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 3iaf_1_B DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGXHID TIFQACLDHD VPIIDTRHEA DATA SEQUENCE AAGHAAEGYA RAGAKLGVAL VTAGGGFTNA VTPIANAWLD RTPVLFLTGS DATA SEQUENCE GALRDDETNT LQAGIDQVAM AAPITKWAHR VMATEHIPRL VMQAIRAALS DATA SEQUENCE APRGPVLLDL PWDILMNQID EDSVIIPDLV LSAHGARPDP ADLDQALALL DATA SEQUENCE RKAERPVIVL GSEASRTARK TALSAFVAAT GVPVFADYEG LSMLSGLPDA DATA SEQUENCE MRGGLVQNLY SFAKADAAPD LVLMLGARFG LNTGHGSGQL IPHSAQVIQV DATA SEQUENCE DPDACELGRL QGIALGIVAD VGGTIEALAQ ATAQDAAWPD RGDWCAKVTD DATA SEQUENCE LAQERYASIA AKSSSEHALH PFHASQVIAK HVDAGVTVVA DGALTYLWLS DATA SEQUENCE EVMSRVKPGG FLCHGYLGSM GVGFGTALGA QVADLEAGRR TILVTGDGSV DATA SEQUENCE GYSIGEFDTL VRKQLPLIVI IMNNQSWGAT LHFQQLAVGP NRVTGTRLEN DATA SEQUENCE GSYHGVAAAF GADGYHVDSV ESFSAALAQA LAHNRPACIN VAVALDPIPP DATA SEQUENCE EELI 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 0.000 177.589 177.584 0.008 0.000 1.274 2 A CA 0.000 52.041 52.037 0.007 0.000 0.836 2 A CB 0.000 19.004 19.000 0.007 0.000 0.831 3 M N 1.300 120.904 119.600 0.007 0.000 2.209 3 M HA 0.543 5.024 4.480 0.001 0.000 0.355 3 M C -0.342 175.967 176.300 0.014 0.000 1.171 3 M CA -0.222 55.082 55.300 0.008 0.000 1.069 3 M CB 0.009 32.610 32.600 0.003 0.000 1.622 3 M HN 0.706 nan 8.290 nan 0.000 0.459 4 I N -0.401 120.180 120.570 0.018 0.000 2.785 4 I HA 0.726 4.897 4.170 0.001 0.000 0.302 4 I C 0.531 176.664 176.117 0.027 0.000 1.069 4 I CA -0.854 60.462 61.300 0.027 0.000 1.045 4 I CB 2.059 40.082 38.000 0.037 0.000 1.236 4 I HN 0.716 nan 8.210 nan 0.000 0.429 5 T N 1.546 116.122 114.554 0.037 0.000 2.726 5 T HA 0.350 4.700 4.350 0.001 0.000 0.294 5 T C 1.198 175.922 174.700 0.040 0.000 1.013 5 T CA 0.181 62.304 62.100 0.038 0.000 0.996 5 T CB 1.072 69.972 68.868 0.054 0.000 1.016 5 T HN 0.897 nan 8.240 nan 0.000 0.529 6 G N 0.057 108.882 108.800 0.041 0.000 2.404 6 G HA2 0.109 4.070 3.960 0.001 0.000 0.214 6 G HA3 0.109 4.070 3.960 0.001 0.000 0.214 6 G C 1.656 176.591 174.900 0.058 0.000 1.189 6 G CA 0.485 45.611 45.100 0.044 0.000 0.789 6 G HN 1.034 nan 8.290 nan 0.000 0.533 7 G N 0.190 109.034 108.800 0.074 0.000 2.448 7 G HA2 -0.142 3.818 3.960 0.001 0.000 0.219 7 G HA3 -0.142 3.818 3.960 0.001 0.000 0.219 7 G C 1.578 176.517 174.900 0.064 0.000 1.127 7 G CA 1.059 46.204 45.100 0.075 0.000 0.766 7 G HN 0.369 nan 8.290 nan 0.000 0.552 8 E N 0.367 120.609 120.200 0.071 0.000 2.118 8 E HA -0.068 4.283 4.350 0.001 0.000 0.195 8 E C 2.615 179.247 176.600 0.054 0.000 0.992 8 E CA 0.624 57.071 56.400 0.079 0.000 0.804 8 E CB -0.213 29.536 29.700 0.081 0.000 0.741 8 E HN 0.479 nan 8.360 nan 0.000 0.458 9 L N -0.137 121.111 121.223 0.042 0.000 2.056 9 L HA -0.179 4.162 4.340 0.001 0.000 0.207 9 L C 2.594 179.475 176.870 0.018 0.000 1.078 9 L CA 0.642 55.499 54.840 0.029 0.000 0.749 9 L CB -0.408 41.672 42.059 0.035 0.000 0.901 9 L HN -0.008 nan 8.230 nan 0.000 0.433 10 V N -0.598 119.332 119.914 0.026 0.000 2.231 10 V HA -0.297 3.824 4.120 0.001 0.000 0.248 10 V C 2.419 178.504 176.094 -0.014 0.000 1.054 10 V CA 1.937 64.248 62.300 0.019 0.000 1.015 10 V CB -0.564 31.276 31.823 0.029 0.000 0.638 10 V HN 0.215 nan 8.190 nan 0.000 0.444 11 V N -0.125 119.772 119.914 -0.029 0.000 2.332 11 V HA -0.272 3.848 4.120 0.001 0.000 0.248 11 V C 2.590 178.587 176.094 -0.162 0.000 1.055 11 V CA 2.124 64.374 62.300 -0.084 0.000 1.038 11 V CB -0.899 30.892 31.823 -0.054 0.000 0.651 11 V HN 0.467 nan 8.190 nan 0.000 0.450 12 R N -0.041 120.367 120.500 -0.153 0.000 2.075 12 R HA -0.121 4.220 4.340 0.001 0.000 0.232 12 R C 2.379 178.620 176.300 -0.099 0.000 1.126 12 R CA 1.894 57.890 56.100 -0.174 0.000 0.963 12 R CB -0.730 29.511 30.300 -0.097 0.000 0.858 12 R HN 0.535 nan 8.270 nan 0.000 0.435 13 T N 1.519 116.043 114.554 -0.050 0.000 2.915 13 T HA -0.035 4.316 4.350 0.001 0.000 0.269 13 T C 1.862 176.547 174.700 -0.025 0.000 1.071 13 T CA 0.780 62.868 62.100 -0.021 0.000 1.132 13 T CB -0.030 68.843 68.868 0.009 0.000 0.878 13 T HN 0.131 nan 8.240 nan 0.000 0.479 14 L N 0.060 121.257 121.223 -0.042 0.000 2.109 14 L HA 0.076 4.416 4.340 0.001 0.000 0.207 14 L C 2.245 179.083 176.870 -0.053 0.000 1.086 14 L CA 1.051 55.867 54.840 -0.040 0.000 0.760 14 L CB -0.384 41.645 42.059 -0.050 0.000 0.910 14 L HN 0.279 nan 8.230 nan 0.000 0.437 15 I N -0.662 119.855 120.570 -0.088 0.000 2.500 15 I HA -0.224 3.947 4.170 0.001 0.000 0.252 15 I C 2.440 178.525 176.117 -0.053 0.000 1.142 15 I CA 0.877 62.126 61.300 -0.085 0.000 1.451 15 I CB -0.215 37.705 38.000 -0.133 0.000 1.093 15 I HN 0.117 nan 8.210 nan 0.000 0.430 16 K N 1.405 121.776 120.400 -0.049 0.000 2.209 16 K HA -0.123 4.197 4.320 0.001 0.000 0.204 16 K C 2.124 178.715 176.600 -0.016 0.000 1.048 16 K CA 1.181 57.451 56.287 -0.028 0.000 0.940 16 K CB -0.045 32.441 32.500 -0.023 0.000 0.729 16 K HN 0.337 nan 8.250 nan 0.000 0.451 17 A N -0.137 122.676 122.820 -0.013 0.000 2.014 17 A HA 0.068 4.389 4.320 0.001 0.000 0.218 17 A C 1.549 179.135 177.584 0.002 0.000 1.163 17 A CA 1.340 53.377 52.037 -0.001 0.000 0.652 17 A CB -0.436 18.569 19.000 0.008 0.000 0.808 17 A HN 0.499 nan 8.150 nan 0.000 0.449 18 G N -2.083 106.715 108.800 -0.003 0.000 2.159 18 G HA2 -0.132 3.829 3.960 0.001 0.000 0.227 18 G HA3 -0.132 3.829 3.960 0.001 0.000 0.227 18 G C 0.310 175.225 174.900 0.025 0.000 0.986 18 G CA 0.185 45.288 45.100 0.005 0.000 0.651 18 G HN 1.126 nan 8.290 nan 0.000 0.523 19 V N 0.278 120.208 119.914 0.027 0.000 2.775 19 V HA 0.545 4.666 4.120 0.001 0.000 0.299 19 V C 1.111 177.209 176.094 0.006 0.000 1.062 19 V CA 1.007 63.344 62.300 0.062 0.000 1.063 19 V CB 1.370 33.230 31.823 0.061 0.000 0.994 19 V HN 0.417 nan 8.190 nan 0.000 0.483 20 E N 3.104 123.321 120.200 0.028 0.000 2.572 20 E HA 0.249 4.600 4.350 0.001 0.000 0.220 20 E C -0.749 175.530 176.600 -0.535 0.000 0.945 20 E CA -0.016 56.284 56.400 -0.166 0.000 1.070 20 E CB 0.741 30.403 29.700 -0.064 0.000 1.090 20 E HN 0.866 nan 8.360 nan 0.000 0.506 21 H N -0.995 117.946 119.070 -0.215 0.000 3.016 21 H HA 0.500 5.057 4.556 0.002 0.000 0.362 21 H C -1.461 173.548 175.328 -0.532 0.000 1.233 21 H CA -0.657 55.112 56.048 -0.464 0.000 1.124 21 H CB 1.706 31.022 29.762 -0.743 0.000 1.850 21 H HN -0.153 nan 8.280 nan 0.000 0.549 22 L N 1.477 122.388 121.223 -0.519 0.000 2.388 22 L HA 0.504 4.844 4.340 0.001 0.000 0.264 22 L C -1.490 174.948 176.870 -0.720 0.000 0.998 22 L CA -0.311 54.248 54.840 -0.468 0.000 0.817 22 L CB 1.483 43.359 42.059 -0.304 0.000 1.338 22 L HN 0.492 nan 8.230 nan 0.000 0.414 23 F N 0.976 120.839 119.950 -0.145 0.000 2.477 23 F HA 0.833 5.361 4.527 0.002 0.000 0.335 23 F C 0.659 176.424 175.800 -0.058 0.000 1.130 23 F CA -0.449 57.493 58.000 -0.097 0.000 0.948 23 F CB 1.995 40.934 39.000 -0.103 0.000 1.154 23 F HN 0.479 nan 8.300 nan 0.000 0.439 24 G N 2.482 111.359 108.800 0.127 0.000 2.570 24 G HA2 0.613 4.573 3.960 0.001 0.000 0.310 24 G HA3 0.613 4.573 3.960 0.001 0.000 0.310 24 G C -2.596 172.417 174.900 0.188 0.000 1.266 24 G CA -0.636 44.545 45.100 0.135 0.000 0.825 24 G HN 0.458 nan 8.290 nan 0.000 0.483 25 L N 0.497 121.862 121.223 0.237 0.000 2.472 25 L HA 0.473 4.813 4.340 0.001 0.000 0.260 25 L C -0.939 176.090 176.870 0.266 0.000 0.963 25 L CA -0.684 54.291 54.840 0.224 0.000 0.829 25 L CB 1.891 44.033 42.059 0.139 0.000 1.348 25 L HN 0.797 nan 8.230 nan 0.000 0.408 26 H N 1.969 121.067 119.070 0.048 0.000 2.764 26 H HA 0.493 5.050 4.556 0.001 0.000 0.341 26 H C -0.385 174.851 175.328 -0.154 0.000 1.072 26 H CA 0.914 56.785 56.048 -0.294 0.000 1.444 26 H CB 1.333 30.718 29.762 -0.627 0.000 1.458 26 H HN 0.802 nan 8.280 nan 0.000 0.572 30 I N -1.737 118.772 120.570 -0.102 0.000 3.936 30 I HA 0.331 4.502 4.170 0.001 0.000 0.330 30 I C 1.051 177.222 176.117 0.090 0.000 1.509 30 I CA 0.079 61.400 61.300 0.034 0.000 1.126 30 I CB 0.782 38.826 38.000 0.073 0.000 1.115 30 I HN -0.071 nan 8.210 nan 0.000 0.424 31 D N 1.581 121.976 120.400 -0.008 0.000 2.263 31 D HA -0.229 4.412 4.640 0.001 0.000 0.208 31 D C 2.247 178.687 176.300 0.233 0.000 0.971 31 D CA 1.902 55.977 54.000 0.125 0.000 0.867 31 D CB 0.230 41.140 40.800 0.183 0.000 0.929 31 D HN 0.361 nan 8.370 nan 0.000 0.492 32 T N -0.873 113.796 114.554 0.192 0.000 2.759 32 T HA -0.140 4.211 4.350 0.001 0.000 0.269 32 T C 1.881 176.671 174.700 0.150 0.000 1.042 32 T CA 1.336 63.539 62.100 0.172 0.000 1.140 32 T CB -0.253 68.720 68.868 0.175 0.000 0.864 32 T HN 0.138 nan 8.240 nan 0.000 0.455 33 I N -0.434 120.223 120.570 0.145 0.000 2.193 33 I HA 0.029 4.199 4.170 0.001 0.000 0.240 33 I C 2.237 178.395 176.117 0.068 0.000 1.084 33 I CA 1.111 62.455 61.300 0.073 0.000 1.365 33 I CB -1.526 36.476 38.000 0.002 0.000 1.064 33 I HN 0.235 nan 8.210 nan 0.000 0.410 34 F N 1.721 121.686 119.950 0.025 0.000 2.115 34 F HA -0.266 4.261 4.527 0.000 0.000 0.300 34 F C 2.832 178.676 175.800 0.073 0.000 1.092 34 F CA 1.696 59.731 58.000 0.058 0.000 1.245 34 F CB -0.411 38.661 39.000 0.119 0.000 0.995 34 F HN 0.168 nan 8.300 nan 0.000 0.481 35 Q N -0.442 119.517 119.800 0.266 0.000 2.123 35 Q HA -0.015 4.326 4.340 0.001 0.000 0.199 35 Q C 2.522 178.589 176.000 0.112 0.000 0.966 35 Q CA 1.286 57.190 55.803 0.169 0.000 0.845 35 Q CB -0.965 27.859 28.738 0.144 0.000 0.907 35 Q HN 0.427 nan 8.270 nan 0.000 0.439 36 A N -0.007 122.883 122.820 0.117 0.000 1.969 36 A HA -0.138 4.182 4.320 0.001 0.000 0.218 36 A C 2.448 180.139 177.584 0.179 0.000 1.169 36 A CA 1.144 53.260 52.037 0.133 0.000 0.635 36 A CB -0.736 18.343 19.000 0.132 0.000 0.810 36 A HN 0.424 nan 8.150 nan 0.000 0.445 37 C N -1.243 118.117 119.300 0.099 0.000 2.457 37 C HA 0.030 4.491 4.460 0.001 0.000 0.278 37 C C 2.497 177.518 174.990 0.052 0.000 1.309 37 C CA 0.764 59.816 59.018 0.058 0.000 1.735 37 C CB -1.408 26.289 27.740 -0.072 0.000 1.992 37 C HN 0.700 nan 8.230 nan 0.000 0.493 38 L N 1.311 122.564 121.223 0.050 0.000 2.043 38 L HA -0.156 4.184 4.340 0.001 0.000 0.212 38 L C 1.474 178.337 176.870 -0.012 0.000 1.075 38 L CA 1.929 56.788 54.840 0.033 0.000 0.752 38 L CB -0.351 41.741 42.059 0.055 0.000 0.891 38 L HN 0.541 nan 8.230 nan 0.000 0.432 39 D N -3.266 117.093 120.400 -0.068 0.000 2.722 39 D HA -0.004 4.637 4.640 0.001 0.000 0.239 39 D C 0.230 176.306 176.300 -0.373 0.000 1.249 39 D CA -0.112 53.783 54.000 -0.176 0.000 0.830 39 D CB 0.034 40.719 40.800 -0.192 0.000 1.025 39 D HN 0.502 nan 8.370 nan 0.000 0.486 40 H N -0.091 118.967 119.070 -0.020 0.000 3.230 40 H HA 0.053 4.609 4.556 0.001 0.000 0.259 40 H C -0.266 175.035 175.328 -0.044 0.000 1.195 40 H CA -0.464 55.567 56.048 -0.029 0.000 1.112 40 H CB 0.612 30.354 29.762 -0.035 0.000 1.638 40 H HN -0.040 nan 8.280 nan 0.000 0.624 41 D N 1.564 121.984 120.400 0.034 0.000 2.686 41 D HA -0.153 4.488 4.640 0.001 0.000 0.235 41 D C -0.723 175.552 176.300 -0.041 0.000 1.160 41 D CA 0.350 54.347 54.000 -0.005 0.000 0.645 41 D CB -0.814 39.980 40.800 -0.010 0.000 1.039 41 D HN 0.151 nan 8.370 nan 0.000 0.423 42 V N 1.929 121.818 119.914 -0.041 0.000 2.348 42 V HA 0.313 4.433 4.120 0.001 0.000 0.270 42 V C -1.775 174.234 176.094 -0.142 0.000 1.037 42 V CA -1.242 60.986 62.300 -0.120 0.000 0.872 42 V CB 1.270 33.030 31.823 -0.105 0.000 1.002 42 V HN 0.085 nan 8.190 nan 0.000 0.464 43 P HA 0.340 nan 4.420 nan 0.000 0.276 43 P C -0.393 176.801 177.300 -0.177 0.000 1.264 43 P CA -0.005 63.023 63.100 -0.119 0.000 0.769 43 P CB 0.366 32.048 31.700 -0.030 0.000 0.840 44 I N 4.871 125.339 120.570 -0.169 0.000 2.291 44 I HA 0.225 4.396 4.170 0.001 0.000 0.290 44 I C 0.544 176.582 176.117 -0.131 0.000 1.050 44 I CA -0.508 60.654 61.300 -0.229 0.000 1.245 44 I CB 0.436 38.233 38.000 -0.339 0.000 1.405 44 I HN 0.177 nan 8.210 nan 0.000 0.478 45 I N 6.285 126.724 120.570 -0.219 0.000 2.260 45 I HA 0.029 4.200 4.170 0.001 0.000 0.297 45 I C -0.159 175.968 176.117 0.017 0.000 1.143 45 I CA -0.473 60.762 61.300 -0.109 0.000 1.271 45 I CB -0.361 37.522 38.000 -0.195 0.000 1.461 45 I HN 0.582 nan 8.210 nan 0.000 0.530 46 D N 3.670 124.117 120.400 0.078 0.000 2.339 46 D HA 0.215 4.856 4.640 0.001 0.000 0.256 46 D C 0.791 177.153 176.300 0.103 0.000 1.214 46 D CA -0.625 53.455 54.000 0.134 0.000 0.877 46 D CB 0.762 41.678 40.800 0.192 0.000 1.111 46 D HN 0.495 nan 8.370 nan 0.000 0.478 47 T N 0.541 115.157 114.554 0.104 0.000 2.900 47 T HA 0.261 4.612 4.350 0.001 0.000 0.326 47 T C 1.050 175.780 174.700 0.050 0.000 1.145 47 T CA -0.833 61.304 62.100 0.063 0.000 0.963 47 T CB 0.757 69.660 68.868 0.058 0.000 1.512 47 T HN 0.290 nan 8.240 nan 0.000 0.552 48 R N 0.080 120.594 120.500 0.023 0.000 2.508 48 R HA 0.240 4.581 4.340 0.001 0.000 0.300 48 R C -0.331 176.016 176.300 0.080 0.000 0.970 48 R CA -0.108 56.008 56.100 0.026 0.000 1.102 48 R CB -0.216 30.064 30.300 -0.035 0.000 1.246 48 R HN 0.750 nan 8.270 nan 0.000 0.539 49 H N -0.267 118.791 119.070 -0.019 0.000 3.155 49 H HA 0.141 4.697 4.556 0.001 0.000 0.328 49 H C 0.109 175.436 175.328 -0.000 0.000 1.059 49 H CA -0.471 55.571 56.048 -0.011 0.000 1.378 49 H CB 1.088 30.838 29.762 -0.021 0.000 1.998 49 H HN -0.213 nan 8.280 nan 0.000 0.480 50 E N 3.259 123.672 120.200 0.354 0.000 2.118 50 E HA -0.119 4.232 4.350 0.001 0.000 0.195 50 E C 1.947 178.540 176.600 -0.012 0.000 0.992 50 E CA 1.866 58.354 56.400 0.147 0.000 0.804 50 E CB 0.140 29.911 29.700 0.119 0.000 0.741 50 E HN 0.653 nan 8.360 nan 0.000 0.458 51 A N 0.929 123.631 122.820 -0.197 0.000 1.917 51 A HA -0.207 4.113 4.320 0.001 0.000 0.219 51 A C 2.377 179.761 177.584 -0.333 0.000 1.182 51 A CA 2.055 53.829 52.037 -0.438 0.000 0.633 51 A CB -0.931 17.629 19.000 -0.733 0.000 0.819 51 A HN 0.324 nan 8.150 nan 0.000 0.448 52 A N -0.253 122.433 122.820 -0.224 0.000 1.877 52 A HA 0.159 4.480 4.320 0.001 0.000 0.216 52 A C 2.539 180.106 177.584 -0.029 0.000 1.186 52 A CA 2.181 54.181 52.037 -0.063 0.000 0.620 52 A CB -1.108 17.851 19.000 -0.069 0.000 0.822 52 A HN 1.133 nan 8.150 nan 0.000 0.443 53 A N -0.424 122.396 122.820 -0.001 0.000 1.908 53 A HA 0.061 4.382 4.320 0.001 0.000 0.218 53 A C 2.433 180.005 177.584 -0.021 0.000 1.181 53 A CA 2.123 54.195 52.037 0.059 0.000 0.627 53 A CB -1.468 17.604 19.000 0.120 0.000 0.818 53 A HN 0.754 nan 8.150 nan 0.000 0.445 54 G N -1.262 107.510 108.800 -0.047 0.000 2.421 54 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 54 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 54 G C 1.468 176.304 174.900 -0.106 0.000 1.171 54 G CA 1.112 46.203 45.100 -0.015 0.000 0.775 54 G HN 0.662 nan 8.290 nan 0.000 0.543 55 H N 0.831 119.875 119.070 -0.043 0.000 2.421 55 H HA 0.045 4.602 4.556 0.001 0.000 0.298 55 H C 2.865 178.076 175.328 -0.195 0.000 1.087 55 H CA 1.057 57.051 56.048 -0.089 0.000 1.330 55 H CB -0.490 29.223 29.762 -0.082 0.000 1.388 55 H HN 0.400 nan 8.280 nan 0.000 0.526 56 A N 1.038 123.751 122.820 -0.178 0.000 1.969 56 A HA -0.007 4.314 4.320 0.001 0.000 0.218 56 A C 2.676 179.658 177.584 -1.003 0.000 1.169 56 A CA 1.375 53.114 52.037 -0.496 0.000 0.635 56 A CB -0.606 18.131 19.000 -0.437 0.000 0.810 56 A HN 0.416 nan 8.150 nan 0.000 0.445 57 A N -0.234 122.098 122.820 -0.812 0.000 1.969 57 A HA -0.130 4.191 4.320 0.001 0.000 0.218 57 A C 1.903 179.332 177.584 -0.258 0.000 1.169 57 A CA 1.557 53.245 52.037 -0.582 0.000 0.635 57 A CB -0.405 18.394 19.000 -0.335 0.000 0.810 57 A HN 0.633 nan 8.150 nan 0.000 0.445 58 E N -0.562 119.531 120.200 -0.178 0.000 2.028 58 E HA -0.098 4.253 4.350 0.001 0.000 0.191 58 E C 2.237 178.785 176.600 -0.087 0.000 0.988 58 E CA 0.767 57.125 56.400 -0.070 0.000 0.799 58 E CB -0.429 29.282 29.700 0.017 0.000 0.755 58 E HN 0.576 nan 8.360 nan 0.000 0.447 59 G N 0.770 109.496 108.800 -0.124 0.000 2.553 59 G HA2 -0.357 3.603 3.960 0.001 0.000 0.218 59 G HA3 -0.357 3.603 3.960 0.001 0.000 0.218 59 G C 1.416 176.277 174.900 -0.064 0.000 1.195 59 G CA 1.284 46.319 45.100 -0.108 0.000 0.779 59 G HN 0.351 nan 8.290 nan 0.000 0.577 60 Y N 1.920 122.091 120.300 -0.215 0.000 2.139 60 Y HA -0.180 4.371 4.550 0.001 0.000 0.282 60 Y C 2.925 178.799 175.900 -0.045 0.000 1.179 60 Y CA 2.156 60.201 58.100 -0.092 0.000 1.161 60 Y CB -0.190 38.252 38.460 -0.031 0.000 0.970 60 Y HN 0.263 nan 8.280 nan 0.000 0.511 61 A N -0.007 122.779 122.820 -0.055 0.000 1.970 61 A HA -0.050 4.271 4.320 0.001 0.000 0.216 61 A C 2.188 179.704 177.584 -0.114 0.000 1.170 61 A CA 1.239 53.210 52.037 -0.109 0.000 0.645 61 A CB -0.381 18.608 19.000 -0.019 0.000 0.816 61 A HN 0.537 nan 8.150 nan 0.000 0.447 62 R N -0.559 119.886 120.500 -0.093 0.000 2.080 62 R HA 0.125 4.465 4.340 0.001 0.000 0.222 62 R C 2.480 178.727 176.300 -0.089 0.000 1.107 62 R CA 1.010 57.060 56.100 -0.084 0.000 0.980 62 R CB -0.342 29.909 30.300 -0.082 0.000 0.879 62 R HN 0.451 nan 8.270 nan 0.000 0.439 63 A N 0.588 123.349 122.820 -0.098 0.000 1.873 63 A HA -0.034 4.287 4.320 0.001 0.000 0.215 63 A C 2.044 179.569 177.584 -0.098 0.000 1.186 63 A CA 1.638 53.625 52.037 -0.084 0.000 0.616 63 A CB -0.711 18.249 19.000 -0.066 0.000 0.823 63 A HN 0.435 nan 8.150 nan 0.000 0.442 64 G N -2.300 106.402 108.800 -0.164 0.000 3.337 64 G HA2 0.437 4.397 3.960 0.001 0.000 0.246 64 G HA3 0.437 4.397 3.960 0.001 0.000 0.246 64 G C 0.705 175.509 174.900 -0.161 0.000 1.131 64 G CA 0.618 45.614 45.100 -0.173 0.000 0.773 64 G HN 1.516 nan 8.290 nan 0.000 0.544 65 A N 0.412 123.151 122.820 -0.135 0.000 2.640 65 A HA -0.154 4.167 4.320 0.001 0.000 0.300 65 A C 1.109 178.626 177.584 -0.111 0.000 1.499 65 A CA 1.683 53.658 52.037 -0.103 0.000 0.759 65 A CB -1.745 17.212 19.000 -0.072 0.000 1.048 65 A HN 0.689 nan 8.150 nan 0.000 0.450 66 K N -1.443 118.863 120.400 -0.156 0.000 2.149 66 K HA 0.854 5.175 4.320 0.001 0.000 0.241 66 K C -0.148 176.410 176.600 -0.071 0.000 1.083 66 K CA -0.911 55.302 56.287 -0.123 0.000 0.885 66 K CB 0.570 32.971 32.500 -0.165 0.000 1.374 66 K HN 0.734 nan 8.250 nan 0.000 0.511 67 L N 0.736 121.957 121.223 -0.002 0.000 2.326 67 L HA 0.461 4.801 4.340 0.001 0.000 0.278 67 L C -0.088 176.887 176.870 0.174 0.000 1.092 67 L CA 0.271 55.147 54.840 0.059 0.000 0.810 67 L CB 1.211 43.309 42.059 0.066 0.000 1.153 67 L HN 0.787 nan 8.230 nan 0.000 0.439 68 G N 4.091 112.980 108.800 0.148 0.000 2.410 68 G HA2 0.600 4.560 3.960 0.001 0.000 0.330 68 G HA3 0.600 4.560 3.960 0.001 0.000 0.330 68 G C -1.500 173.440 174.900 0.066 0.000 1.142 68 G CA -0.513 44.726 45.100 0.232 0.000 0.902 68 G HN 0.559 nan 8.290 nan 0.000 0.491 69 V N 0.781 120.751 119.914 0.094 0.000 2.525 69 V HA 0.687 4.808 4.120 0.001 0.000 0.299 69 V C 0.238 176.327 176.094 -0.009 0.000 1.034 69 V CA -0.788 61.504 62.300 -0.014 0.000 0.863 69 V CB 1.218 33.044 31.823 0.005 0.000 0.999 69 V HN 1.124 nan 8.190 nan 0.000 0.423 70 A N 5.519 128.229 122.820 -0.183 0.000 2.324 70 A HA 0.904 5.224 4.320 0.001 0.000 0.330 70 A C -0.880 176.717 177.584 0.021 0.000 1.165 70 A CA -0.568 51.421 52.037 -0.080 0.000 0.813 70 A CB 1.392 20.271 19.000 -0.202 0.000 1.197 70 A HN 0.782 nan 8.150 nan 0.000 0.484 71 L N 4.376 125.635 121.223 0.059 0.000 2.485 71 L HA 0.555 4.896 4.340 0.001 0.000 0.260 71 L C -0.937 175.992 176.870 0.097 0.000 0.998 71 L CA -0.432 54.438 54.840 0.050 0.000 0.883 71 L CB 0.928 42.955 42.059 -0.052 0.000 1.196 71 L HN 0.730 nan 8.230 