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 3hyv_1_C DATA FIRST_RESID 2 DATA SEQUENCE AKHVVVIGGG VGGIATAYNL RNLMPDLKIT LISDRPYFGF TPAFPHLAMG DATA SEQUENCE WRKFEDISVP LAPLLPKFNI EFINEKAESI DPDANTVTTQ SGKKIEYDYL DATA SEQUENCE VIATGPKLVF GAEGQEENST SICTAEHALE TQKKLQELYA NPGPVVIGAI DATA SEQUENCE PGVSXFGPAY EFALMLHYEL KKRGIRYKVP MTFITSEPYL GHFGVGGIGA DATA SEQUENCE SKRLVEDLFA ERNIDWIANV AVKAIEPDKV IYEDLNGNTH EVPAKFTMFM DATA SEQUENCE PSFQGPEVVA SAGDKVANPA NKMVIVNRcF QNPTYKNIFG VGVVTAIPPI DATA SEQUENCE EKTPIPTGVP KTGMMIEQMA MAVAHNIVND IRNNPDKYAP RLSAICIADF DATA SEQUENCE GEDAGFFFAD PVIPPRERVI TKMGKWAHYF KTAFEKYFLW KVRNGNIAPS DATA SEQUENCE FEEKVLEIFL KVHPIELcKD cEGAPGSRc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.642 177.584 0.096 0.000 1.274 2 A CA 0.000 52.075 52.037 0.063 0.000 0.836 2 A CB 0.000 19.032 19.000 0.053 0.000 0.831 3 K N 1.158 121.636 120.400 0.130 0.000 2.180 3 K HA 0.294 4.614 4.320 -0.000 0.000 0.251 3 K C -0.436 176.321 176.600 0.261 0.000 1.014 3 K CA -0.118 56.288 56.287 0.200 0.000 0.913 3 K CB 0.472 33.121 32.500 0.248 0.000 1.008 3 K HN 0.829 nan 8.250 nan 0.000 0.490 4 H N 0.446 119.620 119.070 0.174 0.000 2.727 4 H HA 0.308 4.864 4.556 0.000 0.000 0.330 4 H C -1.355 174.113 175.328 0.233 0.000 0.986 4 H CA -0.718 55.428 56.048 0.163 0.000 1.251 4 H CB 1.110 30.948 29.762 0.127 0.000 1.493 4 H HN 0.087 nan 8.280 nan 0.000 0.515 5 V N 6.527 126.452 119.914 0.019 0.000 2.398 5 V HA 0.171 4.291 4.120 -0.000 0.000 0.286 5 V C 0.170 176.133 176.094 -0.219 0.000 1.026 5 V CA -0.745 61.532 62.300 -0.038 0.000 0.868 5 V CB 1.418 33.256 31.823 0.026 0.000 0.982 5 V HN 0.562 nan 8.190 nan 0.000 0.443 6 V N 4.028 123.808 119.914 -0.225 0.000 2.435 6 V HA 0.775 4.895 4.120 -0.000 0.000 0.290 6 V C -0.436 175.603 176.094 -0.092 0.000 1.030 6 V CA -0.495 61.711 62.300 -0.157 0.000 0.881 6 V CB 1.648 33.391 31.823 -0.132 0.000 0.983 6 V HN 0.485 nan 8.190 nan 0.000 0.445 7 V N 6.511 126.408 119.914 -0.029 0.000 2.384 7 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 7 V C 0.060 176.157 176.094 0.005 0.000 1.020 7 V CA -0.378 61.916 62.300 -0.010 0.000 0.850 7 V CB 1.476 33.309 31.823 0.016 0.000 0.987 7 V HN 0.842 nan 8.190 nan 0.000 0.436 8 I N 4.759 125.324 120.570 -0.008 0.000 2.291 8 I HA 0.700 4.870 4.170 -0.000 0.000 0.290 8 I C 0.723 176.852 176.117 0.020 0.000 1.050 8 I CA -0.008 61.294 61.300 0.003 0.000 1.245 8 I CB 1.006 38.997 38.000 -0.015 0.000 1.405 8 I HN 0.864 nan 8.210 nan 0.000 0.478 9 G N 3.567 112.393 108.800 0.044 0.000 3.400 9 G HA2 0.044 4.004 3.960 -0.000 0.000 0.679 9 G HA3 0.044 4.004 3.960 -0.000 0.000 0.679 9 G C -0.134 174.817 174.900 0.084 0.000 1.239 9 G CA -0.628 44.505 45.100 0.054 0.000 1.049 9 G HN 0.911 nan 8.290 nan 0.000 0.539 10 G N 0.694 109.566 108.800 0.120 0.000 3.939 10 G HA2 0.672 4.632 3.960 -0.000 0.000 0.268 10 G HA3 0.672 4.632 3.960 -0.000 0.000 0.268 10 G C 0.770 175.803 174.900 0.222 0.000 1.172 10 G CA 0.838 46.030 45.100 0.153 0.000 1.614 10 G HN 1.251 nan 8.290 nan 0.000 0.639 11 G N -0.541 108.384 108.800 0.209 0.000 3.122 11 G HA2 0.365 4.325 3.960 -0.000 0.000 0.180 11 G HA3 0.365 4.325 3.960 -0.000 0.000 0.180 11 G C 1.044 176.188 174.900 0.406 0.000 1.279 11 G CA 0.085 45.387 45.100 0.337 0.000 0.987 11 G HN 0.045 nan 8.290 nan 0.000 0.589 12 V N 1.066 121.213 119.914 0.388 0.000 2.255 12 V HA -0.072 4.048 4.120 -0.000 0.000 0.247 12 V C 3.075 179.236 176.094 0.111 0.000 1.051 12 V CA 2.696 65.175 62.300 0.299 0.000 1.018 12 V CB -1.066 30.864 31.823 0.178 0.000 0.641 12 V HN 0.763 nan 8.190 nan 0.000 0.445 13 G N -0.543 108.293 108.800 0.060 0.000 2.408 13 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.217 13 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.217 13 G C 1.565 176.456 174.900 -0.016 0.000 1.150 13 G CA 0.897 46.004 45.100 0.011 0.000 0.776 13 G HN 0.596 nan 8.290 nan 0.000 0.542 14 G N 1.050 109.847 108.800 -0.004 0.000 2.394 14 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.214 14 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.214 14 G C 1.662 176.507 174.900 -0.092 0.000 1.176 14 G CA 0.678 45.766 45.100 -0.021 0.000 0.786 14 G HN 0.265 nan 8.290 nan 0.000 0.533 15 I N 2.014 122.477 120.570 -0.178 0.000 2.226 15 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 15 I C 3.245 179.021 176.117 -0.569 0.000 1.100 15 I CA 1.363 62.371 61.300 -0.487 0.000 1.374 15 I CB -1.242 36.329 38.000 -0.716 0.000 1.057 15 I HN 0.259 nan 8.210 nan 0.000 0.413 16 A N 0.614 123.233 122.820 -0.334 0.000 1.877 16 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 16 A C 2.426 179.930 177.584 -0.132 0.000 1.186 16 A CA 2.385 54.288 52.037 -0.222 0.000 0.620 16 A CB -1.056 17.891 19.000 -0.089 0.000 0.822 16 A HN 0.436 nan 8.150 nan 0.000 0.443 17 T N 0.501 114.993 114.554 -0.104 0.000 2.708 17 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 17 T C 2.247 176.909 174.700 -0.063 0.000 1.037 17 T CA 1.597 63.646 62.100 -0.085 0.000 1.146 17 T CB -0.576 68.248 68.868 -0.074 0.000 0.865 17 T HN 0.591 nan 8.240 nan 0.000 0.435 18 A N 1.045 123.844 122.820 -0.035 0.000 1.865 18 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 18 A C 2.147 179.808 177.584 0.129 0.000 1.191 18 A CA 1.569 53.634 52.037 0.047 0.000 0.623 18 A CB -1.157 17.899 19.000 0.093 0.000 0.826 18 A HN 0.482 nan 8.150 nan 0.000 0.444 19 Y N 0.659 120.870 120.300 -0.147 0.000 2.181 19 Y HA -0.172 4.378 4.550 0.000 0.000 0.288 19 Y C 2.534 178.316 175.900 -0.198 0.000 1.146 19 Y CA 0.959 58.934 58.100 -0.209 0.000 1.164 19 Y CB -0.905 37.380 38.460 -0.293 0.000 0.982 19 Y HN 0.329 nan 8.280 nan 0.000 0.515 20 N N 0.212 118.903 118.700 -0.015 0.000 2.069 20 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 20 N C 2.059 177.484 175.510 -0.140 0.000 1.031 20 N CA 1.182 54.170 53.050 -0.103 0.000 0.852 20 N CB -0.722 37.691 38.487 -0.124 0.000 1.018 20 N HN 0.312 nan 8.380 nan 0.000 0.423 21 L N 0.610 121.761 121.223 -0.119 0.000 2.012 21 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 21 L C 2.555 179.367 176.870 -0.097 0.000 1.073 21 L CA 1.184 55.949 54.840 -0.125 0.000 0.748 21 L CB -0.324 41.675 42.059 -0.100 0.000 0.891 21 L HN 0.108 nan 8.230 nan 0.000 0.431 22 R N 0.755 121.212 120.500 -0.071 0.000 2.096 22 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 22 R C 1.734 177.972 176.300 -0.103 0.000 1.127 22 R CA 1.968 58.024 56.100 -0.074 0.000 0.968 22 R CB -0.634 29.617 30.300 -0.081 0.000 0.861 22 R HN 0.444 nan 8.270 nan 0.000 0.440 23 N N -0.815 117.807 118.700 -0.130 0.000 2.354 23 N HA -0.049 4.691 4.740 -0.000 0.000 0.179 23 N C 0.932 176.376 175.510 -0.110 0.000 1.021 23 N CA 0.599 53.572 53.050 -0.129 0.000 0.887 23 N CB 0.022 38.420 38.487 -0.147 0.000 0.974 23 N HN 0.055 nan 8.380 nan 0.000 0.437 24 L N -0.006 121.138 121.223 -0.130 0.000 2.240 24 L HA 0.178 4.518 4.340 -0.000 0.000 0.211 24 L C 0.443 177.258 176.870 -0.092 0.000 1.106 24 L CA 1.298 56.057 54.840 -0.134 0.000 0.793 24 L CB -0.047 41.883 42.059 -0.216 0.000 0.927 24 L HN 0.191 nan 8.230 nan 0.000 0.446 25 M N -1.219 118.333 119.600 -0.080 0.000 2.060 25 M HA 0.248 4.728 4.480 -0.000 0.000 0.231 25 M C -1.911 174.367 176.300 -0.035 0.000 0.936 25 M CA -1.360 53.910 55.300 -0.051 0.000 0.981 25 M CB 1.577 34.145 32.600 -0.053 0.000 2.216 25 M HN -0.202 nan 8.290 nan 0.000 0.399 26 P HA -0.205 nan 4.420 nan 0.000 0.218 26 P C 0.103 177.399 177.300 -0.006 0.000 1.152 26 P CA 1.733 64.820 63.100 -0.021 0.000 0.857 26 P CB 0.043 31.732 31.700 -0.018 0.000 0.787 27 D N -2.884 117.517 120.400 0.001 0.000 2.398 27 D HA 0.064 4.704 4.640 -0.000 0.000 0.210 27 D C 0.462 176.779 176.300 0.027 0.000 1.094 27 D CA -0.355 53.653 54.000 0.013 0.000 0.839 27 D CB -0.872 39.936 40.800 0.013 0.000 0.963 27 D HN 0.032 nan 8.370 nan 0.000 0.506 28 L N 1.153 122.392 121.223 0.027 0.000 2.490 28 L HA 0.165 4.505 4.340 -0.000 0.000 0.274 28 L C 0.077 176.992 176.870 0.074 0.000 1.201 28 L CA 0.176 55.045 54.840 0.050 0.000 0.869 28 L CB 0.366 42.440 42.059 0.025 0.000 1.123 28 L HN -0.154 nan 8.230 nan 0.000 0.484 29 K N 5.836 126.310 120.400 0.123 0.000 2.297 29 K HA 0.480 4.800 4.320 -0.000 0.000 0.286 29 K C -0.983 175.769 176.600 0.252 0.000 1.053 29 K CA 0.035 56.425 56.287 0.171 0.000 0.940 29 K CB 0.610 33.202 32.500 0.153 0.000 1.019 29 K HN 0.523 nan 8.250 nan 0.000 0.475 30 I N 1.947 122.635 120.570 0.198 0.000 2.447 30 I HA 0.153 4.323 4.170 -0.000 0.000 0.287 30 I C -0.309 175.921 176.117 0.190 0.000 1.023 30 I CA -0.558 60.843 61.300 0.168 0.000 1.083 30 I CB 2.261 40.325 38.000 0.106 0.000 1.245 30 I HN 0.442 nan 8.210 nan 0.000 0.434 31 T N 7.212 121.882 114.554 0.193 0.000 2.812 31 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 31 T C -1.208 173.569 174.700 0.129 0.000 0.990 31 T CA -0.427 61.786 62.100 0.188 0.000 0.960 31 T CB 1.007 70.035 68.868 0.267 0.000 0.948 31 T HN 0.457 nan 8.240 nan 0.000 0.438 32 L N 6.456 127.776 121.223 0.162 0.000 2.322 32 L HA 0.742 5.082 4.340 -0.000 0.000 0.281 32 L C -1.164 175.793 176.870 0.144 0.000 1.014 32 L CA -0.798 54.145 54.840 0.170 0.000 0.815 32 L CB 0.994 43.194 42.059 0.235 0.000 1.247 32 L HN 0.669 nan 8.230 nan 0.000 0.421 33 I N 4.056 124.670 120.570 0.074 0.000 2.406 33 I HA 0.512 4.682 4.170 -0.000 0.000 0.290 33 I C -0.318 175.817 176.117 0.030 0.000 0.999 33 I CA -0.255 61.035 61.300 -0.016 0.000 1.124 33 I CB 1.891 39.877 38.000 -0.024 0.000 1.289 33 I HN 0.514 nan 8.210 nan 0.000 0.441 34 S N 2.944 118.640 115.700 -0.006 0.000 2.543 34 S HA 0.211 4.681 4.470 -0.000 0.000 0.271 34 S C 0.150 174.758 174.600 0.013 0.000 1.148 34 S CA -0.740 57.505 58.200 0.075 0.000 0.914 34 S CB 1.233 64.588 63.200 0.258 0.000 1.096 34 S HN 0.760 nan 8.310 nan 0.000 0.471 35 D N 2.901 123.304 120.400 0.005 0.000 2.224 35 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 35 D C 0.332 176.635 176.300 0.004 0.000 0.965 35 D CA 0.770 54.765 54.000 -0.008 0.000 0.852 35 D CB -0.043 40.751 40.800 -0.010 0.000 0.947 35 D HN 0.389 nan 8.370 nan 0.000 0.494 36 R N 1.127 121.613 120.500 -0.022 0.000 2.312 36 R HA 0.272 4.612 4.340 -0.000 0.000 0.311 36 R C -1.717 174.614 176.300 0.052 0.000 1.004 36 R CA -1.582 54.444 56.100 -0.123 0.000 0.902 36 R CB 1.129 31.117 30.300 -0.521 0.000 1.073 36 R HN 0.023 nan 8.270 nan 0.000 0.457 37 P HA -0.107 nan 4.420 nan 0.000 0.239 37 P C -0.939 176.503 177.300 0.237 0.000 1.184 37 P CA 0.986 64.286 63.100 0.334 0.000 0.760 37 P CB 0.009 31.903 31.700 0.325 0.000 0.884 38 Y N -2.564 117.842 120.300 0.177 0.000 2.576 38 Y HA 0.663 5.213 4.550 -0.000 0.000 0.346 38 Y C -0.920 175.081 175.900 0.169 0.000 1.018 38 Y CA -2.613 55.569 58.100 0.136 0.000 1.050 38 Y CB 0.510 39.075 38.460 0.175 0.000 1.280 38 Y HN -0.274 nan 8.280 nan 0.000 0.474 39 F N 2.175 122.236 119.950 0.185 0.000 2.404 39 F HA 0.791 5.318 4.527 0.000 0.000 0.345 39 F C 0.114 176.137 175.800 0.371 0.000 1.110 39 F CA -0.637 57.469 58.000 0.176 0.000 1.130 39 F CB 1.028 40.077 39.000 0.082 0.000 1.129 39 F HN 0.847 nan 8.300 nan 0.000 0.500 40 G N 5.569 114.088 108.800 -0.468 0.000 2.416 40 G HA2 0.347 4.307 3.960 -0.000 0.000 0.324 40 G HA3 0.347 4.307 3.960 -0.000 0.000 0.324 40 G C -1.734 172.708 174.900 -0.762 0.000 1.194 40 G CA -0.625 44.361 45.100 -0.189 0.000 0.922 40 G HN 0.665 nan 8.290 nan 0.000 0.467 41 F N 3.715 123.376 119.950 -0.480 0.000 2.541 41 F HA 0.240 4.767 4.527 0.000 0.000 0.347 41 F C 1.808 177.256 175.800 -0.588 0.000 1.242 41 F CA -0.427 57.362 58.000 -0.351 0.000 1.123 41 F CB 0.239 39.247 39.000 0.014 0.000 1.354 41 F HN 0.456 nan 8.300 nan 0.000 0.621 42 T N 5.193 119.034 114.554 -1.188 0.000 2.699 42 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 42 T C -0.688 173.417 174.700 -0.991 0.000 1.036 42 T CA 1.519 62.697 62.100 -1.537 0.000 1.147 42 T CB -0.986 67.340 68.868 -0.904 0.000 0.862 42 T HN 0.395 nan 8.240 nan 0.000 0.446 43 P HA 0.084 nan 4.420 nan 0.000 0.223 43 P C 0.889 178.124 177.300 -0.108 0.000 1.144 43 P CA 0.830 63.624 63.100 -0.509 0.000 0.783 43 P CB -0.171 31.140 31.700 -0.650 0.000 0.771 44 A N -2.494 120.275 122.820 -0.085 0.000 2.308 44 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 44 A C 1.316 179.205 177.584 0.508 0.000 1.216 44 A CA -0.093 52.115 52.037 0.285 0.000 0.864 44 A CB -1.028 18.166 19.000 0.322 0.000 0.902 44 A HN -0.032 nan 8.150 nan 0.000 0.499 45 F N 0.944 121.013 119.950 0.198 0.000 2.134 45 F HA 0.001 4.528 4.527 0.000 0.000 0.299 45 F C -0.442 175.472 175.800 0.190 0.000 1.097 45 F CA 0.840 58.944 58.000 0.173 0.000 1.264 45 F CB -1.995 37.068 39.000 0.105 0.000 1.001 45 F HN 0.189 nan 8.300 nan 0.000 0.479 46 P HA -0.139 nan 4.420 nan 0.000 0.216 46 P C 1.158 178.525 177.300 0.112 0.000 1.150 46 P CA 1.796 65.040 63.100 0.240 0.000 0.837 46 P CB -0.204 31.585 31.700 0.148 0.000 0.786 47 H N -1.380 117.804 119.070 0.190 0.000 2.387 47 H HA -0.087 4.469 4.556 0.000 0.000 0.299 47 H C 1.839 177.254 175.328 0.144 0.000 1.090 47 H CA 0.993 57.144 56.048 0.172 0.000 1.332 47 H CB -1.153 28.815 29.762 0.344 0.000 1.386 47 H HN 0.029 nan 8.280 nan 0.000 0.516 48 L N 0.623 122.050 121.223 0.339 0.000 2.027 48 L HA -0.050 4.290 4.340 -0.000 0.000 0.206 48 L C 2.382 179.344 176.870 0.153 0.000 1.074 48 L CA 1.709 56.701 54.840 0.253 0.000 0.745 48 L CB -0.916 41.305 42.059 0.270 0.000 0.898 48 L HN 0.256 nan 8.230 nan 0.000 0.433 49 A N -0.857 122.051 122.820 0.146 0.000 1.940 49 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 49 A C 2.120 179.756 177.584 0.087 0.000 1.176 49 A CA 2.018 54.138 52.037 0.138 0.000 0.631 49 A CB -0.568 18.553 19.000 0.202 0.000 0.814 49 A HN 0.492 nan 8.150 nan 0.000 0.446 50 M N -1.437 118.111 119.600 -0.087 0.000 2.619 50 M HA 0.085 4.565 4.480 -0.000 0.000 0.251 50 M C 1.545 177.695 176.300 -0.251 0.000 1.106 50 M CA 0.849 55.904 55.300 -0.408 0.000 1.086 50 M CB -1.241 30.591 32.600 -1.280 0.000 1.465 50 M HN 0.814 nan 8.290 nan 0.000 0.506 51 G N -0.880 107.917 108.800 -0.005 0.000 2.143 51 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 51 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 51 G C 0.206 175.325 174.900 0.364 0.000 0.991 51 G CA 0.208 45.409 45.100 0.168 0.000 0.689 51 G HN 0.537 nan 8.290 nan 0.000 0.522 52 W N 0.089 121.506 121.300 0.195 0.000 3.290 52 W HA 0.468 5.128 4.660 -0.000 0.000 0.287 52 W C 1.014 177.647 176.519 0.189 0.000 1.288 52 W CA -0.410 57.052 57.345 0.196 0.000 1.725 52 W CB -0.036 29.567 29.460 0.238 0.000 1.103 52 W HN 0.117 nan 8.180 nan 0.000 0.670 53 R N 0.229 120.953 120.500 0.375 0.000 2.771 53 R HA 0.383 4.723 4.340 -0.000 0.000 0.274 53 R C -0.331 176.100 176.300 0.217 0.000 0.987 53 R CA -1.028 55.235 56.100 0.271 0.000 0.908 53 R CB 1.734 32.198 30.300 0.273 0.000 1.213 53 R HN -0.110 nan 8.270 nan 0.000 0.468 54 K N 1.186 121.689 120.400 0.172 0.000 2.172 54 K HA 0.213 4.533 4.320 -0.000 0.000 0.276 