0.000 1.057 460 H CA -0.602 55.290 56.048 -0.261 0.000 1.202 460 H CB 0.493 29.886 29.762 -0.616 0.000 1.466 460 H HN -0.020 nan 8.280 nan 0.000 0.499 461 L N 4.160 124.959 121.223 -0.707 0.000 2.289 461 L HA 0.234 4.572 4.340 -0.002 0.000 0.285 461 L C 0.208 176.743 176.870 -0.558 0.000 1.049 461 L CA -0.901 53.695 54.840 -0.406 0.000 0.804 461 L CB 1.207 43.128 42.059 -0.231 0.000 1.195 461 L HN 0.735 nan 8.230 nan 0.000 0.428 462 D N 1.838 122.195 120.400 -0.073 0.000 2.488 462 D HA 0.040 4.679 4.640 -0.002 0.000 0.238 462 D C 1.333 177.648 176.300 0.024 0.000 1.138 462 D CA 0.688 54.776 54.000 0.147 0.000 0.873 462 D CB 1.581 42.618 40.800 0.396 0.000 1.183 462 D HN 0.649 nan 8.370 nan 0.000 0.458 463 G N 3.652 112.493 108.800 0.068 0.000 2.475 463 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.220 463 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.220 463 G C 1.216 176.147 174.900 0.053 0.000 1.125 463 G CA 0.676 45.800 45.100 0.040 0.000 0.755 463 G HN 0.528 nan 8.290 nan 0.000 0.565 464 I N 1.022 121.647 120.570 0.092 0.000 2.594 464 I HA -0.014 4.154 4.170 -0.002 0.000 0.237 464 I C 3.127 179.276 176.117 0.055 0.000 1.071 464 I CA 1.848 63.189 61.300 0.069 0.000 1.427 464 I CB -1.580 36.467 38.000 0.079 0.000 1.218 464 I HN 0.307 nan 8.210 nan 0.000 0.444 465 T N -0.842 113.756 114.554 0.072 0.000 2.867 465 T HA 0.023 4.372 4.350 -0.002 0.000 0.268 465 T C 1.698 176.423 174.700 0.041 0.000 1.057 465 T CA 1.346 63.479 62.100 0.055 0.000 1.136 465 T CB -0.414 68.492 68.868 0.063 0.000 0.874 465 T HN 0.605 nan 8.240 nan 0.000 0.466 466 G N 1.226 110.051 108.800 0.042 0.000 2.176 466 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.253 466 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.253 466 G C 0.103 175.016 174.900 0.022 0.000 0.979 466 G CA 0.169 45.273 45.100 0.007 0.000 0.641 466 G HN 0.646 nan 8.290 nan 0.000 0.530 467 K N 0.921 121.359 120.400 0.064 0.000 2.154 467 K HA 0.467 4.786 4.320 -0.002 0.000 0.264 467 K C -2.287 174.394 176.600 0.135 0.000 1.008 467 K CA -2.071 54.262 56.287 0.076 0.000 0.937 467 K CB 0.484 33.025 32.500 0.068 0.000 1.002 467 K HN 0.095 nan 8.250 nan 0.000 0.469 468 P HA 0.060 nan 4.420 nan 0.000 0.272 468 P C -0.519 176.979 177.300 0.330 0.000 1.230 468 P CA -0.141 63.065 63.100 0.176 0.000 0.788 468 P CB 0.389 32.147 31.700 0.097 0.000 0.949 469 W N 0.731 122.093 121.300 0.103 0.000 2.225 469 W HA 0.481 5.140 4.660 -0.002 0.000 0.377 469 W C -0.565 176.019 176.519 0.109 0.000 1.418 469 W CA -0.074 57.367 57.345 0.160 0.000 1.562 469 W CB 0.336 29.983 29.460 0.311 0.000 1.297 469 W HN -0.002 nan 8.180 nan 0.000 0.686 470 V N 0.490 120.559 119.914 0.258 0.000 2.864 470 V HA 0.374 4.493 4.120 -0.002 0.000 0.314 470 V C -0.609 175.586 176.094 0.168 0.000 1.073 470 V CA -1.262 61.127 62.300 0.148 0.000 0.956 470 V CB 1.568 33.417 31.823 0.043 0.000 1.023 470 V HN 0.425 nan 8.190 nan 0.000 0.435 471 Q N 1.265 121.141 119.800 0.127 0.000 2.235 471 Q HA 0.779 5.117 4.340 -0.002 0.000 0.256 471 Q C -0.732 175.300 176.000 0.052 0.000 0.951 471 Q CA -0.597 55.267 55.803 0.102 0.000 0.890 471 Q CB 1.900 30.711 28.738 0.122 0.000 1.279 471 Q HN 0.998 nan 8.270 nan 0.000 0.444 472 A N 2.109 124.935 122.820 0.009 0.000 2.375 472 A HA 0.707 5.026 4.320 -0.002 0.000 0.291 472 A C -0.556 177.010 177.584 -0.029 0.000 1.160 472 A CA -0.292 51.738 52.037 -0.012 0.000 0.747 472 A CB 1.186 20.154 19.000 -0.053 0.000 1.170 472 A HN 0.709 nan 8.150 nan 0.000 0.458 473 G N 1.608 110.429 108.800 0.034 0.000 2.422 473 G HA2 0.583 4.542 3.960 -0.002 0.000 0.317 473 G HA3 0.583 4.542 3.960 -0.002 0.000 0.317 473 G C -0.986 173.985 174.900 0.119 0.000 1.210 473 G CA -0.293 44.852 45.100 0.076 0.000 0.930 473 G HN 0.504 nan 8.290 nan 0.000 0.468 474 I N 2.011 122.664 120.570 0.138 0.000 2.509 474 I HA 0.418 4.586 4.170 -0.002 0.000 0.293 474 I C -0.589 175.757 176.117 0.382 0.000 1.020 474 I CA -0.802 60.640 61.300 0.236 0.000 1.088 474 I CB 2.409 40.566 38.000 0.261 0.000 1.267 474 I HN 0.440 nan 8.210 nan 0.000 0.430 475 D N 4.798 125.388 120.400 0.317 0.000 2.738 475 D HA 0.592 5.231 4.640 -0.002 0.000 0.237 475 D C -1.097 175.272 176.300 0.115 0.000 1.123 475 D CA -0.647 53.527 54.000 0.290 0.000 0.856 475 D CB 2.674 43.619 40.800 0.241 0.000 1.552 475 D HN 0.618 nan 8.370 nan 0.000 0.480 476 A N 2.585 125.407 122.820 0.002 0.000 2.396 476 A HA 0.402 4.720 4.320 -0.002 0.000 0.279 476 A C 0.290 177.870 177.584 -0.007 0.000 1.165 476 A CA -0.280 51.657 52.037 -0.166 0.000 0.824 476 A CB 0.146 18.968 19.000 -0.296 0.000 1.100 476 A HN 0.459 nan 8.150 nan 0.000 0.516 477 S N 1.836 117.534 115.700 -0.004 0.000 2.537 477 S HA 0.361 4.829 4.470 -0.002 0.000 0.286 477 S C 1.402 176.065 174.600 0.106 0.000 1.299 477 S CA 0.576 58.814 58.200 0.062 0.000 1.067 477 S CB 0.555 63.779 63.200 0.040 0.000 0.864 477 S HN 1.949 nan 8.310 nan 0.000 0.494 478 G N 2.516 111.429 108.800 0.189 0.000 2.451 478 G HA2 -0.275 3.683 3.960 -0.002 0.000 0.296 478 G HA3 -0.275 3.683 3.960 -0.002 0.000 0.296 478 G C 0.731 175.773 174.900 0.238 0.000 0.922 478 G CA 0.525 45.768 45.100 0.239 0.000 1.074 478 G HN 0.689 nan 8.290 nan 0.000 0.509 479 L N -0.096 121.265 121.223 0.230 0.000 1.976 479 L HA -0.150 4.189 4.340 -0.002 0.000 0.223 479 L C 2.492 179.526 176.870 0.274 0.000 1.081 479 L CA 3.016 57.975 54.840 0.198 0.000 0.784 479 L CB -0.596 41.555 42.059 0.153 0.000 0.896 479 L HN 0.529 nan 8.230 nan 0.000 0.438 480 E N -1.190 119.223 120.200 0.355 0.000 2.418 480 E HA -0.112 4.237 4.350 -0.002 0.000 0.197 480 E C 2.215 179.073 176.600 0.429 0.000 1.026 480 E CA 0.442 57.089 56.400 0.411 0.000 0.862 480 E CB -0.054 29.869 29.700 0.372 0.000 0.799 480 E HN 0.527 nan 8.360 nan 0.000 0.518 481 L N 0.153 121.600 121.223 0.373 0.000 2.179 481 L HA -0.042 4.296 4.340 -0.002 0.000 0.208 481 L C 2.290 179.325 176.870 0.276 0.000 1.096 481 L CA 0.665 55.649 54.840 0.241 0.000 0.779 481 L CB -0.139 42.006 42.059 0.143 0.000 0.922 481 L HN 0.060 nan 8.230 nan 0.000 0.443 482 R N -1.083 119.589 120.500 0.286 0.000 2.148 482 R HA -0.076 4.263 4.340 -0.002 0.000 0.223 482 R C 2.314 178.845 176.300 0.385 0.000 1.088 482 R CA 1.064 57.347 56.100 0.304 0.000 0.985 482 R CB -0.477 29.985 30.300 0.269 0.000 0.880 482 R HN 0.367 nan 8.270 nan 0.000 0.451 483 C N 0.738 120.300 119.300 0.436 0.000 2.440 483 C HA -0.037 4.422 4.460 -0.002 0.000 0.278 483 C C 2.554 177.820 174.990 0.460 0.000 1.295 483 C CA 0.212 59.558 59.018 0.546 0.000 1.738 483 C CB -0.777 27.294 27.740 0.551 0.000 1.987 483 C HN 0.407 nan 8.230 nan 0.000 0.492 484 L N 1.893 123.320 121.223 0.340 0.000 2.027 484 L HA 0.005 4.343 4.340 -0.002 0.000 0.206 484 L C 2.592 179.533 176.870 0.118 0.000 1.074 484 L CA 2.378 57.349 54.840 0.217 0.000 0.745 484 L CB -1.024 41.046 42.059 0.019 0.000 0.898 484 L HN 0.257 nan 8.230 nan 0.000 0.433 485 A N -1.023 121.867 122.820 0.116 0.000 1.892 485 A HA -0.358 3.961 4.320 -0.002 0.000 0.218 485 A C 2.303 179.907 177.584 0.033 0.000 1.188 485 A CA 2.083 54.206 52.037 0.143 0.000 0.631 485 A CB -1.232 17.953 19.000 0.309 0.000 0.822 485 A HN 0.772 nan 8.150 nan 0.000 0.447 486 H N -1.486 117.471 119.070 -0.188 0.000 2.290 486 H HA -0.162 4.393 4.556 -0.002 0.000 0.298 486 H C 1.509 176.568 175.328 -0.448 0.000 1.087 486 H CA 2.320 58.030 56.048 -0.562 0.000 1.291 486 H CB -0.430 28.474 29.762 -1.430 0.000 1.369 486 H HN 0.425 nan 8.280 nan 0.000 0.492 487 F N 0.386 120.222 119.950 -0.189 0.000 2.502 487 F HA -0.069 4.457 4.527 -0.002 0.000 0.298 487 F C 2.189 177.984 175.800 -0.008 0.000 1.111 487 F CA 1.135 59.057 58.000 -0.130 0.000 1.445 487 F CB -0.217 38.811 39.000 0.046 0.000 1.081 487 F HN 0.394 nan 8.300 nan 0.000 0.558 488 M N -2.190 117.502 119.600 0.152 0.000 2.333 488 M HA 0.501 4.980 4.480 -0.002 0.000 0.257 488 M C 1.591 177.995 176.300 0.173 0.000 1.078 488 M CA 0.440 55.896 55.300 0.260 0.000 1.005 488 M CB -0.305 32.373 32.600 0.130 0.000 1.444 488 M HN -0.070 nan 8.290 nan 0.000 0.496 489 A N 2.569 125.386 122.820 -0.005 0.000 2.067 489 A HA -0.119 4.199 4.320 -0.002 0.000 0.219 489 A C 2.324 179.851 177.584 -0.096 0.000 1.158 489 A CA 1.466 53.471 52.037 -0.052 0.000 0.661 489 A CB -0.664 18.248 19.000 -0.147 0.000 0.801 489 A HN 0.774 nan 8.150 nan 0.000 0.452 490 R N -2.203 118.182 120.500 -0.191 0.000 2.313 490 R HA 0.161 4.500 4.340 -0.002 0.000 0.199 490 R C 0.623 176.634 176.300 -0.481 0.000 0.958 490 R CA 0.986 56.870 56.100 -0.361 0.000 1.047 490 R CB -0.306 29.694 30.300 -0.501 0.000 0.955 490 R HN 0.400 nan 8.270 nan 0.000 0.481 491 F N 0.566 120.500 119.950 -0.027 0.000 2.637 491 