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 2vtb_1_F DATA FIRST_RESID 3 DATA SEQUENCE HIHRVPALTE EEIDSVAIKT FERYALPSSS SVKRKGKGVT ILWFRNDLRV DATA SEQUENCE LDNDALYKAW SSSDTILPVY CLDPRLFHTT HFFNFPKTGA LRGGFLMECL DATA SEQUENCE VDLRKNLMKR GLNLLIRSGK PEEILPSLAK DFGARTVFAH KETCSEEVDV DATA SEQUENCE ERLVNQGLKR VGNSTKLELI WGSTMYHKDD LPFDVFDLPD VYTQFRKSVE DATA SEQUENCE AKCSIRSSTR IPLSLGPTPS VDDWGDVPTL EKLGVEPQEV TRGMRFVGGE DATA SEQUENCE SAGVGRVFEY FWKKDLLKVY KETRNGMLGP DYSTKFSPWL AFGCISPRFI DATA SEQUENCE YEEVQRYEKE RVANNSTYWV LFELIWRDYF RFLSIKCGNS LFHLGGPRNV DATA SEQUENCE QGKWSQDQKL FESWRDAKTG YPLIDANMKE LSTTGFMSNR GRQIVCSFLV DATA SEQUENCE RDMGLDWRMG AEWFETCLLD YDPCSNYGNW TYGAGVGNDP XXXRYFSIPK DATA SEQUENCE QAQNYDPEGE YVAFWLQQLR RLXXXXXXXX XXXMYMDTVV PLKH 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.102 175.328 -0.376 0.000 0.993 3 H CA 0.000 55.956 56.048 -0.154 0.000 1.023 3 H CB 0.000 29.758 29.762 -0.007 0.000 1.292 4 I N 1.620 121.994 120.570 -0.327 0.000 2.362 4 I HA 0.283 4.452 4.170 -0.001 0.000 0.289 4 I C -0.330 175.571 176.117 -0.359 0.000 0.994 4 I CA -0.556 60.566 61.300 -0.297 0.000 1.158 4 I CB 1.108 39.046 38.000 -0.104 0.000 1.315 4 I HN 0.398 nan 8.210 nan 0.000 0.451 5 H N 5.256 124.358 119.070 0.054 0.000 2.638 5 H HA 0.435 4.990 4.556 -0.001 0.000 0.317 5 H C -0.610 174.697 175.328 -0.036 0.000 1.006 5 H CA -0.837 55.214 56.048 0.005 0.000 1.222 5 H CB 0.849 30.604 29.762 -0.013 0.000 1.419 5 H HN 0.388 nan 8.280 nan 0.000 0.489 6 R N 2.028 122.568 120.500 0.066 0.000 2.543 6 R HA 0.294 4.633 4.340 -0.001 0.000 0.277 6 R C -0.682 175.607 176.300 -0.019 0.000 1.074 6 R CA -0.376 55.737 56.100 0.023 0.000 1.076 6 R CB 0.859 31.185 30.300 0.043 0.000 0.993 6 R HN 0.308 nan 8.270 nan 0.000 0.459 7 V N 5.457 125.322 119.914 -0.081 0.000 2.376 7 V HA 0.272 4.391 4.120 -0.001 0.000 0.287 7 V C -1.887 174.361 176.094 0.258 0.000 1.015 7 V CA -2.065 60.189 62.300 -0.077 0.000 0.834 7 V CB 1.488 32.972 31.823 -0.565 0.000 1.001 7 V HN 0.736 nan 8.190 nan 0.000 0.428 8 P HA 0.218 nan 4.420 nan 0.000 0.274 8 P C 0.371 177.705 177.300 0.056 0.000 1.256 8 P CA -0.312 62.833 63.100 0.074 0.000 0.795 8 P CB 1.373 33.090 31.700 0.027 0.000 1.038 9 A N 1.297 124.142 122.820 0.042 0.000 2.238 9 A HA 0.107 4.427 4.320 -0.001 0.000 0.208 9 A C 1.199 178.811 177.584 0.047 0.000 1.177 9 A CA 0.142 52.205 52.037 0.043 0.000 0.804 9 A CB -0.993 18.029 19.000 0.038 0.000 0.823 9 A HN 0.449 nan 8.150 nan 0.000 0.482 10 L N 1.385 122.639 121.223 0.053 0.000 2.483 10 L HA 0.149 4.489 4.340 -0.001 0.000 0.276 10 L C 1.263 178.155 176.870 0.036 0.000 1.213 10 L CA -0.159 54.714 54.840 0.054 0.000 0.843 10 L CB 0.243 42.342 42.059 0.067 0.000 1.107 10 L HN 0.391 nan 8.230 nan 0.000 0.487 11 T N -1.962 112.609 114.554 0.029 0.000 2.856 11 T HA 0.058 4.408 4.350 -0.001 0.000 0.306 11 T C 1.005 175.708 174.700 0.005 0.000 1.062 11 T CA -0.800 61.310 62.100 0.016 0.000 1.083 11 T CB 0.975 69.850 68.868 0.012 0.000 0.984 11 T HN 0.547 nan 8.240 nan 0.000 0.542 12 E N 1.287 121.487 120.200 -0.000 0.000 2.209 12 E HA -0.149 4.201 4.350 -0.001 0.000 0.196 12 E C 1.893 178.479 176.600 -0.023 0.000 0.993 12 E CA 1.327 57.720 56.400 -0.012 0.000 0.819 12 E CB -0.161 29.532 29.700 -0.012 0.000 0.745 12 E HN 0.791 nan 8.360 nan 0.000 0.477 13 E N 0.855 121.044 120.200 -0.019 0.000 2.047 13 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 13 E C 1.993 178.571 176.600 -0.037 0.000 0.987 13 E CA 0.981 57.365 56.400 -0.026 0.000 0.799 13 E CB -0.135 29.555 29.700 -0.018 0.000 0.752 13 E HN 0.343 nan 8.360 nan 0.000 0.449 14 E N 0.258 120.443 120.200 -0.024 0.000 2.110 14 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 14 E C 2.057 178.619 176.600 -0.064 0.000 0.988 14 E CA 0.765 57.148 56.400 -0.029 0.000 0.804 14 E CB -0.124 29.587 29.700 0.018 0.000 0.745 14 E HN 0.249 nan 8.360 nan 0.000 0.458 15 I N 1.507 122.045 120.570 -0.052 0.000 2.163 15 I HA -0.282 3.888 4.170 -0.001 0.000 0.243 15 I C 1.789 177.831 176.117 -0.125 0.000 1.085 15 I CA 1.098 62.348 61.300 -0.083 0.000 1.347 15 I CB -0.216 37.750 38.000 -0.056 0.000 1.044 15 I HN 0.056 nan 8.210 nan 0.000 0.408 16 D N 0.452 120.794 120.400 -0.097 0.000 2.117 16 D HA -0.143 4.497 4.640 -0.001 0.000 0.197 16 D C 2.405 178.625 176.300 -0.133 0.000 0.987 16 D CA 1.823 55.763 54.000 -0.099 0.000 0.829 16 D CB -0.209 40.553 40.800 -0.062 0.000 0.961 16 D HN 0.374 nan 8.370 nan 0.000 0.460 17 S N 0.071 115.689 115.700 -0.135 0.000 2.355 17 S HA -0.102 4.368 4.470 -0.001 0.000 0.222 17 S C 2.304 176.757 174.600 -0.244 0.000 1.031 17 S CA 0.844 58.949 58.200 -0.159 0.000 0.993 17 S CB -0.792 62.328 63.200 -0.134 0.000 0.859 17 S HN 0.082 nan 8.310 nan 0.000 0.453 18 V N 2.964 122.695 119.914 -0.305 0.000 2.324 18 V HA -0.200 3.920 4.120 -0.001 0.000 0.250 18 V C 3.157 178.998 176.094 -0.423 0.000 1.060 18 V CA 1.866 63.900 62.300 -0.443 0.000 1.042 18 V CB -1.580 29.963 31.823 -0.468 0.000 0.650 18 V HN 0.681 nan 8.190 nan 0.000 0.450 19 A N -0.269 122.295 122.820 -0.426 0.000 1.902 19 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 19 A C 2.182 179.280 177.584 -0.810 0.000 1.181 19 A CA 1.964 53.579 52.037 -0.703 0.000 0.623 19 A CB -0.542 18.126 19.000 -0.554 0.000 0.818 19 A HN 0.513 nan 8.150 nan 0.000 0.443 20 I N -0.509 119.840 120.570 -0.369 0.000 2.226 20 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 20 I C 2.416 178.443 176.117 -0.150 0.000 1.100 20 I CA 1.682 62.891 61.300 -0.152 0.000 1.374 20 I CB -0.248 37.707 38.000 -0.075 0.000 1.057 20 I HN 0.291 nan 8.210 nan 0.000 0.413 21 K N -0.011 120.262 120.400 -0.211 0.000 2.148 21 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 21 K C 2.057 178.572 176.600 -0.143 0.000 1.050 21 K CA 1.627 57.809 56.287 -0.176 0.000 0.942 21 K CB -0.223 32.139 32.500 -0.231 0.000 0.724 21 K HN 0.321 nan 8.250 nan 0.000 0.446 22 T N 0.984 115.412 114.554 -0.211 0.000 2.701 22 T HA -0.063 4.287 4.350 -0.001 0.000 0.263 22 T C 1.621 176.393 174.700 0.119 0.000 1.040 22 T CA 1.158 63.225 62.100 -0.055 0.000 1.147 22 T CB -0.360 68.379 68.868 -0.214 0.000 0.865 22 T HN 0.159 nan 8.240 nan 0.000 0.426 23 F N 1.534 121.497 119.950 0.020 0.000 2.126 23 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 23 F C 2.681 178.496 175.800 0.025 0.000 1.096 23 F CA 0.810 58.816 58.000 0.011 0.000 1.255 23 F CB -0.303 38.668 39.000 -0.049 0.000 0.997 23 F HN 0.230 nan 8.300 nan 0.000 0.479 24 E N 0.111 120.411 120.200 0.165 0.000 2.107 24 E HA -0.200 4.150 4.350 -0.001 0.000 0.191 24 E C 2.174 178.789 176.600 0.024 0.000 0.982 24 E CA 0.516 56.957 56.400 0.069 0.000 0.809 24 E CB -0.199 29.510 29.700 0.016 0.000 0.756 24 E HN 0.324 nan 8.360 nan 0.000 0.459 25 R N 0.252 120.749 120.500 -0.004 0.000 2.091 25 R HA -0.175 4.165 4.340 -0.001 0.000 0.238 25 R C 1.199 177.379 176.300 -0.201 0.000 1.136 25 R CA 1.515 57.528 56.100 -0.145 0.000 0.959 25 R CB -0.107 30.052 30.300 -0.235 0.000 0.856 25 R HN 0.214 nan 8.270 nan 0.000 0.437 26 Y N 0.031 120.374 120.300 0.072 0.000 2.457 26 Y HA 0.380 4.930 4.550 -0.001 0.000 0.263 26 Y C 0.712 176.641 175.900 0.049 0.000 1.164 26 Y CA -0.105 58.044 58.100 0.081 0.000 1.274 26 Y CB 0.363 38.903 38.460 0.133 0.000 1.097 26 Y HN 0.144 nan 8.280 nan 0.000 0.523 27 A N 0.988 123.892 122.820 0.140 0.000 2.483 27 A HA 0.144 4.464 4.320 -0.001 0.000 0.238 27 A C -0.044 177.564 177.584 0.040 0.000 1.070 27 A CA -0.404 51.672 52.037 0.066 0.000 0.770 27 A CB -0.000 19.020 19.000 0.034 0.000 1.008 27 A HN 0.429 nan 8.150 nan 0.000 0.497 28 L N 4.586 125.817 121.223 0.013 0.000 2.369 28 L HA 0.250 4.589 4.340 -0.001 0.000 0.279 28 L C -1.701 175.180 176.870 0.018 0.000 1.108 28 L CA -1.935 52.917 54.840 0.022 0.000 0.852 28 L CB 0.960 43.032 42.059 0.023 0.000 1.169 28 L HN 0.492 nan 8.230 nan 0.000 0.452 29 P HA 0.019 nan 4.420 nan 0.000 0.268 29 P C 0.036 177.358 177.300 0.037 0.000 1.282 29 P CA 0.504 63.618 63.100 0.023 0.000 0.880 29 P CB 0.912 32.625 31.700 0.021 0.000 0.971 30 S N 3.642 119.361 115.700 0.033 0.000 3.538 30 S HA -0.147 4.322 4.470 -0.001 0.000 0.640 30 S C -0.135 174.520 174.600 0.092 0.000 2.388 30 S CA 0.809 59.040 58.200 0.052 0.000 2.560 30 S CB -1.418 61.812 63.200 0.050 0.000 0.328 30 S HN 1.059 nan 8.310 nan 0.000 1.791 31 S N -0.579 115.199 115.700 0.129 0.000 2.856 31 S HA 0.413 4.883 4.470 -0.001 0.000 0.140 31 S C -0.139 174.570 174.600 0.181 0.000 0.931 31 S CA 0.378 58.705 58.200 0.211 0.000 0.993 31 S CB 0.059 63.489 63.200 0.384 0.000 1.688 31 S HN 1.949 nan 8.310 nan 0.000 0.529 32 S N 0.439 116.207 115.700 0.112 0.000 2.557 32 S HA 0.173 4.642 4.470 -0.001 0.000 0.223 32 S C 1.520 176.153 174.600 0.055 0.000 0.969 32 S CA 0.346 58.590 58.200 0.073 0.000 0.927 32 S CB -0.108 63.124 63.200 0.054 0.000 0.806 32 S HN 0.881 nan 8.310 nan 0.000 0.489 33 S N 1.260 117.004 115.700 0.074 0.000 2.355 33 S HA 0.145 4.615 4.470 -0.001 0.000 0.216 33 S C 0.797 175.418 174.600 0.035 0.000 1.037 33 S CA 0.426 58.661 58.200 0.058 0.000 0.955 33 S CB -1.047 62.201 63.200 0.079 0.000 0.877 33 S HN 0.457 nan 8.310 nan 0.000 0.488 34 V N 5.880 125.822 119.914 0.046 0.000 2.425 34 V HA 0.209 4.329 4.120 -0.001 0.000 0.276 34 V C 0.285 176.299 176.094 -0.134 0.000 1.017 34 V CA -0.717 61.561 62.300 -0.036 0.000 1.062 34 V CB -0.372 31.425 31.823 -0.044 0.000 0.997 34 V HN 0.552 nan 8.190 nan 0.000 0.476 35 K N 7.269 127.601 120.400 -0.114 0.000 2.350 35 K HA 0.252 4.571 4.320 -0.001 0.000 0.279 35 K C 0.077 176.555 176.600 -0.203 0.000 1.027 35 K CA -0.035 56.178 56.287 -0.123 0.000 0.969 35 K CB 1.060 33.516 32.500 -0.074 0.000 0.954 35 K HN 0.770 nan 8.250 nan 0.000 0.474 36 R N 1.267 121.645 120.500 -0.203 0.000 2.435 36 R HA 0.061 4.401 4.340 -0.001 0.000 0.221 36 R C 0.223 176.433 176.300 -0.150 0.000 0.885 36 R CA -0.308 55.641 56.100 -0.252 0.000 1.018 36 R CB 0.407 30.502 30.300 -0.342 0.000 1.259 36 R HN 0.628 nan 8.270 nan 0.000 0.597 37 K N 0.979 121.319 120.400 -0.099 0.000 2.448 37 K HA 0.009 4.329 4.320 -0.001 0.000 0.278 37 K C 0.677 177.247 176.600 -0.050 0.000 1.009 37 K CA 1.258 57.509 56.287 -0.060 0.000 0.995 37 K CB 0.379 32.855 32.500 -0.040 0.000 0.917 37 K HN 0.299 nan 8.250 nan 0.000 0.481 38 G N 3.320 112.099 108.800 -0.035 0.000 2.168 38 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.263 38 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.263 38 G C 0.590 175.476 174.900 -0.024 0.000 0.977 38 G CA 0.714 45.800 45.100 -0.023 0.000 0.659 38 G HN 0.753 nan 8.290 nan 0.000 0.533 39 K N 0.413 120.789 120.400 -0.039 0.000 2.418 39 K HA 0.384 4.704 4.320 -0.001 0.000 0.195 39 K C 1.642 178.234 176.600 -0.012 0.000 1.035 39 K CA 0.609 56.874 56.287 -0.036 0.000 1.003 39 K CB 0.138 32.593 32.500 -0.075 0.000 0.793 39 K HN 1.445 nan 8.250 nan 0.000 0.494 40 G N 0.851 109.648 108.800 -0.006 0.000 2.698 40 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.225 40 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.225 40 G C -0.537 174.381 174.900 0.030 0.000 1.345 40 G CA -0.716 44.394 45.100 0.018 0.000 0.871 40 G HN -0.029 nan 8.290 nan 0.000 0.540 41 V N 0.318 120.263 119.914 0.053 0.000 2.567 41 V HA 0.725 4.844 4.120 -0.001 0.000 0.289 41 V C 0.920 177.062 176.094 0.080 0.000 1.049 41 V CA 0.599 62.940 62.300 0.068 0.000 0.969 41 V CB 1.408 33.288 31.823 0.095 0.000 0.995 41 V HN 1.257 nan 8.190 nan 0.000 0.471 42 T N 4.645 119.255 114.554 0.093 0.000 2.906 42 T HA 0.694 5.044 4.350 -0.001 0.000 0.295 42 T C -0.937 173.839 174.700 0.126 0.000 1.061 42 T CA -0.470 61.716 62.100 0.142 0.000 1.000 42 T CB 1.184 70.200 68.868 0.248 0.000 1.103 42 T HN 0.423 nan 8.240 nan 0.000 0.486 43 I N 3.810 124.464 120.570 0.141 0.000 2.377 43 I HA 0.442 4.612 4.170 -0.001 0.000 0.293 43 I C -0.812 175.422 176.117 0.195 0.000 0.987 43 I CA -1.003 60.374 61.300 0.128 0.000 1.185 43 I CB 1.771 39.823 38.000 0.087 0.000 1.341 43 I HN 0.393 nan 8.210 nan 0.000 0.455 44 L N 7.752 129.078 121.223 0.171 0.000 2.262 44 L HA 0.363 4.702 4.340 -0.001 0.000 0.288 44 L C -1.108 175.853 176.870 0.151 0.000 1.035 44 L CA -0.161 54.742 54.840 0.104 0.000 0.820 44 L CB 0.658 42.700 42.059 -0.029 0.000 1.204 44 L HN 0.579 nan 8.230 nan 0.000 0.424 45 W N 7.300 128.571 121.300 -0.048 0.000 2.311 45 W HA 0.403 5.063 4.660 -0.000 0.000 0.317 45 W C -1.344 175.170 176.519 -0.008 0.000 1.065 45 W CA -1.601 55.756 57.345 0.019 0.000 1.364 45 W CB 0.118 29.591 29.460 0.022 0.000 1.233 45 W HN 0.346 nan 8.180 nan 0.000 0.409 46 F N 6.475 126.576 119.950 0.252 0.000 2.412 46 F HA 0.376 4.903 4.527 -0.001 0.000 0.348 46 F C 1.315 177.162 175.800 0.077 0.000 1.102 46 F CA 0.149 58.243 58.000 0.156 0.000 1.196 46 F CB 1.026 40.212 39.000 0.310 0.000 1.144 46 F HN 0.388 nan 8.300 nan 0.000 0.541 47 R N 0.936 121.542 120.500 0.176 0.000 2.420 47 R HA 0.248 4.588 4.340 -0.001 0.000 0.126 47 R C -0.068 176.395 176.300 0.272 0.000 1.871 47 R CA -0.517 55.664 56.100 0.134 0.000 1.558 47 R CB 0.059 30.229 30.300 -0.216 0.000 1.338 47 R HN 0.349 nan 8.270 nan 0.000 0.471 48 N N 2.084 120.849 118.700 0.108 0.000 2.635 48 N HA 0.077 4.817 4.740 -0.001 0.000 0.307 48 N C -1.326 174.231 175.510 0.078 0.000 1.433 48 N CA 0.251 53.355 53.050 0.090 0.000 0.973 48 N CB 0.938 39.385 38.487 -0.067 0.000 1.304 48 N HN 0.364 nan 8.380 nan 0.000 0.507 49 D N -0.529 119.985 120.400 0.191 0.000 2.992 49 D HA 0.056 4.696 4.640 -0.001 0.000 0.372 49 D C 0.048 176.560 176.300 0.353 0.000 1.374 49 D CA -0.271 53.844 54.000 0.192 0.000 0.769 49 D CB -0.606 40.319 40.800 0.208 0.000 1.215 49 D HN 0.082 nan 8.370 nan 0.000 0.473 50 L N 1.641 123.020 121.223 0.260 0.000 2.437 50 L HA 0.311 4.651 4.340 -0.001 0.000 0.243 50 L C 0.507 177.409 176.870 0.053 0.000 1.346 50 L CA -0.029 54.882 54.840 0.117 0.000 1.233 50 L CB -0.708 41.375 42.059 0.041 0.000 1.436 50 L HN 0.169 nan 8.230 nan 0.000 0.416 51 R N -0.959 119.619 120.500 0.129 0.000 2.710 51 R HA 0.508 4.848 4.340 -0.001 0.000 0.270 51 R C -0.589 175.768 176.300 0.095 0.000 1.021 51 R CA -0.986 55.149 56.100 0.058 0.000 0.889 51 R CB 1.456 31.780 30.300 0.039 0.000 1.243 51 R HN -0.147 nan 8.270 nan 0.000 0.464 52 V N 0.891 120.785 119.914 -0.033 0.000 2.575 52 V HA 0.127 4.246 4.120 -0.001 0.000 0.242 52 V C 1.204 177.249 176.094 -0.081 0.000 1.045 52 V CA 0.390 62.644 62.300 -0.077 0.000 1.065 52 V CB -0.214 31.446 31.823 -0.271 0.000 0.717 52 V HN 0.505 nan 8.190 nan 0.000 0.467 53 L N 1.491 122.653 121.223 -0.101 0.000 2.485 53 L HA 0.074 4.413 4.340 -0.001 0.000 0.275 53 L C 0.870 177.704 176.870 -0.061 0.000 1.207 53 L CA 0.535 55.318 54.840 -0.094 0.000 0.855 53 L CB -0.280 41.676 42.059 -0.172 0.000 1.114 53 L HN 0.381 nan 8.230 nan 0.000 0.485 54 D N 1.835 122.215 120.400 -0.035 0.000 2.686 54 D HA -0.249 4.390 4.640 -0.001 0.000 0.235 54 D C -0.382 175.949 176.300 0.051 0.000 1.160 54 D CA 0.592 54.596 54.000 0.006 0.000 0.645 54 D CB -0.691 40.107 