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 3hyw_1_B 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 RLSAIXIADF 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 0.000 177.645 177.584 0.101 0.000 1.274 2 A CA 0.000 52.076 52.037 0.065 0.000 0.836 2 A CB 0.000 19.031 19.000 0.051 0.000 0.831 3 K N 1.174 121.657 120.400 0.138 0.000 2.180 3 K HA 0.286 4.606 4.320 -0.000 0.000 0.251 3 K C -0.357 176.408 176.600 0.275 0.000 1.014 3 K CA -0.006 56.410 56.287 0.215 0.000 0.913 3 K CB 0.389 33.058 32.500 0.281 0.000 1.008 3 K HN 0.848 nan 8.250 nan 0.000 0.490 4 H N 0.000 119.185 119.070 0.192 0.000 2.823 4 H HA 0.309 4.865 4.556 -0.000 0.000 0.332 4 H C -1.463 174.015 175.328 0.250 0.000 0.980 4 H CA -0.708 55.445 56.048 0.175 0.000 1.286 4 H CB 1.561 31.402 29.762 0.132 0.000 1.541 4 H HN 0.235 nan 8.280 nan 0.000 0.521 5 V N 6.838 126.848 119.914 0.161 0.000 2.435 5 V HA 0.430 4.550 4.120 -0.000 0.000 0.290 5 V C -0.647 175.380 176.094 -0.112 0.000 1.030 5 V CA -0.410 61.924 62.300 0.057 0.000 0.881 5 V CB 1.262 33.143 31.823 0.096 0.000 0.983 5 V HN 0.517 nan 8.190 nan 0.000 0.445 6 V N 6.653 126.465 119.914 -0.170 0.000 2.483 6 V HA 0.797 4.917 4.120 -0.000 0.000 0.295 6 V C -0.680 175.376 176.094 -0.063 0.000 1.035 6 V CA -0.232 62.003 62.300 -0.108 0.000 0.896 6 V CB 1.777 33.538 31.823 -0.103 0.000 0.986 6 V HN 0.727 nan 8.190 nan 0.000 0.447 7 V N 6.951 126.863 119.914 -0.003 0.000 2.384 7 V HA 0.484 4.604 4.120 -0.000 0.000 0.287 7 V C 0.089 176.195 176.094 0.019 0.000 1.020 7 V CA -0.403 61.901 62.300 0.007 0.000 0.850 7 V CB 1.446 33.287 31.823 0.029 0.000 0.987 7 V HN 0.833 nan 8.190 nan 0.000 0.436 8 I N 4.724 125.294 120.570 0.001 0.000 2.297 8 I HA 0.705 4.875 4.170 -0.000 0.000 0.291 8 I C 0.719 176.852 176.117 0.027 0.000 1.033 8 I CA 0.032 61.339 61.300 0.011 0.000 1.253 8 I CB 1.064 39.058 38.000 -0.010 0.000 1.396 8 I HN 0.862 nan 8.210 nan 0.000 0.476 9 G N 3.584 112.415 108.800 0.051 0.000 3.239 9 G HA2 0.057 4.017 3.960 -0.000 0.000 0.666 9 G HA3 0.057 4.017 3.960 -0.000 0.000 0.666 9 G C -0.114 174.838 174.900 0.087 0.000 1.313 9 G CA -0.582 44.552 45.100 0.056 0.000 1.001 9 G HN 0.917 nan 8.290 nan 0.000 0.573 10 G N 0.528 109.396 108.800 0.113 0.000 3.949 10 G HA2 0.665 4.625 3.960 -0.000 0.000 0.295 10 G HA3 0.665 4.625 3.960 -0.000 0.000 0.295 10 G C 0.777 175.785 174.900 0.179 0.000 1.286 10 G CA 0.879 46.060 45.100 0.134 0.000 1.171 10 G HN 1.238 nan 8.290 nan 0.000 0.586 11 G N -0.693 108.207 108.800 0.166 0.000 2.990 11 G HA2 0.365 4.325 3.960 -0.000 0.000 0.208 11 G HA3 0.365 4.325 3.960 -0.000 0.000 0.208 11 G C 1.058 176.164 174.900 0.343 0.000 1.334 11 G CA 0.038 45.290 45.100 0.253 0.000 1.024 11 G HN 0.018 nan 8.290 nan 0.000 0.574 12 V N 0.982 121.097 119.914 0.336 0.000 2.287 12 V HA -0.083 4.037 4.120 -0.000 0.000 0.248 12 V C 3.058 179.231 176.094 0.132 0.000 1.053 12 V CA 2.656 65.141 62.300 0.309 0.000 1.027 12 V CB -1.084 30.834 31.823 0.158 0.000 0.646 12 V HN 0.776 nan 8.190 nan 0.000 0.447 13 G N -0.225 108.617 108.800 0.070 0.000 2.404 13 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.215 13 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.215 13 G C 1.630 176.529 174.900 -0.002 0.000 1.174 13 G CA 0.895 46.010 45.100 0.025 0.000 0.780 13 G HN 0.582 nan 8.290 nan 0.000 0.537 14 G N 1.107 109.913 108.800 0.010 0.000 2.433 14 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 14 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 14 G C 1.682 176.531 174.900 -0.085 0.000 1.186 14 G CA 0.927 46.021 45.100 -0.009 0.000 0.779 14 G HN 0.293 nan 8.290 nan 0.000 0.543 15 I N 1.875 122.351 120.570 -0.157 0.000 2.179 15 I HA -0.118 4.052 4.170 -0.000 0.000 0.242 15 I C 3.309 179.095 176.117 -0.551 0.000 1.088 15 I CA 1.259 62.276 61.300 -0.472 0.000 1.357 15 I CB -1.358 36.266 38.000 -0.626 0.000 1.051 15 I HN 0.264 nan 8.210 nan 0.000 0.409 16 A N 0.676 123.317 122.820 -0.297 0.000 1.883 16 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 16 A C 2.438 179.944 177.584 -0.130 0.000 1.186 16 A CA 2.632 54.557 52.037 -0.188 0.000 0.624 16 A CB -1.120 17.854 19.000 -0.044 0.000 0.822 16 A HN 0.441 nan 8.150 nan 0.000 0.444 17 T N 0.219 114.710 114.554 -0.104 0.000 2.737 17 T HA 0.044 4.394 4.350 -0.000 0.000 0.265 17 T C 2.256 176.915 174.700 -0.069 0.000 1.038 17 T CA 1.514 63.563 62.100 -0.084 0.000 1.144 17 T CB -0.510 68.317 68.868 -0.067 0.000 0.866 17 T HN 0.604 nan 8.240 nan 0.000 0.434 18 A N 0.876 123.663 122.820 -0.055 0.000 1.883 18 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 18 A C 2.122 179.777 177.584 0.118 0.000 1.186 18 A CA 1.439 53.492 52.037 0.027 0.000 0.624 18 A CB -0.982 18.049 19.000 0.053 0.000 0.822 18 A HN 0.482 nan 8.150 nan 0.000 0.444 19 Y N 0.596 120.811 120.300 -0.142 0.000 2.200 19 Y HA -0.117 4.433 4.550 -0.000 0.000 0.290 19 Y C 2.475 178.256 175.900 -0.198 0.000 1.137 19 Y CA 0.780 58.752 58.100 -0.213 0.000 1.163 19 Y CB -0.895 37.382 38.460 -0.305 0.000 0.988 19 Y HN 0.330 nan 8.280 nan 0.000 0.518 20 N N 0.300 118.994 118.700 -0.010 0.000 2.069 20 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 20 N C 2.080 177.508 175.510 -0.136 0.000 1.031 20 N CA 1.131 54.123 53.050 -0.098 0.000 0.852 20 N CB -0.722 37.694 38.487 -0.119 0.000 1.018 20 N HN 0.308 nan 8.380 nan 0.000 0.423 21 L N 0.640 121.795 121.223 -0.113 0.000 2.012 21 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 21 L C 2.590 179.409 176.870 -0.086 0.000 1.073 21 L CA 1.111 55.879 54.840 -0.120 0.000 0.748 21 L CB -0.311 41.693 42.059 -0.092 0.000 0.891 21 L HN 0.100 nan 8.230 nan 0.000 0.431 22 R N 0.894 121.364 120.500 -0.048 0.000 2.091 22 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 22 R C 1.766 178.016 176.300 -0.082 0.000 1.136 22 R CA 2.126 58.199 56.100 -0.046 0.000 0.959 22 R CB -0.717 29.563 30.300 -0.034 0.000 0.856 22 R HN 0.450 nan 8.270 nan 0.000 0.437 23 N N -0.700 117.931 118.700 -0.114 0.000 2.270 23 N HA -0.073 4.667 4.740 -0.000 0.000 0.181 23 N C 1.024 176.472 175.510 -0.103 0.000 1.016 23 N CA 0.711 53.690 53.050 -0.118 0.000 0.870 23 N CB -0.017 38.386 38.487 -0.139 0.000 0.979 23 N HN 0.056 nan 8.380 nan 0.000 0.431 24 L N 0.019 121.165 121.223 -0.128 0.000 2.156 24 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 24 L C 0.552 177.368 176.870 -0.090 0.000 1.095 24 L CA 1.369 56.127 54.840 -0.137 0.000 0.770 24 L CB -0.162 41.758 42.059 -0.231 0.000 0.914 24 L HN 0.220 nan 8.230 nan 0.000 0.439 25 M N -1.105 118.449 119.600 -0.076 0.000 2.037 25 M HA 0.234 4.714 4.480 -0.000 0.000 0.255 25 M C -1.932 174.351 176.300 -0.028 0.000 0.914 25 M CA -1.420 53.852 55.300 -0.046 0.000 0.986 25 M CB 1.748 34.318 32.600 -0.049 0.000 1.947 25 M HN -0.183 nan 8.290 nan 0.000 0.419 26 P HA -0.175 nan 4.420 nan 0.000 0.216 26 P C 0.649 177.950 177.300 0.002 0.000 1.150 26 P CA 1.451 64.544 63.100 -0.012 0.000 0.837 26 P CB 0.018 31.711 31.700 -0.012 0.000 0.786 27 D N -1.317 119.086 120.400 0.006 0.000 2.323 27 D HA -0.055 4.585 4.640 -0.000 0.000 0.209 27 D C 0.900 177.217 176.300 0.028 0.000 0.973 27 D CA 0.074 54.083 54.000 0.016 0.000 0.874 27 D CB -0.802 40.007 40.800 0.016 0.000 0.930 27 D HN 0.167 nan 8.370 nan 0.000 0.521 28 L N 1.165 122.406 121.223 0.030 0.000 2.540 28 L HA 0.002 4.342 4.340 -0.000 0.000 0.276 28 L C 0.376 177.291 176.870 0.074 0.000 1.212 28 L CA 0.271 55.143 54.840 0.054 0.000 0.893 28 L CB 0.454 42.532 42.059 0.032 0.000 1.138 28 L HN -0.153 nan 8.230 nan 0.000 0.491 29 K N 6.082 126.548 120.400 0.110 0.000 2.322 29 K HA 0.447 4.767 4.320 -0.000 0.000 0.283 29 K C -0.798 175.959 176.600 0.262 0.000 1.042 29 K CA -0.046 56.314 56.287 0.121 0.000 0.958 29 K CB 0.956 33.461 32.500 0.008 0.000 0.984 29 K HN 0.467 nan 8.250 nan 0.000 0.473 30 I N 2.203 122.901 120.570 0.213 0.000 2.478 30 I HA 0.175 4.345 4.170 -0.000 0.000 0.287 30 I C -0.597 175.663 176.117 0.238 0.000 1.042 30 I CA -0.643 60.792 61.300 0.226 0.000 1.067 30 I CB 2.313 40.398 38.000 0.143 0.000 1.233 30 I HN 0.461 nan 8.210 nan 0.000 0.431 31 T N 6.949 121.673 114.554 0.282 0.000 2.792 31 T HA 0.514 4.864 4.350 -0.000 0.000 0.280 31 T C -0.607 174.197 174.700 0.172 0.000 0.990 31 T CA -0.382 61.868 62.100 0.250 0.000 0.960 31 T CB 1.602 70.683 68.868 0.354 0.000 0.939 31 T HN 0.343 nan 8.240 nan 0.000 0.439 32 L N 5.000 126.341 121.223 0.196 0.000 2.287 32 L HA 0.657 4.997 4.340 -0.000 0.000 0.287 32 L C -1.140 175.840 176.870 0.184 0.000 1.022 32 L CA -0.808 54.154 54.840 0.204 0.000 0.814 32 L CB 0.568 42.786 42.059 0.265 0.000 1.217 32 L HN 0.634 nan 8.230 nan 0.000 0.420 33 I N 4.303 124.930 120.570 0.095 0.000 2.339 33 I HA 0.407 4.577 4.170 -0.000 0.000 0.290 33 I C -0.226 175.916 176.117 0.042 0.000 0.994 33 I CA -0.174 61.125 61.300 -0.001 0.000 1.191 33 I CB 1.740 39.733 38.000 -0.012 0.000 1.343 33 I HN 0.513 nan 8.210 nan 0.000 0.458 34 S N 3.715 119.421 115.700 0.009 0.000 2.575 34 S HA 0.232 4.702 4.470 -0.000 0.000 0.278 34 S C 0.362 174.977 174.600 0.025 0.000 1.139 34 S CA -0.584 57.672 58.200 0.093 0.000 0.954 34 S CB 1.520 64.890 63.200 0.283 0.000 1.054 34 S HN 0.692 nan 8.310 nan 0.000 0.483 35 D N 2.482 122.889 120.400 0.011 0.000 2.268 35 D HA -0.157 4.483 4.640 -0.000 0.000 0.189 35 D C 0.634 176.938 176.300 0.007 0.000 1.010 35 D CA 1.833 55.832 54.000 -0.002 0.000 0.862 35 D CB 0.040 40.833 40.800 -0.011 0.000 0.943 35 D HN 0.524 nan 8.370 nan 0.000 0.451 36 R N -0.479 120.011 120.500 -0.017 0.000 2.428 36 R HA 0.249 4.589 4.340 -0.000 0.000 0.294 36 R C -1.635 174.703 176.300 0.062 0.000 1.000 36 R CA -1.284 54.754 56.100 -0.103 0.000 0.960 36 R CB 1.398 31.397 30.300 -0.501 0.000 1.076 36 R HN 0.087 nan 8.270 nan 0.000 0.475 37 P HA -0.079 nan 4.420 nan 0.000 0.241 37 P C -0.898 176.567 177.300 0.275 0.000 1.191 37 P CA 0.957 64.261 63.100 0.342 0.000 0.771 37 P CB 0.132 32.026 31.700 0.323 0.000 0.929 38 Y N -2.256 118.164 120.300 0.199 0.000 2.536 38 Y HA 0.652 5.202 4.550 -0.000 0.000 0.347 38 Y C -0.660 175.341 175.900 0.168 0.000 1.000 38 Y CA -2.599 55.596 58.100 0.158 0.000 1.051 38 Y CB 0.431 39.020 38.460 0.214 0.000 1.259 38 Y HN -0.278 nan 8.280 nan 0.000 0.468 39 F N 2.350 122.405 119.950 0.175 0.000 2.427 39 F HA 0.721 5.248 4.527 -0.000 0.000 0.352 39 F C 0.203 176.254 175.800 0.419 0.000 1.100 39 F CA -0.514 57.591 58.000 0.174 0.000 1.191 39 F CB 0.816 39.874 39.000 0.096 0.000 1.128 39 F HN 0.828 nan 8.300 nan 0.000 0.533 40 G N 5.879 114.365 108.800 -0.524 0.000 2.417 40 G HA2 0.335 4.295 3.960 -0.000 0.000 0.320 40 G HA3 0.335 4.295 3.960 -0.000 0.000 0.320 40 G C -1.644 172.821 174.900 -0.725 0.000 1.204 40 G CA -0.609 44.404 45.100 -0.146 0.000 0.923 40 G HN 0.682 nan 8.290 nan 0.000 0.466 41 F N 4.051 123.717 119.950 -0.474 0.000 2.600 41 F HA 0.224 4.751 4.527 -0.000 0.000 0.345 41 F C 1.832 177.279 175.800 -0.589 0.000 1.271 41 F CA -0.457 57.331 58.000 -0.354 0.000 1.138 41 F CB 0.037 39.056 39.000 0.033 0.000 1.449 41 F HN 0.464 nan 8.300 nan 0.000 0.645 42 T N 4.564 118.349 114.554 -1.281 0.000 2.685 42 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 42 T C -0.699 173.340 174.700 -1.102 0.000 1.034 42 T CA 1.584 62.655 62.100 -1.715 0.000 1.149 42 T CB -1.041 67.246 68.868 -0.970 0.000 0.860 42 T HN 0.378 nan 8.240 nan 0.000 0.449 43 P HA 0.140 nan 4.420 nan 0.000 0.231 43 P C 0.789 178.025 177.300 -0.107 0.000 1.158 43 P CA 0.707 63.488 63.100 -0.532 0.000 0.763 43 P CB -0.182 31.162 31.700 -0.594 0.000 0.805 44 A N -2.357 120.426 122.820 -0.062 0.000 2.348 44 A HA 0.129 4.449 4.320 -0.000 0.000 0.224 44 A C 1.283 179.193 177.584 0.544 0.000 1.227 44 A CA -0.091 52.147 52.037 0.335 0.000 0.885 44 A CB -0.945 18.289 19.000 0.391 0.000 0.933 44 A HN -0.028 nan 8.150 nan 0.000 0.506 45 F N 0.897 120.960 119.950 0.189 0.000 2.186 45 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 45 F C -0.556 175.347 175.800 0.171 0.000 1.090 45 F CA 0.610 58.708 58.000 0.162 0.000 1.307 45 F CB -1.963 37.097 39.000 0.099 0.000 1.019 45 F HN 0.196 nan 8.300 nan 0.000 0.489 46 P HA -0.123 nan 4.420 nan 0.000 0.217 46 P C 1.141 178.502 177.300 0.102 0.000 1.150 46 P CA 1.751 64.987 63.100 0.227 0.000 0.832 46 P CB -0.170 31.610 31.700 0.133 0.000 0.787 47 H N -1.392 117.783 119.070 0.176 0.000 2.389 47 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 47 H C 1.821 177.229 175.328 0.134 0.000 1.081 47 H CA 0.855 56.989 56.048 0.143 0.000 1.345 47 H CB -1.134 28.826 29.762 0.330 0.000 1.393 47 H HN -0.003 nan 8.280 nan 0.000 0.520 48 L N 0.692 122.118 121.223 0.337 0.000 2.046 48 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 48 L C 2.343 179.306 176.870 0.156 0.000 1.077 48 L CA 1.732 56.719 54.840 0.246 0.000 0.747 48 L CB -0.868 41.336 42.059 0.242 0.000 0.896 48 L HN 0.274 nan 8.230 nan 0.000 0.432 49 A N -1.201 121.710 122.820 0.150 0.000 1.972 49 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 49 A C 2.093 179.757 177.584 0.133 0.000 1.169 49 A CA 1.831 53.959 52.037 0.151 0.000 0.635 49 A CB -0.501 18.606 19.000 0.177 0.000 0.810 49 A HN 0.460 nan 8.150 nan 0.000 0.446 50 M N -1.377 118.194 119.600 -0.049 0.000 2.619 50 M HA 0.099 4.579 4.480 -0.000 0.000 0.251 50 M C 1.514 177.706 176.300 -0.180 0.000 1.106 50 M CA 0.783 55.864 55.300 -0.364 0.000 1.086 50 M CB -1.203 30.597 32.600 -1.333 0.000 1.465 50 M HN 0.792 nan 8.290 nan 0.000 0.506 51 G N -0.758 108.066 108.800 0.040 0.000 2.147 51 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 51 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 51 G C 0.147 175.289 174.900 0.404 0.000 1.005 51 G CA 0.187 45.411 45.100 0.207 0.000 0.713 51 G HN 0.538 nan 8.290 nan 0.000 0.515 52 W N -0.027 121.393 121.300 0.200 0.000 3.278 52 W HA 0.519 5.179 4.660 0.000 0.000 0.308 52 W C 1.273 177.908 176.519 0.194 0.000 1.253 52 W CA -0.605 56.858 57.345 0.197 0.000 1.759 52 W CB -0.013 29.590 29.460 0.237 0.000 1.093 52 W HN 0.246 nan 8.180 nan 0.000 0.648 53 R N -0.282 120.449 120.500 0.384 0.000 2.774 53 R HA 0.378 4.718 4.340 -0.000 0.000 0.272 53 R C -0.388 176.044 176.300 0.220 0.000 1.000 53 R CA -0.858 55.408 56.100 0.276 0.000 0.906 53 R CB 2.348 32.814 30.300 0.277 0.000 1.227 53 R HN -0.271 nan 8.270 nan 0.000 0.468 54 K N 1.679 122.183 120.400 0.174 0.000 2.156 54 K HA 0.169 4.489 4.320 -0.000 0.000 0.271 54 K C 0.435 177.131 176.600 0.159 0.000 0.995 54 K CA -0.342 56.042 56.287 0.161 0.000 0.890 54 K CB 0.911 33.487 32.500 0.127 0.000 1.073 54 K HN 0.439 nan 8.250 nan 0.000 0.454 55 F N 2.871 122.840 119.950 0.032 0.000 2.115 55 F HA -0.252 4.275 4.527 -0.000 0.000 0.300 55 F C 1.519 177.311 175.800 -0.013 0.000 1.092 55 F CA 1.840 59.830 58.000 -0.018 0.000 1.245 55 F CB 0.215 39.156 39.000 -0.098 0.000 0.995 55 F HN 0.678 nan 8.300 nan 0.000 0.481 56 E N -0.393 119.791 120.200 -0.027 0.000 2.338 56 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 56 E C 1.278 177.820 176.600 -0.097 0.000 1.007 56 E CA 0.915 57.254 56.400 -0.103 0.000 0.849 56 E CB -0.140 29.591 29.700 0.053 0.000 0.774 56 E HN 0.512 nan 8.360 nan 0.000 0.506 57 D N 0.234 120.607 120.400 -0.044 0.000 2.348 57 D HA -0.015 4.625 4.640 -0.000 0.000 0.211 57 D C 1.473 177.765 176.300 -0.013 0.000 0.998 57 D CA 0.573 54.569 54.000 -0.007 0.000 0.873 57 D CB 0.331 41.154 40.800 0.039 0.000 0.925 57 D HN 0.373 nan 8.370 nan 0.000 0.524 58 I N -2.167 118.371 120.570 -0.054 0.000 3.833 58 I HA 0.269 4.439 4.170 -0.000 0.000 0.328 58 I C -0.243 175.858 176.117 -0.026 0.000 1.554 58 I CA -0.446 60.876 61.300 0.037 0.000 1.116 58 I CB 0.442 38.552 38.000 0.183 0.000 1.182 58 I HN -0.242 nan 8.210 nan 0.000 0.459 59 S N 0.036 115.626 115.700 -0.183 0.000 2.588 59 S HA 0.835 5.305 4.470 -0.000 0.000 0.275 59 S C -0.818 173.785 174.600 0.005 0.000 1.130 59 S CA -0.644 57.445 58.200 -0.185 0.000 0.855 59 S CB 2.511 65.182 63.200 -0.881 0.000 1.116 59 S HN 0.023 nan 8.310 nan 0.000 0.472 60 V N 1.745 121.775 119.914 0.193 0.000 2.524 60 V HA 0.495 4.615 4.120 -0.000 0.000 0.297 60 V C -2.809 173.398 176.094 0.188 0.000 1.035 60 V CA -1.933 60.470 62.300 0.171 0.000 0.867 60 V CB 1.512 33.448 31.823 0.188 0.000 1.004 60 V HN 0.791 nan 8.190 nan 0.000 0.426 61 P HA 0.248 nan 4.420 nan 0.000 0.268 61 P C 0.545 177.848 177.300 0.005 0.000 1.204 61 P CA 0.172 63.344 63.100 0.119 0.000 0.768 61 P CB 0.831 32.593 31.700 0.102 0.000 0.842 62 L N 2.394 123.541 121.223 -0.127 0.000 2.408 62 L HA 0.058 4.398 4.340 -0.000 0.000 0.215 62 L C 2.300 178.943 176.870 -0.378 0.000 1.081 62 L CA 0.839 55.430 54.840 -0.415 0.000 0.840 62 L CB -0.655 40.810 42.059 -0.989 0.000 1.002 62 L HN 0.356 nan 8.230 nan 0.000 0.468 63 A N 1.366 124.116 122.820 -0.116 0.000 1.908 63 A HA -0.117 4.202 4.320 -0.000 0.000 0.218 63 A C -0.189 177.426 177.584 0.052 0.000 1.181 63 A CA 1.737 53.873 52.037 0.165 0.000 0.627 63 A CB -1.708 17.460 19.000 0.279 0.000 0.818 63 A HN 0.311 nan 8.150 nan 0.000 0.445 64 P HA 0.055 nan 4.420 nan 0.000 0.240 64 P C 1.242 178.476 177.300 -0.110 0.000 1.190 64 P CA 0.354 63.432 63.100 -0.036 0.000 0.781 64 P CB 0.149 31.835 31.700 -0.023 0.000 0.931 65 L N -1.112 120.030 121.223 -0.135 0.000 2.262 65 L HA 0.156 4.496 4.340 -0.000 0.000 0.197 65 L C 2.131 178.794 176.870 -0.344 0.000 1.073 65 L CA 1.253 55.955 54.840 -0.230 0.000 0.800 65 L CB -1.114 40.876 42.059 -0.116 0.000 0.987 65 L HN -0.245 nan 8.230 nan 0.000 0.470 66 L N 0.245 121.375 121.223 -0.155 0.000 2.083 66 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 66 L C -0.361 176.458 176.870 -0.085 0.000 1.083 66 L CA 1.113 55.935 54.840 -0.031 0.000 0.752 66 L CB -1.863 40.235 42.059 0.065 0.000 0.899 66 L HN 0.261 nan 8.230 nan 0.000 0.433 67 P HA -0.188 nan 4.420 nan 0.000 0.218 67 P C 1.260 178.442 177.300 -0.196 0.000 1.148 67 P CA 1.310 64.355 63.100 -0.092 0.000 0.822 67 P CB -0.020 31.641 31.700 -0.064 0.000 0.784 68 K N -1.349 118.804 120.400 -0.412 0.000 2.211 68 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 68 K C 1.003 177.301 176.600 -0.503 0.000 1.047 68 K CA 1.172 57.123 56.287 -0.560 0.000 0.935 68 K CB -0.412 31.566 32.500 -0.870 0.000 0.728 68 K HN 0.297 nan 8.250 nan 0.000 0.452 69 F N 0.548 120.427 119.950 -0.118 0.000 2.647 69 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 69 F C -0.027 175.724 175.800 -0.082 0.000 1.106 69 F CA -0.775 57.134 58.000 -0.151 0.000 1.313 69 F CB 0.121 38.957 39.000 -0.274 0.000 1.007 69 F HN -0.065 nan 8.300 nan 0.000 0.536 70 N N 1.589 120.313 118.700 0.040 0.000 2.754 70 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 70 N C -0.693 174.863 175.510 0.076 0.000 1.093 70 N CA 0.710 53.784 53.050 0.040 0.000 0.699 70 N CB -1.605 36.902 38.487 0.033 0.000 1.016 70 N HN 0.384 nan 8.380 nan 0.000 0.552 71 I N 0.591 121.223 120.570 0.103 0.000 2.362 71 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 71 I C 0.799 177.003 176.117 0.145 0.000 0.994 71 I CA -0.626 60.760 61.300 0.144 0.000 1.158 71 I CB 1.747 39.871 38.000 0.207 0.000 1.315 71 I HN 0.015 nan 8.210 nan 0.000 0.451 72 E N 6.936 127.224 120.200 0.147 0.000 2.257 72 E HA 0.110 4.460 4.350 -0.000 0.000 0.278 72 E C -1.387 175.350 176.600 0.230 0.000 1.049 72 E CA -0.282 56.208 56.400 0.150 0.000 0.876 72 E CB 0.718 30.482 29.700 0.107 0.000 1.035 72 E HN 0.476 nan 8.360 nan 0.000 0.419 73 F N 6.289 126.272 119.950 0.056 0.000 2.404 73 F HA 0.398 4.925 4.527 -0.000 0.000 0.354 73 F C -0.619 175.210 175.800 0.049 0.000 1.122 73 F CA -0.877 57.157 58.000 0.057 0.000 1.080 73 F CB 0.623 39.657 39.000 0.056 0.000 1.131 73 F HN 0.388 nan 8.300 nan 0.000 0.471 74 I N 5.932 126.226 120.570 -0.459 0.000 2.328 74 I HA 0.129 4.299 4.170 -0.000 0.000 0.287 74 I C -0.264 175.361 176.117 -0.819 0.000 1.012 74 I CA -0.660 60.356 61.300 -0.474 0.000 1.195 74 I CB 1.132 39.019 38.000 -0.188 0.000 1.350 74 I HN 0.542 nan 8.210 nan 0.000 0.464 75 N N 6.900 125.120 118.700 -0.801 0.000 3.303 75 N HA 0.146 4.886 4.740 -0.000 0.000 0.304 75 N C -0.649 174.717 175.510 -0.240 0.000 1.302 75 N CA 0.182 52.876 53.050 -0.594 0.000 1.213 75 N CB 0.108 38.404 38.487 -0.319 0.000 1.481 75 N HN 0.567 nan 8.380 nan 0.000 0.546 76 E N -0.229 119.851 120.200 -0.201 0.000 2.416 76 E HA 0.211 4.561 4.350 -0.000 0.000 0.273 76 E C -0.913 175.647 176.600 -0.067 0.000 0.935 76 E CA -1.004 55.337 56.400 -0.099 0.000 0.784 76 E CB 1.964 31.615 29.700 -0.081 0.000 1.301 76 E HN 0.109 nan 8.360 nan 0.000 0.454 77 K N 1.171 121.549 120.400 -0.037 0.000 2.339 77 K HA 0.319 4.639 4.320 -0.000 0.000 0.286 77 K C -0.742 175.846 176.600 -0.020 0.000 1.050 77 K CA -0.145 56.128 56.287 -0.022 0.000 0.956 77 K CB 0.704 33.196 32.500 -0.013 0.000 0.990 77 K HN 0.568 nan 8.250 nan 0.000 0.475 78 A N 4.475 127.286 122.820 -0.014 0.000 2.409 78 A HA 0.086 4.406 4.320 -0.000 0.000 0.267 78 A C 0.608 178.189 177.584 -0.004 0.000 1.127 78 A CA -0.241 51.791 52.037 -0.008 0.000 0.795 78 A CB 0.430 19.427 19.000 -0.005 0.000 1.061 78 A HN 0.941 nan 8.150 nan 0.000 0.502 79 E N 0.871 121.070 120.200 -0.002 0.000 2.162 79 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 79 E C 0.506 177.106 176.600 0.001 0.000 0.953 79 E CA 1.337 57.736 56.400 -0.001 0.000 0.849 79 E CB 0.334 30.033 29.700 -0.001 0.000 0.810 79 E HN 0.820 nan 8.360 nan 0.000 0.470 80 S N -0.247 115.455 115.700 0.003 0.000 2.607 80 S HA 0.602 5.072 4.470 -0.000 0.000 0.273 80 S C -0.670 173.936 174.600 0.010 0.000 1.148 80 S CA -0.991 57.211 58.200 0.003 0.000 0.833 80 S CB 2.105 65.306 63.200 0.001 0.000 1.130 80 S HN 0.151 nan 8.310 nan 0.000 0.470 81 I N 0.845 121.419 120.570 0.007 0.000 2.545 81 I HA 0.554 4.724 4.170 -0.000 0.000 0.292 81 I C -1.843 174.271 176.117 -0.006 0.000 1.040 81 I CA -0.383 60.932 61.300 0.025 0.000 1.068 81 I CB 2.002 40.014 38.000 0.021 0.000 1.251 81 I HN 0.791 nan 8.210 nan 0.000 0.424 82 D N 9.502 129.899 120.400 -0.004 0.000 2.473 82 D HA 0.373 5.013 4.640 -0.000 0.000 0.226 82 D C -1.837 174.391 176.300 -0.120 0.000 1.089 82 D CA -2.392 51.570 54.000 -0.063 0.000 0.883 82 D CB 1.735 42.501 40.800 -0.057 0.000 1.029 82 D HN 0.357 nan 8.370 nan 0.000 0.517 83 P HA -0.065 nan 4.420 nan 0.000 0.221 83 P C 0.595 177.631 177.300 -0.439 0.000 1.150 83 P CA 0.700 63.509 63.100 -0.485 0.000 0.800 83 P CB 0.731 31.721 31.700 -1.184 0.000 0.787 84 D N 0.402 120.650 120.400 -0.253 0.000 2.149 84 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 84 D C 1.892 178.146 176.300 -0.076 0.000 0.972 84 D CA 1.221 55.199 54.000 -0.037 0.000 0.835 84 D CB -0.272 40.546 40.800 0.031 0.000 0.966 84 D HN 0.174 nan 8.370 nan 0.000 0.476 85 A N 0.616 123.362 122.820 -0.124 0.000 2.218 85 A HA -0.025 4.295 4.320 -0.000 0.000 0.209 85 A C 0.416 177.844 177.584 -0.260 0.000 1.168 85 A CA -0.044 51.909 52.037 -0.141 0.000 0.804 85 A CB -0.105 18.832 19.000 -0.105 0.000 0.834 85 A HN 0.095 nan 8.150 nan 0.000 0.482 86 N N 0.858 119.322 118.700 -0.394 0.000 2.727 86 N HA -0.129 4.611 4.740 -0.000 0.000 0.251 86 N C -0.088 174.811 175.510 -1.018 0.000 1.040 86 N CA 1.490 53.957 53.050 -0.972 0.000 0.712 86 N CB -1.864 36.120 38.487 -0.839 0.000 0.912 86 N HN 0.833 nan 8.380 nan 0.000 0.545 87 T N -3.949 110.350 114.554 -0.425 0.000 2.906 87 T HA 0.727 5.077 4.350 -0.000 0.000 0.295 87 T C -0.252 174.534 174.700 0.144 0.000 1.061 87 T CA -0.751 61.287 62.100 -0.103 0.000 1.000 87 T CB 2.906 71.729 68.868 -0.074 0.000 1.103 87 T HN -0.096 nan 8.240 nan 0.000 0.486 88 V N 1.978 121.988 119.914 0.160 0.000 2.540 88 V HA 0.625 4.745 4.120 -0.000 0.000 0.302 88 V C -0.095 176.034 176.094 0.058 0.000 1.035 88 V CA -0.700 61.670 62.300 0.116 0.000 0.873 88 V CB 2.136 34.025 31.823 0.110 0.000 0.992 88 V HN 1.170 nan 8.190 nan 0.000 0.428 89 T N 2.879 117.453 114.554 0.033 0.000 2.779 89 T HA 0.494 4.844 4.350 -0.000 0.000 0.280 89 T C 0.287 174.992 174.700 0.009 0.000 0.987 89 T CA -0.443 61.667 62.100 0.017 0.000 0.966 89 T CB 1.396 70.269 68.868 0.009 0.000 0.933 89 T HN 0.918 nan 8.240 nan 0.000 0.442 90 T N 0.783 115.338 114.554 0.003 0.000 2.788 90 T HA 0.220 4.570 4.350 -0.000 0.000 0.280 90 T C 1.351 176.046 174.700 -0.008 0.000 0.984 90 T CA -0.605 61.491 62.100 -0.007 0.000 0.972 90 T CB 0.844 69.701 68.868 -0.017 0.000 1.039 90 T HN 0.552 nan 8.240 nan 0.000 0.530 91 Q N 0.053 119.846 119.800 -0.012 0.000 2.226 91 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 91 Q C 2.178 178.173 176.000 -0.009 0.000 0.975 91 Q CA 1.623 57.420 55.803 -0.009 0.000 0.866 91 Q CB -0.291 28.441 28.738 -0.011 0.000 0.915 91 Q HN 0.896 nan 8.270 nan 0.000 0.440 92 S N -2.386 113.307 115.700 -0.011 0.000 2.528 92 S HA 0.189 4.659 4.470 -0.000 0.000 0.219 92 S C 1.310 175.906 174.600 -0.007 0.000 0.985 92 S CA 0.454 58.648 58.200 -0.010 0.000 0.914 92 S CB 0.732 63.925 63.200 -0.013 0.000 0.776 92 S HN 0.558 nan 8.310 nan 0.000 0.526 93 G N 0.880 109.677 108.800 -0.005 0.000 2.179 93 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 93 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 93 G C -0.074 174.826 174.900 -0.001 0.000 0.990 93 G CA -0.223 44.875 45.100 -0.003 0.000 0.646 93 G HN 0.507 nan 8.290 nan 0.000 0.517 94 K N 1.072 121.472 120.400 -0.001 0.000 2.472 94 K HA 0.218 4.538 4.320 -0.000 0.000 0.280 94 K C 0.319 176.926 176.600 0.011 0.000 1.028 94 K CA 0.505 56.794 56.287 0.003 0.000 1.045 94 K CB 0.342 32.843 32.500 0.001 0.000 0.902 94 K HN 0.194 nan 8.250 nan 0.000 0.478 95 K N 3.696 124.105 120.400 0.014 0.000 2.240 95 K HA 0.292 4.612 4.320 -0.000 0.000 0.271 95 K C -0.665 175.957 176.600 0.037 0.000 1.018 95 K CA -0.596 55.703 56.287 0.020 0.000 0.874 95 K CB 0.824 33.328 32.500 0.007 0.000 1.098 95 K HN 0.334 nan 8.250 nan 0.000 0.458 96 I N 3.151 123.756 120.570 0.059 0.000 2.382 96 I HA 0.132 4.302 4.170 -0.000 0.000 0.286 96 I C -0.002 176.178 176.117 0.104 0.000 1.002 96 I CA -0.397 60.964 61.300 0.101 0.000 1.135 96 I CB 1.589 39.662 38.000 0.121 0.000 1.288 96 I HN 0.449 nan 8.210 nan 0.000 0.448 97 E N 5.688 125.942 120.200 0.091 0.000 2.366 97 E HA 0.341 4.691 4.350 -0.000 0.000 0.266 97 E C -1.309 175.335 176.600 0.073 0.000 1.051 97 E CA -0.255 56.152 56.400 0.013 0.000 0.884 97 E CB 0.952 30.656 29.700 0.008 0.000 1.006 97 E HN 0.543 nan 8.360 nan 0.000 0.417 98 Y N -0.964 119.312 120.300 -0.041 0.000 2.524 98 Y HA 0.390 4.940 4.550 -0.000 0.000 0.347 98 Y C -0.087 175.769 175.900 -0.074 0.000 1.005 98 Y CA -1.040 56.987 58.100 -0.120 0.000 1.025 98 Y CB 1.194 39.567 38.460 -0.145 0.000 1.275 98 Y HN 0.291 nan 8.280 nan 0.000 0.460 99 D N 0.928 121.417 120.400 0.148 0.000 2.216 99 D HA 0.030 4.670 4.640 -0.000 0.000 0.208 99 D C -0.680 175.495 176.300 -0.209 0.000 0.960 99 D CA 1.457 55.434 54.000 -0.037 0.000 0.861 99 D CB 0.261 41.081 40.800 0.033 0.000 0.985 99 D HN 0.526 nan 8.370 nan 0.000 0.493 100 Y N -0.333 120.147 120.300 0.301 0.000 2.492 100 Y HA 0.454 5.004 4.550 -0.000 0.000 0.346 100 Y C -0.658 175.223 175.900 -0.031 0.000 0.997 100 Y CA -1.221 57.018 58.100 0.232 0.000 1.025 100 Y CB 2.139 40.709 38.460 0.184 0.000 1.263 100 Y HN -0.277 nan 8.280 nan 0.000 0.454 101 L N 3.043 124.219 121.223 -0.079 0.000 2.362 101 L HA 0.845 5.185 4.340 -0.000 0.000 0.275 101 L C -1.625 175.230 176.870 -0.026 0.000 0.998 101 L CA -0.720 53.877 54.840 -0.404 0.000 0.820 101 L CB 1.763 43.167 42.059 -1.092 0.000 1.270 101 L HN 0.444 nan 8.230 nan 0.000 0.415 102 V N 6.490 126.389 119.914 -0.025 0.000 2.378 102 V HA 0.456 4.576 4.120 -0.000 0.000 0.288 102 V C 0.044 176.146 176.094 0.013 0.000 1.016 102 V CA -0.416 61.919 62.300 0.059 0.000 0.840 102 V CB 1.384 33.230 31.823 0.039 0.000 0.994 102 V HN 0.600 nan 8.190 nan 0.000 0.431 103 I N 4.261 124.855 120.570 0.039 0.000 2.304 103 I HA 0.619 4.789 4.170 -0.000 0.000 0.291 103 I C 0.592 176.736 176.117 0.044 0.000 1.018 103 I CA -0.076 61.237 61.300 0.022 0.000 1.260 103 I CB 1.402 39.411 38.000 0.015 0.000 1.390 103 I HN 0.698 nan 8.210 nan 0.000 0.475 104 A N 3.528 126.365 122.820 0.028 0.000 3.234 104 A HA 0.249 4.569 4.320 -0.000 0.000 0.247 104 A C 0.889 178.480 177.584 0.013 0.000 0.938 104 A CA -0.355 51.700 52.037 0.029 0.000 1.039 104 A CB -0.350 18.668 19.000 0.030 0.000 1.197 104 A HN 0.726 nan 8.150 nan 0.000 0.498 105 T N -2.780 111.774 114.554 0.001 0.000 3.113 105 T HA 0.429 4.779 4.350 -0.000 0.000 0.256 105 T C 1.325 176.000 174.700 -0.041 0.000 1.131 105 T CA 0.967 63.059 62.100 -0.013 0.000 1.074 105 T CB -0.273 68.586 68.868 -0.015 0.000 0.944 105 T HN 2.080 nan 8.240 nan 0.000 0.516 106 G N 2.441 111.207 108.800 -0.057 0.000 2.645 106 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.239 106 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.239 106 G C -2.874 171.911 174.900 -0.191 0.000 1.331 106 G CA -0.517 44.508 45.100 -0.125 0.000 0.890 106 G HN 0.531 nan 8.290 nan 0.000 0.572 107 P HA 0.388 nan 4.420 nan 0.000 0.282 107 P C -0.791 176.349 177.300 -0.266 0.000 1.249 107 P CA -0.381 62.432 63.100 -0.479 0.000 0.806 107 P CB 1.424 32.308 31.700 -1.360 0.000 0.984 108 K N 3.391 123.706 120.400 -0.142 0.000 2.227 108 K HA 0.323 4.643 4.320 -0.000 0.000 0.280 108 K C -0.379 176.191 176.600 -0.049 0.000 1.041 108 K CA -0.591 55.657 56.287 -0.065 0.000 0.905 108 K CB 0.173 32.662 32.500 -0.019 0.000 1.068 108 K HN 0.449 nan 8.250 nan 0.000 0.470 109 L N 4.618 125.802 121.223 -0.064 0.000 2.319 109 L HA 0.270 4.610 4.340 -0.000 0.000 0.280 109 L C -0.530 176.182 176.870 -0.264 0.000 1.099 109 L CA -0.954 53.774 54.840 -0.187 0.000 