54 K C 0.946 177.645 176.600 0.164 0.000 1.013 54 K CA -0.331 56.052 56.287 0.159 0.000 0.913 54 K CB 1.059 33.632 32.500 0.121 0.000 1.055 54 K HN 0.437 nan 8.250 nan 0.000 0.461 55 F N 2.829 122.800 119.950 0.035 0.000 2.115 55 F HA -0.282 4.245 4.527 0.000 0.000 0.300 55 F C 1.336 177.130 175.800 -0.011 0.000 1.092 55 F CA 1.857 59.852 58.000 -0.009 0.000 1.245 55 F CB 0.267 39.218 39.000 -0.083 0.000 0.995 55 F HN 0.646 nan 8.300 nan 0.000 0.481 56 E N -0.007 120.143 120.200 -0.084 0.000 2.338 56 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 56 E C 1.441 177.959 176.600 -0.136 0.000 1.007 56 E CA 1.266 57.569 56.400 -0.161 0.000 0.849 56 E CB -0.341 29.360 29.700 0.001 0.000 0.774 56 E HN 0.491 nan 8.360 nan 0.000 0.506 57 D N -0.155 120.204 120.400 -0.069 0.000 2.354 57 D HA 0.051 4.691 4.640 -0.000 0.000 0.209 57 D C 1.193 177.479 176.300 -0.022 0.000 1.015 57 D CA 0.482 54.469 54.000 -0.022 0.000 0.867 57 D CB 0.415 41.233 40.800 0.030 0.000 0.933 57 D HN 0.389 nan 8.370 nan 0.000 0.520 58 I N -2.139 118.400 120.570 -0.052 0.000 3.817 58 I HA 0.255 4.425 4.170 -0.000 0.000 0.325 58 I C -0.223 175.893 176.117 -0.002 0.000 1.550 58 I CA -0.497 60.827 61.300 0.041 0.000 1.100 58 I CB 0.583 38.690 38.000 0.178 0.000 1.216 58 I HN -0.254 nan 8.210 nan 0.000 0.481 59 S N 0.008 115.606 115.700 -0.169 0.000 2.564 59 S HA 0.845 5.315 4.470 -0.000 0.000 0.274 59 S C -0.817 173.762 174.600 -0.035 0.000 1.124 59 S CA -0.665 57.423 58.200 -0.187 0.000 0.869 59 S CB 2.564 65.266 63.200 -0.830 0.000 1.105 59 S HN 0.014 nan 8.310 nan 0.000 0.472 60 V N 2.233 122.236 119.914 0.149 0.000 2.447 60 V HA 0.468 4.588 4.120 -0.000 0.000 0.292 60 V C -2.767 173.412 176.094 0.143 0.000 1.021 60 V CA -1.876 60.506 62.300 0.136 0.000 0.850 60 V CB 1.520 33.447 31.823 0.174 0.000 1.005 60 V HN 0.798 nan 8.190 nan 0.000 0.426 61 P HA 0.223 nan 4.420 nan 0.000 0.267 61 P C 0.715 177.993 177.300 -0.037 0.000 1.209 61 P CA 0.183 63.327 63.100 0.074 0.000 0.763 61 P CB 0.774 32.511 31.700 0.061 0.000 0.816 62 L N 2.764 123.884 121.223 -0.172 0.000 2.249 62 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 62 L C 2.347 178.950 176.870 -0.445 0.000 1.090 62 L CA 1.171 55.737 54.840 -0.457 0.000 0.802 62 L CB -0.750 40.719 42.059 -0.982 0.000 0.947 62 L HN 0.358 nan 8.230 nan 0.000 0.453 63 A N 1.171 123.843 122.820 -0.246 0.000 1.883 63 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 63 A C -0.132 177.449 177.584 -0.005 0.000 1.186 63 A CA 1.705 53.769 52.037 0.045 0.000 0.624 63 A CB -1.773 17.356 19.000 0.215 0.000 0.822 63 A HN 0.322 nan 8.150 nan 0.000 0.444 64 P HA 0.069 nan 4.420 nan 0.000 0.236 64 P C 1.184 178.404 177.300 -0.134 0.000 1.177 64 P CA 0.332 63.395 63.100 -0.062 0.000 0.773 64 P CB 0.180 31.854 31.700 -0.043 0.000 0.878 65 L N -1.225 119.899 121.223 -0.166 0.000 2.262 65 L HA 0.155 4.495 4.340 -0.000 0.000 0.197 65 L C 2.111 178.750 176.870 -0.386 0.000 1.073 65 L CA 1.136 55.819 54.840 -0.262 0.000 0.800 65 L CB -0.919 41.049 42.059 -0.152 0.000 0.987 65 L HN -0.243 nan 8.230 nan 0.000 0.470 66 L N 0.277 121.378 121.223 -0.203 0.000 2.083 66 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 66 L C -0.497 176.290 176.870 -0.139 0.000 1.083 66 L CA 1.038 55.821 54.840 -0.096 0.000 0.752 66 L CB -1.800 40.281 42.059 0.036 0.000 0.899 66 L HN 0.268 nan 8.230 nan 0.000 0.433 67 P HA -0.146 nan 4.420 nan 0.000 0.225 67 P C 1.182 178.363 177.300 -0.198 0.000 1.148 67 P CA 1.179 64.214 63.100 -0.108 0.000 0.779 67 P CB -0.003 31.656 31.700 -0.069 0.000 0.780 68 K N -1.419 118.738 120.400 -0.404 0.000 2.217 68 K HA 0.001 4.321 4.320 -0.000 0.000 0.202 68 K C 0.567 176.908 176.600 -0.432 0.000 1.051 68 K CA 1.016 57.002 56.287 -0.502 0.000 0.952 68 K CB -0.191 31.858 32.500 -0.751 0.000 0.736 68 K HN 0.191 nan 8.250 nan 0.000 0.453 69 F N 0.808 120.671 119.950 -0.144 0.000 2.647 69 F HA 0.243 4.770 4.527 -0.000 0.000 0.300 69 F C 0.002 175.729 175.800 -0.122 0.000 1.106 69 F CA -0.921 56.964 58.000 -0.192 0.000 1.313 69 F CB -0.443 38.348 39.000 -0.348 0.000 1.007 69 F HN -0.054 nan 8.300 nan 0.000 0.536 70 N N 1.205 119.916 118.700 0.019 0.000 2.754 70 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 70 N C -0.552 174.991 175.510 0.054 0.000 1.093 70 N CA 0.621 53.685 53.050 0.022 0.000 0.699 70 N CB -1.526 36.973 38.487 0.020 0.000 1.016 70 N HN 0.344 nan 8.380 nan 0.000 0.552 71 I N 0.575 121.189 120.570 0.073 0.000 2.378 71 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 71 I C 0.745 176.937 176.117 0.125 0.000 0.992 71 I CA -0.579 60.791 61.300 0.116 0.000 1.154 71 I CB 2.002 40.102 38.000 0.165 0.000 1.315 71 I HN -0.027 nan 8.210 nan 0.000 0.448 72 E N 6.304 126.588 120.200 0.139 0.000 2.259 72 E HA 0.213 4.563 4.350 -0.000 0.000 0.281 72 E C -1.536 175.197 176.600 0.222 0.000 1.037 72 E CA -0.439 56.050 56.400 0.148 0.000 0.854 72 E CB 1.036 30.802 29.700 0.110 0.000 1.051 72 E HN 0.464 nan 8.360 nan 0.000 0.409 73 F N 5.937 125.916 119.950 0.048 0.000 2.411 73 F HA 0.420 4.947 4.527 -0.000 0.000 0.352 73 F C -0.725 175.100 175.800 0.043 0.000 1.123 73 F CA -0.821 57.208 58.000 0.049 0.000 1.044 73 F CB 0.655 39.683 39.000 0.046 0.000 1.135 73 F HN 0.379 nan 8.300 nan 0.000 0.461 74 I N 5.930 126.200 120.570 -0.501 0.000 2.371 74 I HA 0.131 4.301 4.170 -0.000 0.000 0.282 74 I C -0.288 175.336 176.117 -0.822 0.000 1.031 74 I CA -0.623 60.382 61.300 -0.491 0.000 1.180 74 I CB 0.851 38.732 38.000 -0.199 0.000 1.336 74 I HN 0.528 nan 8.210 nan 0.000 0.467 75 N N 6.768 124.931 118.700 -0.895 0.000 2.819 75 N HA 0.142 4.882 4.740 -0.000 0.000 0.284 75 N C -0.684 174.673 175.510 -0.254 0.000 1.196 75 N CA 0.500 53.175 53.050 -0.625 0.000 1.114 75 N CB 0.067 38.381 38.487 -0.288 0.000 1.437 75 N HN 0.576 nan 8.380 nan 0.000 0.518 76 E N 0.092 120.165 120.200 -0.212 0.000 2.430 76 E HA 0.204 4.554 4.350 -0.000 0.000 0.279 76 E C -1.123 175.434 176.600 -0.073 0.000 1.003 76 E CA -0.914 55.422 56.400 -0.106 0.000 0.801 76 E CB 1.946 31.591 29.700 -0.091 0.000 1.313 76 E HN 0.153 nan 8.360 nan 0.000 0.459 77 K N 0.904 121.279 120.400 -0.041 0.000 2.249 77 K HA 0.479 4.799 4.320 -0.000 0.000 0.280 77 K C -0.880 175.707 176.600 -0.022 0.000 1.033 77 K CA -0.176 56.096 56.287 -0.025 0.000 0.946 77 K CB 0.980 33.471 32.500 -0.014 0.000 1.005 77 K HN 0.527 nan 8.250 nan 0.000 0.469 78 A N 3.481 126.291 122.820 -0.015 0.000 2.366 78 A HA 0.116 4.436 4.320 -0.000 0.000 0.272 78 A C 0.589 178.170 177.584 -0.004 0.000 1.135 78 A CA -0.289 51.743 52.037 -0.008 0.000 0.804 78 A CB 0.822 19.818 19.000 -0.006 0.000 1.064 78 A HN 1.039 nan 8.150 nan 0.000 0.499 79 E N 1.408 121.607 120.200 -0.001 0.000 2.175 79 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 79 E C 0.518 177.119 176.600 0.002 0.000 0.934 79 E CA 0.974 57.374 56.400 0.000 0.000 0.870 79 E CB 0.313 30.013 29.700 -0.000 0.000 0.838 79 E HN 0.797 nan 8.360 nan 0.000 0.474 80 S N -0.807 114.896 115.700 0.005 0.000 2.618 80 S HA 0.591 5.061 4.470 -0.000 0.000 0.277 80 S C -0.770 173.837 174.600 0.011 0.000 1.138 80 S CA -0.996 57.207 58.200 0.004 0.000 0.844 80 S CB 1.455 64.656 63.200 0.002 0.000 1.127 80 S HN 0.131 nan 8.310 nan 0.000 0.474 81 I N 1.522 122.095 120.570 0.005 0.000 2.447 81 I HA 0.379 4.549 4.170 -0.000 0.000 0.287 81 I C -1.326 174.784 176.117 -0.010 0.000 1.023 81 I CA -0.374 60.935 61.300 0.015 0.000 1.083 81 I CB 1.913 39.912 38.000 -0.002 0.000 1.245 81 I HN 0.657 nan 8.210 nan 0.000 0.434 82 D N 9.040 129.438 120.400 -0.003 0.000 2.473 82 D HA 0.282 4.922 4.640 -0.000 0.000 0.226 82 D C -1.689 174.558 176.300 -0.090 0.000 1.089 82 D CA -2.280 51.691 54.000 -0.047 0.000 0.883 82 D CB 1.573 42.351 40.800 -0.037 0.000 1.029 82 D HN 0.193 nan 8.370 nan 0.000 0.517 83 P HA -0.010 nan 4.420 nan 0.000 0.225 83 P C 0.538 177.659 177.300 -0.297 0.000 1.156 83 P CA 0.509 63.381 63.100 -0.381 0.000 0.787 83 P CB 0.743 31.855 31.700 -0.980 0.000 0.802 84 D N 0.371 120.692 120.400 -0.131 0.000 2.194 84 D HA -0.010 4.630 4.640 -0.000 0.000 0.204 84 D C 1.786 178.068 176.300 -0.030 0.000 0.964 84 D CA 1.073 55.095 54.000 0.036 0.000 0.846 84 D CB -0.068 40.774 40.800 0.071 0.000 0.962 84 D HN 0.176 nan 8.370 nan 0.000 0.490 85 A N 0.489 123.259 122.820 -0.083 0.000 2.238 85 A HA 0.012 4.332 4.320 -0.000 0.000 0.210 85 A C 0.421 177.873 177.584 -0.221 0.000 1.179 85 A CA -0.053 51.918 52.037 -0.110 0.000 0.827 85 A CB 0.051 19.003 19.000 -0.080 0.000 0.856 85 A HN 0.029 nan 8.150 nan 0.000 0.488 86 N N 0.305 118.802 118.700 -0.339 0.000 2.756 86 N HA -0.111 4.629 4.740 -0.000 0.000 0.248 86 N C -0.719 174.229 175.510 -0.936 0.000 1.062 86 N CA 1.547 54.067 53.050 -0.885 0.000 0.696 86 N CB -1.737 36.277 38.487 -0.789 0.000 0.946 86 N HN 0.482 nan 8.380 nan 0.000 0.548 87 T N -0.935 113.428 114.554 -0.319 0.000 2.900 87 T HA 0.661 5.011 4.350 -0.000 0.000 0.295 87 T C 0.053 174.853 174.700 0.166 0.000 1.044 87 T CA -0.566 61.510 62.100 -0.041 0.000 0.995 87 T CB 2.864 71.703 68.868 -0.049 0.000 1.072 87 T HN -0.093 nan 8.240 nan 0.000 0.473 88 V N 2.247 122.267 119.914 0.177 0.000 2.555 88 V HA 0.610 4.730 4.120 -0.000 0.000 0.302 88 V C -0.116 176.016 176.094 0.063 0.000 1.038 88 V CA -0.767 61.602 62.300 0.115 0.000 0.887 88 V CB 2.034 33.920 31.823 0.104 0.000 0.991 88 V HN 1.041 nan 8.190 nan 0.000 0.434 89 T N 2.684 117.259 114.554 0.036 0.000 2.779 89 T HA 0.512 4.862 4.350 -0.000 0.000 0.280 89 T C 0.285 174.992 174.700 0.011 0.000 0.987 89 T CA -0.457 61.655 62.100 0.020 0.000 0.966 89 T CB 1.446 70.321 68.868 0.012 0.000 0.933 89 T HN 0.936 nan 8.240 nan 0.000 0.442 90 T N 0.599 115.156 114.554 0.005 0.000 2.824 90 T HA 0.235 4.585 4.350 -0.000 0.000 0.277 90 T C 1.407 176.102 174.700 -0.007 0.000 0.975 90 T CA -0.579 61.517 62.100 -0.006 0.000 0.966 90 T CB 0.919 69.776 68.868 -0.017 0.000 1.054 90 T HN 0.551 nan 8.240 nan 0.000 0.533 91 Q N 0.186 119.979 119.800 -0.012 0.000 2.124 91 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 91 Q C 2.226 178.220 176.000 -0.009 0.000 0.977 91 Q CA 1.954 57.752 55.803 -0.009 0.000 0.850 91 Q CB -0.388 28.343 28.738 -0.011 0.000 0.901 91 Q HN 0.891 nan 8.270 nan 0.000 0.429 92 S N -2.187 113.506 115.700 -0.012 0.000 2.527 92 S HA 0.179 4.649 4.470 -0.000 0.000 0.222 92 S C 1.309 175.905 174.600 -0.007 0.000 0.985 92 S CA 0.511 58.705 58.200 -0.010 0.000 0.921 92 S CB 0.638 63.830 63.200 -0.013 0.000 0.772 92 S HN 0.630 nan 8.310 nan 0.000 0.529 93 G N 0.743 109.539 108.800 -0.005 0.000 2.192 93 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.193 93 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.193 93 G C -0.131 174.769 174.900 -0.000 0.000 0.999 93 G CA -0.361 44.737 45.100 -0.002 0.000 0.659 93 G HN 0.509 nan 8.290 nan 0.000 0.503 94 K N 1.126 121.525 120.400 -0.001 0.000 2.451 94 K HA 0.264 4.584 4.320 -0.000 0.000 0.280 94 K C 0.171 176.778 176.600 0.012 0.000 1.020 94 K CA 0.511 56.800 56.287 0.003 0.000 1.008 94 K CB 0.437 32.936 32.500 -0.001 0.000 0.917 94 K HN 0.182 nan 8.250 nan 0.000 0.478 95 K N 3.768 124.178 120.400 0.016 0.000 2.293 95 K HA 0.288 4.608 4.320 -0.000 0.000 0.267 95 K C -0.617 176.008 176.600 0.043 0.000 1.010 95 K CA -0.602 55.700 56.287 0.025 0.000 0.875 95 K CB 0.880 33.389 32.500 0.013 0.000 1.106 95 K HN 0.330 nan 8.250 nan 0.000 0.450 96 I N 2.450 123.063 120.570 0.072 0.000 2.312 96 I HA 0.142 4.312 4.170 -0.000 0.000 0.290 96 I C 0.388 176.592 176.117 0.145 0.000 1.008 96 I CA -0.412 60.961 61.300 0.122 0.000 1.226 96 I CB 1.276 39.367 38.000 0.153 0.000 1.371 96 I HN 0.504 nan 8.210 nan 0.000 0.468 97 E N 5.676 125.951 120.200 0.124 0.000 2.373 97 E HA 0.373 4.723 4.350 -0.000 0.000 0.263 97 E C -1.388 175.320 176.600 0.180 0.000 1.073 97 E CA -0.352 56.081 56.400 0.054 0.000 0.894 97 E CB 0.914 30.618 29.700 0.006 0.000 1.008 97 E HN 0.527 nan 8.360 nan 0.000 0.420 98 Y N -0.174 120.157 120.300 0.053 0.000 2.553 98 Y HA 0.402 4.952 4.550 -0.000 0.000 0.347 98 Y C -0.148 175.743 175.900 -0.016 0.000 1.019 98 Y CA -0.932 57.163 58.100 -0.009 0.000 1.032 98 Y CB 1.273 39.681 38.460 -0.086 0.000 1.284 98 Y HN 0.360 nan 8.280 nan 0.000 0.466 99 D N 0.615 121.139 120.400 0.207 0.000 2.259 99 D HA 0.027 4.667 4.640 -0.000 0.000 0.216 99 D C -0.664 175.554 176.300 -0.138 0.000 0.961 99 D CA 1.446 55.445 54.000 -0.002 0.000 0.878 99 D CB 0.308 41.130 40.800 0.037 0.000 1.009 99 D HN 0.493 nan 8.370 nan 0.000 0.490 100 Y N -0.114 120.367 120.300 0.302 0.000 2.512 100 Y HA 0.451 5.001 4.550 -0.000 0.000 0.348 100 Y C -0.581 175.270 175.900 -0.082 0.000 0.990 100 Y CA -1.220 57.008 58.100 0.212 0.000 1.033 100 Y CB 2.075 40.636 38.460 0.169 0.000 1.259 100 Y HN -0.245 nan 8.280 nan 0.000 0.461 101 L N 3.114 124.266 121.223 -0.118 0.000 2.341 101 L HA 0.802 5.142 4.340 -0.000 0.000 0.278 101 L C -1.478 175.371 176.870 -0.036 0.000 1.005 101 L CA -0.829 53.769 54.840 -0.403 0.000 0.818 101 L CB 1.713 43.207 42.059 -0.941 0.000 1.259 101 L HN 0.451 nan 8.230 nan 0.000 0.418 102 V N 6.640 126.530 119.914 -0.040 0.000 2.350 102 V HA 0.455 4.575 4.120 -0.000 0.000 0.285 102 V C 0.034 176.130 176.094 0.003 0.000 1.014 102 V CA -0.442 61.883 62.300 0.041 0.000 0.831 102 V CB 1.312 33.150 31.823 0.024 0.000 1.000 102 V HN 0.591 nan 8.190 nan 0.000 0.433 103 I N 4.147 124.734 120.570 0.028 0.000 2.315 103 I HA 0.652 4.822 4.170 -0.000 0.000 0.291 103 I C 0.590 176.727 176.117 0.033 0.000 1.006 103 I CA -0.109 61.199 61.300 0.013 0.000 1.265 103 I CB 1.472 39.478 38.000 0.009 0.000 1.387 103 I HN 0.690 nan 8.210 nan 0.000 0.475 104 A N 3.447 126.278 122.820 0.019 0.000 3.292 104 A HA 0.244 4.564 4.320 -0.000 0.000 0.231 104 A C 0.808 178.397 177.584 0.008 0.000 0.952 104 A CA -0.336 51.713 52.037 0.020 0.000 1.044 104 A CB -0.333 18.680 19.000 0.020 0.000 1.236 104 A HN 0.736 nan 8.150 nan 0.000 0.525 105 T N -2.808 111.744 114.554 -0.002 0.000 3.148 105 T HA 0.433 4.783 4.350 -0.000 0.000 0.253 105 T C 1.349 176.024 174.700 -0.042 0.000 1.134 105 T CA 1.071 63.163 62.100 -0.014 0.000 1.051 105 T CB -0.262 68.598 68.868 -0.014 0.000 0.959 105 T HN 2.113 nan 8.240 nan 0.000 0.525 106 G N 2.333 111.097 108.800 -0.059 0.000 2.601 106 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.252 106 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.252 106 G C -2.830 171.948 174.900 -0.205 0.000 1.294 106 G CA -0.568 44.456 45.100 -0.127 0.000 0.912 106 G HN 0.550 nan 8.290 nan 0.000 0.574 107 P HA 0.483 nan 4.420 nan 0.000 0.279 107 P C -0.640 176.504 177.300 -0.260 0.000 1.239 107 P CA -0.244 62.526 63.100 -0.550 0.000 0.789 107 P CB 1.233 32.120 31.700 -1.356 0.000 0.933 108 K N 3.265 123.583 120.400 -0.137 0.000 2.234 108 K HA 0.371 4.691 4.320 -0.000 0.000 0.277 108 K C -0.742 175.854 176.600 -0.007 0.000 1.038 108 K CA -0.348 55.912 56.287 -0.045 0.000 0.888 108 K CB -0.103 32.392 32.500 -0.008 0.000 1.091 108 K HN 0.358 nan 