40.800 -0.003 0.000 1.039 54 D HN 0.517 nan 8.370 nan 0.000 0.423 55 N N 0.835 119.580 118.700 0.075 0.000 2.564 55 N HA 0.156 4.896 4.740 -0.001 0.000 0.248 55 N C 0.251 175.844 175.510 0.139 0.000 0.986 55 N CA -0.514 52.623 53.050 0.145 0.000 0.921 55 N CB 1.156 39.724 38.487 0.134 0.000 1.136 55 N HN -0.036 nan 8.380 nan 0.000 0.509 56 D N 2.304 122.811 120.400 0.178 0.000 2.219 56 D HA -0.052 4.588 4.640 -0.001 0.000 0.205 56 D C 1.564 177.877 176.300 0.021 0.000 0.970 56 D CA 0.767 54.850 54.000 0.139 0.000 0.851 56 D CB 0.241 41.157 40.800 0.194 0.000 0.943 56 D HN 0.677 nan 8.370 nan 0.000 0.488 57 A N 0.838 123.556 122.820 -0.170 0.000 1.877 57 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 57 A C 2.134 179.583 177.584 -0.224 0.000 1.186 57 A CA 1.007 52.858 52.037 -0.309 0.000 0.620 57 A CB -0.718 17.912 19.000 -0.616 0.000 0.822 57 A HN 0.252 nan 8.150 nan 0.000 0.443 58 L N -1.690 119.453 121.223 -0.134 0.000 2.046 58 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 58 L C 2.279 179.141 176.870 -0.013 0.000 1.077 58 L CA 2.328 57.122 54.840 -0.076 0.000 0.747 58 L CB -1.055 40.997 42.059 -0.010 0.000 0.896 58 L HN 0.515 nan 8.230 nan 0.000 0.432 59 Y N 0.431 120.698 120.300 -0.055 0.000 2.145 59 Y HA -0.283 4.267 4.550 -0.001 0.000 0.286 59 Y C 2.509 178.419 175.900 0.017 0.000 1.145 59 Y CA 2.261 60.382 58.100 0.035 0.000 1.148 59 Y CB -0.103 38.377 38.460 0.034 0.000 0.981 59 Y HN 0.182 nan 8.280 nan 0.000 0.507 60 K N -0.268 120.098 120.400 -0.057 0.000 2.057 60 K HA -0.156 4.163 4.320 -0.001 0.000 0.207 60 K C 2.356 178.495 176.600 -0.768 0.000 1.049 60 K CA 1.093 57.181 56.287 -0.332 0.000 0.931 60 K CB -0.434 31.865 32.500 -0.336 0.000 0.714 60 K HN 0.390 nan 8.250 nan 0.000 0.440 61 A N 0.882 123.132 122.820 -0.951 0.000 1.883 61 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 61 A C 1.958 179.393 177.584 -0.249 0.000 1.186 61 A CA 1.587 53.191 52.037 -0.722 0.000 0.624 61 A CB -0.941 17.879 19.000 -0.300 0.000 0.822 61 A HN 0.625 nan 8.150 nan 0.000 0.444 62 W N 1.732 122.821 121.300 -0.352 0.000 2.379 62 W HA -0.198 4.461 4.660 -0.001 0.000 0.307 62 W C 2.566 178.902 176.519 -0.305 0.000 1.200 62 W CA 2.540 59.717 57.345 -0.279 0.000 1.297 62 W CB -0.378 28.908 29.460 -0.290 0.000 1.140 62 W HN 0.396 nan 8.180 nan 0.000 0.507 63 S N -0.576 114.836 115.700 -0.481 0.000 2.515 63 S HA -0.098 4.372 4.470 -0.001 0.000 0.231 63 S C 1.529 175.890 174.600 -0.399 0.000 0.987 63 S CA 0.955 58.773 58.200 -0.636 0.000 0.936 63 S CB -0.907 62.005 63.200 -0.480 0.000 0.766 63 S HN 0.280 nan 8.310 nan 0.000 0.528 64 S N 0.691 116.222 115.700 -0.282 0.000 2.568 64 S HA 0.424 4.893 4.470 -0.001 0.000 0.232 64 S C 0.407 174.957 174.600 -0.085 0.000 0.975 64 S CA -0.065 58.065 58.200 -0.118 0.000 0.949 64 S CB -0.181 63.040 63.200 0.035 0.000 0.829 64 S HN 0.673 nan 8.310 nan 0.000 0.479 65 S N 0.737 116.331 115.700 -0.176 0.000 2.685 65 S HA 0.584 5.054 4.470 -0.001 0.000 0.282 65 S C -0.548 173.946 174.600 -0.176 0.000 1.159 65 S CA -0.232 57.902 58.200 -0.110 0.000 0.833 65 S CB 1.395 64.574 63.200 -0.036 0.000 1.151 65 S HN 0.191 nan 8.310 nan 0.000 0.485 66 D N -0.830 119.513 120.400 -0.096 0.000 2.417 66 D HA 0.256 4.895 4.640 -0.001 0.000 0.207 66 D C 0.028 176.312 176.300 -0.026 0.000 1.075 66 D CA 0.165 54.114 54.000 -0.086 0.000 0.851 66 D CB 0.340 41.108 40.800 -0.054 0.000 0.976 66 D HN 0.503 nan 8.370 nan 0.000 0.505 67 T N 0.208 114.764 114.554 0.004 0.000 2.993 67 T HA 0.536 4.886 4.350 -0.001 0.000 0.312 67 T C -0.801 173.935 174.700 0.059 0.000 1.115 67 T CA -0.589 61.538 62.100 0.046 0.000 1.027 67 T CB 1.913 70.815 68.868 0.057 0.000 1.116 67 T HN 0.002 nan 8.240 nan 0.000 0.464 68 I N 2.843 123.463 120.570 0.084 0.000 2.465 68 I HA 0.483 4.652 4.170 -0.001 0.000 0.291 68 I C -1.070 175.102 176.117 0.092 0.000 1.014 68 I CA -1.085 60.271 61.300 0.094 0.000 1.093 68 I CB 2.066 40.140 38.000 0.123 0.000 1.267 68 I HN 0.333 nan 8.210 nan 0.000 0.431 69 L N 9.354 130.616 121.223 0.064 0.000 2.335 69 L HA 0.590 4.929 4.340 -0.001 0.000 0.268 69 L C -2.609 174.349 176.870 0.146 0.000 1.037 69 L CA -1.960 52.912 54.840 0.053 0.000 0.895 69 L CB 0.519 42.475 42.059 -0.173 0.000 1.266 69 L HN 0.217 nan 8.230 nan 0.000 0.439 70 P HA 0.303 nan 4.420 nan 0.000 0.282 70 P C -1.183 176.345 177.300 0.379 0.000 1.262 70 P CA -0.109 63.190 63.100 0.333 0.000 0.773 70 P CB 1.360 33.291 31.700 0.385 0.000 0.879 71 V N 4.322 124.500 119.914 0.440 0.000 2.789 71 V HA 0.421 4.541 4.120 -0.001 0.000 0.311 71 V C -1.057 175.373 176.094 0.561 0.000 1.073 71 V CA -0.729 61.814 62.300 0.405 0.000 0.921 71 V CB 2.022 33.999 31.823 0.257 0.000 1.009 71 V HN 0.413 nan 8.190 nan 0.000 0.426 72 Y N 2.932 123.434 120.300 0.337 0.000 2.376 72 Y HA 0.615 5.165 4.550 -0.001 0.000 0.340 72 Y C -0.335 175.723 175.900 0.264 0.000 0.965 72 Y CA -0.650 57.656 58.100 0.343 0.000 1.078 72 Y CB 1.617 40.218 38.460 0.235 0.000 1.193 72 Y HN 0.697 nan 8.280 nan 0.000 0.452 73 C N 7.502 126.602 119.300 -0.333 0.000 2.255 73 C HA 0.350 4.810 4.460 -0.001 0.000 0.326 73 C C -0.102 174.669 174.990 -0.365 0.000 1.258 73 C CA -1.063 57.826 59.018 -0.216 0.000 1.676 73 C CB -0.359 27.304 27.740 -0.128 0.000 2.314 73 C HN 0.770 nan 8.230 nan 0.000 0.509 74 L N 4.525 125.763 121.223 0.026 0.000 2.454 74 L HA 0.198 4.538 4.340 -0.001 0.000 0.284 74 L C 0.316 177.267 176.870 0.135 0.000 1.139 74 L CA 0.759 55.729 54.840 0.217 0.000 0.911 74 L CB -0.406 41.812 42.059 0.266 0.000 1.262 74 L HN 0.609 nan 8.230 nan 0.000 0.453 75 D N 6.990 127.470 120.400 0.133 0.000 2.371 75 D HA 0.107 4.747 4.640 -0.001 0.000 0.256 75 D C -1.565 174.811 176.300 0.127 0.000 1.193 75 D CA -1.737 52.321 54.000 0.096 0.000 0.881 75 D CB 1.653 42.502 40.800 0.081 0.000 1.143 75 D HN 0.359 nan 8.370 nan 0.000 0.473 76 P HA -0.107 nan 4.420 nan 0.000 0.220 76 P C 1.014 178.087 177.300 -0.378 0.000 1.148 76 P CA 0.746 63.814 63.100 -0.053 0.000 0.803 76 P CB 0.364 32.045 31.700 -0.031 0.000 0.782 77 R N -0.831 119.513 120.500 -0.260 0.000 2.189 77 R HA -0.028 4.312 4.340 -0.001 0.000 0.223 77 R C 2.165 178.365 176.300 -0.166 0.000 1.092 77 R CA 0.409 56.352 56.100 -0.262 0.000 0.989 77 R CB -0.854 29.448 30.300 0.003 0.000 0.876 77 R HN 0.144 nan 8.270 nan 0.000 0.457 78 L N -0.391 120.774 121.223 -0.096 0.000 2.362 78 L HA -0.029 4.311 4.340 -0.001 0.000 0.219 78 L C 0.507 177.093 176.870 -0.473 0.000 1.134 78 L CA 1.623 56.333 54.840 -0.216 0.000 0.807 78 L CB 0.121 42.076 42.059 -0.174 0.000 0.927 78 L HN 0.028 nan 8.230 nan 0.000 0.447 79 F N -2.451 117.439 119.950 -0.099 0.000 2.791 79 F HA 0.260 4.786 4.527 -0.000 0.000 0.308 79 F C 1.318 177.131 175.800 0.022 0.000 1.138 79 F CA -0.459 57.526 58.000 -0.026 0.000 1.294 79 F CB -0.202 38.796 39.000 -0.005 0.000 0.975 79 F HN 0.088 nan 8.300 nan 0.000 0.512 80 H N -0.589 118.558 119.070 0.127 0.000 3.483 80 H HA 0.421 4.977 4.556 -0.001 0.000 0.110 80 H C 0.777 176.136 175.328 0.050 0.000 1.563 80 H CA 0.248 56.343 56.048 0.079 0.000 1.592 80 H CB 0.214 29.999 29.762 0.039 0.000 0.828 80 H HN 0.045 nan 8.280 nan 0.000 0.727 81 T N -0.895 113.756 114.554 0.163 0.000 2.887 81 T HA 0.316 4.665 4.350 -0.001 0.000 0.292 81 T C -0.024 174.681 174.700 0.009 0.000 1.087 81 T CA -0.851 61.295 62.100 0.076 0.000 1.009 81 T CB 1.534 70.426 68.868 0.040 0.000 1.203 81 T HN 0.615 nan 8.240 nan 0.000 0.518 82 T N -1.295 113.258 114.554 -0.001 0.000 2.813 82 T HA 0.228 4.578 4.350 -0.001 0.000 0.297 82 T C 1.056 175.673 174.700 -0.139 0.000 1.036 82 T CA 0.024 62.100 62.100 -0.039 0.000 1.044 82 T CB 0.569 69.449 68.868 0.021 0.000 0.993 82 T HN 0.851 nan 8.240 nan 0.000 0.535 83 H N 0.527 119.436 119.070 -0.268 0.000 2.256 83 H HA 0.024 4.580 4.556 -0.001 0.000 0.299 83 H C 1.350 176.305 175.328 -0.622 0.000 1.071 83 H CA 2.074 57.830 56.048 -0.487 0.000 1.280 83 H CB -0.207 29.151 29.762 -0.672 0.000 1.370 83 H HN 0.622 nan 8.280 nan 0.000 0.490 84 F N -1.723 118.045 119.950 -0.304 0.000 2.473 84 F HA 0.113 4.640 4.527 -0.000 0.000 0.294 84 F C 0.922 176.080 175.800 -1.070 0.000 1.103 84 F CA 0.335 57.895 58.000 -0.733 0.000 1.442 84 F CB 0.386 38.768 39.000 -1.030 0.000 1.097 84 F HN 0.141 nan 8.300 nan 0.000 0.547 85 F N -0.947 118.827 119.950 -0.293 0.000 2.798 85 F HA 0.253 4.780 4.527 -0.001 0.000 0.328 85 F C 0.175 175.559 175.800 -0.692 0.000 1.098 85 F CA -0.894 56.761 58.000 -0.575 0.000 1.172 85 F CB -1.054 37.394 39.000 -0.921 0.000 1.072 85 F HN -0.175 nan 8.300 nan 0.000 0.555 86 N N 0.592 119.082 118.700 -0.350 0.000 2.725 86 N HA -0.215 4.524 4.740 -0.001 0.000 0.251 86 N C -0.763 174.760 175.510 0.023 0.000 1.031 86 N CA -0.048 52.911 53.050 -0.152 0.000 0.720 86 N CB -1.193 37.243 38.487 -0.085 0.000 0.930 86 N HN 0.039 nan 8.380 nan 0.000 0.543 87 F N 0.070 120.129 119.950 0.181 0.000 2.368 87 F HA 0.447 4.973 4.527 -0.001 0.000 0.308 87 F C -1.541 174.348 175.800 0.148 0.000 1.198 87 F CA -2.721 55.413 58.000 0.224 0.000 1.130 87 F CB -0.524 38.684 39.000 0.346 0.000 1.300 87 F HN -0.159 nan 8.300 nan 0.000 0.537 88 P HA 0.034 nan 4.420 nan 0.000 0.264 88 P C 0.348 177.720 177.300 0.119 0.000 1.193 88 P CA 0.037 63.258 63.100 0.200 0.000 0.763 88 P CB 0.638 32.440 31.700 0.169 0.000 0.810 89 K N 2.243 122.680 120.400 0.061 0.000 2.097 89 K HA -0.033 4.287 4.320 -0.001 0.000 0.206 89 K C 0.076 176.597 176.600 -0.133 0.000 1.049 89 K CA 1.673 57.939 56.287 -0.035 0.000 0.933 89 K CB -0.245 32.230 32.500 -0.042 0.000 0.717 89 K HN 0.397 nan 8.250 nan 0.000 0.442 90 T N 0.438 114.901 114.554 -0.152 0.000 2.881 90 T HA 0.525 4.874 4.350 -0.001 0.000 0.291 90 T C -0.203 174.480 174.700 -0.029 0.000 0.990 90 T CA -0.625 61.365 62.100 -0.184 0.000 0.976 90 T CB 1.613 70.190 68.868 -0.484 0.000 0.970 90 T HN 0.285 nan 8.240 nan 0.000 0.438 91 G N 1.018 109.796 108.800 -0.038 0.000 2.606 91 G HA2 0.473 4.433 3.960 -0.001 0.000 0.252 91 G HA3 0.473 4.433 3.960 -0.001 0.000 0.252 91 G C 1.175 176.111 174.900 0.060 0.000 1.206 91 G CA -0.205 44.891 45.100 -0.008 0.000 0.861 91 G HN 0.843 nan 8.290 nan 0.000 0.561 92 A N 0.618 123.481 122.820 0.072 0.000 1.908 92 A HA -0.061 4.259 4.320 -0.001 0.000 0.218 92 A C 2.404 180.042 177.584 0.089 0.000 1.181 92 A CA 1.344 53.441 52.037 0.099 0.000 0.627 92 A CB -0.423 18.624 19.000 0.080 0.000 0.818 92 A HN 0.562 nan 8.150 nan 0.000 0.445 93 L N -1.378 119.875 121.223 0.051 0.000 2.046 93 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 93 L C 2.818 179.735 176.870 0.078 0.000 1.077 93 L CA 1.854 56.727 54.840 0.054 0.000 0.747 93 L CB -0.471 41.597 42.059 0.015 0.000 0.896 93 L HN 0.468 nan 8.230 nan 0.000 0.432 94 R N 0.288 120.825 120.500 0.062 0.000 2.075 94 R HA -0.108 4.232 4.340 -0.001 0.000 0.232 94 R C 2.296 178.722 176.300 0.211 0.000 1.126 94 R CA 1.321 57.498 56.100 0.128 0.000 0.963 94 R CB -0.471 29.901 30.300 0.120 0.000 0.858 94 R HN 0.339 nan 8.270 nan 0.000 0.435 95 G N -0.452 108.472 108.800 0.208 0.000 2.469 95 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.219 95 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.219 95 G C 1.444 176.455 174.900 0.185 0.000 1.150 95 G CA 0.838 46.115 45.100 0.294 0.000 0.763 95 G HN 0.519 nan 8.290 nan 0.000 0.561 96 G N 0.154 109.034 108.800 0.133 0.000 2.418 96 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.217 96 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.217 96 G C 1.626 176.546 174.900 0.033 0.000 1.158 96 G CA 0.855 46.000 45.100 0.075 0.000 0.771 96 G HN 0.370 nan 8.290 nan 0.000 0.545 97 F N 0.755 120.639 119.950 -0.111 0.000 2.102 97 F HA -0.020 4.507 4.527 -0.001 0.000 0.298 97 F C 2.346 177.895 175.800 -0.418 0.000 1.105 97 F CA 1.315 59.166 58.000 -0.249 0.000 1.239 97 F CB -0.202 38.619 39.000 -0.298 0.000 0.991 97 F HN 0.123 nan 8.300 nan 0.000 0.474 98 L N 0.289 121.368 121.223 -0.239 0.000 1.990 98 L HA -0.279 4.061 4.340 -0.001 0.000 0.213 98 L C 2.168 178.881 176.870 -0.261 0.000 1.072 98 L CA 1.969 56.603 54.840 -0.344 0.000 0.755 98 L CB -0.890 41.210 42.059 0.069 0.000 0.889 98 L HN 0.132 nan 8.230 nan 0.000 0.432 99 M N -0.529 118.992 119.600 -0.132 0.000 2.108 99 M HA -0.214 4.266 4.480 -0.001 0.000 0.261 99 M C 2.208 178.395 176.300 -0.189 0.000 1.066 99 M CA 1.567 56.793 55.300 -0.123 0.000 1.107 99 M CB -1.420 31.145 32.600 -0.057 0.000 1.356 99 M HN 0.398 nan 8.290 nan 0.000 0.406 100 E N -0.611 119.442 120.200 -0.245 0.000 2.110 100 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 100 E C 2.192 178.594 176.600 -0.331 0.000 0.988 100 E CA 1.444 57.677 56.400 -0.278 0.000 0.804 100 E CB -0.181 29.324 29.700 -0.324 0.000 0.745 100 E HN 0.489 nan 8.360 nan 0.000 0.458 101 C N 0.719 119.744 119.300 -0.457 0.000 2.425 101 C HA -0.114 4.345 4.460 -0.001 0.000 0.277 101 C C 2.579 177.392 174.990 -0.294 0.000 1.280 101 C CA 0.467 59.252 59.018 -0.387 0.000 1.744 101 C CB -0.912 26.557 27.740 -0.452 0.000 1.989 101 C HN 0.391 nan 8.230 nan 0.000 0.491 102 L N 0.128 121.169 121.223 -0.304 0.000 2.056 102 L HA -0.101 4.238 4.340 -0.001 0.000 0.207 102 L C 2.628 179.367 176.870 -0.219 0.000 1.078 102 L CA 1.079 55.743 54.840 -0.293 0.000 0.749 102 L CB -0.780 41.101 42.059 -0.297 0.000 0.901 102 L HN 0.181 nan 8.230 nan 0.000 0.433 103 V N 0.246 120.051 119.914 -0.181 0.000 2.287 103 V HA -0.343 3.776 4.120 -0.001 0.000 0.248 103 V C 2.195 178.203 176.094 -0.144 0.000 1.053 103 V CA 2.311 64.526 62.300 -0.141 0.000 1.027 103 V CB -0.479 31.274 31.823 -0.117 0.000 0.646 103 V HN 0.494 nan 8.190 nan 0.000 0.447 104 D N -0.498 119.810 120.400 -0.153 0.000 2.117 104 D HA -0.171 4.469 4.640 -0.001 0.000 0.198 104 D C 1.941 178.156 176.300 -0.142 0.000 0.982 104 D CA 1.061 54.985 54.000 -0.127 0.000 0.828 104 D CB -0.112 40.621 40.800 -0.112 0.000 0.967 104 D HN 0.274 nan 8.370 nan 0.000 0.464 105 L N 0.876 121.982 121.223 -0.194 0.000 2.046 105 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 105 L C 2.307 179.025 176.870 -0.252 0.000 1.077 105 L CA 1.749 56.439 54.840 -0.251 0.000 0.747 105 L CB -0.731 41.105 42.059 -0.371 0.000 0.896 105 L HN -0.026 nan 8.230 nan 0.000 0.432 106 R N -0.190 120.171 120.500 -0.232 0.000 2.091 106 R HA -0.254 4.086 4.340 -0.001 0.000 0.238 106 R C 2.460 178.641 176.300 -0.199 0.000 1.136 106 R CA 2.072 58.039 56.100 -0.221 0.000 0.959 106 R CB -0.341 29.848 30.300 -0.186 0.000 0.856 106 R HN 0.452 nan 8.270 nan 0.000 0.437 107 K N 0.042 120.348 120.400 -0.156 0.000 2.032 107 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 107 K C 1.641 178.165 176.600 -0.127 0.000 1.048 107 K CA 1.921 58.134 56.287 -0.124 0.000 0.927 107 K CB -0.066 32.382 32.500 -0.088 0.000 0.712 107 K HN 0.234 nan 8.250 nan 0.000 0.441 108 N N 0.742 119.359 118.700 -0.138 0.000 2.270 108 N HA -0.097 4.642 4.740 -0.001 0.000 0.181 108 N C 1.851 177.224 175.510 -0.228 0.000 1.016 108 N CA 0.912 53.856 53.050 -0.177 0.000 0.870 108 N CB -0.113 