0.828 109 L CB 1.306 43.164 42.059 -0.335 0.000 1.150 109 L HN 0.343 nan 8.230 nan 0.000 0.442 110 V N 3.951 123.683 119.914 -0.304 0.000 2.350 110 V HA 0.251 4.370 4.120 -0.000 0.000 0.285 110 V C -0.282 175.613 176.094 -0.331 0.000 1.014 110 V CA -0.343 61.835 62.300 -0.204 0.000 0.831 110 V CB 0.956 32.731 31.823 -0.080 0.000 1.000 110 V HN 0.415 nan 8.190 nan 0.000 0.433 111 F N 3.321 123.254 119.950 -0.028 0.000 2.605 111 F HA 0.367 4.894 4.527 -0.000 0.000 0.352 111 F C 1.676 177.440 175.800 -0.062 0.000 1.236 111 F CA -0.299 57.667 58.000 -0.057 0.000 1.267 111 F CB 0.454 39.414 39.000 -0.067 0.000 1.632 111 F HN 0.592 nan 8.300 nan 0.000 0.639 112 G N 1.409 110.220 108.800 0.019 0.000 2.443 112 G HA2 0.044 4.004 3.960 -0.000 0.000 0.219 112 G HA3 0.044 4.004 3.960 -0.000 0.000 0.219 112 G C 0.890 175.778 174.900 -0.019 0.000 1.131 112 G CA 0.394 45.490 45.100 -0.008 0.000 0.775 112 G HN 0.617 nan 8.290 nan 0.000 0.547 113 A N 0.310 123.107 122.820 -0.039 0.000 2.425 113 A HA 0.509 4.829 4.320 -0.000 0.000 0.249 113 A C 0.139 177.688 177.584 -0.058 0.000 1.084 113 A CA -0.355 51.634 52.037 -0.080 0.000 0.781 113 A CB 0.449 19.348 19.000 -0.168 0.000 1.019 113 A HN 0.228 nan 8.150 nan 0.000 0.490 114 E N 1.115 121.276 120.200 -0.064 0.000 2.415 114 E HA 0.382 4.732 4.350 -0.000 0.000 0.260 114 E C 1.213 177.772 176.600 -0.068 0.000 1.016 114 E CA 1.565 57.933 56.400 -0.054 0.000 0.924 114 E CB -0.169 29.500 29.700 -0.051 0.000 0.961 114 E HN 1.483 nan 8.360 nan 0.000 0.459 115 G N 3.718 112.482 108.800 -0.062 0.000 2.176 115 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.253 115 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.253 115 G C 0.960 175.802 174.900 -0.096 0.000 0.979 115 G CA 0.618 45.672 45.100 -0.076 0.000 0.641 115 G HN 0.606 nan 8.290 nan 0.000 0.530 116 Q N 0.123 119.873 119.800 -0.083 0.000 2.002 116 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 116 Q C 2.224 178.125 176.000 -0.165 0.000 0.988 116 Q CA 2.002 57.758 55.803 -0.079 0.000 0.843 116 Q CB -0.262 28.488 28.738 0.019 0.000 0.908 116 Q HN 0.697 nan 8.270 nan 0.000 0.420 117 E N -0.608 119.431 120.200 -0.269 0.000 2.160 117 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 117 E C 1.544 177.920 176.600 -0.374 0.000 0.991 117 E CA 1.462 57.475 56.400 -0.646 0.000 0.810 117 E CB 0.208 29.517 29.700 -0.652 0.000 0.742 117 E HN 0.389 nan 8.360 nan 0.000 0.466 118 E N -0.288 119.782 120.200 -0.218 0.000 2.102 118 E HA -0.017 4.333 4.350 -0.000 0.000 0.190 118 E C 1.282 177.806 176.600 -0.126 0.000 0.971 118 E CA 1.188 57.499 56.400 -0.148 0.000 0.821 118 E CB 0.120 29.757 29.700 -0.104 0.000 0.777 118 E HN 0.270 nan 8.360 nan 0.000 0.460 119 N N -0.861 117.764 118.700 -0.124 0.000 2.348 119 N HA 0.101 4.841 4.740 -0.000 0.000 0.183 119 N C 0.293 175.728 175.510 -0.125 0.000 1.094 119 N CA -0.057 52.931 53.050 -0.104 0.000 0.885 119 N CB 0.755 39.190 38.487 -0.086 0.000 1.065 119 N HN -0.115 nan 8.380 nan 0.000 0.472 120 S N -0.099 115.516 115.700 -0.141 0.000 2.745 120 S HA 0.461 4.931 4.470 -0.000 0.000 0.292 120 S C -0.106 174.382 174.600 -0.188 0.000 1.133 120 S CA -0.715 57.394 58.200 -0.152 0.000 0.998 120 S CB 0.783 63.951 63.200 -0.053 0.000 1.087 120 S HN 0.237 nan 8.310 nan 0.000 0.551 121 T N -0.181 114.229 114.554 -0.239 0.000 2.950 121 T HA 0.799 5.149 4.350 -0.000 0.000 0.288 121 T C -0.425 174.186 174.700 -0.148 0.000 1.035 121 T CA -0.638 61.345 62.100 -0.195 0.000 1.028 121 T CB 1.281 70.022 68.868 -0.212 0.000 1.109 121 T HN 0.770 nan 8.240 nan 0.000 0.514 122 S N 0.140 115.776 115.700 -0.108 0.000 2.651 122 S HA 0.645 5.115 4.470 -0.000 0.000 0.279 122 S C 0.129 174.697 174.600 -0.054 0.000 1.148 122 S CA -0.888 57.263 58.200 -0.083 0.000 0.837 122 S CB 1.169 64.377 63.200 0.013 0.000 1.138 122 S HN 1.283 nan 8.310 nan 0.000 0.478 123 I N -2.822 117.730 120.570 -0.030 0.000 3.994 123 I HA 0.408 4.578 4.170 -0.000 0.000 0.323 123 I C 0.896 177.126 176.117 0.190 0.000 1.501 123 I CA -0.444 60.881 61.300 0.040 0.000 1.112 123 I CB -0.012 37.956 38.000 -0.054 0.000 1.254 123 I HN 0.578 nan 8.210 nan 0.000 0.495 124 C N 1.651 121.065 119.300 0.190 0.000 2.468 124 C HA 0.162 4.622 4.460 -0.000 0.000 0.277 124 C C 1.586 176.804 174.990 0.380 0.000 1.400 124 C CA 1.500 60.674 59.018 0.260 0.000 1.770 124 C CB -0.880 26.968 27.740 0.179 0.000 1.905 124 C HN 0.737 nan 8.230 nan 0.000 0.519 125 T N -3.354 111.379 114.554 0.298 0.000 2.924 125 T HA 0.634 4.984 4.350 -0.000 0.000 0.291 125 T C 0.864 175.349 174.700 -0.359 0.000 1.045 125 T CA 0.072 62.255 62.100 0.137 0.000 1.015 125 T CB 1.630 70.601 68.868 0.172 0.000 1.103 125 T HN 0.097 nan 8.240 nan 0.000 0.496 126 A N 0.922 123.270 122.820 -0.787 0.000 1.908 126 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 126 A C 2.033 179.427 177.584 -0.318 0.000 1.181 126 A CA 1.907 53.494 52.037 -0.750 0.000 0.627 126 A CB -1.108 17.690 19.000 -0.336 0.000 0.818 126 A HN 0.927 nan 8.150 nan 0.000 0.445 127 E N -0.509 119.554 120.200 -0.229 0.000 2.051 127 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 127 E C 2.010 178.485 176.600 -0.209 0.000 0.991 127 E CA 1.517 57.777 56.400 -0.234 0.000 0.799 127 E CB -0.384 29.166 29.700 -0.249 0.000 0.748 127 E HN 0.715 nan 8.360 nan 0.000 0.449 128 H N -0.313 118.713 119.070 -0.072 0.000 2.357 128 H HA 0.074 4.630 4.556 -0.000 0.000 0.301 128 H C 2.029 177.325 175.328 -0.054 0.000 1.082 128 H CA 1.367 57.392 56.048 -0.039 0.000 1.342 128 H CB -0.372 29.406 29.762 0.027 0.000 1.389 128 H HN 0.230 nan 8.280 nan 0.000 0.511 129 A N 1.137 123.976 122.820 0.031 0.000 1.908 129 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 129 A C 2.692 180.287 177.584 0.018 0.000 1.181 129 A CA 1.201 53.243 52.037 0.010 0.000 0.627 129 A CB -0.927 18.056 19.000 -0.029 0.000 0.818 129 A HN 0.290 nan 8.150 nan 0.000 0.445 130 L N -0.624 120.584 121.223 -0.025 0.000 2.131 130 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 130 L C 2.552 179.425 176.870 0.004 0.000 1.092 130 L CA 1.098 55.929 54.840 -0.014 0.000 0.759 130 L CB -0.439 41.578 42.059 -0.071 0.000 0.903 130 L HN 0.320 nan 8.230 nan 0.000 0.435 131 E N -0.410 119.791 120.200 0.000 0.000 2.107 131 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 131 E C 2.225 178.859 176.600 0.057 0.000 0.982 131 E CA 1.483 57.894 56.400 0.019 0.000 0.809 131 E CB -0.454 29.253 29.700 0.013 0.000 0.756 131 E HN 0.421 nan 8.360 nan 0.000 0.459 132 T N 1.665 116.263 114.554 0.072 0.000 2.720 132 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 132 T C 1.920 176.718 174.700 0.163 0.000 1.037 132 T CA 1.675 63.851 62.100 0.128 0.000 1.144 132 T CB -0.197 68.710 68.868 0.064 0.000 0.864 132 T HN 0.239 nan 8.240 nan 0.000 0.444 133 Q N 0.934 120.804 119.800 0.117 0.000 2.077 133 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 133 Q C 2.152 178.202 176.000 0.083 0.000 0.989 133 Q CA 1.675 57.543 55.803 0.108 0.000 0.853 133 Q CB -0.080 28.716 28.738 0.098 0.000 0.907 133 Q HN 0.484 nan 8.270 nan 0.000 0.418 134 K N 0.183 120.625 120.400 0.069 0.000 2.097 134 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 134 K C 2.125 178.753 176.600 0.046 0.000 1.049 134 K CA 1.294 57.613 56.287 0.053 0.000 0.933 134 K CB -0.098 32.425 32.500 0.038 0.000 0.717 134 K HN 0.082 nan 8.250 nan 0.000 0.442 135 K N 1.080 121.530 120.400 0.084 0.000 2.217 135 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 135 K C 1.927 178.549 176.600 0.037 0.000 1.051 135 K CA 0.602 56.965 56.287 0.127 0.000 0.952 135 K CB 0.098 32.741 32.500 0.238 0.000 0.736 135 K HN 0.081 nan 8.250 nan 0.000 0.453 136 L N 0.785 121.947 121.223 -0.102 0.000 2.141 136 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 136 L C 2.414 178.844 176.870 -0.733 0.000 1.094 136 L CA 0.804 55.306 54.840 -0.563 0.000 0.763 136 L CB -0.231 41.566 42.059 -0.436 0.000 0.908 136 L HN 0.224 nan 8.230 nan 0.000 0.437 137 Q N -0.295 119.359 119.800 -0.245 0.000 2.170 137 Q HA -0.251 4.089 4.340 -0.000 0.000 0.203 137 Q C 1.980 177.939 176.000 -0.069 0.000 0.976 137 Q CA 1.371 57.153 55.803 -0.035 0.000 0.858 137 Q CB -0.135 28.651 28.738 0.080 0.000 0.907 137 Q HN 0.426 nan 8.270 nan 0.000 0.433 138 E N 0.993 121.136 120.200 -0.095 0.000 2.072 138 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 138 E C 1.862 178.404 176.600 -0.096 0.000 0.985 138 E CA 0.632 57.002 56.400 -0.051 0.000 0.801 138 E CB -0.407 29.290 29.700 -0.006 0.000 0.750 138 E HN 0.235 nan 8.360 nan 0.000 0.452 139 L N -0.086 120.994 121.223 -0.239 0.000 2.042 139 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 139 L C 2.095 178.864 176.870 -0.168 0.000 1.076 139 L CA 1.866 56.548 54.840 -0.264 0.000 0.749 139 L CB -0.753 40.999 42.059 -0.513 0.000 0.893 139 L HN 0.314 nan 8.230 nan 0.000 0.432 140 Y N -0.792 119.467 120.300 -0.068 0.000 2.274 140 Y HA -0.189 4.361 4.550 -0.000 0.000 0.290 140 Y C 2.484 178.367 175.900 -0.027 0.000 1.145 140 Y CA 0.535 58.606 58.100 -0.049 0.000 1.203 140 Y CB -0.603 37.835 38.460 -0.037 0.000 0.984 140 Y HN 0.357 nan 8.280 nan 0.000 0.533 141 A N 0.106 122.993 122.820 0.111 0.000 1.874 141 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 141 A C 0.918 178.524 177.584 0.036 0.000 1.189 141 A CA 0.952 53.030 52.037 0.067 0.000 0.615 141 A CB -0.240 18.791 19.000 0.051 0.000 0.830 141 A HN 0.297 nan 8.150 nan 0.000 0.443 142 N N 0.888 119.598 118.700 0.018 0.000 2.776 142 N HA 0.306 5.046 4.740 -0.000 0.000 0.245 142 N C -3.105 172.404 175.510 -0.002 0.000 1.121 142 N CA -1.149 51.905 53.050 0.007 0.000 0.852 142 N CB 1.118 39.610 38.487 0.008 0.000 1.142 142 N HN 0.127 nan 8.380 nan 0.000 0.514 143 P HA 0.171 nan 4.420 nan 0.000 0.268 143 P C 0.233 177.524 177.300 -0.015 0.000 1.205 143 P CA 0.118 63.207 63.100 -0.018 0.000 0.771 143 P CB 0.950 32.625 31.700 -0.042 0.000 0.858 144 G N 2.216 111.016 108.800 -0.000 0.000 2.600 144 G HA2 0.502 4.462 3.960 -0.000 0.000 0.293 144 G HA3 0.502 4.462 3.960 -0.000 0.000 0.293 144 G C -3.265 171.659 174.900 0.040 0.000 1.408 144 G CA -1.179 43.931 45.100 0.017 0.000 0.782 144 G HN 0.215 nan 8.290 nan 0.000 0.482 145 P HA 0.288 nan 4.420 nan 0.000 0.265 145 P C -0.377 176.992 177.300 0.114 0.000 1.193 145 P CA 0.034 63.175 63.100 0.069 0.000 0.765 145 P CB 1.357 33.095 31.700 0.062 0.000 0.823 146 V N 4.671 124.661 119.914 0.126 0.000 2.459 146 V HA 0.321 4.441 4.120 -0.000 0.000 0.295 146 V C 0.278 176.462 176.094 0.151 0.000 1.029 146 V CA -0.615 61.803 62.300 0.197 0.000 0.874 146 V CB 2.178 34.126 31.823 0.209 0.000 0.985 146 V HN 0.264 nan 8.190 nan 0.000 0.438 147 V N 6.513 126.517 119.914 0.151 0.000 2.531 147 V HA 0.581 4.701 4.120 -0.000 0.000 0.301 147 V C -0.418 175.624 176.094 -0.088 0.000 1.034 147 V CA -0.355 62.000 62.300 0.092 0.000 0.865 147 V CB 1.743 33.683 31.823 0.196 0.000 0.995 147 V HN 0.689 nan 8.190 nan 0.000 0.424 148 I N 3.167 123.565 120.570 -0.287 0.000 2.689 148 I HA 0.959 5.129 4.170 -0.000 0.000 0.299 148 I C 0.631 176.027 176.117 -1.203 0.000 1.059 148 I CA -0.131 60.797 61.300 -0.621 0.000 1.055 148 I CB 2.384 40.347 38.000 -0.063 0.000 1.243 148 I HN 0.849 nan 8.210 nan 0.000 0.425 149 G N 3.110 110.956 108.800 -1.590 0.000 2.455 149 G HA2 0.589 4.549 3.960 -0.000 0.000 0.223 149 G HA3 0.589 4.549 3.960 -0.000 0.000 0.223 149 G C -2.139 172.382 174.900 -0.631 0.000 1.226 149 G CA 0.098 44.381 45.100 -1.362 0.000 0.948 149 G HN 0.885 nan 8.290 nan 0.000 0.478 150 A N -0.262 122.474 122.820 -0.140 0.000 2.422 150 A HA 0.794 5.114 4.320 -0.000 0.000 0.302 150 A C 0.051 177.731 177.584 0.160 0.000 1.041 150 A CA -0.209 51.866 52.037 0.063 0.000 0.708 150 A CB 0.816 19.850 19.000 0.058 0.000 1.257 150 A HN 1.849 nan 8.150 nan 0.000 0.414 151 I N -0.423 120.192 120.570 0.075 0.000 3.156 151 I HA 0.568 4.738 4.170 -0.000 0.000 0.306 151 I C -2.478 173.631 176.117 -0.013 0.000 1.048 151 I CA -2.498 58.798 61.300 -0.006 0.000 1.207 151 I CB 0.440 38.398 38.000 -0.071 0.000 1.456 151 I HN 0.247 nan 8.210 nan 0.000 0.616 152 P HA 0.115 nan 4.420 nan 0.000 0.266 152 P C 0.598 177.872 177.300 -0.044 0.000 1.195 152 P CA 1.037 64.131 63.100 -0.009 0.000 0.768 152 P CB 0.629 32.322 31.700 -0.011 0.000 0.838 153 G N 0.629 109.411 108.800 -0.030 0.000 2.179 153 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 153 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 153 G C 0.206 175.007 174.900 -0.165 0.000 0.977 153 G CA -0.069 44.992 45.100 -0.066 0.000 0.641 153 G HN 0.550 nan 8.290 nan 0.000 0.533 154 V N 1.852 121.621 119.914 -0.242 0.000 2.763 154 V HA 0.472 4.592 4.120 -0.000 0.000 0.306 154 V C 1.096 176.834 176.094 -0.592 0.000 1.059 154 V CA 0.931 62.884 62.300 -0.578 0.000 1.138 154 V CB 1.343 32.701 31.823 -0.775 0.000 0.940 154 V HN 1.128 nan 8.190 nan 0.000 0.489 158 G N 2.298 111.343 108.800 0.410 0.000 2.513 158 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 158 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 158 G C -0.837 174.253 174.900 0.316 0.000 1.160 158 G CA 1.764 47.010 45.100 0.243 0.000 0.767 158 G HN 0.243 nan 8.290 nan 0.000 0.571 159 P HA -0.011 nan 4.420 nan 0.000 0.218 159 P C 2.092 179.564 177.300 0.287 0.000 1.148 159 P CA 1.805 65.034 63.100 0.215 0.000 0.822 159 P CB -0.141 31.642 31.700 0.139 0.000 0.784 160 A N -1.430 121.566 122.820 0.293 0.000 1.898 160 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 160 A C 2.043 179.920 177.584 0.489 0.000 1.181 160 A CA 1.368 53.592 52.037 0.311 0.000 0.620 160 A CB -1.850 17.252 19.000 0.171 0.000 0.819 160 A HN 0.116 nan 8.150 nan 0.000 0.442 161 Y N 0.295 120.900 120.300 0.509 0.000 2.181 161 Y HA -0.190 4.360 4.550 -0.000 0.000 0.288 161 Y C 2.537 178.658 175.900 0.368 0.000 1.146 161 Y CA 1.781 60.089 58.100 0.346 0.000 1.164 161 Y CB -0.357 38.265 38.460 0.270 0.000 0.982 161 Y HN 0.409 nan 8.280 nan 0.000 0.515 162 E N -0.656 119.858 120.200 0.523 0.000 2.038 162 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 162 E C 2.013 178.803 176.600 0.316 0.000 1.000 162 E CA 1.573 58.224 56.400 0.418 0.000 0.803 162 E CB -0.496 29.364 29.700 0.266 0.000 0.750 162 E HN 0.464 nan 8.360 nan 0.000 0.448 163 F N 1.295 121.346 119.950 0.169 0.000 2.134 163 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 163 F C 2.248 178.122 175.800 0.123 0.000 1.097 163 F CA 1.366 59.420 58.000 0.090 0.000 1.264 163 F CB -0.160 38.888 39.000 0.081 0.000 1.001 163 F HN -0.046 nan 8.300 nan 0.000 0.479 164 A N 0.496 123.455 122.820 0.232 0.000 1.883 164 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 164 A C 2.178 179.782 177.584 0.033 0.000 1.186 164 A CA 2.022 54.127 52.037 0.113 0.000 0.624 164 A CB -1.176 17.932 19.000 0.181 0.000 0.822 164 A HN 0.485 