8.250 nan 0.000 0.467 109 L N 4.360 125.565 121.223 -0.029 0.000 2.305 109 L HA 0.411 4.751 4.340 -0.000 0.000 0.281 109 L C -0.597 176.132 176.870 -0.236 0.000 1.085 109 L CA -1.148 53.611 54.840 -0.134 0.000 0.813 109 L CB 1.316 43.197 42.059 -0.297 0.000 1.157 109 L HN 0.303 nan 8.230 nan 0.000 0.436 110 V N 3.430 123.162 119.914 -0.303 0.000 2.350 110 V HA 0.272 4.392 4.120 -0.000 0.000 0.285 110 V C -0.365 175.518 176.094 -0.352 0.000 1.014 110 V CA -0.328 61.842 62.300 -0.216 0.000 0.831 110 V CB 1.067 32.836 31.823 -0.091 0.000 1.000 110 V HN 0.428 nan 8.190 nan 0.000 0.433 111 F N 3.280 123.206 119.950 -0.040 0.000 2.605 111 F HA 0.368 4.895 4.527 0.000 0.000 0.352 111 F C 1.688 177.443 175.800 -0.074 0.000 1.236 111 F CA -0.282 57.677 58.000 -0.070 0.000 1.267 111 F CB 0.430 39.385 39.000 -0.076 0.000 1.632 111 F HN 0.604 nan 8.300 nan 0.000 0.639 112 G N 1.379 110.180 108.800 0.002 0.000 2.443 112 G HA2 0.021 3.981 3.960 -0.000 0.000 0.219 112 G HA3 0.021 3.981 3.960 -0.000 0.000 0.219 112 G C 0.883 175.764 174.900 -0.031 0.000 1.131 112 G CA 0.388 45.475 45.100 -0.021 0.000 0.775 112 G HN 0.610 nan 8.290 nan 0.000 0.547 113 A N 0.484 123.272 122.820 -0.053 0.000 2.401 113 A HA 0.498 4.818 4.320 -0.000 0.000 0.259 113 A C 0.262 177.807 177.584 -0.064 0.000 1.103 113 A CA -0.376 51.608 52.037 -0.089 0.000 0.789 113 A CB 0.389 19.280 19.000 -0.181 0.000 1.035 113 A HN 0.268 nan 8.150 nan 0.000 0.491 114 E N 1.736 121.897 120.200 -0.065 0.000 2.606 114 E HA 0.307 4.657 4.350 -0.000 0.000 0.248 114 E C 1.267 177.825 176.600 -0.070 0.000 1.005 114 E CA 1.641 58.007 56.400 -0.056 0.000 0.946 114 E CB -0.387 29.281 29.700 -0.053 0.000 0.928 114 E HN 1.624 nan 8.360 nan 0.000 0.494 115 G N 3.710 112.472 108.800 -0.063 0.000 2.179 115 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.260 115 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.260 115 G C 0.906 175.749 174.900 -0.095 0.000 0.977 115 G CA 0.637 45.691 45.100 -0.076 0.000 0.641 115 G HN 0.622 nan 8.290 nan 0.000 0.533 116 Q N -0.055 119.694 119.800 -0.086 0.000 2.050 116 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 116 Q C 2.216 178.122 176.000 -0.156 0.000 0.980 116 Q CA 1.850 57.604 55.803 -0.082 0.000 0.840 116 Q CB -0.170 28.570 28.738 0.003 0.000 0.898 116 Q HN 0.724 nan 8.270 nan 0.000 0.424 117 E N -0.572 119.481 120.200 -0.244 0.000 2.204 117 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 117 E C 1.296 177.695 176.600 -0.335 0.000 0.989 117 E CA 1.343 57.427 56.400 -0.527 0.000 0.824 117 E CB 0.284 29.676 29.700 -0.512 0.000 0.756 117 E HN 0.416 nan 8.360 nan 0.000 0.477 118 E N -0.383 119.695 120.200 -0.202 0.000 2.251 118 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 118 E C 1.301 177.828 176.600 -0.121 0.000 0.964 118 E CA 0.465 56.779 56.400 -0.143 0.000 0.868 118 E CB 0.257 29.895 29.700 -0.104 0.000 0.828 118 E HN 0.105 nan 8.360 nan 0.000 0.481 119 N N -0.425 118.203 118.700 -0.120 0.000 2.322 119 N HA 0.105 4.845 4.740 -0.000 0.000 0.181 119 N C 0.227 175.665 175.510 -0.120 0.000 1.088 119 N CA 0.230 53.220 53.050 -0.100 0.000 0.885 119 N CB 0.865 39.303 38.487 -0.082 0.000 1.013 119 N HN -0.022 nan 8.380 nan 0.000 0.472 120 S N -0.390 115.226 115.700 -0.140 0.000 2.786 120 S HA 0.640 5.110 4.470 -0.000 0.000 0.307 120 S C -0.186 174.297 174.600 -0.194 0.000 1.121 120 S CA -0.469 57.637 58.200 -0.157 0.000 0.975 120 S CB 1.101 64.264 63.200 -0.062 0.000 1.220 120 S HN 0.272 nan 8.310 nan 0.000 0.550 121 T N -0.577 113.834 114.554 -0.238 0.000 2.926 121 T HA 0.832 5.182 4.350 -0.000 0.000 0.289 121 T C -0.563 174.045 174.700 -0.154 0.000 1.054 121 T CA -0.514 61.467 62.100 -0.200 0.000 1.015 121 T CB 1.221 69.945 68.868 -0.239 0.000 1.167 121 T HN 0.983 nan 8.240 nan 0.000 0.526 122 S N -0.127 115.502 115.700 -0.119 0.000 2.638 122 S HA 0.621 5.091 4.470 -0.000 0.000 0.274 122 S C 0.058 174.615 174.600 -0.072 0.000 1.157 122 S CA -0.774 57.362 58.200 -0.106 0.000 0.826 122 S CB 1.091 64.269 63.200 -0.037 0.000 1.139 122 S HN 1.368 nan 8.310 nan 0.000 0.474 123 I N -2.740 117.798 120.570 -0.053 0.000 3.966 123 I HA 0.405 4.575 4.170 -0.000 0.000 0.324 123 I C 0.917 177.133 176.117 0.165 0.000 1.517 123 I CA -0.404 60.912 61.300 0.026 0.000 1.117 123 I CB -0.178 37.801 38.000 -0.036 0.000 1.190 123 I HN 0.545 nan 8.210 nan 0.000 0.466 124 C N 1.611 121.010 119.300 0.165 0.000 2.446 124 C HA 0.069 4.529 4.460 -0.000 0.000 0.279 124 C C 1.709 176.909 174.990 0.350 0.000 1.366 124 C CA 1.651 60.818 59.018 0.248 0.000 1.763 124 C CB -0.739 27.100 27.740 0.165 0.000 1.929 124 C HN 0.763 nan 8.230 nan 0.000 0.509 125 T N -3.469 111.219 114.554 0.224 0.000 2.930 125 T HA 0.631 4.981 4.350 -0.000 0.000 0.290 125 T C 0.813 175.215 174.700 -0.497 0.000 1.052 125 T CA 0.071 62.176 62.100 0.008 0.000 1.017 125 T CB 1.645 70.576 68.868 0.106 0.000 1.137 125 T HN 0.069 nan 8.240 nan 0.000 0.511 126 A N 0.551 122.905 122.820 -0.777 0.000 1.933 126 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 126 A C 2.003 179.379 177.584 -0.347 0.000 1.175 126 A CA 1.658 53.292 52.037 -0.671 0.000 0.628 126 A CB -1.017 17.797 19.000 -0.310 0.000 0.814 126 A HN 0.908 nan 8.150 nan 0.000 0.444 127 E N -0.538 119.493 120.200 -0.283 0.000 2.072 127 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 127 E C 1.922 178.374 176.600 -0.246 0.000 0.985 127 E CA 1.289 57.520 56.400 -0.281 0.000 0.801 127 E CB -0.351 29.169 29.700 -0.300 0.000 0.750 127 E HN 0.701 nan 8.360 nan 0.000 0.452 128 H N -0.253 118.758 119.070 -0.098 0.000 2.423 128 H HA 0.105 4.661 4.556 -0.000 0.000 0.297 128 H C 1.943 177.229 175.328 -0.071 0.000 1.075 128 H CA 1.300 57.311 56.048 -0.062 0.000 1.342 128 H CB -0.204 29.554 29.762 -0.007 0.000 1.395 128 H HN 0.223 nan 8.280 nan 0.000 0.530 129 A N 1.011 123.831 122.820 0.000 0.000 1.898 129 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 129 A C 2.614 180.200 177.584 0.005 0.000 1.181 129 A CA 0.800 52.832 52.037 -0.007 0.000 0.620 129 A CB -0.781 18.184 19.000 -0.058 0.000 0.819 129 A HN 0.269 nan 8.150 nan 0.000 0.442 130 L N -0.504 120.692 121.223 -0.045 0.000 2.201 130 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 130 L C 2.380 179.243 176.870 -0.013 0.000 1.105 130 L CA 0.851 55.672 54.840 -0.033 0.000 0.775 130 L CB -0.308 41.695 42.059 -0.093 0.000 0.913 130 L HN 0.349 nan 8.230 nan 0.000 0.440 131 E N -0.598 119.594 120.200 -0.013 0.000 2.158 131 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 131 E C 2.167 178.796 176.600 0.047 0.000 0.982 131 E CA 1.140 57.543 56.400 0.006 0.000 0.823 131 E CB -0.113 29.586 29.700 -0.002 0.000 0.766 131 E HN 0.409 nan 8.360 nan 0.000 0.468 132 T N 1.546 116.142 114.554 0.069 0.000 2.777 132 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 132 T C 1.845 176.638 174.700 0.155 0.000 1.040 132 T CA 1.477 63.660 62.100 0.139 0.000 1.141 132 T CB -0.118 68.819 68.868 0.115 0.000 0.868 132 T HN 0.036 nan 8.240 nan 0.000 0.444 133 Q N 1.642 121.501 119.800 0.098 0.000 2.152 133 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 133 Q C 2.016 178.034 176.000 0.031 0.000 0.985 133 Q CA 1.732 57.576 55.803 0.067 0.000 0.863 133 Q CB -0.277 28.501 28.738 0.068 0.000 0.904 133 Q HN 0.427 nan 8.270 nan 0.000 0.422 134 K N -0.490 119.930 120.400 0.034 0.000 2.097 134 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 134 K C 1.895 178.499 176.600 0.006 0.000 1.050 134 K CA 1.092 57.389 56.287 0.017 0.000 0.938 134 K CB 0.070 32.580 32.500 0.016 0.000 0.718 134 K HN 0.057 nan 8.250 nan 0.000 0.442 135 K N 0.900 121.333 120.400 0.055 0.000 2.217 135 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 135 K C 2.027 178.589 176.600 -0.062 0.000 1.051 135 K CA 0.827 57.177 56.287 0.104 0.000 0.952 135 K CB -0.125 32.560 32.500 0.308 0.000 0.736 135 K HN 0.183 nan 8.250 nan 0.000 0.453 136 L N 1.046 122.135 121.223 -0.223 0.000 2.156 136 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 136 L C 2.418 178.718 176.870 -0.950 0.000 1.095 136 L CA 0.874 55.296 54.840 -0.698 0.000 0.770 136 L CB -0.275 41.446 42.059 -0.564 0.000 0.914 136 L HN 0.116 nan 8.230 nan 0.000 0.439 137 Q N -0.076 119.474 119.800 -0.417 0.000 2.167 137 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 137 Q C 1.971 177.881 176.000 -0.149 0.000 0.970 137 Q CA 1.530 57.222 55.803 -0.184 0.000 0.855 137 Q CB -0.153 28.585 28.738 -0.000 0.000 0.911 137 Q HN 0.598 nan 8.270 nan 0.000 0.438 138 E N 0.422 120.535 120.200 -0.145 0.000 2.106 138 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 138 E C 1.962 178.495 176.600 -0.112 0.000 0.984 138 E CA 0.568 56.919 56.400 -0.081 0.000 0.806 138 E CB -0.043 29.638 29.700 -0.032 0.000 0.750 138 E HN 0.185 nan 8.360 nan 0.000 0.458 139 L N 0.295 121.368 121.223 -0.250 0.000 2.027 139 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 139 L C 1.935 178.726 176.870 -0.131 0.000 1.074 139 L CA 1.676 56.368 54.840 -0.247 0.000 0.745 139 L CB -0.722 41.055 42.059 -0.470 0.000 0.898 139 L HN 0.198 nan 8.230 nan 0.000 0.433 140 Y N -0.010 120.240 120.300 -0.084 0.000 2.256 140 Y HA -0.107 4.443 4.550 -0.000 0.000 0.288 140 Y C 2.586 178.460 175.900 -0.042 0.000 1.155 140 Y CA 0.710 58.771 58.100 -0.065 0.000 1.203 140 Y CB -1.673 36.756 38.460 -0.053 0.000 0.980 140 Y HN 0.308 nan 8.280 nan 0.000 0.530 141 A N 0.598 123.474 122.820 0.095 0.000 1.897 141 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 141 A C 0.501 178.101 177.584 0.027 0.000 1.181 141 A CA 1.437 53.506 52.037 0.054 0.000 0.620 141 A CB -0.762 18.258 19.000 0.035 0.000 0.821 141 A HN 0.534 nan 8.150 nan 0.000 0.443 142 N N -0.676 118.030 118.700 0.011 0.000 2.690 142 N HA 0.391 5.131 4.740 -0.000 0.000 0.255 142 N C -3.336 172.170 175.510 -0.006 0.000 1.195 142 N CA -2.004 51.047 53.050 0.002 0.000 0.790 142 N CB 0.668 39.157 38.487 0.002 0.000 1.216 142 N HN -0.002 nan 8.380 nan 0.000 0.528 143 P HA 0.295 nan 4.420 nan 0.000 0.269 143 P C 0.364 177.657 177.300 -0.013 0.000 1.205 143 P CA 0.372 63.460 63.100 -0.019 0.000 0.780 143 P CB 0.677 32.349 31.700 -0.047 0.000 0.858 144 G N 0.065 108.866 108.800 0.001 0.000 2.495 144 G HA2 0.449 4.409 3.960 -0.000 0.000 0.294 144 G HA3 0.449 4.409 3.960 -0.000 0.000 0.294 144 G C -3.326 171.600 174.900 0.043 0.000 1.397 144 G CA -0.953 44.159 45.100 0.020 0.000 0.790 144 G HN 0.303 nan 8.290 nan 0.000 0.486 145 P HA 0.316 nan 4.420 nan 0.000 0.264 145 P C -0.411 176.960 177.300 0.118 0.000 1.193 145 P CA 0.061 63.205 63.100 0.074 0.000 0.763 145 P CB 1.339 33.081 31.700 0.069 0.000 0.810 146 V N 4.668 124.660 119.914 0.130 0.000 2.555 146 V HA 0.395 4.515 4.120 -0.000 0.000 0.302 146 V C 0.132 176.317 176.094 0.152 0.000 1.038 146 V CA -0.731 61.685 62.300 0.195 0.000 0.887 146 V CB 2.384 34.331 31.823 0.207 0.000 0.991 146 V HN 0.383 nan 8.190 nan 0.000 0.434 147 V N 6.999 127.001 119.914 0.148 0.000 2.577 147 V HA 0.666 4.786 4.120 -0.000 0.000 0.303 147 V C -0.843 175.179 176.094 -0.120 0.000 1.042 147 V CA -0.262 62.083 62.300 0.076 0.000 0.872 147 V CB 1.727 33.647 31.823 0.161 0.000 0.998 147 V HN 0.774 nan 8.190 nan 0.000 0.423 148 I N 5.851 126.235 120.570 -0.311 0.000 2.785 148 I HA 0.988 5.158 4.170 -0.000 0.000 0.302 148 I C 0.603 175.975 176.117 -1.241 0.000 1.069 148 I CA 0.120 61.025 61.300 -0.658 0.000 1.045 148 I CB 2.257 40.194 38.000 -0.104 0.000 1.236 148 I HN 0.900 nan 8.210 nan 0.000 0.429 149 G N 2.948 110.791 108.800 -1.596 0.000 2.455 149 G HA2 0.579 4.539 3.960 -0.000 0.000 0.223 149 G HA3 0.579 4.539 3.960 -0.000 0.000 0.223 149 G C -2.117 172.470 174.900 -0.521 0.000 1.226 149 G CA 0.104 44.442 45.100 -1.270 0.000 0.948 149 G HN 0.882 nan 8.290 nan 0.000 0.478 150 A N -0.049 122.722 122.820 -0.081 0.000 2.381 150 A HA 0.764 5.083 4.320 -0.000 0.000 0.299 150 A C 0.053 177.717 177.584 0.132 0.000 1.049 150 A CA -0.221 51.852 52.037 0.060 0.000 0.715 150 A CB 0.657 19.675 19.000 0.030 0.000 1.222 150 A HN 1.845 nan 8.150 nan 0.000 0.428 151 I N -0.129 120.466 120.570 0.041 0.000 3.079 151 I HA 0.558 4.728 4.170 -0.000 0.000 0.295 151 I C -2.499 173.595 176.117 -0.040 0.000 1.094 151 I CA -2.358 58.917 61.300 -0.042 0.000 1.295 151 I CB 0.490 38.422 38.000 -0.113 0.000 1.443 151 I HN 0.250 nan 8.210 nan 0.000 0.607 152 P HA 0.149 nan 4.420 nan 0.000 0.268 152 P C 0.540 177.805 177.300 -0.058 0.000 1.205 152 P CA 0.934 64.022 63.100 -0.021 0.000 0.771 152 P CB 0.734 32.424 31.700 -0.018 0.000 0.858 153 G N 0.541 109.315 108.800 -0.043 0.000 2.175 153 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 153 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 153 G C 0.182 174.980 174.900 -0.170 0.000 0.982 153 G CA -0.149 44.904 45.100 -0.078 0.000 0.641 153 G HN 0.541 nan 8.290 nan 0.000 0.527 154 V N 1.767 121.537 119.914 -0.240 0.000 2.843 154 V HA 0.547 4.667 4.120 -0.000 0.000 0.305 154 V C 1.034 176.810 176.094 -0.530 0.000 1.065 154 V CA 0.844 62.813 62.300 -0.551 0.000 1.116 154 V CB 1.462 32.834 31.823 -0.751 0.000 0.968 154 V HN 1.162 nan 8.190 nan 0.000 0.487 158 G N 2.193 111.226 108.800 0.388 0.000 2.513 158 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 158 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 158 G C -0.867 174.215 174.900 0.302 0.000 1.160 158 G CA 1.726 46.971 45.100 0.241 0.000 0.767 158 G HN 0.259 nan 8.290 nan 0.000 0.571 159 P HA 0.063 nan 4.420 nan 0.000 0.221 159 P C 2.034 179.498 177.300 0.273 0.000 1.150 159 P CA 1.536 64.763 63.100 0.212 0.000 0.800 159 P CB -0.083 31.701 31.700 0.139 0.000 0.787 160 A N -1.204 121.779 122.820 0.271 0.000 1.877 160 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 160 A C 2.031 179.908 177.584 0.487 0.000 1.186 160 A CA 1.399 53.608 52.037 0.286 0.000 0.620 160 A CB -1.845 17.247 19.000 0.153 0.000 0.822 160 A HN 0.107 nan 8.150 nan 0.000 0.443 161 Y N -0.317 120.284 120.300 0.503 0.000 2.145 161 Y HA -0.179 4.371 4.550 0.000 0.000 0.286 161 Y C 2.491 178.612 175.900 0.368 0.000 1.145 161 Y CA 1.778 60.100 58.100 0.369 0.000 1.148 161 Y CB -0.429 38.200 38.460 0.282 0.000 0.981 161 Y HN 0.457 nan 8.280 nan 0.000 0.507 162 E N -0.318 120.202 120.200 0.532 0.000 2.033 162 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 162 E C 2.048 178.848 176.600 0.333 0.000 1.011 162 E CA 1.708 58.367 56.400 0.431 0.000 0.815 162 E CB -0.453 29.427 29.700 0.300 0.000 0.755 162 E HN 0.419 nan 8.360 nan 0.000 0.451 163 F N 0.760 120.814 119.950 0.173 0.000 2.095 163 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 163 F C 2.048 177.923 175.800 0.125 0.000 1.104 163 F CA 1.626 59.685 58.000 0.097 0.000 1.232 163 F CB -0.404 38.648 39.000 0.087 0.000 0.987 163 F HN 0.094 nan 8.300 nan 0.000 0.475 164 A N 0.649 123.625 122.820 0.260 0.000 1.873 164 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 164 A C 2.140 179.746 177.584 0.036 0.000 1.193 164 A CA 1.896 54.011 52.037 0.130 0.000 