nan 0.000 0.443 72 V N 1.286 121.275 119.914 0.125 0.000 2.919 72 V HA 0.669 4.790 4.120 0.001 0.000 0.316 72 V C 0.275 176.423 176.094 0.090 0.000 1.077 72 V CA -0.492 61.880 62.300 0.121 0.000 0.977 72 V CB 1.715 33.615 31.823 0.130 0.000 1.039 72 V HN 0.707 nan 8.190 nan 0.000 0.441 73 T N 1.466 116.049 114.554 0.049 0.000 2.732 73 T HA 0.635 4.985 4.350 0.001 0.000 0.287 73 T C 0.516 175.184 174.700 -0.053 0.000 0.993 73 T CA 0.357 62.442 62.100 -0.024 0.000 0.966 73 T CB 0.873 69.694 68.868 -0.078 0.000 1.047 73 T HN 1.650 nan 8.240 nan 0.000 0.527 74 A N 0.575 123.273 122.820 -0.203 0.000 2.406 74 A HA 0.555 4.876 4.320 0.001 0.000 0.243 74 A C 1.571 179.051 177.584 -0.175 0.000 1.082 74 A CA 0.335 52.225 52.037 -0.244 0.000 0.786 74 A CB -1.060 17.613 19.000 -0.546 0.000 1.029 74 A HN 1.758 nan 8.150 nan 0.000 0.495 75 G N 1.125 109.871 108.800 -0.090 0.000 2.793 75 G HA2 -0.271 3.690 3.960 0.001 0.000 0.334 75 G HA3 -0.271 3.690 3.960 0.001 0.000 0.334 75 G C 1.626 176.557 174.900 0.051 0.000 1.186 75 G CA 1.476 46.562 45.100 -0.024 0.000 0.960 75 G HN 2.024 nan 8.290 nan 0.000 0.562 76 G N 0.744 109.541 108.800 -0.004 0.000 2.448 76 G HA2 0.208 4.168 3.960 0.001 0.000 0.219 76 G HA3 0.208 4.168 3.960 0.001 0.000 0.219 76 G C 1.802 176.711 174.900 0.015 0.000 1.127 76 G CA 1.931 47.034 45.100 0.005 0.000 0.766 76 G HN 1.646 nan 8.290 nan 0.000 0.552 77 G N 0.532 109.342 108.800 0.017 0.000 2.402 77 G HA2 -0.152 3.808 3.960 0.001 0.000 0.216 77 G HA3 -0.152 3.808 3.960 0.001 0.000 0.216 77 G C 1.569 176.509 174.900 0.066 0.000 1.162 77 G CA 0.914 46.036 45.100 0.038 0.000 0.777 77 G HN 0.406 nan 8.290 nan 0.000 0.539 78 F N 2.813 122.740 119.950 -0.039 0.000 2.113 78 F HA -0.124 4.403 4.527 0.001 0.000 0.297 78 F C 2.954 178.719 175.800 -0.058 0.000 1.103 78 F CA 2.452 60.424 58.000 -0.046 0.000 1.248 78 F CB -0.710 38.254 39.000 -0.061 0.000 0.999 78 F HN 0.191 nan 8.300 nan 0.000 0.475 79 T N -1.591 112.832 114.554 -0.217 0.000 2.915 79 T HA -0.154 4.197 4.350 0.001 0.000 0.269 79 T C 1.685 176.224 174.700 -0.268 0.000 1.071 79 T CA 1.362 63.268 62.100 -0.324 0.000 1.132 79 T CB -0.693 68.156 68.868 -0.031 0.000 0.878 79 T HN 0.274 nan 8.240 nan 0.000 0.479 80 N N 1.961 120.576 118.700 -0.142 0.000 2.396 80 N HA 0.165 4.905 4.740 0.001 0.000 0.180 80 N C 1.767 177.193 175.510 -0.140 0.000 1.028 80 N CA 1.054 54.078 53.050 -0.042 0.000 0.893 80 N CB -0.360 38.186 38.487 0.099 0.000 0.967 80 N HN 0.664 nan 8.380 nan 0.000 0.440 81 A N -0.106 122.560 122.820 -0.257 0.000 2.275 81 A HA 0.152 4.473 4.320 0.001 0.000 0.212 81 A C 2.140 179.449 177.584 -0.458 0.000 1.201 81 A CA -0.029 51.831 52.037 -0.295 0.000 0.843 81 A CB -0.061 18.826 19.000 -0.189 0.000 0.873 81 A HN 0.020 nan 8.150 nan 0.000 0.492 82 V N -0.025 119.596 119.914 -0.487 0.000 2.343 82 V HA -0.237 3.884 4.120 0.001 0.000 0.247 82 V C 2.783 178.703 176.094 -0.291 0.000 1.051 82 V CA 2.715 64.738 62.300 -0.462 0.000 1.036 82 V CB -0.883 30.696 31.823 -0.407 0.000 0.654 82 V HN 0.630 nan 8.190 nan 0.000 0.451 83 T N 0.074 114.508 114.554 -0.200 0.000 2.674 83 T HA -0.115 4.235 4.350 0.001 0.000 0.265 83 T C -0.064 174.599 174.700 -0.062 0.000 1.039 83 T CA 1.868 63.917 62.100 -0.085 0.000 1.150 83 T CB -1.378 67.490 68.868 -0.001 0.000 0.864 83 T HN 0.426 nan 8.240 nan 0.000 0.427 84 P HA -0.081 nan 4.420 nan 0.000 0.215 84 P C 1.534 178.818 177.300 -0.027 0.000 1.163 84 P CA 1.109 64.074 63.100 -0.225 0.000 0.894 84 P CB -0.248 31.256 31.700 -0.327 0.000 0.791 85 I N -0.798 119.570 120.570 -0.337 0.000 2.127 85 I HA -0.304 3.867 4.170 0.001 0.000 0.241 85 I C 2.397 178.479 176.117 -0.059 0.000 1.075 85 I CA 1.787 62.821 61.300 -0.443 0.000 1.334 85 I CB -0.954 36.607 38.000 -0.732 0.000 1.040 85 I HN -0.080 nan 8.210 nan 0.000 0.405 86 A N 0.711 123.498 122.820 -0.055 0.000 1.883 86 A HA -0.285 4.036 4.320 0.001 0.000 0.217 86 A C 2.081 179.770 177.584 0.175 0.000 1.186 86 A CA 2.438 54.519 52.037 0.074 0.000 0.624 86 A CB -0.913 18.100 19.000 0.021 0.000 0.822 86 A HN 0.467 nan 8.150 nan 0.000 0.444 87 N N 0.193 118.973 118.700 0.132 0.000 2.069 87 N HA -0.114 4.627 4.740 0.001 0.000 0.191 87 N C 1.756 177.353 175.510 0.146 0.000 1.031 87 N CA 1.993 55.126 53.050 0.138 0.000 0.852 87 N CB -0.419 38.168 38.487 0.167 0.000 1.018 87 N HN 0.382 nan 8.380 nan 0.000 0.423 88 A N 0.261 123.197 122.820 0.193 0.000 1.933 88 A HA -0.172 4.149 4.320 0.001 0.000 0.218 88 A C 2.161 179.878 177.584 0.222 0.000 1.175 88 A CA 1.321 53.483 52.037 0.210 0.000 0.628 88 A CB -1.290 17.905 19.000 0.325 0.000 0.814 88 A HN 0.714 nan 8.150 nan 0.000 0.444 89 W N 0.527 121.870 121.300 0.071 0.000 2.354 89 W HA -0.163 4.498 4.660 0.001 0.000 0.315 89 W C 1.541 178.097 176.519 0.063 0.000 1.206 89 W CA 1.694 59.079 57.345 0.067 0.000 1.290 89 W CB -0.295 29.196 29.460 0.051 0.000 1.152 89 W HN 0.300 nan 8.180 nan 0.000 0.489 90 L N 0.513 121.756 121.223 0.034 0.000 2.156 90 L HA -0.159 4.181 4.340 0.001 0.000 0.208 90 L C 1.744 178.518 176.870 -0.160 0.000 1.095 90 L CA 1.175 55.973 54.840 -0.070 0.000 0.770 90 L CB -0.812 41.322 42.059 0.125 0.000 0.914 90 L HN -0.199 nan 8.230 nan 0.000 0.439 91 D N 0.265 120.600 120.400 -0.108 0.000 2.355 91 D HA -0.018 4.623 4.640 0.001 0.000 0.218 91 D C 0.423 176.644 176.300 -0.132 0.000 1.004 91 D CA 0.179 54.091 54.000 -0.146 0.000 0.880 91 D CB 0.062 40.815 40.800 -0.079 0.000 0.911 91 D HN 0.053 nan 8.370 nan 0.000 0.528 92 R N -0.109 120.315 120.500 -0.126 0.000 3.336 92 R HA -0.148 4.193 4.340 0.001 0.000 0.260 92 R C -0.235 176.038 176.300 -0.045 0.000 1.032 92 R CA 0.795 56.830 56.100 -0.109 0.000 0.693 92 R CB -2.532 27.689 30.300 -0.131 0.000 1.134 92 R HN 0.174 nan 8.270 nan 0.000 0.433 93 T N -0.052 114.503 114.554 0.002 0.000 2.797 93 T HA 0.553 4.904 4.350 0.001 0.000 0.279 93 T C -2.614 172.120 174.700 0.057 0.000 0.991 93 T CA -2.341 59.769 62.100 0.017 0.000 0.979 93 T CB 1.535 70.409 68.868 0.010 0.000 0.943 93 T HN -0.080 nan 8.240 nan 0.000 0.444 94 P HA 0.398 nan 4.420 nan 0.000 0.279 94 P C -1.146 176.178 177.300 0.039 0.000 1.318 94 P CA -0.309 62.823 63.100 0.053 0.000 0.819 94 P CB 0.607 32.324 31.700 0.029 0.000 0.927 95 V N 5.157 125.102 119.914 0.051 0.000 2.686 95 V HA 0.264 4.385 4.120 0.001 0.000 0.306 95 V C -0.155 175.889 176.094 -0.083 0.000 1.065 95 V CA -0.775 61.469 62.300 -0.093 0.000 0.894 95 V CB 2.833 34.489 31.823 -0.278 0.000 1.004 95 V HN 0.421 nan 8.190 nan 0.000 0.424 96 L N 5.378 126.526 121.223 -0.125 0.000 2.259 96 L HA 0.547 4.888 4.340 0.001 0.000 0.288 96 L C -1.258 175.540 176.870 -0.121 0.000 1.051 96 L CA -0.024 54.805 54.840 -0.018 0.000 0.824 96 L CB 0.499 42.581 42.059 0.037 0.000 1.206 96 L HN 0.572 nan 8.230 nan 0.000 0.429 97 F N 5.827 125.830 119.950 0.088 0.000 2.368 97 F HA 0.321 4.849 4.527 0.001 0.000 0.362 97 F C 0.355 176.200 175.800 0.075 0.000 1.137 97 F CA -0.343 57.703 58.000 0.076 0.000 1.161 97 F CB 0.718 39.763 39.000 0.076 0.000 1.265 97 F HN 0.287 nan 8.300 nan 0.000 0.530 98 L N 3.254 124.586 121.223 0.183 0.000 2.290 98 L HA 0.432 4.773 4.340 0.001 0.000 0.284 98 L C 0.400 177.360 176.870 0.150 0.000 1.078 98 L CA -0.155 54.766 54.840 0.134 0.000 0.815 98 L CB 1.333 43.436 42.059 0.074 0.000 1.162 98 L HN 0.483 nan 8.230 nan 0.000 0.435 99 T N 2.278 116.911 114.554 0.131 0.000 2.861 99 T HA 0.616 4.967 4.350 0.001 0.000 0.287 99 T C 0.088 174.830 174.700 0.070 0.000 1.003 99 T CA -0.447 61.727 62.100 0.123 0.000 0.977 99 T CB 1.388 70.364 68.868 0.181 0.000 0.996 99 T HN 0.686 nan 8.240 nan 0.000 0.448 100 G N 2.215 111.054 108.800 0.066 0.000 2.539 100 G HA2 0.564 4.524 3.960 0.001 0.000 0.258 100 G HA3 0.564 4.524 3.960 0.001 0.000 0.258 100 G C -0.205 174.716 174.900 0.035 0.000 1.202 100 G CA -0.036 45.109 45.100 0.073 0.000 0.851 100 G HN 1.110 nan 8.290 nan 0.000 0.556 101 S N -0.985 114.773 115.700 0.095 0.000 2.705 101 S HA 0.723 5.194 4.470 0.001 0.000 0.280 101 S C 0.185 174.914 174.600 0.215 0.000 1.174 101 S CA -0.212 58.022 58.200 0.056 0.000 0.823 101 S CB 0.980 64.165 63.200 -0.026 0.000 1.162 101 S HN 1.436 nan 8.310 nan 0.000 0.487 102 G N 0.540 109.431 108.800 0.152 0.000 2.265 102 G HA2 0.469 4.429 3.960 0.001 0.000 0.240 102 G HA3 0.469 4.429 3.960 0.001 0.000 0.240 102 G C 0.498 175.520 174.900 0.203 0.000 1.270 102 G CA -0.030 45.207 45.100 0.228 0.000 0.901 102 G HN 1.322 nan 8.290 nan 0.000 0.507 103 A N 2.478 125.447 122.820 0.249 0.000 2.531 103 A HA 0.228 4.549 4.320 0.001 0.000 0.236 103 A C 1.635 179.240 177.584 0.036 0.000 1.062 103 A CA -0.270 51.826 52.037 0.098 0.000 0.760 103 A CB 0.219 19.192 19.000 -0.043 0.000 0.995 103 A HN 0.774 nan 8.150 nan 0.000 0.501 104 L N 1.521 122.745 121.223 0.002 0.000 2.083 104 L HA -0.100 4.241 4.340 0.001 0.000 0.209 104 L C 1.888 178.744 176.870 -0.022 0.000 1.083 104 L CA 1.349 56.182 54.840 -0.012 0.000 0.752 104 L CB -0.490 41.558 42.059 -0.020 0.000 0.899 104 L HN 0.882 nan 8.230 nan 0.000 0.433 105 R N 1.794 122.268 120.500 -0.044 0.000 2.537 105 R HA -0.019 4.322 4.340 0.001 0.000 0.280 105 R C -0.247 176.030 176.300 -0.038 0.000 1.058 105 R CA 0.447 56.515 56.100 -0.054 0.000 1.057 105 R CB 0.050 30.296 30.300 -0.090 0.000 0.973 105 R HN 0.433 nan 8.270 nan 0.000 0.438 106 D N 0.250 120.636 120.400 -0.023 0.000 2.697 106 D HA -0.263 4.378 4.640 0.001 0.000 0.238 106 D C -1.199 175.114 176.300 0.021 0.000 1.152 106 D CA 1.214 55.216 54.000 0.003 0.000 0.666 106 D CB -1.214 39.594 40.800 0.013 0.000 1.037 106 D HN 0.784 nan 8.370 nan 0.000 0.423 107 D N 0.048 120.453 120.400 0.008 0.000 2.198 107 D HA 0.444 5.085 4.640 0.001 0.000 0.245 107 D C 0.159 176.461 176.300 0.005 0.000 1.079 107 D CA -0.479 53.526 54.000 0.009 0.000 0.854 107 D CB 1.096 41.894 40.800 -0.002 0.000 1.148 107 D HN 0.276 nan 8.370 nan 0.000 0.456 108 E N 1.863 122.067 120.200 0.006 0.000 2.257 108 E HA -0.179 4.172 4.350 0.001 0.000 0.217 108 E C -0.565 176.039 176.600 0.007 0.000 1.248 108 E CA 1.287 57.688 56.400 0.003 0.000 0.691 108 E CB -1.637 28.061 29.700 -0.003 0.000 1.185 108 E HN 0.567 nan 8.360 nan 0.000 0.377 109 T N -1.941 112.622 114.554 0.014 0.000 3.403 109 T HA 0.200 4.550 4.350 0.001 0.000 0.308 109 T C 0.179 174.892 174.700 0.021 0.000 0.952 109 T CA -0.023 62.087 62.100 0.016 0.000 0.970 109 T CB 0.039 68.918 68.868 0.019 0.000 1.189 109 T HN 0.218 nan 8.240 nan 0.000 0.528 110 N N 2.108 120.820 118.700 0.020 0.000 2.714 110 N HA -0.129 4.612 4.740 0.001 0.000 0.253 110 N C -0.218 175.312 175.510 0.033 0.000 1.024 110 N CA 1.402 54.464 53.050 0.021 0.000 0.726 110 N CB -1.746 36.751 38.487 0.016 0.000 0.908 110 N HN 0.701 nan 8.380 nan 0.000 0.542 111 T N -0.115 114.467 114.554 0.047 0.000 2.824 111 T HA 0.393 4.743 4.350 0.001 0.000 0.277 111 T C 1.012 175.759 174.700 0.080 0.000 0.975 111 T CA -0.922 61.223 62.100 0.074 0.000 0.966 111 T CB 1.478 70.409 68.868 0.105 0.000 1.054 111 T HN 0.230 nan 8.240 nan 0.000 0.533 112 L N 2.088 123.379 121.223 0.113 0.000 2.565 112 L HA 0.127 4.468 4.340 0.001 0.000 0.275 112 L C 0.806 177.729 176.870 0.089 0.000 1.137 112 L CA 0.781 55.682 54.840 0.103 0.000 0.915 112 L CB -1.072 41.071 42.059 0.140 0.000 1.232 112 L HN 0.795 nan 8.230 nan 0.000 0.473 113 Q N 1.652 121.451 119.800 -0.002 0.000 2.305 113 Q HA -0.259 4.082 4.340 0.001 0.000 0.203 113 Q C 0.296 176.268 176.000 -0.047 0.000 0.663 113 Q CA 1.136 56.887 55.803 -0.087 0.000 1.389 113 Q CB -1.830 26.729 28.738 -0.298 0.000 1.566 113 Q HN 0.876 nan 8.270 nan 0.000 0.755 114 A N -0.472 122.367 122.820 0.032 0.000 2.252 114 A HA 0.725 5.046 4.320 0.001 0.000 0.305 114 A C 1.377 178.966 177.584 0.008 0.000 1.097 114 A CA 0.595 52.653 52.037 0.036 0.000 0.849 114 A CB 0.787 19.837 19.000 0.083 0.000 1.142 114 A HN 0.900 nan 8.150 nan 0.000 0.499 115 G N -1.364 107.433 108.800 -0.006 0.000 2.179 115 G HA2 -0.133 3.828 3.960 0.001 0.000 0.220 115 G HA3 -0.133 3.828 3.960 0.001 0.000 0.220 115 G C 0.106 174.990 174.900 -0.026 0.000 0.990 115 G CA 0.259 45.352 45.100 -0.012 0.000 0.646 115 G HN 1.861 nan 8.290 nan 0.000 0.517 116 I N -2.061 118.484 120.570 -0.042 0.000 2.493 116 I HA 0.746 4.916 4.170 0.001 0.000 0.298 116 I C -0.894 175.159 176.117 -0.107 0.000 0.998 116 I CA -1.208 60.060 61.300 -0.053 0.000 1.137 116 I CB 2.034 40.019 38.000 -0.025 0.000 1.310 116 I HN -0.127 nan 8.210 nan 0.000 0.445 117 D N 4.750 125.087 120.400 -0.105 0.000 2.517 117 D HA 0.147 4.788 4.640 0.001 0.000 0.220 117 D C 0.774 176.931 176.300 -0.237 0.000 1.158 117 D CA 0.129 54.039 54.000 -0.150 0.000 0.992 117 D CB 0.923 41.662 40.800 -0.101 0.000 1.058 117 D HN 0.681 nan 8.370 nan 0.000 0.516 118 Q N 0.931 120.467 119.800 -0.440 0.000 2.119 118 Q HA -0.090 4.250 4.340 0.001 0.000 0.201 118 Q C 2.008 177.622 176.000 -0.643 0.000 0.972 118 Q CA 0.954 56.177 55.803 -0.967 0.000 0.847 118 Q CB 0.349 28.186 28.738 -1.502 0.000 0.903 118 Q HN 0.344 nan 8.270 nan 0.000 0.433 119 V N 1.048 120.724 119.914 -0.397 0.000 2.295 119 V HA -0.284 3.837 4.120 0.001 0.000 0.246 119 V C 2.305 178.302 176.094 -0.161 0.000 1.049 119 V CA 1.843 63.990 62.300 -0.255 0.000 1.024 119 V CB -1.093 30.586 31.823 -0.239 0.000 0.648 119 V HN 0.410 nan 8.190 nan 0.000 0.447 120 A N -0.721 122.015 122.820 -0.140 0.000 1.940 120 A HA -0.247 4.073 4.320 0.001 0.000 0.219 120 A C 2.255 179.805 177.584 -0.056 0.000 1.176 120 A CA 2.281 54.267 52.037 -0.086 0.000 0.631 120 A CB -0.518 18.439 19.000 -0.072 0.000 0.814 120 A HN 0.505 nan 8.150 nan 0.000 0.446 121 M N -1.144 118.437 119.600 -0.032 0.000 2.254 121 M HA -0.080 4.401 4.480 0.001 0.000 0.265 121 M C 2.280 178.623 176.300 0.071 0.000 1.066 121 M CA 1.288 56.626 55.300 0.064 0.000 1.123 121 M CB -0.164 32.570 32.600 0.224 0.000 1.388 121 M HN 0.504 nan 8.290 nan 0.000 0.425 122 A N -0.475 122.386 122.820 0.069 0.000 2.095 122 A HA 0.304 4.625 4.320 0.001 0.000 0.212 122 A C 2.227 179.739 177.584 -0.120 0.000 1.162 122 A CA 0.902 52.946 52.037 0.012 0.000 0.753 122 A CB -0.465 18.592 19.000 0.095 0.000 0.840 122 A HN 0.414 nan 8.150 nan 0.000 0.468 123 A N 1.171 123.925 122.820 -0.111 0.000 1.948 123 A HA -0.070 4.250 4.320 0.001 0.000 0.220 123 A C 0.079 177.537 177.584 -0.210 0.000 1.177 123 A CA 1.946 53.905 52.037 -0.131 0.000 0.636 123 A CB -1.582 17.369 19.000 -0.081 0.000 0.815 123 A HN 0.468 nan 8.150 nan 0.000 0.449 124 P HA 0.015 nan 4.420 nan 0.000 0.233 124 P C 0.742 177.699 177.300 -0.571 0.000 1.167 124 P CA 0.777 63.715 63.100 -0.271 0.000 0.770 124 P CB -0.084 31.520 31.700 -0.161 0.000 0.837 125 I N -4.707 115.457 120.570 -0.677 0.000 3.817 125 I HA 0.346 4.517 4.170 0.001 0.000 0.325 125 I C -0.579 174.971 176.117 -0.945 0.000 1.550 125 I CA -0.518 60.129 61.300 -1.089 0.000 1.100 125 I CB 0.234 37.937 38.000 -0.495 0.000 1.216 125 I HN -0.253 nan 8.210 nan 0.000 0.481 126 T N -3.317 110.760 114.554 -0.795 0.000 2.903 126 T HA 0.441 4.792 4.350 0.001 0.000 0.299 126 T C 0.366 175.037 174.700 -0.049 0.000 1.093 126 T CA -0.804 61.162 62.100 -0.224 0.000 1.002 126 T CB 2.708 71.563 68.868 -0.021 0.000 1.127 126 T HN 0.066 nan 8.240 nan 0.000 0.488 127 K N -0.339 120.298 120.400 0.394 0.000 2.148 127 K HA 0.039 4.360 4.320 0.001 0.000 0.204 127 K C -0.239 176.595 176.600 0.389 0.000 1.050 127 K CA 1.074 57.627 56.287 0.443 0.000 0.942 127 K CB 0.114 32.853 32.500 0.399 0.000 0.724 127 K HN 0.616 nan 8.250 nan 0.000 0.446 128 W N -0.554 120.810 121.300 0.108 0.000 3.425 128 W HA 0.464 5.125 4.660 0.000 0.000 0.318 128 W C -2.022 174.544 176.519 0.078 0.000 1.201 128 W CA -1.086 56.305 57.345 0.077 0.000 1.212 128 W CB 1.475 30.980 29.460 0.075 0.000 1.355 128 W HN -0.165 nan 8.180 nan 0.000 0.515 129 A N 4.194 126.862 122.820 -0.254 0.000 2.375 129 A HA 0.708 5.029 4.320 0.001 0.000 0.295 129 A C -2.081 175.200 177.584 -0.504 0.000 1.066 129 A CA -0.370 51.477 52.037 -0.316 0.000 0.722 129 A CB 1.361 20.268 19.000 -0.156 0.000 1.206 129 A HN 0.762 nan 8.150 nan 0.000 0.435 130 H N 0.416 119.082 119.070 -0.673 0.000 3.046 130 H HA 0.651 5.208 4.556 0.001 0.000 0.363 130 H C -0.912 174.194 175.328 -0.370 0.000 1.203 130 H CA -0.407 55.258 56.048 -0.638 0.000 1.169 130 H CB 1.418 30.483 29.762 -1.161 0.000 1.851 130 H HN 0.725 nan 8.280 nan 0.000 0.546 131 R N 3.700 123.715 120.500 -0.808 0.000 2.393 131 R HA 0.483 4.824 4.340 0.001 0.000 0.315 131 R C -1.186 174.893 176.300 -0.368 0.000 0.952 131 R CA -0.835 54.995 56.100 -0.449 0.000 0.842 131 R CB 0.987 31.078 30.300 -0.349 0.000 1.163 131 R HN 0.397 nan 8.270 nan 0.000 0.450 132 V N 6.538 126.393 119.914 -0.098 0.000 2.479 132 V HA 0.005 4.125 4.120 0.001 0.000 0.281 132 V C 1.322 177.446 176.094 0.049 0.000 1.031 132 V CA 0.116 62.451 62.300 0.057 0.000 1.038 132 V CB 1.181 33.067 31.823 0.104 0.000 0.981 132 V HN 0.876 nan 8.190 nan 0.000 0.478 133 M N 3.050 122.727 119.600 0.129 0.000 2.466 133 M HA 0.295 4.776 4.480 0.001 0.000 0.265 133 M C 0.733 177.067 176.300 0.056 0.000 1.122 133 M CA 0.740 56.093 55.300 0.089 0.000 1.157 133 M CB 0.081 32.751 32.600 0.117 0.000 1.352 133 M HN 0.723 nan 8.290 nan 0.000 0.464 134 A N -0.258 122.590 122.820 0.047 0.000 2.401 134 A HA 0.561 4.881 4.320 0.001 0.000 0.310 134 A C 0.863 178.367 177.584 -0.134 0.000 1.075 134 A CA -0.469 51.466 52.037 -0.171 0.000 0.746 134 A CB 0.848 19.535 19.000 -0.521 0.000 1.277 134 A HN 0.209 nan 8.150 nan 0.000 0.425 135 T N 0.780 115.271 114.554 -0.106 0.000 2.867 135 T HA -0.093 4.257 4.350 0.001 0.000 0.268 135 T C 1.280 175.957 174.700 -0.040 0.000 1.057 135 T CA 2.296 64.370 62.100 -0.044 0.000 1.136 135 T CB -0.169 68.679 68.868 -0.035 0.000 0.874 135 T HN 0.780 nan 8.240 nan 0.000 0.466 136 E N 0.452 120.585 120.200 -0.111 0.000 2.338 136 E HA -0.067 4.284 4.350 0.001 0.000 0.197 136 E C 1.607 178.236 176.600 0.048 0.000 1.007 136 E CA 0.770 57.136 56.400 -0.057 0.000 0.849 136 E CB -0.298 29.349 29.700 -0.088 0.000 0.774 136 E HN 0.699 nan 8.360 nan 0.000 0.506 137 H N -0.555 118.545 119.070 0.049 0.000 2.535 137 H HA 0.122 4.679 4.556 0.001 0.000 0.273 137 H C 1.680 177.053 175.328 0.074 0.000 0.983 137 H CA -0.007 56.080 56.048 0.066 0.000 1.238 137 H CB 0.146 29.959 29.762 0.084 0.000 1.412 137 H HN 0.100 nan 8.280 nan 0.000 0.562 138 I N 1.277 121.948 120.570 0.169 0.000 2.113 138 I HA -0.262 3.909 4.170 0.001 0.000 0.242 138 I C -0.653 175.530 176.117 0.111 0.000 1.064 138 I CA 1.465 62.840 61.300 0.124 0.000 1.320 138 I CB -0.937 37.112 38.000 0.082 0.000 1.028 138 I HN 0.264 nan 8.210 nan 0.000 0.406 139 P HA -0.166 nan 4.420 nan 0.000 0.214 139 P C 1.256 178.602 177.300 0.078 0.000 1.162 139 P CA 1.467 64.610 63.100 0.072 0.000 0.874 139 P CB -0.241 31.492 31.700 0.055 0.000 0.784 140 R N -0.756 119.796 120.500 0.086 0.000 2.193 140 R HA -0.033 4.308 4.340 0.001 0.000 0.229 140 R C 1.531 177.881 176.300 0.084 0.000 1.110 140 R CA 1.222 57.363 56.100 0.068 0.000 0.988 140 R CB -1.224 29.109 30.300 0.054 0.000 0.871 140 R HN 0.131 nan 8.270 nan 0.000 0.458 141 L N 0.423 121.726 121.223 0.134 0.000 2.253 141 L HA 0.071 4.412 4.340 0.001 0.000 0.205 141 L C 2.265 179.276 176.870 0.236 0.000 1.078 141 L CA 0.678 55.647 54.840 0.215 0.000 0.805 141 L CB -0.059 42.145 