38.261 38.487 -0.189 0.000 0.979 108 N HN 0.207 nan 8.380 nan 0.000 0.431 109 L N 0.452 121.548 121.223 -0.211 0.000 2.093 109 L HA -0.012 4.328 4.340 -0.001 0.000 0.208 109 L C 2.328 179.084 176.870 -0.190 0.000 1.085 109 L CA 0.815 55.539 54.840 -0.193 0.000 0.755 109 L CB -0.261 41.687 42.059 -0.185 0.000 0.904 109 L HN 0.112 nan 8.230 nan 0.000 0.435 110 M N -0.698 118.781 119.600 -0.201 0.000 2.213 110 M HA -0.223 4.257 4.480 -0.001 0.000 0.263 110 M C 2.124 178.344 176.300 -0.133 0.000 1.062 110 M CA 1.625 56.816 55.300 -0.181 0.000 1.105 110 M CB -0.260 32.233 32.600 -0.180 0.000 1.385 110 M HN 0.110 nan 8.290 nan 0.000 0.417 111 K N -0.001 120.321 120.400 -0.131 0.000 2.280 111 K HA -0.090 4.229 4.320 -0.001 0.000 0.202 111 K C 1.215 177.746 176.600 -0.115 0.000 1.047 111 K CA 0.827 57.050 56.287 -0.108 0.000 0.942 111 K CB 0.013 32.452 32.500 -0.102 0.000 0.739 111 K HN 0.416 nan 8.250 nan 0.000 0.457 112 R N -0.402 120.013 120.500 -0.141 0.000 2.507 112 R HA 0.113 4.452 4.340 -0.001 0.000 0.298 112 R C 0.508 176.753 176.300 -0.091 0.000 0.999 112 R CA 0.406 56.427 56.100 -0.132 0.000 1.082 112 R CB 1.000 31.189 30.300 -0.184 0.000 1.246 112 R HN 0.249 nan 8.270 nan 0.000 0.553 113 G N 1.465 110.217 108.800 -0.080 0.000 2.137 113 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.237 113 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.237 113 G C 0.046 174.918 174.900 -0.046 0.000 1.002 113 G CA 0.104 45.176 45.100 -0.047 0.000 0.702 113 G HN 0.185 nan 8.290 nan 0.000 0.515 114 L N -1.319 119.846 121.223 -0.096 0.000 2.293 114 L HA 0.799 5.138 4.340 -0.001 0.000 0.264 114 L C 0.365 177.060 176.870 -0.292 0.000 1.029 114 L CA -1.327 53.443 54.840 -0.115 0.000 0.897 114 L CB 1.625 43.647 42.059 -0.063 0.000 1.497 114 L HN 0.148 nan 8.230 nan 0.000 0.495 115 N N -0.318 118.113 118.700 -0.449 0.000 2.927 115 N HA 0.397 5.136 4.740 -0.001 0.000 0.248 115 N C -2.111 173.062 175.510 -0.561 0.000 1.443 115 N CA -0.483 52.084 53.050 -0.804 0.000 0.870 115 N CB 2.217 39.597 38.487 -1.846 0.000 1.444 115 N HN 0.339 nan 8.380 nan 0.000 0.519 116 L N 2.103 123.074 121.223 -0.420 0.000 2.280 116 L HA 0.551 4.891 4.340 -0.001 0.000 0.287 116 L C -0.995 175.992 176.870 0.196 0.000 1.023 116 L CA -0.619 54.182 54.840 -0.066 0.000 0.819 116 L CB 0.848 42.841 42.059 -0.110 0.000 1.212 116 L HN 0.509 nan 8.230 nan 0.000 0.420 117 L N 6.626 128.114 121.223 0.442 0.000 2.313 117 L HA 0.454 4.794 4.340 -0.001 0.000 0.282 117 L C -0.620 176.441 176.870 0.318 0.000 1.092 117 L CA 0.579 55.711 54.840 0.487 0.000 0.831 117 L CB 0.261 42.541 42.059 0.369 0.000 1.159 117 L HN 0.519 nan 8.230 nan 0.000 0.442 118 I N 6.045 126.777 120.570 0.271 0.000 2.378 118 I HA 0.523 4.693 4.170 -0.001 0.000 0.291 118 I C -0.168 176.061 176.117 0.187 0.000 0.992 118 I CA -0.724 60.723 61.300 0.246 0.000 1.154 118 I CB 1.037 39.159 38.000 0.203 0.000 1.315 118 I HN 0.494 nan 8.210 nan 0.000 0.448 119 R N 3.549 124.153 120.500 0.173 0.000 2.725 119 R HA 0.515 4.855 4.340 -0.001 0.000 0.277 119 R C -1.213 175.144 176.300 0.095 0.000 0.987 119 R CA -0.903 55.262 56.100 0.108 0.000 0.901 119 R CB 2.408 32.753 30.300 0.076 0.000 1.207 119 R HN 0.466 nan 8.270 nan 0.000 0.463 120 S N 0.407 116.147 115.700 0.067 0.000 2.457 120 S HA 0.807 5.276 4.470 -0.001 0.000 0.289 120 S C 0.116 174.734 174.600 0.031 0.000 1.163 120 S CA -0.070 58.161 58.200 0.052 0.000 1.078 120 S CB 1.554 64.775 63.200 0.035 0.000 0.987 120 S HN 0.863 nan 8.310 nan 0.000 0.482 121 G N 2.745 111.560 108.800 0.026 0.000 2.369 121 G HA2 0.126 4.085 3.960 -0.001 0.000 0.293 121 G HA3 0.126 4.085 3.960 -0.001 0.000 0.293 121 G C -1.943 172.955 174.900 -0.003 0.000 1.301 121 G CA -1.105 44.002 45.100 0.011 0.000 0.913 121 G HN 0.534 nan 8.290 nan 0.000 0.540 122 K N 1.147 121.539 120.400 -0.013 0.000 2.276 122 K HA 0.360 4.680 4.320 -0.001 0.000 0.283 122 K C -1.656 174.891 176.600 -0.088 0.000 1.044 122 K CA -1.512 54.759 56.287 -0.027 0.000 0.944 122 K CB 1.979 34.471 32.500 -0.013 0.000 1.012 122 K HN 0.081 nan 8.250 nan 0.000 0.472 123 P HA -0.260 nan 4.420 nan 0.000 0.216 123 P C 0.884 177.988 177.300 -0.328 0.000 1.150 123 P CA 1.262 64.161 63.100 -0.335 0.000 0.843 123 P CB 0.173 31.593 31.700 -0.466 0.000 0.787 124 E N 0.295 120.374 120.200 -0.202 0.000 2.409 124 E HA -0.175 4.175 4.350 -0.001 0.000 0.198 124 E C 1.275 177.808 176.600 -0.112 0.000 1.024 124 E CA 1.171 57.480 56.400 -0.152 0.000 0.861 124 E CB -0.556 29.096 29.700 -0.081 0.000 0.788 124 E HN 0.396 nan 8.360 nan 0.000 0.521 125 E N 0.485 120.626 120.200 -0.099 0.000 2.162 125 E HA 0.135 4.485 4.350 -0.001 0.000 0.193 125 E C 2.313 178.868 176.600 -0.076 0.000 0.953 125 E CA 0.212 56.571 56.400 -0.069 0.000 0.849 125 E CB 0.103 29.777 29.700 -0.043 0.000 0.810 125 E HN 0.190 nan 8.360 nan 0.000 0.470 126 I N 1.390 121.903 120.570 -0.096 0.000 2.202 126 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 126 I C 2.352 178.409 176.117 -0.098 0.000 1.091 126 I CA 1.039 62.289 61.300 -0.083 0.000 1.368 126 I CB -0.139 37.810 38.000 -0.086 0.000 1.058 126 I HN 0.076 nan 8.210 nan 0.000 0.410 127 L N 0.454 121.568 121.223 -0.181 0.000 2.056 127 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 127 L C -0.291 176.517 176.870 -0.103 0.000 1.078 127 L CA 1.496 56.222 54.840 -0.189 0.000 0.749 127 L CB -1.951 39.889 42.059 -0.365 0.000 0.901 127 L HN 0.187 nan 8.230 nan 0.000 0.433 128 P HA -0.146 nan 4.420 nan 0.000 0.218 128 P C 1.879 179.163 177.300 -0.028 0.000 1.149 128 P CA 1.335 64.400 63.100 -0.057 0.000 0.817 128 P CB 0.107 31.772 31.700 -0.059 0.000 0.785 129 S N -0.906 114.778 115.700 -0.026 0.000 2.355 129 S HA -0.084 4.385 4.470 -0.001 0.000 0.222 129 S C 1.813 176.430 174.600 0.028 0.000 1.031 129 S CA 0.946 59.141 58.200 -0.009 0.000 0.993 129 S CB -1.037 62.155 63.200 -0.013 0.000 0.859 129 S HN -0.025 nan 8.310 nan 0.000 0.453 130 L N 1.173 122.433 121.223 0.063 0.000 2.083 130 L HA -0.091 4.249 4.340 -0.001 0.000 0.209 130 L C 2.936 179.929 176.870 0.204 0.000 1.083 130 L CA 1.178 56.130 54.840 0.186 0.000 0.752 130 L CB -0.763 41.382 42.059 0.143 0.000 0.899 130 L HN 0.418 nan 8.230 nan 0.000 0.433 131 A N 0.222 123.096 122.820 0.089 0.000 1.877 131 A HA -0.261 4.059 4.320 -0.001 0.000 0.216 131 A C 2.434 180.058 177.584 0.068 0.000 1.186 131 A CA 2.059 54.139 52.037 0.071 0.000 0.620 131 A CB -0.444 18.565 19.000 0.015 0.000 0.822 131 A HN 0.327 nan 8.150 nan 0.000 0.443 132 K N -0.703 119.715 120.400 0.031 0.000 2.025 132 K HA -0.182 4.138 4.320 -0.001 0.000 0.207 132 K C 1.419 178.008 176.600 -0.018 0.000 1.049 132 K CA 1.609 57.898 56.287 0.003 0.000 0.933 132 K CB -0.233 32.257 32.500 -0.016 0.000 0.714 132 K HN 0.368 nan 8.250 nan 0.000 0.438 133 D N -0.012 120.363 120.400 -0.041 0.000 2.117 133 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 133 D C 1.396 177.517 176.300 -0.298 0.000 0.987 133 D CA 1.275 55.160 54.000 -0.193 0.000 0.829 133 D CB -0.107 40.529 40.800 -0.273 0.000 0.961 133 D HN 0.240 nan 8.370 nan 0.000 0.460 134 F N -0.426 119.513 119.950 -0.017 0.000 2.727 134 F HA 0.287 4.813 4.527 -0.000 0.000 0.302 134 F C 1.582 177.382 175.800 -0.001 0.000 1.097 134 F CA 0.136 58.131 58.000 -0.008 0.000 1.330 134 F CB 0.381 39.382 39.000 0.001 0.000 1.084 134 F HN -0.056 nan 8.300 nan 0.000 0.578 135 G N 1.415 110.287 108.800 0.120 0.000 2.295 135 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.287 135 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.287 135 G C 0.265 175.215 174.900 0.084 0.000 1.055 135 G CA -0.012 45.132 45.100 0.074 0.000 0.922 135 G HN 0.639 nan 8.290 nan 0.000 0.503 136 A N -0.339 122.539 122.820 0.097 0.000 2.450 136 A HA 0.626 4.946 4.320 -0.001 0.000 0.255 136 A C 1.449 179.057 177.584 0.040 0.000 1.096 136 A CA 0.482 52.565 52.037 0.076 0.000 0.778 136 A CB 0.271 19.317 19.000 0.076 0.000 1.031 136 A HN 0.564 nan 8.150 nan 0.000 0.494 137 R N 0.719 121.240 120.500 0.036 0.000 2.115 137 R HA 0.001 4.341 4.340 -0.001 0.000 0.226 137 R C 0.226 176.513 176.300 -0.022 0.000 1.100 137 R CA 1.554 57.662 56.100 0.013 0.000 0.980 137 R CB -0.171 30.144 30.300 0.025 0.000 0.875 137 R HN 0.874 nan 8.270 nan 0.000 0.445 138 T N -2.957 111.581 114.554 -0.028 0.000 2.894 138 T HA 0.486 4.835 4.350 -0.001 0.000 0.309 138 T C -0.701 173.929 174.700 -0.116 0.000 1.208 138 T CA -0.877 61.132 62.100 -0.151 0.000 1.016 138 T CB 2.499 71.184 68.868 -0.305 0.000 1.192 138 T HN -0.222 nan 8.240 nan 0.000 0.491 139 V N 2.644 122.445 119.914 -0.189 0.000 2.378 139 V HA 0.537 4.656 4.120 -0.001 0.000 0.288 139 V C -1.020 174.980 176.094 -0.158 0.000 1.016 139 V CA -0.750 61.516 62.300 -0.058 0.000 0.840 139 V CB 0.606 32.439 31.823 0.016 0.000 0.994 139 V HN 0.858 nan 8.190 nan 0.000 0.431 140 F N 3.199 123.191 119.950 0.069 0.000 2.404 140 F HA 0.823 5.349 4.527 -0.001 0.000 0.339 140 F C 0.549 176.342 175.800 -0.011 0.000 1.105 140 F CA -0.144 57.864 58.000 0.014 0.000 1.087 140 F CB 1.817 40.794 39.000 -0.039 0.000 1.143 140 F HN 0.598 nan 8.300 nan 0.000 0.491 141 A N 1.919 124.791 122.820 0.087 0.000 2.612 141 A HA 0.514 4.833 4.320 -0.001 0.000 0.293 141 A C -1.451 176.012 177.584 -0.202 0.000 1.075 141 A CA -0.773 51.184 52.037 -0.132 0.000 0.680 141 A CB 1.032 19.926 19.000 -0.176 0.000 1.279 141 A HN 0.694 nan 8.150 nan 0.000 0.411 142 H N 0.921 119.868 119.070 -0.205 0.000 2.652 142 H HA 0.250 4.806 4.556 -0.001 0.000 0.349 142 H C 0.035 175.250 175.328 -0.188 0.000 1.099 142 H CA 0.321 56.264 56.048 -0.174 0.000 1.417 142 H CB 1.406 31.039 29.762 -0.215 0.000 1.457 142 H HN 0.614 nan 8.280 nan 0.000 0.568 143 K N 2.961 123.378 120.400 0.027 0.000 2.368 143 K HA 0.032 4.351 4.320 -0.001 0.000 0.282 143 K C 0.033 176.579 176.600 -0.089 0.000 1.035 143 K CA -0.051 56.250 56.287 0.025 0.000 0.973 143 K CB 0.495 33.111 32.500 0.195 0.000 0.957 143 K HN 0.501 nan 8.250 nan 0.000 0.474 144 E N 1.208 121.382 120.200 -0.042 0.000 2.284 144 E HA 0.236 4.586 4.350 -0.001 0.000 0.255 144 E C 0.347 176.976 176.600 0.049 0.000 1.052 144 E CA -0.102 56.264 56.400 -0.057 0.000 0.904 144 E CB 1.568 31.234 29.700 -0.057 0.000 1.217 144 E HN 0.818 nan 8.360 nan 0.000 0.438 145 T N -3.898 110.688 114.554 0.054 0.000 2.989 145 T HA 0.190 4.539 4.350 -0.001 0.000 0.250 145 T C 0.984 175.753 174.700 0.114 0.000 0.981 145 T CA -0.143 62.033 62.100 0.126 0.000 0.980 145 T CB -0.200 68.758 68.868 0.150 0.000 1.133 145 T HN 0.314 nan 8.240 nan 0.000 0.489 146 C N 2.212 121.571 119.300 0.099 0.000 2.382 146 C HA 0.728 5.187 4.460 -0.001 0.000 0.363 146 C C 2.430 177.485 174.990 0.108 0.000 1.213 146 C CA 0.039 59.142 59.018 0.142 0.000 2.363 146 C CB 1.178 29.039 27.740 0.201 0.000 2.397 146 C HN 0.619 nan 8.230 nan 0.000 0.573 147 S N 0.770 116.543 115.700 0.120 0.000 2.380 147 S HA -0.237 4.232 4.470 -0.001 0.000 0.229 147 S C 1.596 176.214 174.600 0.030 0.000 1.050 147 S CA 2.544 60.783 58.200 0.064 0.000 1.100 147 S CB -0.378 62.843 63.200 0.036 0.000 0.984 147 S HN 0.841 nan 8.310 nan 0.000 0.434 148 E N -0.041 120.153 120.200 -0.010 0.000 2.077 148 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 148 E C 2.248 178.870 176.600 0.037 0.000 0.989 148 E CA 1.550 57.948 56.400 -0.003 0.000 0.800 148 E CB -0.172 29.506 29.700 -0.036 0.000 0.746 148 E HN 0.570 nan 8.360 nan 0.000 0.452 149 E N 0.043 120.268 120.200 0.042 0.000 2.107 149 E HA -0.130 4.220 4.350 -0.001 0.000 0.191 149 E C 2.239 178.888 176.600 0.081 0.000 0.982 149 E CA 1.075 57.509 56.400 0.057 0.000 0.809 149 E CB -0.149 29.566 29.700 0.025 0.000 0.756 149 E HN 0.287 nan 8.360 nan 0.000 0.459 150 V N -0.793 119.168 119.914 0.079 0.000 2.667 150 V HA -0.148 3.971 4.120 -0.001 0.000 0.252 150 V C 1.787 177.936 176.094 0.093 0.000 1.065 150 V CA 1.970 64.325 62.300 0.093 0.000 1.083 150 V CB -0.392 31.489 31.823 0.097 0.000 0.692 150 V HN 0.024 nan 8.190 nan 0.000 0.468 151 D N 0.795 121.242 120.400 0.078 0.000 2.117 151 D HA -0.128 4.512 4.640 -0.001 0.000 0.198 151 D C 1.992 178.342 176.300 0.082 0.000 0.982 151 D CA 1.662 55.703 54.000 0.069 0.000 0.828 151 D CB -0.094 40.736 40.800 0.050 0.000 0.967 151 D HN 0.338 nan 8.370 nan 0.000 0.464 152 V N 0.522 120.501 119.914 0.108 0.000 2.427 152 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 152 V C 2.211 178.420 176.094 0.191 0.000 1.051 152 V CA 1.732 64.118 62.300 0.144 0.000 1.048 152 V CB -0.535 31.410 31.823 0.204 0.000 0.666 152 V HN 0.249 nan 8.190 nan 0.000 0.456 153 E N 0.041 120.372 120.200 0.218 0.000 2.085 153 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 153 E C 2.428 179.111 176.600 0.139 0.000 0.994 153 E CA 1.523 58.061 56.400 0.230 0.000 0.801 153 E CB -0.250 29.559 29.700 0.180 0.000 0.743 153 E HN 0.481 nan 8.360 nan 0.000 0.453 154 R N 0.982 121.542 120.500 0.101 0.000 2.073 154 R HA -0.158 4.182 4.340 -0.001 0.000 0.234 154 R C 2.343 178.671 176.300 0.046 0.000 1.134 154 R CA 1.237 57.377 56.100 0.068 0.000 0.952 154 R CB -0.283 30.052 30.300 0.059 0.000 0.850 154 R HN 0.158 nan 8.270 nan 0.000 0.433 155 L N 0.405 121.653 121.223 0.041 0.000 2.083 155 L HA -0.159 4.181 4.340 -0.001 0.000 0.209 155 L C 2.478 179.339 176.870 -0.015 0.000 1.083 155 L CA 0.886 55.734 54.840 0.013 0.000 0.752 155 L CB -0.281 41.786 42.059 0.012 0.000 0.899 155 L HN 0.099 nan 8.230 nan 0.000 0.433 156 V N -0.109 119.793 119.914 -0.021 0.000 2.307 156 V HA -0.265 3.855 4.120 -0.001 0.000 0.245 156 V C 2.248 178.317 176.094 -0.042 0.000 1.045 156 V CA 2.021 64.270 62.300 -0.085 0.000 1.024 156 V CB -0.677 31.048 31.823 -0.164 0.000 0.651 156 V HN 0.474 nan 8.190 nan 0.000 0.449 157 N N 0.305 119.010 118.700 0.008 0.000 2.069 157 N HA -0.215 4.525 4.740 -0.001 0.000 0.191 157 N C 1.949 177.457 175.510 -0.003 0.000 1.031 157 N CA 1.860 54.917 53.050 0.010 0.000 0.852 157 N CB -0.227 38.280 38.487 0.034 0.000 1.018 157 N HN 0.553 nan 8.380 nan 0.000 0.423 158 Q N -1.029 118.771 119.800 0.001 0.000 2.167 158 Q HA -0.000 4.340 4.340 -0.001 0.000 0.202 158 Q C 2.040 178.032 176.000 -0.014 0.000 0.970 158 Q CA 1.228 57.030 55.803 -0.003 0.000 0.855 158 Q CB -0.274 28.466 28.738 0.003 0.000 0.911 158 Q HN 0.496 nan 8.270 nan 0.000 0.438 159 G N 0.962 109.747 108.800 -0.026 0.000 2.418 159 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 159 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 159 G C 1.385 176.263 174.900 -0.037 0.000 1.158 159 G CA 0.462 45.540 45.100 -0.036 0.000 0.771 159 G HN 0.176 nan 8.290 nan 0.000 0.545 160 L N -0.082 121.116 121.223 -0.041 0.000 2.083 160 L HA -0.039 4.300 4.340 -0.001 0.000 0.209 160 L C 2.942 179.797 176.870 -0.025 0.000 1.083 160 L CA 1.171 55.989 54.840 -0.036 0.000 0.752 160 L CB -0.244 41.791 42.059 -0.040 0.000 0.899 160 L HN 0.172 nan 8.230 nan 0.000 0.433 161 K N -0.215 120.174 120.400 -0.019 0.000 2.097 161 K HA -0.181 4.138 4.320 -0.001 0.000 0.205 161 K C 2.244 178.837 176.600 -0.013 0.000 1.050 