0.629 164 A CB -1.131 17.990 19.000 0.202 0.000 0.826 164 A HN 0.414 nan 8.150 nan 0.000 0.447 165 L N -1.152 120.134 121.223 0.105 0.000 2.093 165 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 165 L C 2.665 179.671 176.870 0.226 0.000 1.085 165 L CA 1.661 56.573 54.840 0.120 0.000 0.755 165 L CB -1.298 40.806 42.059 0.076 0.000 0.904 165 L HN 0.473 nan 8.230 nan 0.000 0.435 166 M N -1.073 118.624 119.600 0.162 0.000 2.132 166 M HA -0.227 4.253 4.480 -0.000 0.000 0.263 166 M C 2.156 178.502 176.300 0.076 0.000 1.065 166 M CA 1.409 56.801 55.300 0.154 0.000 1.122 166 M CB -0.338 32.184 32.600 -0.130 0.000 1.365 166 M HN 0.170 nan 8.290 nan 0.000 0.411 167 L N -0.385 120.732 121.223 -0.177 0.000 2.093 167 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 167 L C 2.377 179.253 176.870 0.010 0.000 1.085 167 L CA 2.105 56.826 54.840 -0.199 0.000 0.755 167 L CB -0.955 40.846 42.059 -0.430 0.000 0.904 167 L HN 0.313 nan 8.230 nan 0.000 0.435 168 H N -1.621 117.443 119.070 -0.010 0.000 2.319 168 H HA -0.318 4.238 4.556 -0.000 0.000 0.297 168 H C 2.126 177.510 175.328 0.094 0.000 1.097 168 H CA 2.566 58.631 56.048 0.028 0.000 1.285 168 H CB -0.611 29.157 29.762 0.009 0.000 1.368 168 H HN 0.517 nan 8.280 nan 0.000 0.495 169 Y N 0.813 121.109 120.300 -0.006 0.000 2.181 169 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 169 Y C 2.578 178.472 175.900 -0.011 0.000 1.146 169 Y CA 2.101 60.193 58.100 -0.014 0.000 1.164 169 Y CB -0.247 38.308 38.460 0.159 0.000 0.982 169 Y HN 0.440 nan 8.280 nan 0.000 0.515 170 E N 0.003 120.285 120.200 0.137 0.000 2.072 170 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 170 E C 1.905 178.400 176.600 -0.174 0.000 0.985 170 E CA 1.338 57.759 56.400 0.035 0.000 0.801 170 E CB -0.512 29.311 29.700 0.205 0.000 0.750 170 E HN 0.397 nan 8.360 nan 0.000 0.452 171 L N 1.079 122.218 121.223 -0.140 0.000 2.079 171 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 171 L C 2.269 179.029 176.870 -0.183 0.000 1.081 171 L CA 1.786 56.538 54.840 -0.147 0.000 0.752 171 L CB -0.782 41.234 42.059 -0.071 0.000 0.896 171 L HN 0.134 nan 8.230 nan 0.000 0.433 172 K N -1.054 119.185 120.400 -0.267 0.000 2.103 172 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 172 K C 2.027 178.473 176.600 -0.256 0.000 1.052 172 K CA 0.762 56.886 56.287 -0.272 0.000 0.945 172 K CB 0.155 32.421 32.500 -0.391 0.000 0.722 172 K HN 0.029 nan 8.250 nan 0.000 0.443 173 K N 0.667 120.858 120.400 -0.349 0.000 2.211 173 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 173 K C 1.680 178.156 176.600 -0.207 0.000 1.050 173 K CA 1.111 57.208 56.287 -0.317 0.000 0.945 173 K CB 0.049 32.291 32.500 -0.431 0.000 0.732 173 K HN 0.344 nan 8.250 nan 0.000 0.451 174 R N -0.495 119.885 120.500 -0.200 0.000 2.334 174 R HA 0.148 4.488 4.340 -0.000 0.000 0.220 174 R C 0.801 177.048 176.300 -0.087 0.000 0.917 174 R CA 0.634 56.641 56.100 -0.155 0.000 1.073 174 R CB -0.094 30.075 30.300 -0.218 0.000 1.056 174 R HN 0.024 nan 8.270 nan 0.000 0.506 175 G N 1.508 110.266 108.800 -0.071 0.000 2.221 175 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.265 175 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.265 175 G C 0.341 175.320 174.900 0.132 0.000 1.041 175 G CA 0.460 45.565 45.100 0.009 0.000 0.807 175 G HN 0.493 nan 8.290 nan 0.000 0.502 176 I N -1.340 119.271 120.570 0.068 0.000 4.240 176 I HA 0.173 4.343 4.170 -0.000 0.000 0.331 176 I C 2.240 178.351 176.117 -0.010 0.000 1.381 176 I CA -0.111 61.206 61.300 0.029 0.000 1.136 176 I CB 0.264 38.245 38.000 -0.030 0.000 1.137 176 I HN 0.150 nan 8.210 nan 0.000 0.411 177 R N 1.657 122.188 120.500 0.051 0.000 2.127 177 R HA -0.239 4.101 4.340 -0.000 0.000 0.238 177 R C 2.037 178.388 176.300 0.086 0.000 1.134 177 R CA 2.294 58.418 56.100 0.039 0.000 0.975 177 R CB -0.867 29.427 30.300 -0.010 0.000 0.865 177 R HN 0.605 nan 8.270 nan 0.000 0.447 178 Y N -1.379 118.920 120.300 -0.003 0.000 2.616 178 Y HA 0.171 4.721 4.550 -0.000 0.000 0.296 178 Y C 0.936 176.845 175.900 0.015 0.000 1.154 178 Y CA 0.501 58.608 58.100 0.011 0.000 1.325 178 Y CB -0.008 38.455 38.460 0.005 0.000 1.007 178 Y HN -0.056 nan 8.280 nan 0.000 0.542 179 K N 0.431 120.553 120.400 -0.463 0.000 2.353 179 K HA 0.267 4.587 4.320 -0.000 0.000 0.195 179 K C -0.590 175.921 176.600 -0.148 0.000 1.031 179 K CA 0.055 56.111 56.287 -0.384 0.000 1.079 179 K CB 1.138 33.362 32.500 -0.461 0.000 0.857 179 K HN 0.085 nan 8.250 nan 0.000 0.535 180 V N 3.627 123.496 119.914 -0.075 0.000 2.325 180 V HA 0.221 4.341 4.120 -0.000 0.000 0.280 180 V C -2.551 173.558 176.094 0.025 0.000 1.016 180 V CA -2.228 60.064 62.300 -0.013 0.000 0.818 180 V CB 0.984 32.808 31.823 0.002 0.000 1.019 180 V HN -0.021 nan 8.190 nan 0.000 0.434 181 P HA 0.229 nan 4.420 nan 0.000 0.266 181 P C -0.473 176.863 177.300 0.060 0.000 1.195 181 P CA 0.340 63.468 63.100 0.046 0.000 0.768 181 P CB 0.394 32.121 31.700 0.045 0.000 0.838 182 M N 2.108 121.742 119.600 0.057 0.000 2.204 182 M HA 0.327 4.807 4.480 -0.000 0.000 0.293 182 M C -0.779 175.555 176.300 0.056 0.000 0.994 182 M CA -0.148 55.186 55.300 0.057 0.000 0.925 182 M CB 2.252 34.872 32.600 0.034 0.000 1.577 182 M HN 0.179 nan 8.290 nan 0.000 0.439 183 T N 2.523 117.127 114.554 0.084 0.000 2.886 183 T HA 0.576 4.926 4.350 -0.000 0.000 0.292 183 T C -1.461 173.329 174.700 0.151 0.000 1.012 183 T CA -0.462 61.708 62.100 0.116 0.000 0.982 183 T CB 1.670 70.599 68.868 0.102 0.000 1.018 183 T HN 0.429 nan 8.240 nan 0.000 0.451 184 F N 3.636 123.629 119.950 0.071 0.000 2.444 184 F HA 0.756 5.283 4.527 -0.000 0.000 0.342 184 F C -0.688 175.184 175.800 0.120 0.000 1.121 184 F CA -1.136 56.911 58.000 0.078 0.000 0.997 184 F CB 0.745 39.869 39.000 0.208 0.000 1.130 184 F HN 0.528 nan 8.300 nan 0.000 0.454 185 I N 6.203 126.609 120.570 -0.274 0.000 2.466 185 I HA 0.580 4.750 4.170 -0.000 0.000 0.289 185 I C -1.347 174.690 176.117 -0.134 0.000 1.026 185 I CA -0.057 61.190 61.300 -0.089 0.000 1.078 185 I CB 1.677 39.648 38.000 -0.049 0.000 1.249 185 I HN 0.681 nan 8.210 nan 0.000 0.429 186 T N 1.757 116.323 114.554 0.020 0.000 2.906 186 T HA 0.282 4.631 4.350 -0.000 0.000 0.295 186 T C 0.746 175.489 174.700 0.072 0.000 1.061 186 T CA -0.286 61.863 62.100 0.083 0.000 1.000 186 T CB 1.620 70.588 68.868 0.168 0.000 1.103 186 T HN 0.597 nan 8.240 nan 0.000 0.486 187 S N -0.147 115.627 115.700 0.122 0.000 2.481 187 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 187 S C 0.480 175.045 174.600 -0.057 0.000 0.996 187 S CA -0.005 58.235 58.200 0.066 0.000 0.942 187 S CB -0.614 62.655 63.200 0.115 0.000 0.768 187 S HN 0.784 nan 8.310 nan 0.000 0.520 188 E N 3.028 123.127 120.200 -0.169 0.000 2.502 188 E HA 0.023 4.373 4.350 -0.000 0.000 0.261 188 E C -1.516 174.844 176.600 -0.400 0.000 0.974 188 E CA -1.240 54.866 56.400 -0.489 0.000 0.936 188 E CB 0.406 29.755 29.700 -0.586 0.000 0.926 188 E HN 0.229 nan 8.360 nan 0.000 0.459 189 P HA -0.131 nan 4.420 nan 0.000 0.223 189 P C -0.675 176.551 177.300 -0.123 0.000 1.151 189 P CA 1.414 64.331 63.100 -0.305 0.000 0.787 189 P CB -0.020 31.491 31.700 -0.314 0.000 0.788 190 Y N -4.265 115.930 120.300 -0.174 0.000 2.624 190 Y HA 0.537 5.087 4.550 -0.000 0.000 0.334 190 Y C -0.704 175.028 175.900 -0.280 0.000 1.155 190 Y CA -2.403 55.593 58.100 -0.174 0.000 1.046 190 Y CB -0.234 38.136 38.460 -0.149 0.000 1.316 190 Y HN -0.414 nan 8.280 nan 0.000 0.457 191 L N 2.935 124.017 121.223 -0.236 0.000 2.525 191 L HA 0.396 4.736 4.340 -0.000 0.000 0.278 191 L C 1.354 177.951 176.870 -0.455 0.000 1.218 191 L CA 1.773 56.367 54.840 -0.411 0.000 0.878 191 L CB 0.013 41.598 42.059 -0.789 0.000 1.127 191 L HN 1.179 nan 8.230 nan 0.000 0.492 192 G N 1.475 109.785 108.800 -0.818 0.000 2.160 192 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.251 192 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.251 192 G C 1.199 175.326 174.900 -1.288 0.000 1.008 192 G CA 0.596 44.821 45.100 -1.458 0.000 0.724 192 G HN 0.872 nan 8.290 nan 0.000 0.514 193 H N -0.281 118.140 119.070 -1.081 0.000 2.343 193 H HA 0.022 4.578 4.556 0.000 0.000 0.303 193 H C 2.045 176.981 175.328 -0.653 0.000 1.068 193 H CA 1.890 57.412 56.048 -0.876 0.000 1.359 193 H CB -0.091 29.005 29.762 -1.111 0.000 1.402 193 H HN 0.786 nan 8.280 nan 0.000 0.515 194 F N -0.914 118.813 119.950 -0.371 0.000 3.006 194 F HA -0.213 4.314 4.527 -0.000 0.000 0.289 194 F C 1.598 177.347 175.800 -0.084 0.000 0.772 194 F CA 1.499 59.348 58.000 -0.252 0.000 1.162 194 F CB -2.032 36.819 39.000 -0.248 0.000 1.382 194 F HN 0.458 nan 8.300 nan 0.000 0.406 195 G N -0.733 108.111 108.800 0.074 0.000 2.155 195 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.257 195 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.257 195 G C 0.590 175.504 174.900 0.023 0.000 0.983 195 G CA 0.675 45.904 45.100 0.216 0.000 0.676 195 G HN 1.773 nan 8.290 nan 0.000 0.528 196 V N -3.928 115.824 119.914 -0.270 0.000 3.398 196 V HA 0.683 4.803 4.120 -0.000 0.000 0.298 196 V C 1.609 177.477 176.094 -0.377 0.000 1.496 196 V CA 1.090 63.254 62.300 -0.227 0.000 1.044 196 V CB 0.185 31.948 31.823 -0.100 0.000 0.880 196 V HN 2.150 nan 8.190 nan 0.000 0.443 197 G N -0.181 108.085 108.800 -0.889 0.000 2.147 197 G HA2 0.245 4.205 3.960 -0.000 0.000 0.244 197 G HA3 0.245 4.205 3.960 -0.000 0.000 0.244 197 G C 1.197 175.929 174.900 -0.281 0.000 1.005 197 G CA 0.261 45.032 45.100 -0.549 0.000 0.713 197 G HN 2.526 nan 8.290 nan 0.000 0.515 198 G N -1.391 107.175 108.800 -0.390 0.000 2.733 198 G HA2 0.121 4.081 3.960 -0.000 0.000 0.686 198 G HA3 0.121 4.081 3.960 -0.000 0.000 0.686 198 G C -0.383 174.455 174.900 -0.104 0.000 1.373 198 G CA -0.199 44.790 45.100 -0.185 0.000 0.838 198 G HN 1.346 nan 8.290 nan 0.000 0.588 199 I N 2.890 123.439 120.570 -0.035 0.000 2.420 199 I HA 0.547 4.717 4.170 -0.000 0.000 0.282 199 I C 1.229 177.403 176.117 0.095 0.000 1.019 199 I CA 0.420 61.747 61.300 0.044 0.000 1.130 199 I CB 0.774 38.840 38.000 0.110 0.000 1.262 199 I HN 1.933 nan 8.210 nan 0.000 0.454 200 G N 4.952 113.783 108.800 0.052 0.000 2.611 200 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.301 200 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.301 200 G C 0.536 175.453 174.900 0.028 0.000 1.233 200 G CA 0.251 45.383 45.100 0.053 0.000 0.993 200 G HN 0.940 nan 8.290 nan 0.000 0.553 201 A N 0.306 123.151 122.820 0.041 0.000 3.105 201 A HA 0.620 4.940 4.320 -0.000 0.000 0.272 201 A C 1.946 179.542 177.584 0.020 0.000 1.466 201 A CA 1.394 53.434 52.037 0.005 0.000 1.101 201 A CB -0.665 18.337 19.000 0.003 0.000 1.065 201 A HN 2.003 nan 8.150 nan 0.000 0.643 202 S N 0.012 115.734 115.700 0.036 0.000 2.423 202 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 202 S C 1.819 176.334 174.600 -0.141 0.000 1.014 202 S CA 1.233 59.461 58.200 0.047 0.000 0.965 202 S CB -0.215 63.001 63.200 0.026 0.000 0.785 202 S HN 0.694 nan 8.310 nan 0.000 0.495 203 K N 1.660 121.954 120.400 -0.177 0.000 2.001 203 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 203 K C 2.532 179.000 176.600 -0.219 0.000 1.048 203 K CA 1.203 57.351 56.287 -0.232 0.000 0.932 203 K CB -0.280 32.042 32.500 -0.297 0.000 0.715 203 K HN 0.372 nan 8.250 nan 0.000 0.437 204 R N 0.819 121.229 120.500 -0.151 0.000 2.091 204 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 204 R C 2.469 178.719 176.300 -0.083 0.000 1.136 204 R CA 1.455 57.494 56.100 -0.102 0.000 0.959 204 R CB -0.363 29.898 30.300 -0.065 0.000 0.856 204 R HN 0.355 nan 8.270 nan 0.000 0.437 205 L N 0.006 121.194 121.223 -0.059 0.000 2.017 205 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 205 L C 1.986 178.803 176.870 -0.087 0.000 1.073 205 L CA 1.250 56.076 54.840 -0.023 0.000 0.745 205 L CB -0.087 42.008 42.059 0.060 0.000 0.894 205 L HN 0.089 nan 8.230 nan 0.000 0.432 206 V N -0.358 119.438 119.914 -0.198 0.000 2.453 206 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 206 V C 2.339 178.133 176.094 -0.500 0.000 1.048 206 V CA 1.829 63.883 62.300 -0.408 0.000 1.049 206 V CB -0.588 30.855 31.823 -0.633 0.000 0.672 206 V HN 0.460 nan 8.190 nan 0.000 0.457 207 E N 0.125 120.078 120.200 -0.412 0.000 2.085 207 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 207 E C 2.003 178.580 176.600 -0.039 0.000 0.994 207 E CA 1.623 57.860 56.400 -0.272 0.000 0.801 207 E CB -0.158 29.438 29.700 -0.174 0.000 0.743 207 E HN 0.590 nan 8.360 nan 0.000 0.453 208 D N 0.401 120.778 120.400 -0.039 0.000 2.097 208 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 208 D C 2.015 178.338 176.300 0.039 0.000 0.984 208 D CA 0.571 54.583 54.000 0.020 0.000 0.826 208 D CB -0.229 40.577 40.800 0.010 0.000 0.973 208 D HN 0.059 nan 8.370 nan 0.000 0.460 209 L N 0.205 121.432 121.223 0.007 0.000 2.012 209 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 209 L C 2.101 179.049 176.870 0.130 0.000 1.073 209 L CA 1.501 56.356 54.840 0.024 0.000 0.748 209 L CB -0.644 41.383 42.059 -0.053 0.000 0.891 209 L HN -0.120 nan 8.230 nan 0.000 0.431 210 F N 0.049 119.930 119.950 -0.116 0.000 2.171 210 F HA -0.134 4.393 4.527 0.000 0.000 0.300 210 F C 2.527 178.341 175.800 0.023 0.000 1.090 210 F CA 0.808 58.771 58.000 -0.062 0.000 1.293 210 F CB -1.503 37.482 39.000 -0.024 0.000 1.013 210 F HN 0.232 nan 8.300 nan 0.000 0.486 211 A N -0.128 122.841 122.820 0.249 0.000 1.873 211 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 211 A C 2.153 179.790 177.584 0.087 0.000 1.186 211 A CA 1.611 53.750 52.037 0.170 0.000 0.616 211 A CB -0.719 18.377 19.000 0.160 0.000 0.823 211 A HN 0.417 nan 8.150 nan 0.000 0.442 212 E N -0.622 119.616 120.200 0.064 0.000 2.204 212 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 212 E C 1.464 178.066 176.600 0.004 0.000 0.989 212 E CA 0.820 57.242 56.400 0.037 0.000 0.824 212 E CB -0.083 29.639 29.700 0.037 0.000 0.756 212 E HN 0.519 nan 8.360 nan 0.000 0.477 213 R N 0.490 120.948 120.500 -0.071 0.000 2.468 213 R HA 0.096 4.436 4.340 -0.000 0.000 0.280 213 R C -0.021 176.131 176.300 -0.247 0.000 0.963 213 R CA -0.151 55.794 56.100 -0.257 0.000 1.083 213 R CB 0.084 30.055 30.300 -0.549 0.000 1.200 213 R HN 0.020 nan 8.270 nan 0.000 0.541 214 N N 1.319 119.975 118.700 -0.073 0.000 2.725 214 N HA -0.189 4.551 4.740 -0.000 0.000 0.251 214 N C -1.226 174.249 175.510 -0.059 0.000 1.031 214 N CA 0.479 53.518 53.050 -0.017 0.000 0.720 214 N CB -0.902 37.606 38.487 0.036 0.000 0.930 214 N HN 0.283 nan 8.380 nan 0.000 0.543 215 I N 0.641 121.134 120.570 -0.129 0.000 2.307 215 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 215 I C 0.323 176.476 176.117 0.060 0.000 1.021 215 I CA -0.773 60.410 61.300 -0.196 0.000 1.224 215 I CB 0.787 38.352 38.000 -0.724 0.000 1.376 215 I HN 0.110 nan 8.210 nan 0.000 0.470 216 D N 7.131 127.582 120.400 0.085 0.000 2.382 216 D HA 0.200 4.840 4.640 -0.000 0.000 0.240 216 D C -0.700 175.772 176.300 0.286 0.000 1.146 216 D CA 0.411 54.473 54.000 0.103 0.000 