42.059 0.242 0.000 0.963 141 L HN -0.029 nan 8.230 nan 0.000 0.459 142 V N -0.792 119.219 119.914 0.162 0.000 2.261 142 V HA -0.331 3.789 4.120 0.001 0.000 0.246 142 V C 2.519 178.685 176.094 0.120 0.000 1.047 142 V CA 1.861 64.242 62.300 0.137 0.000 1.015 142 V CB -0.416 31.461 31.823 0.090 0.000 0.642 142 V HN 0.377 nan 8.190 nan 0.000 0.446 143 M N -0.474 119.178 119.600 0.085 0.000 2.159 143 M HA -0.203 4.278 4.480 0.001 0.000 0.263 143 M C 2.146 178.475 176.300 0.049 0.000 1.063 143 M CA 1.762 57.095 55.300 0.055 0.000 1.110 143 M CB -0.607 32.013 32.600 0.034 0.000 1.374 143 M HN 0.352 nan 8.290 nan 0.000 0.411 144 Q N -1.027 118.808 119.800 0.058 0.000 2.084 144 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 144 Q C 1.942 177.964 176.000 0.038 0.000 0.978 144 Q CA 1.750 57.547 55.803 -0.010 0.000 0.844 144 Q CB -0.175 28.532 28.738 -0.051 0.000 0.898 144 Q HN 0.614 nan 8.270 nan 0.000 0.426 145 A N 0.896 123.865 122.820 0.248 0.000 1.902 145 A HA -0.175 4.146 4.320 0.001 0.000 0.217 145 A C 1.938 179.639 177.584 0.195 0.000 1.181 145 A CA 1.220 53.472 52.037 0.358 0.000 0.623 145 A CB -0.594 18.637 19.000 0.383 0.000 0.818 145 A HN 0.433 nan 8.150 nan 0.000 0.443 146 I N -0.232 120.414 120.570 0.127 0.000 2.179 146 I HA -0.240 3.931 4.170 0.001 0.000 0.242 146 I C 2.566 178.715 176.117 0.054 0.000 1.088 146 I CA 1.558 62.908 61.300 0.083 0.000 1.357 146 I CB -1.360 36.674 38.000 0.058 0.000 1.051 146 I HN 0.380 nan 8.210 nan 0.000 0.409 147 R N 0.803 121.318 120.500 0.026 0.000 2.117 147 R HA -0.162 4.178 4.340 0.001 0.000 0.243 147 R C 2.372 178.669 176.300 -0.006 0.000 1.143 147 R CA 1.657 57.753 56.100 -0.007 0.000 0.968 147 R CB -0.422 29.854 30.300 -0.040 0.000 0.863 147 R HN 0.408 nan 8.270 nan 0.000 0.444 148 A N 1.192 124.013 122.820 0.002 0.000 1.873 148 A HA -0.027 4.294 4.320 0.001 0.000 0.215 148 A C 2.371 180.004 177.584 0.083 0.000 1.186 148 A CA 1.437 53.486 52.037 0.021 0.000 0.616 148 A CB -0.544 18.476 19.000 0.032 0.000 0.823 148 A HN 0.375 nan 8.150 nan 0.000 0.442 149 A N -0.712 122.176 122.820 0.114 0.000 2.019 149 A HA 0.055 4.375 4.320 0.001 0.000 0.219 149 A C 2.066 179.694 177.584 0.073 0.000 1.164 149 A CA 1.416 53.526 52.037 0.121 0.000 0.644 149 A CB -0.406 18.672 19.000 0.129 0.000 0.805 149 A HN 0.465 nan 8.150 nan 0.000 0.449 150 L N -0.095 121.156 121.223 0.046 0.000 2.354 150 L HA 0.049 4.390 4.340 0.001 0.000 0.212 150 L C 1.111 177.985 176.870 0.006 0.000 1.091 150 L CA 0.305 55.157 54.840 0.020 0.000 0.828 150 L CB -0.104 41.961 42.059 0.009 0.000 0.973 150 L HN 0.391 nan 8.230 nan 0.000 0.461 151 S N 0.415 116.119 115.700 0.007 0.000 2.603 151 S HA 0.551 5.022 4.470 0.001 0.000 0.268 151 S C 0.171 174.770 174.600 -0.001 0.000 1.317 151 S CA -0.775 57.423 58.200 -0.003 0.000 1.012 151 S CB 1.508 64.703 63.200 -0.010 0.000 0.926 151 S HN 0.140 nan 8.310 nan 0.000 0.539 152 A N 2.476 125.291 122.820 -0.009 0.000 2.401 152 A HA 0.564 4.885 4.320 0.001 0.000 0.259 152 A C -2.026 175.551 177.584 -0.012 0.000 1.103 152 A CA -1.474 50.554 52.037 -0.015 0.000 0.789 152 A CB -0.646 18.343 19.000 -0.018 0.000 1.035 152 A HN 0.712 nan 8.150 nan 0.000 0.491 153 P HA 0.326 nan 4.420 nan 0.000 0.279 153 P C -0.473 176.810 177.300 -0.029 0.000 1.239 153 P CA -0.411 62.664 63.100 -0.040 0.000 0.789 153 P CB 0.690 32.346 31.700 -0.073 0.000 0.933 154 R N 0.981 121.465 120.500 -0.026 0.000 2.784 154 R HA 0.589 4.930 4.340 0.001 0.000 0.266 154 R C 0.994 177.299 176.300 0.009 0.000 1.044 154 R CA 1.058 57.159 56.100 0.000 0.000 1.151 154 R CB -0.184 30.113 30.300 -0.006 0.000 1.037 154 R HN 0.865 nan 8.270 nan 0.000 0.478 155 G N 1.301 110.148 108.800 0.078 0.000 2.368 155 G HA2 0.309 4.269 3.960 0.001 0.000 0.293 155 G HA3 0.309 4.269 3.960 0.001 0.000 0.293 155 G C -3.074 171.978 174.900 0.254 0.000 1.467 155 G CA -1.051 44.143 45.100 0.157 0.000 0.804 155 G HN 0.422 nan 8.290 nan 0.000 0.535 156 P HA 0.566 nan 4.420 nan 0.000 0.277 156 P C -0.708 176.827 177.300 0.392 0.000 1.240 156 P CA -0.427 62.925 63.100 0.420 0.000 0.798 156 P CB 2.011 34.030 31.700 0.532 0.000 0.979 157 V N 2.935 123.090 119.914 0.402 0.000 2.686 157 V HA 0.291 4.412 4.120 0.001 0.000 0.306 157 V C -0.191 176.094 176.094 0.319 0.000 1.065 157 V CA -0.741 61.761 62.300 0.337 0.000 0.894 157 V CB 2.022 34.051 31.823 0.343 0.000 1.004 157 V HN 0.406 nan 8.190 nan 0.000 0.424 158 L N 5.302 126.636 121.223 0.185 0.000 2.272 158 L HA 0.596 4.936 4.340 0.001 0.000 0.289 158 L C -0.835 176.039 176.870 0.006 0.000 1.032 158 L CA 0.006 54.926 54.840 0.133 0.000 0.810 158 L CB 1.069 43.174 42.059 0.077 0.000 1.205 158 L HN 0.602 nan 8.230 nan 0.000 0.422 159 L N 5.195 126.448 121.223 0.050 0.000 2.316 159 L HA 0.387 4.728 4.340 0.001 0.000 0.280 159 L C -0.910 175.954 176.870 -0.010 0.000 1.006 159 L CA -0.426 54.406 54.840 -0.014 0.000 0.836 159 L CB 1.396 43.486 42.059 0.052 0.000 1.221 159 L HN 0.636 nan 8.230 nan 0.000 0.418 160 D N 6.100 126.450 120.400 -0.083 0.000 2.339 160 D HA 0.245 4.886 4.640 0.001 0.000 0.241 160 D C -0.712 175.563 176.300 -0.041 0.000 1.183 160 D CA -0.229 53.720 54.000 -0.086 0.000 0.859 160 D CB 0.968 41.661 40.800 -0.178 0.000 1.067 160 D HN 0.393 nan 8.370 nan 0.000 0.484 161 L N 6.227 127.457 121.223 0.013 0.000 2.283 161 L HA 0.336 4.677 4.340 0.001 0.000 0.281 161 L C -2.209 174.711 176.870 0.084 0.000 1.033 161 L CA -1.930 52.940 54.840 0.050 0.000 0.848 161 L CB 1.509 43.612 42.059 0.073 0.000 1.226 161 L HN 0.132 nan 8.230 nan 0.000 0.429 162 P HA -0.104 nan 4.420 nan 0.000 0.262 162 P C 0.247 177.664 177.300 0.195 0.000 1.199 162 P CA -0.123 63.047 63.100 0.117 0.000 0.763 162 P CB 0.481 32.214 31.700 0.055 0.000 0.790 163 W N 5.426 126.753 121.300 0.046 0.000 2.292 163 W HA -0.284 4.376 4.660 0.001 0.000 0.304 163 W C 1.485 177.993 176.519 -0.018 0.000 1.228 163 W CA 2.092 59.446 57.345 0.014 0.000 1.241 163 W CB -1.012 28.427 29.460 -0.034 0.000 1.142 163 W HN 0.399 nan 8.180 nan 0.000 0.520 164 D N 0.131 120.511 120.400 -0.033 0.000 2.137 164 D HA -0.250 4.390 4.640 0.001 0.000 0.189 164 D C 2.113 178.367 176.300 -0.077 0.000 0.998 164 D CA 2.584 56.494 54.000 -0.150 0.000 0.839 164 D CB -0.610 40.140 40.800 -0.083 0.000 0.962 164 D HN 0.164 nan 8.370 nan 0.000 0.446 165 I N 0.272 120.838 120.570 -0.006 0.000 2.361 165 I HA -0.183 3.987 4.170 0.001 0.000 0.251 165 I C 2.225 178.359 176.117 0.028 0.000 1.133 165 I CA 0.648 61.952 61.300 0.006 0.000 1.413 165 I CB -0.165 37.849 38.000 0.024 0.000 1.073 165 I HN 0.110 nan 8.210 nan 0.000 0.424 166 L N -1.281 119.985 121.223 0.071 0.000 2.395 166 L HA -0.071 4.270 4.340 0.001 0.000 0.218 166 L C 2.176 179.094 176.870 0.079 0.000 1.130 166 L CA 0.773 55.674 54.840 0.102 0.000 0.826 166 L CB -0.324 41.841 42.059 0.177 0.000 0.941 166 L HN 0.256 nan 8.230 nan 0.000 0.451 167 M N -1.246 118.364 119.600 0.018 0.000 2.545 167 M HA 0.046 4.527 4.480 0.001 0.000 0.264 167 M C 0.284 176.563 176.300 -0.035 0.000 1.155 167 M CA 0.194 55.481 55.300 -0.022 0.000 1.162 167 M CB 0.060 32.577 32.600 -0.138 0.000 1.330 167 M HN 0.179 nan 8.290 nan 0.000 0.479 168 N N 2.440 121.111 118.700 -0.049 0.000 2.411 168 N HA -0.014 4.726 4.740 0.001 0.000 0.261 168 N C -0.623 174.874 175.510 -0.021 0.000 1.248 168 N CA 0.242 53.265 53.050 -0.044 0.000 0.885 168 N CB 0.345 38.803 38.487 -0.049 0.000 1.062 168 N HN 0.267 nan 8.380 nan 0.000 0.471 169 Q N 1.904 121.693 119.800 -0.019 0.000 2.257 169 Q HA 0.480 4.821 4.340 0.001 0.000 0.255 169 Q C -0.596 175.398 176.000 -0.010 0.000 0.920 169 Q CA -0.632 55.166 55.803 -0.007 0.000 0.927 169 Q CB 1.174 29.909 28.738 -0.004 0.000 1.229 169 Q HN 0.544 nan 8.270 nan 0.000 0.433 170 I N -2.041 118.526 120.570 -0.005 0.000 2.892 170 I HA 0.414 4.585 4.170 0.001 0.000 0.306 170 I C -0.472 175.646 176.117 0.002 0.000 1.078 170 I CA -1.244 60.052 61.300 -0.006 0.000 1.032 170 I CB 1.516 39.509 38.000 -0.011 0.000 1.229 170 I HN 0.329 nan 8.210 nan 0.000 0.435 171 D N 2.680 123.081 120.400 0.001 0.000 2.531 171 D HA -0.028 4.612 4.640 0.001 0.000 0.239 171 D C 1.261 177.567 176.300 0.010 0.000 1.144 171 D CA 0.556 54.559 54.000 0.005 0.000 0.869 171 D CB 0.927 41.730 40.800 0.004 0.000 1.160 171 D HN 0.792 nan 8.370 nan 0.000 0.484 172 E N 2.204 122.412 120.200 0.014 0.000 2.204 172 E HA -0.214 4.136 4.350 0.001 0.000 0.195 172 E C 0.473 177.084 176.600 0.017 0.000 0.990 172 E CA 0.880 57.291 56.400 0.019 0.000 0.821 172 E CB 0.025 29.739 29.700 0.023 0.000 0.750 172 E HN 0.503 nan 8.360 nan 0.000 0.477 173 D N 1.444 121.853 120.400 0.014 0.000 2.289 173 D HA -0.083 4.557 4.640 0.001 0.000 0.207 173 D C 1.994 178.301 176.300 0.013 0.000 0.966 173 D CA 1.312 55.320 54.000 0.013 0.000 0.868 173 D CB -0.039 40.768 40.800 0.011 0.000 0.943 173 D HN 0.297 nan 8.370 nan 0.000 0.514 174 S N -0.263 115.444 115.700 0.012 0.000 2.561 174 S HA 0.058 4.529 4.470 0.001 0.000 0.225 174 S C 0.657 175.266 174.600 0.014 0.000 0.977 174 S CA -0.355 57.851 58.200 0.011 0.000 0.926 174 S CB 0.162 63.367 63.200 0.007 0.000 0.769 174 S HN 0.051 nan 8.310 nan 0.000 0.533 175 V N 2.627 122.551 119.914 0.018 0.000 2.623 175 V HA 0.517 4.638 4.120 0.001 0.000 0.304 175 V C -0.549 175.559 176.094 0.025 0.000 1.054 175 V CA -1.643 60.671 62.300 0.024 0.000 0.882 175 V CB 1.722 33.561 31.823 0.028 0.000 1.002 175 V HN 0.494 nan 8.190 nan 0.000 0.424 176 I N 4.900 125.485 120.570 0.026 0.000 2.692 176 I HA 0.440 4.611 4.170 0.001 0.000 0.284 176 I C -0.379 175.752 176.117 0.024 0.000 1.159 176 I CA 0.077 61.390 61.300 0.022 0.000 1.423 176 I CB 0.602 38.614 38.000 0.020 0.000 1.380 176 I HN 0.495 nan 8.210 nan 0.000 0.580 177 I N 6.265 126.845 120.570 0.017 0.000 2.310 177 I HA 0.403 4.574 4.170 0.001 0.000 0.287 177 I C -2.061 174.062 176.117 0.011 0.000 1.073 177 I CA -1.826 59.482 61.300 0.015 0.000 1.216 177 I CB 0.051 38.054 38.000 0.006 0.000 1.415 177 I HN 0.470 nan 8.210 nan 0.000 0.480 178 P HA 0.189 nan 4.420 nan 0.000 0.272 178 P C -0.563 176.741 177.300 0.006 0.000 1.223 178 P CA -0.248 62.859 63.100 0.011 0.000 0.784 178 P CB 0.885 32.593 31.700 0.013 0.000 0.923 179 D N 0.329 120.731 120.400 0.003 0.000 2.357 179 D HA 0.175 4.816 4.640 0.001 0.000 0.242 179 D C -0.186 176.114 176.300 0.000 0.000 1.153 179 D CA -0.030 53.970 54.000 0.001 0.000 0.918 179 D CB 0.212 41.012 40.800 0.000 0.000 1.181 179 D HN 0.173 nan 8.370 nan 0.000 0.435 180 L N 2.818 124.040 121.223 -0.001 0.000 2.342 180 L HA 0.279 4.619 4.340 0.001 0.000 0.285 180 L C -1.241 175.625 176.870 -0.006 0.000 1.095 180 L CA -0.162 54.676 54.840 -0.003 0.000 0.843 180 L CB 0.433 42.490 42.059 -0.002 0.000 1.201 180 L HN 0.123 nan 8.230 nan 0.000 0.445 181 V N 7.015 126.924 119.914 -0.007 0.000 2.275 181 V HA 0.500 4.621 4.120 0.001 0.000 0.272 181 V C -0.485 175.602 176.094 -0.011 0.000 1.028 181 V CA -0.457 61.839 62.300 -0.007 0.000 0.810 181 V CB 0.898 32.718 31.823 -0.005 0.000 1.043 181 V HN 0.630 nan 8.190 nan 0.000 0.453 182 L N 3.726 124.941 121.223 -0.013 0.000 2.543 182 L HA 0.441 4.782 4.340 0.001 0.000 0.265 182 L C 1.041 177.898 176.870 -0.022 0.000 0.945 182 L CA 0.426 55.256 54.840 -0.017 0.000 0.869 182 L CB 2.287 44.333 42.059 -0.022 0.000 1.294 182 L HN 0.417 nan 8.230 nan 0.000 0.405 183 S N 3.782 119.479 115.700 -0.005 0.000 2.493 183 S HA -0.046 4.425 4.470 0.001 0.000 0.243 183 S C 1.750 176.314 174.600 -0.060 0.000 0.991 183 S CA 2.137 60.350 58.200 0.022 0.000 0.957 183 S CB -0.341 62.900 63.200 0.069 0.000 0.756 183 S HN 1.803 nan 8.310 nan 0.000 0.521 184 A N -0.450 122.305 122.820 -0.109 0.000 2.068 184 A HA -0.302 4.018 4.320 0.001 0.000 0.231 184 A C 0.403 177.853 177.584 -0.223 0.000 0.430 184 A CA 2.117 54.031 52.037 -0.205 0.000 1.105 184 A CB -2.496 16.317 19.000 -0.312 0.000 1.437 184 A HN 0.861 nan 8.150 nan 0.000 0.706 185 H N 0.614 119.676 119.070 -0.014 0.000 2.929 185 H HA 0.454 5.011 4.556 0.001 0.000 0.317 185 H C 1.057 176.374 175.328 -0.018 0.000 1.031 185 H CA 0.540 56.578 56.048 -0.017 0.000 1.466 185 H CB 0.534 30.287 29.762 -0.015 0.000 1.482 185 H HN 0.800 nan 8.280 nan 0.000 0.561 186 G N 1.345 110.190 108.800 0.075 0.000 2.507 186 G HA2 0.450 4.410 3.960 0.001 0.000 0.271 186 G HA3 0.450 4.410 3.960 0.001 0.000 0.271 186 G C -0.152 174.766 174.900 0.030 0.000 1.189 186 G CA -0.375 44.744 45.100 0.031 0.000 0.859 186 G HN 0.841 nan 8.290 nan 0.000 0.542 187 A N 0.702 123.530 122.820 0.013 0.000 2.445 187 A HA 0.589 4.910 4.320 0.001 0.000 0.242 187 A C 0.829 178.409 177.584 -0.005 0.000 1.075 187 A CA -0.117 51.923 52.037 0.004 0.000 0.777 187 A CB 0.212 19.212 19.000 0.000 0.000 1.013 187 A HN 0.979 nan 8.150 nan 0.000 0.493 188 R N 1.976 122.470 120.500 -0.009 0.000 2.854 188 R HA 0.724 5.064 4.340 0.001 0.000 0.271 188 R C -2.928 173.362 176.300 -0.016 0.000 0.996 188 R CA -1.869 54.220 56.100 -0.018 0.000 0.961 188 R CB 0.735 31.022 30.300 -0.022 0.000 1.182 188 R HN 0.460 nan 8.270 nan 0.000 0.479 189 P HA -0.072 nan 4.420 nan 0.000 0.267 189 P C -0.728 176.568 177.300 -0.007 0.000 1.200 189 P CA 0.076 63.169 63.100 -0.012 0.000 0.772 189 P CB 0.473 32.164 31.700 -0.014 0.000 0.855 190 D N 3.330 123.728 120.400 -0.003 0.000 2.525 190 D HA -0.051 4.590 4.640 0.001 0.000 0.235 190 D C -1.358 174.944 176.300 0.003 0.000 1.137 190 D CA -1.064 52.936 54.000 0.000 0.000 0.868 190 D CB 0.727 41.528 40.800 0.002 0.000 1.180 190 D HN 0.114 nan 8.370 nan 0.000 0.465 191 P HA -0.139 nan 4.420 nan 0.000 0.217 191 P C 0.965 178.273 177.300 0.013 0.000 1.148 191 P CA 1.651 64.757 63.100 0.010 0.000 0.828 191 P CB 0.079 31.784 31.700 0.009 0.000 0.783 192 A N -0.018 122.808 122.820 0.010 0.000 1.908 192 A HA -0.230 4.091 4.320 0.001 0.000 0.218 192 A C 1.989 179.582 177.584 0.014 0.000 1.181 192 A CA 2.094 54.138 52.037 0.011 0.000 0.627 192 A CB -1.300 17.705 19.000 0.008 0.000 0.818 192 A HN 0.113 nan 8.150 nan 0.000 0.445 193 D N -0.506 119.903 120.400 0.014 0.000 2.117 193 D HA -0.094 4.547 4.640 0.001 0.000 0.198 193 D C 1.843 178.157 176.300 0.024 0.000 0.982 193 D CA 0.975 54.985 54.000 0.017 0.000 0.828 193 D CB -0.432 40.375 40.800 0.012 0.000 0.967 193 D HN 0.313 nan 8.370 nan 0.000 0.464 194 L N 1.258 122.495 121.223 0.022 0.000 2.042 194 L HA -0.187 4.154 4.340 0.001 0.000 0.210 194 L C 1.595 178.498 176.870 0.055 0.000 1.076 194 L CA 1.747 56.607 54.840 0.034 0.000 0.749 194 L CB -0.371 41.703 42.059 0.025 0.000 0.893 194 L HN -0.158 nan 8.230 nan 0.000 0.432 195 D N -1.053 119.372 120.400 0.042 0.000 2.084 195 D HA -0.215 4.426 4.640 0.001 0.000 0.194 195 D C 2.242 178.564 176.300 0.037 0.000 0.990 195 D CA 1.245 55.268 54.000 0.039 0.000 0.826 195 D CB -0.118 40.696 40.800 0.022 0.000 0.971 195 D HN 0.419 nan 8.370 nan 0.000 0.453 196 Q N -0.010 119.809 119.800 0.031 0.000 2.112 196 Q HA -0.170 4.171 4.340 0.001 0.000 0.206 196 Q C 2.130 178.157 176.000 0.045 0.000 0.987 196 Q CA 1.643 57.464 55.803 0.029 0.000 0.858 196 Q CB -0.150 28.602 28.738 0.024 0.000 0.905 196 Q HN 0.260 nan 8.270 nan 0.000 0.420 197 A N 0.672 123.528 122.820 0.059 0.000 1.858 197 A HA -0.164 4.157 4.320 0.001 0.000 0.216 197 A C 2.042 179.704 177.584 0.130 0.000 1.190 197 A CA 1.210 53.298 52.037 0.086 0.000 0.617 197 A CB -0.739 18.310 19.000 0.081 0.000 0.827 197 A HN 0.307 nan 8.150 nan 0.000 0.443 198 L N -0.766 120.549 121.223 0.152 0.000 2.093 198 L HA -0.162 4.179 4.340 0.001 0.000 0.208 198 L C 3.060 179.984 176.870 0.090 0.000 1.085 198 L CA 0.931 55.902 54.840 0.219 0.000 0.755 198 L CB -0.603 41.600 42.059 0.240 0.000 0.904 198 L HN 0.447 nan 8.230 nan 0.000 0.435 199 A N 0.201 123.041 122.820 0.034 0.000 1.902 199 A HA -0.158 4.162 4.320 0.001 0.000 0.217 199 A C 2.272 179.855 177.584 -0.001 0.000 1.181 199 A CA 1.417 53.444 52.037 -0.016 0.000 0.623 199 A CB -0.624 18.368 19.000 -0.013 0.000 0.818 199 A HN 0.348 nan 8.150 nan 0.000 0.443 200 L N -1.228 120.016 121.223 0.034 0.000 2.109 200 L HA -0.114 4.226 4.340 0.001 0.000 0.207 200 L C 2.481 179.389 176.870 0.063 0.000 1.086 200 L CA 0.793 55.656 54.840 0.038 0.000 0.760 200 L CB -0.295 41.791 42.059 0.045 0.000 0.910 200 L HN 0.444 nan 8.230 nan 0.000 0.437 201 L N -0.143 121.154 121.223 0.122 0.000 2.093 201 L HA -0.183 4.158 4.340 0.001 0.000 0.208 201 L C 2.638 179.635 176.870 0.211 0.000 1.085 201 L CA 1.655 56.618 54.840 0.205 0.000 0.755 201 L CB -0.533 41.736 42.059 0.350 0.000 0.904 201 L HN 0.110 nan 8.230 nan 0.000 0.435 202 R N -0.375 120.176 120.500 0.086 0.000 2.148 202 R HA -0.161 4.180 4.340 0.001 0.000 0.223 202 R C 2.316 178.597 176.300 -0.032 0.000 1.088 202 R CA 1.212 57.275 56.100 -0.061 0.000 0.985 202 R CB -0.136 29.941 30.300 -0.371 0.000 0.880 202 R HN 0.382 nan 8.270 nan 0.000 0.451 203 K N 0.494 120.881 120.400 -0.022 0.000 2.211 203 K HA 0.011 4.332 4.320 0.001 0.000 0.203 203 K C 0.139 176.727 176.600 -0.020 0.000 1.050 203 K CA 0.760 57.033 56.287 -0.024 0.000 0.945 203 K CB -0.022 32.466 32.500 -0.020 0.000 0.732 203 K HN 0.138 nan 8.250 nan 0.000 0.451 204 A N 1.721 124.538 122.820 -0.005 0.000 2.462 204 A HA 0.033 4.353 4.320 0.001 0.000 0.243 204 A C 0.398 177.934 177.584 -0.080 0.000 1.076 204 A CA -0.140 51.873 52.037 -0.040 0.000 0.773 204 A CB 0.388 19.374 19.000 -0.024 0.000 1.010 204 A HN 0.457 nan 8.150 nan 0.000 0.493 205 E N 1.092 121.207 120.200 -0.142 0.000 2.251 205 E HA 0.019 4.369 4.350 0.001 0.000 0.194 205 E C 0.127 176.489 176.600 -0.396 0.000 0.964 205 E CA 0.489 56.780 56.400 -0.180 0.000 0.868 205 E CB 0.279 29.899 29.700 -0.134 0.000 0.828 205 E HN 0.666 nan 8.360 nan 0.000 0.481 206 R N 1.621 121.774 120.500 -0.577 0.000 2.681 206 R HA 0.232 4.573 4.340 0.001 0.000 0.277 206 R C -2.619 173.179 176.300 -0.836 0.000 1.563 206 R CA -1.480 53.835 56.100 -1.309 0.000 1.673 206 R CB 1.278 30.769 30.300 -1.349 0.000 1.258 206 R HN 0.054 nan 8.270 nan 0.000 0.650 207 P HA 0.236 nan 4.420 nan 0.000 0.277 207 P C -0.406 177.052 177.300 0.264 0.000 1.240 207 P CA -0.305 62.775 63.100 -0.033 0.000 0.798 207 P CB 1.834 33.565 31.700 0.051 0.000 0.979 208 V N 2.806 122.861 119.914 0.236 0.000 3.012 208 V HA 0.427 4.547 4.120 0.001 0.000 0.307 208 V C -0.131 176.094 176.094 0.218 0.000 1.166 208 V CA -0.663 61.831 62.300 0.323 0.000 0.974 208 V CB 2.346 34.328 31.823 0.266 0.000 1.040 208 V HN 0.369 nan 8.190 nan 0.000 0.428 209 I N 3.370 124.094 120.570 0.257 0.000 2.465 209 I HA 0.625 4.796 4.170 0.001 0.000 0.291 209 I C -0.931 175.299 176.117 0.189 0.000 1.014 209 I CA -0.907 60.504 61.300 0.184 0.000 1.093 209 I CB 2.130 40.241 38.000 0.184 0.000 1.267 209 I HN 0.223 nan 8.210 nan 0.000 0.431 210 V N 6.841 126.806 119.914 0.085 0.000 2.487 210 V HA 0.467 4.587 4.120 0.001 0.000 0.298 210 V C -0.136 175.961 176.094 0.005 0.000 1.028 210 V CA -0.584 61.745 62.300 0.048 0.000 0.860 210 V CB 1.788 33.579 31.823 -0.053 0.000 0.991 210 V HN 0.466 nan 8.190 nan 0.000 0.427 211 L N 4.123 125.354 121.223 0.014 0.000 2.309 211 L HA 0.870 5.211 4.340 0.001 0.000 0.282 211 L C 0.795 177.645 176.870 -0.033 0.000 1.036 211 L CA -0.148 54.686 54.840 -0.010 0.000 0.806 211 L CB 1.601 43.661 42.059 0.001 0.000 1.220 211 L HN 0.771 nan 8.230 nan 0.000 0.429 212 G N -0.302 108.470 