F HA 0.155 4.680 4.527 -0.003 0.000 0.284 491 F C 1.114 176.914 175.800 -0.001 0.000 1.105 491 F CA 0.001 57.995 58.000 -0.011 0.000 1.356 491 F CB 0.477 39.474 39.000 -0.006 0.000 1.096 491 F HN 0.130 nan 8.300 nan 0.000 0.616 492 D N -1.579 118.924 120.400 0.172 0.000 2.538 492 D HA 0.030 4.669 4.640 -0.002 0.000 0.231 492 D C -0.163 176.176 176.300 0.065 0.000 1.229 492 D CA -0.011 54.060 54.000 0.118 0.000 0.828 492 D CB -0.798 40.088 40.800 0.145 0.000 1.035 492 D HN 0.029 nan 8.370 nan 0.000 0.495 493 N N 0.835 119.549 118.700 0.024 0.000 2.693 493 N HA -0.199 4.540 4.740 -0.002 0.000 0.249 493 N C 1.132 176.645 175.510 0.005 0.000 1.119 493 N CA 1.481 54.529 53.050 -0.004 0.000 0.717 493 N CB -1.505 36.978 38.487 -0.007 0.000 1.071 493 N HN 0.705 nan 8.380 nan 0.000 0.555 494 G N -0.960 107.856 108.800 0.027 0.000 2.141 494 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.231 494 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.231 494 G C 0.743 175.700 174.900 0.096 0.000 0.984 494 G CA 0.590 45.719 45.100 0.049 0.000 0.660 494 G HN 0.523 nan 8.290 nan 0.000 0.525 495 E N -0.985 119.279 120.200 0.106 0.000 2.028 495 E HA -0.103 4.246 4.350 -0.002 0.000 0.191 495 E C 1.898 178.594 176.600 0.161 0.000 0.988 495 E CA 1.203 57.677 56.400 0.123 0.000 0.799 495 E CB -0.095 29.666 29.700 0.102 0.000 0.755 495 E HN 0.581 nan 8.360 nan 0.000 0.447 496 Y N 1.108 121.455 120.300 0.078 0.000 2.193 496 Y HA -0.294 4.254 4.550 -0.002 0.000 0.285 496 Y C 2.217 178.159 175.900 0.069 0.000 1.166 496 Y CA 1.556 59.699 58.100 0.072 0.000 1.181 496 Y CB -0.237 38.265 38.460 0.071 0.000 0.976 496 Y HN 0.038 nan 8.280 nan 0.000 0.520 497 A N -1.082 121.872 122.820 0.224 0.000 1.933 497 A HA -0.280 4.039 4.320 -0.002 0.000 0.218 497 A C 1.959 179.590 177.584 0.078 0.000 1.175 497 A CA 2.034 54.162 52.037 0.151 0.000 0.628 497 A CB -1.141 17.937 19.000 0.129 0.000 0.814 497 A HN 0.707 nan 8.150 nan 0.000 0.444 498 H N -0.509 118.565 119.070 0.007 0.000 2.326 498 H HA -0.052 4.503 4.556 -0.001 0.000 0.301 498 H C 1.984 177.279 175.328 -0.055 0.000 1.081 498 H CA 1.794 57.832 56.048 -0.017 0.000 1.334 498 H CB 0.051 29.806 29.762 -0.012 0.000 1.385 498 H HN 0.329 nan 8.280 nan 0.000 0.504 499 E N 0.356 120.475 120.200 -0.135 0.000 2.153 499 E HA -0.123 4.226 4.350 -0.002 0.000 0.194 499 E C 2.412 178.860 176.600 -0.253 0.000 0.988 499 E CA 0.512 56.778 56.400 -0.223 0.000 0.811 499 E CB -0.116 29.440 29.700 -0.240 0.000 0.746 499 E HN 0.530 nan 8.360 nan 0.000 0.466 500 I N 0.740 121.167 120.570 -0.238 0.000 2.208 500 I HA -0.247 3.922 4.170 -0.002 0.000 0.245 500 I C 1.673 177.715 176.117 -0.125 0.000 1.097 500 I CA 0.988 62.191 61.300 -0.161 0.000 1.363 500 I CB -0.704 37.269 38.000 -0.045 0.000 1.051 500 I HN 0.066 nan 8.210 nan 0.000 0.413 501 L N 1.378 122.515 121.223 -0.143 0.000 2.919 501 L HA 0.051 4.390 4.340 -0.002 0.000 0.242 501 L C -0.305 176.464 176.870 -0.168 0.000 1.366 501 L CA 0.186 54.949 54.840 -0.129 0.000 1.212 501 L CB -0.965 41.028 42.059 -0.111 0.000 1.604 501 L HN 0.172 nan 8.230 nan 0.000 0.433 502 N N 1.311 119.920 118.700 -0.152 0.000 2.703 502 N HA 0.440 5.179 4.740 -0.002 0.000 0.283 502 N C 0.039 175.500 175.510 -0.082 0.000 1.851 502 N CA 0.200 53.172 53.050 -0.130 0.000 0.826 502 N CB 1.392 39.783 38.487 -0.161 0.000 1.239 502 N HN 0.395 nan 8.380 nan 0.000 0.495 503 G N 0.522 109.287 108.800 -0.059 0.000 2.712 503 G HA2 -0.196 3.762 3.960 -0.002 0.000 0.683 503 G HA3 -0.196 3.762 3.960 -0.002 0.000 0.683 503 G C -0.881 174.000 174.900 -0.032 0.000 1.320 503 G CA -0.938 44.141 45.100 -0.035 0.000 0.847 503 G HN 0.410 nan 8.290 nan 0.000 0.553 504 D N -0.256 120.139 120.400 -0.009 0.000 2.434 504 D HA 0.213 4.851 4.640 -0.002 0.000 0.252 504 D C 1.684 177.973 176.300 -0.020 0.000 1.185 504 D CA -0.244 53.758 54.000 0.004 0.000 0.886 504 D CB 0.416 41.242 40.800 0.043 0.000 1.148 504 D HN 0.386 nan 8.370 nan 0.000 0.483 505 I N 4.529 125.052 120.570 -0.079 0.000 2.315 505 I HA -0.196 3.972 4.170 -0.002 0.000 0.248 505 I C 1.484 177.535 176.117 -0.109 0.000 1.117 505 I CA 1.258 62.477 61.300 -0.134 0.000 1.404 505 I CB -0.584 37.286 38.000 -0.218 0.000 1.071 505 I HN 0.635 nan 8.210 nan 0.000 0.419 506 H N -0.247 118.846 119.070 0.039 0.000 2.457 506 H HA -0.018 4.537 4.556 -0.002 0.000 0.294 506 H C 1.970 177.327 175.328 0.048 0.000 1.064 506 H CA 1.609 57.682 56.048 0.042 0.000 1.330 506 H CB -0.273 29.517 29.762 0.047 0.000 1.395 506 H HN 0.282 nan 8.280 nan 0.000 0.541 507 T N 0.174 114.811 114.554 0.140 0.000 3.014 507 T HA -0.032 4.317 4.350 -0.002 0.000 0.263 507 T C 1.958 176.698 174.700 0.067 0.000 1.078 507 T CA 0.521 62.675 62.100 0.091 0.000 1.135 507 T CB 0.420 69.327 68.868 0.064 0.000 0.895 507 T HN 0.272 nan 8.240 nan 0.000 0.480 508 K N 0.782 121.213 120.400 0.052 0.000 2.366 508 K HA 0.047 4.366 4.320 -0.002 0.000 0.198 508 K C 1.480 178.130 176.600 0.084 0.000 1.044 508 K CA 0.626 56.935 56.287 0.037 0.000 0.973 508 K CB 0.117 32.617 32.500 -0.000 0.000 0.767 508 K HN 0.089 nan 8.250 nan 0.000 0.475 509 N N 0.546 119.325 118.700 0.133 0.000 2.409 509 N HA -0.075 4.663 4.740 -0.002 0.000 0.174 509 N C 1.424 177.064 175.510 0.217 0.000 1.037 509 N CA 0.419 53.619 53.050 0.250 0.000 0.898 509 N CB 0.194 38.817 38.487 0.227 0.000 1.010 509 N HN 0.220 nan 8.380 nan 0.000 0.445 510 Q N 0.370 120.253 119.800 0.137 0.000 1.993 510 Q HA -0.115 4.224 4.340 -0.002 0.000 0.202 510 Q C 1.795 177.828 176.000 0.054 0.000 0.984 510 Q CA 1.145 56.999 55.803 0.085 0.000 0.837 510 Q CB -0.131 28.650 28.738 0.072 0.000 0.902 510 Q HN 0.240 nan 8.270 nan 0.000 0.423 511 I N 0.906 121.505 120.570 0.048 0.000 2.226 511 I HA -0.226 3.943 4.170 -0.002 0.000 0.245 511 I C 2.153 178.282 176.117 0.019 0.000 1.100 511 I CA 1.671 62.984 61.300 0.023 0.000 1.374 511 I CB -1.240 36.769 38.000 0.015 0.000 1.057 511 I HN 0.333 nan 8.210 nan 0.000 0.413 512 A N 0.839 123.687 122.820 0.046 0.000 1.883 512 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 512 A C 2.185 179.787 177.584 0.030 0.000 1.186 512 A CA 1.900 53.948 52.037 0.019 0.000 0.624 512 A CB -0.942 18.077 19.000 0.032 0.000 0.822 512 A HN 0.503 nan 8.150 nan 0.000 0.444 513 A N -1.114 121.773 122.820 0.111 0.000 2.327 513 A HA 0.417 4.736 4.320 -0.002 0.000 0.228 513 A C 0.468 178.008 177.584 -0.074 0.000 1.275 513 A CA 0.715 52.753 52.037 0.002 0.000 0.875 513 A CB -0.571 18.295 19.000 -0.223 0.000 0.925 513 A HN 0.518 nan 8.150 nan 0.000 0.493 514 E N -1.029 119.151 120.200 -0.034 0.000 2.403 514 E HA -0.207 4.142 4.350 -0.002 0.000 0.241 514 E C -0.315 176.258 176.600 -0.045 0.000 1.201 514 E CA 0.749 57.127 56.400 -0.036 0.000 0.721 514 E CB -2.010 27.666 29.700 -0.040 0.000 1.245 514 E HN 0.718 nan 8.360 nan 0.000 0.392 515 L N 0.071 121.267 121.223 -0.045 0.000 2.399 515 L HA 0.277 4.616 4.340 -0.002 0.000 0.266 515 L C -0.565 176.297 176.870 -0.013 0.000 1.114 515 L CA -1.793 53.020 54.840 -0.044 0.000 0.804 515 L CB 0.233 42.259 42.059 -0.055 0.000 1.146 515 L HN -0.002 nan 8.230 nan 0.000 0.451 516 P HA -0.050 nan 4.420 nan 0.000 0.206 516 P C 0.456 177.763 177.300 0.011 0.000 1.209 516 P CA 0.879 63.979 63.100 0.001 0.000 0.923 516 P CB -0.163 31.537 31.700 0.001 0.000 0.761 517 T N -3.714 110.849 114.554 0.015 0.000 2.912 517 T HA 0.353 4.702 4.350 -0.002 0.000 0.280 517 T C 1.246 175.964 174.700 0.030 0.000 0.989 517 T CA -0.749 61.363 62.100 0.021 0.000 0.995 517 T CB 2.030 70.910 68.868 0.020 0.000 1.077 517 T HN -0.010 nan 8.240 nan 0.000 0.531 518 R N -0.105 120.414 120.500 0.032 0.000 2.115 518 R HA -0.067 4.272 4.340 -0.002 0.000 0.226 518 R C 1.198 177.505 176.300 0.013 0.000 1.100 518 R CA 1.261 57.386 56.100 0.041 0.000 0.980 518 R CB -0.389 29.938 30.300 0.045 0.000 0.875 518 R HN 0.680 nan 8.270 nan 0.000 0.445 519 D N 0.113 120.518 120.400 0.009 0.000 2.144 519 D HA -0.183 4.456 4.640 -0.002 0.000 0.199 519 D C 1.410 177.720 176.300 0.017 0.000 0.984 519 D CA 1.019 55.019 54.000 0.001 0.000 0.834 519 D CB -0.378 40.433 40.800 0.017 0.000 0.955 519 D HN 0.385 nan 8.370 nan 0.000 0.465 520 N N 0.196 118.916 118.700 0.033 0.000 2.331 520 N HA -0.087 4.652 4.740 -0.002 0.000 0.180 520 N C 1.596 177.157 175.510 0.084 0.000 1.019 520 N CA 0.768 53.850 53.050 0.053 0.000 0.881 520 N CB 0.195 38.705 38.487 0.039 0.000 0.972 520 N HN 0.025 nan 8.380 nan 0.000 0.435 521 A N 0.926 123.792 122.820 0.077 0.000 2.066 521 A HA -0.049 4.270 4.320 -0.002 0.000 0.218 521 A C 2.113 179.780 177.584 0.140 0.000 1.157 521 A CA 0.855 52.972 52.037 0.134 0.000 0.670 521 A CB -0.103 18.975 19.000 0.131 0.000 0.804 521 A HN 0.266 