161 K CA 1.049 57.328 56.287 -0.013 0.000 0.938 161 K CB -0.130 32.365 32.500 -0.008 0.000 0.718 161 K HN 0.142 nan 8.250 nan 0.000 0.442 162 R N 1.272 121.763 120.500 -0.014 0.000 2.148 162 R HA -0.083 4.257 4.340 -0.001 0.000 0.227 162 R C 1.689 177.980 176.300 -0.015 0.000 1.103 162 R CA 1.058 57.150 56.100 -0.013 0.000 0.983 162 R CB 0.088 30.380 30.300 -0.014 0.000 0.874 162 R HN 0.148 nan 8.270 nan 0.000 0.451 163 V N -1.991 117.912 119.914 -0.018 0.000 3.563 163 V HA 0.434 4.554 4.120 -0.001 0.000 0.299 163 V C 0.326 176.411 176.094 -0.015 0.000 1.290 163 V CA 0.290 62.580 62.300 -0.017 0.000 1.201 163 V CB -0.456 31.355 31.823 -0.020 0.000 1.045 163 V HN 0.407 nan 8.190 nan 0.000 0.425 164 G N 0.164 108.956 108.800 -0.013 0.000 2.515 164 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.686 164 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.686 164 G C -0.643 174.250 174.900 -0.011 0.000 1.274 164 G CA -0.340 44.753 45.100 -0.011 0.000 0.874 164 G HN 0.409 nan 8.290 nan 0.000 0.631 165 N N -0.072 118.623 118.700 -0.009 0.000 2.294 165 N HA 0.546 5.286 4.740 -0.001 0.000 0.275 165 N C 1.784 177.288 175.510 -0.010 0.000 1.291 165 N CA 1.522 54.566 53.050 -0.009 0.000 0.933 165 N CB 0.633 39.117 38.487 -0.006 0.000 1.096 165 N HN 2.058 nan 8.380 nan 0.000 0.525 166 S N -2.124 113.570 115.700 -0.010 0.000 1.586 166 S HA -0.211 4.258 4.470 -0.001 0.000 0.250 166 S C 0.151 174.741 174.600 -0.017 0.000 0.736 166 S CA 1.236 59.430 58.200 -0.010 0.000 1.433 166 S CB -2.033 61.164 63.200 -0.005 0.000 1.058 166 S HN 0.539 nan 8.310 nan 0.000 0.494 167 T N 5.893 120.436 114.554 -0.018 0.000 2.769 167 T HA 0.492 4.841 4.350 -0.001 0.000 0.293 167 T C 0.008 174.684 174.700 -0.041 0.000 0.931 167 T CA 0.488 62.572 62.100 -0.027 0.000 1.139 167 T CB 0.414 69.270 68.868 -0.019 0.000 0.881 167 T HN 0.810 nan 8.240 nan 0.000 0.532 168 K N 2.347 122.707 120.400 -0.065 0.000 2.375 168 K HA 0.646 4.965 4.320 -0.001 0.000 0.249 168 K C -1.104 175.426 176.600 -0.115 0.000 0.942 168 K CA -1.264 54.978 56.287 -0.074 0.000 0.806 168 K CB 1.622 34.082 32.500 -0.066 0.000 1.227 168 K HN 0.267 nan 8.250 nan 0.000 0.430 169 L N 1.998 123.177 121.223 -0.074 0.000 2.319 169 L HA 0.218 4.557 4.340 -0.001 0.000 0.280 169 L C -0.730 176.084 176.870 -0.093 0.000 1.099 169 L CA 0.449 55.254 54.840 -0.058 0.000 0.828 169 L CB 0.442 42.520 42.059 0.030 0.000 1.150 169 L HN 0.597 nan 8.230 nan 0.000 0.442 170 E N 6.911 126.996 120.200 -0.192 0.000 2.141 170 E HA 0.298 4.648 4.350 -0.001 0.000 0.259 170 E C -1.081 175.523 176.600 0.007 0.000 0.883 170 E CA -0.349 55.955 56.400 -0.160 0.000 0.744 170 E CB 1.482 30.899 29.700 -0.471 0.000 1.150 170 E HN 0.599 nan 8.360 nan 0.000 0.420 171 L N 3.980 125.247 121.223 0.073 0.000 2.276 171 L HA 0.408 4.747 4.340 -0.001 0.000 0.286 171 L C -0.023 176.940 176.870 0.154 0.000 1.061 171 L CA -0.643 54.259 54.840 0.103 0.000 0.807 171 L CB 0.732 42.857 42.059 0.111 0.000 1.177 171 L HN 0.272 nan 8.230 nan 0.000 0.429 172 I N 2.483 123.134 120.570 0.134 0.000 2.404 172 I HA 0.190 4.359 4.170 -0.001 0.000 0.293 172 I C -0.168 176.125 176.117 0.293 0.000 0.992 172 I CA -0.585 60.834 61.300 0.199 0.000 1.149 172 I CB 1.795 39.843 38.000 0.079 0.000 1.315 172 I HN 0.710 nan 8.210 nan 0.000 0.446 173 W N 6.617 128.040 121.300 0.206 0.000 2.253 173 W HA 0.475 5.135 4.660 -0.001 0.000 0.322 173 W C -0.248 176.366 176.519 0.159 0.000 1.342 173 W CA 0.343 57.765 57.345 0.128 0.000 1.218 173 W CB 1.368 30.808 29.460 -0.032 0.000 1.205 173 W HN 0.663 nan 8.180 nan 0.000 0.551 174 G N 1.542 109.866 108.800 -0.793 0.000 2.871 174 G HA2 0.410 4.369 3.960 -0.001 0.000 0.282 174 G HA3 0.410 4.369 3.960 -0.001 0.000 0.282 174 G C 0.204 174.609 174.900 -0.825 0.000 1.212 174 G CA 0.550 45.291 45.100 -0.598 0.000 0.812 174 G HN 1.052 nan 8.290 nan 0.000 0.547 175 S N -2.700 112.683 115.700 -0.527 0.000 1.831 175 S HA -0.272 4.198 4.470 -0.001 0.000 0.238 175 S C 0.798 175.275 174.600 -0.204 0.000 0.971 175 S CA 2.543 60.507 58.200 -0.392 0.000 1.450 175 S CB -2.644 60.259 63.200 -0.495 0.000 1.824 175 S HN 2.461 nan 8.310 nan 0.000 0.543 176 T N -0.600 113.887 114.554 -0.112 0.000 2.943 176 T HA 0.765 5.114 4.350 -0.001 0.000 0.284 176 T C 1.005 175.771 174.700 0.110 0.000 1.015 176 T CA -0.185 61.945 62.100 0.050 0.000 1.042 176 T CB 1.627 70.620 68.868 0.208 0.000 1.055 176 T HN 0.377 nan 8.240 nan 0.000 0.500 177 M N 0.363 120.017 119.600 0.089 0.000 2.123 177 M HA 0.155 4.635 4.480 -0.001 0.000 0.263 177 M C -0.461 175.781 176.300 -0.097 0.000 1.069 177 M CA 1.114 56.386 55.300 -0.046 0.000 1.133 177 M CB 0.013 32.520 32.600 -0.154 0.000 1.356 177 M HN 0.689 nan 8.290 nan 0.000 0.415 178 Y N 0.560 120.987 120.300 0.211 0.000 2.327 178 Y HA 0.166 4.716 4.550 -0.001 0.000 0.336 178 Y C 0.207 176.354 175.900 0.411 0.000 1.035 178 Y CA -0.759 57.488 58.100 0.244 0.000 1.165 178 Y CB 0.253 38.844 38.460 0.218 0.000 1.181 178 Y HN 0.062 nan 8.280 nan 0.000 0.494 179 H N 4.269 123.566 119.070 0.378 0.000 2.764 179 H HA 0.018 4.574 4.556 -0.001 0.000 0.341 179 H C 1.047 176.452 175.328 0.129 0.000 1.072 179 H CA 0.344 56.599 56.048 0.345 0.000 1.444 179 H CB 1.191 31.090 29.762 0.229 0.000 1.458 179 H HN 0.839 nan 8.280 nan 0.000 0.572 180 K N 3.050 123.282 120.400 -0.280 0.000 2.074 180 K HA -0.181 4.139 4.320 -0.001 0.000 0.209 180 K C 0.783 177.248 176.600 -0.225 0.000 1.048 180 K CA 2.063 58.037 56.287 -0.522 0.000 0.926 180 K CB 0.190 31.897 32.500 -1.322 0.000 0.713 180 K HN 0.587 nan 8.250 nan 0.000 0.444 181 D N 0.656 121.126 120.400 0.118 0.000 2.310 181 D HA -0.100 4.540 4.640 -0.001 0.000 0.212 181 D C 0.799 177.090 176.300 -0.015 0.000 0.965 181 D CA 0.880 54.911 54.000 0.053 0.000 0.879 181 D CB -0.027 40.823 40.800 0.083 0.000 0.921 181 D HN 0.293 nan 8.370 nan 0.000 0.510 182 D N -0.244 120.169 120.400 0.022 0.000 2.350 182 D HA 0.077 4.716 4.640 -0.001 0.000 0.213 182 D C 0.892 177.103 176.300 -0.148 0.000 1.031 182 D CA -0.082 53.896 54.000 -0.037 0.000 0.861 182 D CB 0.500 41.327 40.800 0.045 0.000 0.926 182 D HN 0.205 nan 8.370 nan 0.000 0.520 183 L N 1.651 122.736 121.223 -0.231 0.000 2.482 183 L HA 0.085 4.424 4.340 -0.001 0.000 0.273 183 L C -1.171 175.358 176.870 -0.568 0.000 1.228 183 L CA -1.030 53.535 54.840 -0.459 0.000 0.827 183 L CB 0.259 42.022 42.059 -0.493 0.000 1.099 183 L HN -0.141 nan 8.230 nan 0.000 0.494 184 P HA 0.092 nan 4.420 nan 0.000 0.255 184 P C -0.961 175.953 177.300 -0.643 0.000 1.301 184 P CA 0.408 63.061 63.100 -0.745 0.000 0.817 184 P CB -0.074 31.192 31.700 -0.723 0.000 1.259 185 F N -2.845 117.035 119.950 -0.117 0.000 2.693 185 F HA 0.516 5.042 4.527 -0.001 0.000 0.309 185 F C -0.603 175.129 175.800 -0.113 0.000 1.129 185 F CA -2.423 55.523 58.000 -0.090 0.000 0.948 185 F CB 0.023 38.988 39.000 -0.059 0.000 1.315 185 F HN -0.374 nan 8.300 nan 0.000 0.447 186 D N 0.392 120.891 120.400 0.165 0.000 2.339 186 D HA 0.352 4.992 4.640 -0.001 0.000 0.245 186 D C 1.267 177.645 176.300 0.129 0.000 1.115 186 D CA -0.162 53.879 54.000 0.068 0.000 0.917 186 D CB 1.811 42.610 40.800 -0.001 0.000 1.192 186 D HN 0.625 nan 8.370 nan 0.000 0.428 187 V N 1.316 121.275 119.914 0.074 0.000 2.594 187 V HA -0.170 3.950 4.120 -0.001 0.000 0.253 187 V C 1.908 178.112 176.094 0.184 0.000 1.069 187 V CA 1.145 63.498 62.300 0.089 0.000 1.082 187 V CB -1.076 30.798 31.823 0.085 0.000 0.680 187 V HN 0.506 nan 8.190 nan 0.000 0.469 188 F N 1.759 121.684 119.950 -0.041 0.000 2.269 188 F HA -0.016 4.511 4.527 -0.001 0.000 0.301 188 F C 1.683 177.446 175.800 -0.061 0.000 1.082 188 F CA 1.617 59.593 58.000 -0.039 0.000 1.360 188 F CB -0.680 38.308 39.000 -0.020 0.000 1.041 188 F HN 0.339 nan 8.300 nan 0.000 0.512 189 D N -0.405 120.053 120.400 0.097 0.000 2.525 189 D HA 0.112 4.751 4.640 -0.001 0.000 0.229 189 D C -0.123 176.021 176.300 -0.261 0.000 1.202 189 D CA -0.137 53.842 54.000 -0.036 0.000 0.828 189 D CB 0.098 40.910 40.800 0.019 0.000 1.008 189 D HN -0.067 nan 8.370 nan 0.000 0.493 190 L N 1.657 122.719 121.223 -0.268 0.000 2.540 190 L HA 0.205 4.544 4.340 -0.001 0.000 0.276 190 L C -2.162 174.511 176.870 -0.329 0.000 1.212 190 L CA -1.197 53.376 54.840 -0.444 0.000 0.893 190 L CB 0.253 42.161 42.059 -0.251 0.000 1.138 190 L HN -0.107 nan 8.230 nan 0.000 0.491 191 P HA 0.018 nan 4.420 nan 0.000 0.266 191 P C -0.483 176.833 177.300 0.026 0.000 1.195 191 P CA 0.094 63.106 63.100 -0.147 0.000 0.768 191 P CB 0.484 32.111 31.700 -0.121 0.000 0.838 192 D N 0.630 121.049 120.400 0.032 0.000 2.349 192 D HA 0.019 4.659 4.640 -0.001 0.000 0.224 192 D C 0.091 176.489 176.300 0.163 0.000 1.029 192 D CA 0.797 54.862 54.000 0.110 0.000 0.879 192 D CB 0.195 41.023 40.800 0.046 0.000 0.906 192 D HN 0.065 nan 8.370 nan 0.000 0.528 193 V N 1.861 121.823 119.914 0.080 0.000 2.384 193 V HA 0.045 4.164 4.120 -0.001 0.000 0.287 193 V C 0.831 176.837 176.094 -0.145 0.000 1.020 193 V CA -0.908 61.416 62.300 0.040 0.000 0.850 193 V CB 1.550 33.388 31.823 0.024 0.000 0.987 193 V HN 0.036 nan 8.190 nan 0.000 0.436 194 Y N 4.593 124.605 120.300 -0.480 0.000 2.102 194 Y HA -0.310 4.239 4.550 -0.001 0.000 0.280 194 Y C 2.325 177.884 175.900 -0.568 0.000 1.178 194 Y CA 2.743 60.205 58.100 -1.063 0.000 1.146 194 Y CB -0.228 37.349 38.460 -1.471 0.000 0.968 194 Y HN 0.664 nan 8.280 nan 0.000 0.504 195 T N 1.041 115.399 114.554 -0.325 0.000 2.699 195 T HA -0.233 4.117 4.350 -0.001 0.000 0.268 195 T C 1.729 176.257 174.700 -0.286 0.000 1.036 195 T CA 1.656 63.592 62.100 -0.273 0.000 1.147 195 T CB -0.225 68.648 68.868 0.009 0.000 0.862 195 T HN 0.435 nan 8.240 nan 0.000 0.446 196 Q N 0.024 119.707 119.800 -0.194 0.000 2.050 196 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 196 Q C 2.104 178.015 176.000 -0.149 0.000 0.980 196 Q CA 1.223 56.948 55.803 -0.131 0.000 0.840 196 Q CB -0.655 28.039 28.738 -0.072 0.000 0.898 196 Q HN 0.602 nan 8.270 nan 0.000 0.424 197 F N 1.802 121.534 119.950 -0.364 0.000 2.069 197 F HA -0.219 4.307 4.527 -0.001 0.000 0.298 197 F C 2.606 178.168 175.800 -0.397 0.000 1.113 197 F CA 1.899 59.719 58.000 -0.299 0.000 1.214 197 F CB -0.264 38.527 39.000 -0.349 0.000 0.978 197 F HN -0.044 nan 8.300 nan 0.000 0.474 198 R N 0.649 120.645 120.500 -0.841 0.000 2.083 198 R HA -0.209 4.131 4.340 -0.001 0.000 0.237 198 R C 2.290 178.266 176.300 -0.540 0.000 1.137 198 R CA 2.140 57.712 56.100 -0.880 0.000 0.951 198 R CB -0.342 29.329 30.300 -1.047 0.000 0.851 198 R HN 0.295 nan 8.270 nan 0.000 0.434 199 K N -0.189 119.987 120.400 -0.373 0.000 2.097 199 K HA -0.069 4.251 4.320 -0.001 0.000 0.206 199 K C 2.235 178.698 176.600 -0.229 0.000 1.049 199 K CA 1.824 57.981 56.287 -0.217 0.000 0.933 199 K CB -0.012 32.407 32.500 -0.135 0.000 0.717 199 K HN 0.123 nan 8.250 nan 0.000 0.442 200 S N 0.590 116.135 115.700 -0.258 0.000 2.355 200 S HA -0.129 4.340 4.470 -0.001 0.000 0.222 200 S C 2.205 176.567 174.600 -0.397 0.000 1.031 200 S CA 1.539 59.600 58.200 -0.233 0.000 0.993 200 S CB -0.327 62.843 63.200 -0.050 0.000 0.859 200 S HN 0.302 nan 8.310 nan 0.000 0.453 201 V N 0.787 120.320 119.914 -0.636 0.000 2.358 201 V HA -0.106 4.014 4.120 -0.001 0.000 0.246 201 V C 1.932 177.663 176.094 -0.604 0.000 1.047 201 V CA 1.598 63.370 62.300 -0.879 0.000 1.035 201 V CB -1.017 29.907 31.823 -1.499 0.000 0.658 201 V HN 0.369 nan 8.190 nan 0.000 0.452 202 E N 1.185 121.155 120.200 -0.383 0.000 2.118 202 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 202 E C 2.303 178.859 176.600 -0.074 0.000 0.992 202 E CA 1.589 57.925 56.400 -0.107 0.000 0.804 202 E CB -0.295 29.389 29.700 -0.027 0.000 0.741 202 E HN 0.748 nan 8.360 nan 0.000 0.458 203 A N 0.862 123.607 122.820 -0.125 0.000 1.943 203 A HA -0.040 4.280 4.320 -0.001 0.000 0.213 203 A C 1.781 179.306 177.584 -0.098 0.000 1.181 203 A CA 0.798 52.784 52.037 -0.086 0.000 0.653 203 A CB 0.169 19.119 19.000 -0.085 0.000 0.833 203 A HN -0.007 nan 8.150 nan 0.000 0.451 204 K N -2.286 118.016 120.400 -0.163 0.000 2.380 204 K HA 0.229 4.549 4.320 -0.001 0.000 0.198 204 K C -0.204 176.294 176.600 -0.170 0.000 1.070 204 K CA -0.092 56.096 56.287 -0.165 0.000 1.040 204 K CB 0.569 32.941 32.500 -0.212 0.000 0.903 204 K HN 0.367 nan 8.250 nan 0.000 0.549 205 C N 0.814 120.004 119.300 -0.183 0.000 2.529 205 C HA 0.550 5.010 4.460 -0.001 0.000 0.329 205 C C -0.296 174.739 174.990 0.075 0.000 1.194 205 C CA -0.410 58.536 59.018 -0.120 0.000 1.779 205 C CB 1.388 28.931 27.740 -0.328 0.000 2.322 205 C HN 0.249 nan 8.230 nan 0.000 0.500 206 S N 3.060 118.826 115.700 0.111 0.000 2.549 206 S HA 0.622 5.091 4.470 -0.001 0.000 0.297 206 S C -0.668 173.995 174.600 0.104 0.000 1.115 206 S CA -0.357 57.908 58.200 0.108 0.000 1.059 206 S CB 1.030 64.264 63.200 0.058 0.000 1.046 206 S HN 0.601 nan 8.310 nan 0.000 0.506 207 I N 2.712 123.240 120.570 -0.071 0.000 2.342 207 I HA 0.288 4.457 4.170 -0.001 0.000 0.291 207 I C 0.654 176.745 176.117 -0.043 0.000 1.010 207 I CA -0.465 60.690 61.300 -0.242 0.000 1.308 207 I CB 0.732 38.293 38.000 -0.732 0.000 1.400 207 I HN 0.398 nan 8.210 nan 0.000 0.488 208 R N 3.787 124.297 120.500 0.018 0.000 2.594 208 R HA 0.251 4.591 4.340 -0.001 0.000 0.272 208 R C 0.051 176.412 176.300 0.103 0.000 1.074 208 R CA -0.413 55.727 56.100 0.067 0.000 1.105 208 R CB 0.580 30.927 30.300 0.079 0.000 1.008 208 R HN 0.568 nan 8.270 nan 0.000 0.472 209 S N 1.325 117.092 115.700 0.111 0.000 2.568 209 S HA -0.021 4.449 4.470 -0.001 0.000 0.282 209 S C 0.269 174.941 174.600 0.121 0.000 1.338 209 S CA -0.433 57.849 58.200 0.136 0.000 1.045 209 S CB 0.658 63.924 63.200 0.111 0.000 0.873 209 S HN 0.667 nan 8.310 nan 0.000 0.516 210 S N 2.510 118.300 115.700 0.150 0.000 2.560 210 S HA 0.135 4.604 4.470 -0.001 0.000 0.284 210 S C 0.104 174.752 174.600 0.080 0.000 1.327 210 S CA -0.705 57.566 58.200 0.118 0.000 1.055 210 S CB 0.052 63.322 63.200 0.117 0.000 0.868 210 S HN 0.586 nan 8.310 nan 0.000 0.506 211 T N 4.701 119.275 114.554 0.034 0.000 2.834 211 T HA 0.209 4.559 4.350 -0.001 0.000 0.298 211 T C 0.292 174.981 174.700 -0.018 0.000 0.966 211 T CA -0.393 61.680 62.100 -0.044 0.000 1.141 211 T CB -0.015 68.809 68.868 -0.073 0.000 0.905 211 T HN 0.466 nan 8.240 nan 0.000 0.535 212 R N 3.135 123.613 120.500 -0.037 0.000 2.308 212 R HA 0.418 4.758 4.340 -0.001 0.000 0.305 212 R C -0.256 176.048 176.300 0.006 0.000 1.053 212 R CA -0.702 55.412 56.100 0.024 0.000 0.957 212 R CB 0.548 30.875 30.300 0.047 0.000 1.022 212 R HN 0.469 nan 8.270 nan 0.000 0.461 213 I N 4.860 125.426 120.570 -0.006 0.000 2.404 213 I HA 0.344 4.514 4.170 -0.001 0.000 0.293 213 I C -2.066 173.949 176.117 -0.169 0.000 0.992 213 I CA -3.159 58.089 61.300 -0.086 0.000 1.149 213 I CB 1.463 39.394 38.000 -0.115 0.000 1.315 213 I HN 0.217 nan 8.210 nan 0.000 0.446 214 P HA 0.219 nan 4.420 nan 0.000 0.272 214 P C 0.837 177.983 177.300 -0.257 0.000 1.223 214 P CA -0.338 62.592 63.100 -0.283 0.000 0.784 214 P CB 1.283 