nan 8.150 nan 0.000 0.444 165 L N -1.345 119.950 121.223 0.119 0.000 2.109 165 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 165 L C 2.816 179.828 176.870 0.237 0.000 1.086 165 L CA 1.129 56.058 54.840 0.149 0.000 0.760 165 L CB -0.357 41.767 42.059 0.108 0.000 0.910 165 L HN 0.384 nan 8.230 nan 0.000 0.437 166 M N -1.030 118.661 119.600 0.153 0.000 2.117 166 M HA -0.227 4.253 4.480 -0.000 0.000 0.262 166 M C 2.238 178.586 176.300 0.081 0.000 1.065 166 M CA 1.565 56.947 55.300 0.136 0.000 1.114 166 M CB -0.337 32.119 32.600 -0.240 0.000 1.361 166 M HN 0.226 nan 8.290 nan 0.000 0.408 167 L N -0.351 120.761 121.223 -0.186 0.000 2.056 167 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 167 L C 2.422 179.313 176.870 0.035 0.000 1.078 167 L CA 2.169 56.896 54.840 -0.188 0.000 0.749 167 L CB -1.003 40.802 42.059 -0.423 0.000 0.901 167 L HN 0.326 nan 8.230 nan 0.000 0.433 168 H N -1.754 117.318 119.070 0.003 0.000 2.319 168 H HA -0.314 4.242 4.556 -0.000 0.000 0.297 168 H C 2.127 177.518 175.328 0.105 0.000 1.097 168 H CA 2.508 58.581 56.048 0.042 0.000 1.285 168 H CB -0.584 29.191 29.762 0.022 0.000 1.368 168 H HN 0.513 nan 8.280 nan 0.000 0.495 169 Y N 0.952 121.265 120.300 0.022 0.000 2.128 169 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 169 Y C 2.611 178.509 175.900 -0.003 0.000 1.154 169 Y CA 2.224 60.331 58.100 0.011 0.000 1.149 169 Y CB -0.356 38.216 38.460 0.186 0.000 0.976 169 Y HN 0.395 nan 8.280 nan 0.000 0.505 170 E N 0.326 120.649 120.200 0.204 0.000 2.110 170 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 170 E C 2.003 178.534 176.600 -0.115 0.000 0.988 170 E CA 1.815 58.275 56.400 0.099 0.000 0.804 170 E CB -0.561 29.299 29.700 0.267 0.000 0.745 170 E HN 0.627 nan 8.360 nan 0.000 0.458 171 L N 0.086 121.259 121.223 -0.082 0.000 2.141 171 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 171 L C 2.494 179.272 176.870 -0.152 0.000 1.094 171 L CA 1.261 56.050 54.840 -0.085 0.000 0.763 171 L CB -0.313 41.733 42.059 -0.021 0.000 0.908 171 L HN 0.070 nan 8.230 nan 0.000 0.437 172 K N -0.266 119.973 120.400 -0.269 0.000 2.057 172 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 172 K C 2.171 178.614 176.600 -0.263 0.000 1.050 172 K CA 0.796 56.917 56.287 -0.277 0.000 0.935 172 K CB 0.033 32.302 32.500 -0.385 0.000 0.715 172 K HN 0.063 nan 8.250 nan 0.000 0.439 173 K N 0.934 121.116 120.400 -0.363 0.000 2.103 173 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 173 K C 1.946 178.425 176.600 -0.201 0.000 1.048 173 K CA 1.344 57.439 56.287 -0.320 0.000 0.930 173 K CB -0.147 32.116 32.500 -0.395 0.000 0.716 173 K HN 0.162 nan 8.250 nan 0.000 0.444 174 R N -0.719 119.669 120.500 -0.187 0.000 2.275 174 R HA 0.018 4.358 4.340 -0.000 0.000 0.199 174 R C 0.975 177.231 176.300 -0.072 0.000 0.989 174 R CA 0.607 56.622 56.100 -0.142 0.000 1.016 174 R CB 0.096 30.279 30.300 -0.195 0.000 0.918 174 R HN 0.344 nan 8.270 nan 0.000 0.473 175 G N 2.002 110.762 108.800 -0.066 0.000 2.176 175 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 175 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 175 G C 0.521 175.498 174.900 0.130 0.000 1.024 175 G CA 0.583 45.681 45.100 -0.002 0.000 0.755 175 G HN 0.532 nan 8.290 nan 0.000 0.507 176 I N -3.752 116.877 120.570 0.099 0.000 4.147 176 I HA 0.492 4.662 4.170 -0.000 0.000 0.329 176 I C 1.913 178.074 176.117 0.073 0.000 1.424 176 I CA -0.114 61.256 61.300 0.117 0.000 1.127 176 I CB 0.291 38.313 38.000 0.038 0.000 1.128 176 I HN 0.007 nan 8.210 nan 0.000 0.417 177 R N 2.559 123.117 120.500 0.097 0.000 2.105 177 R HA -0.235 4.105 4.340 -0.000 0.000 0.239 177 R C 2.081 178.454 176.300 0.123 0.000 1.135 177 R CA 2.483 58.626 56.100 0.071 0.000 0.967 177 R CB -1.148 29.157 30.300 0.008 0.000 0.861 177 R HN 0.774 nan 8.270 nan 0.000 0.442 178 Y N -1.278 119.024 120.300 0.005 0.000 2.680 178 Y HA 0.100 4.650 4.550 -0.000 0.000 0.303 178 Y C 0.801 176.712 175.900 0.018 0.000 1.166 178 Y CA 0.626 58.735 58.100 0.015 0.000 1.344 178 Y CB 0.000 38.466 38.460 0.008 0.000 1.002 178 Y HN -0.059 nan 8.280 nan 0.000 0.537 179 K N 0.428 120.583 120.400 -0.409 0.000 2.374 179 K HA 0.302 4.622 4.320 -0.000 0.000 0.202 179 K C -0.792 175.722 176.600 -0.143 0.000 1.040 179 K CA -0.012 56.048 56.287 -0.379 0.000 1.085 179 K CB 1.438 33.661 32.500 -0.461 0.000 0.873 179 K HN 0.085 nan 8.250 nan 0.000 0.539 180 V N 3.261 123.137 119.914 -0.063 0.000 2.327 180 V HA 0.229 4.349 4.120 -0.000 0.000 0.272 180 V C -2.624 173.484 176.094 0.024 0.000 1.019 180 V CA -2.140 60.156 62.300 -0.008 0.000 0.814 180 V CB 0.962 32.791 31.823 0.011 0.000 1.040 180 V HN -0.020 nan 8.190 nan 0.000 0.440 181 P HA 0.248 nan 4.420 nan 0.000 0.265 181 P C -0.454 176.876 177.300 0.049 0.000 1.193 181 P CA 0.343 63.465 63.100 0.037 0.000 0.765 181 P CB 0.427 32.147 31.700 0.033 0.000 0.823 182 M N 2.072 121.698 119.600 0.043 0.000 2.259 182 M HA 0.351 4.831 4.480 -0.000 0.000 0.304 182 M C -0.639 175.677 176.300 0.027 0.000 1.019 182 M CA -0.149 55.174 55.300 0.038 0.000 0.922 182 M CB 2.240 34.850 32.600 0.017 0.000 1.600 182 M HN 0.175 nan 8.290 nan 0.000 0.433 183 T N 2.460 117.047 114.554 0.056 0.000 2.861 183 T HA 0.570 4.920 4.350 -0.000 0.000 0.287 183 T C -1.492 173.277 174.700 0.115 0.000 1.003 183 T CA -0.471 61.678 62.100 0.082 0.000 0.977 183 T CB 1.579 70.494 68.868 0.077 0.000 0.996 183 T HN 0.445 nan 8.240 nan 0.000 0.448 184 F N 3.827 123.785 119.950 0.012 0.000 2.426 184 F HA 0.684 5.211 4.527 -0.000 0.000 0.348 184 F C -0.995 174.862 175.800 0.094 0.000 1.124 184 F CA -1.084 56.925 58.000 0.016 0.000 1.008 184 F CB 0.577 39.618 39.000 0.069 0.000 1.139 184 F HN 0.424 nan 8.300 nan 0.000 0.452 185 I N 5.541 125.915 120.570 -0.327 0.000 2.389 185 I HA 0.359 4.529 4.170 -0.000 0.000 0.288 185 I C -0.376 175.622 176.117 -0.198 0.000 0.999 185 I CA -0.512 60.710 61.300 -0.129 0.000 1.129 185 I CB 2.017 40.018 38.000 0.001 0.000 1.288 185 I HN 0.505 nan 8.210 nan 0.000 0.444 186 T N 2.252 116.782 114.554 -0.039 0.000 2.909 186 T HA 0.231 4.581 4.350 -0.000 0.000 0.299 186 T C 0.853 175.585 174.700 0.054 0.000 1.073 186 T CA -0.458 61.657 62.100 0.026 0.000 0.999 186 T CB 1.587 70.532 68.868 0.128 0.000 1.098 186 T HN 0.685 nan 8.240 nan 0.000 0.477 187 S N 2.243 118.008 115.700 0.108 0.000 2.481 187 S HA 0.101 4.571 4.470 -0.000 0.000 0.231 187 S C 0.555 175.116 174.600 -0.065 0.000 0.996 187 S CA 0.084 58.321 58.200 0.062 0.000 0.942 187 S CB -0.424 62.850 63.200 0.123 0.000 0.768 187 S HN 0.795 nan 8.310 nan 0.000 0.520 188 E N 2.971 123.056 120.200 -0.192 0.000 2.442 188 E HA 0.042 4.392 4.350 -0.000 0.000 0.262 188 E C -1.537 174.825 176.600 -0.396 0.000 1.004 188 E CA -1.378 54.705 56.400 -0.528 0.000 0.928 188 E CB 0.427 29.732 29.700 -0.658 0.000 0.937 188 E HN 0.217 nan 8.360 nan 0.000 0.446 189 P HA -0.123 nan 4.420 nan 0.000 0.223 189 P C -0.683 176.582 177.300 -0.059 0.000 1.151 189 P CA 1.393 64.342 63.100 -0.251 0.000 0.787 189 P CB -0.004 31.555 31.700 -0.237 0.000 0.788 190 Y N -4.175 116.024 120.300 -0.169 0.000 2.656 190 Y HA 0.555 5.105 4.550 -0.000 0.000 0.334 190 Y C -0.720 175.009 175.900 -0.286 0.000 1.179 190 Y CA -2.309 55.690 58.100 -0.169 0.000 1.050 190 Y CB -0.236 38.134 38.460 -0.151 0.000 1.308 190 Y HN -0.420 nan 8.280 nan 0.000 0.456 191 L N 2.716 123.797 121.223 -0.237 0.000 2.490 191 L HA 0.416 4.756 4.340 -0.000 0.000 0.274 191 L C 1.317 177.882 176.870 -0.508 0.000 1.201 191 L CA 1.605 56.182 54.840 -0.437 0.000 0.869 191 L CB 0.096 41.666 42.059 -0.815 0.000 1.123 191 L HN 1.140 nan 8.230 nan 0.000 0.484 192 G N 1.510 109.735 108.800 -0.958 0.000 2.198 192 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 192 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 192 G C 1.187 175.225 174.900 -1.437 0.000 1.025 192 G CA 0.658 44.725 45.100 -1.722 0.000 0.769 192 G HN 0.888 nan 8.290 nan 0.000 0.507 193 H N -0.310 118.023 119.070 -1.228 0.000 2.372 193 H HA 0.013 4.569 4.556 -0.000 0.000 0.301 193 H C 2.061 176.978 175.328 -0.686 0.000 1.065 193 H CA 1.862 57.317 56.048 -0.988 0.000 1.364 193 H CB -0.080 28.915 29.762 -1.278 0.000 1.406 193 H HN 0.809 nan 8.280 nan 0.000 0.521 194 F N -0.890 118.817 119.950 -0.404 0.000 2.973 194 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 194 F C 1.559 177.349 175.800 -0.017 0.000 0.737 194 F CA 1.471 59.334 58.000 -0.229 0.000 1.151 194 F CB -2.003 36.849 39.000 -0.246 0.000 1.440 194 F HN 0.452 nan 8.300 nan 0.000 0.367 195 G N -0.796 108.073 108.800 0.115 0.000 2.153 195 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.252 195 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.252 195 G C 0.529 175.446 174.900 0.028 0.000 0.994 195 G CA 0.502 45.754 45.100 0.254 0.000 0.698 195 G HN 1.149 nan 8.290 nan 0.000 0.521 196 V N -0.756 118.991 119.914 -0.278 0.000 3.382 196 V HA 0.550 4.670 4.120 -0.000 0.000 0.296 196 V C 1.749 177.626 176.094 -0.362 0.000 1.529 196 V CA 1.718 63.888 62.300 -0.218 0.000 1.048 196 V CB 0.074 31.843 31.823 -0.090 0.000 0.878 196 V HN 2.129 nan 8.190 nan 0.000 0.442 197 G N 0.558 108.840 108.800 -0.863 0.000 2.176 197 G HA2 0.104 4.064 3.960 -0.000 0.000 0.252 197 G HA3 0.104 4.064 3.960 -0.000 0.000 0.252 197 G C 1.097 175.850 174.900 -0.244 0.000 1.024 197 G CA 0.442 45.224 45.100 -0.531 0.000 0.755 197 G HN 2.079 nan 8.290 nan 0.000 0.507 198 G N -1.467 107.128 108.800 -0.342 0.000 2.733 198 G HA2 0.130 4.090 3.960 -0.000 0.000 0.686 198 G HA3 0.130 4.090 3.960 -0.000 0.000 0.686 198 G C -0.411 174.461 174.900 -0.047 0.000 1.373 198 G CA -0.225 44.801 45.100 -0.123 0.000 0.838 198 G HN 1.339 nan 8.290 nan 0.000 0.588 199 I N 2.706 123.297 120.570 0.035 0.000 2.448 199 I HA 0.547 4.717 4.170 -0.000 0.000 0.281 199 I C 1.236 177.439 176.117 0.142 0.000 1.027 199 I CA 0.358 61.711 61.300 0.088 0.000 1.111 199 I CB 0.872 38.954 38.000 0.137 0.000 1.236 199 I HN 1.935 nan 8.210 nan 0.000 0.452 200 G N 4.952 113.801 108.800 0.083 0.000 2.634 200 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.309 200 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.309 200 G C 0.570 175.504 174.900 0.057 0.000 1.265 200 G CA 0.313 45.459 45.100 0.077 0.000 0.998 200 G HN 0.956 nan 8.290 nan 0.000 0.551 201 A N 0.300 123.160 122.820 0.066 0.000 2.929 201 A HA 0.611 4.931 4.320 -0.000 0.000 0.279 201 A C 2.014 179.631 177.584 0.054 0.000 1.418 201 A CA 1.400 53.454 52.037 0.027 0.000 1.035 201 A CB -0.698 18.313 19.000 0.018 0.000 1.047 201 A HN 2.005 nan 8.150 nan 0.000 0.609 202 S N 0.276 116.034 115.700 0.096 0.000 2.399 202 S HA -0.241 4.229 4.470 -0.000 0.000 0.231 202 S C 1.876 176.418 174.600 -0.097 0.000 1.022 202 S CA 1.465 59.744 58.200 0.131 0.000 0.983 202 S CB -0.280 62.988 63.200 0.113 0.000 0.803 202 S HN 0.689 nan 8.310 nan 0.000 0.480 203 K N 1.405 121.714 120.400 -0.151 0.000 2.002 203 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 203 K C 2.603 179.071 176.600 -0.219 0.000 1.048 203 K CA 1.141 57.295 56.287 -0.222 0.000 0.930 203 K CB -0.268 32.070 32.500 -0.271 0.000 0.714 203 K HN 0.355 nan 8.250 nan 0.000 0.438 204 R N 0.773 121.188 120.500 -0.143 0.000 2.083 204 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 204 R C 2.561 178.810 176.300 -0.085 0.000 1.137 204 R CA 1.632 57.673 56.100 -0.097 0.000 0.951 204 R CB -0.416 29.851 30.300 -0.055 0.000 0.851 204 R HN 0.317 nan 8.270 nan 0.000 0.434 205 L N 0.332 121.526 121.223 -0.047 0.000 1.990 205 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 205 L C 2.127 178.937 176.870 -0.100 0.000 1.072 205 L CA 1.533 56.364 54.840 -0.014 0.000 0.755 205 L CB -0.211 41.902 42.059 0.091 0.000 0.889 205 L HN 0.086 nan 8.230 nan 0.000 0.432 206 V N -0.290 119.492 119.914 -0.220 0.000 2.358 206 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 206 V C 2.367 178.109 176.094 -0.586 0.000 1.047 206 V CA 1.911 63.921 62.300 -0.484 0.000 1.035 206 V CB -0.566 30.812 31.823 -0.742 0.000 0.658 206 V HN 0.479 nan 8.190 nan 0.000 0.452 207 E N 0.089 120.011 120.200 -0.465 0.000 2.070 207 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 207 E C 1.988 178.554 176.600 -0.055 0.000 1.004 207 E CA 1.745 57.959 56.400 -0.309 0.000 0.805 207 E CB -0.189 29.394 29.700 -0.195 0.000 0.744 207 E HN 0.583 nan 8.360 nan 0.000 0.451 208 D N 0.311 120.680 120.400 -0.052 0.000 2.117 208 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 208 D C 1.871 178.185 176.300 0.024 0.000 0.987 208 D CA 0.496 54.503 54.000 0.012 0.000 0.829 208 D CB -0.234 40.569 40.800 0.005 0.000 0.961 208 D HN 0.021 nan 8.370 nan 0.000 0.460 209 L N 0.019 121.227 121.223 -0.026 0.000 2.012 209 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 209 L C 2.016 178.956 176.870 0.116 0.000 1.073 209 L CA 1.510 56.340 54.840 -0.018 0.000 0.748 209 L CB -0.658 41.316 42.059 -0.142 0.000 0.891 209 L HN -0.060 nan 8.230 nan 0.000 0.431 210 F N -0.217 119.654 119.950 -0.131 0.000 2.134 210 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 210 F C 2.537 178.348 175.800 0.018 0.000 1.097 210 F CA 0.833 58.793 58.000 -0.065 0.000 1.264 210 F CB -1.601 37.389 39.000 -0.016 0.000 1.001 210 F HN 0.198 nan 8.300 nan 0.000 0.479 211 A N -0.034 122.940 122.820 0.256 0.000 1.877 211 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 211 A C 2.139 179.778 177.584 0.091 0.000 1.186 211 A CA 1.839 53.979 52.037 0.173 0.000 0.620 211 A CB -0.906 18.190 19.000 0.160 0.000 0.822 211 A HN 0.419 nan 8.150 nan 0.000 0.443 212 E N -0.807 119.433 120.200 0.067 0.000 2.204 212 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 212 E C 1.639 178.245 176.600 0.010 0.000 0.990 212 E CA 1.003 57.427 56.400 0.041 0.000 0.821 212 E CB -0.072 29.651 29.700 0.038 0.000 0.750 212 E HN 0.506 nan 8.360 nan 0.000 0.477 213 R N 0.333 120.795 120.500 -0.065 0.000 2.468 213 R HA 0.108 4.448 4.340 -0.000 0.000 0.280 213 R C -0.039 176.129 176.300 -0.220 0.000 0.963 213 R CA -0.143 55.800 56.100 -0.262 0.000 1.083 213 R CB 0.189 30.108 30.300 -0.636 0.000 1.200 213 R HN 0.014 nan 8.270 nan 0.000 0.541 214 N N 1.375 120.044 118.700 -0.052 0.000 2.725 214 N HA -0.196 4.544 4.740 -0.000 0.000 0.251 214 N C -1.141 174.340 175.510 -0.047 0.000 1.031 214 N CA 0.556 53.604 53.050 -0.003 0.000 0.720 214 N CB -0.911 37.604 38.487 0.046 0.000 0.930 214 N HN 0.308 nan 8.380 nan 0.000 0.543 215 I N 0.531 121.030 120.570 -0.119 0.000 2.297 215 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 215 I C 0.383 176.499 176.117 -0.002 0.000 1.033 215 I CA -0.738 60.428 61.300 -0.223 0.000 1.253 215 I CB 0.706 38.250 38.000 -0.762 0.000 1.396 215 I HN 0.080 nan 8.210 nan 0.000 0.476 216 D N 7.280 127.700 120.400 0.035 0.000 2.362 216 D HA 0.237 4.877 4.640 -0.000 0.000 0.242 