nan 8.150 nan 0.000 0.453 522 K N -0.863 119.546 120.400 0.014 0.000 2.044 522 K HA -0.040 4.278 4.320 -0.002 0.000 0.204 522 K C 2.045 178.681 176.600 0.061 0.000 1.049 522 K CA 1.597 57.828 56.287 -0.095 0.000 0.945 522 K CB -0.347 32.004 32.500 -0.249 0.000 0.724 522 K HN 0.406 nan 8.250 nan 0.000 0.440 523 T N 1.710 116.324 114.554 0.099 0.000 2.720 523 T HA -0.196 4.153 4.350 -0.002 0.000 0.268 523 T C 1.444 176.222 174.700 0.130 0.000 1.037 523 T CA 1.438 63.618 62.100 0.133 0.000 1.144 523 T CB -0.382 68.553 68.868 0.112 0.000 0.864 523 T HN 0.187 nan 8.240 nan 0.000 0.444 524 F N 2.388 122.332 119.950 -0.010 0.000 1.997 524 F HA -0.114 4.412 4.527 -0.002 0.000 0.296 524 F C 2.070 177.825 175.800 -0.074 0.000 1.160 524 F CA 0.893 58.860 58.000 -0.055 0.000 1.176 524 F CB -0.894 38.027 39.000 -0.132 0.000 0.964 524 F HN -0.035 nan 8.300 nan 0.000 0.484 525 I N 0.013 120.026 120.570 -0.929 0.000 2.145 525 I HA -0.367 3.802 4.170 -0.002 0.000 0.244 525 I C 2.528 178.317 176.117 -0.546 0.000 1.075 525 I CA 1.887 62.607 61.300 -0.966 0.000 1.332 525 I CB -1.439 36.159 38.000 -0.671 0.000 1.033 525 I HN 0.267 nan 8.210 nan 0.000 0.410 526 Y N 0.690 120.860 120.300 -0.217 0.000 2.403 526 Y HA -0.095 4.454 4.550 -0.002 0.000 0.291 526 Y C 2.543 178.359 175.900 -0.139 0.000 1.143 526 Y CA 1.078 59.060 58.100 -0.198 0.000 1.257 526 Y CB -1.064 37.381 38.460 -0.024 0.000 0.984 526 Y HN 0.159 nan 8.280 nan 0.000 0.550 527 G N -1.380 107.433 108.800 0.021 0.000 2.426 527 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.214 527 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.214 527 G C 1.575 176.473 174.900 -0.004 0.000 1.156 527 G CA 0.424 45.563 45.100 0.064 0.000 0.802 527 G HN 0.400 nan 8.290 nan 0.000 0.534 528 F N 1.377 121.131 119.950 -0.326 0.000 2.051 528 F HA 0.021 4.546 4.527 -0.002 0.000 0.296 528 F C 2.188 177.831 175.800 -0.263 0.000 1.122 528 F CA 1.335 59.129 58.000 -0.344 0.000 1.201 528 F CB -0.517 38.034 39.000 -0.747 0.000 0.978 528 F HN 0.074 nan 8.300 nan 0.000 0.472 529 L N -0.375 120.514 121.223 -0.556 0.000 2.261 529 L HA -0.191 4.148 4.340 -0.002 0.000 0.216 529 L C 0.593 177.159 176.870 -0.507 0.000 1.114 529 L CA 1.610 56.043 54.840 -0.678 0.000 0.777 529 L CB -1.022 40.692 42.059 -0.574 0.000 0.910 529 L HN 0.294 nan 8.230 nan 0.000 0.440 530 Y N 0.060 120.278 120.300 -0.137 0.000 2.756 530 Y HA 0.527 5.076 4.550 -0.002 0.000 0.300 530 Y C 1.487 177.354 175.900 -0.054 0.000 1.113 530 Y CA -1.063 56.992 58.100 -0.076 0.000 1.291 530 Y CB -0.332 38.121 38.460 -0.011 0.000 1.175 530 Y HN 0.126 nan 8.280 nan 0.000 0.534 531 G N 0.621 109.417 108.800 -0.006 0.000 2.298 531 G HA2 -0.088 3.870 3.960 -0.002 0.000 0.287 531 G HA3 -0.088 3.870 3.960 -0.002 0.000 0.287 531 G C 0.213 175.153 174.900 0.066 0.000 1.075 531 G CA 0.070 45.181 45.100 0.020 0.000 0.960 531 G HN 0.691 nan 8.290 nan 0.000 0.502 532 A N -0.045 122.804 122.820 0.049 0.000 2.327 532 A HA 0.834 5.153 4.320 -0.002 0.000 0.283 532 A C 1.245 178.872 177.584 0.072 0.000 1.127 532 A CA 0.582 52.666 52.037 0.079 0.000 0.810 532 A CB 0.725 19.783 19.000 0.097 0.000 1.066 532 A HN 1.867 nan 8.150 nan 0.000 0.492 533 G N 0.561 109.400 108.800 0.064 0.000 2.614 533 G HA2 0.236 4.195 3.960 -0.002 0.000 0.239 533 G HA3 0.236 4.195 3.960 -0.002 0.000 0.239 533 G C 0.364 175.311 174.900 0.080 0.000 1.240 533 G CA -0.031 45.103 45.100 0.057 0.000 0.842 533 G HN 0.746 nan 8.290 nan 0.000 0.584 534 D N -0.186 120.259 120.400 0.075 0.000 2.158 534 D HA -0.153 4.486 4.640 -0.002 0.000 0.197 534 D C 1.969 178.318 176.300 0.081 0.000 0.995 534 D CA 1.577 55.631 54.000 0.090 0.000 0.846 534 D CB 0.104 40.947 40.800 0.071 0.000 0.941 534 D HN 0.760 nan 8.370 nan 0.000 0.456 535 E N 0.508 120.746 120.200 0.062 0.000 2.028 535 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 535 E C 2.101 178.742 176.600 0.068 0.000 0.988 535 E CA 0.999 57.433 56.400 0.056 0.000 0.799 535 E CB -0.010 29.715 29.700 0.043 0.000 0.755 535 E HN 0.138 nan 8.360 nan 0.000 0.447 536 A N 1.479 124.343 122.820 0.072 0.000 1.892 536 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 536 A C 2.154 179.802 177.584 0.107 0.000 1.188 536 A CA 1.614 53.700 52.037 0.082 0.000 0.631 536 A CB -0.675 18.375 19.000 0.082 0.000 0.822 536 A HN 0.359 nan 8.150 nan 0.000 0.447 537 I N -0.229 120.421 120.570 0.133 0.000 2.142 537 I HA -0.198 3.970 4.170 -0.002 0.000 0.240 537 I C 2.755 178.957 176.117 0.142 0.000 1.078 537 I CA 1.662 63.075 61.300 0.188 0.000 1.343 537 I CB -2.015 36.131 38.000 0.244 0.000 1.046 537 I HN 0.370 nan 8.210 nan 0.000 0.405 538 G N -0.016 108.845 108.800 0.101 0.000 2.442 538 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.219 538 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.219 538 G C 1.596 176.527 174.900 0.052 0.000 1.141 538 G CA 0.844 45.981 45.100 0.062 0.000 0.763 538 G HN 0.483 nan 8.290 nan 0.000 0.554 539 Q N -0.069 119.767 119.800 0.061 0.000 2.061 539 Q HA -0.094 4.245 4.340 -0.002 0.000 0.204 539 Q C 2.563 178.596 176.000 0.054 0.000 0.984 539 Q CA 1.376 57.211 55.803 0.053 0.000 0.846 539 Q CB -0.235 28.537 28.738 0.057 0.000 0.902 539 Q HN 0.569 nan 8.270 nan 0.000 0.421 540 I N 0.530 121.145 120.570 0.075 0.000 2.286 540 I HA -0.154 4.015 4.170 -0.002 0.000 0.248 540 I C 0.797 176.946 176.117 0.054 0.000 1.115 540 I CA 0.721 62.070 61.300 0.081 0.000 1.392 540 I CB 0.221 38.299 38.000 0.130 0.000 1.065 540 I HN 0.150 nan 8.210 nan 0.000 0.418 541 V N -1.564 118.370 119.914 0.033 0.000 2.454 541 V HA 0.580 4.699 4.120 -0.002 0.000 0.267 541 V C 0.157 176.230 176.094 -0.035 0.000 0.993 541 V CA -0.622 61.659 62.300 -0.032 0.000 0.836 541 V CB 0.477 32.215 31.823 -0.142 0.000 1.055 541 V HN 0.146 nan 8.190 nan 0.000 0.452 542 G N 2.854 111.654 108.800 0.000 0.000 3.717 542 G HA2 0.593 4.552 3.960 -0.002 0.000 0.258 542 G HA3 0.593 4.552 3.960 -0.002 0.000 0.258 542 G C 0.514 175.423 174.900 0.014 0.000 1.088 542 G CA 0.443 45.551 45.100 0.014 0.000 1.737 542 G HN 1.249 nan 8.290 nan 0.000 0.648 543 A N 0.493 123.318 122.820 0.009 0.000 2.599 543 A HA 0.860 5.179 4.320 -0.002 0.000 0.257 543 A C 1.224 178.820 177.584 0.020 0.000 1.641 543 A CA 0.237 52.281 52.037 0.011 0.000 0.842 543 A CB -0.246 18.756 19.000 0.003 0.000 1.599 543 A HN 0.735 nan 8.150 nan 0.000 0.585 544 G N -2.557 106.255 108.800 0.020 0.000 2.543 544 G HA2 0.390 4.349 3.960 -0.002 0.000 0.290 544 G HA3 0.390 4.349 3.960 -0.002 0.000 0.290 544 G C 0.872 175.791 174.900 0.031 0.000 1.310 544 G CA 0.373 45.489 45.100 0.026 0.000 1.025 544 G HN 1.093 nan 8.290 nan 0.000 0.502 545 K N -1.062 119.358 120.400 0.033 0.000 2.519 545 K HA 0.004 4.323 4.320 -0.002 0.000 0.196 545 K C 1.688 178.312 176.600 0.040 0.000 1.041 545 K CA 1.785 58.096 56.287 0.040 0.000 0.954 545 K CB -0.363 32.158 32.500 0.035 0.000 0.774 545 K HN 0.540 nan 8.250 nan 0.000 0.480 546 E N 0.655 120.873 120.200 0.031 0.000 2.076 546 E HA 0.070 4.419 4.350 -0.002 0.000 0.190 546 E C 2.160 178.778 176.600 0.031 0.000 0.979 546 E CA 1.065 57.482 56.400 0.029 0.000 0.807 546 E CB -0.343 29.369 29.700 0.020 0.000 0.761 546 E HN 0.398 nan 8.360 nan 0.000 0.454 547 R N 1.029 121.544 120.500 0.025 0.000 2.062 547 R HA 0.019 4.358 4.340 -0.002 0.000 0.231 547 R C 1.141 177.461 176.300 0.034 0.000 1.136 547 R CA 1.566 57.675 56.100 0.016 0.000 0.948 547 R CB -0.965 29.337 30.300 0.002 0.000 0.845 547 R HN 0.154 nan 8.270 nan 0.000 0.430 548 G N 0.388 109.219 108.800 0.052 0.000 3.008 548 G HA2 0.166 4.124 3.960 -0.002 0.000 0.272 548 G HA3 0.166 4.124 3.960 -0.002 0.000 0.272 548 G C 0.332 175.297 174.900 0.108 0.000 0.764 548 G CA -0.062 45.094 45.100 0.094 0.000 2.029 548 G HN 0.229 nan 8.290 nan 0.000 0.587 549 K N 0.254 120.721 120.400 0.112 0.000 2.623 549 K HA -0.050 4.269 4.320 -0.002 0.000 0.162 549 K C 1.603 178.268 176.600 0.109 0.000 2.231 549 K CA 0.460 56.814 56.287 0.112 0.000 1.364 549 K CB -0.440 32.106 32.500 0.075 0.000 2.500 549 K HN 0.380 nan 8.250 nan 0.000 0.525 550 E N 1.305 121.551 120.200 0.077 0.000 2.150 550 E HA -0.088 4.261 4.350 -0.002 0.000 0.193 550 E C 1.620 178.271 176.600 0.084 0.000 0.985 550 E CA 1.012 57.449 56.400 0.060 0.000 0.814 550 E CB 0.128 29.845 29.700 0.030 0.000 0.752 550 E HN -0.002 nan 8.360 nan 0.000 0.466 551 L N 1.234 122.520 121.223 0.104 0.000 2.179 551 L HA -0.086 4.253 4.340 -0.002 0.000 0.208 551 L C 2.203 179.242 176.870 0.283 0.000 1.096 551 L CA 1.576 56.513 54.840 0.160 0.000 0.779 551 L CB -0.292 41.784 42.059 0.027 0.000 0.922 551 L HN -0.052 nan 8.230 nan 0.000 0.443 552 K N -0.294 120.277 120.400 0.286 0.000 2.103 552 