32.736 31.700 -0.411 0.000 0.923 215 L N -0.130 121.001 121.223 -0.154 0.000 2.465 215 L HA -0.018 4.321 4.340 -0.001 0.000 0.224 215 L C 1.331 178.123 176.870 -0.131 0.000 1.145 215 L CA 1.194 55.955 54.840 -0.131 0.000 0.834 215 L CB -0.271 41.746 42.059 -0.070 0.000 0.944 215 L HN 0.377 nan 8.230 nan 0.000 0.451 216 S N -0.298 115.324 115.700 -0.130 0.000 2.669 216 S HA 0.472 4.942 4.470 -0.001 0.000 0.315 216 S C 0.277 174.824 174.600 -0.089 0.000 1.106 216 S CA -0.630 57.525 58.200 -0.074 0.000 1.107 216 S CB 0.839 64.037 63.200 -0.003 0.000 0.990 216 S HN 0.167 nan 8.310 nan 0.000 0.471 217 L N 3.942 125.111 121.223 -0.091 0.000 2.766 217 L HA 0.411 4.751 4.340 -0.001 0.000 0.242 217 L C 1.564 178.528 176.870 0.156 0.000 1.136 217 L CA -0.304 54.507 54.840 -0.049 0.000 0.933 217 L CB -0.044 41.896 42.059 -0.198 0.000 1.241 217 L HN 0.710 nan 8.230 nan 0.000 0.522 218 G N 1.217 110.075 108.800 0.098 0.000 2.684 218 G HA2 0.347 4.307 3.960 -0.001 0.000 0.255 218 G HA3 0.347 4.307 3.960 -0.001 0.000 0.255 218 G C -2.343 172.633 174.900 0.127 0.000 1.219 218 G CA -0.413 44.746 45.100 0.099 0.000 0.901 218 G HN -0.085 nan 8.290 nan 0.000 0.548 219 P HA 0.371 nan 4.420 nan 0.000 0.284 219 P C -0.114 177.251 177.300 0.108 0.000 1.287 219 P CA -0.393 62.763 63.100 0.093 0.000 0.824 219 P CB 1.503 33.252 31.700 0.082 0.000 1.180 220 T N -3.024 111.612 114.554 0.136 0.000 2.944 220 T HA 0.614 4.964 4.350 -0.001 0.000 0.284 220 T C -2.424 172.367 174.700 0.151 0.000 1.010 220 T CA -2.025 60.180 62.100 0.175 0.000 1.025 220 T CB 0.053 69.118 68.868 0.329 0.000 1.079 220 T HN 0.184 nan 8.240 nan 0.000 0.516 221 P HA 0.262 nan 4.420 nan 0.000 0.273 221 P C -0.380 176.997 177.300 0.127 0.000 1.250 221 P CA -0.568 62.599 63.100 0.111 0.000 0.793 221 P CB 0.263 31.991 31.700 0.046 0.000 1.011 222 S N 0.446 116.244 115.700 0.163 0.000 2.443 222 S HA 0.235 4.705 4.470 -0.001 0.000 0.284 222 S C -0.414 174.229 174.600 0.072 0.000 1.206 222 S CA -0.377 57.885 58.200 0.104 0.000 1.074 222 S CB -1.033 62.216 63.200 0.081 0.000 0.963 222 S HN 0.170 nan 8.310 nan 0.000 0.501 223 V N 6.046 125.879 119.914 -0.134 0.000 2.487 223 V HA 0.308 4.428 4.120 -0.001 0.000 0.298 223 V C 0.405 176.286 176.094 -0.356 0.000 1.028 223 V CA -0.763 61.317 62.300 -0.368 0.000 0.860 223 V CB 1.905 33.051 31.823 -1.129 0.000 0.991 223 V HN 0.781 nan 8.190 nan 0.000 0.427 224 D N 1.897 122.167 120.400 -0.215 0.000 2.091 224 D HA -0.023 4.616 4.640 -0.001 0.000 0.199 224 D C 0.491 176.700 176.300 -0.152 0.000 0.980 224 D CA 1.496 55.414 54.000 -0.135 0.000 0.831 224 D CB 0.340 41.093 40.800 -0.077 0.000 0.987 224 D HN 0.643 nan 8.370 nan 0.000 0.460 225 D N -1.256 119.035 120.400 -0.182 0.000 2.471 225 D HA 0.112 4.752 4.640 -0.001 0.000 0.245 225 D C -0.057 176.169 176.300 -0.124 0.000 1.116 225 D CA -0.639 53.306 54.000 -0.092 0.000 0.853 225 D CB 0.395 41.182 40.800 -0.022 0.000 1.123 225 D HN -0.056 nan 8.370 nan 0.000 0.540 226 W N 3.361 124.687 121.300 0.043 0.000 2.595 226 W HA 0.221 4.881 4.660 -0.000 0.000 0.257 226 W C 1.336 177.879 176.519 0.041 0.000 1.267 226 W CA 0.730 58.099 57.345 0.039 0.000 1.300 226 W CB 0.276 29.752 29.460 0.026 0.000 1.120 226 W HN 0.707 nan 8.180 nan 0.000 0.618 227 G N 1.259 110.187 108.800 0.213 0.000 2.895 227 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.686 227 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.686 227 G C -0.832 174.143 174.900 0.126 0.000 1.108 227 G CA -1.112 44.073 45.100 0.142 0.000 0.761 227 G HN -0.116 nan 8.290 nan 0.000 0.611 228 D N -0.235 120.215 120.400 0.084 0.000 2.362 228 D HA 0.368 5.008 4.640 -0.001 0.000 0.242 228 D C 1.066 177.398 176.300 0.052 0.000 1.132 228 D CA -0.092 53.943 54.000 0.059 0.000 0.907 228 D CB 1.587 42.410 40.800 0.039 0.000 1.195 228 D HN 0.397 nan 8.370 nan 0.000 0.429 229 V N 4.487 124.418 119.914 0.029 0.000 2.479 229 V HA 0.112 4.232 4.120 -0.001 0.000 0.281 229 V C -1.603 174.495 176.094 0.007 0.000 1.031 229 V CA -1.026 61.281 62.300 0.013 0.000 1.038 229 V CB 0.368 32.179 31.823 -0.019 0.000 0.981 229 V HN 0.462 nan 8.190 nan 0.000 0.478 230 P HA 0.193 nan 4.420 nan 0.000 0.271 230 P C -0.084 177.195 177.300 -0.036 0.000 1.218 230 P CA -0.158 62.933 63.100 -0.014 0.000 0.780 230 P CB 0.523 32.208 31.700 -0.025 0.000 0.901 231 T N -0.821 113.709 114.554 -0.040 0.000 2.913 231 T HA 0.262 4.611 4.350 -0.001 0.000 0.287 231 T C 1.577 176.235 174.700 -0.070 0.000 1.008 231 T CA -0.800 61.276 62.100 -0.039 0.000 1.067 231 T CB 0.435 69.289 68.868 -0.023 0.000 0.996 231 T HN 0.216 nan 8.240 nan 0.000 0.513 232 L N 0.658 121.851 121.223 -0.051 0.000 2.131 232 L HA -0.096 4.244 4.340 -0.001 0.000 0.210 232 L C 2.930 179.768 176.870 -0.054 0.000 1.092 232 L CA 1.507 56.311 54.840 -0.061 0.000 0.759 232 L CB -0.642 41.423 42.059 0.010 0.000 0.903 232 L HN 0.816 nan 8.230 nan 0.000 0.435 233 E N 0.335 120.520 120.200 -0.027 0.000 2.085 233 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 233 E C 2.155 178.740 176.600 -0.025 0.000 0.994 233 E CA 1.228 57.620 56.400 -0.012 0.000 0.801 233 E CB -0.046 29.653 29.700 -0.003 0.000 0.743 233 E HN 0.417 nan 8.360 nan 0.000 0.453 234 K N 0.453 120.828 120.400 -0.042 0.000 2.152 234 K HA -0.106 4.214 4.320 -0.001 0.000 0.206 234 K C 1.833 178.390 176.600 -0.072 0.000 1.048 234 K CA 0.855 57.114 56.287 -0.046 0.000 0.933 234 K CB -0.037 32.435 32.500 -0.047 0.000 0.721 234 K HN 0.142 nan 8.250 nan 0.000 0.447 235 L N -0.468 120.673 121.223 -0.138 0.000 2.599 235 L HA 0.096 4.436 4.340 -0.001 0.000 0.230 235 L C 1.125 177.953 176.870 -0.069 0.000 1.141 235 L CA 0.344 55.059 54.840 -0.210 0.000 0.877 235 L CB 0.044 41.751 42.059 -0.587 0.000 1.009 235 L HN 0.444 nan 8.230 nan 0.000 0.447 236 G N -0.120 108.671 108.800 -0.015 0.000 2.175 236 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.244 236 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.244 236 G C 0.130 175.071 174.900 0.068 0.000 0.982 236 G CA -0.034 45.092 45.100 0.043 0.000 0.641 236 G HN 0.104 nan 8.290 nan 0.000 0.527 237 V N 0.641 120.590 119.914 0.058 0.000 2.427 237 V HA 0.616 4.735 4.120 -0.001 0.000 0.286 237 V C 0.349 176.481 176.094 0.064 0.000 1.034 237 V CA -0.770 61.586 62.300 0.093 0.000 0.893 237 V CB 1.802 33.712 31.823 0.146 0.000 0.982 237 V HN 0.355 nan 8.190 nan 0.000 0.452 238 E N 6.613 126.855 120.200 0.069 0.000 2.194 238 E HA 0.388 4.737 4.350 -0.001 0.000 0.284 238 E C -2.507 174.127 176.600 0.056 0.000 1.035 238 E CA -1.819 54.614 56.400 0.055 0.000 0.836 238 E CB 1.044 30.776 29.700 0.054 0.000 1.070 238 E HN 0.434 nan 8.360 nan 0.000 0.401 239 P HA 0.038 nan 4.420 nan 0.000 0.268 239 P C -1.240 176.088 177.300 0.048 0.000 1.205 239 P CA 0.027 63.155 63.100 0.047 0.000 0.771 239 P CB 0.500 32.221 31.700 0.035 0.000 0.858 240 Q N 0.748 120.580 119.800 0.052 0.000 2.337 240 Q HA 0.556 4.896 4.340 -0.001 0.000 0.270 240 Q C -0.719 175.313 176.000 0.054 0.000 1.043 240 Q CA -0.596 55.238 55.803 0.051 0.000 0.794 240 Q CB 1.410 30.180 28.738 0.053 0.000 1.281 240 Q HN 0.470 nan 8.270 nan 0.000 0.446 241 E N 1.780 122.011 120.200 0.051 0.000 2.242 241 E HA 0.452 4.802 4.350 -0.001 0.000 0.275 241 E C -0.837 175.804 176.600 0.067 0.000 1.002 241 E CA -0.600 55.832 56.400 0.054 0.000 0.841 241 E CB 1.705 31.430 29.700 0.041 0.000 1.109 241 E HN 0.507 nan 8.360 nan 0.000 0.394 242 V N 3.066 123.028 119.914 0.080 0.000 2.415 242 V HA 0.166 4.286 4.120 -0.001 0.000 0.267 242 V C 1.578 177.721 176.094 0.082 0.000 1.042 242 V CA 0.752 63.114 62.300 0.103 0.000 1.000 242 V CB 0.300 32.200 31.823 0.128 0.000 1.015 242 V HN 0.998 nan 8.190 nan 0.000 0.478 243 T N 2.230 116.836 114.554 0.087 0.000 3.065 243 T HA 0.218 4.568 4.350 -0.001 0.000 0.252 243 T C 0.651 175.371 174.700 0.034 0.000 1.099 243 T CA 0.030 62.161 62.100 0.051 0.000 1.063 243 T CB 0.346 69.243 68.868 0.048 0.000 0.948 243 T HN 0.535 nan 8.240 nan 0.000 0.506 244 R N -0.696 119.854 120.500 0.084 0.000 2.634 244 R HA 0.490 4.830 4.340 -0.001 0.000 0.263 244 R C -0.078 176.333 176.300 0.185 0.000 1.060 244 R CA 0.292 56.401 56.100 0.015 0.000 0.898 244 R CB 1.037 31.241 30.300 -0.160 0.000 1.253 244 R HN 0.412 nan 8.270 nan 0.000 0.461 245 G N 2.363 111.253 108.800 0.149 0.000 2.542 245 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.235 245 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.235 245 G C -0.543 174.532 174.900 0.292 0.000 1.286 245 G CA -0.123 45.218 45.100 0.401 0.000 0.904 245 G HN 0.532 nan 8.290 nan 0.000 0.577 246 M N 0.806 120.611 119.600 0.341 0.000 2.200 246 M HA 0.380 4.860 4.480 -0.001 0.000 0.355 246 M C 0.766 177.130 176.300 0.107 0.000 1.283 246 M CA -0.124 55.248 55.300 0.121 0.000 1.124 246 M CB 0.967 33.522 32.600 -0.074 0.000 1.625 246 M HN 0.437 nan 8.290 nan 0.000 0.463 247 R N 4.351 124.856 120.500 0.009 0.000 2.335 247 R HA 0.345 4.684 4.340 -0.001 0.000 0.302 247 R C -1.720 174.615 176.300 0.059 0.000 1.147 247 R CA -0.324 55.828 56.100 0.087 0.000 1.111 247 R CB 0.044 30.388 30.300 0.073 0.000 1.122 247 R HN 0.523 nan 8.270 nan 0.000 0.557 248 F N 2.198 122.197 119.950 0.082 0.000 2.484 248 F HA 0.143 4.669 4.527 -0.001 0.000 0.360 248 F C 0.819 176.753 175.800 0.223 0.000 1.101 248 F CA -0.048 58.016 58.000 0.107 0.000 1.251 248 F CB 1.053 39.986 39.000 -0.113 0.000 1.132 248 F HN 0.007 nan 8.300 nan 0.000 0.570 249 V N 3.483 123.674 119.914 0.462 0.000 2.370 249 V HA 0.442 4.561 4.120 -0.001 0.000 0.283 249 V C 0.587 176.777 176.094 0.160 0.000 1.023 249 V CA -0.931 61.533 62.300 0.273 0.000 0.857 249 V CB 1.013 32.974 31.823 0.231 0.000 0.985 249 V HN 0.908 nan 8.190 nan 0.000 0.443 250 G N 2.920 111.438 108.800 -0.470 0.000 2.483 250 G HA2 0.566 4.525 3.960 -0.001 0.000 0.248 250 G HA3 0.566 4.525 3.960 -0.001 0.000 0.248 250 G C 0.272 174.955 174.900 -0.362 0.000 1.248 250 G CA 0.512 44.908 45.100 -1.173 0.000 0.838 250 G HN 1.552 nan 8.290 nan 0.000 0.566 251 G N 0.462 109.150 108.800 -0.186 0.000 2.525 251 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.685 251 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.685 251 G C 0.407 175.370 174.900 0.106 0.000 1.285 251 G CA 0.362 45.440 45.100 -0.037 0.000 0.849 251 G HN 0.826 nan 8.290 nan 0.000 0.653 252 E N 0.111 120.328 120.200 0.029 0.000 2.097 252 E HA -0.157 4.193 4.350 -0.001 0.000 0.196 252 E C 2.457 178.992 176.600 -0.109 0.000 1.000 252 E CA 2.192 58.582 56.400 -0.018 0.000 0.804 252 E CB -0.165 29.545 29.700 0.016 0.000 0.740 252 E HN 0.487 nan 8.360 nan 0.000 0.454 253 S N 0.546 116.206 115.700 -0.067 0.000 2.353 253 S HA -0.210 4.260 4.470 -0.001 0.000 0.222 253 S C 2.101 176.585 174.600 -0.193 0.000 1.035 253 S CA 1.206 59.325 58.200 -0.135 0.000 1.025 253 S CB -0.425 62.729 63.200 -0.077 0.000 0.902 253 S HN 0.524 nan 8.310 nan 0.000 0.440 254 A N 1.489 124.230 122.820 -0.132 0.000 1.933 254 A HA 0.080 4.400 4.320 -0.001 0.000 0.218 254 A C 2.330 179.565 177.584 -0.581 0.000 1.175 254 A CA 1.746 53.693 52.037 -0.151 0.000 0.628 254 A CB -1.425 17.659 19.000 0.139 0.000 0.814 254 A HN 0.524 nan 8.150 nan 0.000 0.444 255 G N -0.068 108.202 108.800 -0.884 0.000 2.421 255 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.216 255 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.216 255 G C 1.636 176.064 174.900 -0.787 0.000 1.171 255 G CA 1.999 46.210 45.100 -1.483 0.000 0.775 255 G HN 1.035 nan 8.290 nan 0.000 0.543 256 V N -0.391 119.225 119.914 -0.497 0.000 2.626 256 V HA 0.109 4.229 4.120 -0.001 0.000 0.252 256 V C 2.669 178.642 176.094 -0.201 0.000 1.067 256 V CA 1.893 63.997 62.300 -0.327 0.000 1.081 256 V CB -1.117 30.475 31.823 -0.386 0.000 0.686 256 V HN 0.286 nan 8.190 nan 0.000 0.468 257 G N 0.572 109.227 108.800 -0.242 0.000 2.440 257 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.218 257 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.218 257 G C 1.687 176.565 174.900 -0.036 0.000 1.154 257 G CA 1.048 46.092 45.100 -0.094 0.000 0.767 257 G HN 0.542 nan 8.290 nan 0.000 0.552 258 R N 0.361 120.715 120.500 -0.243 0.000 2.075 258 R HA 0.040 4.380 4.340 -0.001 0.000 0.232 258 R C 2.591 178.898 176.300 0.012 0.000 1.126 258 R CA 1.372 57.389 56.100 -0.139 0.000 0.963 258 R CB -0.954 29.132 30.300 -0.357 0.000 0.858 258 R HN 0.217 nan 8.270 nan 0.000 0.435 259 V N 0.880 120.665 119.914 -0.214 0.000 2.287 259 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 259 V C 2.094 178.156 176.094 -0.052 0.000 1.053 259 V CA 2.051 64.132 62.300 -0.365 0.000 1.027 259 V CB -0.783 30.748 31.823 -0.487 0.000 0.646 259 V HN 0.315 nan 8.190 nan 0.000 0.447 260 F N 1.146 121.116 119.950 0.032 0.000 2.102 260 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 260 F C 2.483 178.431 175.800 0.246 0.000 1.105 260 F CA 2.321 60.467 58.000 0.244 0.000 1.239 260 F CB -0.361 38.706 39.000 0.113 0.000 0.991 260 F HN 0.237 nan 8.300 nan 0.000 0.474 261 E N -1.168 119.063 120.200 0.051 0.000 2.038 261 E HA -0.316 4.033 4.350 -0.001 0.000 0.195 261 E C 2.286 178.891 176.600 0.009 0.000 1.000 261 E CA 1.705 58.085 56.400 -0.034 0.000 0.803 261 E CB -0.639 29.107 29.700 0.077 0.000 0.750 261 E HN 0.575 nan 8.360 nan 0.000 0.448 262 Y N -0.166 120.130 120.300 -0.005 0.000 2.184 262 Y HA -0.187 4.362 4.550 -0.001 0.000 0.290 262 Y C 1.831 177.796 175.900 0.109 0.000 1.129 262 Y CA 1.540 59.663 58.100 0.038 0.000 1.144 262 Y CB -0.236 38.258 38.460 0.055 0.000 0.995 262 Y HN 0.079 nan 8.280 nan 0.000 0.513 263 F N -1.506 118.337 119.950 -0.178 0.000 2.053 263 F HA -0.132 4.394 4.527 -0.001 0.000 0.292 263 F C 1.937 177.455 175.800 -0.470 0.000 1.125 263 F CA 1.173 58.843 58.000 -0.551 0.000 1.193 263 F CB -1.594 37.000 39.000 -0.676 0.000 0.996 263 F HN 0.113 nan 8.300 nan 0.000 0.470 264 W N 0.186 121.515 121.300 0.049 0.000 2.601 264 W HA 0.100 4.760 4.660 -0.001 0.000 0.292 264 W C 2.522 178.887 176.519 -0.256 0.000 1.153 264 W CA 0.559 57.863 57.345 -0.068 0.000 1.448 264 W CB -0.852 28.536 29.460 -0.119 0.000 1.113 264 W HN -0.170 nan 8.180 nan 0.000 0.548 265 K N 1.127 121.322 120.400 -0.341 0.000 2.026 265 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 265 K C 1.630 178.167 176.600 -0.106 0.000 1.048 265 K CA 1.689 57.812 56.287 -0.273 0.000 0.929 265 K CB -0.133 32.148 32.500 -0.364 0.000 0.713 265 K HN 0.013 nan 8.250 nan 0.000 0.439 266 K N -0.393 119.940 120.400 -0.113 0.000 2.352 266 K HA -0.020 4.299 4.320 -0.001 0.000 0.194 266 K C -0.072 176.463 176.600 -0.109 0.000 1.038 266 K CA 0.523 56.754 56.287 -0.094 0.000 1.023 266 K CB 0.467 32.909 32.500 -0.096 0.000 0.840 266 K HN 0.148 nan 8.250 nan 0.000 0.519 267 D N 0.410 120.745 120.400 -0.108 0.000 2.870 267 D HA -0.173 4.467 4.640 -0.001 0.000 0.228 267 D C 0.190 176.395 176.300 -0.159 0.000 1.147 267 D CA 0.441 54.408 54.000 -0.055 0.000 0.757 267 D CB -1.181 39.616 40.800 -0.005 0.000 1.091 267 D HN 0.195 nan 8.370 nan 0.000 0.429 268 L N -0.527 120.460 