216 D C -0.703 175.735 176.300 0.229 0.000 1.132 216 D CA 0.322 54.364 54.000 0.070 0.000 0.907 216 D CB 1.136 41.936 40.800 0.001 0.000 1.195 216 D HN 0.484 nan 8.370 nan 0.000 0.429 217 W N 0.491 121.866 121.300 0.126 0.000 3.127 217 W HA 0.608 5.268 4.660 -0.000 0.000 0.330 217 W C -1.796 174.783 176.519 0.101 0.000 1.187 217 W CA -1.002 56.464 57.345 0.200 0.000 1.198 217 W CB 0.341 30.040 29.460 0.397 0.000 1.408 217 W HN 0.108 nan 8.180 nan 0.000 0.529 218 I N 2.912 123.678 120.570 0.327 0.000 2.468 218 I HA 0.587 4.757 4.170 -0.000 0.000 0.285 218 I C 0.007 176.251 176.117 0.212 0.000 1.039 218 I CA -0.655 60.704 61.300 0.098 0.000 1.074 218 I CB 1.538 39.389 38.000 -0.248 0.000 1.228 218 I HN 0.582 nan 8.210 nan 0.000 0.436 219 A N 4.125 127.132 122.820 0.311 0.000 2.346 219 A HA 0.699 5.019 4.320 -0.000 0.000 0.313 219 A C 0.513 178.165 177.584 0.112 0.000 1.140 219 A CA -0.474 51.698 52.037 0.225 0.000 0.826 219 A CB 0.992 20.163 19.000 0.286 0.000 1.332 219 A HN 0.788 nan 8.150 nan 0.000 0.457 220 N N -2.122 116.605 118.700 0.045 0.000 2.747 220 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 220 N C -0.423 175.114 175.510 0.045 0.000 1.107 220 N CA 1.224 54.287 53.050 0.023 0.000 0.707 220 N CB -1.661 36.856 38.487 0.050 0.000 1.054 220 N HN 1.645 nan 8.380 nan 0.000 0.555 221 V N -3.875 116.063 119.914 0.040 0.000 3.074 221 V HA 0.991 5.111 4.120 -0.000 0.000 0.314 221 V C 0.068 176.209 176.094 0.079 0.000 1.117 221 V CA -0.645 61.707 62.300 0.086 0.000 1.014 221 V CB 2.137 34.005 31.823 0.074 0.000 1.057 221 V HN 0.308 nan 8.190 nan 0.000 0.438 222 A N 2.213 125.105 122.820 0.120 0.000 2.273 222 A HA 0.725 5.045 4.320 -0.000 0.000 0.320 222 A C -0.281 177.360 177.584 0.095 0.000 1.358 222 A CA -0.581 51.503 52.037 0.077 0.000 0.910 222 A CB 0.613 19.644 19.000 0.051 0.000 1.159 222 A HN 1.238 nan 8.150 nan 0.000 0.526 223 V N 4.630 124.566 119.914 0.037 0.000 2.450 223 V HA 0.029 4.149 4.120 -0.000 0.000 0.281 223 V C 0.950 177.002 176.094 -0.070 0.000 1.019 223 V CA 0.440 62.721 62.300 -0.031 0.000 1.062 223 V CB 0.496 32.184 31.823 -0.226 0.000 0.979 223 V HN 0.932 nan 8.190 nan 0.000 0.477 224 K N 3.408 123.778 120.400 -0.050 0.000 2.313 224 K HA 0.425 4.745 4.320 -0.000 0.000 0.197 224 K C 0.470 177.016 176.600 -0.090 0.000 1.061 224 K CA 0.815 57.065 56.287 -0.061 0.000 0.980 224 K CB 0.952 33.425 32.500 -0.045 0.000 0.888 224 K HN 0.713 nan 8.250 nan 0.000 0.502 225 A N 1.331 124.084 122.820 -0.112 0.000 2.547 225 A HA 0.586 4.906 4.320 -0.000 0.000 0.297 225 A C -1.277 176.214 177.584 -0.155 0.000 1.056 225 A CA -0.683 51.284 52.037 -0.118 0.000 0.688 225 A CB 1.275 20.225 19.000 -0.082 0.000 1.282 225 A HN 0.015 nan 8.150 nan 0.000 0.400 226 I N 2.362 122.836 120.570 -0.160 0.000 2.390 226 I HA 0.336 4.506 4.170 -0.000 0.000 0.283 226 I C 0.278 176.337 176.117 -0.097 0.000 1.016 226 I CA -0.037 61.170 61.300 -0.155 0.000 1.151 226 I CB 0.541 38.425 38.000 -0.193 0.000 1.293 226 I HN 0.765 nan 8.210 nan 0.000 0.458 227 E N 6.980 127.138 120.200 -0.070 0.000 2.280 227 E HA 0.309 4.659 4.350 -0.000 0.000 0.261 227 E C -1.529 175.046 176.600 -0.042 0.000 1.088 227 E CA -1.544 54.825 56.400 -0.051 0.000 0.915 227 E CB 1.047 30.724 29.700 -0.039 0.000 1.141 227 E HN 0.267 nan 8.360 nan 0.000 0.433 228 P HA -0.155 nan 4.420 nan 0.000 0.221 228 P C 0.221 177.515 177.300 -0.010 0.000 1.145 228 P CA 1.331 64.415 63.100 -0.025 0.000 0.795 228 P CB 0.176 31.863 31.700 -0.021 0.000 0.775 229 D N -2.045 118.352 120.400 -0.006 0.000 2.520 229 D HA 0.057 4.697 4.640 -0.000 0.000 0.223 229 D C 0.247 176.556 176.300 0.014 0.000 1.186 229 D CA 0.059 54.063 54.000 0.007 0.000 0.821 229 D CB 0.342 41.145 40.800 0.005 0.000 1.072 229 D HN 0.236 nan 8.370 nan 0.000 0.518 230 K N -0.946 119.458 120.400 0.007 0.000 2.597 230 K HA 0.579 4.899 4.320 -0.000 0.000 0.282 230 K C -1.643 174.962 176.600 0.009 0.000 0.975 230 K CA -0.987 55.311 56.287 0.019 0.000 0.867 230 K CB 1.980 34.488 32.500 0.013 0.000 1.465 230 K HN -0.176 nan 8.250 nan 0.000 0.417 231 V N 2.250 122.187 119.914 0.038 0.000 2.459 231 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 231 V C -0.489 175.638 176.094 0.056 0.000 1.029 231 V CA -0.741 61.572 62.300 0.021 0.000 0.874 231 V CB 1.354 33.220 31.823 0.072 0.000 0.985 231 V HN 0.612 nan 8.190 nan 0.000 0.438 232 I N 6.014 126.585 120.570 0.002 0.000 2.362 232 I HA 0.502 4.672 4.170 -0.000 0.000 0.289 232 I C -0.752 175.388 176.117 0.038 0.000 0.994 232 I CA -0.625 60.666 61.300 -0.015 0.000 1.158 232 I CB 1.269 39.229 38.000 -0.066 0.000 1.315 232 I HN 0.755 nan 8.210 nan 0.000 0.451 233 Y N 3.394 123.690 120.300 -0.007 0.000 2.598 233 Y HA 0.741 5.291 4.550 -0.000 0.000 0.340 233 Y C -0.838 175.080 175.900 0.029 0.000 1.038 233 Y CA -1.278 56.826 58.100 0.006 0.000 1.100 233 Y CB 1.191 39.675 38.460 0.039 0.000 1.281 233 Y HN 0.477 nan 8.280 nan 0.000 0.488 234 E N 1.770 122.071 120.200 0.169 0.000 2.210 234 E HA 0.244 4.594 4.350 -0.000 0.000 0.266 234 E C -1.355 175.380 176.600 0.226 0.000 0.883 234 E CA -0.958 55.487 56.400 0.075 0.000 0.761 234 E CB 1.273 30.980 29.700 0.013 0.000 1.156 234 E HN 0.811 nan 8.360 nan 0.000 0.412 235 D N 3.019 123.555 120.400 0.226 0.000 2.478 235 D HA 0.022 4.662 4.640 -0.000 0.000 0.269 235 D C 1.167 177.541 176.300 0.124 0.000 1.232 235 D CA -0.363 53.779 54.000 0.236 0.000 1.059 235 D CB 0.549 41.530 40.800 0.301 0.000 1.104 235 D HN 0.446 nan 8.370 nan 0.000 0.566 236 L N -0.837 120.448 121.223 0.103 0.000 2.291 236 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 236 L C 1.252 178.151 176.870 0.048 0.000 1.120 236 L CA 0.836 55.714 54.840 0.063 0.000 0.799 236 L CB -0.599 41.493 42.059 0.054 0.000 0.925 236 L HN 0.370 nan 8.230 nan 0.000 0.446 237 N N -0.275 118.459 118.700 0.058 0.000 2.434 237 N HA 0.046 4.786 4.740 -0.000 0.000 0.196 237 N C 1.269 176.789 175.510 0.016 0.000 1.183 237 N CA 0.524 53.596 53.050 0.037 0.000 0.849 237 N CB 0.381 38.896 38.487 0.046 0.000 0.992 237 N HN 0.351 nan 8.380 nan 0.000 0.460 238 G N 0.401 109.209 108.800 0.012 0.000 2.212 238 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.266 238 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.266 238 G C -0.005 174.858 174.900 -0.062 0.000 0.978 238 G CA -0.142 44.948 45.100 -0.017 0.000 0.632 238 G HN 0.318 nan 8.290 nan 0.000 0.537 239 N N 1.093 119.747 118.700 -0.075 0.000 2.492 239 N HA 0.433 5.173 4.740 -0.000 0.000 0.260 239 N C 0.172 175.439 175.510 -0.405 0.000 1.215 239 N CA 0.664 53.589 53.050 -0.210 0.000 0.923 239 N CB 0.815 39.198 38.487 -0.174 0.000 1.092 239 N HN 0.211 nan 8.380 nan 0.000 0.448 240 T N 1.751 115.989 114.554 -0.526 0.000 2.824 240 T HA 0.428 4.778 4.350 -0.000 0.000 0.280 240 T C -0.615 173.567 174.700 -0.864 0.000 0.995 240 T CA -0.381 61.391 62.100 -0.545 0.000 1.009 240 T CB 0.429 69.120 68.868 -0.296 0.000 0.955 240 T HN 0.436 nan 8.240 nan 0.000 0.452 241 H N 0.426 119.173 119.070 -0.538 0.000 2.821 241 H HA 0.550 5.106 4.556 -0.000 0.000 0.373 241 H C -0.587 174.447 175.328 -0.489 0.000 1.165 241 H CA -0.924 54.776 56.048 -0.581 0.000 1.154 241 H CB 1.630 30.892 29.762 -0.832 0.000 1.765 241 H HN 0.496 nan 8.280 nan 0.000 0.549 242 E N 0.932 121.078 120.200 -0.090 0.000 2.227 242 E HA 0.541 4.891 4.350 -0.000 0.000 0.268 242 E C -1.221 175.435 176.600 0.094 0.000 0.907 242 E CA -1.097 55.301 56.400 -0.004 0.000 0.786 242 E CB 3.414 33.106 29.700 -0.014 0.000 1.191 242 E HN 0.134 nan 8.360 nan 0.000 0.411 243 V N 3.491 123.487 119.914 0.138 0.000 2.577 243 V HA 0.405 4.525 4.120 -0.000 0.000 0.303 243 V C -2.482 173.668 176.094 0.094 0.000 1.042 243 V CA -2.483 59.898 62.300 0.136 0.000 0.872 243 V CB 2.103 34.042 31.823 0.194 0.000 0.998 243 V HN 0.541 nan 8.190 nan 0.000 0.423 244 P HA 0.375 nan 4.420 nan 0.000 0.269 244 P C -1.027 176.314 177.300 0.069 0.000 1.209 244 P CA -0.052 63.081 63.100 0.056 0.000 0.776 244 P CB 1.177 32.903 31.700 0.043 0.000 0.876 245 A N 2.358 125.216 122.820 0.063 0.000 2.485 245 A HA 0.323 4.643 4.320 -0.000 0.000 0.285 245 A C 0.739 178.365 177.584 0.070 0.000 1.045 245 A CA -0.584 51.500 52.037 0.079 0.000 0.792 245 A CB 1.062 20.117 19.000 0.091 0.000 1.307 245 A HN 0.481 nan 8.150 nan 0.000 0.406 246 K N 1.884 122.339 120.400 0.092 0.000 2.166 246 K HA 0.240 4.560 4.320 -0.000 0.000 0.201 246 K C -0.073 176.622 176.600 0.158 0.000 1.052 246 K CA 1.035 57.381 56.287 0.098 0.000 0.969 246 K CB 0.112 32.664 32.500 0.087 0.000 0.761 246 K HN 0.605 nan 8.250 nan 0.000 0.459 247 F N 1.098 121.062 119.950 0.022 0.000 2.540 247 F HA 0.374 4.901 4.527 -0.000 0.000 0.317 247 F C -1.017 174.822 175.800 0.064 0.000 1.104 247 F CA -0.561 57.456 58.000 0.028 0.000 0.913 247 F CB 1.888 40.892 39.000 0.007 0.000 1.170 247 F HN 0.013 nan 8.300 nan 0.000 0.450 248 T N 4.506 118.662 114.554 -0.663 0.000 2.906 248 T HA 0.621 4.971 4.350 -0.000 0.000 0.295 248 T C -1.231 173.052 174.700 -0.695 0.000 1.061 248 T CA -0.880 60.985 62.100 -0.392 0.000 1.000 248 T CB 1.842 70.735 68.868 0.042 0.000 1.103 248 T HN 0.685 nan 8.240 nan 0.000 0.486 249 M N 3.043 122.427 119.600 -0.360 0.000 2.124 249 M HA 0.530 5.010 4.480 -0.000 0.000 0.280 249 M C -2.435 173.631 176.300 -0.391 0.000 0.954 249 M CA -1.047 54.045 55.300 -0.346 0.000 0.958 249 M CB 0.727 33.113 32.600 -0.357 0.000 1.611 249 M HN 0.812 nan 8.290 nan 0.000 0.449 250 F N 4.018 123.855 119.950 -0.188 0.000 2.508 250 F HA 0.561 5.088 4.527 -0.000 0.000 0.325 250 F C 0.438 176.158 175.800 -0.133 0.000 1.090 250 F CA -0.697 57.211 58.000 -0.153 0.000 0.945 250 F CB 1.698 40.621 39.000 -0.128 0.000 1.156 250 F HN 0.380 nan 8.300 nan 0.000 0.463 251 M N 5.283 124.867 119.600 -0.026 0.000 2.217 251 M HA 0.210 4.690 4.480 -0.000 0.000 0.352 251 M C -2.332 173.886 176.300 -0.136 0.000 1.376 251 M CA -2.089 53.144 55.300 -0.111 0.000 1.107 251 M CB 0.014 32.480 32.600 -0.223 0.000 1.723 251 M HN 0.203 nan 8.290 nan 0.000 0.461 252 P HA 0.236 nan 4.420 nan 0.000 0.278 252 P C -0.479 176.583 177.300 -0.396 0.000 1.266 252 P CA -0.462 62.423 63.100 -0.359 0.000 0.807 252 P CB 0.540 31.769 31.700 -0.784 0.000 1.094 253 S N -0.130 115.370 115.700 -0.333 0.000 2.669 253 S HA 0.570 5.040 4.470 -0.000 0.000 0.270 253 S C -0.439 174.091 174.600 -0.116 0.000 1.225 253 S CA -0.361 57.630 58.200 -0.347 0.000 0.991 253 S CB -0.055 63.020 63.200 -0.207 0.000 0.987 253 S HN 0.192 nan 8.310 nan 0.000 0.552 254 F N 0.393 120.258 119.950 -0.143 0.000 2.492 254 F HA 0.650 5.177 4.527 -0.000 0.000 0.327 254 F C 0.528 176.282 175.800 -0.077 0.000 1.079 254 F CA -1.153 56.778 58.000 -0.114 0.000 0.967 254 F CB 1.659 40.606 39.000 -0.089 0.000 1.169 254 F HN 0.733 nan 8.300 nan 0.000 0.472 255 Q N -0.033 119.847 119.800 0.134 0.000 2.484 255 Q HA 0.679 5.019 4.340 -0.000 0.000 0.285 255 Q C -0.285 175.733 176.000 0.030 0.000 1.097 255 Q CA -0.999 54.840 55.803 0.061 0.000 0.802 255 Q CB 2.779 31.536 28.738 0.031 0.000 1.444 255 Q HN 0.899 nan 8.270 nan 0.000 0.429 256 G N 1.754 110.568 108.800 0.022 0.000 2.527 256 G HA2 0.417 4.377 3.960 -0.000 0.000 0.248 256 G HA3 0.417 4.377 3.960 -0.000 0.000 0.248 256 G C -2.453 172.449 174.900 0.002 0.000 1.231 256 G CA -0.700 44.405 45.100 0.008 0.000 0.838 256 G HN 0.428 nan 8.290 nan 0.000 0.570 257 P HA 0.231 nan 4.420 nan 0.000 0.278 257 P C 0.435 177.737 177.300 0.002 0.000 1.266 257 P CA -0.466 62.632 63.100 -0.003 0.000 0.807 257 P CB 1.496 33.191 31.700 -0.008 0.000 1.094 258 E N 0.062 120.265 120.200 0.004 0.000 2.204 258 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 258 E C 1.719 178.320 176.600 0.002 0.000 0.989 258 E CA 0.666 57.069 56.400 0.005 0.000 0.824 258 E CB -0.723 28.981 29.700 0.007 0.000 0.756 258 E HN 0.176 nan 8.360 nan 0.000 0.477 259 V N 0.698 120.612 119.914 0.000 0.000 2.392 259 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 259 V C 2.215 178.306 176.094 -0.004 0.000 1.059 259 V CA 1.446 63.745 62.300 -0.002 0.000 1.051 259 V CB -0.146 31.675 31.823 -0.004 0.000 0.658 259 V HN 0.044 nan 8.190 nan 0.000 0.455 260 V N 0.533 120.446 119.914 -0.002 0.000 2.323 260 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 260 V C 2.867 178.962 176.094 0.002 0.000 1.041 260 V CA 1.916 64.215 62.300 -0.001 0.000 1.025 260 V CB -1.322 30.503 31.823 0.003 0.000 0.656 260 V HN 0.636 nan 8.190 nan 0.000 0.451 261 A N 1.005 123.827 122.820 0.005 0.000 1.948 261 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 261 A C 2.516 180.104 177.584 0.005 0.000 1.177 261 A CA 2.424 54.465 52.037 0.007 0.000 0.636 261 A CB -0.832 18.173 19.000 0.007 0.000 0.815 261 A HN 0.720 nan 8.150 nan 0.000 0.449 262 S N -0.261 115.440 115.700 0.001 0.000 2.442 262 S HA 0.138 4.608 4.470 -0.000 0.000 0.236 262 S C 1.774 176.370 174.600 -0.006 0.000 1.007 262 S CA 1.094 59.293 58.200 -0.001 0.000 0.965 262 S CB -0.463 62.736 63.200 -0.002 0.000 0.773 262 S HN 0.931 nan 8.310 nan 0.000 0.504 263 A N 1.084 123.898 122.820 -0.010 0.000 2.208 263 A HA 0.557 4.877 4.320 -0.000 0.000 0.209 263 A C 1.363 178.946 177.584 -0.001 0.000 1.161 263 A CA 0.531 52.551 52.037 -0.027 0.000 0.782 263 A CB -1.094 17.881 19.000 -0.042 0.000 0.816 263 A HN 1.634 nan 8.150 nan 0.000 0.477 264 G N -0.948 107.863 108.800 0.018 0.000 2.661 264 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.685 264 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.685 264 G C -0.198 174.730 174.900 0.047 0.000 1.298 264 G CA -0.029 45.094 45.100 0.038 0.000 0.855 264 G HN 0.051 nan 8.290 nan 0.000 0.560 265 D N -0.012 120.415 120.400 0.045 0.000 2.264 265 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 265 D C 2.340 178.666 176.300 0.043 0.000 0.966 265 D CA 1.004 55.025 54.000 0.035 0.000 0.864 265 D CB 0.119 40.934 40.800 0.024 0.000 0.933 265 D HN 0.320 nan 8.370 nan 0.000 0.499 266 K N -0.012 120.432 120.400 0.074 0.000 2.366 266 K HA 0.077 4.397 4.320 -0.000 0.000 0.198 266 K C 1.680 178.342 176.600 0.103 0.000 1.044 266 K CA 0.170 56.504 56.287 0.078 0.000 0.973 266 K CB 0.421 32.975 32.500 0.090 0.000 0.767 266 K HN 0.136 nan 8.250 nan 0.000 0.475 267 V N 0.002 119.981 119.914 0.108 0.000 3.013 267 V HA 0.211 4.331 4.120 -0.000 0.000 0.238 267 V C 0.621 176.737 176.094 0.038 0.000 1.161 267 V CA 0.433 62.782 62.300 0.082 0.000 1.170 267 V CB 0.359 32.224 31.823 0.069 0.000 0.917 267 V HN 0.074 nan 8.190 nan 0.000 0.478 268 A N 1.558 124.397 122.820 0.032 0.000 2.249 268 A HA 0.422 4.742 4.320 -0.000 0.000 0.314 268 A C 0.076 177.670 177.584 0.017 0.000 1.290 268 A CA -0.347 51.702 52.037 0.020 0.000 0.893 268 A CB -0.014 18.996 19.000 0.017 0.000 1.165 268 A HN 0.303 nan 8.150 nan 0.000 0.530 269 N N 3.571 122.278 118.700 0.012 0.000 2.374 