K HA -0.213 4.106 4.320 -0.002 0.000 0.204 552 K C 2.224 179.044 176.600 0.368 0.000 1.052 552 K CA 1.284 57.828 56.287 0.428 0.000 0.945 552 K CB 0.039 32.770 32.500 0.385 0.000 0.722 552 K HN 0.203 nan 8.250 nan 0.000 0.443 553 K N 1.326 121.860 120.400 0.224 0.000 1.984 553 K HA -0.199 4.120 4.320 -0.002 0.000 0.209 553 K C 2.176 178.852 176.600 0.125 0.000 1.046 553 K CA 1.601 57.983 56.287 0.158 0.000 0.934 553 K CB -0.173 32.385 32.500 0.097 0.000 0.717 553 K HN 0.001 nan 8.250 nan 0.000 0.438 554 K N -0.363 120.086 120.400 0.081 0.000 2.059 554 K HA -0.197 4.122 4.320 -0.002 0.000 0.212 554 K C 1.907 178.438 176.600 -0.114 0.000 1.050 554 K CA 2.061 58.322 56.287 -0.042 0.000 0.927 554 K CB -0.206 32.229 32.500 -0.109 0.000 0.714 554 K HN 0.171 nan 8.250 nan 0.000 0.447 555 F N 0.109 120.020 119.950 -0.064 0.000 2.270 555 F HA -0.040 4.487 4.527 -0.001 0.000 0.295 555 F C 2.010 177.855 175.800 0.075 0.000 1.087 555 F CA 0.257 58.185 58.000 -0.120 0.000 1.365 555 F CB -0.217 38.460 39.000 -0.538 0.000 1.056 555 F HN 0.038 nan 8.300 nan 0.000 0.506 556 L N 0.287 121.759 121.223 0.415 0.000 2.141 556 L HA -0.108 4.231 4.340 -0.002 0.000 0.209 556 L C 1.864 178.858 176.870 0.207 0.000 1.094 556 L CA 1.800 56.893 54.840 0.422 0.000 0.763 556 L CB -0.591 41.698 42.059 0.383 0.000 0.908 556 L HN -0.058 nan 8.230 nan 0.000 0.437 557 E N -0.737 119.548 120.200 0.142 0.000 2.158 557 E HA -0.115 4.233 4.350 -0.002 0.000 0.191 557 E C 1.683 178.316 176.600 0.055 0.000 0.982 557 E CA 0.681 57.127 56.400 0.076 0.000 0.823 557 E CB -0.300 29.427 29.700 0.044 0.000 0.766 557 E HN 0.457 nan 8.360 nan 0.000 0.468 558 N N 0.232 118.958 118.700 0.043 0.000 2.515 558 N HA -0.049 4.690 4.740 -0.002 0.000 0.191 558 N C -1.125 174.448 175.510 0.105 0.000 1.182 558 N CA 0.629 53.693 53.050 0.023 0.000 0.879 558 N CB 0.246 38.687 38.487 -0.076 0.000 0.984 558 N HN 0.009 nan 8.380 nan 0.000 0.453 559 T N -3.155 111.479 114.554 0.133 0.000 3.888 559 T HA 0.156 4.505 4.350 -0.002 0.000 0.274 559 T C -2.536 172.222 174.700 0.097 0.000 0.639 559 T CA -0.935 61.255 62.100 0.151 0.000 1.047 559 T CB 1.312 70.315 68.868 0.224 0.000 1.111 559 T HN -0.115 nan 8.240 nan 0.000 0.497 560 P HA 0.139 nan 4.420 nan 0.000 0.236 560 P C 1.567 178.847 177.300 -0.034 0.000 1.177 560 P CA 0.381 63.493 63.100 0.021 0.000 0.773 560 P CB 0.024 31.738 31.700 0.023 0.000 0.878 561 A N 0.409 123.217 122.820 -0.020 0.000 2.067 561 A HA -0.089 4.230 4.320 -0.002 0.000 0.219 561 A C 2.174 179.633 177.584 -0.209 0.000 1.158 561 A CA 0.824 52.806 52.037 -0.091 0.000 0.661 561 A CB -1.396 17.628 19.000 0.040 0.000 0.801 561 A HN 0.150 nan 8.150 nan 0.000 0.452 562 I N -0.554 119.939 120.570 -0.127 0.000 2.493 562 I HA -0.222 3.947 4.170 -0.002 0.000 0.254 562 I C 2.756 178.764 176.117 -0.182 0.000 1.160 562 I CA 0.845 62.056 61.300 -0.149 0.000 1.445 562 I CB -0.184 37.760 38.000 -0.093 0.000 1.086 562 I HN 0.364 nan 8.210 nan 0.000 0.433 563 A N 0.666 123.388 122.820 -0.163 0.000 1.930 563 A HA 0.043 4.362 4.320 -0.002 0.000 0.215 563 A C 2.544 179.985 177.584 -0.238 0.000 1.176 563 A CA 1.306 53.251 52.037 -0.154 0.000 0.632 563 A CB -0.517 18.428 19.000 -0.091 0.000 0.819 563 A HN 0.371 nan 8.150 nan 0.000 0.445 564 A N -0.179 122.410 122.820 -0.385 0.000 1.873 564 A HA -0.018 4.300 4.320 -0.002 0.000 0.215 564 A C 2.097 179.233 177.584 -0.748 0.000 1.186 564 A CA 1.669 53.343 52.037 -0.606 0.000 0.616 564 A CB -0.714 17.704 19.000 -0.968 0.000 0.823 564 A HN 0.648 nan 8.150 nan 0.000 0.442 565 L N 0.045 120.749 121.223 -0.865 0.000 2.042 565 L HA -0.180 4.158 4.340 -0.002 0.000 0.210 565 L C 2.458 179.201 176.870 -0.211 0.000 1.076 565 L CA 2.029 56.594 54.840 -0.457 0.000 0.749 565 L CB -0.581 41.334 42.059 -0.239 0.000 0.893 565 L HN 0.356 nan 8.230 nan 0.000 0.432 566 R N -0.814 119.567 120.500 -0.198 0.000 2.081 566 R HA -0.132 4.206 4.340 -0.002 0.000 0.235 566 R C 2.152 178.391 176.300 -0.101 0.000 1.131 566 R CA 1.299 57.324 56.100 -0.124 0.000 0.960 566 R CB -0.341 29.892 30.300 -0.112 0.000 0.856 566 R HN 0.405 nan 8.270 nan 0.000 0.436 567 E N 0.446 120.576 120.200 -0.116 0.000 2.077 567 E HA -0.117 4.232 4.350 -0.002 0.000 0.193 567 E C 2.087 178.659 176.600 -0.046 0.000 0.989 567 E CA 1.228 57.583 56.400 -0.076 0.000 0.800 567 E CB -0.154 29.502 29.700 -0.073 0.000 0.746 567 E HN 0.174 nan 8.360 nan 0.000 0.452 568 S N 1.153 116.836 115.700 -0.029 0.000 2.353 568 S HA -0.158 4.311 4.470 -0.002 0.000 0.222 568 S C 2.042 176.641 174.600 -0.003 0.000 1.035 568 S CA 0.982 59.200 58.200 0.029 0.000 1.025 568 S CB -0.214 63.066 63.200 0.134 0.000 0.902 568 S HN 0.179 nan 8.310 nan 0.000 0.440 569 I N 1.994 122.549 120.570 -0.024 0.000 2.113 569 I HA -0.214 3.954 4.170 -0.002 0.000 0.242 569 I C 2.662 178.756 176.117 -0.038 0.000 1.064 569 I CA 1.558 62.834 61.300 -0.040 0.000 1.320 569 I CB -1.611 36.354 38.000 -0.058 0.000 1.028 569 I HN 0.334 nan 8.210 nan 0.000 0.406 570 Q N 0.260 120.033 119.800 -0.045 0.000 2.030 570 Q HA -0.247 4.092 4.340 -0.002 0.000 0.204 570 Q C 2.223 178.193 176.000 -0.051 0.000 0.986 570 Q CA 1.581 57.351 55.803 -0.055 0.000 0.843 570 Q CB -0.475 28.226 28.738 -0.062 0.000 0.904 570 Q HN 0.470 nan 8.270 nan 0.000 0.420 571 Q N -0.439 119.337 119.800 -0.039 0.000 2.439 571 Q HA -0.044 4.294 4.340 -0.002 0.000 0.211 571 Q C 1.494 177.475 176.000 -0.032 0.000 0.978 571 Q CA 1.165 56.949 55.803 -0.033 0.000 0.897 571 Q CB -0.094 28.634 28.738 -0.018 0.000 0.956 571 Q HN 0.308 nan 8.270 nan 0.000 0.483 572 T N -1.112 113.422 114.554 -0.034 0.000 3.040 572 T HA 0.198 4.547 4.350 -0.002 0.000 0.252 572 T C 1.340 176.005 174.700 -0.057 0.000 1.064 572 T CA 0.304 62.374 62.100 -0.049 0.000 1.110 572 T CB 0.349 69.185 68.868 -0.053 0.000 0.921 572 T HN 0.141 nan 8.240 nan 0.000 0.480 573 L N -0.053 121.157 121.223 -0.021 0.000 2.435 573 L HA 0.335 4.674 4.340 -0.002 0.000 0.195 573 L C 0.463 177.392 176.870 0.098 0.000 1.072 573 L CA 0.115 54.991 54.840 0.059 0.000 0.833 573 L CB 0.104 42.253 42.059 0.151 0.000 1.081 573 L HN -0.021 nan 8.230 nan 0.000 0.485 574 V N 0.532 120.425 119.914 -0.036 0.000 2.686 574 V HA 0.081 4.199 4.120 -0.002 0.000 0.295 574 V C 0.823 176.842 176.094 -0.125 0.000 1.057 574 V CA 0.038 62.232 62.300 -0.177 0.000 1.012 574 V CB 1.813 33.454 31.823 -0.303 0.000 1.006 574 V HN 0.230 nan 8.190 nan 0.000 0.477 575 E N 1.927 122.039 120.200 -0.146 0.000 2.290 575 E HA 0.192 4.541 4.350 -0.002 0.000 0.199 575 E C 0.286 176.815 176.600 -0.117 0.000 0.912 575 E CA 0.899 57.241 56.400 -0.096 0.000 0.924 575 E CB 0.677 30.341 29.700 -0.061 0.000 0.901 575 E HN 0.935 nan 8.360 nan 0.000 0.487 576 S N -1.632 113.964 115.700 -0.174 0.000 2.710 576 S HA 0.535 5.004 4.470 -0.002 0.000 0.274 576 S C -0.913 173.544 174.600 -0.238 0.000 1.029 576 S CA -0.463 57.636 58.200 -0.169 0.000 0.864 576 S CB 0.479 63.614 63.200 -0.108 0.000 1.103 576 S HN 0.468 nan 8.310 nan 0.000 0.460 577 S N 0.257 115.817 115.700 -0.234 0.000 2.588 577 S HA 0.702 5.171 4.470 -0.002 0.000 0.269 577 S C -0.784 173.666 174.600 -0.250 0.000 1.157 577 S CA -0.831 57.190 58.200 -0.298 0.000 0.824 577 S CB 1.628 64.557 63.200 -0.452 0.000 1.126 577 S HN 0.916 nan 8.310 nan 0.000 0.464 578 Q N -0.159 119.488 119.800 -0.256 0.000 2.997 578 Q HA 0.534 4.873 4.340 -0.002 0.000 0.195 578 Q C -0.771 175.097 176.000 -0.220 0.000 1.138 578 Q CA -0.525 55.193 55.803 -0.143 0.000 0.552 578 Q CB 0.705 29.408 28.738 -0.059 0.000 4.881 578 Q HN 0.821 nan 8.270 nan 0.000 0.330 579 W N -0.537 120.744 121.300 -0.032 0.000 0.421 579 W HA 0.193 4.852 4.660 -0.002 0.000 0.220 579 W C -1.265 175.244 176.519 -0.017 0.000 0.624 579 W CA -0.311 57.018 57.345 -0.027 0.000 0.834 579 W CB 0.783 30.224 29.460 -0.030 0.000 0.768 579 W HN 0.103 nan 8.180 nan 0.000 0.394 580 V N 2.886 122.905 119.914 0.176 0.000 2.399 580 V HA 0.376 4.495 4.120 -0.002 0.000 0.245 580 V C 1.013 177.178 176.094 0.118 0.000 1.089 580 V CA 1.284 63.654 62.300 0.116 0.000 1.196 580 V CB -1.199 30.661 31.823 0.061 0.000 1.221 580 V HN 0.440 nan 8.190 nan 0.000 0.482 581 A N 4.080 126.972 122.820 0.120 0.000 6.581 581 A HA 0.065 4.384 4.320 -0.002 0.000 0.228 581 A C 0.877 178.538 177.584 0.129 0.000 2.346 581 A CA -0.162 51.931 52.037 0.093 0.000 0.681 581 A CB -1.423 17.617 19.000 0.066 0.000 0.930 581 A HN 1.858 nan 8.150 nan 0.000 0.360 582 G N -0.011 108.843 108.800 0.090 0.000 2.734 582 G HA2 0.538 4.497 3.960 -0.002 0.000 0.287 582 G HA3 0.538 4.497 3.960 -0.002 0.000 0.287 582 G C 0.170 175.147 174.900 0.128 0.000 0.728 582 G CA 1.700 46.861 45.100 0.101 0.000 1.999 582 G HN 1.736 nan 8.290 