121.223 -0.393 0.000 2.477 268 L HA 0.057 4.397 4.340 -0.001 0.000 0.220 268 L C 2.347 178.898 176.870 -0.533 0.000 1.106 268 L CA -0.082 54.463 54.840 -0.491 0.000 0.851 268 L CB -0.122 41.508 42.059 -0.713 0.000 0.994 268 L HN 0.186 nan 8.230 nan 0.000 0.462 269 L N 1.349 122.147 121.223 -0.708 0.000 2.081 269 L HA -0.235 4.105 4.340 -0.001 0.000 0.212 269 L C 2.538 179.231 176.870 -0.296 0.000 1.080 269 L CA 1.898 56.368 54.840 -0.616 0.000 0.754 269 L CB -0.568 40.644 42.059 -1.411 0.000 0.893 269 L HN 0.324 nan 8.230 nan 0.000 0.433 270 K N -0.801 119.488 120.400 -0.184 0.000 2.442 270 K HA -0.033 4.286 4.320 -0.001 0.000 0.198 270 K C 1.089 177.700 176.600 0.018 0.000 1.042 270 K CA 1.396 57.690 56.287 0.012 0.000 0.958 270 K CB -0.373 32.189 32.500 0.104 0.000 0.766 270 K HN 0.387 nan 8.250 nan 0.000 0.474 271 V N -3.008 116.909 119.914 0.006 0.000 3.380 271 V HA 0.116 4.236 4.120 -0.001 0.000 0.307 271 V C 1.687 177.823 176.094 0.070 0.000 1.434 271 V CA -0.629 61.684 62.300 0.022 0.000 1.075 271 V CB -0.935 30.888 31.823 -0.000 0.000 0.954 271 V HN 0.236 nan 8.190 nan 0.000 0.444 272 Y N 2.444 122.759 120.300 0.026 0.000 2.114 272 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 272 Y C 2.435 178.385 175.900 0.084 0.000 1.165 272 Y CA 2.673 60.846 58.100 0.121 0.000 1.148 272 Y CB -0.087 38.480 38.460 0.177 0.000 0.972 272 Y HN 0.332 nan 8.280 nan 0.000 0.504 273 K N 0.198 120.489 120.400 -0.181 0.000 2.147 273 K HA -0.207 4.113 4.320 -0.001 0.000 0.205 273 K C 1.825 178.215 176.600 -0.348 0.000 1.049 273 K CA 1.878 57.913 56.287 -0.421 0.000 0.936 273 K CB -0.143 32.133 32.500 -0.373 0.000 0.722 273 K HN 0.552 nan 8.250 nan 0.000 0.446 274 E N -0.776 119.309 120.200 -0.192 0.000 2.208 274 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 274 E C 1.600 178.143 176.600 -0.096 0.000 0.988 274 E CA 1.602 57.923 56.400 -0.130 0.000 0.828 274 E CB 0.196 29.852 29.700 -0.073 0.000 0.763 274 E HN 0.479 nan 8.360 nan 0.000 0.478 275 T N -1.488 113.016 114.554 -0.084 0.000 3.001 275 T HA 0.064 4.414 4.350 -0.001 0.000 0.251 275 T C 1.675 176.385 174.700 0.018 0.000 1.040 275 T CA -0.285 61.817 62.100 0.003 0.000 0.985 275 T CB -0.030 68.895 68.868 0.095 0.000 1.011 275 T HN 0.109 nan 8.240 nan 0.000 0.509 276 R N 1.836 122.251 120.500 -0.140 0.000 2.249 276 R HA 0.032 4.372 4.340 -0.001 0.000 0.230 276 R C 0.950 177.243 176.300 -0.011 0.000 1.121 276 R CA 1.635 57.673 56.100 -0.103 0.000 0.997 276 R CB -1.017 28.979 30.300 -0.507 0.000 0.867 276 R HN 0.427 nan 8.270 nan 0.000 0.465 277 N N 0.662 119.300 118.700 -0.104 0.000 2.314 277 N HA 0.089 4.828 4.740 -0.001 0.000 0.200 277 N C 0.299 175.625 175.510 -0.307 0.000 1.135 277 N CA 0.104 53.014 53.050 -0.232 0.000 0.835 277 N CB 0.862 39.189 38.487 -0.267 0.000 0.989 277 N HN 0.346 nan 8.380 nan 0.000 0.478 278 G N -0.141 108.442 108.800 -0.360 0.000 2.634 278 G HA2 0.242 4.202 3.960 -0.001 0.000 0.255 278 G HA3 0.242 4.202 3.960 -0.001 0.000 0.255 278 G C 0.505 174.712 174.900 -1.154 0.000 1.205 278 G CA -0.260 44.465 45.100 -0.625 0.000 0.884 278 G HN 0.130 nan 8.290 nan 0.000 0.549 279 M N -0.854 118.211 119.600 -0.892 0.000 2.260 279 M HA 0.261 4.740 4.480 -0.001 0.000 0.295 279 M C -0.133 176.008 176.300 -0.265 0.000 1.042 279 M CA -0.095 54.731 55.300 -0.790 0.000 1.116 279 M CB 0.692 32.645 32.600 -1.078 0.000 1.796 279 M HN 0.263 nan 8.290 nan 0.000 0.617 280 L N 1.569 122.757 121.223 -0.058 0.000 2.282 280 L HA 0.768 5.107 4.340 -0.001 0.000 0.288 280 L C 0.250 177.241 176.870 0.202 0.000 1.033 280 L CA 0.499 55.470 54.840 0.219 0.000 0.807 280 L CB 0.946 43.093 42.059 0.146 0.000 1.209 280 L HN 0.368 nan 8.230 nan 0.000 0.423 281 G N 4.822 113.731 108.800 0.182 0.000 2.707 281 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.686 281 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.686 281 G C -2.440 172.497 174.900 0.062 0.000 1.315 281 G CA -0.313 44.796 45.100 0.014 0.000 0.832 281 G HN 0.506 nan 8.290 nan 0.000 0.573 282 P HA 0.092 nan 4.420 nan 0.000 0.227 282 P C 0.860 178.049 177.300 -0.184 0.000 1.161 282 P CA 1.361 64.343 63.100 -0.197 0.000 0.788 282 P CB 0.171 31.763 31.700 -0.181 0.000 0.822 283 D N -0.288 120.082 120.400 -0.050 0.000 2.224 283 D HA -0.147 4.492 4.640 -0.001 0.000 0.205 283 D C 1.853 178.232 176.300 0.132 0.000 0.965 283 D CA 0.995 55.032 54.000 0.062 0.000 0.852 283 D CB -0.948 39.890 40.800 0.062 0.000 0.947 283 D HN 0.390 nan 8.370 nan 0.000 0.494 284 Y N 0.499 120.855 120.300 0.094 0.000 2.509 284 Y HA 0.100 4.649 4.550 -0.001 0.000 0.293 284 Y C 0.621 176.606 175.900 0.141 0.000 1.133 284 Y CA 0.361 58.519 58.100 0.096 0.000 1.283 284 Y CB -0.260 38.223 38.460 0.038 0.000 1.001 284 Y HN -0.092 nan 8.280 nan 0.000 0.555 285 S N -1.765 113.736 115.700 -0.333 0.000 2.656 285 S HA 0.281 4.751 4.470 -0.001 0.000 0.273 285 S C 0.757 174.869 174.600 -0.813 0.000 1.168 285 S CA -0.285 57.776 58.200 -0.231 0.000 0.817 285 S CB 1.029 64.152 63.200 -0.127 0.000 1.146 285 S HN 0.343 nan 8.310 nan 0.000 0.475 286 T N -1.320 112.632 114.554 -1.003 0.000 2.788 286 T HA -0.026 4.324 4.350 -0.001 0.000 0.268 286 T C 0.536 174.656 174.700 -0.966 0.000 1.044 286 T CA 1.331 62.413 62.100 -1.696 0.000 1.139 286 T CB -0.899 66.720 68.868 -2.081 0.000 0.867 286 T HN 0.821 nan 8.240 nan 0.000 0.454 287 K N 0.364 120.500 120.400 -0.439 0.000 3.069 287 K HA -0.157 4.163 4.320 -0.001 0.000 0.267 287 K C 0.264 177.116 176.600 0.419 0.000 1.082 287 K CA 0.678 56.970 56.287 0.008 0.000 0.782 287 K CB -2.493 30.001 32.500 -0.009 0.000 1.230 287 K HN 0.486 nan 8.250 nan 0.000 0.488 288 F N 0.553 120.630 119.950 0.212 0.000 2.661 288 F HA -0.057 4.470 4.527 -0.001 0.000 0.298 288 F C 2.489 178.495 175.800 0.343 0.000 1.137 288 F CA 0.838 59.040 58.000 0.335 0.000 1.454 288 F CB -0.743 38.346 39.000 0.149 0.000 1.103 288 F HN 0.201 nan 8.300 nan 0.000 0.577 289 S N 0.595 116.510 115.700 0.358 0.000 2.370 289 S HA -0.137 4.332 4.470 -0.001 0.000 0.226 289 S C -0.417 174.203 174.600 0.033 0.000 1.033 289 S CA 0.980 59.286 58.200 0.176 0.000 1.011 289 S CB -1.883 61.386 63.200 0.115 0.000 0.852 289 S HN 0.189 nan 8.310 nan 0.000 0.457 290 P HA -0.049 nan 4.420 nan 0.000 0.217 290 P C 1.246 178.468 177.300 -0.129 0.000 1.150 290 P CA 0.992 63.794 63.100 -0.496 0.000 0.832 290 P CB -0.239 30.675 31.700 -1.309 0.000 0.787 291 W N -0.741 120.692 121.300 0.223 0.000 2.418 291 W HA 0.047 4.707 4.660 -0.001 0.000 0.292 291 W C 2.018 178.650 176.519 0.188 0.000 1.213 291 W CA 0.642 58.160 57.345 0.288 0.000 1.283 291 W CB -1.136 28.453 29.460 0.215 0.000 1.119 291 W HN -0.025 nan 8.180 nan 0.000 0.542 292 L N 0.261 121.688 121.223 0.340 0.000 2.093 292 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 292 L C 2.715 179.641 176.870 0.093 0.000 1.085 292 L CA 1.420 56.373 54.840 0.188 0.000 0.755 292 L CB -1.036 41.124 42.059 0.168 0.000 0.904 292 L HN -0.172 nan 8.230 nan 0.000 0.435 293 A N -0.459 122.393 122.820 0.053 0.000 1.930 293 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 293 A C 1.863 179.343 177.584 -0.173 0.000 1.175 293 A CA 1.408 53.378 52.037 -0.112 0.000 0.627 293 A CB -0.655 18.220 19.000 -0.208 0.000 0.815 293 A HN 0.364 nan 8.150 nan 0.000 0.443 294 F N -0.572 119.410 119.950 0.054 0.000 2.797 294 F HA 0.317 4.843 4.527 -0.001 0.000 0.302 294 F C 1.815 177.668 175.800 0.089 0.000 1.130 294 F CA 0.673 58.731 58.000 0.097 0.000 1.387 294 F CB 0.083 39.193 39.000 0.183 0.000 1.107 294 F HN 0.364 nan 8.300 nan 0.000 0.577 295 G N -0.585 108.335 108.800 0.200 0.000 2.176 295 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.252 295 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.252 295 G C 0.965 175.956 174.900 0.152 0.000 1.024 295 G CA 0.340 45.510 45.100 0.118 0.000 0.755 295 G HN 0.439 nan 8.290 nan 0.000 0.507 296 C N -0.279 119.164 119.300 0.237 0.000 2.446 296 C HA 0.399 4.858 4.460 -0.001 0.000 0.279 296 C C 1.458 176.491 174.990 0.071 0.000 1.366 296 C CA 1.042 60.177 59.018 0.195 0.000 1.763 296 C CB -1.338 26.629 27.740 0.378 0.000 1.929 296 C HN 0.758 nan 8.230 nan 0.000 0.509 297 I N -1.664 118.952 120.570 0.077 0.000 2.969 297 I HA 0.667 4.836 4.170 -0.001 0.000 0.307 297 I C -0.577 175.552 176.117 0.019 0.000 1.149 297 I CA -0.374 60.898 61.300 -0.045 0.000 1.008 297 I CB 2.184 40.122 38.000 -0.102 0.000 1.232 297 I HN 0.024 nan 8.210 nan 0.000 0.435 298 S N 1.913 117.628 115.700 0.024 0.000 2.566 298 S HA 0.629 5.099 4.470 -0.001 0.000 0.298 298 S C -2.124 172.548 174.600 0.121 0.000 1.083 298 S CA -1.383 56.850 58.200 0.054 0.000 0.978 298 S CB 1.818 65.034 63.200 0.027 0.000 1.073 298 S HN 0.644 nan 8.310 nan 0.000 0.491 299 P HA -0.089 nan 4.420 nan 0.000 0.218 299 P C 1.149 178.524 177.300 0.124 0.000 1.149 299 P CA 0.925 64.090 63.100 0.107 0.000 0.817 299 P CB 0.100 31.841 31.700 0.068 0.000 0.785 300 R N -1.202 119.367 120.500 0.115 0.000 2.096 300 R HA -0.117 4.222 4.340 -0.001 0.000 0.235 300 R C 2.397 178.814 176.300 0.196 0.000 1.127 300 R CA 1.262 57.449 56.100 0.145 0.000 0.968 300 R CB -1.024 29.349 30.300 0.121 0.000 0.861 300 R HN 0.205 nan 8.270 nan 0.000 0.440 301 F N 1.637 121.585 119.950 -0.003 0.000 2.102 301 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 301 F C 1.968 177.779 175.800 0.017 0.000 1.105 301 F CA 1.341 59.286 58.000 -0.092 0.000 1.239 301 F CB -0.222 38.645 39.000 -0.222 0.000 0.991 301 F HN -0.136 nan 8.300 nan 0.000 0.474 302 I N -0.679 119.861 120.570 -0.050 0.000 2.226 302 I HA -0.329 3.840 4.170 -0.001 0.000 0.245 302 I C 2.329 178.494 176.117 0.080 0.000 1.100 302 I CA 1.710 62.963 61.300 -0.078 0.000 1.374 302 I CB -0.792 37.272 38.000 0.106 0.000 1.057 302 I HN 0.264 nan 8.210 nan 0.000 0.413 303 Y N 2.007 122.314 120.300 0.013 0.000 2.128 303 Y HA -0.300 4.250 4.550 -0.001 0.000 0.284 303 Y C 2.403 178.332 175.900 0.048 0.000 1.154 303 Y CA 1.850 59.969 58.100 0.032 0.000 1.149 303 Y CB -0.381 38.081 38.460 0.004 0.000 0.976 303 Y HN 0.190 nan 8.280 nan 0.000 0.505 304 E N -0.418 119.758 120.200 -0.039 0.000 2.110 304 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 304 E C 2.078 178.679 176.600 0.000 0.000 0.988 304 E CA 1.188 57.553 56.400 -0.057 0.000 0.804 304 E CB -0.047 29.741 29.700 0.147 0.000 0.745 304 E HN 0.512 nan 8.360 nan 0.000 0.458 305 E N 0.319 120.513 120.200 -0.010 0.000 2.106 305 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 305 E C 2.306 179.061 176.600 0.258 0.000 0.984 305 E CA 0.622 57.147 56.400 0.209 0.000 0.806 305 E CB -0.109 29.658 29.700 0.111 0.000 0.750 305 E HN 0.137 nan 8.360 nan 0.000 0.458 306 V N 1.733 121.713 119.914 0.110 0.000 2.343 306 V HA -0.278 3.841 4.120 -0.001 0.000 0.247 306 V C 2.455 178.503 176.094 -0.077 0.000 1.051 306 V CA 1.747 63.984 62.300 -0.104 0.000 1.036 306 V CB -0.537 31.240 31.823 -0.076 0.000 0.654 306 V HN 0.257 nan 8.190 nan 0.000 0.451 307 Q N -0.411 119.300 119.800 -0.149 0.000 2.061 307 Q HA -0.265 4.075 4.340 -0.001 0.000 0.204 307 Q C 2.518 178.525 176.000 0.011 0.000 0.984 307 Q CA 1.966 57.686 55.803 -0.137 0.000 0.846 307 Q CB -0.275 28.306 28.738 -0.262 0.000 0.902 307 Q HN 0.517 nan 8.270 nan 0.000 0.421 308 R N -0.345 120.221 120.500 0.110 0.000 2.092 308 R HA -0.180 4.160 4.340 -0.001 0.000 0.231 308 R C 2.145 178.640 176.300 0.325 0.000 1.119 308 R CA 1.202 57.445 56.100 0.238 0.000 0.970 308 R CB -0.226 30.281 30.300 0.346 0.000 0.864 308 R HN 0.300 nan 8.270 nan 0.000 0.440 309 Y N 1.503 121.842 120.300 0.064 0.000 2.181 309 Y HA -0.195 4.355 4.550 -0.001 0.000 0.288 309 Y C 1.748 177.539 175.900 -0.181 0.000 1.146 309 Y CA 1.947 59.852 58.100 -0.324 0.000 1.164 309 Y CB 0.088 38.094 38.460 -0.755 0.000 0.982 309 Y HN 0.158 nan 8.280 nan 0.000 0.515 310 E N 0.063 120.285 120.200 0.037 0.000 2.204 310 E HA -0.229 4.121 4.350 -0.001 0.000 0.195 310 E C 2.054 178.633 176.600 -0.035 0.000 0.990 310 E CA 1.178 57.578 56.400 -0.001 0.000 0.821 310 E CB -0.074 29.645 29.700 0.032 0.000 0.750 310 E HN 0.492 nan 8.360 nan 0.000 0.477 311 K N 1.274 121.671 120.400 -0.005 0.000 2.021 311 K HA -0.121 4.199 4.320 -0.001 0.000 0.205 311 K C 1.627 178.218 176.600 -0.015 0.000 1.047 311 K CA 1.237 57.527 56.287 0.005 0.000 0.943 311 K CB 0.165 32.688 32.500 0.038 0.000 0.725 311 K HN -0.011 nan 8.250 nan 0.000 0.439 312 E N -0.597 119.608 120.200 0.009 0.000 2.318 312 E HA 0.003 4.352 4.350 -0.001 0.000 0.193 312 E C 1.867 178.410 176.600 -0.094 0.000 0.998 312 E CA 0.198 56.614 56.400 0.026 0.000 0.859 312 E CB 0.524 30.348 29.700 0.206 0.000 0.812 312 E HN 0.174 nan 8.360 nan 0.000 0.492 313 R N -0.096 120.210 120.500 -0.324 0.000 2.081 313 R HA 0.347 4.686 4.340 -0.001 0.000 0.158 313 R C 0.190 176.272 176.300 -0.364 0.000 1.886 313 R CA 0.270 56.074 56.100 -0.493 0.000 1.479 313 R CB 0.216 29.811 30.300 -1.175 0.000 1.254 313 R HN 0.039 nan 8.270 nan 0.000 0.475 314 V N 0.136 119.797 119.914 -0.422 0.000 3.000 314 V HA 0.704 4.824 4.120 -0.001 0.000 0.300 314 V C -1.960 174.109 176.094 -0.042 0.000 1.251 314 V CA -0.706 61.500 62.300 -0.157 0.000 0.972 314 V CB 2.009 33.779 31.823 -0.089 0.000 1.065 314 V HN 0.484 nan 8.190 nan 0.000 0.431 315 A N 4.966 127.785 122.820 -0.001 0.000 2.287 315 A HA 0.979 5.299 4.320 -0.001 0.000 0.317 315 A C -0.463 177.155 177.584 0.057 0.000 1.220 315 A CA -0.120 51.946 52.037 0.047 0.000 0.835 315 A CB 0.744 19.767 19.000 0.038 0.000 1.180 315 A HN 1.542 nan 8.150 nan 0.000 0.500 316 N N 1.296 120.049 118.700 0.090 0.000 3.364 316 N HA 0.169 4.908 4.740 -0.001 0.000 0.294 316 N C 0.204 175.802 175.510 0.146 0.000 1.562 316 N CA -0.745 52.358 53.050 0.088 0.000 0.862 316 N CB 0.078 38.602 38.487 0.061 0.000 1.691 316 N HN 0.179 nan 8.380 nan 0.000 0.572 317 N N -0.161 118.617 118.700 0.130 0.000 2.149 317 N HA -0.091 4.649 4.740 -0.001 0.000 0.188 317 N C 0.978 176.680 175.510 0.321 0.000 1.019 317 N CA 1.500 54.673 53.050 0.205 0.000 0.857 317 N CB -0.232 38.307 38.487 0.087 0.000 0.997 317 N HN 0.561 nan 8.380 nan 0.000 0.426 318 S N -0.352 115.476 115.700 0.215 0.000 2.383 318 S HA -0.095 4.375 4.470 -0.001 0.000 0.227 318 S C 2.098 176.874 174.600 0.294 0.000 1.026 318 S CA 1.635 59.997 58.200 0.269 0.000 0.981 318 S CB -0.376 62.920 63.200 0.160 0.000 0.818 318 S HN 0.656 nan 8.310 nan 0.000 0.472 319 T N -0.374 114.284 114.554 0.173 0.000 2.788 319 T HA -0.165 4.185 4.350 -0.001 0.000 0.268 319 T C 1.697 176.499 174.700 0.170 0.000 1.044 319 T CA 1.282 63.422 62.100 0.066 0.000 1.139 319 T CB -0.730 68.169 68.868 0.051 0.000 0.867 319 T HN 0.496 nan 8.240 nan 0.000 0.454 320 Y N 0.167 120.578 120.300 0.185 0.000 2.200 320 Y HA -0.005 4.545 4.550 -0.001 0.000 0.290 320 Y C 2.401 178.492 175.900 0.319 0.000 1.137 320 Y CA 0.795 59.035 58.100 0.233 0.000 1.163 320 Y CB -0.520 38.084 38.460 0.239 0.000 0.988 320 Y HN 0.267 nan 8.280 nan 0.000 0.518 321 W N 0.155 121.535 121.300 0.133 0.000 2.374 321 W HA -0.198 4.462 