269 N HA -0.002 4.738 4.740 -0.000 0.000 0.269 269 N C -1.693 173.823 175.510 0.010 0.000 1.310 269 N CA -0.955 52.100 53.050 0.008 0.000 0.877 269 N CB 0.994 39.485 38.487 0.006 0.000 1.096 269 N HN 0.248 nan 8.380 nan 0.000 0.484 270 P HA -0.101 nan 4.420 nan 0.000 0.219 270 P C 0.611 177.915 177.300 0.008 0.000 1.146 270 P CA 1.169 64.274 63.100 0.008 0.000 0.808 270 P CB 0.219 31.923 31.700 0.007 0.000 0.779 271 A N -0.016 122.809 122.820 0.007 0.000 1.975 271 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 271 A C 1.553 179.143 177.584 0.010 0.000 1.170 271 A CA 1.656 53.697 52.037 0.008 0.000 0.656 271 A CB -0.792 18.212 19.000 0.007 0.000 0.821 271 A HN 0.356 nan 8.150 nan 0.000 0.449 272 N N -3.588 115.120 118.700 0.013 0.000 2.082 272 N HA 0.106 4.846 4.740 -0.000 0.000 0.228 272 N C 0.187 175.709 175.510 0.020 0.000 1.341 272 N CA 0.377 53.439 53.050 0.019 0.000 0.873 272 N CB 0.068 38.570 38.487 0.026 0.000 1.137 272 N HN 0.268 nan 8.380 nan 0.000 0.505 273 K N -0.535 119.875 120.400 0.016 0.000 3.407 273 K HA -0.172 4.148 4.320 -0.000 0.000 0.312 273 K C -0.546 176.063 176.600 0.016 0.000 1.302 273 K CA 0.914 57.210 56.287 0.015 0.000 0.931 273 K CB -1.461 31.047 32.500 0.013 0.000 1.257 273 K HN 0.388 nan 8.250 nan 0.000 0.454 274 M N 0.928 120.540 119.600 0.021 0.000 2.247 274 M HA 0.144 4.624 4.480 -0.000 0.000 0.326 274 M C 0.632 176.943 176.300 0.018 0.000 1.134 274 M CA -0.422 54.892 55.300 0.024 0.000 1.136 274 M CB 0.965 33.587 32.600 0.035 0.000 1.454 274 M HN -0.180 nan 8.290 nan 0.000 0.467 275 V N 3.519 123.446 119.914 0.022 0.000 2.485 275 V HA 0.047 4.167 4.120 -0.000 0.000 0.287 275 V C 0.311 176.402 176.094 -0.005 0.000 1.022 275 V CA 0.023 62.334 62.300 0.018 0.000 1.067 275 V CB -0.379 31.465 31.823 0.036 0.000 0.967 275 V HN 0.574 nan 8.190 nan 0.000 0.479 276 I N 6.554 127.118 120.570 -0.011 0.000 2.517 276 I HA 0.241 4.411 4.170 -0.000 0.000 0.285 276 I C 0.137 176.214 176.117 -0.068 0.000 1.106 276 I CA 0.320 61.597 61.300 -0.038 0.000 1.402 276 I CB 0.628 38.614 38.000 -0.022 0.000 1.399 276 I HN 0.572 nan 8.210 nan 0.000 0.535 277 V N 3.027 122.861 119.914 -0.133 0.000 2.962 277 V HA 0.632 4.752 4.120 -0.000 0.000 0.313 277 V C -0.419 175.539 176.094 -0.226 0.000 1.099 277 V CA -0.966 61.215 62.300 -0.197 0.000 0.971 277 V CB 1.781 33.408 31.823 -0.327 0.000 1.028 277 V HN 0.775 nan 8.190 nan 0.000 0.430 278 N N 2.278 120.871 118.700 -0.178 0.000 2.531 278 N HA 0.384 5.124 4.740 -0.000 0.000 0.301 278 N C 0.790 176.210 175.510 -0.150 0.000 1.310 278 N CA -0.496 52.474 53.050 -0.132 0.000 0.949 278 N CB 0.131 38.581 38.487 -0.062 0.000 1.111 278 N HN 0.616 nan 8.380 nan 0.000 0.565 279 R N -1.236 119.243 120.500 -0.035 0.000 2.152 279 R HA 0.032 4.372 4.340 -0.000 0.000 0.232 279 R C 0.712 177.138 176.300 0.209 0.000 1.117 279 R CA 1.331 57.464 56.100 0.055 0.000 0.981 279 R CB -0.586 29.755 30.300 0.068 0.000 0.870 279 R HN 0.528 nan 8.270 nan 0.000 0.451 280 c N -0.110 118.611 118.600 0.202 0.000 2.693 280 c HA 0.254 4.824 4.570 -0.000 0.000 0.286 280 c C -0.133 174.252 174.090 0.492 0.000 1.277 280 c CA -0.744 55.782 56.329 0.328 0.000 1.705 280 c CB -1.492 41.171 42.510 0.254 0.000 1.879 280 c HN 0.511 nan 8.230 nan 0.000 0.607 281 F N 0.919 120.969 119.950 0.167 0.000 3.091 281 F HA -0.201 4.326 4.527 -0.000 0.000 0.288 281 F C 0.598 176.539 175.800 0.234 0.000 0.907 281 F CA 1.202 59.313 58.000 0.184 0.000 1.028 281 F CB -1.571 37.540 39.000 0.185 0.000 1.022 281 F HN 0.504 nan 8.300 nan 0.000 0.665 282 Q N 0.631 120.504 119.800 0.121 0.000 2.312 282 Q HA 0.401 4.741 4.340 -0.000 0.000 0.263 282 Q C 0.027 175.906 176.000 -0.201 0.000 0.995 282 Q CA -1.027 54.624 55.803 -0.253 0.000 0.853 282 Q CB 1.402 29.978 28.738 -0.271 0.000 1.300 282 Q HN 0.260 nan 8.270 nan 0.000 0.448 283 N N 4.145 122.705 118.700 -0.233 0.000 2.454 283 N HA 0.052 4.792 4.740 -0.000 0.000 0.260 283 N C -1.980 173.465 175.510 -0.108 0.000 1.218 283 N CA -1.001 51.982 53.050 -0.111 0.000 0.904 283 N CB 1.071 39.542 38.487 -0.027 0.000 1.065 283 N HN 0.417 nan 8.380 nan 0.000 0.462 284 P HA -0.074 nan 4.420 nan 0.000 0.220 284 P C 0.365 177.598 177.300 -0.113 0.000 1.148 284 P CA 1.292 64.341 63.100 -0.086 0.000 0.803 284 P CB 0.330 31.986 31.700 -0.072 0.000 0.782 285 T N -2.844 111.624 114.554 -0.143 0.000 2.988 285 T HA 0.055 4.405 4.350 -0.000 0.000 0.240 285 T C 0.186 174.635 174.700 -0.419 0.000 1.014 285 T CA 0.707 62.623 62.100 -0.308 0.000 1.155 285 T CB -0.422 68.196 68.868 -0.416 0.000 0.872 285 T HN -0.027 nan 8.240 nan 0.000 0.440 286 Y N 2.229 122.498 120.300 -0.051 0.000 2.595 286 Y HA 0.388 4.938 4.550 -0.000 0.000 0.336 286 Y C 1.240 177.084 175.900 -0.092 0.000 0.996 286 Y CA -0.802 57.272 58.100 -0.043 0.000 1.260 286 Y CB 0.583 39.039 38.460 -0.007 0.000 1.108 286 Y HN -0.058 nan 8.280 nan 0.000 0.509 287 K N 1.337 121.743 120.400 0.011 0.000 2.515 287 K HA -0.103 4.217 4.320 -0.000 0.000 0.196 287 K C 0.878 177.433 176.600 -0.075 0.000 1.038 287 K CA 0.753 56.999 56.287 -0.068 0.000 0.967 287 K CB 0.119 32.613 32.500 -0.009 0.000 0.780 287 K HN 0.667 nan 8.250 nan 0.000 0.483 288 N N 0.600 119.328 118.700 0.045 0.000 2.280 288 N HA 0.020 4.760 4.740 -0.000 0.000 0.192 288 N C 0.168 175.796 175.510 0.196 0.000 1.109 288 N CA 0.007 53.174 53.050 0.194 0.000 0.855 288 N CB 0.184 38.699 38.487 0.046 0.000 0.974 288 N HN 0.061 nan 8.380 nan 0.000 0.482 289 I N 0.866 121.415 120.570 -0.036 0.000 2.377 289 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 289 I C -0.838 175.116 176.117 -0.273 0.000 0.987 289 I CA -0.776 60.496 61.300 -0.046 0.000 1.185 289 I CB 0.800 38.792 38.000 -0.013 0.000 1.341 289 I HN -0.229 nan 8.210 nan 0.000 0.455 290 F N 2.771 122.761 119.950 0.067 0.000 2.577 290 F HA 0.730 5.257 4.527 -0.000 0.000 0.318 290 F C 0.573 176.423 175.800 0.083 0.000 1.065 290 F CA -0.754 57.306 58.000 0.099 0.000 0.929 290 F CB 2.144 41.212 39.000 0.114 0.000 1.237 290 F HN 0.346 nan 8.300 nan 0.000 0.468 291 G N 0.729 109.718 108.800 0.315 0.000 2.513 291 G HA2 0.652 4.612 3.960 -0.000 0.000 0.317 291 G HA3 0.652 4.612 3.960 -0.000 0.000 0.317 291 G C -2.071 173.028 174.900 0.331 0.000 1.277 291 G CA -0.805 44.442 45.100 0.246 0.000 0.955 291 G HN 0.505 nan 8.290 nan 0.000 0.484 292 V N 1.290 121.327 119.914 0.206 0.000 2.686 292 V HA 0.931 5.051 4.120 -0.000 0.000 0.306 292 V C 0.718 176.867 176.094 0.091 0.000 1.065 292 V CA 0.631 63.011 62.300 0.134 0.000 0.894 292 V CB 0.931 32.787 31.823 0.055 0.000 1.004 292 V HN 1.967 nan 8.190 nan 0.000 0.424 293 G N 3.175 112.018 108.800 0.072 0.000 2.500 293 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.209 293 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.209 293 G C 0.401 175.343 174.900 0.070 0.000 1.283 293 G CA -0.217 44.910 45.100 0.044 0.000 0.960 293 G HN 0.923 nan 8.290 nan 0.000 0.528 294 V N 0.144 120.070 119.914 0.020 0.000 2.594 294 V HA -0.117 4.003 4.120 -0.000 0.000 0.253 294 V C 2.937 179.050 176.094 0.030 0.000 1.069 294 V CA 2.232 64.542 62.300 0.017 0.000 1.082 294 V CB -0.271 31.490 31.823 -0.103 0.000 0.680 294 V HN 1.062 nan 8.190 nan 0.000 0.469 295 V N 0.917 120.842 119.914 0.017 0.000 3.141 295 V HA -0.057 4.063 4.120 -0.000 0.000 0.265 295 V C 1.417 177.549 176.094 0.063 0.000 1.126 295 V CA 1.401 63.716 62.300 0.024 0.000 1.141 295 V CB -0.696 31.134 31.823 0.010 0.000 0.743 295 V HN 0.804 nan 8.190 nan 0.000 0.492 296 T N 0.180 114.800 114.554 0.110 0.000 2.884 296 T HA 0.572 4.922 4.350 -0.000 0.000 0.298 296 T C 0.050 174.795 174.700 0.075 0.000 0.998 296 T CA -0.031 62.141 62.100 0.120 0.000 1.124 296 T CB 1.435 70.464 68.868 0.267 0.000 0.931 296 T HN 0.483 nan 8.240 nan 0.000 0.531 297 A N 4.440 127.271 122.820 0.018 0.000 2.437 297 A HA 0.566 4.886 4.320 -0.000 0.000 0.303 297 A C 0.137 177.710 177.584 -0.018 0.000 1.324 297 A CA -0.764 51.277 52.037 0.007 0.000 0.983 297 A CB -0.724 18.271 19.000 -0.007 0.000 1.142 297 A HN 0.889 nan 8.150 nan 0.000 0.541 298 I N 4.228 124.812 120.570 0.023 0.000 2.389 298 I HA 0.299 4.469 4.170 -0.000 0.000 0.288 298 I C -2.190 173.945 176.117 0.031 0.000 0.999 298 I CA -2.186 59.127 61.300 0.022 0.000 1.129 298 I CB 1.983 40.031 38.000 0.079 0.000 1.288 298 I HN 0.408 nan 8.210 nan 0.000 0.444 299 P HA 0.121 nan 4.420 nan 0.000 0.267 299 P C -2.431 174.891 177.300 0.037 0.000 1.200 299 P CA -0.665 62.448 63.100 0.022 0.000 0.772 299 P CB -0.302 31.405 31.700 0.012 0.000 0.855 300 P HA 0.084 nan 4.420 nan 0.000 0.267 300 P C 0.899 178.228 177.300 0.049 0.000 1.200 300 P CA 0.207 63.339 63.100 0.054 0.000 0.772 300 P CB 0.367 32.099 31.700 0.053 0.000 0.855 301 I N 0.582 121.185 120.570 0.055 0.000 2.315 301 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 301 I C 1.212 177.356 176.117 0.044 0.000 1.117 301 I CA 1.413 62.736 61.300 0.038 0.000 1.404 301 I CB -0.091 37.919 38.000 0.017 0.000 1.071 301 I HN 0.529 nan 8.210 nan 0.000 0.419 302 E N 0.326 120.568 120.200 0.070 0.000 2.408 302 E HA 0.284 4.634 4.350 -0.000 0.000 0.275 302 E C -0.713 175.923 176.600 0.060 0.000 0.935 302 E CA -0.977 55.464 56.400 0.069 0.000 0.775 302 E CB 1.380 31.137 29.700 0.095 0.000 1.277 302 E HN -0.132 nan 8.360 nan 0.000 0.455 303 K N 2.261 122.684 120.400 0.038 0.000 2.292 303 K HA 0.131 4.451 4.320 -0.000 0.000 0.290 303 K C -0.586 176.017 176.600 0.006 0.000 1.083 303 K CA -0.090 56.210 56.287 0.022 0.000 0.918 303 K CB 0.375 32.885 32.500 0.017 0.000 1.089 303 K HN 0.675 nan 8.250 nan 0.000 0.473 304 T N 1.881 116.421 114.554 -0.023 0.000 2.913 304 T HA 0.250 4.600 4.350 -0.000 0.000 0.287 304 T C -1.765 172.904 174.700 -0.051 0.000 1.008 304 T CA -1.840 60.214 62.100 -0.078 0.000 1.067 304 T CB 1.276 70.017 68.868 -0.211 0.000 0.996 304 T HN 0.305 nan 8.240 nan 0.000 0.513 305 P HA -0.003 nan 4.420 nan 0.000 0.215 305 P C 0.237 177.527 177.300 -0.016 0.000 1.157 305 P CA 0.925 64.013 63.100 -0.020 0.000 0.874 305 P CB 0.011 31.704 31.700 -0.011 0.000 0.790 306 I N -0.232 120.320 120.570 -0.030 0.000 2.321 306 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 306 I C -2.391 173.713 176.117 -0.021 0.000 0.998 306 I CA -3.740 57.551 61.300 -0.014 0.000 1.227 306 I CB 0.549 38.548 38.000 -0.003 0.000 1.368 306 I HN -0.232 nan 8.210 nan 0.000 0.466 307 P HA 0.064 nan 4.420 nan 0.000 0.264 307 P C -0.201 177.115 177.300 0.026 0.000 1.183 307 P CA 0.428 63.530 63.100 0.003 0.000 0.763 307 P CB 0.403 32.105 31.700 0.003 0.000 0.807 308 T N 0.069 114.650 114.554 0.045 0.000 2.896 308 T HA 0.784 5.134 4.350 -0.000 0.000 0.297 308 T C -0.178 174.593 174.700 0.118 0.000 1.108 308 T CA -0.888 61.293 62.100 0.134 0.000 1.004 308 T CB 2.031 71.014 68.868 0.192 0.000 1.159 308 T HN 0.341 nan 8.240 nan 0.000 0.499 309 G N -0.286 108.592 108.800 0.130 0.000 2.644 309 G HA2 0.640 4.600 3.960 -0.000 0.000 0.307 309 G HA3 0.640 4.600 3.960 -0.000 0.000 0.307 309 G C -1.010 173.974 174.900 0.140 0.000 1.250 309 G CA -0.839 44.318 45.100 0.095 0.000 0.996 309 G HN 0.923 nan 8.290 nan 0.000 0.489 310 V N 2.125 122.104 119.914 0.108 0.000 2.498 310 V HA 0.461 4.581 4.120 -0.000 0.000 0.279 310 V C -1.726 174.435 176.094 0.111 0.000 1.048 310 V CA -1.807 60.560 62.300 0.112 0.000 0.967 310 V CB 1.523 33.398 31.823 0.087 0.000 0.988 310 V HN 0.602 nan 8.190 nan 0.000 0.473 311 P HA 0.289 nan 4.420 nan 0.000 0.275 311 P C -1.542 175.808 177.300 0.082 0.000 1.228 311 P CA -0.536 62.623 63.100 0.098 0.000 0.786 311 P CB 0.718 32.465 31.700 0.079 0.000 0.927 312 K N 1.190 121.643 120.400 0.088 0.000 2.404 312 K HA 0.350 4.670 4.320 -0.000 0.000 0.257 312 K C 0.447 177.058 176.600 0.018 0.000 1.026 312 K CA -0.377 55.947 56.287 0.060 0.000 0.951 312 K CB 0.596 33.144 32.500 0.080 0.000 1.203 312 K HN 0.447 nan 8.250 nan 0.000 0.446 313 T N -1.607 112.939 114.554 -0.014 0.000 2.847 313 T HA 0.293 4.643 4.350 -0.000 0.000 0.279 313 T C 1.557 176.223 174.700 -0.057 0.000 0.984 313 T CA -0.413 61.655 62.100 -0.052 0.000 0.988 313 T CB 1.486 70.306 68.868 -0.079 0.000 1.040 313 T HN 0.454 nan 8.240 nan 0.000 0.528 314 G N 0.347 109.096 108.800 -0.086 0.000 2.529 314 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 314 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 314 G C 1.415 176.311 174.900 -0.006 0.000 1.177 314 G CA 1.292 46.351 45.100 -0.069 0.000 0.773 314 G HN 0.847 nan 8.290 nan 0.000 0.573 315 M N -0.274 119.318 119.600 -0.013 0.000 2.117 315 M HA 0.029 4.509 4.480 -0.000 0.000 0.262 315 M C 2.634 178.941 176.300 0.012 0.000 1.065 315 M CA 1.548 56.864 55.300 0.026 0.000 1.114 315 M CB -0.172 32.437 32.600 0.014 0.000 1.361 315 M HN 0.266 nan 8.290 nan 0.000 0.408 316 M N 0.211 119.801 119.600 -0.016 0.000 2.108 316 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 316 M C 1.997 178.251 176.300 -0.076 0.000 1.066 316 M CA 1.793 57.071 55.300 -0.037 0.000 1.107 316 M CB -0.563 32.022 32.600 -0.025 0.000 1.356 316 M HN 0.356 nan 8.290 nan 0.000 0.406 317 I N -0.335 120.205 120.570 -0.050 0.000 2.286 317 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 317 I C 2.194 178.286 176.117 -0.041 0.000 1.104 317 I CA 1.242 62.508 61.300 -0.057 0.000 1.397 317 I CB -0.441 37.546 38.000 -0.021 0.000 1.072 317 I HN 0.319 nan 8.210 nan 0.000 0.417 318 E N 0.554 120.764 120.200 0.017 0.000 2.110 318 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 318 E C 2.215 178.812 176.600 -0.004 0.000 0.988 318 E CA 1.161 57.589 56.400 0.048 0.000 0.804 318 E CB -0.077 29.702 29.700 0.132 0.000 0.745 318 E HN 0.570 nan 8.360 nan 0.000 0.458 319 Q N 0.063 119.846 119.800 -0.028 0.000 2.079 319 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 319 Q C 2.223 178.149 176.000 -0.122 0.000 0.974 319 Q CA 1.228 57.001 55.803 -0.050 0.000 0.840 319 Q CB -0.082 28.635 28.738 -0.035 0.000 0.898 319 Q HN 0.307 nan 8.270 nan 0.000 0.430 320 M N 0.254 119.709 119.600 -0.242 0.000 2.082 320 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 320 M C 2.396 178.587 176.300 -0.182 0.000 1.069 320 M CA 1.712 56.771 55.300 -0.401 0.000 1.102 320 M CB -0.449 31.807 32.600 -0.574 0.000 1.336 320 M HN 0.279 nan 8.290 nan 0.000 0.404 321 A N 0.094 122.845 122.820 -0.115 0.000 1.883 321 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 321 A C 2.148 179.691 177.584 -0.068 0.000 1.186 321 A CA 1.842 53.835 52.037 -0.074 0.000 0.624 321 A CB -0.668 18.300 19.000 -0.053 0.000 0.822 321 A HN 0.474 nan 8.150 nan 0.000 0.444 322 M N -0.668 118.905 119.600 -0.044 0.000 2.065 322 M HA -0.205 4.275 4.480 -0.000 0.000 0.259 322 M C 2.581 178.907 176.300 0.044 0.000 1.069 322 M CA 1.678 56.978 55.300 -0.001 0.000 1.110 322 M CB -0.450 32.156 32.600 0.010 0.000 1.328 322 M HN 0.504 nan 8.290 