nan 0.000 0.535 583 E N 0.198 120.517 120.200 0.198 0.000 1.337 583 E HA 0.513 4.862 4.350 -0.002 0.000 0.123 583 E C -0.574 176.120 176.600 0.157 0.000 2.172 583 E CA -0.707 55.786 56.400 0.156 0.000 1.281 583 E CB 0.445 30.202 29.700 0.095 0.000 1.370 583 E HN 0.287 nan 8.360 nan 0.000 0.792 584 Q N -0.355 119.456 119.800 0.018 0.000 2.774 584 Q HA 0.396 4.734 4.340 -0.002 0.000 0.232 584 Q C -2.003 173.916 176.000 -0.136 0.000 0.985 584 Q CA -0.276 55.413 55.803 -0.191 0.000 1.058 584 Q CB 1.304 29.887 28.738 -0.259 0.000 1.789 584 Q HN 0.375 nan 8.270 nan 0.000 0.487 585 Q N 2.520 122.199 119.800 -0.202 0.000 2.320 585 Q HA 0.627 4.966 4.340 -0.002 0.000 0.268 585 Q C -1.155 174.713 176.000 -0.219 0.000 1.023 585 Q CA -0.457 55.270 55.803 -0.127 0.000 0.744 585 Q CB 2.197 30.890 28.738 -0.076 0.000 1.246 585 Q HN 0.500 nan 8.270 nan 0.000 0.462 586 V N 2.007 121.795 119.914 -0.210 0.000 2.769 586 V HA 0.479 4.597 4.120 -0.002 0.000 0.312 586 V C -0.096 175.799 176.094 -0.331 0.000 1.061 586 V CA -0.911 61.131 62.300 -0.429 0.000 0.931 586 V CB 2.500 33.804 31.823 -0.866 0.000 1.010 586 V HN 0.488 nan 8.190 nan 0.000 0.433 587 K N 3.224 123.416 120.400 -0.346 0.000 2.334 587 K HA 0.357 4.676 4.320 -0.002 0.000 0.265 587 K C -1.488 175.020 176.600 -0.153 0.000 1.039 587 K CA -0.296 55.911 56.287 -0.133 0.000 0.920 587 K CB 0.966 33.412 32.500 -0.090 0.000 1.160 587 K HN 0.586 nan 8.250 nan 0.000 0.451 588 W N 2.458 123.725 121.300 -0.055 0.000 2.375 588 W HA 0.317 4.976 4.660 -0.002 0.000 0.336 588 W C 1.155 177.633 176.519 -0.069 0.000 1.160 588 W CA -0.738 56.565 57.345 -0.070 0.000 1.266 588 W CB 0.596 30.012 29.460 -0.074 0.000 1.195 588 W HN 0.407 nan 8.180 nan 0.000 0.599 589 K N 0.656 121.152 120.400 0.160 0.000 2.211 589 K HA 0.099 4.418 4.320 -0.002 0.000 0.201 589 K C 0.425 177.025 176.600 -0.000 0.000 1.052 589 K CA 0.530 56.846 56.287 0.048 0.000 0.973 589 K CB 0.525 33.024 32.500 -0.002 0.000 0.766 589 K HN 0.368 nan 8.250 nan 0.000 0.466 590 R N 0.325 120.810 120.500 -0.024 0.000 2.647 590 R HA 0.147 4.486 4.340 -0.002 0.000 0.260 590 R C -1.015 175.116 176.300 -0.282 0.000 1.154 590 R CA -0.379 55.577 56.100 -0.240 0.000 1.029 590 R CB 1.135 31.137 30.300 -0.496 0.000 1.262 590 R HN -0.148 nan 8.270 nan 0.000 0.437 591 R N 4.890 125.177 120.500 -0.355 0.000 2.568 591 R HA 0.213 4.551 4.340 -0.002 0.000 0.288 591 R C -0.979 175.126 176.300 -0.325 0.000 1.077 591 R CA -0.051 55.709 56.100 -0.567 0.000 1.102 591 R CB 0.400 30.151 30.300 -0.915 0.000 1.278 591 R HN 0.535 nan 8.270 nan 0.000 0.560 592 W N -0.420 120.754 121.300 -0.208 0.000 3.074 592 W HA 0.460 5.119 4.660 -0.002 0.000 0.332 592 W C -1.675 174.785 176.519 -0.097 0.000 1.253 592 W CA -1.153 56.098 57.345 -0.157 0.000 1.180 592 W CB 0.580 29.981 29.460 -0.098 0.000 1.445 592 W HN -0.287 nan 8.180 nan 0.000 0.573 593 I N 1.645 122.392 120.570 0.295 0.000 2.846 593 I HA 0.337 4.506 4.170 -0.002 0.000 0.307 593 I C -0.083 176.263 176.117 0.382 0.000 1.053 593 I CA -1.250 60.161 61.300 0.184 0.000 1.050 593 I CB 2.472 40.495 38.000 0.039 0.000 1.239 593 I HN 0.282 nan 8.210 nan 0.000 0.439 594 K N 2.051 122.624 120.400 0.288 0.000 2.276 594 K HA 0.429 4.748 4.320 -0.002 0.000 0.285 594 K C 0.007 176.690 176.600 0.138 0.000 1.062 594 K CA -0.226 56.221 56.287 0.266 0.000 0.918 594 K CB 1.182 33.832 32.500 0.250 0.000 1.055 594 K HN 0.839 nan 8.250 nan 0.000 0.477 595 G N 2.603 111.460 108.800 0.095 0.000 2.562 595 G HA2 0.116 4.075 3.960 -0.002 0.000 0.275 595 G HA3 0.116 4.075 3.960 -0.002 0.000 0.275 595 G C 0.971 175.833 174.900 -0.064 0.000 1.196 595 G CA -0.643 44.478 45.100 0.035 0.000 0.908 595 G HN 0.716 nan 8.290 nan 0.000 0.524 596 L N -0.190 120.910 121.223 -0.205 0.000 2.351 596 L HA -0.086 4.253 4.340 -0.002 0.000 0.220 596 L C 1.658 178.070 176.870 -0.763 0.000 1.127 596 L CA 1.569 56.053 54.840 -0.593 0.000 0.786 596 L CB -0.248 41.194 42.059 -1.029 0.000 0.914 596 L HN 0.706 nan 8.230 nan 0.000 0.443 597 D N -2.097 118.098 120.400 -0.341 0.000 2.440 597 D HA 0.182 4.821 4.640 -0.002 0.000 0.216 597 D C 1.271 177.587 176.300 0.026 0.000 1.150 597 D CA 0.447 54.435 54.000 -0.020 0.000 0.832 597 D CB 0.524 41.456 40.800 0.220 0.000 0.992 597 D HN 0.127 nan 8.370 nan 0.000 0.502 598 G N 1.081 109.872 108.800 -0.015 0.000 2.175 598 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.244 598 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.244 598 G C 0.432 175.360 174.900 0.046 0.000 0.982 598 G CA 0.104 45.202 45.100 -0.003 0.000 0.641 598 G HN 0.672 nan 8.290 nan 0.000 0.527 599 R N 0.445 120.980 120.500 0.058 0.000 2.649 599 R HA 0.583 4.922 4.340 -0.002 0.000 0.270 599 R C -0.269 176.008 176.300 -0.038 0.000 1.105 599 R CA -0.351 55.780 56.100 0.052 0.000 1.193 599 R CB 0.715 31.137 30.300 0.204 0.000 1.120 599 R HN 0.189 nan 8.270 nan 0.000 0.561 600 K N 0.847 121.105 120.400 -0.236 0.000 2.201 600 K HA 0.286 4.605 4.320 -0.002 0.000 0.278 600 K C -0.930 175.653 176.600 -0.029 0.000 1.027 600 K CA -0.633 55.450 56.287 -0.340 0.000 0.909 600 K CB 1.874 33.834 32.500 -0.900 0.000 1.062 600 K HN 0.285 nan 8.250 nan 0.000 0.465 601 V N 3.651 123.636 119.914 0.118 0.000 2.326 601 V HA 0.047 4.166 4.120 -0.002 0.000 0.281 601 V C -0.304 175.882 176.094 0.153 0.000 1.015 601 V CA -0.889 61.480 62.300 0.115 0.000 0.823 601 V CB 0.481 32.356 31.823 0.087 0.000 1.009 601 V HN 0.735 nan 8.190 nan 0.000 0.436 602 H N 4.178 123.270 119.070 0.038 0.000 3.034 602 H HA 0.202 4.757 4.556 -0.002 0.000 0.324 602 H C -0.422 174.885 175.328 -0.035 0.000 1.015 602 H CA 0.501 56.555 56.048 0.010 0.000 1.429 602 H CB 0.866 30.611 29.762 -0.028 0.000 1.429 602 H HN 0.388 nan 8.280 nan 0.000 0.585 603 V N 8.289 127.803 119.914 -0.667 0.000 2.294 603 V HA 0.169 4.288 4.120 -0.002 0.000 0.272 603 V C 1.193 176.863 176.094 -0.707 0.000 1.027 603 V CA -0.388 61.616 62.300 -0.493 0.000 0.823 603 V CB 0.952 32.607 31.823 -0.280 0.000 1.030 603 V HN 0.891 nan 8.190 nan 0.000 0.457 604 R N 1.989 122.264 120.500 -0.374 0.000 2.092 604 R HA 0.044 4.383 4.340 -0.002 0.000 0.231 604 R C 0.858 177.220 176.300 0.102 0.000 1.119 604 R CA 0.952 56.977 56.100 -0.124 0.000 0.970 604 R CB 0.145 30.467 30.300 0.036 0.000 0.864 604 R HN 0.576 nan 8.270 nan 0.000 0.440 605 S N -1.288 114.489 115.700 0.128 0.000 2.546 605 S HA 0.292 4.760 4.470 -0.002 0.000 0.272 605 S C -2.371 172.309 174.600 0.133 0.000 1.140 605 S CA -1.692 56.640 58.200 0.220 0.000 0.920 605 S CB 1.851 65.141 63.200 0.151 0.000 1.083 605 S HN -0.233 nan 8.310 nan 0.000 0.476 606 P HA -0.167 nan 4.420 nan 0.000 0.216 606 P C 1.331 178.628 177.300 -0.004 0.000 1.150 606 P CA 1.273 64.354 63.100 -0.032 0.000 0.843 606 P CB -0.198 31.367 31.700 -0.224 0.000 0.787 607 H N -0.983 118.080 119.070 -0.012 0.000 2.495 607 H HA 0.177 4.731 4.556 -0.002 0.000 0.287 607 H C 1.210 176.544 175.328 0.010 0.000 1.033 607 H CA 1.401 57.454 56.048 0.008 0.000 1.307 607 H CB -0.407 29.381 29.762 0.042 0.000 1.401 607 H HN 0.046 nan 8.280 nan 0.000 0.555 608 A N 0.767 123.213 122.820 -0.622 0.000 2.348 608 A HA 0.555 4.874 4.320 -0.002 0.000 0.224 608 A C 2.445 179.883 177.584 -0.243 0.000 1.227 608 A CA 0.467 52.217 52.037 -0.478 0.000 0.885 608 A CB -0.337 18.331 19.000 -0.554 0.000 0.933 608 A HN 0.534 nan 8.150 nan 0.000 0.506 609 A N 0.312 123.042 122.820 -0.151 0.000 1.903 609 A HA -0.183 4.136 4.320 -0.002 0.000 0.219 609 A C 2.025 179.542 177.584 -0.111 0.000 1.191 609 A CA 1.964 53.943 52.037 -0.098 0.000 0.638 609 A CB -0.578 18.395 19.000 -0.045 0.000 0.823 609 A HN 0.769 nan 8.150 nan 0.000 0.451 610 L N 0.900 122.073 121.223 -0.083 0.000 2.046 610 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 610 L C 2.163 179.001 176.870 -0.052 0.000 1.077 610 L CA 2.541 57.357 54.840 -0.041 0.000 0.747 610 L CB -0.917 41.166 42.059 0.041 0.000 0.896 610 L HN 0.606 nan 8.230 nan 0.000 0.432 611 N N -1.046 117.527 118.700 -0.211 0.000 2.043 611 N HA -0.226 4.513 4.740 -0.002 0.000 0.193 611 N C 1.582 176.861 175.510 -0.386 0.000 1.037 611 N CA 2.323 54.944 53.050 -0.715 0.000 0.851 611 N CB -0.180 37.747 38.487 -0.934 0.000 1.027 611 N HN 0.453 nan 8.380 nan 0.000 0.422 612 T N 2.138 116.537 114.554 -0.258 0.000 2.653 612 T HA -0.189 4.160 4.350 -0.002 0.000 0.268 612 T C 1.962 176.592 174.700 -0.117 0.000 1.035 612 T CA 1.400 63.403 62.100 -0.162 0.000 1.154 612 T CB -0.481 68.311 68.868 -0.128 0.000 0.862 612 T HN 0.201 nan 8.240 nan 0.000 0.441 613 L N 0.788 121.927 121.223 -0.139 0.000 1.989 613 L HA -0.031 4.308 4.340 -0.002 0.000 0.211 613 L C 2.229 179.042 176.870 -0.094 0.000 1.071 613 L CA 