0.897 216 D CB 1.001 41.815 40.800 0.023 0.000 1.197 216 D HN 0.489 nan 8.370 nan 0.000 0.432 217 W N 0.033 121.426 121.300 0.156 0.000 3.167 217 W HA 0.614 5.274 4.660 0.000 0.000 0.324 217 W C -1.901 174.676 176.519 0.097 0.000 1.230 217 W CA -0.999 56.472 57.345 0.211 0.000 1.184 217 W CB 0.262 29.937 29.460 0.357 0.000 1.414 217 W HN 0.102 nan 8.180 nan 0.000 0.551 218 I N 2.501 123.270 120.570 0.332 0.000 2.534 218 I HA 0.652 4.822 4.170 -0.000 0.000 0.288 218 I C -0.129 176.114 176.117 0.210 0.000 1.077 218 I CA -0.681 60.685 61.300 0.110 0.000 1.051 218 I CB 1.802 39.648 38.000 -0.257 0.000 1.234 218 I HN 0.596 nan 8.210 nan 0.000 0.425 219 A N 3.881 126.863 122.820 0.270 0.000 2.384 219 A HA 0.756 5.076 4.320 -0.000 0.000 0.312 219 A C 0.314 177.955 177.584 0.094 0.000 1.113 219 A CA -0.483 51.671 52.037 0.194 0.000 0.779 219 A CB 1.166 20.315 19.000 0.248 0.000 1.307 219 A HN 0.794 nan 8.150 nan 0.000 0.436 220 N N -1.762 116.955 118.700 0.028 0.000 2.776 220 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 220 N C -0.385 175.147 175.510 0.036 0.000 1.111 220 N CA 1.291 54.347 53.050 0.010 0.000 0.711 220 N CB -1.685 36.822 38.487 0.034 0.000 1.065 220 N HN 1.690 nan 8.380 nan 0.000 0.556 221 V N -3.871 116.063 119.914 0.033 0.000 3.126 221 V HA 1.008 5.128 4.120 -0.000 0.000 0.314 221 V C 0.058 176.196 176.094 0.073 0.000 1.138 221 V CA -0.590 61.757 62.300 0.078 0.000 1.034 221 V CB 2.113 33.978 31.823 0.070 0.000 1.075 221 V HN 0.328 nan 8.190 nan 0.000 0.442 222 A N 1.584 124.475 122.820 0.119 0.000 2.285 222 A HA 0.740 5.060 4.320 -0.000 0.000 0.310 222 A C -0.412 177.233 177.584 0.102 0.000 1.266 222 A CA -0.611 51.473 52.037 0.079 0.000 0.832 222 A CB 0.919 19.949 19.000 0.051 0.000 1.163 222 A HN 1.227 nan 8.150 nan 0.000 0.499 223 V N 4.549 124.488 119.914 0.042 0.000 2.450 223 V HA 0.048 4.168 4.120 -0.000 0.000 0.281 223 V C 0.886 176.939 176.094 -0.069 0.000 1.019 223 V CA 0.486 62.773 62.300 -0.023 0.000 1.062 223 V CB 0.532 32.227 31.823 -0.214 0.000 0.979 223 V HN 0.940 nan 8.190 nan 0.000 0.477 224 K N 3.361 123.734 120.400 -0.046 0.000 2.350 224 K HA 0.450 4.770 4.320 -0.000 0.000 0.196 224 K C 0.418 176.968 176.600 -0.083 0.000 1.084 224 K CA 0.747 57.000 56.287 -0.056 0.000 0.967 224 K CB 1.151 33.631 32.500 -0.033 0.000 0.950 224 K HN 0.701 nan 8.250 nan 0.000 0.512 225 A N 1.024 123.784 122.820 -0.101 0.000 2.547 225 A HA 0.683 5.003 4.320 -0.000 0.000 0.297 225 A C -1.312 176.192 177.584 -0.133 0.000 1.056 225 A CA -0.639 51.335 52.037 -0.105 0.000 0.688 225 A CB 1.169 20.125 19.000 -0.074 0.000 1.282 225 A HN 0.090 nan 8.150 nan 0.000 0.400 226 I N 2.611 123.098 120.570 -0.139 0.000 2.420 226 I HA 0.313 4.483 4.170 -0.000 0.000 0.282 226 I C -0.331 175.735 176.117 -0.084 0.000 1.019 226 I CA -0.338 60.882 61.300 -0.134 0.000 1.130 226 I CB 1.521 39.407 38.000 -0.190 0.000 1.262 226 I HN 0.604 nan 8.210 nan 0.000 0.454 227 E N 6.735 126.901 120.200 -0.057 0.000 2.254 227 E HA 0.328 4.678 4.350 -0.000 0.000 0.261 227 E C -1.830 174.750 176.600 -0.033 0.000 1.051 227 E CA -1.877 54.497 56.400 -0.043 0.000 0.902 227 E CB 0.794 30.475 29.700 -0.033 0.000 1.168 227 E HN 0.223 nan 8.360 nan 0.000 0.423 228 P HA -0.125 nan 4.420 nan 0.000 0.223 228 P C 0.395 177.692 177.300 -0.004 0.000 1.144 228 P CA 1.294 64.381 63.100 -0.020 0.000 0.783 228 P CB 0.250 31.939 31.700 -0.019 0.000 0.771 229 D N -2.101 118.299 120.400 -0.001 0.000 2.514 229 D HA 0.046 4.686 4.640 -0.000 0.000 0.225 229 D C 0.425 176.737 176.300 0.020 0.000 1.159 229 D CA 0.162 54.169 54.000 0.011 0.000 0.823 229 D CB 0.320 41.124 40.800 0.006 0.000 1.097 229 D HN 0.217 nan 8.370 nan 0.000 0.519 230 K N -0.877 119.532 120.400 0.015 0.000 2.615 230 K HA 0.549 4.869 4.320 -0.000 0.000 0.291 230 K C -1.866 174.747 176.600 0.022 0.000 1.017 230 K CA -0.934 55.370 56.287 0.028 0.000 0.882 230 K CB 1.737 34.249 32.500 0.020 0.000 1.522 230 K HN -0.170 nan 8.250 nan 0.000 0.412 231 V N 2.012 121.957 119.914 0.052 0.000 2.448 231 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 231 V C -0.559 175.574 176.094 0.064 0.000 1.025 231 V CA -0.755 61.570 62.300 0.042 0.000 0.859 231 V CB 1.357 33.244 31.823 0.106 0.000 0.988 231 V HN 0.601 nan 8.190 nan 0.000 0.431 232 I N 6.153 126.728 120.570 0.009 0.000 2.354 232 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 232 I C -0.624 175.519 176.117 0.044 0.000 0.989 232 I CA -0.519 60.771 61.300 -0.017 0.000 1.188 232 I CB 1.247 39.209 38.000 -0.063 0.000 1.342 232 I HN 0.750 nan 8.210 nan 0.000 0.457 233 Y N 3.271 123.581 120.300 0.016 0.000 2.605 233 Y HA 0.770 5.320 4.550 0.000 0.000 0.343 233 Y C -0.933 175.008 175.900 0.068 0.000 1.036 233 Y CA -1.189 56.927 58.100 0.026 0.000 1.065 233 Y CB 1.257 39.746 38.460 0.048 0.000 1.288 233 Y HN 0.508 nan 8.280 nan 0.000 0.481 234 E N 1.433 121.773 120.200 0.233 0.000 2.266 234 E HA 0.294 4.644 4.350 -0.000 0.000 0.268 234 E C -1.658 175.090 176.600 0.248 0.000 0.879 234 E CA -0.920 55.563 56.400 0.139 0.000 0.762 234 E CB 1.767 31.494 29.700 0.045 0.000 1.199 234 E HN 0.842 nan 8.360 nan 0.000 0.422 235 D N 2.544 123.083 120.400 0.232 0.000 2.478 235 D HA 0.110 4.750 4.640 -0.000 0.000 0.263 235 D C 1.114 177.484 176.300 0.117 0.000 1.153 235 D CA -0.513 53.613 54.000 0.211 0.000 1.038 235 D CB 0.617 41.573 40.800 0.260 0.000 1.120 235 D HN 0.449 nan 8.370 nan 0.000 0.564 236 L N -0.497 120.783 121.223 0.095 0.000 2.362 236 L HA -0.038 4.302 4.340 -0.000 0.000 0.219 236 L C 1.510 178.409 176.870 0.048 0.000 1.134 236 L CA 0.891 55.767 54.840 0.060 0.000 0.807 236 L CB -0.676 41.413 42.059 0.050 0.000 0.927 236 L HN 0.418 nan 8.230 nan 0.000 0.447 237 N N -0.414 118.320 118.700 0.056 0.000 2.494 237 N HA -0.015 4.725 4.740 -0.000 0.000 0.182 237 N C 1.240 176.764 175.510 0.022 0.000 1.076 237 N CA 0.627 53.700 53.050 0.038 0.000 0.908 237 N CB 0.245 38.759 38.487 0.044 0.000 0.967 237 N HN 0.379 nan 8.380 nan 0.000 0.449 238 G N 0.363 109.177 108.800 0.025 0.000 2.157 238 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.239 238 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.239 238 G C -0.447 174.433 174.900 -0.033 0.000 0.982 238 G CA -0.525 44.575 45.100 -0.000 0.000 0.650 238 G HN 0.229 nan 8.290 nan 0.000 0.527 239 N N 0.806 119.485 118.700 -0.035 0.000 2.530 239 N HA 0.435 5.175 4.740 -0.000 0.000 0.273 239 N C -0.066 175.276 175.510 -0.280 0.000 1.173 239 N CA 0.455 53.415 53.050 -0.149 0.000 0.967 239 N CB 1.163 39.573 38.487 -0.128 0.000 1.109 239 N HN 0.137 nan 8.380 nan 0.000 0.453 240 T N 1.544 115.844 114.554 -0.422 0.000 2.867 240 T HA 0.405 4.755 4.350 -0.000 0.000 0.282 240 T C -0.783 173.448 174.700 -0.783 0.000 1.000 240 T CA -0.336 61.496 62.100 -0.446 0.000 1.042 240 T CB 0.397 69.115 68.868 -0.250 0.000 0.973 240 T HN 0.445 nan 8.240 nan 0.000 0.465 241 H N 0.516 119.297 119.070 -0.482 0.000 2.851 241 H HA 0.504 5.060 4.556 -0.000 0.000 0.372 241 H C -0.481 174.542 175.328 -0.508 0.000 1.158 241 H CA -1.022 54.695 56.048 -0.551 0.000 1.159 241 H CB 1.492 30.771 29.762 -0.806 0.000 1.757 241 H HN 0.629 nan 8.280 nan 0.000 0.546 242 E N 1.178 121.305 120.200 -0.121 0.000 2.256 242 E HA 0.695 5.045 4.350 -0.000 0.000 0.267 242 E C -1.419 175.219 176.600 0.064 0.000 0.892 242 E CA -1.112 55.269 56.400 -0.033 0.000 0.775 242 E CB 2.708 32.390 29.700 -0.030 0.000 1.207 242 E HN 0.220 nan 8.360 nan 0.000 0.420 243 V N 3.017 122.998 119.914 0.112 0.000 2.623 243 V HA 0.370 4.490 4.120 -0.000 0.000 0.304 243 V C -2.500 173.653 176.094 0.099 0.000 1.054 243 V CA -2.174 60.206 62.300 0.134 0.000 0.882 243 V CB 2.347 34.297 31.823 0.213 0.000 1.002 243 V HN 0.707 nan 8.190 nan 0.000 0.424 244 P HA 0.476 nan 4.420 nan 0.000 0.269 244 P C -1.116 176.231 177.300 0.078 0.000 1.209 244 P CA 0.007 63.145 63.100 0.063 0.000 0.776 244 P CB 0.773 32.504 31.700 0.051 0.000 0.876 245 A N 1.958 124.820 122.820 0.071 0.000 2.512 245 A HA 0.328 4.648 4.320 -0.000 0.000 0.294 245 A C 0.374 178.005 177.584 0.078 0.000 1.054 245 A CA -0.527 51.563 52.037 0.088 0.000 0.756 245 A CB 1.073 20.135 19.000 0.103 0.000 1.293 245 A HN 0.469 nan 8.150 nan 0.000 0.395 246 K N 1.019 121.480 120.400 0.101 0.000 2.276 246 K HA 0.279 4.599 4.320 -0.000 0.000 0.198 246 K C -0.460 176.238 176.600 0.164 0.000 1.052 246 K CA 0.734 57.084 56.287 0.105 0.000 0.984 246 K CB 0.237 32.793 32.500 0.094 0.000 0.836 246 K HN 0.634 nan 8.250 nan 0.000 0.490 247 F N 1.171 121.138 119.950 0.028 0.000 2.556 247 F HA 0.301 4.828 4.527 -0.000 0.000 0.314 247 F C -0.801 175.036 175.800 0.063 0.000 1.106 247 F CA -0.574 57.446 58.000 0.032 0.000 0.911 247 F CB 1.834 40.844 39.000 0.017 0.000 1.190 247 F HN -0.099 nan 8.300 nan 0.000 0.448 248 T N 4.563 118.755 114.554 -0.604 0.000 2.906 248 T HA 0.661 5.011 4.350 -0.000 0.000 0.295 248 T C -1.221 173.119 174.700 -0.601 0.000 1.061 248 T CA -0.852 61.042 62.100 -0.342 0.000 1.000 248 T CB 1.868 70.751 68.868 0.024 0.000 1.103 248 T HN 0.698 nan 8.240 nan 0.000 0.486 249 M N 3.007 122.412 119.600 -0.325 0.000 2.149 249 M HA 0.530 5.010 4.480 -0.000 0.000 0.273 249 M C -2.479 173.587 176.300 -0.390 0.000 0.972 249 M CA -0.966 54.130 55.300 -0.339 0.000 0.984 249 M CB 0.843 33.197 32.600 -0.411 0.000 1.699 249 M HN 0.830 nan 8.290 nan 0.000 0.462 250 F N 3.752 123.583 119.950 -0.198 0.000 2.522 250 F HA 0.593 5.120 4.527 -0.000 0.000 0.324 250 F C 0.402 176.105 175.800 -0.163 0.000 1.077 250 F CA -0.715 57.181 58.000 -0.172 0.000 0.944 250 F CB 1.785 40.700 39.000 -0.142 0.000 1.175 250 F HN 0.375 nan 8.300 nan 0.000 0.468 251 M N 4.980 124.565 119.600 -0.025 0.000 2.188 251 M HA 0.222 4.702 4.480 -0.000 0.000 0.354 251 M C -2.312 173.890 176.300 -0.164 0.000 1.342 251 M CA -1.965 53.260 55.300 -0.125 0.000 1.117 251 M CB 0.100 32.560 32.600 -0.232 0.000 1.670 251 M HN 0.194 nan 8.290 nan 0.000 0.466 252 P HA 0.173 nan 4.420 nan 0.000 0.274 252 P C -0.464 176.557 177.300 -0.466 0.000 1.256 252 P CA -0.351 62.515 63.100 -0.389 0.000 0.795 252 P CB 0.434 31.709 31.700 -0.708 0.000 1.038 253 S N -0.295 115.161 115.700 -0.406 0.000 2.693 253 S HA 0.625 5.095 4.470 -0.000 0.000 0.276 253 S C -0.445 174.001 174.600 -0.258 0.000 1.192 253 S CA -0.465 57.455 58.200 -0.467 0.000 0.994 253 S CB 0.124 63.158 63.200 -0.277 0.000 1.012 253 S HN 0.201 nan 8.310 nan 0.000 0.550 254 F N 0.949 120.816 119.950 -0.138 0.000 2.480 254 F HA 0.594 5.121 4.527 0.000 0.000 0.329 254 F C 0.490 176.246 175.800 -0.073 0.000 1.091 254 F CA -1.070 56.864 58.000 -0.109 0.000 0.972 254 F CB 1.582 40.532 39.000 -0.084 0.000 1.150 254 F HN 0.846 nan 8.300 nan 0.000 0.467 255 Q N 0.690 120.575 119.800 0.141 0.000 2.587 255 Q HA 0.832 5.172 4.340 -0.000 0.000 0.293 255 Q C -0.398 175.630 176.000 0.047 0.000 1.083 255 Q CA -1.362 54.484 55.803 0.072 0.000 0.792 255 Q CB 2.000 30.760 28.738 0.037 0.000 1.484 255 Q HN 0.759 nan 8.270 nan 0.000 0.446 256 G N 0.859 109.678 108.800 0.032 0.000 2.572 256 G HA2 0.493 4.453 3.960 -0.000 0.000 0.261 256 G HA3 0.493 4.453 3.960 -0.000 0.000 0.261 256 G C -2.354 172.551 174.900 0.010 0.000 1.197 256 G CA -1.045 44.065 45.100 0.016 0.000 0.870 256 G HN 0.577 nan 8.290 nan 0.000 0.548 257 P HA 0.259 nan 4.420 nan 0.000 0.278 257 P C 0.331 177.634 177.300 0.005 0.000 1.266 257 P CA -0.462 62.639 63.100 0.003 0.000 0.807 257 P CB 1.623 33.321 31.700 -0.003 0.000 1.094 258 E N 0.092 120.296 120.200 0.006 0.000 2.150 258 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 258 E C 1.730 178.331 176.600 0.003 0.000 0.985 258 E CA 0.725 57.129 56.400 0.006 0.000 0.814 258 E CB -0.887 28.817 29.700 0.008 0.000 0.752 258 E HN 0.181 nan 8.360 nan 0.000 0.466 259 V N 0.610 120.524 119.914 0.001 0.000 2.490 259 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 259 V C 2.129 178.220 176.094 -0.005 0.000 1.061 259 V CA 1.254 63.553 62.300 -0.002 0.000 1.064 259 V CB -0.066 31.755 31.823 -0.003 0.000 0.670 259 V HN 0.040 nan 8.190 nan 0.000 0.461 260 V N 0.243 120.155 119.914 -0.003 0.000 2.407 260 V HA -0.053 4.067 4.120 -0.000 0.000 0.245 260 V C 2.799 178.892 176.094 -0.002 0.000 1.041 260 V CA 1.658 63.956 62.300 -0.004 0.000 1.040 260 V CB -0.937 30.887 31.823 0.001 0.000 0.671 260 V HN 0.617 nan 8.190 nan 0.000 0.455 261 A N 0.897 123.718 122.820 0.002 0.000 1.940 261 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 261 A C 2.545 180.130 177.584 0.002 0.000 1.176 261 A CA 2.291 54.331 52.037 0.005 0.000 0.631 261 A CB -0.798 18.206 19.000 0.007 0.000 0.814 261 A HN 0.693 nan 8.150 nan 0.000 0.446 262 S N 0.147 115.846 115.700 -0.002 0.000 2.419 262 S HA 0.199 4.669 4.470 -0.000 0.000 0.235 262 S C 1.274 175.867 174.600 -0.012 0.000 1.019 262 S CA 0.872 59.069 58.200 -0.005 0.000 0.982 262 S CB -0.835 62.362 63.200 -0.004 0.000 0.789 262 S HN 1.002 nan 8.310 nan 0.000 0.490 263 A N 1.621 124.428 122.820 -0.021 0.000 2.256 263 A HA 0.636 4.956 4.320 -0.000 0.000 0.276 263 A C 1.115 178.691 177.584 -0.013 0.000 1.259 263 A CA -0.108 51.904 52.037 -0.043 0.000 0.813 263 A CB -1.047 17.913 19.000 -0.066 0.000 1.200 263 A HN 0.664 nan 8.150 nan 0.000 0.506 264 G N -1.268 107.534 108.800 0.002 0.000 2.583 264 G HA2 0.301 4.261 3.960 -0.000 0.000 0.275 264 G HA3 0.301 4.261 3.960 -0.000 0.000 0.275 264 G C 0.310 175.239 174.900 0.048 0.000 1.342 264 G CA 0.499 45.631 45.100 0.054 0.000 1.030 264 G HN 0.795 nan 8.290 nan 0.000 0.520 265 D N -1.125 119.306 120.400 0.051 0.000 2.340 265 D HA -0.002 4.638 4.640 -0.000 0.000 0.220 265 D C 1.208 177.536 176.300 0.048 0.000 1.039 265 D CA 0.255 54.279 54.000 0.039 0.000 0.866 265 D CB 0.249 41.066 40.800 0.028 0.000 0.913 265 D HN 0.193 nan 8.370 nan 0.000 0.523 266 K N 0.351 120.800 120.400 0.081 0.000 2.393 266 K HA 0.144 4.464 4.320 -0.000 0.000 0.193 266 K C 1.595 178.260 176.600 0.108 0.000 1.026 266 K CA 0.116 56.457 56.287 0.090 0.000 1.064 266 K CB 1.142 33.711 32.500 0.116 0.000 0.833 266 K HN 0.158 nan 8.250 nan 0.000 0.521 267 V N 0.110 120.082 119.914 0.096 0.000 2.996 267 V HA 0.230 4.349 4.120 -0.000 0.000 0.235 267 V C 0.703 176.817 176.094 0.032 0.000 1.205 267 V CA 0.314 62.654 62.300 0.066 0.000 1.225 267 V CB 0.251 32.095 31.823 0.035 0.000 0.995 267 V HN 0.075 nan 8.190 nan 0.000 0.484 268 A N 1.999 124.835 122.820 0.027 0.000 2.269 268 A HA 0.382 4.702 4.320 -0.000 0.000 0.302 268 A C 0.195 177.790 177.584 0.019 0.000 1.266 268 A CA -0.222 51.826 52.037 0.019 0.000 0.894 268 A CB -0.199 18.809 19.000 0.014 0.000 1.147 268 A HN 0.355 nan 8.150 nan 0.000 0.537 269 N N 4.365 123.074 118.700 0.016 0.000 2.411 269 N HA -0.001 4.739 4.740 -0.000 0.000 0.265 269 N C -1.414 174.104 175.510 0.013 0.000 1.266 269 N CA -1.019 52.039 53.050 0.013 0.000 0.889 269 N CB 1.089 39.583 38.487 0.012 0.000 1.069 269 N HN 0.363 nan 8.380 nan 0.000 0.476 270 P HA -0.078 nan 4.420 nan 0.000 0.222 270 P C 0.609 177.915 177.300 0.010 0.000 1.147 