nan 0.000 0.405 323 A N -0.401 122.430 122.820 0.018 0.000 1.877 323 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 323 A C 2.207 179.844 177.584 0.089 0.000 1.186 323 A CA 1.727 53.817 52.037 0.089 0.000 0.620 323 A CB -1.045 18.021 19.000 0.110 0.000 0.822 323 A HN 0.310 nan 8.150 nan 0.000 0.443 324 V N -0.124 119.787 119.914 -0.006 0.000 2.295 324 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 324 V C 3.087 178.984 176.094 -0.329 0.000 1.049 324 V CA 1.986 64.181 62.300 -0.175 0.000 1.024 324 V CB -1.259 30.487 31.823 -0.129 0.000 0.648 324 V HN 0.633 nan 8.190 nan 0.000 0.447 325 A N -1.065 121.623 122.820 -0.220 0.000 1.892 325 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 325 A C 2.141 179.570 177.584 -0.258 0.000 1.188 325 A CA 2.103 53.984 52.037 -0.260 0.000 0.631 325 A CB -0.863 17.993 19.000 -0.240 0.000 0.822 325 A HN 0.677 nan 8.150 nan 0.000 0.447 326 H N -0.344 118.645 119.070 -0.135 0.000 2.387 326 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 326 H C 2.029 177.375 175.328 0.030 0.000 1.090 326 H CA 1.661 57.674 56.048 -0.058 0.000 1.332 326 H CB -0.303 29.381 29.762 -0.131 0.000 1.386 326 H HN 0.672 nan 8.280 nan 0.000 0.516 327 N N 0.260 119.040 118.700 0.133 0.000 2.120 327 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 327 N C 2.008 177.496 175.510 -0.038 0.000 1.024 327 N CA 0.778 53.896 53.050 0.114 0.000 0.852 327 N CB 0.091 38.689 38.487 0.185 0.000 1.003 327 N HN 0.200 nan 8.380 nan 0.000 0.424 328 I N 0.563 120.928 120.570 -0.341 0.000 2.142 328 I HA -0.235 3.934 4.170 -0.000 0.000 0.240 328 I C 2.149 178.034 176.117 -0.386 0.000 1.078 328 I CA 0.942 61.935 61.300 -0.510 0.000 1.343 328 I CB -0.279 37.302 38.000 -0.699 0.000 1.046 328 I HN -0.008 nan 8.210 nan 0.000 0.405 329 V N 1.271 121.035 119.914 -0.251 0.000 2.332 329 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 329 V C 2.093 178.163 176.094 -0.039 0.000 1.055 329 V CA 2.004 64.215 62.300 -0.149 0.000 1.038 329 V CB -0.823 30.919 31.823 -0.136 0.000 0.651 329 V HN 0.446 nan 8.190 nan 0.000 0.450 330 N N 0.031 118.749 118.700 0.029 0.000 2.244 330 N HA -0.161 4.579 4.740 -0.000 0.000 0.183 330 N C 1.584 177.145 175.510 0.085 0.000 1.016 330 N CA 1.602 54.703 53.050 0.085 0.000 0.866 330 N CB -0.393 38.179 38.487 0.143 0.000 0.980 330 N HN 0.655 nan 8.380 nan 0.000 0.430 331 D N 0.120 120.574 120.400 0.090 0.000 2.117 331 D HA 0.021 4.661 4.640 -0.000 0.000 0.198 331 D C 1.884 178.287 176.300 0.171 0.000 0.982 331 D CA 0.653 54.752 54.000 0.165 0.000 0.828 331 D CB 0.064 41.042 40.800 0.296 0.000 0.967 331 D HN 0.169 nan 8.370 nan 0.000 0.464 332 I N 0.008 120.644 120.570 0.109 0.000 2.179 332 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 332 I C 2.047 178.220 176.117 0.094 0.000 1.088 332 I CA 1.047 62.423 61.300 0.126 0.000 1.357 332 I CB -0.176 37.855 38.000 0.051 0.000 1.051 332 I HN -0.045 nan 8.210 nan 0.000 0.409 333 R N 0.735 121.274 120.500 0.066 0.000 2.320 333 R HA 0.053 4.393 4.340 -0.000 0.000 0.211 333 R C 0.347 176.686 176.300 0.064 0.000 0.931 333 R CA 0.072 56.208 56.100 0.059 0.000 1.071 333 R CB -0.468 29.861 30.300 0.048 0.000 1.025 333 R HN 0.377 nan 8.270 nan 0.000 0.495 334 N N 1.640 120.385 118.700 0.076 0.000 2.727 334 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 334 N C -1.085 174.461 175.510 0.061 0.000 1.048 334 N CA -0.011 53.081 53.050 0.071 0.000 0.714 334 N CB -0.614 37.910 38.487 0.061 0.000 0.959 334 N HN 0.200 nan 8.380 nan 0.000 0.544 335 N N 0.711 119.451 118.700 0.067 0.000 2.437 335 N HA 0.308 5.048 4.740 -0.000 0.000 0.259 335 N C -1.872 173.670 175.510 0.053 0.000 0.983 335 N CA -1.981 51.105 53.050 0.061 0.000 0.937 335 N CB 1.451 39.983 38.487 0.076 0.000 1.122 335 N HN 0.066 nan 8.380 nan 0.000 0.499 336 P HA -0.004 nan 4.420 nan 0.000 0.222 336 P C -0.598 176.691 177.300 -0.018 0.000 1.147 336 P CA 0.734 63.845 63.100 0.017 0.000 0.790 336 P CB 0.174 31.880 31.700 0.009 0.000 0.780 337 D N 1.199 121.573 120.400 -0.043 0.000 2.487 337 D HA 0.070 4.710 4.640 -0.000 0.000 0.243 337 D C 0.528 176.694 176.300 -0.223 0.000 1.154 337 D CA 0.871 54.771 54.000 -0.166 0.000 0.876 337 D CB 0.395 41.095 40.800 -0.166 0.000 1.161 337 D HN -0.027 nan 8.370 nan 0.000 0.478 338 K N 1.938 122.133 120.400 -0.341 0.000 2.395 338 K HA 0.466 4.786 4.320 -0.000 0.000 0.247 338 K C -0.885 175.445 176.600 -0.451 0.000 0.973 338 K CA -0.810 55.338 56.287 -0.232 0.000 0.828 338 K CB 1.596 34.083 32.500 -0.022 0.000 1.272 338 K HN 0.323 nan 8.250 nan 0.000 0.439 339 Y N -0.569 119.783 120.300 0.086 0.000 2.462 339 Y HA 0.565 5.115 4.550 -0.000 0.000 0.346 339 Y C -0.086 175.881 175.900 0.111 0.000 0.976 339 Y CA -1.022 57.118 58.100 0.066 0.000 1.044 339 Y CB 2.330 40.804 38.460 0.024 0.000 1.230 339 Y HN 0.624 nan 8.280 nan 0.000 0.455 340 A N 4.558 127.532 122.820 0.256 0.000 2.330 340 A HA 0.748 5.068 4.320 -0.000 0.000 0.327 340 A C -2.816 174.879 177.584 0.184 0.000 1.155 340 A CA -2.080 50.097 52.037 0.233 0.000 0.803 340 A CB 0.731 19.844 19.000 0.188 0.000 1.208 340 A HN 0.418 nan 8.150 nan 0.000 0.477 341 P HA 0.145 nan 4.420 nan 0.000 0.271 341 P C 0.335 177.681 177.300 0.076 0.000 1.218 341 P CA -0.220 62.905 63.100 0.042 0.000 0.780 341 P CB 1.041 32.665 31.700 -0.126 0.000 0.901 342 R N 3.036 123.576 120.500 0.067 0.000 2.096 342 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 342 R C 0.652 176.986 176.300 0.057 0.000 1.127 342 R CA 0.979 57.125 56.100 0.075 0.000 0.968 342 R CB -1.248 29.106 30.300 0.091 0.000 0.861 342 R HN 0.324 nan 8.270 nan 0.000 0.440 343 L N 1.409 122.652 121.223 0.032 0.000 3.548 343 L HA -0.204 4.136 4.340 -0.000 0.000 0.443 343 L C -0.438 176.433 176.870 0.002 0.000 1.286 343 L CA 1.306 56.158 54.840 0.019 0.000 0.863 343 L CB -2.885 39.211 42.059 0.062 0.000 1.734 343 L HN 0.488 nan 8.230 nan 0.000 0.873 344 S N -1.636 114.068 115.700 0.006 0.000 2.669 344 S HA 0.912 5.382 4.470 -0.000 0.000 0.270 344 S C 0.261 174.848 174.600 -0.022 0.000 1.225 344 S CA -0.162 58.018 58.200 -0.035 0.000 0.991 344 S CB 2.506 65.725 63.200 0.033 0.000 0.987 344 S HN 1.278 nan 8.310 nan 0.000 0.552 345 A N 1.091 123.866 122.820 -0.075 0.000 2.408 345 A HA 0.718 5.038 4.320 -0.000 0.000 0.295 345 A C -0.516 177.079 177.584 0.018 0.000 1.040 345 A CA -0.888 51.122 52.037 -0.045 0.000 0.707 345 A CB 0.665 19.606 19.000 -0.099 0.000 1.235 345 A HN 0.809 nan 8.150 nan 0.000 0.418 349 A N 3.901 126.623 122.820 -0.162 0.000 2.316 349 A HA 0.443 4.763 4.320 -0.000 0.000 0.311 349 A C -0.345 176.906 177.584 -0.555 0.000 1.339 349 A CA -0.174 51.763 52.037 -0.166 0.000 0.960 349 A CB 0.231 19.284 19.000 0.087 0.000 1.152 349 A HN 0.622 nan 8.150 nan 0.000 0.547 350 D N 1.988 122.259 120.400 -0.215 0.000 2.348 350 D HA 0.302 4.942 4.640 -0.000 0.000 0.253 350 D C -0.180 176.104 176.300 -0.027 0.000 1.161 350 D CA -0.003 53.912 54.000 -0.142 0.000 0.876 350 D CB 0.231 41.169 40.800 0.230 0.000 1.160 350 D HN 0.355 nan 8.370 nan 0.000 0.459 351 F N 1.540 121.544 119.950 0.089 0.000 2.682 351 F HA 0.358 4.884 4.527 -0.000 0.000 0.308 351 F C 1.744 177.547 175.800 0.004 0.000 1.093 351 F CA 0.044 58.090 58.000 0.078 0.000 1.244 351 F CB 0.390 39.438 39.000 0.080 0.000 1.052 351 F HN 0.601 nan 8.300 nan 0.000 0.573 352 G N 0.437 109.247 108.800 0.016 0.000 2.261 352 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.228 352 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.228 352 G C 0.999 175.295 174.900 -1.005 0.000 2.090 352 G CA 0.028 44.820 45.100 -0.513 0.000 1.588 352 G HN 0.217 nan 8.290 nan 0.000 0.520 353 E N 1.252 120.921 120.200 -0.885 0.000 2.415 353 E HA 0.234 4.584 4.350 -0.000 0.000 0.197 353 E C 0.127 176.478 176.600 -0.416 0.000 1.007 353 E CA 0.786 56.746 56.400 -0.733 0.000 0.890 353 E CB 0.338 29.871 29.700 -0.278 0.000 0.891 353 E HN 0.621 nan 8.360 nan 0.000 0.496 354 D N -0.798 119.489 120.400 -0.188 0.000 2.585 354 D HA 0.645 5.285 4.640 -0.000 0.000 0.254 354 D C -0.782 175.451 176.300 -0.111 0.000 1.067 354 D CA -1.164 52.803 54.000 -0.055 0.000 1.090 354 D CB 1.243 42.084 40.800 0.068 0.000 1.408 354 D HN -0.052 nan 8.370 nan 0.000 0.554 355 A N -1.089 121.569 122.820 -0.270 0.000 2.604 355 A HA 0.729 5.049 4.320 -0.000 0.000 0.295 355 A C -0.418 176.782 177.584 -0.640 0.000 1.067 355 A CA -0.526 51.083 52.037 -0.713 0.000 0.683 355 A CB 1.490 20.192 19.000 -0.495 0.000 1.281 355 A HN 0.805 nan 8.150 nan 0.000 0.407 356 G N -0.136 108.155 108.800 -0.848 0.000 2.325 356 G HA2 0.534 4.494 3.960 -0.000 0.000 0.298 356 G HA3 0.534 4.494 3.960 -0.000 0.000 0.298 356 G C -0.868 173.698 174.900 -0.556 0.000 1.134 356 G CA -0.268 44.565 45.100 -0.445 0.000 0.876 356 G HN 0.892 nan 8.290 nan 0.000 0.452 357 F N 3.354 122.836 119.950 -0.781 0.000 2.411 357 F HA 0.705 5.232 4.527 -0.000 0.000 0.352 357 F C -1.263 174.151 175.800 -0.644 0.000 1.123 357 F CA -1.366 56.289 58.000 -0.576 0.000 1.044 357 F CB 0.931 39.684 39.000 -0.411 0.000 1.135 357 F HN 0.296 nan 8.300 nan 0.000 0.461 358 F N 7.717 127.367 119.950 -0.499 0.000 2.499 358 F HA 0.368 4.895 4.527 -0.000 0.000 0.333 358 F C -0.996 174.555 175.800 -0.416 0.000 1.138 358 F CA -0.949 56.865 58.000 -0.309 0.000 0.945 358 F CB 1.437 40.283 39.000 -0.257 0.000 1.181 358 F HN 0.372 nan 8.300 nan 0.000 0.435 359 F N 3.094 122.918 119.950 -0.211 0.000 2.482 359 F HA 0.843 5.370 4.527 -0.000 0.000 0.331 359 F C -0.881 174.905 175.800 -0.022 0.000 1.115 359 F CA -0.680 57.219 58.000 -0.169 0.000 0.955 359 F CB 1.079 40.048 39.000 -0.053 0.000 1.136 359 F HN 0.540 nan 8.300 nan 0.000 0.452 360 A N 4.739 127.126 122.820 -0.721 0.000 2.353 360 A HA 0.509 4.829 4.320 -0.000 0.000 0.299 360 A C -1.927 175.192 177.584 -0.776 0.000 1.089 360 A CA -0.532 51.138 52.037 -0.612 0.000 0.736 360 A CB 1.195 20.032 19.000 -0.271 0.000 1.195 360 A HN 0.681 nan 8.150 nan 0.000 0.447 361 D N 3.532 123.530 120.400 -0.669 0.000 2.473 361 D HA 0.591 5.231 4.640 -0.000 0.000 0.253 361 D C -2.802 173.409 176.300 -0.149 0.000 1.233 361 D CA -1.420 52.351 54.000 -0.383 0.000 0.908 361 D CB 2.390 43.011 40.800 -0.299 0.000 1.170 361 D HN 0.224 nan 8.370 nan 0.000 0.558 362 P HA 0.110 nan 4.420 nan 0.000 0.277 362 P C 0.987 178.219 177.300 -0.113 0.000 1.271 362 P CA -0.637 62.412 63.100 -0.085 0.000 0.795 362 P CB 0.952 32.642 31.700 -0.017 0.000 1.101 363 V N -0.342 119.517 119.914 -0.092 0.000 2.358 363 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 363 V C 1.281 177.347 176.094 -0.047 0.000 1.047 363 V CA 1.521 63.771 62.300 -0.083 0.000 1.035 363 V CB -0.884 30.904 31.823 -0.059 0.000 0.658 363 V HN 0.386 nan 8.190 nan 0.000 0.452 364 I N 2.046 122.607 120.570 -0.016 0.000 2.379 364 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 364 I C -2.188 173.925 176.117 -0.007 0.000 1.063 364 I CA -1.750 59.550 61.300 -0.000 0.000 1.351 364 I CB 0.657 38.674 38.000 0.028 0.000 1.410 364 I HN 0.112 nan 8.210 nan 0.000 0.505 365 P HA 0.094 nan 4.420 nan 0.000 0.269 365 P C -2.408 174.893 177.300 0.002 0.000 1.217 365 P CA -0.753 62.341 63.100 -0.010 0.000 0.783 365 P CB -0.298 31.396 31.700 -0.010 0.000 0.898 366 P HA 0.210 nan 4.420 nan 0.000 0.271 366 P C -0.417 176.879 177.300 -0.006 0.000 1.216 366 P CA 0.105 63.205 63.100 -0.001 0.000 0.771 366 P CB 0.631 32.334 31.700 0.005 0.000 0.864 367 R N 1.812 122.304 120.500 -0.014 0.000 2.428 367 R HA 0.197 4.537 4.340 -0.000 0.000 0.294 367 R C 0.853 177.147 176.300 -0.009 0.000 1.000 367 R CA -0.522 55.562 56.100 -0.026 0.000 0.960 367 R CB 1.087 31.358 30.300 -0.048 0.000 1.076 367 R HN 0.452 nan 8.270 nan 0.000 0.475 368 E N 1.378 121.576 120.200 -0.004 0.000 2.170 368 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 368 E C -0.128 176.493 176.600 0.035 0.000 0.981 368 E CA 1.007 57.422 56.400 0.024 0.000 0.830 368 E CB 0.491 30.219 29.700 0.046 0.000 0.775 368 E HN 0.321 nan 8.360 nan 0.000 0.470 369 R N -0.836 119.672 120.500 0.013 0.000 2.604 369 R HA 0.367 4.707 4.340 -0.000 0.000 0.261 369 R C -1.829 174.460 176.300 -0.018 0.000 1.080 369 R CA -0.505 55.627 56.100 0.054 0.000 0.917 369 R CB 1.657 32.057 30.300 0.168 0.000 1.252 369 R HN 0.004 nan 8.270 nan 0.000 0.456 370 V N 0.464 120.411 119.914 0.055 0.000 3.040 370 V HA 0.773 4.893 4.120 -0.000 0.000 0.312 370 V C -0.695 175.530 176.094 0.219 0.000 1.115 370 V CA -0.843 61.497 62.300 0.067 0.000 0.998 370 V CB 2.342 34.188 31.823 0.039 0.000 1.042 370 V HN 0.703 nan 8.190 nan 0.000 0.433 371 I N 2.223 122.979 120.570 0.310 0.000 2.534 371 I HA 0.632 4.802 4.170 -0.000 0.000 0.288 371 I C -0.532 175.763 176.117 0.296 0.000 1.077 371 I CA -0.370 61.131 61.300 0.335 0.000 1.051 371 I CB 2.621 40.904 38.000 0.472 0.000 1.234 371 I HN 0.950 nan 8.210 nan 0.000 0.425 372 T N 2.263 116.939 114.554 0.203 0.000 2.847 372 T HA 0.649 4.999 4.350 -0.000 0.000 0.291 372 T C -0.642 174.090 174.700 0.053 0.000 0.998 372 T CA -0.869 61.280 62.100 0.081 0.000 0.967 372 T CB 1.397 70.343 68.868 0.131 0.000 0.954 372 T HN 0.499 nan 8.240 nan 0.000 0.441 373 K N 2.530 122.938 120.400 0.013 0.000 2.466 373 K HA 0.753 5.073 4.320 -0.000 0.000 0.260 373 K C -1.291 175.287 176.600 -0.038 0.000 1.011 373 K CA -1.132 55.210 56.287 0.091 0.000 0.871 373 K CB 2.894 35.568 32.500 0.291 0.000 1.404 373 K HN 0.607 nan 8.250 nan 0.000 0.450 374 M N 0.679 120.309 119.600 0.049 0.000 2.365 374 M HA 0.522 5.002 4.480 -0.000 0.000 0.287 374 M C -1.583 174.732 176.300 0.025 0.000 1.154 374 M CA -0.172 55.111 55.300 -0.028 0.000 0.941 374 M CB 2.304 34.940 32.600 0.060 0.000 1.704 374 M HN 0.850 nan 8.290 nan 0.000 0.479 375 G N 2.622 111.317 108.800 -0.176 0.000 2.338 375 G HA2 0.180 4.140 3.960 -0.000 0.000 0.295 375 G HA3 0.180 4.140 3.960 -0.000 0.000 0.295 375 G C -0.756 174.029 174.900 -0.191 0.000 1.461 375 G CA -0.678 44.378 45.100 -0.072 0.000 0.817 375 G HN 0.779 nan 8.290 nan 0.000 0.556 376 K N -0.290 120.151 120.400 0.069 0.000 2.097 376 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 376 K C 2.276 179.049 176.600 0.288 0.000 1.049 376 K CA 2.204 58.596 56.287 0.175 0.000 0.933 376 K CB -0.114 32.568 32.500 0.302 0.000 0.717 376 K HN 0.695 nan 8.250 nan 0.000 0.442 377 W N 0.924 122.373 121.300 0.248 0.000 2.321 377 W HA -0.193 4.467 4.660 -0.000 0.000 0.306 377 W C 1.634 178.301 176.519 0.246 0.000 1.217 377 W CA 1.127 58.616 57.345 0.239 0.000 1.257 377 W CB -0.913 28.600 29.460 0.089 0.000 1.145 377 W HN 0.006 nan 8.180 nan 0.000 0.509 378 A N 0.785 123.098 122.820 -0.845 0.000 2.014 378 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 378 A C 2.174 179.614 177.584 -0.239 0.000 1.163 378 A CA 1.609 53.149 52.037 -0.828 0.000 0.652 378 A CB -1.482 16.733 19.000 -1.309 0.000 0.808 