1.723 56.452 54.840 -0.186 0.000 0.749 613 L CB -0.660 41.192 42.059 -0.344 0.000 0.890 613 L HN 0.271 nan 8.230 nan 0.000 0.431 614 L N -1.209 120.014 121.223 0.001 0.000 2.072 614 L HA -0.179 4.160 4.340 -0.002 0.000 0.205 614 L C 2.655 179.633 176.870 0.179 0.000 1.079 614 L CA 1.497 56.461 54.840 0.207 0.000 0.752 614 L CB -0.737 41.544 42.059 0.371 0.000 0.906 614 L HN 0.442 nan 8.230 nan 0.000 0.436 615 Q N -0.327 119.498 119.800 0.042 0.000 2.124 615 Q HA -0.219 4.119 4.340 -0.002 0.000 0.202 615 Q C 2.432 178.467 176.000 0.059 0.000 0.977 615 Q CA 1.836 57.645 55.803 0.010 0.000 0.850 615 Q CB 0.031 28.698 28.738 -0.117 0.000 0.901 615 Q HN 0.369 nan 8.270 nan 0.000 0.429 616 S N -0.609 115.121 115.700 0.050 0.000 2.383 616 S HA -0.110 4.359 4.470 -0.002 0.000 0.227 616 S C 1.856 176.533 174.600 0.129 0.000 1.026 616 S CA 1.042 59.289 58.200 0.078 0.000 0.981 616 S CB -0.235 62.995 63.200 0.050 0.000 0.818 616 S HN 0.528 nan 8.310 nan 0.000 0.472 617 A N 0.989 123.920 122.820 0.185 0.000 1.855 617 A HA 0.149 4.468 4.320 -0.002 0.000 0.215 617 A C 2.375 180.081 177.584 0.203 0.000 1.191 617 A CA 1.774 53.962 52.037 0.252 0.000 0.613 617 A CB -1.736 17.585 19.000 0.534 0.000 0.829 617 A HN 0.612 nan 8.150 nan 0.000 0.442 618 G N -0.378 108.550 108.800 0.215 0.000 2.446 618 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.217 618 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.217 618 G C 1.788 176.818 174.900 0.217 0.000 1.168 618 G CA 1.796 47.008 45.100 0.187 0.000 0.771 618 G HN 0.839 nan 8.290 nan 0.000 0.551 619 A N 0.742 123.692 122.820 0.216 0.000 1.865 619 A HA -0.003 4.316 4.320 -0.002 0.000 0.217 619 A C 2.457 180.242 177.584 0.336 0.000 1.191 619 A CA 1.566 53.770 52.037 0.279 0.000 0.623 619 A CB -0.538 18.590 19.000 0.215 0.000 0.826 619 A HN 0.364 nan 8.150 nan 0.000 0.444 620 L N -0.740 120.646 121.223 0.272 0.000 2.131 620 L HA -0.153 4.185 4.340 -0.002 0.000 0.210 620 L C 2.447 179.605 176.870 0.480 0.000 1.092 620 L CA 0.942 55.980 54.840 0.329 0.000 0.759 620 L CB -0.539 41.620 42.059 0.167 0.000 0.903 620 L HN 0.398 nan 8.230 nan 0.000 0.435 621 I N -0.802 119.998 120.570 0.384 0.000 2.252 621 I HA -0.288 3.881 4.170 -0.002 0.000 0.245 621 I C 2.497 178.814 176.117 0.334 0.000 1.102 621 I CA 1.025 62.534 61.300 0.348 0.000 1.385 621 I CB -0.248 37.802 38.000 0.084 0.000 1.064 621 I HN 0.357 nan 8.210 nan 0.000 0.414 622 C N 0.426 119.957 119.300 0.387 0.000 2.432 622 C HA -0.120 4.339 4.460 -0.002 0.000 0.280 622 C C 2.751 178.011 174.990 0.449 0.000 1.353 622 C CA 0.650 60.005 59.018 0.562 0.000 1.766 622 C CB -0.913 27.254 27.740 0.711 0.000 1.924 622 C HN 0.423 nan 8.230 nan 0.000 0.509 623 K N 0.616 121.239 120.400 0.373 0.000 2.031 623 K HA -0.028 4.291 4.320 -0.002 0.000 0.205 623 K C 2.033 178.665 176.600 0.054 0.000 1.049 623 K CA 0.943 57.309 56.287 0.133 0.000 0.939 623 K CB -0.251 32.413 32.500 0.273 0.000 0.717 623 K HN 0.410 nan 8.250 nan 0.000 0.438 624 L N 0.238 121.561 121.223 0.166 0.000 2.141 624 L HA -0.171 4.168 4.340 -0.002 0.000 0.209 624 L C 2.156 179.064 176.870 0.064 0.000 1.094 624 L CA 1.054 55.927 54.840 0.054 0.000 0.763 624 L CB -0.301 41.726 42.059 -0.054 0.000 0.908 624 L HN 0.455 nan 8.230 nan 0.000 0.437 625 W N 1.654 122.925 121.300 -0.049 0.000 2.332 625 W HA -0.264 4.395 4.660 -0.001 0.000 0.321 625 W C 2.394 178.843 176.519 -0.117 0.000 1.219 625 W CA 2.445 59.757 57.345 -0.056 0.000 1.277 625 W CB -0.584 28.877 29.460 0.002 0.000 1.161 625 W HN 0.272 nan 8.180 nan 0.000 0.476 626 I N -1.432 118.907 120.570 -0.386 0.000 2.361 626 I HA -0.221 3.948 4.170 -0.002 0.000 0.251 626 I C 2.189 178.099 176.117 -0.345 0.000 1.133 626 I CA 1.705 62.658 61.300 -0.577 0.000 1.413 626 I CB -0.936 36.681 38.000 -0.638 0.000 1.073 626 I HN 0.057 nan 8.210 nan 0.000 0.424 627 I N 1.343 121.741 120.570 -0.285 0.000 2.202 627 I HA -0.229 3.940 4.170 -0.002 0.000 0.242 627 I C 2.634 178.575 176.117 -0.293 0.000 1.091 627 I CA 1.414 62.562 61.300 -0.255 0.000 1.368 627 I CB -0.315 37.565 38.000 -0.200 0.000 1.058 627 I HN 0.183 nan 8.210 nan 0.000 0.410 628 K N 0.836 121.050 120.400 -0.310 0.000 2.148 628 K HA -0.113 4.205 4.320 -0.002 0.000 0.204 628 K C 1.964 178.346 176.600 -0.363 0.000 1.050 628 K CA 1.625 57.660 56.287 -0.419 0.000 0.942 628 K CB -0.437 31.776 32.500 -0.479 0.000 0.724 628 K HN 0.174 nan 8.250 nan 0.000 0.446 629 T N 0.708 115.058 114.554 -0.340 0.000 2.674 629 T HA -0.139 4.210 4.350 -0.002 0.000 0.265 629 T C 1.548 176.061 174.700 -0.312 0.000 1.039 629 T CA 1.484 63.381 62.100 -0.339 0.000 1.150 629 T CB -0.246 68.334 68.868 -0.480 0.000 0.864 629 T HN 0.372 nan 8.240 nan 0.000 0.427 630 E N 0.820 120.853 120.200 -0.279 0.000 2.150 630 E HA -0.168 4.180 4.350 -0.002 0.000 0.193 630 E C 2.164 178.621 176.600 -0.238 0.000 0.985 630 E CA 0.940 57.161 56.400 -0.299 0.000 0.814 630 E CB -0.047 29.403 29.700 -0.417 0.000 0.752 630 E HN 0.603 nan 8.360 nan 0.000 0.466 631 E N -0.144 119.900 120.200 -0.259 0.000 2.106 631 E HA -0.151 4.198 4.350 -0.002 0.000 0.192 631 E C 2.115 178.574 176.600 -0.235 0.000 0.984 631 E CA 0.850 57.106 56.400 -0.241 0.000 0.806 631 E CB 0.045 29.567 29.700 -0.296 0.000 0.750 631 E HN 0.282 nan 8.360 nan 0.000 0.458 632 M N 0.093 119.531 119.600 -0.269 0.000 2.254 632 M HA -0.079 4.400 4.480 -0.002 0.000 0.265 632 M C 2.113 178.288 176.300 -0.208 0.000 1.066 632 M CA 0.845 56.003 55.300 -0.237 0.000 1.123 632 M CB 0.094 32.549 32.600 -0.242 0.000 1.388 632 M HN 0.185 nan 8.290 nan 0.000 0.425 633 L N -0.973 120.093 121.223 -0.261 0.000 2.056 633 L HA -0.147 4.192 4.340 -0.002 0.000 0.207 633 L C 2.281 179.081 176.870 -0.118 0.000 1.078 633 L CA 0.751 55.419 54.840 -0.288 0.000 0.749 633 L CB -0.558 41.106 42.059 -0.657 0.000 0.901 633 L HN 0.073 nan 8.230 nan 0.000 0.433 634 V N -0.271 119.611 119.914 -0.055 0.000 2.913 634 V HA -0.237 3.882 4.120 -0.002 0.000 0.260 634 V C 2.331 178.400 176.094 -0.043 0.000 1.098 634 V CA 1.483 63.789 62.300 0.011 0.000 1.121 634 V CB -0.296 31.530 31.823 0.005 0.000 0.714 634 V HN 0.452 nan 8.190 nan 0.000 0.487 635 E N 0.079 120.228 120.200 -0.084 0.000 2.122 635 E HA -0.096 4.253 4.350 -0.002 0.000 0.190 635 E C 1.766 178.324 176.600 -0.069 0.000 0.977 635 E CA 0.433 56.782 56.400 -0.085 0.000 0.820 635 E CB 0.113 29.745 29.700 -0.113 0.000 0.770 635 E HN 0.524 nan 8.360 nan 0.000 0.462 636 K N -0.459 119.896 120.400 -0.076 0.000 2.569 636 K HA 0.042 4.361 4.320 -0.002 0.000 0.193 636 K C 0.808 177.383 176.600 -0.040 0.000 1.026 636 K CA 0.483 56.731 56.287 -0.064 0.000 1.093 636 K CB 0.420 32.871 32.500 -0.083 0.000 0.849 636 K HN 0.290 nan 8.250 nan 0.000 0.509 637 G N 0.839 109.622 108.800 -0.028 0.000 2.176 637 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.253 637 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.253 637 G C -0.065 174.846 174.900 0.018 0.000 0.979 637 G CA -0.332 44.762 45.100 -0.011 0.000 0.641 637 G HN 0.100 nan 8.290 nan 0.000 0.530 638 L N 0.578 121.831 121.223 0.049 0.000 2.426 638 L HA 0.610 4.949 4.340 -0.002 0.000 0.271 638 L C 0.582 177.564 176.870 0.186 0.000 1.169 638 L CA -0.193 54.732 54.840 0.143 0.000 0.836 638 L CB 1.188 43.371 42.059 0.208 0.000 1.112 638 L HN 0.285 nan 8.230 nan 0.000 0.465 639 K N 1.892 122.354 120.400 0.102 0.000 2.213 639 K HA 0.229 4.548 4.320 -0.002 0.000 0.270 639 K C -0.641 175.775 176.600 -0.307 0.000 1.002 639 K CA -0.111 56.154 56.287 -0.036 0.000 0.868 639 K CB 0.440 32.923 32.500 -0.029 0.000 1.093 639 K HN 0.609 nan 8.250 nan 0.000 0.454 640 H N 2.846 121.551 119.070 -0.609 0.000 2.782 640 H HA 0.487 5.042 4.556 -0.002 0.000 0.285 640 H C -0.292 174.657 175.328 -0.633 0.000 1.093 640 H CA 0.076 55.467 56.048 -1.094 0.000 1.410 640 H CB 0.389 29.657 29.762 -0.823 0.000 1.439 640 H HN 0.911 nan 8.280 nan 0.000 0.469 641 G N 3.346 111.911 108.800 -0.392 0.000 2.352 641 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.305 641 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.305 641 G C -0.347 174.411 174.900 -0.236 0.000 1.537 641 G CA -0.855 44.014 45.100 -0.384 0.000 0.959 641 G HN 0.707 nan 8.290 nan 0.000 0.668 642 W N 0.054 121.235 121.300 -0.198 0.000 2.468 642 W HA 0.050 4.708 4.660 -0.002 0.000 0.262 642 W C 1.987 178.498 176.519 -0.014 0.000 1.241 642 W CA 0.914 58.058 57.345 -0.334 0.000 1.232 642 W CB 0.347 29.546 29.460 -0.435 0.000 1.124 642 W HN 0.647 nan 8.180 nan 0.000 0.597 643 D N -1.336 119.190 120.400 0.211 0.000 2.358 643 D HA 0.155 4.794 4.640 -0.002 0.000 0.224 643 D C 1.100 177.502 176.300 0.170 0.000 1.123 643 D CA 0.418 54.531 54.000 0.188 0.000 0.833 643 