108.800 -0.046 0.000 3.016 212 G HA2 0.337 4.298 3.960 0.001 0.000 0.270 212 G HA3 0.337 4.298 3.960 0.001 0.000 0.270 212 G C 0.755 175.623 174.900 -0.053 0.000 1.352 212 G CA 0.259 45.323 45.100 -0.059 0.000 1.060 212 G HN 0.634 nan 8.290 nan 0.000 0.538 213 S N -0.773 114.886 115.700 -0.068 0.000 2.387 213 S HA -0.166 4.305 4.470 0.001 0.000 0.230 213 S C 1.652 176.220 174.600 -0.054 0.000 1.035 213 S CA 2.133 60.294 58.200 -0.064 0.000 1.014 213 S CB -0.309 62.836 63.200 -0.092 0.000 0.836 213 S HN 0.523 nan 8.310 nan 0.000 0.466 214 E N 1.577 121.744 120.200 -0.055 0.000 2.150 214 E HA 0.003 4.354 4.350 0.001 0.000 0.193 214 E C 2.440 179.015 176.600 -0.041 0.000 0.985 214 E CA 1.044 57.416 56.400 -0.047 0.000 0.814 214 E CB -0.647 29.025 29.700 -0.047 0.000 0.752 214 E HN 0.738 nan 8.360 nan 0.000 0.466 215 A N 0.874 123.670 122.820 -0.039 0.000 1.933 215 A HA -0.129 4.192 4.320 0.001 0.000 0.218 215 A C 2.434 180.001 177.584 -0.029 0.000 1.175 215 A CA 1.646 53.663 52.037 -0.033 0.000 0.628 215 A CB -0.304 18.679 19.000 -0.028 0.000 0.814 215 A HN 0.143 nan 8.150 nan 0.000 0.444 216 S N -0.715 114.968 115.700 -0.028 0.000 2.461 216 S HA -0.028 4.443 4.470 0.001 0.000 0.228 216 S C 2.004 176.584 174.600 -0.034 0.000 1.005 216 S CA 0.472 58.657 58.200 -0.025 0.000 0.942 216 S CB -0.154 63.035 63.200 -0.018 0.000 0.776 216 S HN 0.482 nan 8.310 nan 0.000 0.514 217 R N 1.340 121.818 120.500 -0.037 0.000 2.115 217 R HA 0.011 4.352 4.340 0.001 0.000 0.226 217 R C 2.522 178.798 176.300 -0.040 0.000 1.100 217 R CA 1.658 57.734 56.100 -0.040 0.000 0.980 217 R CB -1.460 28.817 30.300 -0.039 0.000 0.875 217 R HN 0.638 nan 8.270 nan 0.000 0.445 218 T N -2.347 112.185 114.554 -0.036 0.000 3.009 218 T HA 0.245 4.595 4.350 0.001 0.000 0.258 218 T C 1.076 175.757 174.700 -0.033 0.000 1.063 218 T CA 0.581 62.660 62.100 -0.035 0.000 1.139 218 T CB 0.035 68.885 68.868 -0.031 0.000 0.890 218 T HN 0.239 nan 8.240 nan 0.000 0.471 219 A N 2.257 125.060 122.820 -0.030 0.000 2.560 219 A HA -0.170 4.150 4.320 0.001 0.000 0.299 219 A C 0.668 178.241 177.584 -0.020 0.000 1.484 219 A CA 0.582 52.604 52.037 -0.026 0.000 0.749 219 A CB -2.102 16.880 19.000 -0.031 0.000 1.072 219 A HN 0.689 nan 8.150 nan 0.000 0.426 220 R N 0.009 120.500 120.500 -0.016 0.000 4.390 220 R HA 0.168 4.509 4.340 0.001 0.000 0.229 220 R C 1.041 177.339 176.300 -0.005 0.000 1.674 220 R CA 0.049 56.144 56.100 -0.008 0.000 1.526 220 R CB 0.038 30.333 30.300 -0.008 0.000 1.418 220 R HN 0.658 nan 8.270 nan 0.000 0.790 221 K N 0.203 120.599 120.400 -0.006 0.000 2.063 221 K HA -0.174 4.147 4.320 0.001 0.000 0.208 221 K C 2.038 178.638 176.600 0.001 0.000 1.048 221 K CA 1.969 58.253 56.287 -0.005 0.000 0.928 221 K CB -0.030 32.464 32.500 -0.010 0.000 0.713 221 K HN 0.223 nan 8.250 nan 0.000 0.442 222 T N 0.490 115.045 114.554 0.002 0.000 2.746 222 T HA -0.106 4.245 4.350 0.001 0.000 0.267 222 T C 1.958 176.666 174.700 0.014 0.000 1.039 222 T CA 1.413 63.516 62.100 0.006 0.000 1.142 222 T CB -0.137 68.734 68.868 0.006 0.000 0.866 222 T HN 0.288 nan 8.240 nan 0.000 0.444 223 A N 0.955 123.785 122.820 0.017 0.000 1.929 223 A HA 0.145 4.465 4.320 0.001 0.000 0.216 223 A C 2.257 179.873 177.584 0.053 0.000 1.176 223 A CA 1.492 53.544 52.037 0.026 0.000 0.628 223 A CB -0.875 18.130 19.000 0.009 0.000 0.816 223 A HN 0.536 nan 8.150 nan 0.000 0.444 224 L N -0.054 121.195 121.223 0.044 0.000 2.017 224 L HA -0.118 4.223 4.340 0.001 0.000 0.208 224 L C 2.518 179.442 176.870 0.090 0.000 1.073 224 L CA 2.557 57.448 54.840 0.084 0.000 0.745 224 L CB -0.793 41.294 42.059 0.046 0.000 0.894 224 L HN 0.284 nan 8.230 nan 0.000 0.432 225 S N -0.326 115.394 115.700 0.033 0.000 2.365 225 S HA -0.244 4.227 4.470 0.001 0.000 0.225 225 S C 2.078 176.673 174.600 -0.008 0.000 1.039 225 S CA 1.329 59.529 58.200 -0.000 0.000 1.033 225 S CB -0.675 62.519 63.200 -0.011 0.000 0.887 225 S HN 0.708 nan 8.310 nan 0.000 0.447 226 A N 0.771 123.603 122.820 0.019 0.000 1.865 226 A HA -0.121 4.199 4.320 0.001 0.000 0.217 226 A C 1.938 179.528 177.584 0.009 0.000 1.191 226 A CA 1.739 53.784 52.037 0.013 0.000 0.623 226 A CB -1.014 18.008 19.000 0.035 0.000 0.826 226 A HN 0.561 nan 8.150 nan 0.000 0.444 227 F N 0.705 120.599 119.950 -0.093 0.000 2.095 227 F HA -0.178 4.350 4.527 0.001 0.000 0.298 227 F C 2.170 177.853 175.800 -0.195 0.000 1.104 227 F CA 2.103 60.021 58.000 -0.137 0.000 1.232 227 F CB -0.181 38.759 39.000 -0.100 0.000 0.987 227 F HN 0.031 nan 8.300 nan 0.000 0.475 228 V N 0.647 120.404 119.914 -0.262 0.000 2.594 228 V HA -0.305 3.815 4.120 0.001 0.000 0.253 228 V C 2.603 178.492 176.094 -0.343 0.000 1.069 228 V CA 1.584 63.672 62.300 -0.354 0.000 1.082 228 V CB -1.466 30.278 31.823 -0.132 0.000 0.680 228 V HN 0.542 nan 8.190 nan 0.000 0.469 229 A N 0.112 122.782 122.820 -0.250 0.000 1.854 229 A HA 0.000 4.321 4.320 0.001 0.000 0.214 229 A C 2.441 179.870 177.584 -0.259 0.000 1.192 229 A CA 1.725 53.643 52.037 -0.198 0.000 0.611 229 A CB -0.860 18.070 19.000 -0.117 0.000 0.832 229 A HN 0.531 nan 8.150 nan 0.000 0.442 230 A N -0.447 122.179 122.820 -0.323 0.000 1.972 230 A HA -0.092 4.229 4.320 0.001 0.000 0.219 230 A C 2.390 179.552 177.584 -0.703 0.000 1.169 230 A CA 2.611 54.428 52.037 -0.367 0.000 0.635 230 A CB -1.112 17.709 19.000 -0.299 0.000 0.810 230 A HN 0.755 nan 8.150 nan 0.000 0.446 231 T N -4.722 109.221 114.554 -1.017 0.000 3.010 231 T HA 0.370 4.720 4.350 0.001 0.000 0.252 231 T C 1.485 175.885 174.700 -0.501 0.000 1.047 231 T CA 1.174 62.505 62.100 -1.281 0.000 1.140 231 T CB -0.422 67.426 68.868 -1.699 0.000 0.885 231 T HN 1.748 nan 8.240 nan 0.000 0.464 232 G N 1.204 109.768 108.800 -0.394 0.000 2.246 232 G HA2 -0.170 3.791 3.960 0.001 0.000 0.273 232 G HA3 -0.170 3.791 3.960 0.001 0.000 0.273 232 G C -0.072 174.769 174.900 -0.099 0.000 1.055 232 G CA 0.076 45.066 45.100 -0.184 0.000 0.851 232 G HN 0.780 nan 8.290 nan 0.000 0.500 233 V N 0.816 120.632 119.914 -0.163 0.000 2.439 233 V HA 0.448 4.568 4.120 0.001 0.000 0.282 233 V C -1.345 174.751 176.094 0.004 0.000 1.039 233 V CA -1.739 60.558 62.300 -0.005 0.000 0.913 233 V CB 1.661 33.461 31.823 -0.038 0.000 0.983 233 V HN 0.161 nan 8.190 nan 0.000 0.460 234 P HA 0.219 nan 4.420 nan 0.000 0.269 234 P C -0.974 176.306 177.300 -0.033 0.000 1.215 234 P CA 0.006 63.075 63.100 -0.052 0.000 0.780 234 P CB 0.548 32.204 31.700 -0.073 0.000 0.898 235 V N 2.442 122.220 119.914 -0.228 0.000 2.656 235 V HA 0.517 4.638 4.120 0.001 0.000 0.307 235 V C -0.358 175.526 176.094 -0.350 0.000 1.051 235 V CA -0.404 61.820 62.300 -0.127 0.000 0.893 235 V CB 1.245 33.028 31.823 -0.066 0.000 0.999 235 V HN 0.381 nan 8.190 nan 0.000 0.426 236 F N 1.442 121.366 119.950 -0.042 0.000 2.639 236 F HA 0.969 5.497 4.527 0.001 0.000 0.339 236 F C 0.397 176.157 175.800 -0.065 0.000 1.071 236 F CA -0.584 57.376 58.000 -0.065 0.000 0.994 236 F CB 2.193 41.138 39.000 -0.092 0.000 1.341 236 F HN 0.727 nan 8.300 nan 0.000 0.498 237 A N 0.362 123.264 122.820 0.137 0.000 2.605 237 A HA 0.557 4.878 4.320 0.001 0.000 0.294 237 A C -1.878 175.693 177.584 -0.022 0.000 1.062 237 A CA -0.957 51.099 52.037 0.033 0.000 0.682 237 A CB 0.995 20.002 19.000 0.012 0.000 1.278 237 A HN 0.685 nan 8.150 nan 0.000 0.410 238 D N -0.078 120.280 120.400 -0.069 0.000 2.411 238 D HA 0.341 4.982 4.640 0.001 0.000 0.251 238 D C 0.659 176.934 176.300 -0.042 0.000 1.201 238 D CA -0.283 53.617 54.000 -0.167 0.000 0.996 238 D CB 0.016 40.709 40.800 -0.180 0.000 1.101 238 D HN 0.431 nan 8.370 nan 0.000 0.504 239 Y N -0.976 119.393 120.300 0.115 0.000 2.181 239 Y HA -0.162 4.389 4.550 0.001 0.000 0.284 239 Y C 2.304 178.338 175.900 0.223 0.000 1.179 239 Y CA 1.634 59.892 58.100 0.265 0.000 1.179 239 Y CB -0.755 37.843 38.460 0.229 0.000 0.973 239 Y HN 0.499 nan 8.280 nan 0.000 0.519 240 E N -0.485 119.830 120.200 0.191 0.000 2.216 240 E HA 0.027 4.377 4.350 0.001 0.000 0.192 240 E C 2.227 178.865 176.600 0.064 0.000 0.988 240 E CA 0.892 57.343 56.400 0.086 0.000 0.834 240 E CB -0.413 29.281 29.700 -0.011 0.000 0.772 240 E HN 0.350 nan 8.360 nan 0.000 0.479 241 G N -0.272 108.558 108.800 0.049 0.000 3.284 241 G HA2 -0.006 3.955 3.960 0.001 0.000 0.236 241 G HA3 -0.006 3.955 3.960 0.001 0.000 0.236 241 G C 1.097 176.016 174.900 0.032 0.000 1.158 241 G CA -0.078 45.035 45.100 0.022 0.000 0.774 241 G HN 0.230 nan 8.290 nan 0.000 0.545 242 L N 0.805 122.071 121.223 0.072 0.000 2.095 242 L HA 0.064 4.405 4.340 0.001 0.000 0.204 242 L C 2.802 179.679 176.870 0.013 0.000 1.080 242 L CA 1.845 56.701 54.840 0.027 0.000 0.759 242 L CB -0.490 41.563 42.059 -0.009 0.000 0.914 242 L HN 0.148 nan 8.230 nan 0.000 0.439 243 S N -0.341 115.393 115.700 0.056 0.000 2.392 243 S HA -0.237 4.234 4.470 0.001 0.000 0.232 243 S C 1.739 176.341 174.600 0.003 0.000 1.041 243 S CA 1.721 59.942 58.200 0.035 0.000 1.026 243 S CB -0.431 62.795 63.200 0.043 0.000 0.845 243 S HN 0.398 nan 8.310 nan 0.000 0.465 244 M N 0.576 120.177 119.600 0.000 0.000 2.722 244 M HA 0.188 4.668 4.480 0.001 0.000 0.238 244 M C 1.085 177.373 176.300 -0.021 0.000 1.098 244 M CA 0.688 55.982 55.300 -0.010 0.000 1.062 244 M CB -0.973 31.622 32.600 -0.007 0.000 1.573 244 M HN 0.333 nan 8.290 nan 0.000 0.531 245 L N -1.825 119.378 121.223 -0.033 0.000 2.556 245 L HA 0.080 4.421 4.340 0.001 0.000 0.226 245 L C 2.058 178.893 176.870 -0.059 0.000 1.089 245 L CA 0.054 54.861 54.840 -0.056 0.000 0.864 245 L CB -0.152 41.859 42.059 -0.080 0.000 1.067 245 L HN 0.121 nan 8.230 nan 0.000 0.477 246 S N 0.595 116.268 115.700 -0.046 0.000 2.442 246 S HA -0.077 4.393 4.470 0.001 0.000 0.236 246 S C 1.660 176.235 174.600 -0.042 0.000 1.007 246 S CA 1.250 59.423 58.200 -0.045 0.000 0.965 246 S CB -0.168 63.013 63.200 -0.031 0.000 0.773 246 S HN 0.559 nan 8.310 nan 0.000 0.504 247 G N 0.690 109.468 108.800 -0.037 0.000 3.707 247 G HA2 0.495 4.456 3.960 0.001 0.000 0.286 247 G HA3 0.495 4.456 3.960 0.001 0.000 0.286 247 G C -0.068 174.809 174.900 -0.039 0.000 1.112 247 G CA -0.284 44.796 45.100 -0.034 0.000 0.861 247 G HN 0.277 nan 8.290 nan 0.000 0.534 248 L N -0.122 121.071 121.223 -0.051 0.000 2.333 248 L HA 0.460 4.800 4.340 0.001 0.000 0.269 248 L C -2.422 174.406 176.870 -0.070 0.000 1.010 248 L CA -2.497 52.308 54.840 -0.059 0.000 0.818 248 L CB 2.171 44.190 42.059 -0.067 0.000 1.306 248 L HN -0.194 nan 8.230 nan 0.000 0.430 249 P HA 0.016 nan 4.420 nan 0.000 0.263 249 P C -0.072 177.175 177.300 -0.089 0.000 1.195 249 P CA -0.046 63.010 63.100 -0.075 0.000 0.762 249 P CB 0.481 32.136 31.700 -0.074 0.000 0.799 250 D N 2.891 123.240 120.400 -0.086 0.000 2.239 250 D HA -0.211 4.429 4.640 0.001 0.000 0.202 250 D C 1.789 178.023 176.300 -0.110 0.000 0.993 250 D CA 1.664 55.605 54.000 -0.099 0.000 0.874 250 D CB -0.097 40.651 40.800 -0.088 0.000 0.922 250 D HN 0.401 nan 8.370 nan 0.000 0.464 251 A N 1.286 124.047 122.820 -0.098 0.000 1.933 251 A HA -0.144 4.176 4.320 0.001 0.000 0.218 251 A C 1.880 179.387 177.584 -0.127 0.000 1.175 251 A CA 1.306 53.283 52.037 -0.101 0.000 0.628 251 A CB -0.311 18.642 19.000 -0.078 0.000 0.814 251 A HN 0.264 nan 8.150 nan 0.000 0.444 252 M N -0.901 118.619 119.600 -0.133 0.000 2.866 252 M HA 0.392 4.872 4.480 0.001 0.000 0.319 252 M C -0.440 175.735 176.300 -0.209 0.000 1.244 252 M CA 0.147 55.352 55.300 -0.159 0.000 0.974 252 M CB -0.384 32.138 32.600 -0.129 0.000 1.291 252 M HN 0.090 nan 8.290 nan 0.000 0.513 253 R N 0.598 120.960 120.500 -0.231 0.000 2.287 253 R HA 0.460 4.800 4.340 0.001 0.000 0.316 253 R C 1.210 177.280 176.300 -0.384 0.000 1.050 253 R CA -0.255 55.678 56.100 -0.278 0.000 0.983 253 R CB 1.257 31.442 30.300 -0.193 0.000 1.140 253 R HN 0.510 nan 8.270 nan 0.000 0.528 254 G N 1.370 109.741 108.800 -0.715 0.000 2.484 254 G HA2 0.150 4.110 3.960 0.001 0.000 0.218 254 G HA3 0.150 4.110 3.960 0.001 0.000 0.218 254 G C 0.806 175.393 174.900 -0.522 0.000 1.130 254 G CA 0.731 45.222 45.100 -1.014 0.000 0.784 254 G HN 0.863 nan 8.290 nan 0.000 0.543 255 G N -0.479 108.084 108.800 -0.395 0.000 2.481 255 G HA2 -0.198 3.763 3.960 0.001 0.000 0.230 255 G HA3 -0.198 3.763 3.960 0.001 0.000 0.230 255 G C -0.119 174.787 174.900 0.011 0.000 1.210 255 G CA -0.284 44.739 45.100 -0.127 0.000 0.936 255 G HN 0.555 nan 8.290 nan 0.000 0.583 256 L N 1.358 122.628 121.223 0.080 0.000 2.417 256 L HA 0.338 4.678 4.340 0.001 0.000 0.268 256 L C 2.339 179.320 176.870 0.184 0.000 1.158 256 L CA -0.101 54.798 54.840 0.097 0.000 0.819 256 L CB 1.402 43.500 42.059 0.066 0.000 1.112 256 L HN 0.813 nan 8.230 nan 0.000 0.458 257 V N -0.026 119.937 119.914 0.082 0.000 2.568 257 V HA -0.292 3.829 4.120 0.001 0.000 0.253 257 V C 2.100 178.145 176.094 -0.082 0.000 1.072 257 V CA 1.780 64.050 62.300 -0.051 0.000 1.084 257 V CB -1.419 30.324 31.823 -0.134 0.000 0.676 257 V HN 1.035 nan 8.190 nan 0.000 0.469 258 Q N 1.393 121.181 119.800 -0.021 0.000 2.173 258 Q HA -0.278 4.063 4.340 0.001 0.000 0.208 258 Q C 1.892 177.942 176.000 0.083 0.000 0.989 258 Q CA 2.063 57.876 55.803 0.018 0.000 0.872 258 Q CB -0.861 27.891 28.738 0.023 0.000 0.909 258 Q HN 0.616 nan 8.270 nan 0.000 0.420 259 N N 0.535 119.307 118.700 0.121 0.000 2.364 259 N HA -0.093 4.648 4.740 0.001 0.000 0.183 259 N C 1.315 176.919 175.510 0.156 0.000 1.022 259 N CA 0.653 53.834 53.050 0.219 0.000 0.883 259 N CB -0.134 38.543 38.487 0.317 0.000 0.965 259 N HN 0.204 nan 8.380 nan 0.000 0.438 260 L N 0.107 121.205 121.223 -0.208 0.000 2.465 260 L HA -0.045 4.295 4.340 0.001 0.000 0.224 260 L C 1.779 178.571 176.870 -0.131 0.000 1.145 260 L CA 0.789 55.255 54.840 -0.622 0.000 0.834 260 L CB -0.751 40.818 42.059 -0.817 0.000 0.944 260 L HN 0.157 nan 8.230 nan 0.000 0.451 261 Y N -0.731 119.549 120.300 -0.032 0.000 2.089 261 Y HA -0.303 4.248 4.550 0.001 0.000 0.282 261 Y C 2.826 178.812 175.900 0.144 0.000 1.139 261 Y CA 2.114 60.239 58.100 0.043 0.000 1.123 261 Y CB -0.458 38.024 38.460 0.036 0.000 0.980 261 Y HN 0.187 nan 8.280 nan 0.000 0.493 262 S N -0.305 115.624 115.700 0.382 0.000 2.500 262 S HA -0.176 4.295 4.470 0.001 0.000 0.239 262 S C 1.782 176.507 174.600 0.209 0.000 0.989 262 S CA 1.075 59.437 58.200 0.271 0.000 0.951 262 S CB -0.955 62.415 63.200 0.284 0.000 0.759 262 S HN 0.530 nan 8.310 nan 0.000 0.523 263 F N 1.348 121.298 119.950 -0.000 0.000 2.186 263 F HA 0.002 4.530 4.527 0.001 0.000 0.299 263 F C 2.543 178.349 175.800 0.009 0.000 1.090 263 F CA 0.648 58.666 58.000 0.031 0.000 1.307 263 F CB -0.336 38.703 39.000 0.064 0.000 1.019 263 F HN 0.295 nan 8.300 nan 0.000 0.489 264 A N -0.606 122.290 122.820 0.127 0.000 2.070 264 A HA -0.203 4.118 4.320 0.001 0.000 0.220 264 A C 1.795 179.386 177.584 0.011 0.000 1.159 264 A CA 1.245 53.306 52.037 0.039 0.000 0.656 264 A CB -0.470 18.506 19.000 -0.040 0.000 0.800 264 A HN 0.146 nan 8.150 nan 0.000 0.453 265 K N -0.469 119.930 120.400 -0.001 0.000 2.522 265 K HA 0.348 4.668 4.320 0.001 0.000 0.194 265 K C 0.605 177.203 176.600 -0.002 0.000 1.026 265 K CA 0.729 57.013 56.287 -0.005 0.000 1.119 265 K CB -0.160 32.338 32.500 -0.003 0.000 0.856 265 K HN 0.349 nan 8.250 nan 0.000 0.513 266 A N 0.209 123.031 122.820 0.004 0.000 2.622 266 A HA 0.210 4.531 4.320 0.001 0.000 0.283 266 A C -0.595 177.003 177.584 0.023 0.000 0.998 266 A CA -0.161 51.873 52.037 -0.006 0.000 0.985 266 A CB 0.177 19.142 19.000 -0.057 0.000 1.236 266 A HN 0.305 nan 8.150 nan 0.000 0.559 267 D N -0.610 119.811 120.400 0.035 0.000 2.792 267 D HA -0.232 4.408 4.640 0.001 0.000 0.231 267 D C 0.676 177.021 176.300 0.076 0.000 1.160 267 D CA 1.342 55.368 54.000 0.045 0.000 0.697 267 D CB -1.453 39.365 40.800 0.029 0.000 1.070 267 D HN 0.821 nan 8.370 nan 0.000 0.426 268 A N -0.917 121.977 122.820 0.122 0.000 2.637 268 A HA 0.604 4.925 4.320 0.001 0.000 0.293 268 A C 0.942 178.755 177.584 0.382 0.000 1.216 268 A CA 0.418 52.598 52.037 0.238 0.000 0.956 268 A CB 0.422 19.547 19.000 0.208 0.000 1.174 268 A HN 0.379 nan 8.150 nan 0.000 0.525 269 A N 1.500 124.460 122.820 0.234 0.000 2.488 269 A HA 0.528 4.849 4.320 0.001 0.000 0.249 269 A C -2.280 175.379 177.584 0.126 0.000 1.083 269 A CA -0.876 51.285 52.037 0.207 0.000 0.768 269 A CB -0.498 18.560 19.000 0.097 0.000 1.017 269 A HN 0.294 nan 8.150 nan 0.000 0.496 270 P HA -0.072 nan 4.420 nan 0.000 0.264 270 P C 0.079 177.339 177.300 -0.068 0.000 1.173 270 P CA 0.700 63.802 63.100 0.003 0.000 0.761 270 P CB 0.538 32.247 31.700 0.016 0.000 0.794 271 D N 1.618 121.932 120.400 -0.143 0.000 2.301 271 D HA 0.165 4.805 4.640 0.001 0.000 0.206 271 D C -0.032 176.232 176.300 -0.059 0.000 0.979 271 D CA 0.541 54.471 54.000 -0.117 0.000 0.874 271 D CB 0.245 40.933 40.800 -0.187 0.000 0.968 271 D HN 0.194 nan 8.370 nan 0.000 0.510 272 L N -0.141 121.055 121.223 -0.045 0.000 2.643 272 L HA 0.408 4.749 4.340 0.001 0.000 0.257 272 L C -2.140 174.740 176.870 0.016 0.000 0.922 272 L CA -0.715 54.123 54.840 -0.004 0.000 0.909 272 L CB 1.814 43.877 42.059 0.005 0.000 1.424 272 L HN -0.234 nan 8.230 nan 0.000 0.422 273 V N 5.628 125.557 119.914 0.025 0.000 2.525 273 V HA 0.571 4.692 4.120 0.001 0.000 0.299 273 V C -1.468 174.642 176.094 0.028 0.000 1.034 273 V CA -0.508 61.805 62.300 0.022 0.000 0.863 273 V CB 1.863 33.669 31.823 -0.027 0.000 0.999 273 V HN 0.732 nan 8.190 nan 0.000 0.423 274 L N 7.803 129.058 121.223 0.052 0.000 2.270 274 L HA 0.595 4.936 4.340 0.001 0.000 0.286 274 L C 0.007 176.883 176.870 0.010 0.000 1.059 274 L CA 0.222 55.092 54.840 0.050 0.000 0.839 274 L CB 0.873 42.995 42.059 0.104 0.000 1.221 274 L HN 0.761 nan 8.230 nan 0.000 0.431 275 M N 6.266 125.843 119.600 -0.039 0.000 2.108 275 M HA 0.303 4.784 4.480 0.001 0.000 0.347 275 M C -0.761 175.501 176.300 -0.063 0.000 1.326 275 M CA 0.145 55.392 55.300 -0.089 0.000 1.126 275 M CB 0.613 33.096 32.600 -0.195 0.000 1.606 275 M HN 0.411 nan 8.290 nan 0.000 0.462 276 L N 3.639 124.832 121.223 -0.051 0.000 2.321 276 L HA 0.421 4.761 4.340 0.001 0.000 0.272 276 L C 1.035 177.872 176.870 -0.055 0.000 1.050 276 L CA -0.312 54.498 54.840 -0.050 0.000 0.893 276 L CB 0.677 42.709 42.059 -0.046 0.000 1.272 276 L HN 1.086 nan 8.230 nan 0.000 0.435 277 G N 2.289 111.055 108.800 -0.057 0.000 2.189 277 G HA2 -0.302 3.658 3.960 0.001 0.000 0.267 277 G HA3 -0.302 3.658 3.960 0.001 0.000 0.267 277 G C 0.405 175.264 174.900 -0.069 0.000 0.975 277 G CA 0.216 45.283 45.100 -0.056 0.000 0.644 277 G HN 0.758 nan 8.290 nan 0.000 0.537 278 A N 0.395 123.160 122.820 -0.091 0.000 2.302 278 A HA 0.737 5.058 4.320 0.001 0.000 0.295 278 A C 0.699 178.191 177.584 -0.154 0.000 1.235 278 A CA -0.216 51.749 52.037 -0.119 0.000 0.876 278 A CB 0.302 19.215 19.000 -0.144 0.000 1.133 278 A HN 0.471 nan 8.150 nan 0.000 0.533 279 R N 1.534 121.984 120.500 -0.082 0.000 2.410 279 R HA 0.327 4.667 4.340 0.001 0.000 0.288 279 R C -1.084 175.176 176.300 -0.067 0.000 1.051 279 R CA -0.265 55.818 56.100 -0.029 0.000 1.021 279 R CB 0.785 31.147 30.300 0.104 0.000 1.032 279 R HN 0.682 nan 8.270 nan 0.000 0.481 280 F N 1.763 121.713 119.950 -0.001 0.000 2.557 280 F HA 0.167 4.694 4.527 0.001 0.000 0.384 280 F C 1.466 177.241 175.800 -0.041 0.000 1.057 280 F CA 1.432 59.418 58.000 -0.023 0.000 1.169 280 F CB 0.581 39.574 39.000 -0.011 0.000 1.070 