270 P CA 0.900 64.006 63.100 0.011 0.000 0.790 270 P CB 0.209 31.914 31.700 0.009 0.000 0.780 271 A N 0.717 123.542 122.820 0.010 0.000 1.984 271 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 271 A C 1.593 179.183 177.584 0.011 0.000 1.173 271 A CA 1.441 53.483 52.037 0.009 0.000 0.673 271 A CB -0.717 18.288 19.000 0.009 0.000 0.830 271 A HN 0.373 nan 8.150 nan 0.000 0.453 272 N N -3.268 115.441 118.700 0.015 0.000 2.082 272 N HA 0.086 4.826 4.740 -0.000 0.000 0.228 272 N C 0.189 175.712 175.510 0.022 0.000 1.341 272 N CA 0.394 53.456 53.050 0.020 0.000 0.873 272 N CB 0.053 38.556 38.487 0.026 0.000 1.137 272 N HN 0.275 nan 8.380 nan 0.000 0.505 273 K N -0.495 119.917 120.400 0.019 0.000 3.407 273 K HA -0.184 4.136 4.320 -0.000 0.000 0.312 273 K C -0.480 176.132 176.600 0.020 0.000 1.302 273 K CA 0.915 57.212 56.287 0.018 0.000 0.931 273 K CB -1.562 30.948 32.500 0.016 0.000 1.257 273 K HN 0.397 nan 8.250 nan 0.000 0.454 274 M N 0.774 120.389 119.600 0.025 0.000 2.227 274 M HA 0.147 4.627 4.480 -0.000 0.000 0.316 274 M C 0.696 177.011 176.300 0.025 0.000 1.144 274 M CA -0.464 54.854 55.300 0.029 0.000 1.121 274 M CB 0.921 33.546 32.600 0.041 0.000 1.440 274 M HN -0.178 nan 8.290 nan 0.000 0.473 275 V N 3.011 122.943 119.914 0.030 0.000 2.485 275 V HA 0.039 4.159 4.120 -0.000 0.000 0.287 275 V C 0.273 176.374 176.094 0.013 0.000 1.022 275 V CA 0.014 62.330 62.300 0.026 0.000 1.067 275 V CB -0.542 31.306 31.823 0.043 0.000 0.967 275 V HN 0.554 nan 8.190 nan 0.000 0.479 276 I N 6.569 127.141 120.570 0.004 0.000 2.581 276 I HA 0.231 4.401 4.170 -0.000 0.000 0.285 276 I C 0.166 176.259 176.117 -0.040 0.000 1.129 276 I CA 0.418 61.708 61.300 -0.017 0.000 1.397 276 I CB 0.473 38.469 38.000 -0.006 0.000 1.399 276 I HN 0.588 nan 8.210 nan 0.000 0.537 277 V N 2.945 122.805 119.914 -0.091 0.000 3.040 277 V HA 0.646 4.766 4.120 -0.000 0.000 0.312 277 V C -0.512 175.464 176.094 -0.196 0.000 1.115 277 V CA -0.955 61.257 62.300 -0.146 0.000 0.998 277 V CB 1.854 33.553 31.823 -0.207 0.000 1.042 277 V HN 0.777 nan 8.190 nan 0.000 0.433 278 N N 1.963 120.560 118.700 -0.173 0.000 2.620 278 N HA 0.421 5.161 4.740 -0.000 0.000 0.307 278 N C 0.783 176.173 175.510 -0.201 0.000 1.316 278 N CA -0.542 52.419 53.050 -0.147 0.000 0.931 278 N CB 0.189 38.636 38.487 -0.067 0.000 1.116 278 N HN 0.610 nan 8.380 nan 0.000 0.573 279 R N -1.179 119.273 120.500 -0.081 0.000 2.127 279 R HA 0.000 4.340 4.340 -0.000 0.000 0.238 279 R C 0.759 177.142 176.300 0.138 0.000 1.134 279 R CA 1.491 57.590 56.100 -0.001 0.000 0.975 279 R CB -0.639 29.688 30.300 0.044 0.000 0.865 279 R HN 0.540 nan 8.270 nan 0.000 0.447 280 c N -0.219 118.471 118.600 0.150 0.000 2.625 280 c HA 0.241 4.811 4.570 -0.000 0.000 0.285 280 c C -0.099 174.256 174.090 0.441 0.000 1.279 280 c CA -0.694 55.810 56.329 0.292 0.000 1.698 280 c CB -1.484 41.164 42.510 0.230 0.000 1.821 280 c HN 0.533 nan 8.230 nan 0.000 0.600 281 F N 0.782 120.824 119.950 0.153 0.000 3.093 281 F HA -0.204 4.323 4.527 -0.000 0.000 0.287 281 F C 0.568 176.482 175.800 0.191 0.000 0.882 281 F CA 1.239 59.339 58.000 0.165 0.000 1.063 281 F CB -1.548 37.556 39.000 0.173 0.000 1.097 281 F HN 0.499 nan 8.300 nan 0.000 0.604 282 Q N 0.524 120.388 119.800 0.107 0.000 2.342 282 Q HA 0.421 4.761 4.340 -0.000 0.000 0.267 282 Q C -0.091 175.802 176.000 -0.178 0.000 1.038 282 Q CA -1.061 54.623 55.803 -0.198 0.000 0.832 282 Q CB 1.511 30.132 28.738 -0.194 0.000 1.323 282 Q HN 0.235 nan 8.270 nan 0.000 0.448 283 N N 4.032 122.600 118.700 -0.221 0.000 2.468 283 N HA 0.063 4.803 4.740 -0.000 0.000 0.265 283 N C -1.951 173.506 175.510 -0.088 0.000 1.199 283 N CA -1.031 51.960 53.050 -0.098 0.000 0.928 283 N CB 1.088 39.562 38.487 -0.022 0.000 1.059 283 N HN 0.413 nan 8.380 nan 0.000 0.467 284 P HA -0.146 nan 4.420 nan 0.000 0.216 284 P C 1.025 178.276 177.300 -0.082 0.000 1.150 284 P CA 1.380 64.442 63.100 -0.064 0.000 0.837 284 P CB 0.084 31.753 31.700 -0.052 0.000 0.786 285 T N -4.611 109.887 114.554 -0.093 0.000 2.983 285 T HA -0.021 4.329 4.350 -0.000 0.000 0.250 285 T C 0.460 174.948 174.700 -0.353 0.000 1.037 285 T CA 0.340 62.306 62.100 -0.223 0.000 1.142 285 T CB -0.801 67.901 68.868 -0.278 0.000 0.876 285 T HN -0.082 nan 8.240 nan 0.000 0.455 286 Y N 1.988 122.262 120.300 -0.045 0.000 2.595 286 Y HA 0.502 5.052 4.550 -0.000 0.000 0.336 286 Y C 1.155 177.005 175.900 -0.084 0.000 0.996 286 Y CA -1.148 56.930 58.100 -0.038 0.000 1.260 286 Y CB 1.228 39.683 38.460 -0.007 0.000 1.108 286 Y HN -0.065 nan 8.280 nan 0.000 0.509 287 K N 1.457 121.870 120.400 0.022 0.000 2.504 287 K HA -0.059 4.261 4.320 -0.000 0.000 0.195 287 K C 0.759 177.337 176.600 -0.036 0.000 1.036 287 K CA 0.444 56.701 56.287 -0.050 0.000 0.984 287 K CB 0.038 32.542 32.500 0.005 0.000 0.788 287 K HN 0.711 nan 8.250 nan 0.000 0.488 288 N N 0.464 119.212 118.700 0.080 0.000 2.270 288 N HA 0.014 4.754 4.740 -0.000 0.000 0.198 288 N C 0.146 175.800 175.510 0.240 0.000 1.117 288 N CA -0.047 53.147 53.050 0.241 0.000 0.845 288 N CB 0.088 38.603 38.487 0.046 0.000 0.980 288 N HN 0.070 nan 8.380 nan 0.000 0.486 289 I N 0.790 121.344 120.570 -0.028 0.000 2.378 289 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 289 I C -0.921 175.038 176.117 -0.265 0.000 0.992 289 I CA -0.822 60.458 61.300 -0.033 0.000 1.154 289 I CB 0.864 38.856 38.000 -0.015 0.000 1.315 289 I HN -0.233 nan 8.210 nan 0.000 0.448 290 F N 2.829 122.823 119.950 0.074 0.000 2.577 290 F HA 0.704 5.231 4.527 -0.000 0.000 0.318 290 F C 0.623 176.475 175.800 0.087 0.000 1.065 290 F CA -0.784 57.277 58.000 0.101 0.000 0.929 290 F CB 2.131 41.195 39.000 0.106 0.000 1.237 290 F HN 0.346 nan 8.300 nan 0.000 0.468 291 G N 0.975 109.961 108.800 0.310 0.000 2.416 291 G HA2 0.621 4.581 3.960 -0.000 0.000 0.324 291 G HA3 0.621 4.581 3.960 -0.000 0.000 0.324 291 G C -1.946 173.130 174.900 0.294 0.000 1.194 291 G CA -0.724 44.525 45.100 0.248 0.000 0.922 291 G HN 0.489 nan 8.290 nan 0.000 0.467 292 V N 1.858 121.872 119.914 0.166 0.000 2.577 292 V HA 0.912 5.032 4.120 -0.000 0.000 0.303 292 V C 0.741 176.867 176.094 0.053 0.000 1.042 292 V CA 0.675 63.023 62.300 0.080 0.000 0.872 292 V CB 0.763 32.600 31.823 0.022 0.000 0.998 292 V HN 1.832 nan 8.190 nan 0.000 0.423 293 G N 3.520 112.340 108.800 0.034 0.000 2.472 293 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.205 293 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.205 293 G C 0.418 175.346 174.900 0.046 0.000 1.270 293 G CA -0.220 44.892 45.100 0.019 0.000 0.974 293 G HN 0.868 nan 8.290 nan 0.000 0.542 294 V N 0.246 120.161 119.914 0.002 0.000 2.720 294 V HA -0.108 4.012 4.120 -0.000 0.000 0.256 294 V C 2.920 179.024 176.094 0.017 0.000 1.082 294 V CA 2.144 64.442 62.300 -0.002 0.000 1.101 294 V CB -0.309 31.438 31.823 -0.127 0.000 0.693 294 V HN 0.981 nan 8.190 nan 0.000 0.479 295 V N 0.935 120.856 119.914 0.011 0.000 3.078 295 V HA -0.068 4.052 4.120 -0.000 0.000 0.265 295 V C 1.415 177.547 176.094 0.064 0.000 1.122 295 V CA 1.467 63.781 62.300 0.023 0.000 1.141 295 V CB -0.685 31.145 31.823 0.012 0.000 0.735 295 V HN 0.809 nan 8.190 nan 0.000 0.498 296 T N 0.099 114.717 114.554 0.108 0.000 2.897 296 T HA 0.599 4.949 4.350 -0.000 0.000 0.294 296 T C 0.002 174.758 174.700 0.093 0.000 1.004 296 T CA -0.054 62.126 62.100 0.133 0.000 1.106 296 T CB 1.483 70.517 68.868 0.276 0.000 0.949 296 T HN 0.443 nan 8.240 nan 0.000 0.520 297 A N 4.091 126.938 122.820 0.044 0.000 2.350 297 A HA 0.602 4.922 4.320 -0.000 0.000 0.293 297 A C 0.025 177.608 177.584 -0.001 0.000 1.231 297 A CA -0.749 51.303 52.037 0.024 0.000 0.883 297 A CB -0.608 18.396 19.000 0.006 0.000 1.133 297 A HN 0.893 nan 8.150 nan 0.000 0.533 298 I N 4.287 124.875 120.570 0.030 0.000 2.466 298 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 298 I C -2.243 173.893 176.117 0.031 0.000 1.026 298 I CA -2.162 59.152 61.300 0.023 0.000 1.078 298 I CB 2.274 40.318 38.000 0.072 0.000 1.249 298 I HN 0.431 nan 8.210 nan 0.000 0.429 299 P HA 0.165 nan 4.420 nan 0.000 0.266 299 P C -2.469 174.853 177.300 0.036 0.000 1.195 299 P CA -0.806 62.307 63.100 0.022 0.000 0.768 299 P CB -0.350 31.356 31.700 0.011 0.000 0.838 300 P HA 0.091 nan 4.420 nan 0.000 0.266 300 P C 0.873 178.200 177.300 0.046 0.000 1.195 300 P CA 0.193 63.325 63.100 0.052 0.000 0.768 300 P CB 0.331 32.062 31.700 0.050 0.000 0.838 301 I N 0.409 121.010 120.570 0.052 0.000 2.493 301 I HA -0.115 4.055 4.170 -0.000 0.000 0.254 301 I C 1.115 177.258 176.117 0.043 0.000 1.160 301 I CA 1.486 62.808 61.300 0.037 0.000 1.445 301 I CB 0.027 38.038 38.000 0.017 0.000 1.086 301 I HN 0.440 nan 8.210 nan 0.000 0.433 302 E N 0.257 120.495 120.200 0.064 0.000 2.321 302 E HA 0.189 4.539 4.350 -0.000 0.000 0.281 302 E C -0.895 175.736 176.600 0.051 0.000 0.910 302 E CA -0.729 55.713 56.400 0.070 0.000 0.770 302 E CB 1.532 31.309 29.700 0.129 0.000 1.225 302 E HN -0.192 nan 8.360 nan 0.000 0.417 303 K N 2.789 123.208 120.400 0.032 0.000 2.220 303 K HA 0.148 4.468 4.320 -0.000 0.000 0.283 303 K C -0.597 176.002 176.600 -0.001 0.000 1.098 303 K CA -0.050 56.246 56.287 0.016 0.000 0.928 303 K CB 0.156 32.664 32.500 0.014 0.000 1.214 303 K HN 0.445 nan 8.250 nan 0.000 0.442 304 T N 2.065 116.602 114.554 -0.027 0.000 2.909 304 T HA 0.291 4.641 4.350 -0.000 0.000 0.289 304 T C -1.594 173.077 174.700 -0.049 0.000 1.005 304 T CA -1.852 60.203 62.100 -0.075 0.000 1.084 304 T CB 1.265 70.021 68.868 -0.187 0.000 0.975 304 T HN 0.257 nan 8.240 nan 0.000 0.509 305 P HA -0.013 nan 4.420 nan 0.000 0.216 305 P C 0.254 177.544 177.300 -0.016 0.000 1.157 305 P CA 0.905 63.993 63.100 -0.020 0.000 0.880 305 P CB 0.001 31.694 31.700 -0.012 0.000 0.791 306 I N 0.778 121.331 120.570 -0.029 0.000 2.304 306 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 306 I C -2.284 173.820 176.117 -0.022 0.000 1.018 306 I CA -3.643 57.648 61.300 -0.015 0.000 1.260 306 I CB 0.304 38.301 38.000 -0.005 0.000 1.390 306 I HN -0.126 nan 8.210 nan 0.000 0.475 307 P HA 0.049 nan 4.420 nan 0.000 0.261 307 P C -0.118 177.197 177.300 0.024 0.000 1.183 307 P CA 0.376 63.477 63.100 0.001 0.000 0.761 307 P CB 0.240 31.940 31.700 0.000 0.000 0.785 308 T N 0.252 114.831 114.554 0.043 0.000 2.896 308 T HA 0.774 5.124 4.350 -0.000 0.000 0.297 308 T C -0.038 174.731 174.700 0.116 0.000 1.108 308 T CA -0.838 61.340 62.100 0.130 0.000 1.004 308 T CB 2.090 71.074 68.868 0.193 0.000 1.159 308 T HN 0.379 nan 8.240 nan 0.000 0.499 309 G N -0.494 108.392 108.800 0.143 0.000 2.735 309 G HA2 0.643 4.603 3.960 -0.000 0.000 0.301 309 G HA3 0.643 4.603 3.960 -0.000 0.000 0.301 309 G C -1.045 173.951 174.900 0.161 0.000 1.279 309 G CA -0.784 44.382 45.100 0.111 0.000 1.019 309 G HN 0.976 nan 8.290 nan 0.000 0.497 310 V N 1.956 121.944 119.914 0.123 0.000 2.465 310 V HA 0.539 4.659 4.120 -0.000 0.000 0.279 310 V C -1.843 174.327 176.094 0.127 0.000 1.045 310 V CA -1.926 60.448 62.300 0.124 0.000 0.938 310 V CB 1.532 33.410 31.823 0.092 0.000 0.986 310 V HN 0.602 nan 8.190 nan 0.000 0.467 311 P HA 0.327 nan 4.420 nan 0.000 0.274 311 P C -1.548 175.805 177.300 0.088 0.000 1.231 311 P CA -0.531 62.638 63.100 0.115 0.000 0.790 311 P CB 0.692 32.452 31.700 0.101 0.000 0.951 312 K N 0.938 121.390 120.400 0.086 0.000 2.473 312 K HA 0.335 4.655 4.320 -0.000 0.000 0.246 312 K C 0.406 177.014 176.600 0.013 0.000 1.011 312 K CA -0.379 55.941 56.287 0.055 0.000 0.984 312 K CB 0.445 32.986 32.500 0.069 0.000 1.250 312 K HN 0.454 nan 8.250 nan 0.000 0.454 313 T N -1.726 112.820 114.554 -0.013 0.000 2.816 313 T HA 0.268 4.618 4.350 -0.000 0.000 0.282 313 T C 1.562 176.228 174.700 -0.057 0.000 0.993 313 T CA -0.327 61.744 62.100 -0.048 0.000 0.994 313 T CB 1.446 70.272 68.868 -0.069 0.000 1.025 313 T HN 0.448 nan 8.240 nan 0.000 0.529 314 G N 0.378 109.126 108.800 -0.086 0.000 2.476 314 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 314 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 314 G C 1.435 176.323 174.900 -0.020 0.000 1.164 314 G CA 1.265 46.319 45.100 -0.077 0.000 0.768 314 G HN 0.828 nan 8.290 nan 0.000 0.560 315 M N -0.274 119.311 119.600 -0.026 0.000 2.132 315 M HA 0.090 4.570 4.480 -0.000 0.000 0.263 315 M C 2.588 178.888 176.300 -0.000 0.000 1.065 315 M CA 1.427 56.733 55.300 0.010 0.000 1.122 315 M CB -0.151 32.453 32.600 0.006 0.000 1.365 315 M HN 0.246 nan 8.290 nan 0.000 0.411 316 M N -0.000 119.586 119.600 -0.023 0.000 2.080 316 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 316 M C 2.024 178.278 176.300 -0.076 0.000 1.068 316 M CA 1.823 57.100 55.300 -0.039 0.000 1.109 316 M CB -0.567 32.018 32.600 -0.025 0.000 1.342 316 M HN 0.338 nan 8.290 nan 0.000 0.405 317 I N -0.172 120.364 120.570 -0.057 0.000 2.226 317 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 317 I C 2.151 178.236 176.117 -0.054 0.000 1.100 317 I CA 1.379 62.638 61.300 -0.068 0.000 1.374 317 I CB -0.470 37.510 38.000 -0.033 0.000 1.057 317 I HN 0.335 nan 8.210 nan 0.000 0.413 318 E N 0.474 120.675 120.200 0.001 0.000 2.110 318 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 318 E C 2.227 178.820 176.600 -0.010 0.000 0.988 318 E CA 1.104 57.522 56.400 0.030 0.000 0.804 318 E CB -0.064 29.702 29.700 0.110 0.000 0.745 318 E HN 0.573 nan 8.360 nan 0.000 0.458 319 Q N 0.045 119.826 119.800 -0.031 0.000 2.079 319 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 319 Q C 2.229 178.162 176.000 -0.112 0.000 0.974 319 Q CA 1.182 56.958 55.803 -0.046 0.000 0.840 319 Q CB -0.101 28.620 28.738 -0.028 0.000 0.898 319 Q HN 0.319 nan 8.270 nan 0.000 0.430 320 M N 0.421 119.883 119.600 -0.231 0.000 2.082 320 M HA -0.233 4.247 4.480 -0.000 0.000 0.258 320 M C 2.398 178.582 176.300 -0.194 0.000 1.069 320 M CA 1.720 56.781 55.300 -0.398 0.000 1.102 320 M CB -0.460 31.787 32.600 -0.588 0.000 1.336 320 M HN 0.267 nan 8.290 nan 0.000 0.404 321 A N -0.178 122.567 122.820 -0.125 0.000 1.933 321 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 321 A C 2.144 179.686 177.584 -0.070 0.000 1.175 321 A CA 1.538 53.524 52.037 -0.084 0.000 0.628 321 A CB -0.562 18.400 19.000 -0.064 0.000 0.814 321 A HN 0.466 nan 8.150 nan 0.000 0.444 322 M N -0.844 118.731 119.600 -0.043 0.000 2.077 322 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 322 M C 2.627 178.964 176.300 0.062 0.000 1.070 322 M CA 1.368 56.673 55.300 0.008 0.000 1.125 322 M CB -0.417 32.196 32.600 0.021 0.000 1.339 322 M HN 0.483 nan 8.290 nan 0.000 0.409 323 A N -0.075 122.763 122.820 0.031 0.000 1.873 323 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 323 A C 2.180 179.818 177.584 0.089 0.000 1.193 323 A CA 2.028 54.121 52.037 0.094 0.000 0.629 323 A CB -1.210 17.860 19.000 0.116 0.000 0.826 323 A HN 0.311 nan 8.150 nan 0.000 0.447 324 V N -0.223 119.695 119.914 0.006 0.000 2.287 324 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 324 V C 3.067 178.992 176.094 -0.281 0.000 1.053 324 V CA 2.115 64.339 62.300 -0.127 