D CB -0.402 40.460 40.800 0.104 0.000 0.946 643 D HN 0.140 nan 8.370 nan 0.000 0.505 644 G N 0.171 109.100 108.800 0.216 0.000 3.364 644 G HA2 0.166 4.125 3.960 -0.002 0.000 0.191 644 G HA3 0.166 4.125 3.960 -0.002 0.000 0.191 644 G C 0.202 175.221 174.900 0.199 0.000 1.352 644 G CA -0.177 45.007 45.100 0.139 0.000 0.758 644 G HN 0.024 nan 8.290 nan 0.000 0.730 645 D N -0.902 119.563 120.400 0.109 0.000 2.473 645 D HA 0.209 4.848 4.640 -0.002 0.000 0.242 645 D C -0.131 176.215 176.300 0.077 0.000 1.106 645 D CA 0.403 54.429 54.000 0.043 0.000 0.854 645 D CB 1.440 42.294 40.800 0.090 0.000 1.192 645 D HN 0.294 nan 8.370 nan 0.000 0.503 646 F N 0.171 120.175 119.950 0.090 0.000 2.668 646 F HA 0.740 5.265 4.527 -0.002 0.000 0.309 646 F C -2.055 173.796 175.800 0.084 0.000 1.117 646 F CA -1.569 56.485 58.000 0.090 0.000 0.951 646 F CB 1.557 40.505 39.000 -0.086 0.000 1.323 646 F HN -0.163 nan 8.300 nan 0.000 0.451 647 A N 1.737 124.596 122.820 0.065 0.000 2.456 647 A HA 0.608 4.927 4.320 -0.002 0.000 0.288 647 A C -2.245 175.329 177.584 -0.017 0.000 1.042 647 A CA -0.608 51.302 52.037 -0.213 0.000 0.738 647 A CB 0.446 18.755 19.000 -1.151 0.000 1.266 647 A HN 0.702 nan 8.150 nan 0.000 0.407 648 Y N 2.757 123.058 120.300 0.001 0.000 2.650 648 Y HA 0.135 4.683 4.550 -0.002 0.000 0.331 648 Y C 1.502 177.255 175.900 -0.245 0.000 1.165 648 Y CA 0.202 58.238 58.100 -0.106 0.000 1.473 648 Y CB 0.543 39.001 38.460 -0.005 0.000 1.224 648 Y HN 0.720 nan 8.280 nan 0.000 0.533 649 M N 2.148 121.553 119.600 -0.324 0.000 2.615 649 M HA 0.365 4.843 4.480 -0.002 0.000 0.262 649 M C 0.443 176.456 176.300 -0.478 0.000 1.198 649 M CA 0.547 55.506 55.300 -0.568 0.000 1.165 649 M CB 0.553 32.443 32.600 -1.183 0.000 1.310 649 M HN 0.568 nan 8.290 nan 0.000 0.494 650 A N -0.432 122.170 122.820 -0.363 0.000 2.597 650 A HA 0.531 4.850 4.320 -0.002 0.000 0.292 650 A C -2.628 174.974 177.584 0.030 0.000 1.057 650 A CA -0.483 51.485 52.037 -0.116 0.000 0.674 650 A CB 0.816 19.731 19.000 -0.142 0.000 1.278 650 A HN 0.363 nan 8.150 nan 0.000 0.416 651 W N 1.965 123.241 121.300 -0.040 0.000 2.631 651 W HA 0.591 5.249 4.660 -0.002 0.000 0.321 651 W C -1.943 174.606 176.519 0.050 0.000 1.004 651 W CA -0.892 56.456 57.345 0.006 0.000 1.291 651 W CB 1.474 30.967 29.460 0.054 0.000 1.300 651 W HN 0.510 nan 8.180 nan 0.000 0.422 652 V N 9.420 129.291 119.914 -0.070 0.000 2.220 652 V HA 0.231 4.350 4.120 -0.002 0.000 0.265 652 V C 0.863 176.783 176.094 -0.290 0.000 1.078 652 V CA -0.015 62.083 62.300 -0.337 0.000 0.872 652 V CB -0.174 31.619 31.823 -0.049 0.000 1.121 652 V HN 0.812 nan 8.190 nan 0.000 0.460 653 H N 2.725 121.521 119.070 -0.457 0.000 1.885 653 H HA -0.228 4.326 4.556 -0.002 0.000 0.090 653 H C 1.185 176.621 175.328 0.181 0.000 0.597 653 H CA 2.237 58.146 56.048 -0.230 0.000 1.852 653 H CB -0.886 28.830 29.762 -0.077 0.000 2.184 653 H HN 0.842 nan 8.280 nan 0.000 0.953 654 D N 2.063 122.699 120.400 0.393 0.000 2.593 654 D HA 0.223 4.862 4.640 -0.002 0.000 0.241 654 D C 0.244 176.863 176.300 0.532 0.000 1.257 654 D CA 0.160 54.443 54.000 0.472 0.000 0.828 654 D CB 0.593 41.565 40.800 0.287 0.000 1.049 654 D HN 0.608 nan 8.370 nan 0.000 0.490 655 E N 1.051 121.577 120.200 0.543 0.000 2.292 655 E HA 0.487 4.835 4.350 -0.002 0.000 0.272 655 E C -1.025 175.824 176.600 0.416 0.000 0.881 655 E CA -0.928 55.770 56.400 0.497 0.000 0.754 655 E CB 2.183 32.147 29.700 0.438 0.000 1.201 655 E HN 0.248 nan 8.360 nan 0.000 0.425 656 I N 0.118 120.829 120.570 0.235 0.000 2.608 656 I HA 0.507 4.676 4.170 -0.002 0.000 0.295 656 I C -0.971 175.050 176.117 -0.160 0.000 1.049 656 I CA -1.006 60.265 61.300 -0.049 0.000 1.063 656 I CB 2.136 39.896 38.000 -0.400 0.000 1.248 656 I HN 0.265 nan 8.210 nan 0.000 0.424 657 Q N 4.750 124.361 119.800 -0.315 0.000 2.333 657 Q HA 0.602 4.941 4.340 -0.002 0.000 0.268 657 Q C -1.066 174.668 176.000 -0.442 0.000 1.007 657 Q CA -0.686 54.884 55.803 -0.388 0.000 0.810 657 Q CB 2.985 31.342 28.738 -0.634 0.000 1.264 657 Q HN 0.648 nan 8.270 nan 0.000 0.452 658 V N 0.980 120.705 119.914 -0.315 0.000 2.540 658 V HA 0.664 4.783 4.120 -0.002 0.000 0.302 658 V C 0.404 176.464 176.094 -0.058 0.000 1.035 658 V CA -0.969 61.189 62.300 -0.238 0.000 0.873 658 V CB 2.028 33.700 31.823 -0.252 0.000 0.992 658 V HN 0.812 nan 8.190 nan 0.000 0.428 659 G N 2.369 111.193 108.800 0.041 0.000 2.372 659 G HA2 0.483 4.442 3.960 -0.002 0.000 0.283 659 G HA3 0.483 4.442 3.960 -0.002 0.000 0.283 659 G C -0.499 174.686 174.900 0.475 0.000 1.177 659 G CA -0.149 45.152 45.100 0.335 0.000 0.842 659 G HN 0.794 nan 8.290 nan 0.000 0.503 660 C N 1.951 121.448 119.300 0.327 0.000 2.563 660 C HA 0.471 4.930 4.460 -0.002 0.000 0.314 660 C C 1.662 176.185 174.990 -0.778 0.000 1.199 660 C CA -0.754 58.182 59.018 -0.137 0.000 1.564 660 C CB 1.882 29.566 27.740 -0.093 0.000 2.173 660 C HN 1.044 nan 8.230 nan 0.000 0.485 661 R N 1.034 120.660 120.500 -1.456 0.000 2.148 661 R HA -0.023 4.316 4.340 -0.002 0.000 0.227 661 R C 0.677 176.566 176.300 -0.685 0.000 1.103 661 R CA 1.708 56.812 56.100 -1.660 0.000 0.983 661 R CB 0.149 29.809 30.300 -1.066 0.000 0.874 661 R HN 0.927 nan 8.270 nan 0.000 0.451 662 T N -4.299 110.012 114.554 -0.406 0.000 2.894 662 T HA 0.125 4.474 4.350 -0.002 0.000 0.309 662 T C 0.437 175.054 174.700 -0.138 0.000 1.208 662 T CA -0.889 61.086 62.100 -0.209 0.000 1.016 662 T CB 1.757 70.535 68.868 -0.149 0.000 1.192 662 T HN 0.151 nan 8.240 nan 0.000 0.491 663 E N 0.650 120.800 120.200 -0.084 0.000 2.114 663 E HA -0.281 4.068 4.350 -0.002 0.000 0.199 663 E C 1.651 178.217 176.600 -0.057 0.000 1.008 663 E CA 2.000 58.368 56.400 -0.053 0.000 0.810 663 E CB -0.038 29.643 29.700 -0.032 0.000 0.739 663 E HN 0.833 nan 8.360 nan 0.000 0.456 664 E N -0.017 120.146 120.200 -0.062 0.000 2.085 664 E HA -0.205 4.143 4.350 -0.002 0.000 0.194 664 E C 2.065 178.623 176.600 -0.070 0.000 0.994 664 E CA 1.425 57.791 56.400 -0.058 0.000 0.801 664 E CB -0.068 29.599 29.700 -0.055 0.000 0.743 664 E HN 0.384 nan 8.360 nan 0.000 0.453 665 I N 0.249 120.764 120.570 -0.092 0.000 2.439 665 I HA -0.174 3.995 4.170 -0.002 0.000 0.251 665 I C 2.371 178.428 176.117 -0.100 0.000 1.139 665 I CA 0.679 61.919 61.300 -0.100 0.000 1.438 665 I CB -0.163 37.763 38.000 -0.123 0.000 1.085 665 I HN 0.150 nan 8.210 nan 0.000 0.427 666 A N -0.098 122.670 122.820 -0.086 0.000 1.969 666 A HA -0.228 4.090 4.320 -0.002 0.000 0.218 666 A C 2.300 179.847 177.584 -0.062 0.000 1.169 666 A CA 1.242 53.238 52.037 -0.068 0.000 0.635 666 A CB -0.494 18.482 19.000 -0.040 0.000 0.810 666 A HN 0.428 nan 8.150 nan 0.000 0.445 667 Q N -0.287 119.481 119.800 -0.054 0.000 2.084 667 Q HA -0.124 4.215 4.340 -0.002 0.000 0.202 667 Q C 2.042 178.008 176.000 -0.056 0.000 0.978 667 Q CA 1.827 57.604 55.803 -0.043 0.000 0.844 667 Q CB -0.131 28.585 28.738 -0.036 0.000 0.898 667 Q HN 0.489 nan 8.270 nan 0.000 0.426 668 V N -0.186 119.683 119.914 -0.076 0.000 2.379 668 V HA -0.211 3.907 4.120 -0.002 0.000 0.245 668 V C 2.345 178.362 176.094 -0.127 0.000 1.044 668 V CA 1.175 63.419 62.300 -0.094 0.000 1.036 668 V CB -0.405 31.355 31.823 -0.105 0.000 0.664 668 V HN 0.176 nan 8.190 nan 0.000 0.453 669 V N 0.144 119.961 119.914 -0.161 0.000 2.231 669 V HA -0.321 3.797 4.120 -0.002 0.000 0.248 669 V C 2.229 178.240 176.094 -0.138 0.000 1.054 669 V CA 2.515 64.686 62.300 -0.213 0.000 1.015 669 V CB -0.532 31.154 31.823 -0.227 0.000 0.638 669 V HN 0.419 nan 8.190 nan 0.000 0.444 670 I N -0.250 120.270 120.570 -0.083 0.000 2.091 670 I HA -0.347 3.821 4.170 -0.002 0.000 0.239 670 I C 2.606 178.718 176.117 -0.009 0.000 1.061 670 I CA 2.163 63.447 61.300 -0.026 0.000 1.317 670 I CB -0.563 37.432 38.000 -0.008 0.000 1.031 670 I HN 0.401 nan 8.210 nan 0.000 0.401 671 E N 0.151 120.337 120.200 -0.024 0.000 2.097 671 E HA -0.232 4.116 4.350 -0.002 0.000 0.196 671 E C 2.089 178.680 176.600 -0.014 0.000 1.000 671 E CA 2.151 58.542 56.400 -0.014 0.000 0.804 671 E CB -0.179 29.505 29.700 -0.027 0.000 0.740 671 E HN 0.512 nan 8.360 nan 0.000 0.454 672 T N 0.527 115.048 114.554 -0.054 0.000 2.821 672 T HA -0.106 4.243 4.350 -0.002 0.000 0.267 672 T C 1.964 176.649 174.700 -0.026 0.000 1.046 672 T CA 1.012 63.069 62.100 -0.072 0.000 1.139 672 T CB -0.204 68.572 68.868 -0.153 0.000 0.871 672 T HN 0.265 nan 8.240 nan 0.000 0.454 673 A N 1.437 124.256 122.820 -0.001 0.000 1.940 673 A HA -0.186 4.133 4.320 -0.002 0.000 0.219 673 A C 2.288 180.071 177.584 0.331 0.000 1.176 673 A CA 1.945 54.069 52.037 0.145 0.000 0.631 673 A CB -0.692 18.404 19.000 0.159 0.000 0.814 673 A HN 0.429 nan 8.150 nan 0.000 0.446 674 Q N 0.133 120.041 