280 F HN 0.718 nan 8.300 nan 0.000 0.554 281 G N 2.241 111.072 108.800 0.052 0.000 2.452 281 G HA2 0.077 4.038 3.960 0.001 0.000 0.224 281 G HA3 0.077 4.038 3.960 0.001 0.000 0.224 281 G C -0.219 174.379 174.900 -0.503 0.000 1.208 281 G CA -0.495 44.512 45.100 -0.154 0.000 0.946 281 G HN 0.491 nan 8.290 nan 0.000 0.481 282 L N 0.995 121.956 121.223 -0.437 0.000 2.013 282 L HA -0.012 4.329 4.340 0.001 0.000 0.212 282 L C 2.243 179.007 176.870 -0.177 0.000 1.073 282 L CA 2.979 57.619 54.840 -0.333 0.000 0.753 282 L CB -0.693 41.406 42.059 0.067 0.000 0.890 282 L HN 0.538 nan 8.230 nan 0.000 0.432 283 N N -1.167 117.523 118.700 -0.017 0.000 2.354 283 N HA -0.056 4.684 4.740 0.001 0.000 0.179 283 N C 1.295 176.725 175.510 -0.134 0.000 1.021 283 N CA 1.456 54.453 53.050 -0.088 0.000 0.887 283 N CB -0.351 38.068 38.487 -0.115 0.000 0.974 283 N HN 0.602 nan 8.380 nan 0.000 0.437 284 T N -3.197 111.275 114.554 -0.137 0.000 3.145 284 T HA 0.395 4.746 4.350 0.001 0.000 0.255 284 T C 1.127 175.772 174.700 -0.091 0.000 1.039 284 T CA 0.115 62.132 62.100 -0.138 0.000 0.928 284 T CB 0.254 69.008 68.868 -0.190 0.000 1.029 284 T HN 0.227 nan 8.240 nan 0.000 0.554 285 G N 1.667 110.394 108.800 -0.122 0.000 2.176 285 G HA2 -0.289 3.672 3.960 0.001 0.000 0.252 285 G HA3 -0.289 3.672 3.960 0.001 0.000 0.252 285 G C 0.322 175.262 174.900 0.068 0.000 1.024 285 G CA 0.672 45.755 45.100 -0.028 0.000 0.755 285 G HN 0.884 nan 8.290 nan 0.000 0.507 286 H N -1.923 117.199 119.070 0.087 0.000 1.452 286 H HA -0.244 4.312 4.556 0.001 0.000 0.090 286 H C 1.988 177.395 175.328 0.130 0.000 0.623 286 H CA 2.636 58.741 56.048 0.095 0.000 1.901 286 H CB -1.340 28.447 29.762 0.043 0.000 2.257 286 H HN 1.265 nan 8.280 nan 0.000 0.961 287 G N -0.887 108.042 108.800 0.216 0.000 3.839 287 G HA2 0.281 4.242 3.960 0.001 0.000 0.286 287 G HA3 0.281 4.242 3.960 0.001 0.000 0.286 287 G C 0.968 175.921 174.900 0.089 0.000 1.005 287 G CA 0.634 45.773 45.100 0.066 0.000 0.824 287 G HN 0.712 nan 8.290 nan 0.000 0.489 288 S N -0.312 115.460 115.700 0.120 0.000 2.447 288 S HA 0.227 4.698 4.470 0.001 0.000 0.233 288 S C 2.048 176.706 174.600 0.096 0.000 1.006 288 S CA 1.169 59.457 58.200 0.146 0.000 0.957 288 S CB -0.254 63.034 63.200 0.146 0.000 0.773 288 S HN 1.512 nan 8.310 nan 0.000 0.507 289 G N 0.766 109.461 108.800 -0.175 0.000 2.143 289 G HA2 -0.295 3.666 3.960 0.001 0.000 0.248 289 G HA3 -0.295 3.666 3.960 0.001 0.000 0.248 289 G C 0.586 175.432 174.900 -0.089 0.000 0.991 289 G CA 0.547 45.426 45.100 -0.368 0.000 0.689 289 G HN 0.572 nan 8.290 nan 0.000 0.522 290 Q N -1.122 118.666 119.800 -0.019 0.000 2.212 290 Q HA 0.283 4.623 4.340 0.001 0.000 0.199 290 Q C 2.590 178.569 176.000 -0.034 0.000 0.950 290 Q CA 1.083 56.882 55.803 -0.007 0.000 0.863 290 Q CB 0.103 28.899 28.738 0.097 0.000 0.944 290 Q HN 0.681 nan 8.270 nan 0.000 0.465 291 L N -0.316 120.886 121.223 -0.035 0.000 2.453 291 L HA 0.167 4.508 4.340 0.001 0.000 0.190 291 L C 0.632 177.412 176.870 -0.149 0.000 1.093 291 L CA -0.051 54.728 54.840 -0.102 0.000 0.834 291 L CB 0.259 42.255 42.059 -0.105 0.000 1.090 291 L HN 0.084 nan 8.230 nan 0.000 0.489 292 I N 2.404 122.909 120.570 -0.109 0.000 2.294 292 I HA 0.242 4.412 4.170 0.001 0.000 0.295 292 I C -2.297 173.771 176.117 -0.083 0.000 1.098 292 I CA -2.219 59.031 61.300 -0.084 0.000 1.277 292 I CB -0.333 37.663 38.000 -0.008 0.000 1.434 292 I HN -0.176 nan 8.210 nan 0.000 0.498 293 P HA 0.139 nan 4.420 nan 0.000 0.271 293 P C 0.568 177.834 177.300 -0.056 0.000 1.218 293 P CA 0.046 63.111 63.100 -0.059 0.000 0.780 293 P CB 0.591 32.285 31.700 -0.010 0.000 0.901 294 H N -0.026 119.057 119.070 0.022 0.000 2.457 294 H HA -0.100 4.457 4.556 0.001 0.000 0.294 294 H C 1.757 177.090 175.328 0.009 0.000 1.064 294 H CA 1.982 58.038 56.048 0.013 0.000 1.330 294 H CB 0.049 29.813 29.762 0.002 0.000 1.395 294 H HN 0.415 nan 8.280 nan 0.000 0.541 295 S N -0.149 115.621 115.700 0.116 0.000 2.496 295 S HA 0.211 4.682 4.470 0.001 0.000 0.224 295 S C 1.261 175.882 174.600 0.036 0.000 0.996 295 S CA -0.001 58.236 58.200 0.063 0.000 0.927 295 S CB 0.235 63.461 63.200 0.044 0.000 0.774 295 S HN 0.371 nan 8.310 nan 0.000 0.524 296 A N 1.622 124.460 122.820 0.030 0.000 2.371 296 A HA 0.405 4.726 4.320 0.001 0.000 0.257 296 A C 0.145 177.747 177.584 0.030 0.000 1.089 296 A CA -0.445 51.600 52.037 0.015 0.000 0.794 296 A CB 0.196 19.197 19.000 0.002 0.000 1.029 296 A HN 0.486 nan 8.150 nan 0.000 0.488 297 Q N 1.117 120.931 119.800 0.023 0.000 2.322 297 Q HA 0.400 4.741 4.340 0.001 0.000 0.256 297 Q C -0.990 175.038 176.000 0.047 0.000 0.960 297 Q CA -0.402 55.422 55.803 0.035 0.000 0.934 297 Q CB 1.488 30.241 28.738 0.025 0.000 1.200 297 Q HN 0.522 nan 8.270 nan 0.000 0.435 298 V N 4.845 124.801 119.914 0.070 0.000 2.432 298 V HA 0.296 4.416 4.120 0.001 0.000 0.275 298 V C -0.028 176.112 176.094 0.076 0.000 1.043 298 V CA -0.483 61.869 62.300 0.087 0.000 0.925 298 V CB 0.920 32.846 31.823 0.172 0.000 0.985 298 V HN 0.591 nan 8.190 nan 0.000 0.466 299 I N 4.625 125.231 120.570 0.059 0.000 2.339 299 I HA 0.416 4.586 4.170 0.001 0.000 0.290 299 I C 0.055 176.195 176.117 0.038 0.000 0.994 299 I CA 0.241 61.572 61.300 0.052 0.000 1.191 299 I CB 1.334 39.365 38.000 0.052 0.000 1.343 299 I HN 0.622 nan 8.210 nan 0.000 0.458 300 Q N 5.442 125.269 119.800 0.045 0.000 2.331 300 Q HA 0.659 5.000 4.340 0.001 0.000 0.267 300 Q C -1.680 174.330 176.000 0.016 0.000 1.006 300 Q CA -0.686 55.133 55.803 0.027 0.000 0.818 300 Q CB 2.230 31.013 28.738 0.074 0.000 1.276 300 Q HN 0.492 nan 8.270 nan 0.000 0.450 301 V N 3.810 123.720 119.914 -0.008 0.000 2.378 301 V HA 0.429 4.550 4.120 0.001 0.000 0.288 301 V C -0.948 175.135 176.094 -0.019 0.000 1.016 301 V CA -0.564 61.727 62.300 -0.014 0.000 0.840 301 V CB 1.638 33.443 31.823 -0.031 0.000 0.994 301 V HN 0.830 nan 8.190 nan 0.000 0.431 302 D N 5.041 125.436 120.400 -0.009 0.000 2.753 302 D HA 0.529 5.169 4.640 0.001 0.000 0.224 302 D C -1.977 174.318 176.300 -0.009 0.000 1.213 302 D CA -1.325 52.668 54.000 -0.011 0.000 0.833 302 D CB 3.494 44.294 40.800 0.001 0.000 1.607 302 D HN 0.235 nan 8.370 nan 0.000 0.463 303 P HA -0.021 nan 4.420 nan 0.000 0.223 303 P C -0.262 177.034 177.300 -0.005 0.000 1.151 303 P CA 0.676 63.769 63.100 -0.012 0.000 0.787 303 P CB 0.277 31.966 31.700 -0.020 0.000 0.788 304 D N -0.438 119.960 120.400 -0.004 0.000 2.303 304 D HA 0.382 5.022 4.640 0.001 0.000 0.236 304 D C 1.038 177.349 176.300 0.018 0.000 1.068 304 D CA -0.655 53.347 54.000 0.005 0.000 0.830 304 D CB 1.525 42.322 40.800 -0.005 0.000 1.109 304 D HN -0.155 nan 8.370 nan 0.000 0.496 305 A N 3.036 125.869 122.820 0.021 0.000 2.015 305 A HA -0.116 4.204 4.320 0.001 0.000 0.219 305 A C 2.330 179.934 177.584 0.034 0.000 1.163 305 A CA 0.751 52.804 52.037 0.026 0.000 0.646 305 A CB -0.542 18.471 19.000 0.023 0.000 0.806 305 A HN 0.762 nan 8.150 nan 0.000 0.448 306 C N -0.240 119.081 119.300 0.035 0.000 2.413 306 C HA -0.085 4.375 4.460 0.001 0.000 0.277 306 C C 2.535 177.554 174.990 0.050 0.000 1.265 306 C CA 1.196 60.237 59.018 0.040 0.000 1.752 306 C CB -0.908 26.857 27.740 0.042 0.000 1.998 306 C HN 0.588 nan 8.230 nan 0.000 0.489 307 E N 0.278 120.511 120.200 0.056 0.000 2.274 307 E HA 0.002 4.353 4.350 0.001 0.000 0.194 307 E C 0.543 177.218 176.600 0.126 0.000 0.996 307 E CA 0.397 56.849 56.400 0.086 0.000 0.840 307 E CB -0.303 29.436 29.700 0.066 0.000 0.772 307 E HN 0.408 nan 8.360 nan 0.000 0.491 308 L N 1.291 122.569 121.223 0.091 0.000 2.583 308 L HA 0.079 4.420 4.340 0.001 0.000 0.280 308 L C 1.161 178.091 176.870 0.099 0.000 1.261 308 L CA 0.942 55.843 54.840 0.102 0.000 1.164 308 L CB -0.977 41.119 42.059 0.062 0.000 1.402 308 L HN 0.244 nan 8.230 nan 0.000 0.443 309 G N 2.525 111.422 108.800 0.162 0.000 2.171 309 G HA2 -0.357 3.604 3.960 0.001 0.000 0.238 309 G HA3 -0.357 3.604 3.960 0.001 0.000 0.238 309 G C 1.277 176.109 174.900 -0.114 0.000 1.039 309 G CA 0.565 45.663 45.100 -0.005 0.000 0.759 309 G HN 0.696 nan 8.290 nan 0.000 0.501 310 R N -0.597 119.888 120.500 -0.026 0.000 2.120 310 R HA 0.186 4.527 4.340 0.001 0.000 0.234 310 R C 1.874 178.105 176.300 -0.115 0.000 1.123 310 R CA 1.999 58.079 56.100 -0.033 0.000 0.975 310 R CB -0.205 30.120 30.300 0.042 0.000 0.866 310 R HN 0.512 nan 8.270 nan 0.000 0.446 311 L N -1.078 119.978 121.223 -0.279 0.000 2.966 311 L HA 0.332 4.673 4.340 0.001 0.000 0.262 311 L C 0.097 176.727 176.870 -0.400 0.000 1.165 311 L CA -0.268 54.413 54.840 -0.264 0.000 0.978 311 L CB 0.699 42.683 42.059 -0.126 0.000 1.337 311 L HN 0.259 nan 8.230 nan 0.000 0.563 312 Q N -0.049 119.357 119.800 -0.656 0.000 2.327 312 Q HA 0.408 4.748 4.340 0.001 0.000 0.265 312 Q C -0.447 175.337 176.000 -0.360 0.000 0.993 312 Q CA -0.544 54.940 55.803 -0.531 0.000 0.885 312 Q CB 2.242 30.516 28.738 -0.775 0.000 1.379 312 Q HN 0.129 nan 8.270 nan 0.000 0.408 313 G N 3.850 112.566 108.800 -0.139 0.000 2.272 313 G HA2 0.366 4.327 3.960 0.001 0.000 0.247 313 G HA3 0.366 4.327 3.960 0.001 0.000 0.247 313 G C 0.068 174.961 174.900 -0.013 0.000 1.272 313 G CA -0.047 45.018 45.100 -0.058 0.000 0.921 313 G HN 0.615 nan 8.290 nan 0.000 0.495 314 I N 0.093 120.674 120.570 0.019 0.000 2.750 314 I HA 0.753 4.923 4.170 0.001 0.000 0.308 314 I C 0.927 177.075 176.117 0.052 0.000 1.016 314 I CA -1.272 60.071 61.300 0.073 0.000 1.098 314 I CB 2.248 40.324 38.000 0.127 0.000 1.279 314 I HN 0.409 nan 8.210 nan 0.000 0.454 315 A N 4.009 126.863 122.820 0.056 0.000 1.935 315 A HA 0.323 4.643 4.320 0.001 0.000 0.214 315 A C 0.550 178.156 177.584 0.037 0.000 1.178 315 A CA 0.898 52.959 52.037 0.040 0.000 0.640 315 A CB -0.045 18.978 19.000 0.038 0.000 0.825 315 A HN 0.672 nan 8.150 nan 0.000 0.447 316 L N -1.309 119.941 121.223 0.045 0.000 2.470 316 L HA 0.685 5.025 4.340 0.001 0.000 0.268 316 L C -0.478 176.418 176.870 0.043 0.000 0.964 316 L CA -0.071 54.792 54.840 0.038 0.000 0.839 316 L CB 1.679 43.759 42.059 0.036 0.000 1.276 316 L HN 0.098 nan 8.230 nan 0.000 0.403 317 G N 5.835 114.657 108.800 0.037 0.000 2.502 317 G HA2 0.649 4.609 3.960 0.001 0.000 0.311 317 G HA3 0.649 4.609 3.960 0.001 0.000 0.311 317 G C -1.131 173.785 174.900 0.026 0.000 1.270 317 G CA -0.315 44.808 45.100 0.039 0.000 0.948 317 G HN 0.542 nan 8.290 nan 0.000 0.487 318 I N 2.257 122.840 120.570 0.021 0.000 2.406 318 I HA 0.284 4.455 4.170 0.001 0.000 0.290 318 I C -0.188 175.934 176.117 0.008 0.000 0.999 318 I CA -1.143 60.164 61.300 0.011 0.000 1.124 318 I CB 2.375 40.377 38.000 0.004 0.000 1.289 318 I HN 0.236 nan 8.210 nan 0.000 0.441 319 V N 7.272 127.189 119.914 0.007 0.000 2.348 319 V HA 0.889 5.010 4.120 0.001 0.000 0.270 319 V C -0.089 176.004 176.094 -0.003 0.000 1.037 319 V CA 0.238 62.540 62.300 0.003 0.000 0.872 319 V CB 0.476 32.303 31.823 0.007 0.000 1.002 319 V HN 0.899 nan 8.190 nan 0.000 0.464 320 A N 4.460 127.275 122.820 -0.008 0.000 2.586 320 A HA 0.528 4.849 4.320 0.001 0.000 0.291 320 A C -1.143 176.430 177.584 -0.018 0.000 1.062 320 A CA -0.600 51.430 52.037 -0.013 0.000 0.666 320 A CB 1.071 20.061 19.000 -0.016 0.000 1.281 320 A HN 0.833 nan 8.150 nan 0.000 0.421 321 D N 0.234 120.623 120.400 -0.018 0.000 2.390 321 D HA 0.339 4.980 4.640 0.001 0.000 0.249 321 D C 1.253 177.533 176.300 -0.033 0.000 1.144 321 D CA 0.355 54.342 54.000 -0.022 0.000 0.880 321 D CB 1.167 41.958 40.800 -0.015 0.000 1.182 321 D HN 0.264 nan 8.370 nan 0.000 0.451 322 V N 4.100 123.992 119.914 -0.038 0.000 2.287 322 V HA -0.147 3.974 4.120 0.001 0.000 0.248 322 V C 2.332 178.393 176.094 -0.055 0.000 1.053 322 V CA 2.299 64.569 62.300 -0.050 0.000 1.027 322 V CB -0.927 30.868 31.823 -0.048 0.000 0.646 322 V HN 0.827 nan 8.190 nan 0.000 0.447 323 G N -0.125 108.651 108.800 -0.040 0.000 2.418 323 G HA2 -0.150 3.811 3.960 0.001 0.000 0.217 323 G HA3 -0.150 3.811 3.960 0.001 0.000 0.217 323 G C 1.615 176.498 174.900 -0.029 0.000 1.158 323 G CA 0.926 46.006 45.100 -0.034 0.000 0.771 323 G HN 0.596 nan 8.290 nan 0.000 0.545 324 G N 0.115 108.903 108.800 -0.021 0.000 2.408 324 G HA2 -0.101 3.860 3.960 0.001 0.000 0.217 324 G HA3 -0.101 3.860 3.960 0.001 0.000 0.217 324 G C 1.833 176.706 174.900 -0.045 0.000 1.150 324 G CA 1.699 46.789 45.100 -0.016 0.000 0.776 324 G HN 0.387 nan 8.290 nan 0.000 0.542 325 T N 1.397 115.912 114.554 -0.065 0.000 2.737 325 T HA -0.030 4.320 4.350 0.001 0.000 0.265 325 T C 2.389 176.989 174.700 -0.167 0.000 1.038 325 T CA 0.903 62.943 62.100 -0.100 0.000 1.144 325 T CB -0.144 68.665 68.868 -0.098 0.000 0.866 325 T HN 0.241 nan 8.240 nan 0.000 0.434 326 I N 0.891 121.359 120.570 -0.170 0.000 2.163 326 I HA -0.192 3.978 4.170 0.001 0.000 0.243 326 I C 2.745 178.764 176.117 -0.164 0.000 1.085 326 I CA 1.308 62.473 61.300 -0.225 0.000 1.347 326 I CB -0.334 37.584 38.000 -0.137 0.000 1.044 326 I HN 0.182 nan 8.210 nan 0.000 0.408 327 E N 1.113 121.261 120.200 -0.087 0.000 2.070 327 E HA -0.254 4.097 4.350 0.001 0.000 0.197 327 E C 2.156 178.725 176.600 -0.051 0.000 1.004 327 E CA 1.922 58.294 56.400 -0.046 0.000 0.805 327 E CB -0.240 29.449 29.700 -0.018 0.000 0.744 327 E HN 0.465 nan 8.360 nan 0.000 0.451 328 A N -0.038 122.742 122.820 -0.067 0.000 1.898 328 A HA -0.116 4.205 4.320 0.001 0.000 0.216 328 A C 2.289 179.839 177.584 -0.056 0.000 1.181 328 A CA 1.303 53.309 52.037 -0.051 0.000 0.620 328 A CB -0.646 18.324 19.000 -0.050 0.000 0.819 328 A HN 0.308 nan 8.150 nan 0.000 0.442 329 L N -0.876 120.252 121.223 -0.160 0.000 2.093 329 L HA -0.156 4.185 4.340 0.001 0.000 0.208 329 L C 3.022 179.901 176.870 0.016 0.000 1.085 329 L CA 1.007 55.710 54.840 -0.228 0.000 0.755 329 L CB -0.410 41.124 42.059 -0.876 0.000 0.904 329 L HN 0.429 nan 8.230 nan 0.000 0.435 330 A N -0.782 122.037 122.820 -0.002 0.000 1.968 330 A HA -0.228 4.093 4.320 0.001 0.000 0.217 330 A C 2.244 179.884 177.584 0.093 0.000 1.169 330 A CA 1.472 53.585 52.037 0.127 0.000 0.638 330 A CB -0.371 18.676 19.000 0.079 0.000 0.812 330 A HN 0.484 nan 8.150 nan 0.000 0.446 331 Q N -0.549 119.283 119.800 0.052 0.000 2.096 331 Q HA 0.024 4.365 4.340 0.001 0.000 0.197 331 Q C 2.022 178.064 176.000 0.071 0.000 0.964 331 Q CA 1.130 56.961 55.803 0.046 0.000 0.838 331 Q CB -0.298 28.451 28.738 0.018 0.000 0.906 331 Q HN 0.551 nan 8.270 nan 0.000 0.444 332 A N -0.263 122.610 122.820 0.088 0.000 2.172 332 A HA -0.104 4.216 4.320 0.001 0.000 0.216 332 A C 2.019 179.711 177.584 0.179 0.000 1.154 332 A CA 1.555 53.663 52.037 0.119 0.000 0.701 332 A CB -0.558 18.518 19.000 0.126 0.000 0.789 332 A HN 0.411 nan 8.150 nan 0.000 0.465 333 T N -0.756 113.914 114.554 0.193 0.000 3.014 333 T HA 0.197 4.548 4.350 0.001 0.000 0.263 333 T C 1.809 176.607 174.700 0.164 0.000 1.078 333 T CA 0.974 63.207 62.100 0.222 0.000 1.135 333 T CB -0.199 68.768 68.868 0.165 0.000 0.895 333 T HN 0.519 nan 8.240 nan 0.000 0.480 334 A N 1.231 124.118 122.820 0.113 0.000 2.235 334 A HA 0.043 4.364 4.320 0.001 0.000 0.208 334 A C 1.721 179.352 177.584 0.079 0.000 1.172 334 A CA 0.636 52.721 52.037 0.081 0.000 0.786 334 A CB -0.254 18.779 19.000 0.056 0.000 0.804 334 A HN 0.714 nan 8.150 nan 0.000 0.479 335 Q N -2.244 117.614 119.800 0.096 0.000 2.093 335 Q HA 0.176 4.517 4.340 0.001 0.000 0.217 335 Q C 0.139 176.191 176.000 0.087 0.000 0.785 335 Q CA -0.072 55.776 55.803 0.076 0.000 1.038 335 Q CB 0.203 28.976 28.738 0.057 0.000 1.190 335 Q HN 0.280 nan 8.270 nan 0.000 0.468 336 D N 1.994 122.480 120.400 0.142 0.000 2.394 336 D HA 0.129 4.769 4.640 0.001 0.000 0.237 336 D C 0.624 176.980 176.300 0.094 0.000 1.028 336 D CA 1.822 55.900 54.000 0.130 0.000 0.937 336 D CB 0.241 41.208 40.800 0.277 0.000 1.072 336 D HN 0.293 nan 8.370 nan 0.000 0.457 337 A N -0.504 122.437 122.820 0.202 0.000 2.687 337 A HA -0.001 4.319 4.320 0.001 0.000 0.299 337 A C 0.573 178.207 177.584 0.082 0.000 1.497 337 A CA 1.331 53.467 52.037 0.166 0.000 0.751 337 A CB -1.943 17.115 19.000 0.097 0.000 1.048 337 A HN 0.617 nan 8.150 nan 0.000 0.464 338 A N -1.540 121.285 122.820 0.009 0.000 2.897 338 A HA 0.516 4.837 4.320 0.001 0.000 0.230 338 A C -0.468 177.004 177.584 -0.188 0.000 0.896 338 A CA -0.255 51.723 52.037 -0.097 0.000 1.114 338 A CB -0.035 18.870 19.000 -0.158 0.000 1.230 338 A HN 0.947 nan 8.150 nan 0.000 0.481 339 W N 1.067 122.362 121.300 -0.008 0.000 2.417 339 W HA 0.573 5.234 4.660 0.001 0.000 0.317 339 W C -2.034 174.480 176.519 -0.008 0.000 1.121 339 W CA -1.731 55.606 57.345 -0.013 0.000 1.208 339 W CB 0.337 29.781 29.460 -0.028 0.000 1.253 339 W HN 0.228 nan 8.180 nan 0.000 0.533 340 P HA -0.105 nan 4.420 nan 0.000 0.269 340 P C 0.696 178.083 177.300 0.144 0.000 1.211 340 P CA 0.117 63.302 63.100 0.142 0.000 0.781 340 P CB 0.801 32.578 31.700 0.128 0.000 0.877 341 D N 1.244 121.702 120.400 0.098 0.000 2.158 341 D HA -0.188 4.452 4.640 0.001 0.000 0.197 341 D C 0.362 176.712 176.300 0.084 0.000 0.995 341 D CA 0.891 54.938 54.000 0.079 0.000 0.846 341 D CB -0.093 40.744 40.800 0.061 0.000 0.941 341 D HN 0.128 nan 8.370 nan 0.000 0.456 342 R N -1.390 119.179 120.500 0.115 0.000 3.405 342 R HA -0.151 4.189 4.340 0.001 0.000 0.258 342 R C 0.998 177.369 176.300 0.119 0.000 1.030 342 R CA 0.748 56.937 56.100 0.148 0.000 0.691 342 R CB -2.276 28.104 30.300 0.132 0.000 1.093 342 R HN 0.390 nan 8.270 nan 0.000 0.448 343 G N -1.114 107.746 108.800 0.099 0.000 2.720 343 G HA2 -0.050 3.910 3.960 0.001 0.000 0.204 343 G HA3 -0.050 3.910 3.960 0.001 0.000 0.204 343 G C 0.856 175.796 174.900 0.067 0.000 1.113 343 G CA 0.158 45.293 45.100 0.059 0.000 0.805 343 G HN 0.250 nan 8.290 nan 0.000 0.536 344 D N -0.386 120.077 120.400 0.105 0.000 2.323 344 D HA -0.027 4.614 4.640 0.001 0.000 0.209 344 D C 1.624 178.037 176.300 0.187 0.000 0.973 344 D CA 0.045 54.111 54.000 0.110 0.000 0.874 344 D CB 0.082 40.942 40.800 0.100 0.000 0.930 344 D HN 0.535 nan 8.370 nan 0.000 0.521 345 W N 0.810 122.130 121.300 0.034 0.000 2.539 345 W HA -0.128 4.532 4.660 0.001 0.000 0.281 345 W C 1.618 178.176 176.519 0.065 0.000 1.220 345 W CA 0.189 57.568 57.345 0.057 0.000 1.332 345 W CB -0.302 29.202 29.460 0.073 0.000 1.095 345 W HN -0.090 nan 8.180 nan 0.000 0.571 346 C N 1.392 120.631 119.300 -0.101 0.000 2.413 346 C HA -0.156 4.305 4.460 0.001 0.000 0.277 346 C C 3.215 178.087 174.990 -0.196 0.000 1.265 346 C CA 1.858 60.740 59.018 -0.226 0.000 1.752 346 C CB -1.532 26.148 27.740 -0.100 0.000 1.998 346 C HN 0.499 nan 8.230 nan 0.000 0.489 347 A N 0.411 123.172 122.820 -0.098 0.000 1.873 347 A HA -0.272 4.049 4.320 0.001 0.000 0.218 347 A C 2.084 179.595 177.584 -0.123 0.000 1.193 347 A CA 2.403 54.392 52.037 -0.080 0.000 0.629 347 A CB -0.572 18.414 19.000 -0.024 0.000 0.826 347 A HN 0.569 nan 8.150 nan 0.000 0.447 348 K N -0.585 119.734 120.400 -0.134 0.000 2.026 348 K HA -0.072 4.249 4.320 0.001 0.000 0.208 348 K C 1.793 178.176 176.600 -0.361 0.000 1.048 348 K CA 1.627 57.802 56.287 -0.187 0.000 0.929 348 K CB -0.524 31.956 32.500 -0.033 0.000 0.713 348 K HN 0.206 nan 8.250 nan 0.000 0.439 349 V N 0.371 119.986 119.914 -0.498 0.000 2.295 349 V HA -0.282 3.838 4.120 0.001 0.000 0.246 349 V C 2.078 178.101 176.094 -0.118 0.000 1.049 349 V CA 2.360 64.495 62.300 -0.276 0.000 1.024 349 V CB -0.698 30.888 31.823 -0.396 