4.660 -0.001 0.000 0.288 321 W C 2.316 178.970 176.519 0.224 0.000 1.218 321 W CA 1.797 59.227 57.345 0.142 0.000 1.245 321 W CB -0.420 29.206 29.460 0.276 0.000 1.126 321 W HN 0.102 nan 8.180 nan 0.000 0.545 322 V N 1.513 121.554 119.914 0.212 0.000 2.407 322 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 322 V C 2.126 178.227 176.094 0.011 0.000 1.055 322 V CA 1.906 64.169 62.300 -0.062 0.000 1.049 322 V CB -0.459 31.230 31.823 -0.223 0.000 0.662 322 V HN 0.095 nan 8.190 nan 0.000 0.455 323 L N -1.222 119.982 121.223 -0.032 0.000 2.072 323 L HA -0.099 4.241 4.340 -0.001 0.000 0.205 323 L C 2.382 179.192 176.870 -0.100 0.000 1.079 323 L CA 2.031 56.851 54.840 -0.035 0.000 0.752 323 L CB -0.808 41.245 42.059 -0.010 0.000 0.906 323 L HN 0.444 nan 8.230 nan 0.000 0.436 324 F N 1.295 120.939 119.950 -0.510 0.000 2.120 324 F HA -0.268 4.259 4.527 -0.001 0.000 0.300 324 F C 2.581 178.288 175.800 -0.155 0.000 1.095 324 F CA 1.689 59.385 58.000 -0.507 0.000 1.249 324 F CB 0.028 38.374 39.000 -1.090 0.000 0.995 324 F HN 0.046 nan 8.300 nan 0.000 0.480 325 E N 0.473 120.759 120.200 0.144 0.000 2.107 325 E HA -0.111 4.239 4.350 -0.001 0.000 0.191 325 E C 2.398 179.125 176.600 0.210 0.000 0.982 325 E CA 0.950 57.511 56.400 0.269 0.000 0.809 325 E CB -0.492 29.408 29.700 0.334 0.000 0.756 325 E HN 0.490 nan 8.360 nan 0.000 0.459 326 L N 0.542 121.851 121.223 0.143 0.000 2.201 326 L HA -0.101 4.238 4.340 -0.001 0.000 0.212 326 L C 2.345 179.310 176.870 0.159 0.000 1.105 326 L CA 0.613 55.540 54.840 0.145 0.000 0.775 326 L CB -0.270 41.861 42.059 0.121 0.000 0.913 326 L HN 0.085 nan 8.230 nan 0.000 0.440 327 I N -1.933 118.714 120.570 0.129 0.000 2.439 327 I HA -0.240 3.929 4.170 -0.001 0.000 0.251 327 I C 2.118 178.394 176.117 0.266 0.000 1.139 327 I CA 1.204 62.627 61.300 0.204 0.000 1.438 327 I CB -0.205 37.839 38.000 0.074 0.000 1.085 327 I HN 0.304 nan 8.210 nan 0.000 0.427 328 W N 1.241 122.586 121.300 0.075 0.000 2.338 328 W HA -0.201 4.458 4.660 -0.001 0.000 0.304 328 W C 2.879 179.418 176.519 0.034 0.000 1.212 328 W CA 1.316 58.609 57.345 -0.087 0.000 1.264 328 W CB -0.207 29.089 29.460 -0.274 0.000 1.142 328 W HN 0.022 nan 8.180 nan 0.000 0.512 329 R N 0.592 121.286 120.500 0.324 0.000 2.073 329 R HA -0.189 4.150 4.340 -0.001 0.000 0.234 329 R C 1.658 178.030 176.300 0.120 0.000 1.134 329 R CA 2.304 58.542 56.100 0.230 0.000 0.952 329 R CB -0.597 29.797 30.300 0.157 0.000 0.850 329 R HN 0.021 nan 8.270 nan 0.000 0.433 330 D N -0.508 119.965 120.400 0.120 0.000 2.104 330 D HA -0.213 4.427 4.640 -0.001 0.000 0.194 330 D C 1.553 177.781 176.300 -0.120 0.000 0.994 330 D CA 1.337 55.337 54.000 0.000 0.000 0.830 330 D CB -0.437 40.584 40.800 0.368 0.000 0.959 330 D HN 0.270 nan 8.370 nan 0.000 0.452 331 Y N 0.281 120.485 120.300 -0.160 0.000 2.097 331 Y HA -0.259 4.291 4.550 -0.001 0.000 0.282 331 Y C 2.026 177.714 175.900 -0.355 0.000 1.152 331 Y CA 1.484 59.254 58.100 -0.549 0.000 1.136 331 Y CB -0.631 37.446 38.460 -0.638 0.000 0.975 331 Y HN -0.090 nan 8.280 nan 0.000 0.498 332 F N 0.014 119.886 119.950 -0.130 0.000 2.216 332 F HA -0.120 4.407 4.527 -0.001 0.000 0.300 332 F C 2.563 178.240 175.800 -0.206 0.000 1.085 332 F CA 1.608 59.492 58.000 -0.193 0.000 1.326 332 F CB -0.810 38.152 39.000 -0.062 0.000 1.027 332 F HN 0.004 nan 8.300 nan 0.000 0.497 333 R N 0.251 120.714 120.500 -0.062 0.000 2.070 333 R HA -0.160 4.180 4.340 -0.001 0.000 0.233 333 R C 1.974 178.222 176.300 -0.085 0.000 1.137 333 R CA 1.871 57.890 56.100 -0.135 0.000 0.945 333 R CB -1.132 29.001 30.300 -0.279 0.000 0.845 333 R HN 0.144 nan 8.270 nan 0.000 0.430 334 F N 0.271 120.215 119.950 -0.011 0.000 2.171 334 F HA -0.033 4.494 4.527 -0.001 0.000 0.300 334 F C 1.999 177.693 175.800 -0.176 0.000 1.090 334 F CA 0.717 58.680 58.000 -0.062 0.000 1.293 334 F CB -0.965 37.962 39.000 -0.121 0.000 1.013 334 F HN 0.082 nan 8.300 nan 0.000 0.486 335 L N 0.359 121.470 121.223 -0.187 0.000 2.131 335 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 335 L C 2.621 179.429 176.870 -0.103 0.000 1.092 335 L CA 1.927 56.615 54.840 -0.253 0.000 0.759 335 L CB -1.092 40.711 42.059 -0.427 0.000 0.903 335 L HN 0.233 nan 8.230 nan 0.000 0.435 336 S N -1.073 114.601 115.700 -0.044 0.000 2.399 336 S HA -0.174 4.296 4.470 -0.001 0.000 0.231 336 S C 2.020 176.615 174.600 -0.008 0.000 1.022 336 S CA 1.460 59.635 58.200 -0.041 0.000 0.983 336 S CB -0.825 62.371 63.200 -0.006 0.000 0.803 336 S HN 0.512 nan 8.310 nan 0.000 0.480 337 I N 1.462 122.067 120.570 0.060 0.000 2.286 337 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 337 I C 2.802 178.920 176.117 0.001 0.000 1.104 337 I CA 1.356 62.717 61.300 0.101 0.000 1.397 337 I CB -0.291 37.832 38.000 0.206 0.000 1.072 337 I HN 0.316 nan 8.210 nan 0.000 0.417 338 K N 0.590 120.954 120.400 -0.061 0.000 2.057 338 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 338 K C 2.168 178.630 176.600 -0.231 0.000 1.049 338 K CA 1.770 57.934 56.287 -0.205 0.000 0.931 338 K CB -0.062 32.339 32.500 -0.166 0.000 0.714 338 K HN 0.357 nan 8.250 nan 0.000 0.440 339 C N 0.213 119.418 119.300 -0.157 0.000 2.485 339 C HA 0.224 4.683 4.460 -0.001 0.000 0.277 339 C C 1.551 176.452 174.990 -0.149 0.000 1.376 339 C CA 0.136 59.065 59.018 -0.148 0.000 1.759 339 C CB -1.002 26.656 27.740 -0.137 0.000 1.970 339 C HN 0.855 nan 8.230 nan 0.000 0.509 340 G N 1.755 110.478 108.800 -0.128 0.000 2.614 340 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.303 340 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.303 340 G C 0.562 175.365 174.900 -0.162 0.000 1.270 340 G CA 0.759 45.808 45.100 -0.086 0.000 0.988 340 G HN 0.389 nan 8.290 nan 0.000 0.551 341 N N 1.523 120.165 118.700 -0.097 0.000 2.550 341 N HA -0.025 4.715 4.740 -0.001 0.000 0.186 341 N C 2.468 177.635 175.510 -0.571 0.000 1.110 341 N CA 1.547 54.501 53.050 -0.160 0.000 0.912 341 N CB -0.210 38.266 38.487 -0.017 0.000 0.968 341 N HN 0.803 nan 8.380 nan 0.000 0.448 342 S N 0.268 115.755 115.700 -0.355 0.000 2.442 342 S HA -0.080 4.390 4.470 -0.001 0.000 0.236 342 S C 1.836 176.297 174.600 -0.232 0.000 1.007 342 S CA 0.258 58.324 58.200 -0.224 0.000 0.965 342 S CB -0.373 62.813 63.200 -0.023 0.000 0.773 342 S HN 0.197 nan 8.310 nan 0.000 0.504 343 L N 0.307 121.276 121.223 -0.424 0.000 2.187 343 L HA 0.156 4.496 4.340 -0.001 0.000 0.213 343 L C 1.185 177.813 176.870 -0.404 0.000 1.100 343 L CA 1.590 56.129 54.840 -0.502 0.000 0.765 343 L CB -0.719 40.822 42.059 -0.865 0.000 0.904 343 L HN 0.361 nan 8.230 nan 0.000 0.437 344 F N -2.531 117.365 119.950 -0.090 0.000 2.704 344 F HA 0.259 4.786 4.527 -0.001 0.000 0.304 344 F C 0.995 176.830 175.800 0.059 0.000 1.094 344 F CA -0.759 57.202 58.000 -0.065 0.000 1.275 344 F CB -0.668 38.147 39.000 -0.308 0.000 1.073 344 F HN 0.032 nan 8.300 nan 0.000 0.586 345 H N -0.029 119.186 119.070 0.243 0.000 2.505 345 H HA 0.160 4.715 4.556 -0.001 0.000 0.351 345 H C 1.109 176.543 175.328 0.177 0.000 1.151 345 H CA -0.807 55.316 56.048 0.125 0.000 1.339 345 H CB 1.829 31.659 29.762 0.114 0.000 1.483 345 H HN -0.055 nan 8.280 nan 0.000 0.558 346 L N 2.313 123.612 121.223 0.127 0.000 2.013 346 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 346 L C 2.257 179.368 176.870 0.402 0.000 1.073 346 L CA 2.274 57.190 54.840 0.126 0.000 0.753 346 L CB -0.897 41.155 42.059 -0.012 0.000 0.890 346 L HN 0.854 nan 8.230 nan 0.000 0.432 347 G N -1.669 107.304 108.800 0.288 0.000 2.598 347 G HA2 0.314 4.274 3.960 -0.001 0.000 0.215 347 G HA3 0.314 4.274 3.960 -0.001 0.000 0.215 347 G C 0.927 175.957 174.900 0.217 0.000 1.131 347 G CA 0.545 45.795 45.100 0.250 0.000 0.785 347 G HN 0.939 nan 8.290 nan 0.000 0.539 348 G N -0.127 108.834 108.800 0.268 0.000 2.752 348 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.234 348 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.234 348 G C -1.085 173.873 174.900 0.098 0.000 1.367 348 G CA -0.111 45.087 45.100 0.163 0.000 0.879 348 G HN 0.094 nan 8.290 nan 0.000 0.563 349 P HA -0.086 nan 4.420 nan 0.000 0.217 349 P C 1.782 179.097 177.300 0.024 0.000 1.148 349 P CA 1.741 64.850 63.100 0.015 0.000 0.828 349 P CB -0.007 31.693 31.700 -0.001 0.000 0.783 350 R N -1.099 119.418 120.500 0.028 0.000 2.275 350 R HA 0.013 4.352 4.340 -0.001 0.000 0.199 350 R C 0.168 176.497 176.300 0.049 0.000 0.989 350 R CA 0.216 56.332 56.100 0.027 0.000 1.016 350 R CB -0.676 29.633 30.300 0.014 0.000 0.918 350 R HN -0.002 nan 8.270 nan 0.000 0.473 351 N N 0.364 119.110 118.700 0.076 0.000 2.696 351 N HA -0.155 4.585 4.740 -0.001 0.000 0.256 351 N C -1.392 174.172 175.510 0.090 0.000 1.031 351 N CA 0.479 53.584 53.050 0.092 0.000 0.730 351 N CB -1.027 37.503 38.487 0.072 0.000 0.894 351 N HN -0.029 nan 8.380 nan 0.000 0.544 352 V N 0.342 120.325 119.914 0.115 0.000 2.686 352 V HA 0.523 4.643 4.120 -0.001 0.000 0.295 352 V C 1.367 177.554 176.094 0.154 0.000 1.055 352 V CA 0.503 62.879 62.300 0.125 0.000 1.050 352 V CB 0.978 32.891 31.823 0.150 0.000 0.984 352 V HN 0.621 nan 8.190 nan 0.000 0.482 353 Q N 1.858 121.724 119.800 0.109 0.000 2.256 353 Q HA 0.770 5.109 4.340 -0.001 0.000 0.232 353 Q C 0.359 176.402 176.000 0.071 0.000 0.965 353 Q CA -0.026 55.827 55.803 0.084 0.000 0.908 353 Q CB 1.538 30.294 28.738 0.031 0.000 1.209 353 Q HN 1.667 nan 8.270 nan 0.000 0.489 354 G N -2.172 106.622 108.800 -0.011 0.000 2.323 354 G HA2 0.595 4.555 3.960 -0.001 0.000 0.291 354 G HA3 0.595 4.555 3.960 -0.001 0.000 0.291 354 G C 0.140 174.858 174.900 -0.303 0.000 1.278 354 G CA 0.846 45.796 45.100 -0.250 0.000 0.860 354 G HN 1.176 nan 8.290 nan 0.000 0.504 355 K N -2.118 117.919 120.400 -0.604 0.000 2.386 355 K HA 0.643 4.963 4.320 -0.001 0.000 0.237 355 K C 0.576 177.066 176.600 -0.184 0.000 1.122 355 K CA 1.229 57.320 56.287 -0.327 0.000 0.838 355 K CB -0.740 31.594 32.500 -0.275 0.000 1.364 355 K HN 1.783 nan 8.250 nan 0.000 0.440 356 W N 0.221 121.519 121.300 -0.003 0.000 3.078 356 W HA -0.107 4.553 4.660 -0.001 0.000 0.458 356 W C 0.370 176.871 176.519 -0.030 0.000 1.858 356 W CA -0.017 57.321 57.345 -0.012 0.000 0.459 356 W CB -1.253 28.204 29.460 -0.006 0.000 2.859 356 W HN 0.501 nan 8.180 nan 0.000 0.416 357 S N 2.008 117.836 115.700 0.212 0.000 2.601 357 S HA 0.432 4.901 4.470 -0.001 0.000 0.271 357 S C 0.450 175.080 174.600 0.049 0.000 1.305 357 S CA -0.227 58.030 58.200 0.095 0.000 1.022 357 S CB 1.167 64.407 63.200 0.066 0.000 0.940 357 S HN 0.464 nan 8.310 nan 0.000 0.525 358 Q N 1.482 121.292 119.800 0.016 0.000 2.182 358 Q HA 0.182 4.521 4.340 -0.001 0.000 0.305 358 Q C -0.936 175.046 176.000 -0.031 0.000 0.880 358 Q CA -0.304 55.471 55.803 -0.047 0.000 1.131 358 Q CB 0.470 29.213 28.738 0.007 0.000 1.237 358 Q HN 0.718 nan 8.270 nan 0.000 0.447 359 D N 1.239 121.641 120.400 0.004 0.000 2.451 359 D HA -0.097 4.542 4.640 -0.001 0.000 0.254 359 D C 0.811 177.145 176.300 0.057 0.000 1.204 359 D CA 0.463 54.482 54.000 0.031 0.000 0.896 359 D CB 1.217 42.042 40.800 0.041 0.000 1.136 359 D HN 0.166 nan 8.370 nan 0.000 0.499 360 Q N 4.451 124.289 119.800 0.063 0.000 2.119 360 Q HA -0.151 4.189 4.340 -0.001 0.000 0.201 360 Q C 1.843 177.922 176.000 0.131 0.000 0.972 360 Q CA 1.504 57.373 55.803 0.110 0.000 0.847 360 Q CB 0.061 28.854 28.738 0.091 0.000 0.903 360 Q HN 0.518 nan 8.270 nan 0.000 0.433 361 K N -0.626 119.826 120.400 0.085 0.000 2.057 361 K HA -0.071 4.248 4.320 -0.001 0.000 0.206 361 K C 1.978 178.624 176.600 0.076 0.000 1.050 361 K CA 1.079 57.406 56.287 0.066 0.000 0.935 361 K CB -0.137 32.392 32.500 0.049 0.000 0.715 361 K HN 0.245 nan 8.250 nan 0.000 0.439 362 L N 0.061 121.339 121.223 0.092 0.000 2.017 362 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 362 L C 2.357 179.311 176.870 0.141 0.000 1.073 362 L CA 1.245 56.150 54.840 0.108 0.000 0.745 362 L CB -0.456 41.657 42.059 0.090 0.000 0.894 362 L HN 0.223 nan 8.230 nan 0.000 0.432 363 F N 1.109 121.056 119.950 -0.005 0.000 2.126 363 F HA -0.247 4.280 4.527 -0.001 0.000 0.299 363 F C 2.391 178.204 175.800 0.023 0.000 1.096 363 F CA 1.778 59.767 58.000 -0.019 0.000 1.255 363 F CB -0.241 38.690 39.000 -0.115 0.000 0.997 363 F HN 0.071 nan 8.300 nan 0.000 0.479 364 E N -0.125 119.987 120.200 -0.146 0.000 2.118 364 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 364 E C 2.392 178.853 176.600 -0.231 0.000 0.992 364 E CA 1.543 57.773 56.400 -0.284 0.000 0.804 364 E CB -0.283 29.360 29.700 -0.094 0.000 0.741 364 E HN 0.569 nan 8.360 nan 0.000 0.458 365 S N 0.091 115.748 115.700 -0.072 0.000 2.383 365 S HA -0.194 4.275 4.470 -0.001 0.000 0.227 365 S C 1.750 176.366 174.600 0.028 0.000 1.026 365 S CA 0.707 58.903 58.200 -0.006 0.000 0.981 365 S CB -0.630 62.616 63.200 0.077 0.000 0.818 365 S HN 0.513 nan 8.310 nan 0.000 0.472 366 W N 2.769 123.985 121.300 -0.139 0.000 2.354 366 W HA 0.022 4.682 4.660 -0.001 0.000 0.315 366 W C 2.724 179.073 176.519 -0.284 0.000 1.206 366 W CA 1.591 58.872 57.345 -0.107 0.000 1.290 366 W CB -0.409 29.025 29.460 -0.044 0.000 1.152 366 W HN 0.206 nan 8.180 nan 0.000 0.489 367 R N 0.171 120.378 120.500 -0.489 0.000 2.094 367 R HA -0.186 4.154 4.340 -0.001 0.000 0.239 367 R C 1.097 177.069 176.300 -0.547 0.000 1.137 367 R CA 2.172 57.721 56.100 -0.918 0.000 0.943 367 R CB -0.737 28.689 30.300 -1.457 0.000 0.850 367 R HN 0.091 nan 8.270 nan 0.000 0.433 368 D N -0.443 119.730 120.400 -0.379 0.000 2.319 368 D HA 0.126 4.766 4.640 -0.001 0.000 0.230 368 D C 0.085 176.292 176.300 -0.155 0.000 1.094 368 D CA 0.814 54.682 54.000 -0.220 0.000 0.856 368 D CB 0.684 41.381 40.800 -0.171 0.000 0.915 368 D HN 0.374 nan 8.370 nan 0.000 0.517 369 A N 1.137 123.849 122.820 -0.180 0.000 2.667 369 A HA -0.267 4.053 4.320 -0.001 0.000 0.298 369 A C 0.508 178.066 177.584 -0.044 0.000 1.483 369 A CA 0.729 52.698 52.037 -0.114 0.000 0.738 369 A CB -2.164 16.777 19.000 -0.098 0.000 1.067 369 A HN 0.335 nan 8.150 nan 0.000 0.451 370 K N -0.430 119.949 120.400 -0.035 0.000 3.239 370 K HA 0.190 4.510 4.320 -0.001 0.000 0.204 370 K C 1.278 177.897 176.600 0.032 0.000 1.126 370 K CA 0.436 56.704 56.287 -0.033 0.000 0.948 370 K CB 0.324 32.785 32.500 -0.065 0.000 0.818 370 K HN 0.735 nan 8.250 nan 0.000 0.480 371 T N -3.085 111.535 114.554 0.109 0.000 3.043 371 T HA 0.081 4.431 4.350 -0.001 0.000 0.263 371 T C 1.558 176.336 174.700 0.131 0.000 1.094 371 T CA 0.974 63.214 62.100 0.233 0.000 1.127 371 T CB 0.124 69.223 68.868 0.386 0.000 0.905 371 T HN 0.433 nan 8.240 nan 0.000 0.490 372 G N 0.376 109.219 108.800 0.072 0.000 2.195 372 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.246 372 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.246 372 G C -0.224 174.616 174.900 -0.101 0.000 0.984 372 G CA -0.024 45.069 45.100 -0.010 0.000 0.633 372 G HN 0.613 nan 8.290 nan 0.000 0.525 373 Y N 0.535 120.938 120.300 0.171 0.000 2.369 373 Y HA 0.471 5.020 4.550 -0.001 0.000 0.337 373 Y C -1.055 174.811 175.900 -0.058 0.000 0.961 373 Y CA -2.103 56.007 58.100 