119.800 0.180 0.000 2.119 674 Q HA -0.142 4.197 4.340 -0.002 0.000 0.201 674 Q C 1.760 177.834 176.000 0.123 0.000 0.972 674 Q CA 2.180 58.065 55.803 0.137 0.000 0.847 674 Q CB -0.377 28.408 28.738 0.078 0.000 0.903 674 Q HN 0.752 nan 8.270 nan 0.000 0.433 675 E N -0.452 119.807 120.200 0.099 0.000 2.077 675 E HA -0.144 4.205 4.350 -0.002 0.000 0.193 675 E C 1.853 178.543 176.600 0.150 0.000 0.989 675 E CA 0.981 57.436 56.400 0.093 0.000 0.800 675 E CB -0.208 29.516 29.700 0.039 0.000 0.746 675 E HN 0.493 nan 8.360 nan 0.000 0.452 676 A N 0.895 123.812 122.820 0.162 0.000 1.930 676 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 676 A C 2.093 179.903 177.584 0.376 0.000 1.175 676 A CA 1.339 53.505 52.037 0.215 0.000 0.627 676 A CB -0.364 18.707 19.000 0.118 0.000 0.815 676 A HN 0.179 nan 8.150 nan 0.000 0.443 677 M N -0.082 119.720 119.600 0.336 0.000 2.067 677 M HA -0.113 4.366 4.480 -0.002 0.000 0.260 677 M C 1.957 178.301 176.300 0.074 0.000 1.069 677 M CA 1.567 56.901 55.300 0.058 0.000 1.117 677 M CB -0.508 31.963 32.600 -0.215 0.000 1.334 677 M HN 0.278 nan 8.290 nan 0.000 0.407 678 R N -1.264 119.294 120.500 0.098 0.000 2.127 678 R HA -0.207 4.132 4.340 -0.002 0.000 0.238 678 R C 2.098 178.463 176.300 0.109 0.000 1.134 678 R CA 1.702 57.850 56.100 0.081 0.000 0.975 678 R CB -1.593 28.756 30.300 0.081 0.000 0.865 678 R HN 0.682 nan 8.270 nan 0.000 0.447 679 W N 1.033 122.331 121.300 -0.004 0.000 2.378 679 W HA -0.175 4.484 4.660 -0.002 0.000 0.313 679 W C 2.036 178.531 176.519 -0.040 0.000 1.197 679 W CA 1.227 58.561 57.345 -0.018 0.000 1.304 679 W CB -0.353 29.087 29.460 -0.033 0.000 1.148 679 W HN -0.219 nan 8.180 nan 0.000 0.494 680 V N 1.375 121.435 119.914 0.244 0.000 2.282 680 V HA -0.297 3.822 4.120 -0.002 0.000 0.249 680 V C 2.481 178.485 176.094 -0.150 0.000 1.057 680 V CA 2.255 64.549 62.300 -0.010 0.000 1.032 680 V CB -1.765 30.109 31.823 0.084 0.000 0.645 680 V HN 0.458 nan 8.190 nan 0.000 0.447 681 G N -0.460 108.293 108.800 -0.079 0.000 2.469 681 G HA2 -0.366 3.593 3.960 -0.002 0.000 0.220 681 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.220 681 G C 1.436 176.325 174.900 -0.018 0.000 1.136 681 G CA 1.184 46.259 45.100 -0.041 0.000 0.759 681 G HN 0.572 nan 8.290 nan 0.000 0.562 682 D N -0.012 120.314 120.400 -0.123 0.000 2.123 682 D HA -0.117 4.522 4.640 -0.002 0.000 0.200 682 D C 1.992 178.135 176.300 -0.260 0.000 0.976 682 D CA 1.011 54.912 54.000 -0.165 0.000 0.831 682 D CB -0.463 40.207 40.800 -0.217 0.000 0.974 682 D HN 0.396 nan 8.370 nan 0.000 0.469 683 H N -0.630 118.073 119.070 -0.612 0.000 2.289 683 H HA -0.174 4.381 4.556 -0.002 0.000 0.294 683 H C 1.106 176.240 175.328 -0.322 0.000 1.095 683 H CA 2.280 57.885 56.048 -0.737 0.000 1.256 683 H CB -0.322 28.704 29.762 -1.226 0.000 1.359 683 H HN 0.210 nan 8.280 nan 0.000 0.487 684 W N 1.106 122.290 121.300 -0.195 0.000 3.400 684 W HA 0.253 4.912 4.660 -0.002 0.000 0.347 684 W C -0.011 176.495 176.519 -0.021 0.000 1.218 684 W CA 0.041 57.310 57.345 -0.126 0.000 1.837 684 W CB -0.630 28.832 29.460 0.003 0.000 1.067 684 W HN 0.323 nan 8.180 nan 0.000 0.701 685 N N 0.271 119.054 118.700 0.139 0.000 2.725 685 N HA -0.257 4.482 4.740 -0.002 0.000 0.251 685 N C -0.476 175.163 175.510 0.215 0.000 1.031 685 N CA 0.845 53.968 53.050 0.123 0.000 0.720 685 N CB -1.950 36.586 38.487 0.081 0.000 0.930 685 N HN -0.027 nan 8.380 nan 0.000 0.543 686 F N 1.147 121.097 119.950 0.001 0.000 2.529 686 F HA 0.056 4.582 4.527 -0.001 0.000 0.365 686 F C 2.075 177.956 175.800 0.136 0.000 1.102 686 F CA -0.180 57.790 58.000 -0.050 0.000 1.271 686 F CB 0.596 39.519 39.000 -0.129 0.000 1.120 686 F HN -0.031 nan 8.300 nan 0.000 0.579 687 R N 2.705 123.300 120.500 0.157 0.000 2.363 687 R HA 0.101 4.440 4.340 -0.002 0.000 0.236 687 R C -0.662 175.662 176.300 0.040 0.000 0.966 687 R CA 0.179 56.302 56.100 0.038 0.000 1.100 687 R CB -0.492 29.717 30.300 -0.152 0.000 1.125 687 R HN 0.407 nan 8.270 nan 0.000 0.514 688 C N 0.906 120.279 119.300 0.121 0.000 2.642 688 C HA 0.323 4.782 4.460 -0.002 0.000 0.344 688 C C -0.380 174.748 174.990 0.231 0.000 1.110 688 C CA -1.322 57.800 59.018 0.173 0.000 1.298 688 C CB 0.463 28.325 27.740 0.202 0.000 1.827 688 C HN 0.352 nan 8.230 nan 0.000 0.467 689 L N 5.658 126.967 121.223 0.144 0.000 2.514 689 L HA 0.386 4.725 4.340 -0.002 0.000 0.280 689 L C -0.369 176.564 176.870 0.104 0.000 1.223 689 L CA 0.893 55.800 54.840 0.111 0.000 0.864 689 L CB 0.392 42.491 42.059 0.068 0.000 1.118 689 L HN 0.610 nan 8.230 nan 0.000 0.494 690 L N 4.479 125.740 121.223 0.063 0.000 2.325 690 L HA 0.563 4.902 4.340 -0.002 0.000 0.278 690 L C -0.543 176.310 176.870 -0.028 0.000 1.023 690 L CA -0.699 54.144 54.840 0.004 0.000 0.811 690 L CB 1.591 43.609 42.059 -0.068 0.000 1.249 690 L HN 0.589 nan 8.230 nan 0.000 0.431 691 D N 0.171 120.541 120.400 -0.051 0.000 2.552 691 D HA 0.568 5.207 4.640 -0.002 0.000 0.239 691 D C -0.819 175.428 176.300 -0.088 0.000 1.139 691 D CA -0.165 53.806 54.000 -0.048 0.000 0.914 691 D CB 2.847 43.642 40.800 -0.009 0.000 1.461 691 D HN 0.581 nan 8.370 nan 0.000 0.462 692 T N -2.419 112.108 114.554 -0.045 0.000 2.906 692 T HA 0.584 4.933 4.350 -0.002 0.000 0.295 692 T C -0.750 173.973 174.700 0.039 0.000 1.075 692 T CA -0.819 61.269 62.100 -0.021 0.000 1.005 692 T CB 2.880 71.768 68.868 0.033 0.000 1.136 692 T HN 0.196 nan 8.240 nan 0.000 0.498 693 E N 0.356 120.596 120.200 0.066 0.000 2.241 693 E HA 0.531 4.880 4.350 -0.002 0.000 0.263 693 E C -0.784 175.871 176.600 0.092 0.000 0.882 693 E CA -0.646 55.794 56.400 0.067 0.000 0.769 693 E CB 1.678 31.409 29.700 0.052 0.000 1.185 693 E HN 1.046 nan 8.360 nan 0.000 0.415 694 G N 3.029 111.876 108.800 0.079 0.000 2.448 694 G HA2 0.614 4.573 3.960 -0.002 0.000 0.324 694 G HA3 0.614 4.573 3.960 -0.002 0.000 0.324 694 G C -0.897 174.043 174.900 0.066 0.000 1.203 694 G CA -0.536 44.612 45.100 0.081 0.000 0.954 694 G HN 0.333 nan 8.290 nan 0.000 0.480 695 K N 1.014 121.459 120.400 0.075 0.000 2.422 695 K HA 0.497 4.815 4.320 -0.002 0.000 0.251 695 K C -0.877 175.763 176.600 0.066 0.000 0.933 695 K CA -0.709 55.621 56.287 0.072 0.000 0.798 695 K CB 3.016 35.573 32.500 0.095 0.000 1.238 695 K HN 0.479 nan 8.250 nan 0.000 0.428 696 M N 1.908 121.541 119.600 0.055 0.000 2.227 696 M HA 0.562 5.041 4.480 -0.002 0.000 0.335 696 M C -0.749 175.586 176.300 0.060 0.000 1.053 696 M CA -0.029 55.299 55.300 0.047 0.000 0.973 696 M CB 1.458 34.074 32.600 0.027 0.000 1.623 696 M HN 0.888 nan 8.290 nan 0.000 0.434 697 G N 3.838 112.681 108.800 0.071 0.000 2.561 697 G HA2 0.467 4.426 3.960 -0.002 0.000 0.310 697 G HA3 0.467 4.426 3.960 -0.002 0.000 0.310 697 G C -3.172 171.779 174.900 0.085 0.000 1.292 697 G CA -0.543 44.604 45.100 0.078 0.000 0.811 697 G HN 0.412 nan 8.290 nan 0.000 0.482 698 P HA 0.130 nan 4.420 nan 0.000 0.234 698 P C 0.016 177.362 177.300 0.076 0.000 1.175 698 P CA 0.730 63.866 63.100 0.059 0.000 0.801 698 P CB 0.375 32.088 31.700 0.021 0.000 0.891 699 N N -3.280 115.504 118.700 0.140 0.000 3.243 699 N HA 0.047 4.786 4.740 -0.002 0.000 0.280 699 N C -0.041 175.673 175.510 0.340 0.000 1.545 699 N CA -0.843 52.344 53.050 0.228 0.000 0.854 699 N CB -0.510 38.099 38.487 0.203 0.000 1.612 699 N HN -0.322 nan 8.380 nan 0.000 0.577 700 W N 0.253 121.681 121.300 0.213 0.000 2.465 700 W HA 0.266 4.924 4.660 -0.002 0.000 0.268 700 W C 1.828 178.436 176.519 0.148 0.000 1.242 700 W CA 1.459 58.917 57.345 0.187 0.000 1.248 700 W CB -1.119 28.417 29.460 0.127 0.000 1.118 700 W HN 0.779 nan 8.180 nan 0.000 0.587 701 A N -0.136 122.888 122.820 0.339 0.000 1.898 701 A HA -0.161 4.158 4.320 -0.002 0.000 0.216 701 A C 1.859 179.562 177.584 0.198 0.000 1.181 701 A CA 1.788 53.947 52.037 0.204 0.000 0.620 701 A CB -0.724 18.371 19.000 0.159 0.000 0.819 701 A HN 0.111 nan 8.150 nan 0.000 0.442 702 I N -1.159 119.533 120.570 0.202 0.000 3.226 702 I HA -0.042 4.127 4.170 -0.002 0.000 0.277 702 I C 1.188 177.420 176.117 0.190 0.000 1.243 702 I CA 0.556 61.954 61.300 0.163 0.000 1.459 702 I CB 0.039 38.116 38.000 0.127 0.000 1.093 702 I HN 0.307 nan 8.210 nan 0.000 0.453 703 C N 0.014 119.477 119.300 0.271 0.000 2.525 703 C HA 0.267 4.726 4.460 -0.002 0.000 0.313 703 C C 0.848 176.073 174.990 0.392 0.000 1.311 703 C CA -0.211 58.977 59.018 0.284 0.000 1.725 703 C CB -2.149 25.744 27.740 0.255 0.000 1.926 703 C HN 0.391 nan 8.230 nan 0.000 0.595 704 H N 0.000 119.220 119.070 0.249 0.000 2.539 704 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 704 H CA 0.000 56.182 56.048 0.224 0.000 1.023 704 H CB 0.000 29.901 29.762 0.232 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496