0.000 0.648 349 V HN 0.457 nan 8.190 nan 0.000 0.447 350 T N -0.466 113.987 114.554 -0.168 0.000 2.708 350 T HA -0.193 4.158 4.350 0.001 0.000 0.266 350 T C 1.696 176.345 174.700 -0.086 0.000 1.037 350 T CA 1.708 63.740 62.100 -0.113 0.000 1.146 350 T CB -0.396 68.402 68.868 -0.116 0.000 0.865 350 T HN 0.485 nan 8.240 nan 0.000 0.435 351 D N 0.929 121.264 120.400 -0.109 0.000 2.104 351 D HA -0.059 4.582 4.640 0.001 0.000 0.194 351 D C 2.082 178.331 176.300 -0.085 0.000 0.994 351 D CA 0.821 54.769 54.000 -0.088 0.000 0.830 351 D CB -0.336 40.407 40.800 -0.095 0.000 0.959 351 D HN 0.167 nan 8.370 nan 0.000 0.452 352 L N 1.025 122.152 121.223 -0.160 0.000 2.046 352 L HA -0.091 4.250 4.340 0.001 0.000 0.208 352 L C 2.440 179.321 176.870 0.019 0.000 1.077 352 L CA 1.270 56.010 54.840 -0.166 0.000 0.747 352 L CB -1.237 40.489 42.059 -0.555 0.000 0.896 352 L HN -0.060 nan 8.230 nan 0.000 0.432 353 A N -0.881 121.989 122.820 0.084 0.000 1.845 353 A HA -0.289 4.032 4.320 0.001 0.000 0.215 353 A C 2.266 179.922 177.584 0.120 0.000 1.195 353 A CA 1.829 53.953 52.037 0.146 0.000 0.616 353 A CB -0.762 18.308 19.000 0.117 0.000 0.832 353 A HN 0.437 nan 8.150 nan 0.000 0.443 354 Q N 0.123 119.958 119.800 0.059 0.000 2.135 354 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 354 Q C 1.860 177.936 176.000 0.127 0.000 0.981 354 Q CA 2.427 58.270 55.803 0.067 0.000 0.856 354 Q CB -0.453 28.284 28.738 -0.003 0.000 0.902 354 Q HN 0.762 nan 8.270 nan 0.000 0.425 355 E N -0.342 119.904 120.200 0.077 0.000 2.077 355 E HA -0.231 4.120 4.350 0.001 0.000 0.193 355 E C 2.078 178.731 176.600 0.089 0.000 0.989 355 E CA 0.894 57.333 56.400 0.065 0.000 0.800 355 E CB -0.147 29.564 29.700 0.018 0.000 0.746 355 E HN 0.341 nan 8.360 nan 0.000 0.452 356 R N -0.338 120.230 120.500 0.112 0.000 2.081 356 R HA -0.196 4.145 4.340 0.001 0.000 0.235 356 R C 2.263 178.635 176.300 0.119 0.000 1.131 356 R CA 1.573 57.740 56.100 0.112 0.000 0.960 356 R CB -0.471 29.916 30.300 0.145 0.000 0.856 356 R HN 0.317 nan 8.270 nan 0.000 0.436 357 Y N 0.586 120.927 120.300 0.068 0.000 2.114 357 Y HA -0.221 4.329 4.550 0.001 0.000 0.284 357 Y C 2.195 178.144 175.900 0.081 0.000 1.143 357 Y CA 2.067 60.232 58.100 0.109 0.000 1.135 357 Y CB -0.367 38.174 38.460 0.136 0.000 0.980 357 Y HN 0.179 nan 8.280 nan 0.000 0.499 358 A N -1.239 121.725 122.820 0.239 0.000 1.972 358 A HA -0.179 4.141 4.320 0.001 0.000 0.219 358 A C 2.419 179.994 177.584 -0.015 0.000 1.169 358 A CA 1.708 53.820 52.037 0.125 0.000 0.635 358 A CB -1.244 17.841 19.000 0.143 0.000 0.810 358 A HN 0.496 nan 8.150 nan 0.000 0.446 359 S N -0.572 115.114 115.700 -0.024 0.000 2.419 359 S HA -0.093 4.378 4.470 0.001 0.000 0.233 359 S C 1.757 176.266 174.600 -0.152 0.000 1.016 359 S CA 1.386 59.550 58.200 -0.060 0.000 0.974 359 S CB -0.511 62.675 63.200 -0.024 0.000 0.786 359 S HN 0.522 nan 8.310 nan 0.000 0.492 360 I N 1.134 121.532 120.570 -0.285 0.000 2.480 360 I HA 0.025 4.196 4.170 0.001 0.000 0.251 360 I C 2.704 178.419 176.117 -0.670 0.000 1.124 360 I CA 0.883 61.870 61.300 -0.521 0.000 1.444 360 I CB -0.447 37.065 38.000 -0.814 0.000 1.098 360 I HN 0.295 nan 8.210 nan 0.000 0.428 361 A N 0.935 123.431 122.820 -0.539 0.000 1.972 361 A HA -0.092 4.229 4.320 0.001 0.000 0.219 361 A C 2.496 180.005 177.584 -0.124 0.000 1.169 361 A CA 1.692 53.598 52.037 -0.218 0.000 0.635 361 A CB -0.675 18.343 19.000 0.030 0.000 0.810 361 A HN 0.414 nan 8.150 nan 0.000 0.446 362 A N -0.545 122.204 122.820 -0.119 0.000 2.015 362 A HA -0.059 4.262 4.320 0.001 0.000 0.219 362 A C 1.972 179.505 177.584 -0.085 0.000 1.163 362 A CA 1.492 53.489 52.037 -0.067 0.000 0.646 362 A CB -0.147 18.826 19.000 -0.044 0.000 0.806 362 A HN 0.352 nan 8.150 nan 0.000 0.448 363 K N 0.340 120.653 120.400 -0.144 0.000 2.323 363 K HA 0.157 4.478 4.320 0.001 0.000 0.197 363 K C 0.079 176.578 176.600 -0.169 0.000 1.043 363 K CA 0.220 56.436 56.287 -0.118 0.000 0.997 363 K CB 0.089 32.535 32.500 -0.090 0.000 0.807 363 K HN 0.303 nan 8.250 nan 0.000 0.497 364 S N 1.830 117.321 115.700 -0.350 0.000 2.439 364 S HA 0.249 4.719 4.470 0.001 0.000 0.282 364 S C -0.032 174.418 174.600 -0.250 0.000 1.170 364 S CA -0.281 57.503 58.200 -0.693 0.000 1.054 364 S CB 1.079 63.449 63.200 -1.383 0.000 0.956 364 S HN -0.000 nan 8.310 nan 0.000 0.490 365 S N 1.825 117.504 115.700 -0.035 0.000 2.608 365 S HA 0.464 4.934 4.470 0.001 0.000 0.291 365 S C 0.633 175.382 174.600 0.247 0.000 1.146 365 S CA -0.695 57.584 58.200 0.133 0.000 1.043 365 S CB 1.520 64.767 63.200 0.077 0.000 1.037 365 S HN 0.590 nan 8.310 nan 0.000 0.520 366 S N 0.930 116.756 115.700 0.210 0.000 2.952 366 S HA 0.127 4.598 4.470 0.001 0.000 0.251 366 S C 1.128 175.790 174.600 0.102 0.000 1.021 366 S CA -0.435 57.873 58.200 0.181 0.000 1.067 366 S CB 0.182 63.468 63.200 0.145 0.000 1.002 366 S HN 0.754 nan 8.310 nan 0.000 0.574 367 E N 0.606 120.859 120.200 0.089 0.000 2.358 367 E HA -0.104 4.247 4.350 0.001 0.000 0.195 367 E C 0.596 177.342 176.600 0.243 0.000 1.010 367 E CA 1.098 57.548 56.400 0.083 0.000 0.856 367 E CB 0.139 29.834 29.700 -0.009 0.000 0.795 367 E HN 0.467 nan 8.360 nan 0.000 0.504 368 H N -1.636 117.447 119.070 0.022 0.000 3.583 368 H HA 0.471 5.028 4.556 0.001 0.000 0.251 368 H C -0.516 174.816 175.328 0.006 0.000 1.060 368 H CA 0.673 56.729 56.048 0.013 0.000 1.159 368 H CB 1.371 31.141 29.762 0.014 0.000 1.496 368 H HN 0.123 nan 8.280 nan 0.000 0.540 369 A N 0.551 123.443 122.820 0.120 0.000 2.547 369 A HA 0.445 4.766 4.320 0.001 0.000 0.297 369 A C -1.460 176.147 177.584 0.040 0.000 1.056 369 A CA -0.766 51.296 52.037 0.042 0.000 0.688 369 A CB 1.015 20.026 19.000 0.019 0.000 1.282 369 A HN 0.103 nan 8.150 nan 0.000 0.400 370 L N 3.197 124.421 121.223 0.001 0.000 2.597 370 L HA 0.125 4.465 4.340 0.001 0.000 0.271 370 L C 0.529 177.395 176.870 -0.007 0.000 1.157 370 L CA 0.486 55.336 54.840 0.016 0.000 0.928 370 L CB -0.457 41.575 42.059 -0.045 0.000 1.216 370 L HN 0.742 nan 8.230 nan 0.000 0.481 371 H N 7.719 126.780 119.070 -0.015 0.000 3.004 371 H HA 0.066 4.622 4.556 0.001 0.000 0.316 371 H C -1.730 173.412 175.328 -0.308 0.000 1.014 371 H CA -1.126 54.803 56.048 -0.198 0.000 1.454 371 H CB 1.194 30.793 29.762 -0.271 0.000 1.472 371 H HN 0.544 nan 8.280 nan 0.000 0.571 372 P HA -0.219 nan 4.420 nan 0.000 0.217 372 P C 1.417 178.542 177.300 -0.290 0.000 1.151 372 P CA 1.260 64.059 63.100 -0.502 0.000 0.849 372 P CB -0.169 30.957 31.700 -0.956 0.000 0.787 373 F N -0.857 118.828 119.950 -0.441 0.000 2.186 373 F HA -0.176 4.352 4.527 0.001 0.000 0.299 373 F C 2.302 178.027 175.800 -0.125 0.000 1.090 373 F CA 1.598 59.469 58.000 -0.214 0.000 1.307 373 F CB -0.563 38.251 39.000 -0.310 0.000 1.019 373 F HN 0.012 nan 8.300 nan 0.000 0.489 374 H N -0.667 118.383 119.070 -0.033 0.000 2.321 374 H HA -0.071 4.486 4.556 0.001 0.000 0.300 374 H C 2.369 177.637 175.328 -0.100 0.000 1.087 374 H CA 0.964 56.953 56.048 -0.099 0.000 1.319 374 H CB -0.293 29.466 29.762 -0.004 0.000 1.379 374 H HN 0.356 nan 8.280 nan 0.000 0.501 375 A N 0.230 123.080 122.820 0.050 0.000 1.972 375 A HA -0.165 4.155 4.320 0.001 0.000 0.219 375 A C 2.386 180.002 177.584 0.053 0.000 1.169 375 A CA 1.646 53.707 52.037 0.040 0.000 0.635 375 A CB -0.449 18.491 19.000 -0.100 0.000 0.810 375 A HN 0.306 nan 8.150 nan 0.000 0.446 376 S N -0.520 115.157 115.700 -0.039 0.000 2.383 376 S HA -0.175 4.296 4.470 0.001 0.000 0.227 376 S C 2.041 176.601 174.600 -0.067 0.000 1.026 376 S CA 1.426 59.606 58.200 -0.033 0.000 0.981 376 S CB -0.241 62.937 63.200 -0.038 0.000 0.818 376 S HN 0.719 nan 8.310 nan 0.000 0.472 377 Q N 0.426 120.131 119.800 -0.159 0.000 2.167 377 Q HA -0.033 4.308 4.340 0.001 0.000 0.202 377 Q C 2.077 178.054 176.000 -0.038 0.000 0.970 377 Q CA 0.999 56.733 55.803 -0.114 0.000 0.855 377 Q CB -0.211 28.438 28.738 -0.150 0.000 0.911 377 Q HN 0.362 nan 8.270 nan 0.000 0.438 378 V N 0.775 120.675 119.914 -0.024 0.000 2.688 378 V HA -0.250 3.870 4.120 0.001 0.000 0.256 378 V C 1.836 177.791 176.094 -0.230 0.000 1.084 378 V CA 1.498 63.734 62.300 -0.107 0.000 1.103 378 V CB -0.495 31.292 31.823 -0.060 0.000 0.688 378 V HN 0.366 nan 8.190 nan 0.000 0.480 379 I N -0.027 120.494 120.570 -0.082 0.000 2.867 379 I HA 0.033 4.204 4.170 0.001 0.000 0.265 379 I C 2.595 178.723 176.117 0.018 0.000 1.162 379 I CA 0.928 62.191 61.300 -0.061 0.000 1.471 379 I CB -0.549 37.469 38.000 0.031 0.000 1.123 379 I HN 0.197 nan 8.210 nan 0.000 0.440 380 A N 2.520 125.354 122.820 0.022 0.000 1.858 380 A HA -0.218 4.103 4.320 0.001 0.000 0.216 380 A C 2.198 179.811 177.584 0.047 0.000 1.190 380 A CA 1.855 53.912 52.037 0.034 0.000 0.617 380 A CB -0.624 18.394 19.000 0.030 0.000 0.827 380 A HN 0.503 nan 8.150 nan 0.000 0.443 381 K N -0.932 119.509 120.400 0.067 0.000 2.574 381 K HA -0.068 4.252 4.320 0.001 0.000 0.193 381 K C 0.641 177.296 176.600 0.092 0.000 1.035 381 K CA 1.181 57.509 56.287 0.068 0.000 0.982 381 K CB -0.351 32.187 32.500 0.062 0.000 0.795 381 K HN 0.721 nan 8.250 nan 0.000 0.491 382 H N 0.282 119.318 119.070 -0.057 0.000 2.755 382 H HA 0.190 4.747 4.556 0.001 0.000 0.273 382 H C -0.512 174.788 175.328 -0.045 0.000 1.055 382 H CA -0.294 55.716 56.048 -0.063 0.000 1.191 382 H CB 1.110 30.819 29.762 -0.088 0.000 1.536 382 H HN -0.082 nan 8.280 nan 0.000 0.529 383 V N 3.103 123.052 119.914 0.059 0.000 2.370 383 V HA 0.137 4.258 4.120 0.001 0.000 0.283 383 V C -0.386 175.707 176.094 -0.003 0.000 1.023 383 V CA -0.459 61.859 62.300 0.031 0.000 0.857 383 V CB 1.469 33.314 31.823 0.036 0.000 0.985 383 V HN 0.478 nan 8.190 nan 0.000 0.443 384 D N 3.672 124.068 120.400 -0.007 0.000 2.744 384 D HA 0.583 5.223 4.640 0.001 0.000 0.304 384 D C 0.844 177.138 176.300 -0.011 0.000 1.179 384 D CA -0.137 53.852 54.000 -0.019 0.000 1.024 384 D CB 1.486 42.266 40.800 -0.032 0.000 1.453 384 D HN 0.409 nan 8.370 nan 0.000 0.529 385 A N -0.771 122.040 122.820 -0.017 0.000 2.225 385 A HA 0.211 4.532 4.320 0.001 0.000 0.215 385 A C 1.686 179.266 177.584 -0.007 0.000 1.164 385 A CA 1.390 53.420 52.037 -0.012 0.000 0.710 385 A CB -1.218 17.771 19.000 -0.017 0.000 0.780 385 A HN 0.617 nan 8.150 nan 0.000 0.473 386 G N -1.460 107.335 108.800 -0.008 0.000 3.126 386 G HA2 0.414 4.375 3.960 0.001 0.000 0.224 386 G HA3 0.414 4.375 3.960 0.001 0.000 0.224 386 G C 0.029 174.930 174.900 0.002 0.000 1.142 386 G CA 0.214 45.311 45.100 -0.005 0.000 0.759 386 G HN 0.208 nan 8.290 nan 0.000 0.550 387 V N 0.668 120.587 119.914 0.008 0.000 2.581 387 V HA 0.529 4.649 4.120 0.001 0.000 0.303 387 V C -0.254 175.856 176.094 0.027 0.000 1.041 387 V CA -0.454 61.857 62.300 0.018 0.000 0.907 387 V CB 1.948 33.787 31.823 0.026 0.000 0.994 387 V HN 0.033 nan 8.190 nan 0.000 0.442 388 T N 3.782 118.348 114.554 0.020 0.000 2.770 388 T HA 0.498 4.848 4.350 0.001 0.000 0.283 388 T C -0.425 174.281 174.700 0.010 0.000 0.988 388 T CA -0.286 61.824 62.100 0.017 0.000 0.957 388 T CB 1.283 70.147 68.868 -0.007 0.000 0.930 388 T HN 0.359 nan 8.240 nan 0.000 0.443 389 V N 4.642 124.582 119.914 0.044 0.000 2.370 389 V HA 0.407 4.528 4.120 0.001 0.000 0.279 389 V C 0.030 176.019 176.094 -0.175 0.000 1.029 389 V CA -0.744 61.571 62.300 0.024 0.000 0.870 389 V CB 1.388 33.346 31.823 0.226 0.000 0.984 389 V HN 0.659 nan 8.190 nan 0.000 0.451 390 V N 4.380 124.166 119.914 -0.213 0.000 2.398 390 V HA 0.769 4.890 4.120 0.001 0.000 0.286 390 V C 0.428 176.311 176.094 -0.353 0.000 1.026 390 V CA -0.436 61.662 62.300 -0.337 0.000 0.868 390 V CB 1.556 33.223 31.823 -0.260 0.000 0.982 390 V HN 0.968 nan 8.190 nan 0.000 0.443 391 A N 3.785 126.294 122.820 -0.518 0.000 2.318 391 A HA 0.801 5.122 4.320 0.001 0.000 0.324 391 A C -0.671 176.578 177.584 -0.558 0.000 1.170 391 A CA -0.363 51.413 52.037 -0.435 0.000 0.810 391 A CB 1.171 19.913 19.000 -0.431 0.000 1.198 391 A HN 0.768 nan 8.150 nan 0.000 0.484 392 D N 0.664 120.857 120.400 -0.345 0.000 2.610 392 D HA 0.616 5.256 4.640 0.001 0.000 0.271 392 D C -0.017 176.303 176.300 0.034 0.000 1.174 392 D CA 0.914 54.740 54.000 -0.290 0.000 0.949 392 D CB 1.989 42.676 40.800 -0.188 0.000 1.430 392 D HN 1.649 nan 8.370 nan 0.000 0.467 393 G N -0.163 108.772 108.800 0.224 0.000 2.977 393 G HA2 0.189 4.150 3.960 0.001 0.000 0.686 393 G HA3 0.189 4.150 3.960 0.001 0.000 0.686 393 G C 0.661 175.797 174.900 0.393 0.000 1.088 393 G CA 0.348 45.600 45.100 0.252 0.000 0.845 393 G HN 0.690 nan 8.290 nan 0.000 0.565 394 A N 2.653 125.662 122.820 0.315 0.000 1.825 394 A HA 0.139 4.460 4.320 0.001 0.000 0.214 394 A C 2.669 180.171 177.584 -0.137 0.000 1.206 394 A CA 1.956 54.108 52.037 0.190 0.000 0.609 394 A CB -0.474 18.594 19.000 0.114 0.000 0.851 394 A HN 1.228 nan 8.150 nan 0.000 0.445 395 L N -0.367 120.821 121.223 -0.058 0.000 2.079 395 L HA -0.186 4.155 4.340 0.001 0.000 0.210 395 L C 2.816 179.731 176.870 0.075 0.000 1.081 395 L CA 1.806 56.610 54.840 -0.059 0.000 0.752 395 L CB -0.914 41.121 42.059 -0.040 0.000 0.896 395 L HN 0.470 nan 8.230 nan 0.000 0.433 396 T N -0.347 114.261 114.554 0.091 0.000 2.580 396 T HA -0.299 4.052 4.350 0.001 0.000 0.265 396 T C 1.642 176.433 174.700 0.151 0.000 1.063 396 T CA 2.308 64.485 62.100 0.128 0.000 1.170 396 T CB -0.652 68.273 68.868 0.095 0.000 0.863 396 T HN 0.555 nan 8.240 nan 0.000 0.418 397 Y N 1.432 121.764 120.300 0.053 0.000 2.352 397 Y HA 0.178 4.729 4.550 0.001 0.000 0.292 397 Y C 1.955 177.882 175.900 0.046 0.000 1.136 397 Y CA 0.450 58.555 58.100 0.009 0.000 1.227 397 Y CB -0.891 37.495 38.460 -0.122 0.000 0.991 397 Y HN 0.136 nan 8.280 nan 0.000 0.545 398 L N -1.215 119.703 121.223 -0.509 0.000 2.056 398 L HA -0.163 4.178 4.340 0.001 0.000 0.207 398 L C 2.204 178.980 176.870 -0.156 0.000 1.078 398 L CA 1.629 56.229 54.840 -0.400 0.000 0.749 398 L CB -0.633 41.100 42.059 -0.544 0.000 0.901 398 L HN 0.351 nan 8.230 nan 0.000 0.433 399 W N -0.375 120.917 121.300 -0.014 0.000 2.407 399 W HA -0.174 4.486 4.660 0.001 0.000 0.305 399 W C 2.361 178.963 176.519 0.138 0.000 1.196 399 W CA 0.107 57.506 57.345 0.091 0.000 1.311 399 W CB -0.221 29.288 29.460 0.082 0.000 1.135 399 W HN 0.038 nan 8.180 nan 0.000 0.514 400 L N 1.034 122.463 121.223 0.344 0.000 2.191 400 L HA -0.209 4.131 4.340 0.001 0.000 0.212 400 L C 2.506 179.521 176.870 0.241 0.000 1.103 400 L CA 2.407 57.401 54.840 0.257 0.000 0.769 400 L CB -0.922 41.271 42.059 0.224 0.000 0.908 400 L HN -0.018 nan 8.230 nan 0.000 0.438 401 S N -1.896 113.955 115.700 0.252 0.000 2.406 401 S HA -0.111 4.360 4.470 0.001 0.000 0.228 401 S C 1.728 176.460 174.600 0.220 0.000 1.020 401 S CA 0.677 59.016 58.200 0.232 0.000 0.965 401 S CB -0.575 62.823 63.200 0.330 0.000 0.798 401 S HN 0.487 nan 8.310 nan 0.000 0.488 402 E N 1.300 121.666 120.200 0.276 0.000 2.401 402 E HA -0.054 4.297 4.350 0.001 0.000 0.199 402 E C 2.092 178.956 176.600 0.439 0.000 1.023 402 E CA 1.170 57.770 56.400 0.334 0.000 0.859 402 E CB -0.167 29.771 29.700 0.397 0.000 0.780 402 E HN 0.785 nan 8.360 nan 0.000 0.523 403 V N -3.772 116.353 119.914 0.351 0.000 3.048 403 V HA 0.054 4.175 4.120 0.001 0.000 0.241 403 V C 2.008 178.197 176.094 0.158 0.000 1.129 403 V CA -0.002 62.511 62.300 0.355 0.000 1.128 403 V CB -0.174 31.777 31.823 0.214 0.000 0.849 403 V HN -0.020 nan 8.190 nan 0.000 0.475 404 M N 1.670 121.312 119.600 0.069 0.000 2.426 404 M HA -0.104 4.376 4.480 0.001 0.000 0.261 404 M C 2.203 178.443 176.300 -0.099 0.000 1.068 404 M CA 1.700 56.952 55.300 -0.080 0.000 1.066 404 M CB -1.441 30.994 32.600 -0.277 0.000 1.399 404 M HN 0.587 nan 8.290 nan 0.000 0.449 405 S N 0.422 116.107 115.700 -0.025 0.000 2.402 405 S HA -0.109 4.361 4.470 0.001 0.000 0.229 405 S C 1.776 176.330 174.600 -0.077 0.000 1.021 405 S CA 1.182 59.357 58.200 -0.042 0.000 0.974 405 S CB -0.212 63.003 63.200 0.024 0.000 0.800 405 S HN 0.620 nan 8.310 nan 0.000 0.484 406 R N 1.384 121.833 120.500 -0.086 0.000 2.265 406 R HA 0.181 4.521 4.340 0.001 0.000 0.194 406 R C 0.848 177.081 176.300 -0.112 0.000 0.931 406 R CA 0.195 56.217 56.100 -0.129 0.000 1.032 406 R CB -0.551 29.619 30.300 -0.217 0.000 0.980 406 R HN 0.371 nan 8.270 nan 0.000 0.497 407 V N 0.256 120.117 119.914 -0.088 0.000 3.295 407 V HA 0.407 4.528 4.120 0.001 0.000 0.308 407 V C -0.611 175.437 176.094 -0.076 0.000 1.068 407 V CA -1.083 61.175 62.300 -0.071 0.000 1.062 407 V CB 1.287 33.084 31.823 -0.044 0.000 1.162 407 V HN 0.329 nan 8.190 nan 0.000 0.456 408 K N 0.680 121.044 120.400 -0.058 0.000 2.740 408 K HA 0.542 4.863 4.320 0.001 0.000 0.246 408 K C -3.199 173.383 176.600 -0.029 0.000 1.021 408 K CA -1.363 54.891 56.287 -0.054 0.000 1.021 408 K CB 1.768 34.234 32.500 -0.056 0.000 1.233 408 K HN 0.540 nan 8.250 nan 0.000 0.497 409 P HA 0.117 nan 4.420 nan 0.000 0.278 409 P C 0.476 177.789 177.300 0.022 0.000 1.258 409 P CA -0.230 62.884 63.100 0.022 0.000 0.811 409 P CB 1.399 33.144 31.700 0.076 0.000 1.063 410 G N 0.164 108.979 108.800 0.023 0.000 2.408 410 G HA2 0.209 4.170 3.960 0.001 0.000 0.215 410 G HA3 0.209 4.170 3.960 0.001 0.000 0.215 410 G C 0.615 175.530 174.900 0.024 0.000 1.156 410 G CA 0.457 45.566 45.100 0.014 0.000 0.793 410 G HN 0.772 nan 8.290 nan 0.000 0.535 411 G N -1.034 107.793 108.800 0.046 0.000 2.719 411 G HA2 0.495 4.456 3.960 0.001 0.000 0.298 411 G HA3 0.495 4.456 3.960 0.001 0.000 0.298 411 G C -2.046 172.934 174.900 0.134 0.000 1.433 411 G CA -0.673 44.459 45.100 0.054 0.000 1.034 411 G HN 0.081 nan 8.290 nan 0.000 0.517 412 F N 3.214 123.142 119.950 -0.036 0.000 2.553 412 F HA 0.657 5.184 4.527 0.001 0.000 0.335 412 F C -1.030 174.736 175.800 -0.056 0.000 1.148 412 F CA -1.123 56.854 58.000 -0.039 0.000 0.963 412 F CB 1.476 40.472 39.000 -0.007 0.000 1.217 412 F HN 0.285 nan 8.300 nan 0.000 0.441 413 L N 7.349 128.194 121.223 -0.630 0.000 2.372 413 L HA 0.538 4.878 4.340 0.001 0.000 0.273 413 L C -0.510 175.904 176.870 -0.760 0.000 0.989 413 L CA -0.579 53.953 54.840 -0.513 0.000 0.841 413 L CB 1.301 43.173 42.059 -0.312 0.000 1.225 413 L HN 0.673 nan 8.230 nan 0.000 0.414 414 C N 1.428 120.308 119.300 -0.699 0.000 3.119 414 C HA 0.574 5.035 4.460 0.001 0.000 0.359 414 C C 0.347 175.000 174.990 -0.561 0.000 1.486 414 C CA -0.453 58.084 59.018 -0.802 0.000 1.556 414 C CB 1.743 28.890 27.740 -0.988 0.000 2.063 414 C HN 0.720 nan 8.230 nan 0.000 0.454 415 H N 0.160 118.897 119.070 -0.554 0.000 2.852 415 H HA 0.301 4.858 4.556 0.001 0.000 0.362 415 H C 0.703 175.924 175.328 -0.179 0.000 1.122 415 H CA 1.207 57.037 56.048 -0.363 0.000 1.419 415 H CB 0.214 29.725 29.762 -0.418 0.000 1.401 415 H HN 0.877 nan 8.280 nan 0.000 0.609 416 G N 0.565 109.365 108.800 -0.001 0.000 2.890 416 G HA2 0.088 4.048 3.960 0.001 0.000 0.189 416 G HA3 0.088 4.048 3.960 0.001 0.000 0.189 416 G C 0.087 174.992 174.900 0.007 0.000 1.342 416 G CA -0.378 44.660 45.100 -0.104 0.000 1.026 416 G HN 0.521 nan 8.290 nan 0.000 0.579 417 Y N -0.307 120.013 120.300 0.033 0.000 2.352 417 Y HA 0.080 4.630 4.550 0.001 0.000 0.292 417 Y C 2.639 178.551 175.900 0.020 0.000 1.136 417 Y CA -0.159 57.960 58.100 0.032 0.000 1.227 417 Y CB -0.439 38.039 38.460 0.030 0.000 0.991 417 Y HN 0.091 nan 8.280 nan 0.000 0.545 418 L N -0.302 121.008 121.223 0.145 0.000 2.131 418 L HA -0.112 4.229 4.340 0.001 