0.000 1.027 324 V CB -1.221 30.552 31.823 -0.085 0.000 0.646 324 V HN 0.653 nan 8.190 nan 0.000 0.447 325 A N -1.437 121.263 122.820 -0.200 0.000 1.933 325 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 325 A C 2.114 179.540 177.584 -0.263 0.000 1.175 325 A CA 1.703 53.588 52.037 -0.254 0.000 0.628 325 A CB -0.738 18.122 19.000 -0.233 0.000 0.814 325 A HN 0.677 nan 8.150 nan 0.000 0.444 326 H N -0.210 118.777 119.070 -0.139 0.000 2.389 326 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 326 H C 1.932 177.255 175.328 -0.008 0.000 1.081 326 H CA 1.592 57.593 56.048 -0.079 0.000 1.345 326 H CB -0.229 29.450 29.762 -0.137 0.000 1.393 326 H HN 0.661 nan 8.280 nan 0.000 0.520 327 N N 0.342 119.099 118.700 0.095 0.000 2.120 327 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 327 N C 1.994 177.448 175.510 -0.093 0.000 1.024 327 N CA 0.794 53.886 53.050 0.070 0.000 0.852 327 N CB 0.104 38.668 38.487 0.128 0.000 1.003 327 N HN 0.207 nan 8.380 nan 0.000 0.424 328 I N 0.613 120.955 120.570 -0.381 0.000 2.142 328 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 328 I C 2.132 178.025 176.117 -0.374 0.000 1.078 328 I CA 0.943 61.914 61.300 -0.549 0.000 1.343 328 I CB -0.363 37.191 38.000 -0.744 0.000 1.046 328 I HN -0.011 nan 8.210 nan 0.000 0.405 329 V N 1.321 121.086 119.914 -0.248 0.000 2.343 329 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 329 V C 2.135 178.204 176.094 -0.043 0.000 1.051 329 V CA 2.012 64.226 62.300 -0.144 0.000 1.036 329 V CB -0.891 30.849 31.823 -0.140 0.000 0.654 329 V HN 0.436 nan 8.190 nan 0.000 0.451 330 N N 0.167 118.877 118.700 0.017 0.000 2.166 330 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 330 N C 1.611 177.165 175.510 0.073 0.000 1.019 330 N CA 1.710 54.806 53.050 0.075 0.000 0.856 330 N CB -0.435 38.133 38.487 0.135 0.000 0.993 330 N HN 0.639 nan 8.380 nan 0.000 0.426 331 D N 0.214 120.657 120.400 0.071 0.000 2.097 331 D HA 0.012 4.652 4.640 -0.000 0.000 0.197 331 D C 1.894 178.281 176.300 0.146 0.000 0.984 331 D CA 0.679 54.761 54.000 0.137 0.000 0.826 331 D CB -0.027 40.913 40.800 0.233 0.000 0.973 331 D HN 0.174 nan 8.370 nan 0.000 0.460 332 I N 0.057 120.682 120.570 0.092 0.000 2.264 332 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 332 I C 1.919 178.089 176.117 0.089 0.000 1.111 332 I CA 1.159 62.528 61.300 0.115 0.000 1.382 332 I CB -0.190 37.839 38.000 0.048 0.000 1.060 332 I HN 0.026 nan 8.210 nan 0.000 0.418 333 R N 0.568 121.106 120.500 0.064 0.000 2.334 333 R HA 0.121 4.461 4.340 -0.000 0.000 0.216 333 R C 0.116 176.453 176.300 0.062 0.000 0.905 333 R CA -0.035 56.099 56.100 0.057 0.000 1.064 333 R CB -0.040 30.287 30.300 0.045 0.000 1.046 333 R HN 0.258 nan 8.270 nan 0.000 0.508 334 N N 1.737 120.482 118.700 0.074 0.000 2.735 334 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 334 N C -0.972 174.574 175.510 0.059 0.000 1.083 334 N CA 0.742 53.834 53.050 0.069 0.000 0.703 334 N CB -1.164 37.359 38.487 0.060 0.000 1.005 334 N HN 0.315 nan 8.380 nan 0.000 0.550 335 N N 1.322 120.060 118.700 0.064 0.000 2.419 335 N HA 0.229 4.969 4.740 -0.000 0.000 0.264 335 N C -1.334 174.209 175.510 0.055 0.000 1.031 335 N CA -1.656 51.429 53.050 0.059 0.000 0.951 335 N CB 1.051 39.581 38.487 0.072 0.000 1.101 335 N HN 0.036 nan 8.380 nan 0.000 0.488 336 P HA 0.082 nan 4.420 nan 0.000 0.241 336 P C -0.664 176.633 177.300 -0.005 0.000 1.191 336 P CA 0.178 63.293 63.100 0.025 0.000 0.771 336 P CB 0.300 32.010 31.700 0.016 0.000 0.929 337 D N 1.599 121.983 120.400 -0.027 0.000 2.425 337 D HA 0.140 4.780 4.640 -0.000 0.000 0.247 337 D C 0.529 176.733 176.300 -0.160 0.000 1.147 337 D CA 0.798 54.719 54.000 -0.132 0.000 0.879 337 D CB 0.730 41.439 40.800 -0.151 0.000 1.179 337 D HN 0.017 nan 8.370 nan 0.000 0.456 338 K N 2.261 122.501 120.400 -0.266 0.000 2.422 338 K HA 0.358 4.678 4.320 -0.000 0.000 0.251 338 K C -1.012 175.409 176.600 -0.299 0.000 0.933 338 K CA -0.773 55.428 56.287 -0.143 0.000 0.798 338 K CB 1.895 34.395 32.500 -0.001 0.000 1.238 338 K HN 0.345 nan 8.250 nan 0.000 0.428 339 Y N -0.027 120.322 120.300 0.082 0.000 2.393 339 Y HA 0.482 5.032 4.550 -0.000 0.000 0.341 339 Y C 0.207 176.177 175.900 0.116 0.000 0.988 339 Y CA -0.841 57.300 58.100 0.068 0.000 1.078 339 Y CB 2.139 40.613 38.460 0.024 0.000 1.203 339 Y HN 0.617 nan 8.280 nan 0.000 0.453 340 A N 5.130 128.103 122.820 0.255 0.000 2.312 340 A HA 0.728 5.048 4.320 -0.000 0.000 0.326 340 A C -2.743 174.975 177.584 0.224 0.000 1.172 340 A CA -2.016 50.169 52.037 0.246 0.000 0.821 340 A CB 0.496 19.611 19.000 0.192 0.000 1.166 340 A HN 0.429 nan 8.150 nan 0.000 0.493 341 P HA 0.212 nan 4.420 nan 0.000 0.275 341 P C 0.325 177.702 177.300 0.128 0.000 1.228 341 P CA -0.325 62.841 63.100 0.110 0.000 0.786 341 P CB 1.095 32.783 31.700 -0.019 0.000 0.927 342 R N 3.051 123.612 120.500 0.101 0.000 2.092 342 R HA -0.052 4.288 4.340 -0.000 0.000 0.231 342 R C 0.623 176.955 176.300 0.053 0.000 1.119 342 R CA 1.054 57.204 56.100 0.085 0.000 0.970 342 R CB -1.244 29.073 30.300 0.029 0.000 0.864 342 R HN 0.317 nan 8.270 nan 0.000 0.440 343 L N 1.244 122.488 121.223 0.035 0.000 3.608 343 L HA -0.201 4.139 4.340 -0.000 0.000 0.422 343 L C -0.461 176.400 176.870 -0.016 0.000 1.260 343 L CA 1.290 56.145 54.840 0.024 0.000 0.889 343 L CB -2.798 39.308 42.059 0.078 0.000 1.821 343 L HN 0.494 nan 8.230 nan 0.000 0.884 344 S N -1.664 114.014 115.700 -0.036 0.000 2.693 344 S HA 0.934 5.404 4.470 -0.000 0.000 0.276 344 S C 0.201 174.769 174.600 -0.054 0.000 1.192 344 S CA -0.134 58.013 58.200 -0.088 0.000 0.994 344 S CB 2.580 65.726 63.200 -0.089 0.000 1.012 344 S HN 1.303 nan 8.310 nan 0.000 0.550 345 A N 0.789 123.552 122.820 -0.096 0.000 2.488 345 A HA 0.708 5.028 4.320 -0.000 0.000 0.298 345 A C -1.039 176.565 177.584 0.033 0.000 1.044 345 A CA -0.800 51.213 52.037 -0.040 0.000 0.693 345 A CB 0.833 19.785 19.000 -0.081 0.000 1.272 345 A HN 0.809 nan 8.150 nan 0.000 0.402 346 I N 1.705 122.303 120.570 0.047 0.000 2.330 346 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 346 I C -0.703 175.298 176.117 -0.193 0.000 1.001 346 I CA -0.281 60.980 61.300 -0.064 0.000 1.193 346 I CB 1.315 39.279 38.000 -0.060 0.000 1.345 346 I HN 0.629 nan 8.210 nan 0.000 0.461 347 C N 6.945 126.090 119.300 -0.258 0.000 2.455 347 C HA 0.641 5.101 4.460 -0.000 0.000 0.320 347 C C -0.031 174.835 174.990 -0.207 0.000 1.226 347 C CA -0.915 57.986 59.018 -0.195 0.000 1.569 347 C CB 0.716 28.360 27.740 -0.161 0.000 2.200 347 C HN 0.550 nan 8.230 nan 0.000 0.491 348 I N 2.593 123.082 120.570 -0.135 0.000 2.389 348 I HA 0.534 4.704 4.170 -0.000 0.000 0.288 348 I C 0.346 176.414 176.117 -0.080 0.000 0.999 348 I CA -0.142 61.094 61.300 -0.106 0.000 1.129 348 I CB 1.398 39.380 38.000 -0.031 0.000 1.288 348 I HN 0.799 nan 8.210 nan 0.000 0.444 349 A N 4.754 127.500 122.820 -0.123 0.000 2.253 349 A HA 0.363 4.683 4.320 -0.000 0.000 0.316 349 A C -0.534 176.744 177.584 -0.510 0.000 1.327 349 A CA -0.474 51.484 52.037 -0.131 0.000 0.917 349 A CB 0.223 19.288 19.000 0.108 0.000 1.162 349 A HN 0.640 nan 8.150 nan 0.000 0.535 350 D N 1.857 122.138 120.400 -0.199 0.000 2.351 350 D HA 0.359 4.999 4.640 -0.000 0.000 0.251 350 D C -0.096 176.185 176.300 -0.032 0.000 1.137 350 D CA 0.009 53.920 54.000 -0.149 0.000 0.879 350 D CB 0.291 41.209 40.800 0.197 0.000 1.181 350 D HN 0.353 nan 8.370 nan 0.000 0.448 351 F N 1.129 121.122 119.950 0.071 0.000 2.706 351 F HA 0.356 4.883 4.527 0.000 0.000 0.308 351 F C 1.763 177.535 175.800 -0.048 0.000 1.095 351 F CA 0.083 58.113 58.000 0.049 0.000 1.244 351 F CB 0.425 39.455 39.000 0.050 0.000 1.063 351 F HN 0.587 nan 8.300 nan 0.000 0.582 352 G N 1.254 110.010 108.800 -0.073 0.000 2.650 352 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 352 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 352 G C 0.836 175.070 174.900 -1.110 0.000 2.403 352 G CA 0.145 44.854 45.100 -0.652 0.000 1.493 352 G HN 0.336 nan 8.290 nan 0.000 0.459 353 E N 0.953 120.563 120.200 -0.983 0.000 2.562 353 E HA 0.360 4.710 4.350 -0.000 0.000 0.214 353 E C 0.044 176.329 176.600 -0.526 0.000 0.979 353 E CA 0.513 56.377 56.400 -0.894 0.000 1.002 353 E CB 0.547 29.988 29.700 -0.431 0.000 1.048 353 E HN 0.558 nan 8.360 nan 0.000 0.488 354 D N 0.611 120.830 120.400 -0.301 0.000 2.636 354 D HA 0.684 5.324 4.640 -0.000 0.000 0.275 354 D C -0.844 175.351 176.300 -0.176 0.000 1.130 354 D CA -1.008 52.910 54.000 -0.136 0.000 1.031 354 D CB 1.392 42.186 40.800 -0.009 0.000 1.451 354 D HN 0.081 nan 8.370 nan 0.000 0.505 355 A N -1.124 121.510 122.820 -0.310 0.000 2.608 355 A HA 0.708 5.028 4.320 -0.000 0.000 0.292 355 A C -0.523 176.691 177.584 -0.617 0.000 1.066 355 A CA -0.462 51.132 52.037 -0.738 0.000 0.676 355 A CB 1.339 20.031 19.000 -0.514 0.000 1.277 355 A HN 0.822 nan 8.150 nan 0.000 0.413 356 G N -0.365 107.985 108.800 -0.749 0.000 2.332 356 G HA2 0.550 4.510 3.960 -0.000 0.000 0.310 356 G HA3 0.550 4.510 3.960 -0.000 0.000 0.310 356 G C -0.998 173.614 174.900 -0.479 0.000 1.123 356 G CA -0.294 44.572 45.100 -0.390 0.000 0.873 356 G HN 0.916 nan 8.290 nan 0.000 0.460 357 F N 3.177 122.709 119.950 -0.697 0.000 2.388 357 F HA 0.681 5.208 4.527 -0.000 0.000 0.358 357 F C -1.198 174.249 175.800 -0.588 0.000 1.122 357 F CA -1.316 56.390 58.000 -0.490 0.000 1.056 357 F CB 0.850 39.685 39.000 -0.275 0.000 1.155 357 F HN 0.287 nan 8.300 nan 0.000 0.461 358 F N 7.164 126.860 119.950 -0.424 0.000 2.482 358 F HA 0.452 4.979 4.527 -0.000 0.000 0.331 358 F C -0.928 174.666 175.800 -0.343 0.000 1.115 358 F CA -1.058 56.794 58.000 -0.247 0.000 0.955 358 F CB 1.609 40.496 39.000 -0.189 0.000 1.136 358 F HN 0.359 nan 8.300 nan 0.000 0.452 359 F N 2.653 122.555 119.950 -0.079 0.000 2.539 359 F HA 0.829 5.356 4.527 -0.000 0.000 0.318 359 F C -1.207 174.608 175.800 0.026 0.000 1.135 359 F CA -0.654 57.305 58.000 -0.069 0.000 0.915 359 F CB 1.188 40.216 39.000 0.047 0.000 1.176 359 F HN 0.577 nan 8.300 nan 0.000 0.440 360 A N 4.446 126.852 122.820 -0.690 0.000 2.374 360 A HA 0.558 4.878 4.320 -0.000 0.000 0.305 360 A C -1.936 175.201 177.584 -0.746 0.000 1.053 360 A CA -0.520 51.169 52.037 -0.581 0.000 0.726 360 A CB 1.370 20.218 19.000 -0.253 0.000 1.229 360 A HN 0.683 nan 8.150 nan 0.000 0.431 361 D N 3.255 123.298 120.400 -0.595 0.000 2.358 361 D HA 0.551 5.191 4.640 -0.000 0.000 0.253 361 D C -2.771 173.427 176.300 -0.169 0.000 1.288 361 D CA -1.314 52.450 54.000 -0.394 0.000 0.950 361 D CB 2.159 42.738 40.800 -0.369 0.000 1.197 361 D HN 0.246 nan 8.370 nan 0.000 0.550 362 P HA 0.151 nan 4.420 nan 0.000 0.284 362 P C 0.999 178.226 177.300 -0.122 0.000 1.292 362 P CA -0.646 62.385 63.100 -0.116 0.000 0.800 362 P CB 1.052 32.728 31.700 -0.040 0.000 1.188 363 V N -0.633 119.222 119.914 -0.097 0.000 2.427 363 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 363 V C 1.273 177.338 176.094 -0.050 0.000 1.051 363 V CA 1.522 63.773 62.300 -0.081 0.000 1.048 363 V CB -0.833 30.958 31.823 -0.054 0.000 0.666 363 V HN 0.367 nan 8.190 nan 0.000 0.456 364 I N 2.170 122.726 120.570 -0.023 0.000 2.322 364 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 364 I C -2.192 173.916 176.117 -0.014 0.000 1.060 364 I CA -1.827 59.468 61.300 -0.008 0.000 1.309 364 I CB 0.861 38.872 38.000 0.017 0.000 1.415 364 I HN 0.124 nan 8.210 nan 0.000 0.492 365 P HA 0.182 nan 4.420 nan 0.000 0.272 365 P C -2.430 174.868 177.300 -0.003 0.000 1.240 365 P CA -1.021 62.069 63.100 -0.016 0.000 0.791 365 P CB -0.406 31.282 31.700 -0.019 0.000 0.978 366 P HA 0.246 nan 4.420 nan 0.000 0.271 366 P C -0.363 176.933 177.300 -0.007 0.000 1.216 366 P CA 0.033 63.132 63.100 -0.002 0.000 0.776 366 P CB 0.643 32.346 31.700 0.005 0.000 0.881 367 R N 1.459 121.950 120.500 -0.015 0.000 2.540 367 R HA 0.211 4.551 4.340 -0.000 0.000 0.287 367 R C 0.893 177.188 176.300 -0.009 0.000 0.980 367 R CA -0.577 55.507 56.100 -0.027 0.000 0.966 367 R CB 1.099 31.368 30.300 -0.051 0.000 1.106 367 R HN 0.433 nan 8.270 nan 0.000 0.480 368 E N 1.612 121.807 120.200 -0.007 0.000 2.112 368 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 368 E C -0.067 176.550 176.600 0.029 0.000 0.979 368 E CA 1.140 57.552 56.400 0.020 0.000 0.814 368 E CB 0.400 30.123 29.700 0.039 0.000 0.762 368 E HN 0.513 nan 8.360 nan 0.000 0.460 369 R N -1.911 118.595 120.500 0.011 0.000 2.728 369 R HA 0.455 4.795 4.340 -0.000 0.000 0.274 369 R C -1.499 174.800 176.300 -0.000 0.000 1.032 369 R CA -0.573 55.554 56.100 0.045 0.000 0.866 369 R CB 0.879 31.253 30.300 0.124 0.000 1.263 369 R HN -0.048 nan 8.270 nan 0.000 0.475 370 V N -1.254 118.703 119.914 0.072 0.000 3.078 370 V HA 0.784 4.904 4.120 -0.000 0.000 0.311 370 V C -0.642 175.597 176.094 0.242 0.000 1.138 370 V CA -1.033 61.322 62.300 0.092 0.000 1.007 370 V CB 2.209 34.068 31.823 0.060 0.000 1.045 370 V HN 0.792 nan 8.190 nan 0.000 0.432 371 I N 2.188 122.961 120.570 0.339 0.000 2.499 371 I HA 0.633 4.803 4.170 -0.000 0.000 0.288 371 I C -0.545 175.755 176.117 0.304 0.000 1.048 371 I CA -0.385 61.120 61.300 0.342 0.000 1.062 371 I CB 2.530 40.802 38.000 0.453 0.000 1.238 371 I HN 0.950 nan 8.210 nan 0.000 0.426 372 T N 2.458 117.136 114.554 0.206 0.000 2.892 372 T HA 0.610 4.960 4.350 -0.000 0.000 0.311 372 T C -0.656 174.075 174.700 0.052 0.000 1.033 372 T CA -0.824 61.331 62.100 0.092 0.000 0.991 372 T CB 1.211 70.176 68.868 0.161 0.000 0.981 372 T HN 0.516 nan 8.240 nan 0.000 0.457 373 K N 2.678 123.089 120.400 0.018 0.000 2.466 373 K HA 0.708 5.028 4.320 -0.000 0.000 0.260 373 K C -1.366 175.223 176.600 -0.018 0.000 1.011 373 K CA -1.103 55.235 56.287 0.085 0.000 0.871 373 K CB 2.980 35.622 32.500 0.237 0.000 1.404 373 K HN 0.563 nan 8.250 nan 0.000 0.450 374 M N 0.809 120.432 119.600 0.038 0.000 2.322 374 M HA 0.496 4.976 4.480 -0.000 0.000 0.286 374 M C -1.338 174.941 176.300 -0.035 0.000 1.111 374 M CA -0.259 55.008 55.300 -0.055 0.000 0.941 374 M CB 2.314 34.939 32.600 0.042 0.000 1.671 374 M HN 0.876 nan 8.290 nan 0.000 0.470 375 G N 2.395 111.029 108.800 -0.277 0.000 2.356 375 G HA2 0.225 4.185 3.960 -0.000 0.000 0.294 375 G HA3 0.225 4.185 3.960 -0.000 0.000 0.294 375 G C -0.668 174.046 174.900 -0.310 0.000 1.423 375 G CA -0.658 44.327 45.100 -0.193 0.000 0.806 375 G HN 0.748 nan 8.290 nan 0.000 0.527 376 K N -0.295 120.084 120.400 -0.036 0.000 2.097 376 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 376 K C 2.221 178.905 176.600 0.140 0.000 1.049 376 K CA 2.189 58.515 56.287 0.065 0.000 0.933 376 K CB -0.097 32.537 32.500 0.223 0.000 0.717 376 K HN 0.696 nan 8.250 nan 0.000 0.442 377 W N 0.713 122.121 121.300 0.180 0.000 2.350 377 W HA -0.109 4.551 4.660 0.000 0.000 0.289 377 W C 1.628 178.255 176.519 0.180 0.000 1.215 377 W CA 0.936 58.393 57.345 0.187 0.000 1.236 377 W CB -0.801 28.688 29.460 0.048 0.000 1.130 377 W HN -0.007 nan 8.180 nan 0.000 0.541 378 A N 0.867 123.232 122.820 -0.758 0.000 2.014 378 