378 A HN 0.617 nan 8.150 nan 0.000 0.449 379 H N -1.633 117.276 119.070 -0.268 0.000 2.357 379 H HA -0.177 4.379 4.556 -0.000 0.000 0.301 379 H C 1.709 176.924 175.328 -0.187 0.000 1.082 379 H CA 2.130 58.023 56.048 -0.257 0.000 1.342 379 H CB -0.150 29.364 29.762 -0.414 0.000 1.389 379 H HN 0.564 nan 8.280 nan 0.000 0.511 380 Y N -0.533 119.710 120.300 -0.094 0.000 2.314 380 Y HA -0.130 4.420 4.550 -0.000 0.000 0.293 380 Y C 2.651 178.547 175.900 -0.008 0.000 1.129 380 Y CA 1.004 59.042 58.100 -0.103 0.000 1.201 380 Y CB -0.711 37.774 38.460 0.042 0.000 0.999 380 Y HN 0.165 nan 8.280 nan 0.000 0.541 381 F N 0.981 120.991 119.950 0.099 0.000 2.134 381 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 381 F C 2.457 178.311 175.800 0.090 0.000 1.097 381 F CA 1.657 59.724 58.000 0.111 0.000 1.264 381 F CB -0.023 39.069 39.000 0.154 0.000 1.001 381 F HN -0.092 nan 8.300 nan 0.000 0.479 382 K N 0.004 120.588 120.400 0.307 0.000 2.032 382 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 382 K C 1.825 178.526 176.600 0.169 0.000 1.048 382 K CA 2.326 58.752 56.287 0.231 0.000 0.927 382 K CB -0.712 31.840 32.500 0.087 0.000 0.712 382 K HN 0.204 nan 8.250 nan 0.000 0.441 383 T N 0.417 114.951 114.554 -0.034 0.000 2.708 383 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 383 T C 1.885 176.592 174.700 0.011 0.000 1.037 383 T CA 1.305 63.367 62.100 -0.062 0.000 1.146 383 T CB -0.579 68.179 68.868 -0.183 0.000 0.865 383 T HN 0.390 nan 8.240 nan 0.000 0.435 384 A N 1.390 124.222 122.820 0.019 0.000 1.883 384 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 384 A C 2.042 179.663 177.584 0.061 0.000 1.186 384 A CA 1.690 53.718 52.037 -0.014 0.000 0.624 384 A CB -1.134 17.788 19.000 -0.130 0.000 0.822 384 A HN 0.479 nan 8.150 nan 0.000 0.444 385 F N 0.802 120.783 119.950 0.051 0.000 2.171 385 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 385 F C 2.181 178.087 175.800 0.176 0.000 1.090 385 F CA 2.084 60.213 58.000 0.215 0.000 1.293 385 F CB -0.253 38.963 39.000 0.360 0.000 1.013 385 F HN 0.488 nan 8.300 nan 0.000 0.486 386 E N 0.280 120.500 120.200 0.033 0.000 2.058 386 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 386 E C 2.068 178.399 176.600 -0.449 0.000 0.997 386 E CA 1.518 57.671 56.400 -0.412 0.000 0.801 386 E CB -0.014 29.617 29.700 -0.115 0.000 0.746 386 E HN 0.210 nan 8.360 nan 0.000 0.450 387 K N 0.076 120.370 120.400 -0.177 0.000 2.057 387 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 387 K C 2.079 178.654 176.600 -0.041 0.000 1.049 387 K CA 1.212 57.442 56.287 -0.096 0.000 0.931 387 K CB -0.921 31.556 32.500 -0.038 0.000 0.714 387 K HN 0.325 nan 8.250 nan 0.000 0.440 388 Y N 0.722 120.911 120.300 -0.185 0.000 2.097 388 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 388 Y C 2.216 178.038 175.900 -0.129 0.000 1.152 388 Y CA 1.360 59.375 58.100 -0.143 0.000 1.136 388 Y CB -0.712 37.656 38.460 -0.152 0.000 0.975 388 Y HN 0.010 nan 8.280 nan 0.000 0.498 389 F N -0.065 119.488 119.950 -0.661 0.000 2.134 389 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 389 F C 2.074 177.620 175.800 -0.424 0.000 1.097 389 F CA 1.616 59.209 58.000 -0.678 0.000 1.264 389 F CB -0.436 38.159 39.000 -0.674 0.000 1.001 389 F HN 0.050 nan 8.300 nan 0.000 0.479 390 L N -1.444 119.651 121.223 -0.214 0.000 2.083 390 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 390 L C 2.227 179.023 176.870 -0.123 0.000 1.083 390 L CA 1.598 56.370 54.840 -0.113 0.000 0.752 390 L CB -0.845 41.163 42.059 -0.086 0.000 0.899 390 L HN 0.413 nan 8.230 nan 0.000 0.433 391 W N 1.232 122.374 121.300 -0.264 0.000 2.358 391 W HA -0.205 4.455 4.660 -0.000 0.000 0.303 391 W C 2.487 178.828 176.519 -0.296 0.000 1.208 391 W CA 1.447 58.661 57.345 -0.217 0.000 1.274 391 W CB 0.064 29.433 29.460 -0.151 0.000 1.138 391 W HN -0.099 nan 8.180 nan 0.000 0.515 392 K N -0.245 119.968 120.400 -0.311 0.000 2.057 392 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 392 K C 1.777 178.029 176.600 -0.580 0.000 1.049 392 K CA 1.927 57.879 56.287 -0.559 0.000 0.931 392 K CB -0.840 31.224 32.500 -0.726 0.000 0.714 392 K HN 0.111 nan 8.250 nan 0.000 0.440 393 V N 1.513 121.079 119.914 -0.580 0.000 2.332 393 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 393 V C 2.178 178.175 176.094 -0.161 0.000 1.055 393 V CA 1.715 63.782 62.300 -0.388 0.000 1.038 393 V CB -0.490 30.971 31.823 -0.604 0.000 0.651 393 V HN 0.297 nan 8.190 nan 0.000 0.450 394 R N 0.001 120.344 120.500 -0.262 0.000 2.235 394 R HA -0.035 4.305 4.340 -0.000 0.000 0.213 394 R C 1.290 177.458 176.300 -0.220 0.000 1.059 394 R CA 1.231 57.222 56.100 -0.182 0.000 0.997 394 R CB -0.190 29.986 30.300 -0.206 0.000 0.884 394 R HN 0.569 nan 8.270 nan 0.000 0.462 395 N N -1.255 117.103 118.700 -0.570 0.000 2.184 395 N HA 0.107 4.847 4.740 -0.000 0.000 0.206 395 N C 0.298 175.291 175.510 -0.861 0.000 1.151 395 N CA 0.529 53.160 53.050 -0.698 0.000 0.878 395 N CB 1.751 39.413 38.487 -1.375 0.000 1.014 395 N HN 0.217 nan 8.380 nan 0.000 0.512 396 G N 0.879 108.919 108.800 -1.268 0.000 2.143 396 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.248 396 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.248 396 G C -0.309 173.787 174.900 -1.340 0.000 0.991 396 G CA -0.140 43.556 45.100 -2.340 0.000 0.689 396 G HN 0.383 nan 8.290 nan 0.000 0.522 397 N N -0.129 118.149 118.700 -0.704 0.000 2.558 397 N HA 0.426 5.166 4.740 -0.000 0.000 0.285 397 N C 0.990 176.361 175.510 -0.233 0.000 1.112 397 N CA -0.870 51.968 53.050 -0.353 0.000 0.857 397 N CB 0.738 39.072 38.487 -0.256 0.000 1.376 397 N HN -0.104 nan 8.380 nan 0.000 0.526 398 I N 0.803 121.287 120.570 -0.143 0.000 3.419 398 I HA 0.188 4.358 4.170 -0.000 0.000 0.286 398 I C 0.833 176.868 176.117 -0.137 0.000 1.268 398 I CA 0.456 61.611 61.300 -0.241 0.000 1.414 398 I CB -0.792 37.063 38.000 -0.243 0.000 1.074 398 I HN 0.541 nan 8.210 nan 0.000 0.457 399 A N 3.120 125.883 122.820 -0.094 0.000 3.258 399 A HA 0.496 4.816 4.320 -0.000 0.000 0.318 399 A C -2.395 175.147 177.584 -0.069 0.000 0.990 399 A CA -0.992 51.008 52.037 -0.062 0.000 0.885 399 A CB -0.346 18.631 19.000 -0.038 0.000 1.090 399 A HN -0.054 nan 8.150 nan 0.000 0.479 400 P HA 0.039 nan 4.420 nan 0.000 0.268 400 P C 1.192 178.425 177.300 -0.113 0.000 1.205 400 P CA 0.488 63.566 63.100 -0.038 0.000 0.771 400 P CB 1.210 32.942 31.700 0.053 0.000 0.858 401 S N 3.012 118.718 115.700 0.010 0.000 2.400 401 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 401 S C 1.761 176.374 174.600 0.022 0.000 1.025 401 S CA 1.211 59.422 58.200 0.018 0.000 0.993 401 S CB -1.536 61.701 63.200 0.063 0.000 0.808 401 S HN 0.554 nan 8.310 nan 0.000 0.478 402 F N 2.050 122.034 119.950 0.057 0.000 2.216 402 F HA 0.144 4.671 4.527 -0.000 0.000 0.300 402 F C 2.231 178.071 175.800 0.067 0.000 1.085 402 F CA 1.101 59.131 58.000 0.049 0.000 1.326 402 F CB -0.683 38.338 39.000 0.035 0.000 1.027 402 F HN 0.283 nan 8.300 nan 0.000 0.497 403 E N 0.707 120.366 120.200 -0.901 0.000 2.077 403 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 403 E C 2.252 178.766 176.600 -0.143 0.000 0.989 403 E CA 1.329 57.391 56.400 -0.564 0.000 0.800 403 E CB -0.307 29.114 29.700 -0.465 0.000 0.746 403 E HN 0.715 nan 8.360 nan 0.000 0.452 404 E N 0.460 120.595 120.200 -0.107 0.000 2.077 404 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 404 E C 1.931 178.518 176.600 -0.021 0.000 0.989 404 E CA 1.257 57.633 56.400 -0.038 0.000 0.800 404 E CB 0.132 29.814 29.700 -0.030 0.000 0.746 404 E HN 0.162 nan 8.360 nan 0.000 0.452 405 K N 0.026 120.429 120.400 0.006 0.000 2.026 405 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 405 K C 2.220 178.854 176.600 0.058 0.000 1.048 405 K CA 1.367 57.672 56.287 0.030 0.000 0.929 405 K CB -0.104 32.437 32.500 0.068 0.000 0.713 405 K HN 0.059 nan 8.250 nan 0.000 0.439 406 V N 1.700 121.690 119.914 0.125 0.000 2.343 406 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 406 V C 2.220 178.462 176.094 0.246 0.000 1.051 406 V CA 1.410 63.849 62.300 0.232 0.000 1.036 406 V CB -0.373 31.625 31.823 0.291 0.000 0.654 406 V HN 0.197 nan 8.190 nan 0.000 0.451 407 L N 0.117 121.419 121.223 0.131 0.000 2.083 407 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 407 L C 2.483 179.371 176.870 0.029 0.000 1.083 407 L CA 2.005 56.899 54.840 0.090 0.000 0.752 407 L CB -1.132 40.959 42.059 0.054 0.000 0.899 407 L HN 0.494 nan 8.230 nan 0.000 0.433 408 E N 0.507 120.687 120.200 -0.034 0.000 2.051 408 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 408 E C 2.160 178.714 176.600 -0.077 0.000 0.991 408 E CA 1.887 58.214 56.400 -0.122 0.000 0.799 408 E CB -0.428 29.150 29.700 -0.204 0.000 0.748 408 E HN 0.554 nan 8.360 nan 0.000 0.449 409 I N -2.111 118.416 120.570 -0.072 0.000 2.439 409 I HA -0.043 4.127 4.170 -0.000 0.000 0.251 409 I C 1.695 177.657 176.117 -0.260 0.000 1.139 409 I CA 1.180 62.371 61.300 -0.181 0.000 1.438 409 I CB -0.277 37.564 38.000 -0.264 0.000 1.085 409 I HN -0.044 nan 8.210 nan 0.000 0.427 410 F N 0.745 120.661 119.950 -0.057 0.000 2.262 410 F HA 0.276 4.803 4.527 -0.000 0.000 0.292 410 F C 1.783 177.510 175.800 -0.121 0.000 1.081 410 F CA 1.040 58.993 58.000 -0.079 0.000 1.355 410 F CB 0.058 39.020 39.000 -0.064 0.000 1.069 410 F HN -0.048 nan 8.300 nan 0.000 0.506 411 L N -0.920 120.319 121.223 0.025 0.000 2.966 411 L HA 0.215 4.555 4.340 -0.000 0.000 0.262 411 L C 0.205 177.075 176.870 -0.001 0.000 1.165 411 L CA -0.002 54.751 54.840 -0.144 0.000 0.978 411 L CB 0.021 41.758 42.059 -0.538 0.000 1.337 411 L HN -0.048 nan 8.230 nan 0.000 0.563 412 K N 0.073 120.482 120.400 0.016 0.000 3.069 412 K HA -0.149 4.171 4.320 -0.000 0.000 0.267 412 K C -0.200 176.447 176.600 0.079 0.000 1.082 412 K CA 0.113 56.427 56.287 0.045 0.000 0.782 412 K CB -1.865 30.699 32.500 0.106 0.000 1.230 412 K HN 0.072 nan 8.250 nan 0.000 0.488 413 V N 2.219 122.148 119.914 0.025 0.000 2.461 413 V HA 0.099 4.219 4.120 -0.000 0.000 0.275 413 V C 0.635 176.662 176.094 -0.112 0.000 1.047 413 V CA -0.227 62.120 62.300 0.079 0.000 0.955 413 V CB 0.850 32.749 31.823 0.125 0.000 0.988 413 V HN 0.194 nan 8.190 nan 0.000 0.471 414 H N 7.307 126.431 119.070 0.090 0.000 2.551 414 H HA 0.268 4.824 4.556 -0.000 0.000 0.321 414 H C -1.662 173.700 175.328 0.056 0.000 1.028 414 H CA -1.688 54.396 56.048 0.061 0.000 1.215 414 H CB 2.196 31.990 29.762 0.053 0.000 1.414 414 H HN 0.454 nan 8.280 nan 0.000 0.480 415 P HA -0.055 nan 4.420 nan 0.000 0.217 415 P C 0.610 177.948 177.300 0.064 0.000 1.151 415 P CA 1.090 64.234 63.100 0.074 0.000 0.828 415 P CB 0.946 32.668 31.700 0.037 0.000 0.788 416 I N -4.237 116.368 120.570 0.059 0.000 2.969 416 I HA 0.593 4.763 4.170 -0.000 0.000 0.307 416 I C -1.130 175.061 176.117 0.123 0.000 1.149 416 I CA -1.349 59.991 61.300 0.066 0.000 1.008 416 I CB 2.940 40.924 38.000 -0.026 0.000 1.232 416 I HN -0.303 nan 8.210 nan 0.000 0.435 417 E N 3.787 124.100 120.200 0.188 0.000 2.288 417 E HA 0.492 4.842 4.350 -0.000 0.000 0.268 417 E C -1.301 175.437 176.600 0.231 0.000 0.885 417 E CA -1.006 55.501 56.400 0.177 0.000 0.767 417 E CB 3.119 32.877 29.700 0.097 0.000 1.220 417 E HN 0.518 nan 8.360 nan 0.000 0.427 418 L N 1.720 123.018 121.223 0.124 0.000 2.559 418 L HA 0.009 4.349 4.340 -0.000 0.000 0.274 418 L C -0.107 176.720 176.870 -0.071 0.000 1.205 418 L CA -0.059 54.708 54.840 -0.122 0.000 0.907 418 L CB 0.233 42.218 42.059 -0.125 0.000 1.153 418 L HN 0.544 nan 8.230 nan 0.000 0.490 419 c N 5.298 123.834 118.600 -0.107 0.000 2.264 419 c HA 0.163 4.733 4.570 -0.000 0.000 0.324 419 c C 1.512 175.573 174.090 -0.049 0.000 1.267 419 c CA -0.833 55.476 56.329 -0.033 0.000 1.618 419 c CB 0.547 43.070 42.510 0.021 0.000 2.278 419 c HN 0.965 nan 8.230 nan 0.000 0.499 420 K N 2.078 122.460 120.400 -0.030 0.000 2.155 420 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 420 K C -0.043 176.548 176.600 -0.015 0.000 1.052 420 K CA 1.312 57.582 56.287 -0.027 0.000 0.948 420 K CB 0.145 32.634 32.500 -0.018 0.000 0.728 420 K HN 0.789 nan 8.250 nan 0.000 0.448 421 D N -0.994 119.403 120.400 -0.005 0.000 2.478 421 D HA 0.120 4.760 4.640 -0.000 0.000 0.240 421 D C -0.057 176.249 176.300 0.011 0.000 1.364 421 D CA -0.545 53.456 54.000 0.001 0.000 0.987 421 D CB 0.821 41.621 40.800 -0.000 0.000 1.328 421 D HN 0.013 nan 8.370 nan 0.000 0.584 422 c N 2.340 120.949 118.600 0.016 0.000 2.432 422 c HA 0.024 4.594 4.570 -0.000 0.000 0.282 422 c C 1.260 175.357 174.090 0.011 0.000 1.388 422 c CA 0.098 56.445 56.329 0.030 0.000 1.777 422 c CB -0.928 41.609 42.510 0.046 0.000 1.882 422 c HN 0.563 nan 8.230 nan 0.000 0.520 423 E N 0.231 120.431 120.200 -0.000 0.000 2.417 423 E HA 0.412 4.762 4.350 -0.000 0.000 0.261 423 E C 0.435 177.027 176.600 -0.013 0.000 1.000 423 E CA 0.687 57.079 56.400 -0.013 0.000 0.919 423 E CB 0.056 29.748 29.700 -0.014 0.000 0.955 423 E HN 0.576 nan 8.360 nan 0.000 0.455 424 G N 2.057 110.843 108.800 -0.024 0.000 2.351 424 G HA2 0.256 4.216 3.960 -0.000 0.000 0.353 424 G HA3 0.256 4.216 3.960 -0.000 0.000 0.353 424 G C -0.932 173.944 174.900 -0.040 0.000 1.358 424 G CA -0.593 44.493 45.100 -0.023 0.000 0.995 424 G HN 0.697 nan 8.290 nan 0.000 0.611 425 A N 1.115 123.913 122.820 -0.038 0.000 2.445 425 A HA 0.694 5.014 4.320 -0.000 0.000 0.242 425 A C -1.574 175.967 177.584 -0.071 0.000 1.075 425 A CA -0.385 51.618 52.037 -0.057 0.000 0.777 425 A CB -0.165 18.815 19.000 -0.034 0.000 1.013 425 A HN 0.676 nan 8.150 nan 0.000 0.493 426 P HA 0.237 nan 4.420 nan 0.000 0.271 426 P C 0.869 178.178 177.300 0.016 0.000 1.216 426 P CA 1.385 64.382 63.100 -0.172 0.000 0.771 426 P CB 0.965 32.334 31.700 -0.551 0.000 0.864 427 G N 1.981 110.855 108.800 0.123 0.000 2.217 427 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 427 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 427 G C 0.341 175.282 174.900 0.069 0.000 0.990 427 G CA 0.342 45.511 45.100 0.116 0.000 0.627 427 G HN 0.884 nan 8.290 nan 0.000 0.522 428 S N 0.948 116.675 115.700 0.046 0.000 2.592 428 S HA 0.710 5.180 4.470 -0.000 0.000 0.271 428 S C 0.398 175.022 174.600 0.040 0.000 1.326 428 S CA -0.531 57.688 58.200 0.032 0.000 1.024 428 S CB 1.351 64.560 63.200 0.015 0.000 0.921 428 S HN 0.482 nan 8.310 nan 0.000 0.527 429 R N 1.366 121.885 120.500 0.032 0.000 2.265 429 R HA 0.379 4.719 4.340 -0.000 0.000 0.314 429 R C 0.135 176.451 176.300 0.026 0.000 1.053 429 R CA -0.550 55.570 56.100 0.033 0.000 0.931 429 R CB -0.448 29.867 30.300 0.026 0.000 1.024 429 R HN 0.748 nan 8.270 nan 0.000 0.457 430 c N 0.000 118.618 118.600 0.030 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.342 56.329 0.021 0.000 1.963 430 c CB 0.000 42.523 42.510 0.023 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568