0.000 0.210 418 L C 1.677 178.536 176.870 -0.018 0.000 1.092 418 L CA 1.906 56.788 54.840 0.069 0.000 0.759 418 L CB -1.124 40.968 42.059 0.055 0.000 0.903 418 L HN 0.517 nan 8.230 nan 0.000 0.435 419 G N 0.013 108.769 108.800 -0.074 0.000 2.233 419 G HA2 -0.311 3.650 3.960 0.001 0.000 0.270 419 G HA3 -0.311 3.650 3.960 0.001 0.000 0.270 419 G C 0.518 175.162 174.900 -0.426 0.000 1.011 419 G CA 0.792 45.741 45.100 -0.253 0.000 0.762 419 G HN 0.444 nan 8.290 nan 0.000 0.511 420 S N 1.011 116.508 115.700 -0.337 0.000 2.423 420 S HA 0.488 4.958 4.470 0.001 0.000 0.302 420 S C 1.301 175.680 174.600 -0.368 0.000 1.143 420 S CA -0.557 57.474 58.200 -0.283 0.000 1.080 420 S CB -0.228 62.883 63.200 -0.148 0.000 1.081 420 S HN 0.284 nan 8.310 nan 0.000 0.522 421 M N 3.989 123.361 119.600 -0.379 0.000 2.269 421 M HA 0.188 4.668 4.480 0.001 0.000 0.350 421 M C 1.516 177.467 176.300 -0.581 0.000 1.429 421 M CA 0.772 55.914 55.300 -0.264 0.000 1.063 421 M CB -0.486 32.077 32.600 -0.061 0.000 1.841 421 M HN 0.921 nan 8.290 nan 0.000 0.455 422 G N 2.083 110.693 108.800 -0.316 0.000 2.205 422 G HA2 -0.198 3.763 3.960 0.001 0.000 0.180 422 G HA3 -0.198 3.763 3.960 0.001 0.000 0.180 422 G C 0.423 175.178 174.900 -0.242 0.000 1.004 422 G CA 0.176 45.067 45.100 -0.348 0.000 0.670 422 G HN 0.709 nan 8.290 nan 0.000 0.496 423 V N -0.495 119.223 119.914 -0.328 0.000 2.871 423 V HA 0.380 4.500 4.120 0.001 0.000 0.256 423 V C 2.539 178.386 176.094 -0.413 0.000 1.082 423 V CA 2.129 64.033 62.300 -0.660 0.000 1.105 423 V CB -0.757 30.648 31.823 -0.696 0.000 0.713 423 V HN 0.868 nan 8.190 nan 0.000 0.473 424 G N -0.321 108.327 108.800 -0.253 0.000 2.440 424 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 424 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 424 G C 1.474 176.295 174.900 -0.131 0.000 1.154 424 G CA 1.207 46.167 45.100 -0.233 0.000 0.767 424 G HN 0.549 nan 8.290 nan 0.000 0.552 425 F N 1.580 121.424 119.950 -0.177 0.000 2.075 425 F HA -0.008 4.520 4.527 0.001 0.000 0.297 425 F C 2.848 178.567 175.800 -0.135 0.000 1.113 425 F CA 1.170 59.077 58.000 -0.155 0.000 1.218 425 F CB -0.113 38.799 39.000 -0.147 0.000 0.984 425 F HN 0.208 nan 8.300 nan 0.000 0.472 426 G N -0.765 108.136 108.800 0.168 0.000 2.446 426 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 426 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 426 G C 1.531 176.445 174.900 0.024 0.000 1.168 426 G CA 1.487 46.647 45.100 0.100 0.000 0.771 426 G HN 0.352 nan 8.290 nan 0.000 0.551 427 T N 1.771 116.304 114.554 -0.035 0.000 2.720 427 T HA -0.050 4.301 4.350 0.001 0.000 0.268 427 T C 2.766 177.409 174.700 -0.095 0.000 1.037 427 T CA 1.718 63.761 62.100 -0.096 0.000 1.144 427 T CB -0.414 68.354 68.868 -0.166 0.000 0.864 427 T HN 0.402 nan 8.240 nan 0.000 0.444 428 A N 1.144 123.912 122.820 -0.086 0.000 1.873 428 A HA 0.067 4.388 4.320 0.001 0.000 0.215 428 A C 2.312 179.883 177.584 -0.022 0.000 1.186 428 A CA 1.263 53.247 52.037 -0.087 0.000 0.616 428 A CB -0.931 17.975 19.000 -0.158 0.000 0.823 428 A HN 0.470 nan 8.150 nan 0.000 0.442 429 L N -0.372 120.878 121.223 0.045 0.000 1.989 429 L HA -0.137 4.204 4.340 0.001 0.000 0.211 429 L C 2.434 179.344 176.870 0.067 0.000 1.071 429 L CA 1.934 56.826 54.840 0.088 0.000 0.749 429 L CB -0.568 41.571 42.059 0.134 0.000 0.890 429 L HN 0.390 nan 8.230 nan 0.000 0.431 430 G N -1.560 107.230 108.800 -0.017 0.000 2.509 430 G HA2 -0.150 3.811 3.960 0.001 0.000 0.218 430 G HA3 -0.150 3.811 3.960 0.001 0.000 0.218 430 G C 1.505 176.424 174.900 0.032 0.000 1.124 430 G CA 0.591 45.638 45.100 -0.087 0.000 0.776 430 G HN 0.591 nan 8.290 nan 0.000 0.547 431 A N -0.273 122.547 122.820 -0.000 0.000 1.970 431 A HA 0.055 4.376 4.320 0.001 0.000 0.216 431 A C 2.316 179.921 177.584 0.036 0.000 1.170 431 A CA 1.300 53.340 52.037 0.005 0.000 0.645 431 A CB -0.214 18.760 19.000 -0.042 0.000 0.816 431 A HN 0.275 nan 8.150 nan 0.000 0.447 432 Q N 0.190 120.017 119.800 0.045 0.000 2.084 432 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 432 Q C 0.624 176.662 176.000 0.064 0.000 0.978 432 Q CA 0.916 56.750 55.803 0.051 0.000 0.844 432 Q CB -0.582 28.190 28.738 0.057 0.000 0.898 432 Q HN 0.423 nan 8.270 nan 0.000 0.426 433 V N 0.615 120.585 119.914 0.093 0.000 2.637 433 V HA 0.226 4.347 4.120 0.001 0.000 0.296 433 V C 1.110 177.313 176.094 0.180 0.000 1.046 433 V CA 0.607 62.953 62.300 0.077 0.000 1.066 433 V CB 0.751 32.589 31.823 0.025 0.000 0.968 433 V HN 0.484 nan 8.190 nan 0.000 0.483 434 A N 2.859 125.768 122.820 0.149 0.000 3.384 434 A HA -0.193 4.127 4.320 0.001 0.000 0.260 434 A C 1.150 178.752 177.584 0.030 0.000 1.168 434 A CA 1.142 53.233 52.037 0.091 0.000 1.253 434 A CB -1.774 17.222 19.000 -0.006 0.000 1.122 434 A HN 0.789 nan 8.150 nan 0.000 0.934 435 D N -1.526 118.898 120.400 0.041 0.000 2.422 435 D HA 0.271 4.912 4.640 0.001 0.000 0.218 435 D C 1.505 177.825 176.300 0.033 0.000 1.047 435 D CA 0.689 54.705 54.000 0.025 0.000 0.885 435 D CB -0.045 40.768 40.800 0.021 0.000 1.035 435 D HN 0.377 nan 8.370 nan 0.000 0.502 436 L N 1.072 122.320 121.223 0.042 0.000 2.217 436 L HA -0.041 4.299 4.340 0.001 0.000 0.211 436 L C 2.127 179.031 176.870 0.056 0.000 1.107 436 L CA 1.285 56.152 54.840 0.045 0.000 0.783 436 L CB -0.201 41.884 42.059 0.042 0.000 0.919 436 L HN -0.107 nan 8.230 nan 0.000 0.442 437 E N -0.427 119.812 120.200 0.065 0.000 2.028 437 E HA -0.029 4.321 4.350 0.001 0.000 0.191 437 E C 1.390 178.019 176.600 0.049 0.000 0.988 437 E CA 1.060 57.509 56.400 0.080 0.000 0.799 437 E CB -0.038 29.718 29.700 0.093 0.000 0.755 437 E HN 0.449 nan 8.360 nan 0.000 0.447 438 A N -1.205 121.633 122.820 0.030 0.000 2.896 438 A HA 0.557 4.877 4.320 0.001 0.000 0.232 438 A C 1.407 179.004 177.584 0.022 0.000 1.809 438 A CA 0.131 52.179 52.037 0.019 0.000 0.855 438 A CB -0.375 18.629 19.000 0.006 0.000 1.773 438 A HN 0.312 nan 8.150 nan 0.000 0.644 439 G N -1.098 107.711 108.800 0.015 0.000 3.159 439 G HA2 0.268 4.229 3.960 0.001 0.000 0.232 439 G HA3 0.268 4.229 3.960 0.001 0.000 0.232 439 G C 0.522 175.431 174.900 0.014 0.000 1.116 439 G CA -0.369 44.741 45.100 0.016 0.000 0.767 439 G HN 0.512 nan 8.290 nan 0.000 0.547 440 R N 0.200 120.707 120.500 0.012 0.000 2.643 440 R HA 0.405 4.746 4.340 0.001 0.000 0.270 440 R C -0.032 176.276 176.300 0.014 0.000 1.061 440 R CA -0.335 55.770 56.100 0.009 0.000 1.107 440 R CB 0.692 30.995 30.300 0.005 0.000 0.999 440 R HN 0.040 nan 8.270 nan 0.000 0.460 441 R N 0.646 121.154 120.500 0.013 0.000 2.474 441 R HA 0.239 4.579 4.340 0.001 0.000 0.295 441 R C -1.083 175.225 176.300 0.013 0.000 0.980 441 R CA -0.176 55.934 56.100 0.017 0.000 0.934 441 R CB 1.495 31.805 30.300 0.017 0.000 1.101 441 R HN 0.547 nan 8.270 nan 0.000 0.469 442 T N 4.953 119.515 114.554 0.013 0.000 2.794 442 T HA 0.522 4.873 4.350 0.001 0.000 0.280 442 T C -0.052 174.643 174.700 -0.008 0.000 0.987 442 T CA -0.456 61.644 62.100 -0.001 0.000 0.993 442 T CB 0.623 69.486 68.868 -0.008 0.000 0.939 442 T HN 0.418 nan 8.240 nan 0.000 0.449 443 I N 3.367 123.926 120.570 -0.018 0.000 2.433 443 I HA 0.426 4.597 4.170 0.001 0.000 0.292 443 I C -0.889 175.190 176.117 -0.063 0.000 1.001 443 I CA -1.124 60.161 61.300 -0.025 0.000 1.119 443 I CB 1.849 39.849 38.000 -0.001 0.000 1.289 443 I HN 0.346 nan 8.210 nan 0.000 0.438 444 L N 8.338 129.503 121.223 -0.096 0.000 2.295 444 L HA 0.601 4.941 4.340 0.001 0.000 0.285 444 L C -0.812 175.992 176.870 -0.110 0.000 1.035 444 L CA -0.304 54.444 54.840 -0.153 0.000 0.806 444 L CB 1.634 43.533 42.059 -0.267 0.000 1.214 444 L HN 0.338 nan 8.230 nan 0.000 0.426 445 V N 4.559 124.410 119.914 -0.104 0.000 2.325 445 V HA 0.536 4.656 4.120 0.001 0.000 0.280 445 V C 0.095 176.142 176.094 -0.079 0.000 1.016 445 V CA -0.332 61.933 62.300 -0.059 0.000 0.818 445 V CB 0.841 32.664 31.823 0.000 0.000 1.019 445 V HN 0.906 nan 8.190 nan 0.000 0.434 446 T N 3.207 117.711 114.554 -0.084 0.000 2.916 446 T HA 0.750 5.100 4.350 0.001 0.000 0.292 446 T C 0.437 175.103 174.700 -0.057 0.000 1.055 446 T CA 0.182 62.239 62.100 -0.072 0.000 1.009 446 T CB 1.848 70.657 68.868 -0.099 0.000 1.118 446 T HN 0.830 nan 8.240 nan 0.000 0.497 447 G N 0.895 109.681 108.800 -0.023 0.000 2.599 447 G HA2 0.275 4.236 3.960 0.001 0.000 0.264 447 G HA3 0.275 4.236 3.960 0.001 0.000 0.264 447 G C 0.873 175.679 174.900 -0.156 0.000 1.200 447 G CA 0.012 45.081 45.100 -0.052 0.000 0.896 447 G HN 0.842 nan 8.290 nan 0.000 0.536 448 D N -0.560 119.691 120.400 -0.248 0.000 2.183 448 D HA -0.056 4.585 4.640 0.001 0.000 0.203 448 D C 2.071 178.094 176.300 -0.463 0.000 0.969 448 D CA 1.187 54.898 54.000 -0.482 0.000 0.842 448 D CB -0.630 39.917 40.800 -0.421 0.000 0.957 448 D HN 0.460 nan 8.370 nan 0.000 0.484 449 G N 0.368 108.891 108.800 -0.461 0.000 2.396 449 G HA2 -0.163 3.798 3.960 0.001 0.000 0.214 449 G HA3 -0.163 3.798 3.960 0.001 0.000 0.214 449 G C 1.823 176.658 174.900 -0.107 0.000 1.166 449 G CA 0.720 45.333 45.100 -0.813 0.000 0.793 449 G HN 0.318 nan 8.290 nan 0.000 0.533 450 S N -0.081 115.712 115.700 0.155 0.000 2.382 450 S HA -0.118 4.353 4.470 0.001 0.000 0.228 450 S C 2.297 177.102 174.600 0.341 0.000 1.027 450 S CA 1.042 59.461 58.200 0.366 0.000 0.991 450 S CB -0.279 63.036 63.200 0.192 0.000 0.823 450 S HN 0.150 nan 8.310 nan 0.000 0.469 451 V N 1.909 121.921 119.914 0.163 0.000 2.626 451 V HA -0.050 4.071 4.120 0.001 0.000 0.252 451 V C 2.208 178.490 176.094 0.313 0.000 1.067 451 V CA 1.732 64.161 62.300 0.216 0.000 1.081 451 V CB -0.958 30.919 31.823 0.091 0.000 0.686 451 V HN 0.561 nan 8.190 nan 0.000 0.468 452 G N -1.820 107.146 108.800 0.277 0.000 2.470 452 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 452 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 452 G C 1.263 176.292 174.900 0.215 0.000 1.121 452 G CA 0.889 46.148 45.100 0.263 0.000 0.766 452 G HN 0.561 nan 8.290 nan 0.000 0.553 453 Y N 2.090 122.511 120.300 0.202 0.000 2.070 453 Y HA -0.127 4.424 4.550 0.001 0.000 0.280 453 Y C 2.510 178.487 175.900 0.128 0.000 1.148 453 Y CA 1.875 60.081 58.100 0.177 0.000 1.125 453 Y CB 0.034 38.593 38.460 0.165 0.000 0.975 453 Y HN 0.236 nan 8.280 nan 0.000 0.492 454 S N -1.052 114.793 115.700 0.243 0.000 2.525 454 S HA 0.163 4.633 4.470 0.001 0.000 0.242 454 S C 1.007 175.430 174.600 -0.295 0.000 1.164 454 S CA -0.360 57.832 58.200 -0.014 0.000 1.154 454 S CB -0.264 62.885 63.200 -0.084 0.000 0.875 454 S HN 0.306 nan 8.310 nan 0.000 0.482 455 I N 2.733 123.285 120.570 -0.029 0.000 2.454 455 I HA 0.047 4.217 4.170 0.001 0.000 0.254 455 I C 2.105 178.121 176.117 -0.169 0.000 1.156 455 I CA 1.081 62.406 61.300 0.043 0.000 1.433 455 I CB -0.424 37.762 38.000 0.311 0.000 1.082 455 I HN 0.519 nan 8.210 nan 0.000 0.432 456 G N -0.163 108.512 108.800 -0.208 0.000 2.990 456 G HA2 -0.114 3.847 3.960 0.001 0.000 0.206 456 G HA3 -0.114 3.847 3.960 0.001 0.000 0.206 456 G C 1.200 175.730 174.900 -0.617 0.000 1.169 456 G CA 0.080 44.957 45.100 -0.372 0.000 0.819 456 G HN 0.323 nan 8.290 nan 0.000 0.517 457 E N -0.138 119.586 120.200 -0.792 0.000 2.479 457 E HA 0.105 4.455 4.350 0.001 0.000 0.193 457 E C 1.410 177.638 176.600 -0.619 0.000 1.049 457 E CA -0.260 55.653 56.400 -0.812 0.000 0.870 457 E CB -0.079 28.875 29.700 -1.242 0.000 0.944 457 E HN 0.595 nan 8.360 nan 0.000 0.492 458 F N 1.122 120.804 119.950 -0.446 0.000 2.186 458 F HA -0.162 4.366 4.527 0.001 0.000 0.299 458 F C 2.212 177.896 175.800 -0.194 0.000 1.090 458 F CA 1.000 58.898 58.000 -0.169 0.000 1.307 458 F CB 0.011 38.982 39.000 -0.048 0.000 1.019 458 F HN 0.024 nan 8.300 nan 0.000 0.489 459 D N -0.090 120.119 120.400 -0.318 0.000 2.158 459 D HA -0.169 4.472 4.640 0.001 0.000 0.197 459 D C 2.008 178.321 176.300 0.022 0.000 0.995 459 D CA 1.921 55.902 54.000 -0.032 0.000 0.846 459 D CB -0.152 40.624 40.800 -0.039 0.000 0.941 459 D HN 0.140 nan 8.370 nan 0.000 0.456 460 T N -0.227 114.299 114.554 -0.046 0.000 2.851 460 T HA -0.064 4.286 4.350 0.001 0.000 0.262 460 T C 1.821 176.556 174.700 0.057 0.000 1.043 460 T CA 0.363 62.465 62.100 0.005 0.000 1.140 460 T CB -0.272 68.578 68.868 -0.031 0.000 0.872 460 T HN 0.051 nan 8.240 nan 0.000 0.446 461 L N 1.205 122.476 121.223 0.080 0.000 2.079 461 L HA -0.048 4.293 4.340 0.001 0.000 0.210 461 L C 2.473 179.434 176.870 0.153 0.000 1.081 461 L CA 1.314 56.242 54.840 0.147 0.000 0.752 461 L CB -0.648 41.555 42.059 0.241 0.000 0.896 461 L HN 0.112 nan 8.230 nan 0.000 0.433 462 V N -0.992 119.019 119.914 0.162 0.000 2.283 462 V HA -0.224 3.897 4.120 0.001 0.000 0.243 462 V C 2.598 178.758 176.094 0.110 0.000 1.039 462 V CA 1.562 63.950 62.300 0.147 0.000 1.016 462 V CB -0.530 31.397 31.823 0.173 0.000 0.650 462 V HN 0.377 nan 8.190 nan 0.000 0.449 463 R N 0.279 120.839 120.500 0.100 0.000 2.083 463 R HA -0.154 4.187 4.340 0.001 0.000 0.237 463 R C 1.743 178.085 176.300 0.070 0.000 1.137 463 R CA 1.339 57.487 56.100 0.080 0.000 0.951 463 R CB -0.228 30.116 30.300 0.073 0.000 0.851 463 R HN 0.243 nan 8.270 nan 0.000 0.434 464 K N 0.785 121.228 120.400 0.071 0.000 2.520 464 K HA 0.071 4.392 4.320 0.001 0.000 0.205 464 K C -0.429 176.212 176.600 0.067 0.000 1.035 464 K CA 0.122 56.447 56.287 0.063 0.000 1.188 464 K CB 0.179 32.714 32.500 0.058 0.000 0.894 464 K HN 0.119 nan 8.250 nan 0.000 0.497 465 Q N 0.154 119.999 119.800 0.075 0.000 2.435 465 Q HA -0.223 4.118 4.340 0.001 0.000 0.312 465 Q C -0.966 175.083 176.000 0.081 0.000 1.333 465 Q CA 0.411 56.259 55.803 0.076 0.000 0.883 465 Q CB -1.503 27.273 28.738 0.063 0.000 1.170 465 Q HN 0.332 nan 8.270 nan 0.000 0.443 466 L N 0.560 121.841 121.223 0.095 0.000 2.262 466 L HA 0.238 4.579 4.340 0.001 0.000 0.288 466 L C -1.491 175.445 176.870 0.110 0.000 1.035 466 L CA -2.051 52.846 54.840 0.096 0.000 0.820 466 L CB 0.931 43.049 42.059 0.099 0.000 1.204 466 L HN -0.069 nan 8.230 nan 0.000 0.424 467 P HA -0.064 nan 4.420 nan 0.000 0.244 467 P C 0.128 177.487 177.300 0.097 0.000 1.211 467 P CA -0.060 63.099 63.100 0.098 0.000 0.760 467 P CB -0.085 31.662 31.700 0.079 0.000 0.961 468 L N 0.427 121.707 121.223 0.095 0.000 2.559 468 L HA 0.014 4.355 4.340 0.001 0.000 0.282 468 L C -0.045 176.878 176.870 0.088 0.000 1.232 468 L CA 0.498 55.380 54.840 0.069 0.000 0.885 468 L CB -0.353 41.735 42.059 0.048 0.000 1.131 468 L HN -0.111 nan 8.230 nan 0.000 0.498 469 I N 5.768 126.368 120.570 0.049 0.000 2.321 469 I HA 0.263 4.433 4.170 0.001 0.000 0.291 469 I C -0.598 175.529 176.117 0.017 0.000 0.998 469 I CA -0.689 60.647 61.300 0.059 0.000 1.227 469 I CB 1.481 39.498 38.000 0.029 0.000 1.368 469 I HN 0.267 nan 8.210 nan 0.000 0.466 470 V N 7.950 127.902 119.914 0.064 0.000 2.311 470 V HA 0.338 4.458 4.120 0.001 0.000 0.275 470 V C 0.237 176.366 176.094 0.058 0.000 1.022 470 V CA -0.375 61.921 62.300 -0.007 0.000 0.830 470 V CB 1.129 32.949 31.823 -0.004 0.000 1.012 470 V HN 0.488 nan 8.190 nan 0.000 0.452 471 I N 6.313 126.895 120.570 0.019 0.000 2.269 471 I HA 0.328 4.498 4.170 0.001 0.000 0.293 471 I C 0.044 176.141 176.117 -0.034 0.000 1.106 471 I CA -0.086 61.239 61.300 0.042 0.000 1.248 471 I CB 0.691 38.757 38.000 0.109 0.000 1.444 471 I HN 0.458 nan 8.210 nan 0.000 0.497 472 I N 6.685 127.232 120.570 -0.038 0.000 2.347 472 I HA 0.064 4.234 4.170 0.001 0.000 0.294 472 I C 0.375 176.405 176.117 -0.145 0.000 1.090 472 I CA -0.197 61.047 61.300 -0.094 0.000 1.314 472 I CB 0.514 38.461 38.000 -0.087 0.000 1.423 472 I HN 0.524 nan 8.210 nan 0.000 0.503 473 M N 7.275 126.791 119.600 -0.140 0.000 2.341 473 M HA 0.114 4.594 4.480 0.001 0.000 0.336 473 M C -0.057 176.159 176.300 -0.140 0.000 1.489 473 M CA 0.196 55.407 55.300 -0.148 0.000 1.278 473 M CB -0.427 32.117 32.600 -0.093 0.000 1.657 473 M HN 0.321 nan 8.290 nan 0.000 0.455 474 N N 3.233 121.847 118.700 -0.143 0.000 2.439 474 N HA 0.202 4.943 4.740 0.001 0.000 0.249 474 N C -0.548 174.917 175.510 -0.076 0.000 1.003 474 N CA -0.055 52.931 53.050 -0.106 0.000 0.942 474 N CB 0.567 39.025 38.487 -0.048 0.000 1.115 474 N HN 0.581 nan 8.380 nan 0.000 0.505 475 N N 2.686 121.349 118.700 -0.061 0.000 2.235 475 N HA 0.022 4.763 4.740 0.001 0.000 0.231 475 N C -0.371 175.135 175.510 -0.007 0.000 1.177 475 N CA -0.120 52.911 53.050 -0.031 0.000 0.874 475 N CB 0.068 38.543 38.487 -0.020 0.000 1.097 475 N HN 0.527 nan 8.380 nan 0.000 0.518 476 Q N -0.106 119.690 119.800 -0.006 0.000 2.461 476 Q HA -0.211 4.130 4.340 0.001 0.000 0.273 476 Q C -0.939 175.056 176.000 -0.009 0.000 1.163 476 Q CA 1.215 57.026 55.803 0.014 0.000 0.929 476 Q CB -2.040 26.718 28.738 0.034 0.000 1.334 476 Q HN 0.807 nan 8.270 nan 0.000 0.499 477 S N -2.876 112.789 115.700 -0.058 0.000 2.633 477 S HA 0.423 4.894 4.470 0.001 0.000 0.271 477 S C -1.188 173.357 174.600 -0.091 0.000 1.112 477 S CA -1.131 57.037 58.200 -0.053 0.000 0.828 477 S CB 0.324 63.564 63.200 0.067 0.000 1.086 477 S HN 0.319 nan 8.310 nan 0.000 0.461 478 W N 2.348 123.690 121.300 0.071 0.000 2.688 478 W HA 0.458 5.118 4.660 0.001 0.000 0.402 478 W C 1.558 178.097 176.519 0.034 0.000 1.188 478 W CA 0.222 57.603 57.345 0.060 0.000 1.561 478 W CB -0.240 29.263 29.460 0.071 0.000 1.653 478 W HN 1.071 nan 8.180 nan 0.000 0.442 479 G N 2.179 111.071 108.800 0.153 0.000 2.639 479 G HA2 -0.301 3.660 3.960 0.001 0.000 0.216 479 G HA3 -0.301 3.660 3.960 0.001 0.000 0.216 479 G C 1.690 176.521 174.900 -0.116 0.000 1.267 479 G CA 1.373 46.464 45.100 -0.016 0.000 0.801 479 G HN 0.554 nan 8.290 nan 0.000 0.592 480 A N 0.296 123.059 122.820 -0.094 0.000 1.978 480 A HA -0.044 4.277 4.320 0.001 0.000 0.220 480 A C 2.598 180.254 177.584 0.119 0.000 1.170 480 A CA 2.899 54.900 52.037 -0.060 0.000 0.636 480 A CB -1.061 17.921 19.000 -0.029 0.000 0.810 480 A HN 0.584 nan 8.150 nan 0.000 0.448 481 T N -1.548 113.088 114.554 0.136 0.000 2.821 481 T HA -0.067 4.284 4.350 0.001 0.000 0.267 481 T C 1.853 176.704 174.700 0.252 0.000 1.046 481 T CA 1.240 63.434 62.100 0.157 0.000 1.139 481 T CB -0.481 68.432 68.868 0.074 0.000 0.871 481 T HN 0.290 nan 8.240 nan 0.000 0.454 482 L N 0.162 121.537 121.223 0.255 0.000 2.093 482 L HA -0.064 4.277 4.340 0.001 0.000 0.208 482 L C 2.784 179.850 176.870 0.326 0.000 1.085 482 L CA 1.472 56.476 54.840 0.273 0.000 0.755 482 L CB -0.390 41.828 42.059 0.266 0.000 0.904 482 L HN 0.395 nan 8.230 nan 0.000 0.435 483 H N -1.824 117.336 119.070 0.150 0.000 2.389 483 H HA -0.221 4.335 4.556 0.001 0.000 0.299 483 H C 2.023 177.423 175.328 0.120 0.000 1.081 483 H CA 1.510 57.627 56.048 0.114 0.000 1.345 483 H CB -0.002 29.820 29.762 0.100 0.000 1.393 483 H HN 0.405 nan 8.280 nan 0.000 0.520 484 F N 2.176 122.225 119.950 0.165 0.000 2.095 484 F HA -0.244 4.284 4.527 0.001 0.000 0.298 484 F C 2.509 178.349 175.800 0.068 0.000 1.104 484 F CA 1.517 59.571 58.000 0.090 0.000 1.232 484 F CB -0.136 38.903 39.000 0.066 0.000 0.987 484 F HN 0.058 nan 8.300 nan 0.000 0.475 485 Q N -0.379 119.579 119.800 0.265 0.000 2.124 485 Q HA -0.253 4.087 4.340 0.001 0.000 0.202 485 Q C 2.193 178.205 176.000 0.019 0.000 0.977 485 Q CA 1.969 57.859 55.803 0.146 0.000 0.850 485 Q CB -0.228 28.616 28.738 0.178 0.000 0.901 485 Q HN 0.618 nan 8.270 nan 0.000 0.429 486 Q N -0.371 119.442 119.800 0.022 0.000 2.062 486 Q HA -0.094 4.246 4.340 0.001 