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 378 A C 2.172 179.647 177.584 -0.182 0.000 1.163 378 A CA 1.615 53.243 52.037 -0.682 0.000 0.652 378 A CB -1.471 16.839 19.000 -1.149 0.000 0.808 378 A HN 0.568 nan 8.150 nan 0.000 0.449 379 H N -1.672 117.235 119.070 -0.273 0.000 2.357 379 H HA -0.160 4.396 4.556 0.000 0.000 0.301 379 H C 1.659 176.857 175.328 -0.217 0.000 1.082 379 H CA 2.023 57.902 56.048 -0.281 0.000 1.342 379 H CB -0.138 29.357 29.762 -0.445 0.000 1.389 379 H HN 0.550 nan 8.280 nan 0.000 0.511 380 Y N -0.569 119.694 120.300 -0.062 0.000 2.314 380 Y HA -0.123 4.427 4.550 0.000 0.000 0.293 380 Y C 2.522 178.429 175.900 0.011 0.000 1.129 380 Y CA 0.946 59.008 58.100 -0.062 0.000 1.201 380 Y CB -0.693 37.816 38.460 0.081 0.000 0.999 380 Y HN 0.167 nan 8.280 nan 0.000 0.541 381 F N 1.060 121.080 119.950 0.118 0.000 2.186 381 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 381 F C 2.324 178.185 175.800 0.102 0.000 1.090 381 F CA 1.527 59.604 58.000 0.129 0.000 1.307 381 F CB -0.079 39.034 39.000 0.188 0.000 1.019 381 F HN -0.105 nan 8.300 nan 0.000 0.489 382 K N -0.144 120.335 120.400 0.132 0.000 2.026 382 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 382 K C 1.906 178.507 176.600 0.002 0.000 1.048 382 K CA 2.201 58.533 56.287 0.076 0.000 0.929 382 K CB -0.724 31.792 32.500 0.026 0.000 0.713 382 K HN 0.175 nan 8.250 nan 0.000 0.439 383 T N 0.401 114.874 114.554 -0.135 0.000 2.788 383 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 383 T C 1.830 176.489 174.700 -0.068 0.000 1.044 383 T CA 1.263 63.291 62.100 -0.120 0.000 1.139 383 T CB -0.422 68.340 68.868 -0.177 0.000 0.867 383 T HN 0.402 nan 8.240 nan 0.000 0.454 384 A N 0.845 123.617 122.820 -0.079 0.000 1.898 384 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 384 A C 1.992 179.508 177.584 -0.113 0.000 1.181 384 A CA 1.125 53.093 52.037 -0.115 0.000 0.620 384 A CB -0.927 17.970 19.000 -0.171 0.000 0.819 384 A HN 0.476 nan 8.150 nan 0.000 0.442 385 F N 0.786 120.580 119.950 -0.259 0.000 2.234 385 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 385 F C 2.182 177.999 175.800 0.029 0.000 1.087 385 F CA 1.841 59.786 58.000 -0.091 0.000 1.340 385 F CB -0.122 38.829 39.000 -0.081 0.000 1.031 385 F HN 0.472 nan 8.300 nan 0.000 0.500 386 E N 0.298 120.493 120.200 -0.009 0.000 2.038 386 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 386 E C 2.052 178.401 176.600 -0.418 0.000 1.000 386 E CA 1.529 57.716 56.400 -0.354 0.000 0.803 386 E CB -0.016 29.598 29.700 -0.143 0.000 0.750 386 E HN 0.218 nan 8.360 nan 0.000 0.448 387 K N -0.017 120.264 120.400 -0.199 0.000 2.057 387 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 387 K C 2.124 178.681 176.600 -0.072 0.000 1.050 387 K CA 1.179 57.393 56.287 -0.122 0.000 0.935 387 K CB -0.780 31.680 32.500 -0.066 0.000 0.715 387 K HN 0.330 nan 8.250 nan 0.000 0.439 388 Y N 0.797 120.950 120.300 -0.244 0.000 2.114 388 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 388 Y C 2.205 177.986 175.900 -0.200 0.000 1.143 388 Y CA 1.299 59.266 58.100 -0.223 0.000 1.135 388 Y CB -0.694 37.581 38.460 -0.307 0.000 0.980 388 Y HN -0.011 nan 8.280 nan 0.000 0.499 389 F N -0.394 119.135 119.950 -0.701 0.000 2.171 389 F HA -0.206 4.321 4.527 0.000 0.000 0.300 389 F C 1.935 177.482 175.800 -0.420 0.000 1.090 389 F CA 1.074 58.672 58.000 -0.670 0.000 1.293 389 F CB -0.282 38.376 39.000 -0.569 0.000 1.013 389 F HN 0.084 nan 8.300 nan 0.000 0.486 390 L N -1.135 119.950 121.223 -0.231 0.000 2.141 390 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 390 L C 2.016 178.806 176.870 -0.132 0.000 1.094 390 L CA 1.489 56.243 54.840 -0.143 0.000 0.763 390 L CB -1.897 40.089 42.059 -0.122 0.000 0.908 390 L HN 0.488 nan 8.230 nan 0.000 0.437 391 W N 1.237 122.369 121.300 -0.279 0.000 2.358 391 W HA -0.246 4.414 4.660 -0.000 0.000 0.303 391 W C 2.526 178.864 176.519 -0.301 0.000 1.208 391 W CA 1.767 58.973 57.345 -0.231 0.000 1.274 391 W CB 0.014 29.368 29.460 -0.178 0.000 1.138 391 W HN 0.005 nan 8.180 nan 0.000 0.515 392 K N -0.318 119.852 120.400 -0.384 0.000 2.057 392 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 392 K C 1.821 178.063 176.600 -0.597 0.000 1.049 392 K CA 1.927 57.837 56.287 -0.629 0.000 0.931 392 K CB -0.694 31.357 32.500 -0.748 0.000 0.714 392 K HN 0.068 nan 8.250 nan 0.000 0.440 393 V N 1.283 120.856 119.914 -0.569 0.000 2.343 393 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 393 V C 2.081 178.084 176.094 -0.152 0.000 1.051 393 V CA 1.705 63.759 62.300 -0.409 0.000 1.036 393 V CB -0.408 31.089 31.823 -0.543 0.000 0.654 393 V HN 0.274 nan 8.190 nan 0.000 0.451 394 R N -0.074 120.285 120.500 -0.234 0.000 2.236 394 R HA -0.004 4.336 4.340 -0.000 0.000 0.208 394 R C 1.404 177.621 176.300 -0.137 0.000 1.036 394 R CA 1.141 57.162 56.100 -0.132 0.000 1.001 394 R CB -0.149 30.058 30.300 -0.155 0.000 0.896 394 R HN 0.549 nan 8.270 nan 0.000 0.464 395 N N -1.120 117.275 118.700 -0.508 0.000 2.205 395 N HA 0.101 4.841 4.740 -0.000 0.000 0.201 395 N C 0.295 175.298 175.510 -0.845 0.000 1.128 395 N CA 0.577 53.243 53.050 -0.639 0.000 0.867 395 N CB 1.695 39.438 38.487 -1.239 0.000 0.996 395 N HN 0.230 nan 8.380 nan 0.000 0.503 396 G N 0.851 108.952 108.800 -1.165 0.000 2.149 396 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.235 396 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.235 396 G C -0.420 173.799 174.900 -1.136 0.000 1.018 396 G CA -0.260 43.614 45.100 -2.044 0.000 0.728 396 G HN 0.372 nan 8.290 nan 0.000 0.508 397 N N -0.173 118.164 118.700 -0.605 0.000 2.571 397 N HA 0.401 5.141 4.740 -0.000 0.000 0.286 397 N C 0.940 176.303 175.510 -0.244 0.000 1.138 397 N CA -0.861 51.990 53.050 -0.332 0.000 0.859 397 N CB 0.758 39.081 38.487 -0.274 0.000 1.414 397 N HN -0.091 nan 8.380 nan 0.000 0.529 398 I N 0.742 121.215 120.570 -0.162 0.000 3.578 398 I HA 0.221 4.391 4.170 -0.000 0.000 0.295 398 I C 0.710 176.741 176.117 -0.143 0.000 1.280 398 I CA 0.422 61.570 61.300 -0.253 0.000 1.347 398 I CB -0.710 37.126 38.000 -0.274 0.000 1.051 398 I HN 0.541 nan 8.210 nan 0.000 0.460 399 A N 2.259 125.018 122.820 -0.103 0.000 3.317 399 A HA 0.571 4.891 4.320 -0.000 0.000 0.307 399 A C -2.507 175.035 177.584 -0.070 0.000 1.003 399 A CA -0.870 51.129 52.037 -0.062 0.000 0.882 399 A CB -0.277 18.701 19.000 -0.037 0.000 1.136 399 A HN -0.051 nan 8.150 nan 0.000 0.488 400 P HA 0.136 nan 4.420 nan 0.000 0.271 400 P C 1.322 178.547 177.300 -0.126 0.000 1.218 400 P CA 0.253 63.317 63.100 -0.061 0.000 0.780 400 P CB 1.201 32.897 31.700 -0.007 0.000 0.901 401 S N 2.419 118.121 115.700 0.005 0.000 2.383 401 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 401 S C 1.745 176.365 174.600 0.032 0.000 1.030 401 S CA 1.389 59.607 58.200 0.029 0.000 1.002 401 S CB -1.591 61.658 63.200 0.080 0.000 0.829 401 S HN 0.559 nan 8.310 nan 0.000 0.467 402 F N 2.010 122.010 119.950 0.083 0.000 2.269 402 F HA 0.162 4.689 4.527 -0.000 0.000 0.301 402 F C 2.212 178.072 175.800 0.100 0.000 1.082 402 F CA 0.995 59.042 58.000 0.079 0.000 1.360 402 F CB -0.673 38.365 39.000 0.063 0.000 1.041 402 F HN 0.300 nan 8.300 nan 0.000 0.512 403 E N 0.874 120.638 120.200 -0.726 0.000 2.047 403 E HA -0.282 4.068 4.350 -0.000 0.000 0.191 403 E C 2.280 178.840 176.600 -0.066 0.000 0.987 403 E CA 1.370 57.520 56.400 -0.416 0.000 0.799 403 E CB -0.344 29.127 29.700 -0.381 0.000 0.752 403 E HN 0.698 nan 8.360 nan 0.000 0.449 404 E N 0.490 120.664 120.200 -0.043 0.000 2.085 404 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 404 E C 1.942 178.583 176.600 0.069 0.000 0.994 404 E CA 1.379 57.798 56.400 0.030 0.000 0.801 404 E CB 0.095 29.810 29.700 0.026 0.000 0.743 404 E HN 0.158 nan 8.360 nan 0.000 0.453 405 K N -0.041 120.408 120.400 0.082 0.000 2.057 405 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 405 K C 2.193 178.881 176.600 0.146 0.000 1.050 405 K CA 1.275 57.628 56.287 0.110 0.000 0.935 405 K CB 0.008 32.582 32.500 0.123 0.000 0.715 405 K HN 0.049 nan 8.250 nan 0.000 0.439 406 V N 1.651 121.681 119.914 0.193 0.000 2.295 406 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 406 V C 2.136 178.404 176.094 0.291 0.000 1.049 406 V CA 1.381 63.853 62.300 0.286 0.000 1.024 406 V CB -0.347 31.647 31.823 0.286 0.000 0.648 406 V HN 0.244 nan 8.190 nan 0.000 0.447 407 L N -0.128 121.200 121.223 0.176 0.000 2.191 407 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 407 L C 2.366 179.309 176.870 0.121 0.000 1.103 407 L CA 1.771 56.691 54.840 0.134 0.000 0.769 407 L CB -1.289 40.830 42.059 0.099 0.000 0.908 407 L HN 0.512 nan 8.230 nan 0.000 0.438 408 E N -0.247 120.024 120.200 0.118 0.000 2.076 408 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 408 E C 2.381 179.020 176.600 0.066 0.000 0.979 408 E CA 0.573 57.029 56.400 0.094 0.000 0.807 408 E CB 0.093 29.847 29.700 0.091 0.000 0.761 408 E HN 0.403 nan 8.360 nan 0.000 0.454 409 I N 0.041 120.650 120.570 0.064 0.000 2.142 409 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 409 I C 1.822 177.846 176.117 -0.155 0.000 1.078 409 I CA 1.259 62.521 61.300 -0.063 0.000 1.343 409 I CB -0.178 37.755 38.000 -0.113 0.000 1.046 409 I HN 0.140 nan 8.210 nan 0.000 0.405 410 F N -0.364 119.561 119.950 -0.042 0.000 2.219 410 F HA 0.020 4.547 4.527 0.000 0.000 0.294 410 F C 1.917 177.642 175.800 -0.125 0.000 1.086 410 F CA 1.006 58.953 58.000 -0.088 0.000 1.330 410 F CB 0.002 38.938 39.000 -0.107 0.000 1.047 410 F HN -0.111 nan 8.300 nan 0.000 0.495 411 L N -0.807 120.442 121.223 0.045 0.000 2.858 411 L HA 0.196 4.536 4.340 -0.000 0.000 0.251 411 L C 0.174 177.052 176.870 0.013 0.000 1.149 411 L CA 0.022 54.798 54.840 -0.106 0.000 0.955 411 L CB 0.013 41.834 42.059 -0.395 0.000 1.289 411 L HN -0.022 nan 8.230 nan 0.000 0.542 412 K N -0.230 120.200 120.400 0.050 0.000 3.071 412 K HA -0.149 4.171 4.320 -0.000 0.000 0.265 412 K C -0.246 176.416 176.600 0.103 0.000 1.060 412 K CA 0.077 56.417 56.287 0.088 0.000 0.767 412 K CB -2.033 30.525 32.500 0.097 0.000 1.241 412 K HN 0.044 nan 8.250 nan 0.000 0.486 413 V N 2.827 122.792 119.914 0.085 0.000 2.461 413 V HA 0.106 4.226 4.120 -0.000 0.000 0.275 413 V C 0.724 176.851 176.094 0.055 0.000 1.047 413 V CA -0.388 61.936 62.300 0.041 0.000 0.955 413 V CB 0.737 32.618 31.823 0.096 0.000 0.988 413 V HN 0.304 nan 8.190 nan 0.000 0.471 414 H N 5.838 124.965 119.070 0.095 0.000 2.638 414 H HA 0.401 4.957 4.556 0.000 0.000 0.317 414 H C -2.402 172.964 175.328 0.063 0.000 1.006 414 H CA -2.456 53.633 56.048 0.067 0.000 1.222 414 H CB 1.742 31.540 29.762 0.060 0.000 1.419 414 H HN 0.395 nan 8.280 nan 0.000 0.489 415 P HA -0.038 nan 4.420 nan 0.000 0.219 415 P C 0.745 178.097 177.300 0.087 0.000 1.150 415 P CA 0.842 63.983 63.100 0.069 0.000 0.814 415 P CB 0.866 32.595 31.700 0.048 0.000 0.787 416 I N -3.965 116.670 120.570 0.109 0.000 2.828 416 I HA 0.593 4.763 4.170 -0.000 0.000 0.302 416 I C -1.105 175.136 176.117 0.207 0.000 1.101 416 I CA -1.382 59.991 61.300 0.122 0.000 1.031 416 I CB 2.933 40.929 38.000 -0.007 0.000 1.231 416 I HN -0.318 nan 8.210 nan 0.000 0.427 417 E N 3.341 123.696 120.200 0.258 0.000 2.266 417 E HA 0.420 4.770 4.350 -0.000 0.000 0.268 417 E C -1.366 175.366 176.600 0.219 0.000 0.879 417 E CA -1.084 55.446 56.400 0.216 0.000 0.762 417 E CB 3.055 32.847 29.700 0.153 0.000 1.199 417 E HN 0.512 nan 8.360 nan 0.000 0.422 418 L N 2.730 124.004 121.223 0.085 0.000 2.534 418 L HA 0.044 4.384 4.340 -0.000 0.000 0.271 418 L C -0.848 175.960 176.870 -0.105 0.000 1.178 418 L CA 0.223 54.946 54.840 -0.196 0.000 0.907 418 L CB 0.086 42.033 42.059 -0.186 0.000 1.164 418 L HN 0.624 nan 8.230 nan 0.000 0.482 419 c N 7.254 125.780 118.600 -0.124 0.000 2.281 419 c HA 0.404 4.974 4.570 -0.000 0.000 0.323 419 c C 1.431 175.490 174.090 -0.052 0.000 1.270 419 c CA -0.932 55.374 56.329 -0.039 0.000 1.559 419 c CB 0.175 42.698 42.510 0.021 0.000 2.239 419 c HN 0.977 nan 8.230 nan 0.000 0.488 420 K N 2.842 123.222 120.400 -0.034 0.000 2.217 420 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 420 K C -0.055 176.537 176.600 -0.014 0.000 1.051 420 K CA 0.988 57.257 56.287 -0.029 0.000 0.952 420 K CB 0.030 32.517 32.500 -0.022 0.000 0.736 420 K HN 0.704 nan 8.250 nan 0.000 0.453 421 D N -0.301 120.097 120.400 -0.004 0.000 2.479 421 D HA 0.193 4.833 4.640 -0.000 0.000 0.246 421 D C -0.074 176.232 176.300 0.011 0.000 1.336 421 D CA -0.656 53.345 54.000 0.003 0.000 0.967 421 D CB 0.903 41.704 40.800 0.001 0.000 1.275 421 D HN -0.005 nan 8.370 nan 0.000 0.577 422 c N 2.205 120.815 118.600 0.016 0.000 2.456 422 c HA 0.036 4.606 4.570 -0.000 0.000 0.279 422 c C 0.676 174.770 174.090 0.007 0.000 1.427 422 c CA -0.041 56.304 56.329 0.026 0.000 1.778 422 c CB -0.630 41.906 42.510 0.042 0.000 1.842 422 c HN 0.476 nan 8.230 nan 0.000 0.531 423 E N 1.580 121.779 120.200 -0.001 0.000 1.944 423 E HA 0.476 4.826 4.350 -0.000 0.000 0.272 423 E C 0.398 176.990 176.600 -0.014 0.000 1.195 423 E CA 0.387 56.780 56.400 -0.012 0.000 0.926 423 E CB 0.173 29.865 29.700 -0.013 0.000 1.051 423 E HN 0.623 nan 8.360 nan 0.000 0.404 424 G N 0.613 109.399 108.800 -0.023 0.000 2.338 424 G HA2 0.438 4.398 3.960 -0.000 0.000 0.295 424 G HA3 0.438 4.398 3.960 -0.000 0.000 0.295 424 G C -1.108 173.766 174.900 -0.043 0.000 1.461 424 G CA -0.407 44.679 45.100 -0.024 0.000 0.817 424 G HN 0.481 nan 8.290 nan 0.000 0.556 425 A N 1.130 123.926 122.820 -0.040 0.000 2.498 425 A HA 0.630 4.950 4.320 -0.000 0.000 0.239 425 A C -1.760 175.777 177.584 -0.079 0.000 1.068 425 A CA -0.602 51.399 52.037 -0.060 0.000 0.766 425 A CB -0.282 18.696 19.000 -0.037 0.000 1.003 425 A HN 0.498 nan 8.150 nan 0.000 0.497 426 P HA 0.218 nan 4.420 nan 0.000 0.267 426 P C 0.903 178.184 177.300 -0.032 0.000 1.205 426 P CA 1.447 64.428 63.100 -0.198 0.000 0.765 426 P CB 0.865 32.256 31.700 -0.515 0.000 0.828 427 G N 2.107 110.939 108.800 0.053 0.000 2.234 427 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 427 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 427 G C 0.311 175.241 174.900 0.049 0.000 0.997 427 G CA 0.259 45.403 45.100 0.074 0.000 0.623 427 G HN 0.864 nan 8.290 nan 0.000 0.514 428 S N 1.356 117.074 115.700 0.030 0.000 2.592 428 S HA 0.702 5.172 4.470 -0.000 0.000 0.271 428 S C 0.461 175.084 174.600 0.037 0.000 1.326 428 S CA -0.517 57.698 58.200 0.025 0.000 1.024 428 S CB 1.286 64.493 63.200 0.011 0.000 0.921 428 S HN 0.544 nan 8.310 nan 0.000 0.527 429 R N 1.319 121.840 120.500 0.035 0.000 2.357 429 R HA 0.386 4.726 4.340 -0.000 0.000 0.296 429 R C 0.102 176.422 176.300 0.033 0.000 1.052 429 R CA -0.514 55.611 56.100 0.041 0.000 0.988 429 R CB -0.410 29.914 30.300 0.039 0.000 1.025 429 R HN 0.739 nan 8.270 nan 0.000 0.469 430 c N 0.000 118.623 118.600 0.038 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.345 56.329 0.026 0.000 1.963 430 c CB 0.000 42.526 42.510 0.027 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568