0.000 0.196 486 Q C 1.855 177.811 176.000 -0.074 0.000 0.967 486 Q CA 0.751 56.541 55.803 -0.021 0.000 0.832 486 Q CB 0.160 28.885 28.738 -0.022 0.000 0.899 486 Q HN 0.212 nan 8.270 nan 0.000 0.442 487 L N -0.097 121.065 121.223 -0.102 0.000 2.179 487 L HA -0.009 4.331 4.340 0.001 0.000 0.208 487 L C 2.043 178.795 176.870 -0.198 0.000 1.096 487 L CA 1.559 56.323 54.840 -0.127 0.000 0.779 487 L CB -0.744 41.255 42.059 -0.100 0.000 0.922 487 L HN 0.148 nan 8.230 nan 0.000 0.443 488 A N -1.401 121.208 122.820 -0.351 0.000 2.030 488 A HA 0.119 4.439 4.320 0.001 0.000 0.215 488 A C 1.854 179.277 177.584 -0.268 0.000 1.164 488 A CA 1.367 53.131 52.037 -0.455 0.000 0.697 488 A CB -0.075 18.273 19.000 -1.087 0.000 0.827 488 A HN 0.221 nan 8.150 nan 0.000 0.457 489 V N -4.672 115.129 119.914 -0.189 0.000 3.350 489 V HA 0.618 4.739 4.120 0.001 0.000 0.246 489 V C 0.898 176.961 176.094 -0.052 0.000 1.363 489 V CA 0.251 62.497 62.300 -0.089 0.000 1.162 489 V CB -0.473 31.325 31.823 -0.041 0.000 0.947 489 V HN 1.177 nan 8.190 nan 0.000 0.454 490 G N 0.155 108.926 108.800 -0.047 0.000 2.350 490 G HA2 0.321 4.282 3.960 0.001 0.000 0.305 490 G HA3 0.321 4.282 3.960 0.001 0.000 0.305 490 G C -2.912 171.980 174.900 -0.013 0.000 1.479 490 G CA 0.075 45.159 45.100 -0.027 0.000 0.949 490 G HN -0.035 nan 8.290 nan 0.000 0.651 491 P HA -0.025 nan 4.420 nan 0.000 0.216 491 P C 1.268 178.575 177.300 0.013 0.000 1.153 491 P CA 1.629 64.728 63.100 -0.002 0.000 0.848 491 P CB 0.033 31.730 31.700 -0.004 0.000 0.787 492 N N -1.321 117.387 118.700 0.014 0.000 2.322 492 N HA 0.010 4.751 4.740 0.001 0.000 0.216 492 N C 0.493 176.020 175.510 0.029 0.000 1.144 492 N CA 0.048 53.111 53.050 0.022 0.000 0.830 492 N CB -0.471 38.027 38.487 0.018 0.000 1.034 492 N HN -0.063 nan 8.380 nan 0.000 0.484 493 R N 0.784 121.303 120.500 0.032 0.000 2.831 493 R HA 0.185 4.526 4.340 0.001 0.000 0.337 493 R C -0.144 176.193 176.300 0.062 0.000 1.200 493 R CA -0.318 55.806 56.100 0.041 0.000 1.088 493 R CB -0.217 30.102 30.300 0.032 0.000 1.397 493 R HN 0.267 nan 8.270 nan 0.000 0.581 494 V N -1.471 118.483 119.914 0.067 0.000 2.407 494 V HA 0.699 4.819 4.120 0.001 0.000 0.278 494 V C -0.254 175.893 176.094 0.087 0.000 1.037 494 V CA -0.232 62.122 62.300 0.090 0.000 0.900 494 V CB 1.672 33.553 31.823 0.097 0.000 0.983 494 V HN 0.131 nan 8.190 nan 0.000 0.459 495 T N 3.219 117.832 114.554 0.098 0.000 3.032 495 T HA 0.676 5.027 4.350 0.001 0.000 0.312 495 T C 0.661 175.423 174.700 0.104 0.000 1.078 495 T CA 0.144 62.298 62.100 0.090 0.000 1.028 495 T CB 1.234 70.144 68.868 0.069 0.000 1.091 495 T HN 1.928 nan 8.240 nan 0.000 0.457 496 G N 1.893 110.763 108.800 0.116 0.000 2.179 496 G HA2 -0.301 3.659 3.960 0.001 0.000 0.257 496 G HA3 -0.301 3.659 3.960 0.001 0.000 0.257 496 G C 0.587 175.627 174.900 0.234 0.000 1.010 496 G CA 1.167 46.352 45.100 0.140 0.000 0.736 496 G HN 1.269 nan 8.290 nan 0.000 0.513 497 T N -3.649 111.071 114.554 0.277 0.000 3.016 497 T HA 0.393 4.744 4.350 0.001 0.000 0.271 497 T C 0.838 175.740 174.700 0.338 0.000 0.968 497 T CA -0.171 62.177 62.100 0.414 0.000 0.891 497 T CB 0.573 69.610 68.868 0.282 0.000 1.149 497 T HN 0.455 nan 8.240 nan 0.000 0.524 498 R N 1.137 121.768 120.500 0.218 0.000 2.357 498 R HA 0.637 4.978 4.340 0.001 0.000 0.296 498 R C -0.919 175.430 176.300 0.082 0.000 1.052 498 R CA -0.393 55.784 56.100 0.127 0.000 0.988 498 R CB 1.077 31.437 30.300 0.101 0.000 1.025 498 R HN 0.276 nan 8.270 nan 0.000 0.469 499 L N 3.362 124.591 121.223 0.009 0.000 2.481 499 L HA 0.267 4.607 4.340 0.001 0.000 0.255 499 L C -0.450 176.427 176.870 0.011 0.000 1.192 499 L CA 0.004 54.826 54.840 -0.030 0.000 0.924 499 L CB 1.154 43.100 42.059 -0.187 0.000 1.179 499 L HN 0.597 nan 8.230 nan 0.000 0.491 500 E N 1.047 121.261 120.200 0.025 0.000 3.170 500 E HA 0.193 4.544 4.350 0.001 0.000 0.212 500 E C -0.002 176.606 176.600 0.013 0.000 1.143 500 E CA -0.114 56.304 56.400 0.029 0.000 1.139 500 E CB 0.814 30.532 29.700 0.031 0.000 1.346 500 E HN 0.484 nan 8.360 nan 0.000 0.432 501 N N 0.572 119.268 118.700 -0.005 0.000 3.225 501 N HA 0.060 4.800 4.740 0.001 0.000 0.250 501 N C 0.559 176.006 175.510 -0.106 0.000 0.980 501 N CA 0.583 53.606 53.050 -0.046 0.000 1.117 501 N CB 0.218 38.677 38.487 -0.047 0.000 1.488 501 N HN 0.237 nan 8.380 nan 0.000 0.833 502 G N -0.154 108.511 108.800 -0.224 0.000 2.537 502 G HA2 0.367 4.328 3.960 0.001 0.000 0.273 502 G HA3 0.367 4.328 3.960 0.001 0.000 0.273 502 G C -0.902 173.753 174.900 -0.409 0.000 1.189 502 G CA -0.272 44.610 45.100 -0.363 0.000 0.881 502 G HN 0.226 nan 8.290 nan 0.000 0.535 503 S N 0.358 115.852 115.700 -0.343 0.000 2.543 503 S HA 0.289 4.760 4.470 0.001 0.000 0.299 503 S C 0.731 175.154 174.600 -0.295 0.000 1.125 503 S CA -0.745 57.275 58.200 -0.300 0.000 1.098 503 S CB -0.253 62.724 63.200 -0.371 0.000 1.063 503 S HN 0.478 nan 8.310 nan 0.000 0.493 504 Y N 3.268 123.576 120.300 0.013 0.000 2.200 504 Y HA -0.145 4.405 4.550 0.001 0.000 0.290 504 Y C 2.646 178.576 175.900 0.049 0.000 1.137 504 Y CA 1.813 59.963 58.100 0.083 0.000 1.163 504 Y CB -0.471 38.088 38.460 0.164 0.000 0.988 504 Y HN 0.829 nan 8.280 nan 0.000 0.518 505 H N -1.874 117.301 119.070 0.175 0.000 2.491 505 H HA 0.052 4.609 4.556 0.001 0.000 0.290 505 H C 2.209 177.522 175.328 -0.024 0.000 1.050 505 H CA 1.191 57.279 56.048 0.068 0.000 1.309 505 H CB -0.874 28.948 29.762 0.100 0.000 1.392 505 H HN 0.377 nan 8.280 nan 0.000 0.554 506 G N 1.269 109.774 108.800 -0.492 0.000 2.394 506 G HA2 -0.135 3.826 3.960 0.001 0.000 0.215 506 G HA3 -0.135 3.826 3.960 0.001 0.000 0.215 506 G C 1.883 176.680 174.900 -0.171 0.000 1.165 506 G CA 0.985 45.886 45.100 -0.331 0.000 0.784 506 G HN 0.333 nan 8.290 nan 0.000 0.535 507 V N 1.754 121.603 119.914 -0.108 0.000 2.282 507 V HA -0.242 3.878 4.120 0.001 0.000 0.249 507 V C 3.351 179.506 176.094 0.102 0.000 1.057 507 V CA 2.330 64.642 62.300 0.021 0.000 1.032 507 V CB -0.866 31.038 31.823 0.135 0.000 0.645 507 V HN 0.472 nan 8.190 nan 0.000 0.447 508 A N -0.490 122.292 122.820 -0.063 0.000 1.930 508 A HA -0.056 4.265 4.320 0.001 0.000 0.217 508 A C 2.371 179.873 177.584 -0.136 0.000 1.175 508 A CA 1.919 53.724 52.037 -0.386 0.000 0.627 508 A CB -0.677 17.638 19.000 -1.142 0.000 0.815 508 A HN 0.605 nan 8.150 nan 0.000 0.443 509 A N -0.256 122.494 122.820 -0.116 0.000 1.969 509 A HA 0.243 4.564 4.320 0.001 0.000 0.218 509 A C 2.375 179.924 177.584 -0.058 0.000 1.169 509 A CA 1.679 53.667 52.037 -0.081 0.000 0.635 509 A CB -0.762 18.177 19.000 -0.101 0.000 0.810 509 A HN 1.002 nan 8.150 nan 0.000 0.445 510 A N -1.603 121.165 122.820 -0.087 0.000 2.067 510 A HA 0.105 4.426 4.320 0.001 0.000 0.219 510 A C 1.589 179.052 177.584 -0.202 0.000 1.158 510 A CA 0.984 52.922 52.037 -0.165 0.000 0.661 510 A CB -0.592 18.262 19.000 -0.243 0.000 0.801 510 A HN 0.446 nan 8.150 nan 0.000 0.452 511 F N -0.532 119.416 119.950 -0.003 0.000 2.797 511 F HA 0.327 4.855 4.527 0.001 0.000 0.302 511 F C 1.689 177.514 175.800 0.042 0.000 1.130 511 F CA 0.523 58.553 58.000 0.049 0.000 1.387 511 F CB 0.078 39.161 39.000 0.138 0.000 1.107 511 F HN 0.335 nan 8.300 nan 0.000 0.577 512 G N 0.805 109.687 108.800 0.137 0.000 2.248 512 G HA2 0.051 4.012 3.960 0.001 0.000 0.252 512 G HA3 0.051 4.012 3.960 0.001 0.000 0.252 512 G C -0.140 174.813 174.900 0.090 0.000 1.085 512 G CA -0.098 45.053 45.100 0.084 0.000 0.845 512 G HN 0.653 nan 8.290 nan 0.000 0.494 513 A N -0.400 122.455 122.820 0.058 0.000 2.380 513 A HA 0.743 5.064 4.320 0.001 0.000 0.315 513 A C -0.199 177.379 177.584 -0.009 0.000 1.101 513 A CA -0.582 51.486 52.037 0.050 0.000 0.771 513 A CB 1.069 20.110 19.000 0.068 0.000 1.287 513 A HN 0.169 nan 8.150 nan 0.000 0.436 514 D N 1.220 121.642 120.400 0.037 0.000 2.412 514 D HA 0.402 5.043 4.640 0.001 0.000 0.257 514 D C 0.406 176.692 176.300 -0.023 0.000 1.217 514 D CA 1.263 55.255 54.000 -0.013 0.000 0.897 514 D CB 0.849 41.743 40.800 0.156 0.000 1.132 514 D HN 0.691 nan 8.370 nan 0.000 0.493 515 G N 2.012 110.696 108.800 -0.193 0.000 2.487 515 G HA2 0.499 4.460 3.960 0.001 0.000 0.314 515 G HA3 0.499 4.460 3.960 0.001 0.000 0.314 515 G C -1.072 173.741 174.900 -0.144 0.000 1.267 515 G CA -0.478 44.590 45.100 -0.052 0.000 0.937 515 G HN 0.302 nan 8.290 nan 0.000 0.481 516 Y N 0.301 120.684 120.300 0.140 0.000 2.675 516 Y HA 0.681 5.231 4.550 0.001 0.000 0.328 516 Y C 0.333 176.267 175.900 0.057 0.000 1.092 516 Y CA -0.802 57.369 58.100 0.118 0.000 1.190 516 Y CB 2.301 40.835 38.460 0.124 0.000 1.350 516 Y HN 0.624 nan 8.280 nan 0.000 0.525 517 H N -0.638 118.478 119.070 0.076 0.000 2.941 517 H HA 0.762 5.319 4.556 0.001 0.000 0.344 517 H C -1.729 173.598 175.328 -0.001 0.000 1.235 517 H CA -1.210 54.758 56.048 -0.134 0.000 1.149 517 H CB 2.066 31.706 29.762 -0.204 0.000 1.885 517 H HN 0.500 nan 8.280 nan 0.000 0.558 518 V N 1.774 121.396 119.914 -0.485 0.000 2.971 518 V HA 0.225 4.346 4.120 0.001 0.000 0.281 518 V C -0.934 174.915 176.094 -0.408 0.000 1.470 518 V CA -0.029 62.097 62.300 -0.290 0.000 0.966 518 V CB 2.076 33.822 31.823 -0.128 0.000 1.156 518 V HN 1.012 nan 8.190 nan 0.000 0.441 519 D N 3.761 124.027 120.400 -0.223 0.000 2.840 519 D HA 0.338 4.978 4.640 0.001 0.000 0.277 519 D C 0.944 177.181 176.300 -0.105 0.000 1.066 519 D CA 1.414 55.312 54.000 -0.169 0.000 0.979 519 D CB 0.890 41.628 40.800 -0.103 0.000 1.157 519 D HN 0.987 nan 8.370 nan 0.000 0.466 520 S N -0.696 114.972 115.700 -0.054 0.000 2.874 520 S HA 0.351 4.822 4.470 0.001 0.000 0.318 520 S C 1.577 176.186 174.600 0.015 0.000 1.109 520 S CA -0.009 58.177 58.200 -0.023 0.000 0.878 520 S CB 0.716 63.907 63.200 -0.016 0.000 1.307 520 S HN 0.265 nan 8.310 nan 0.000 0.592 521 V N -0.765 119.156 119.914 0.011 0.000 2.287 521 V HA -0.087 4.034 4.120 0.001 0.000 0.248 521 V C 2.262 178.380 176.094 0.039 0.000 1.053 521 V CA 2.601 64.920 62.300 0.031 0.000 1.027 521 V CB -1.514 30.288 31.823 -0.034 0.000 0.646 521 V HN 0.922 nan 8.190 nan 0.000 0.447 522 E N 1.053 121.259 120.200 0.011 0.000 2.170 522 E HA -0.044 4.307 4.350 0.001 0.000 0.191 522 E C 2.188 178.798 176.600 0.017 0.000 0.981 522 E CA 1.191 57.591 56.400 0.000 0.000 0.830 522 E CB -0.241 29.454 29.700 -0.008 0.000 0.775 522 E HN 0.762 nan 8.360 nan 0.000 0.470 523 S N 0.400 116.120 115.700 0.034 0.000 2.380 523 S HA -0.207 4.264 4.470 0.001 0.000 0.229 523 S C 1.658 176.319 174.600 0.102 0.000 1.043 523 S CA 1.341 59.570 58.200 0.048 0.000 1.038 523 S CB -0.495 62.717 63.200 0.020 0.000 0.872 523 S HN 0.400 nan 8.310 nan 0.000 0.456 524 F N 2.191 122.095 119.950 -0.078 0.000 2.335 524 F HA 0.151 4.679 4.527 0.001 0.000 0.296 524 F C 2.383 178.114 175.800 -0.115 0.000 1.091 524 F CA 0.413 58.354 58.000 -0.099 0.000 1.399 524 F CB -0.850 38.084 39.000 -0.111 0.000 1.067 524 F HN 0.071 nan 8.300 nan 0.000 0.520 525 S N 0.439 116.023 115.700 -0.193 0.000 2.370 525 S HA -0.172 4.299 4.470 0.001 0.000 0.226 525 S C 2.367 176.831 174.600 -0.226 0.000 1.033 525 S CA 1.212 59.235 58.200 -0.294 0.000 1.011 525 S CB -0.770 62.347 63.200 -0.139 0.000 0.852 525 S HN 0.494 nan 8.310 nan 0.000 0.457 526 A N 1.301 124.054 122.820 -0.111 0.000 1.902 526 A HA 0.113 4.434 4.320 0.001 0.000 0.217 526 A C 2.324 179.857 177.584 -0.085 0.000 1.181 526 A CA 1.724 53.723 52.037 -0.062 0.000 0.623 526 A CB -1.003 17.998 19.000 0.001 0.000 0.818 526 A HN 0.523 nan 8.150 nan 0.000 0.443 527 A N -0.813 121.951 122.820 -0.094 0.000 1.930 527 A HA 0.067 4.388 4.320 0.001 0.000 0.217 527 A C 2.110 179.429 177.584 -0.442 0.000 1.175 527 A CA 1.651 53.576 52.037 -0.186 0.000 0.627 527 A CB -0.499 18.507 19.000 0.010 0.000 0.815 527 A HN 0.572 nan 8.150 nan 0.000 0.443 528 L N -0.263 120.666 121.223 -0.490 0.000 2.007 528 L HA 0.084 4.425 4.340 0.001 0.000 0.205 528 L C 2.673 179.342 176.870 -0.335 0.000 1.073 528 L CA 2.209 56.711 54.840 -0.565 0.000 0.744 528 L CB -1.028 40.438 42.059 -0.988 0.000 0.898 528 L HN 0.304 nan 8.230 nan 0.000 0.435 529 A N -1.019 121.667 122.820 -0.223 0.000 2.024 529 A HA -0.274 4.046 4.320 0.001 0.000 0.220 529 A C 2.208 179.704 177.584 -0.145 0.000 1.164 529 A CA 1.810 53.814 52.037 -0.056 0.000 0.643 529 A CB -0.636 18.362 19.000 -0.004 0.000 0.806 529 A HN 0.663 nan 8.150 nan 0.000 0.451 530 Q N -0.043 119.643 119.800 -0.191 0.000 1.941 530 Q HA -0.004 4.336 4.340 0.001 0.000 0.201 530 Q C 2.086 177.905 176.000 -0.302 0.000 0.982 530 Q CA 2.315 57.988 55.803 -0.218 0.000 0.839 530 Q CB -0.609 28.097 28.738 -0.054 0.000 0.904 530 Q HN 0.479 nan 8.270 nan 0.000 0.427 531 A N -0.003 122.665 122.820 -0.253 0.000 2.019 531 A HA -0.109 4.212 4.320 0.001 0.000 0.219 531 A C 2.030 179.582 177.584 -0.053 0.000 1.164 531 A CA 1.317 53.302 52.037 -0.087 0.000 0.644 531 A CB -0.696 18.111 19.000 -0.322 0.000 0.805 531 A HN 0.499 nan 8.150 nan 0.000 0.449 532 L N -0.772 120.379 121.223 -0.120 0.000 2.109 532 L HA 0.044 4.385 4.340 0.001 0.000 0.207 532 L C 2.690 179.514 176.870 -0.077 0.000 1.086 532 L CA 1.668 56.470 54.840 -0.064 0.000 0.760 532 L CB -0.442 41.595 42.059 -0.035 0.000 0.910 532 L HN 0.326 nan 8.230 nan 0.000 0.437 533 A N -1.564 121.152 122.820 -0.172 0.000 1.930 533 A HA -0.100 4.220 4.320 0.001 0.000 0.217 533 A C 1.019 178.514 177.584 -0.149 0.000 1.175 533 A CA 0.772 52.690 52.037 -0.198 0.000 0.627 533 A CB -0.773 18.053 19.000 -0.290 0.000 0.815 533 A HN 0.495 nan 8.150 nan 0.000 0.443 534 H N -1.517 117.573 119.070 0.033 0.000 2.581 534 H HA 0.252 4.808 4.556 0.001 0.000 0.369 534 H C -0.357 175.000 175.328 0.048 0.000 1.351 534 H CA 0.010 56.089 56.048 0.051 0.000 1.434 534 H CB 0.368 30.180 29.762 0.083 0.000 1.558 534 H HN 0.357 nan 8.280 nan 0.000 0.608 535 N N 0.240 119.058 118.700 0.197 0.000 2.696 535 N HA 0.183 4.923 4.740 0.001 0.000 0.308 535 N C -0.947 174.632 175.510 0.116 0.000 1.915 535 N CA -0.176 52.947 53.050 0.122 0.000 0.906 535 N CB 0.385 38.926 38.487 0.090 0.000 1.284 535 N HN 0.410 nan 8.380 nan 0.000 0.488 536 R N -0.299 120.283 120.500 0.137 0.000 2.716 536 R HA 0.419 4.760 4.340 0.001 0.000 0.271 536 R C -2.812 173.582 176.300 0.157 0.000 1.028 536 R CA -1.929 54.248 56.100 0.129 0.000 0.883 536 R CB 1.299 31.663 30.300 0.108 0.000 1.250 536 R HN 0.085 nan 8.270 nan 0.000 0.465 537 P HA -0.060 nan 4.420 nan 0.000 0.257 537 P C -1.482 175.961 177.300 0.238 0.000 1.162 537 P CA 0.638 63.871 63.100 0.221 0.000 0.762 537 P CB 0.421 32.270 31.700 0.248 0.000 0.753 538 A N 3.511 126.488 122.820 0.262 0.000 2.353 538 A HA 0.483 4.803 4.320 0.001 0.000 0.299 538 A C -0.653 177.108 177.584 0.296 0.000 1.089 538 A CA -0.530 51.683 52.037 0.295 0.000 0.736 538 A CB 0.980 20.125 19.000 0.241 0.000 1.195 538 A HN 0.610 nan 8.150 nan 0.000 0.447 539 C N 4.585 124.043 119.300 0.264 0.000 2.264 539 C HA 0.793 5.253 4.460 0.001 0.000 0.324 539 C C -0.703 174.472 174.990 0.310 0.000 1.267 539 C CA -0.527 58.623 59.018 0.220 0.000 1.618 539 C CB -1.607 26.055 27.740 -0.130 0.000 2.278 539 C HN 0.634 nan 8.230 nan 0.000 0.499 540 I N 5.951 126.683 120.570 0.270 0.000 2.404 540 I HA 0.420 4.591 4.170 0.001 0.000 0.293 540 I C 0.102 176.320 176.117 0.168 0.000 0.992 540 I CA 0.184 61.644 61.300 0.266 0.000 1.149 540 I CB 1.377 39.522 38.000 0.241 0.000 1.315 540 I HN 0.649 nan 8.210 nan 0.000 0.446 541 N N 3.993 122.781 118.700 0.147 0.000 2.456 541 N HA 0.735 5.476 4.740 0.001 0.000 0.296 541 N C -1.458 173.998 175.510 -0.090 0.000 1.102 541 N CA -0.298 52.799 53.050 0.078 0.000 0.924 541 N CB 1.553 40.141 38.487 0.168 0.000 1.186 541 N HN 0.258 nan 8.380 nan 0.000 0.492 542 V N 1.474 121.284 119.914 -0.174 0.000 2.462 542 V HA 0.566 4.687 4.120 0.001 0.000 0.288 542 V C -0.280 175.672 176.094 -0.236 0.000 1.020 542 V CA -1.278 60.823 62.300 -0.331 0.000 0.857 542 V CB 1.142 32.634 31.823 -0.551 0.000 1.013 542 V HN 0.836 nan 8.190 nan 0.000 0.431 543 A N 4.632 127.311 122.820 -0.236 0.000 2.492 543 A HA 0.676 4.997 4.320 0.001 0.000 0.254 543 A C -0.267 177.226 177.584 -0.152 0.000 1.091 543 A CA 0.089 52.039 52.037 -0.145 0.000 0.768 543 A CB 0.403 19.326 19.000 -0.129 0.000 1.028 543 A HN 0.837 nan 8.150 nan 0.000 0.498 544 V N 1.791 121.635 119.914 -0.117 0.000 2.971 544 V HA 0.599 4.720 4.120 0.001 0.000 0.309 544 V C 0.558 176.594 176.094 -0.095 0.000 1.130 544 V CA -0.441 61.783 62.300 -0.128 0.000 0.964 544 V CB 1.887 33.613 31.823 -0.162 0.000 1.029 544 V HN 1.326 nan 8.190 nan 0.000 0.427 545 A N 2.576 125.329 122.820 -0.111 0.000 2.546 545 A HA 0.339 4.660 4.320 0.001 0.000 0.243 545 A C 0.644 178.185 177.584 -0.072 0.000 1.063 545 A CA 0.353 52.336 52.037 -0.091 0.000 0.757 545 A CB 0.078 19.000 19.000 -0.131 0.000 0.991 545 A HN 1.028 nan 8.150 nan 0.000 0.503 546 L N 1.358 122.585 121.223 0.007 0.000 2.354 546 L HA 0.119 4.460 4.340 0.001 0.000 0.212 546 L C 1.436 178.432 176.870 0.210 0.000 1.091 546 L CA 1.570 56.467 54.840 0.095 0.000 0.828 546 L CB -0.372 41.750 42.059 0.104 0.000 0.973 546 L HN 0.756 nan 8.230 nan 0.000 0.461 547 D N 0.974 121.436 120.400 0.103 0.000 2.084 547 D HA -0.065 4.575 4.640 0.001 0.000 0.194 547 D C -1.309 175.052 176.300 0.101 0.000 0.990 547 D CA 0.926 54.967 54.000 0.068 0.000 0.826 547 D CB -1.916 38.899 40.800 0.024 0.000 0.971 547 D HN 0.373 nan 8.370 nan 0.000 0.453 548 P HA 0.088 nan 4.420 nan 0.000 0.267 548 P C -0.083 177.512 177.300 0.492 0.000 1.205 548 P CA 0.220 63.446 63.100 0.210 0.000 0.765 548 P CB 0.505 32.168 31.700 -0.060 0.000 0.828 549 I N 5.671 126.454 120.570 0.355 0.000 2.325 549 I HA 0.244 4.415 4.170 0.001 0.000 0.291 549 I C -1.926 174.194 176.117 0.006 0.000 1.019 549 I CA -2.546 58.890 61.300 0.226 0.000 1.302 549 I CB 0.706 38.751 38.000 0.076 0.000 1.401 549 I HN 0.154 nan 8.210 nan 0.000 0.485 550 P HA 0.116 nan 4.420 nan 0.000 0.270 550 P C -2.115 174.855 177.300 -0.550 0.000 1.223 550 P CA -1.162 61.223 63.100 -1.191 0.000 0.785 550 P CB 0.011 30.929 31.700 -1.303 0.000 0.923 551 P HA -0.128 nan 4.420 nan 0.000 0.221 551 P C 1.286 178.418 177.300 -0.281 0.000 1.150 551 P CA 1.137 64.068 63.100 -0.282 0.000 0.800 551 P CB 0.154 31.722 31.700 -0.221 0.000 0.787 552 E N -0.004 120.014 120.200 -0.303 0.000 2.152 552 E HA -0.153 4.198 4.350 0.001 0.000 0.192 552 E C 1.929 178.417 176.600 -0.187 0.000 0.983 552 E CA 1.047 57.307 56.400 -0.234 0.000 0.818 552 E CB -0.520 29.066 29.700 -0.189 0.000 0.758 552 E HN 0.244 nan 8.360 nan 0.000 0.467 553 E N -0.383 119.697 120.200 -0.200 0.000 2.007 553 E HA -0.125 4.226 4.350 0.001 0.000 0.194 553 E C 0.077 176.633 176.600 -0.074 0.000 0.999 553 E CA 0.303 56.639 56.400 -0.107 0.000 0.811 553 E CB -0.056 29.596 29.700 -0.079 0.000 0.762 553 E HN 0.130 nan 8.360 nan 0.000 0.450 554 L N 2.204 123.371 121.223 -0.092 0.000 2.653 554 L HA -0.116 4.225 4.340 0.001 0.000 0.288 554 L C 0.783 177.596 176.870 -0.095 0.000 1.243 554 L CA 0.804 55.599 54.840 -0.074 0.000 0.906 554 L CB -1.544 40.466 42.059 -0.081 0.000 1.154 554 L HN 0.330 nan 8.230 nan 0.000 0.498 555 I N 0.000 120.546 120.570 -0.040 0.000 2.984 555 I HA 0.000 4.171 4.170 0.001 0.000 0.288 555 I CA 0.000 61.291 61.300 -0.016 0.000 1.566 555 I CB 0.000 37.995 38.000 -0.009 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494