0.018 0.000 1.186 373 Y CB 1.705 40.098 38.460 -0.111 0.000 1.139 373 Y HN -0.047 nan 8.280 nan 0.000 0.494 374 P HA -0.251 nan 4.420 nan 0.000 0.215 374 P C 1.817 179.103 177.300 -0.023 0.000 1.157 374 P CA 1.160 64.143 63.100 -0.195 0.000 0.874 374 P CB 0.371 31.902 31.700 -0.283 0.000 0.790 375 L N -1.057 120.182 121.223 0.026 0.000 2.042 375 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 375 L C 2.117 178.991 176.870 0.007 0.000 1.076 375 L CA 1.979 56.853 54.840 0.058 0.000 0.749 375 L CB -1.166 40.911 42.059 0.030 0.000 0.893 375 L HN -0.129 nan 8.230 nan 0.000 0.432 376 I N -0.464 120.055 120.570 -0.085 0.000 2.193 376 I HA -0.216 3.954 4.170 -0.001 0.000 0.240 376 I C 2.178 178.224 176.117 -0.118 0.000 1.084 376 I CA 1.214 62.406 61.300 -0.181 0.000 1.365 376 I CB -1.510 36.219 38.000 -0.452 0.000 1.064 376 I HN 0.267 nan 8.210 nan 0.000 0.410 377 D N 1.320 121.693 120.400 -0.046 0.000 2.123 377 D HA -0.130 4.510 4.640 -0.001 0.000 0.196 377 D C 2.266 178.531 176.300 -0.058 0.000 0.992 377 D CA 1.572 55.558 54.000 -0.024 0.000 0.833 377 D CB -0.143 40.733 40.800 0.126 0.000 0.954 377 D HN 0.299 nan 8.370 nan 0.000 0.455 378 A N 1.108 123.913 122.820 -0.024 0.000 1.908 378 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 378 A C 2.046 179.505 177.584 -0.208 0.000 1.181 378 A CA 1.405 53.394 52.037 -0.079 0.000 0.627 378 A CB -0.507 18.468 19.000 -0.041 0.000 0.818 378 A HN 0.158 nan 8.150 nan 0.000 0.445 379 N N -0.643 118.036 118.700 -0.035 0.000 2.142 379 N HA -0.107 4.633 4.740 -0.001 0.000 0.186 379 N C 1.669 177.024 175.510 -0.259 0.000 1.023 379 N CA 1.596 54.593 53.050 -0.088 0.000 0.852 379 N CB -0.268 38.184 38.487 -0.058 0.000 0.998 379 N HN 0.349 nan 8.380 nan 0.000 0.424 380 M N 1.013 120.447 119.600 -0.276 0.000 2.254 380 M HA -0.052 4.428 4.480 -0.001 0.000 0.265 380 M C 2.062 178.186 176.300 -0.293 0.000 1.066 380 M CA 0.948 56.050 55.300 -0.331 0.000 1.123 380 M CB -0.842 31.489 32.600 -0.448 0.000 1.388 380 M HN 0.081 nan 8.290 nan 0.000 0.425 381 K N 0.676 120.891 120.400 -0.309 0.000 2.057 381 K HA -0.188 4.131 4.320 -0.001 0.000 0.206 381 K C 1.965 178.210 176.600 -0.592 0.000 1.050 381 K CA 1.487 57.586 56.287 -0.313 0.000 0.935 381 K CB -0.028 32.364 32.500 -0.182 0.000 0.715 381 K HN 0.337 nan 8.250 nan 0.000 0.439 382 E N 0.462 120.048 120.200 -1.024 0.000 2.085 382 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 382 E C 2.055 178.372 176.600 -0.472 0.000 0.994 382 E CA 1.222 56.900 56.400 -1.203 0.000 0.801 382 E CB -0.092 29.024 29.700 -0.972 0.000 0.743 382 E HN 0.271 nan 8.360 nan 0.000 0.453 383 L N 1.024 122.022 121.223 -0.375 0.000 1.994 383 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 383 L C 2.474 179.199 176.870 -0.242 0.000 1.071 383 L CA 2.581 57.234 54.840 -0.312 0.000 0.745 383 L CB -0.763 41.068 42.059 -0.380 0.000 0.892 383 L HN 0.232 nan 8.230 nan 0.000 0.431 384 S N -2.808 112.782 115.700 -0.183 0.000 2.402 384 S HA -0.133 4.337 4.470 -0.001 0.000 0.229 384 S C 1.746 176.314 174.600 -0.053 0.000 1.021 384 S CA 1.344 59.490 58.200 -0.090 0.000 0.974 384 S CB -1.070 62.144 63.200 0.024 0.000 0.800 384 S HN 0.547 nan 8.310 nan 0.000 0.484 385 T N 1.896 116.417 114.554 -0.055 0.000 2.937 385 T HA 0.019 4.368 4.350 -0.001 0.000 0.260 385 T C 2.098 176.862 174.700 0.107 0.000 1.051 385 T CA 1.633 63.771 62.100 0.063 0.000 1.141 385 T CB -0.381 68.600 68.868 0.188 0.000 0.879 385 T HN 0.816 nan 8.240 nan 0.000 0.459 386 T N -2.092 112.512 114.554 0.083 0.000 2.955 386 T HA 0.441 4.791 4.350 -0.001 0.000 0.251 386 T C 1.763 176.521 174.700 0.097 0.000 1.002 386 T CA 0.788 62.990 62.100 0.170 0.000 0.970 386 T CB 0.147 69.201 68.868 0.310 0.000 1.091 386 T HN 0.471 nan 8.240 nan 0.000 0.495 387 G N 1.251 110.035 108.800 -0.027 0.000 2.147 387 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.244 387 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.244 387 G C -0.209 174.623 174.900 -0.114 0.000 1.005 387 G CA 0.328 45.352 45.100 -0.126 0.000 0.713 387 G HN 0.765 nan 8.290 nan 0.000 0.515 388 F N -0.400 119.433 119.950 -0.195 0.000 2.599 388 F HA 0.851 5.378 4.527 -0.001 0.000 0.311 388 F C -0.383 175.324 175.800 -0.156 0.000 1.076 388 F CA -1.294 56.593 58.000 -0.189 0.000 0.937 388 F CB 1.846 40.829 39.000 -0.029 0.000 1.282 388 F HN 0.145 nan 8.300 nan 0.000 0.460 389 M N 3.778 122.877 119.600 -0.835 0.000 2.470 389 M HA 0.394 4.874 4.480 -0.001 0.000 0.285 389 M C -1.029 174.856 176.300 -0.690 0.000 1.213 389 M CA -0.667 54.330 55.300 -0.505 0.000 0.901 389 M CB 2.200 34.519 32.600 -0.469 0.000 1.718 389 M HN 0.763 nan 8.290 nan 0.000 0.469 390 S N 2.168 117.763 115.700 -0.176 0.000 2.573 390 S HA 0.037 4.507 4.470 -0.001 0.000 0.277 390 S C 0.759 175.239 174.600 -0.201 0.000 1.346 390 S CA 0.069 58.248 58.200 -0.034 0.000 1.034 390 S CB 0.601 63.757 63.200 -0.073 0.000 0.879 390 S HN 0.957 nan 8.310 nan 0.000 0.528 391 N N 1.466 120.098 118.700 -0.113 0.000 2.104 391 N HA -0.246 4.494 4.740 -0.001 0.000 0.190 391 N C 1.902 177.271 175.510 -0.236 0.000 1.024 391 N CA 1.416 54.368 53.050 -0.163 0.000 0.853 391 N CB -0.236 38.206 38.487 -0.076 0.000 1.008 391 N HN 0.673 nan 8.380 nan 0.000 0.424 392 R N 0.660 121.003 120.500 -0.261 0.000 2.080 392 R HA -0.049 4.290 4.340 -0.001 0.000 0.236 392 R C 2.276 178.350 176.300 -0.375 0.000 1.137 392 R CA 2.093 57.973 56.100 -0.366 0.000 0.943 392 R CB -1.396 28.620 30.300 -0.474 0.000 0.846 392 R HN 0.335 nan 8.270 nan 0.000 0.431 393 G N 0.138 108.740 108.800 -0.330 0.000 2.440 393 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.218 393 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.218 393 G C 1.469 176.230 174.900 -0.231 0.000 1.154 393 G CA 0.835 45.769 45.100 -0.277 0.000 0.767 393 G HN 0.358 nan 8.290 nan 0.000 0.552 394 R N -0.019 120.349 120.500 -0.220 0.000 2.081 394 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 394 R C 2.840 178.933 176.300 -0.344 0.000 1.131 394 R CA 1.574 57.599 56.100 -0.126 0.000 0.960 394 R CB -0.361 29.880 30.300 -0.098 0.000 0.856 394 R HN 0.462 nan 8.270 nan 0.000 0.436 395 Q N 0.311 119.820 119.800 -0.486 0.000 2.084 395 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 395 Q C 2.160 177.576 176.000 -0.974 0.000 0.978 395 Q CA 1.324 56.681 55.803 -0.744 0.000 0.844 395 Q CB -0.094 28.148 28.738 -0.827 0.000 0.898 395 Q HN 0.389 nan 8.270 nan 0.000 0.426 396 I N 0.356 120.438 120.570 -0.813 0.000 2.202 396 I HA -0.208 3.962 4.170 -0.001 0.000 0.242 396 I C 2.355 178.327 176.117 -0.242 0.000 1.091 396 I CA 0.951 61.888 61.300 -0.605 0.000 1.368 396 I CB -0.366 37.416 38.000 -0.363 0.000 1.058 396 I HN 0.143 nan 8.210 nan 0.000 0.410 397 V N -1.772 118.082 119.914 -0.101 0.000 2.548 397 V HA -0.236 3.884 4.120 -0.001 0.000 0.249 397 V C 2.506 178.769 176.094 0.281 0.000 1.055 397 V CA 1.428 63.869 62.300 0.235 0.000 1.065 397 V CB -1.193 30.843 31.823 0.355 0.000 0.681 397 V HN 0.635 nan 8.190 nan 0.000 0.462 398 C N 0.756 119.967 119.300 -0.148 0.000 2.442 398 C HA -0.164 4.296 4.460 -0.001 0.000 0.279 398 C C 3.199 178.102 174.990 -0.145 0.000 1.237 398 C CA 2.006 60.767 59.018 -0.428 0.000 1.722 398 C CB -0.875 26.268 27.740 -0.996 0.000 2.056 398 C HN 0.739 nan 8.230 nan 0.000 0.469 399 S N -0.921 114.670 115.700 -0.181 0.000 2.370 399 S HA -0.214 4.255 4.470 -0.001 0.000 0.226 399 S C 1.710 176.319 174.600 0.015 0.000 1.033 399 S CA 1.944 60.104 58.200 -0.066 0.000 1.011 399 S CB -0.763 62.403 63.200 -0.057 0.000 0.852 399 S HN 0.692 nan 8.310 nan 0.000 0.457 400 F N 1.723 121.626 119.950 -0.079 0.000 2.102 400 F HA 0.014 4.540 4.527 -0.001 0.000 0.298 400 F C 2.006 177.819 175.800 0.022 0.000 1.105 400 F CA 1.744 59.738 58.000 -0.009 0.000 1.239 400 F CB -0.556 38.477 39.000 0.056 0.000 0.991 400 F HN 0.280 nan 8.300 nan 0.000 0.474 401 L N -0.695 120.565 121.223 0.061 0.000 2.083 401 L HA -0.156 4.183 4.340 -0.001 0.000 0.209 401 L C 1.961 178.737 176.870 -0.157 0.000 1.083 401 L CA 1.255 55.965 54.840 -0.217 0.000 0.752 401 L CB -0.337 41.403 42.059 -0.533 0.000 0.899 401 L HN 0.055 nan 8.230 nan 0.000 0.433 402 V N -0.223 119.657 119.914 -0.056 0.000 2.331 402 V HA -0.115 4.004 4.120 -0.001 0.000 0.242 402 V C 2.513 178.641 176.094 0.057 0.000 1.034 402 V CA 1.776 64.054 62.300 -0.036 0.000 1.027 402 V CB -0.534 31.265 31.823 -0.039 0.000 0.667 402 V HN 0.411 nan 8.190 nan 0.000 0.457 403 R N -0.431 120.108 120.500 0.066 0.000 2.156 403 R HA 0.050 4.389 4.340 -0.001 0.000 0.207 403 R C 1.772 178.133 176.300 0.100 0.000 1.040 403 R CA 0.923 57.118 56.100 0.160 0.000 1.013 403 R CB -0.108 30.364 30.300 0.288 0.000 0.931 403 R HN 0.501 nan 8.270 nan 0.000 0.465 404 D N 0.502 120.862 120.400 -0.067 0.000 2.201 404 D HA 0.026 4.666 4.640 -0.001 0.000 0.209 404 D C 1.867 178.007 176.300 -0.266 0.000 0.961 404 D CA 1.035 54.910 54.000 -0.208 0.000 0.861 404 D CB 0.239 40.715 40.800 -0.541 0.000 0.997 404 D HN 0.129 nan 8.370 nan 0.000 0.486 405 M N -0.442 118.952 119.600 -0.344 0.000 2.435 405 M HA 0.140 4.620 4.480 -0.001 0.000 0.265 405 M C 1.135 177.412 176.300 -0.037 0.000 1.104 405 M CA 0.697 55.883 55.300 -0.190 0.000 1.140 405 M CB 0.646 33.122 32.600 -0.207 0.000 1.372 405 M HN 0.041 nan 8.290 nan 0.000 0.456 406 G N 2.195 111.012 108.800 0.028 0.000 2.176 406 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.252 406 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.252 406 G C -0.150 174.888 174.900 0.229 0.000 1.024 406 G CA -0.184 45.032 45.100 0.193 0.000 0.755 406 G HN 0.357 nan 8.290 nan 0.000 0.507 407 L N 0.146 121.411 121.223 0.071 0.000 2.379 407 L HA 0.394 4.734 4.340 -0.001 0.000 0.269 407 L C 0.777 177.599 176.870 -0.080 0.000 1.084 407 L CA -1.026 53.809 54.840 -0.007 0.000 0.802 407 L CB 0.812 42.796 42.059 -0.125 0.000 1.175 407 L HN 0.137 nan 8.230 nan 0.000 0.448 408 D N 2.396 122.729 120.400 -0.112 0.000 2.502 408 D HA -0.138 4.502 4.640 -0.001 0.000 0.249 408 D C 0.998 177.051 176.300 -0.412 0.000 1.188 408 D CA 0.045 53.886 54.000 -0.265 0.000 0.890 408 D CB 0.643 41.327 40.800 -0.195 0.000 1.140 408 D HN 0.532 nan 8.370 nan 0.000 0.505 409 W N 5.134 126.156 121.300 -0.463 0.000 2.421 409 W HA -0.127 4.533 4.660 -0.001 0.000 0.270 409 W C 1.054 177.243 176.519 -0.550 0.000 1.233 409 W CA -0.130 56.950 57.345 -0.441 0.000 1.226 409 W CB -0.586 28.699 29.460 -0.291 0.000 1.121 409 W HN 0.373 nan 8.180 nan 0.000 0.579 410 R N 0.367 120.243 120.500 -1.039 0.000 2.189 410 R HA -0.020 4.320 4.340 -0.001 0.000 0.218 410 R C 2.447 178.525 176.300 -0.371 0.000 1.074 410 R CA 1.575 57.179 56.100 -0.828 0.000 0.991 410 R CB -0.408 29.407 30.300 -0.808 0.000 0.883 410 R HN 0.229 nan 8.270 nan 0.000 0.457 411 M N -0.343 118.909 119.600 -0.580 0.000 2.086 411 M HA -0.090 4.390 4.480 -0.001 0.000 0.261 411 M C 2.401 178.518 176.300 -0.305 0.000 1.067 411 M CA 1.940 56.748 55.300 -0.820 0.000 1.116 411 M CB -0.553 31.296 32.600 -1.251 0.000 1.348 411 M HN 0.334 nan 8.290 nan 0.000 0.407 412 G N -0.052 108.418 108.800 -0.550 0.000 2.418 412 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.217 412 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.217 412 G C 1.647 176.084 174.900 -0.772 0.000 1.158 412 G CA 0.985 45.718 45.100 -0.611 0.000 0.771 412 G HN 0.535 nan 8.290 nan 0.000 0.545 413 A N 0.862 122.812 122.820 -1.450 0.000 1.902 413 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 413 A C 2.170 179.559 177.584 -0.326 0.000 1.181 413 A CA 1.912 53.175 52.037 -1.290 0.000 0.623 413 A CB -0.400 17.951 19.000 -1.081 0.000 0.818 413 A HN 0.448 nan 8.150 nan 0.000 0.443 414 E N -1.482 118.720 120.200 0.003 0.000 2.150 414 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 414 E C 1.855 178.791 176.600 0.560 0.000 0.985 414 E CA 0.723 57.314 56.400 0.318 0.000 0.814 414 E CB -0.229 29.703 29.700 0.386 0.000 0.752 414 E HN 0.892 nan 8.360 nan 0.000 0.466 415 W N 0.426 121.990 121.300 0.440 0.000 2.381 415 W HA -0.199 4.460 4.660 -0.001 0.000 0.301 415 W C 1.390 178.133 176.519 0.374 0.000 1.205 415 W CA 0.688 58.258 57.345 0.375 0.000 1.285 415 W CB -0.115 29.650 29.460 0.509 0.000 1.133 415 W HN 0.036 nan 8.180 nan 0.000 0.521 416 F N 1.467 121.503 119.950 0.144 0.000 2.161 416 F HA -0.205 4.322 4.527 -0.001 0.000 0.300 416 F C 2.512 178.238 175.800 -0.124 0.000 1.089 416 F CA 1.930 59.944 58.000 0.023 0.000 1.282 416 F CB -1.325 37.856 39.000 0.301 0.000 1.010 416 F HN 0.041 nan 8.300 nan 0.000 0.485 417 E N -0.366 119.841 120.200 0.012 0.000 2.077 417 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 417 E C 1.955 178.299 176.600 -0.426 0.000 0.989 417 E CA 1.920 58.017 56.400 -0.505 0.000 0.800 417 E CB -0.078 29.311 29.700 -0.518 0.000 0.746 417 E HN 0.308 nan 8.360 nan 0.000 0.452 418 T N -0.283 114.137 114.554 -0.224 0.000 2.708 418 T HA -0.154 4.196 4.350 -0.001 0.000 0.266 418 T C 1.951 176.441 174.700 -0.351 0.000 1.037 418 T CA 1.341 63.293 62.100 -0.248 0.000 1.146 418 T CB -0.313 68.416 68.868 -0.232 0.000 0.865 418 T HN 0.334 nan 8.240 nan 0.000 0.435 419 C N 0.361 119.360 119.300 -0.502 0.000 2.507 419 C HA 0.389 4.848 4.460 -0.001 0.000 0.280 419 C C 1.180 175.969 174.990 -0.335 0.000 1.345 419 C CA -0.678 58.035 59.018 -0.508 0.000 1.736 419 C CB -0.817 26.463 27.740 -0.768 0.000 2.060 419 C HN 0.432 nan 8.230 nan 0.000 0.498 420 L N 1.994 123.046 121.223 -0.285 0.000 2.410 420 L HA 0.103 4.442 4.340 -0.001 0.000 0.273 420 L C 1.179 177.948 176.870 -0.168 0.000 1.144 420 L CA -0.155 54.539 54.840 -0.243 0.000 0.863 420 L CB 0.582 42.532 42.059 -0.182 0.000 1.140 420 L HN 0.361 nan 8.230 nan 0.000 0.463 421 L N 2.191 123.264 121.223 -0.250 0.000 2.079 421 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 421 L C 1.504 178.214 176.870 -0.266 0.000 1.081 421 L CA 1.242 55.889 54.840 -0.322 0.000 0.752 421 L CB -0.419 41.233 42.059 -0.678 0.000 0.896 421 L HN 0.812 nan 8.230 nan 0.000 0.433 422 D N -2.019 118.219 120.400 -0.271 0.000 2.336 422 D HA -0.117 4.523 4.640 -0.001 0.000 0.228 422 D C 0.571 176.785 176.300 -0.143 0.000 1.120 422 D CA -0.560 53.313 54.000 -0.212 0.000 0.839 422 D CB -0.620 40.065 40.800 -0.191 0.000 0.932 422 D HN 0.211 nan 8.370 nan 0.000 0.509 423 Y N 1.934 122.123 120.300 -0.186 0.000 2.881 423 Y HA 0.161 4.711 4.550 -0.001 0.000 0.335 423 Y C -0.406 175.421 175.900 -0.123 0.000 1.263 423 Y CA 0.193 58.223 58.100 -0.117 0.000 1.572 423 Y CB 0.370 38.778 38.460 -0.087 0.000 1.237 423 Y HN -0.005 nan 8.280 nan 0.000 0.568 424 D N 8.756 128.602 120.400 -0.924 0.000 2.855 424 D HA 0.203 4.843 4.640 -0.001 0.000 0.241 424 D C -2.296 173.570 176.300 -0.723 0.000 1.277 424 D CA -1.853 51.695 54.000 -0.753 0.000 0.918 424 D CB 2.460 43.055 40.800 -0.342 0.000 1.462 424 D HN 0.306 nan 8.370 nan 0.000 0.559 425 P HA -0.103 nan 4.420 nan 0.000 0.216 425 P C 1.568 178.977 177.300 0.182 0.000 1.150 425 P CA 0.784 63.923 63.100 0.064 0.000 0.837 425 P CB 0.213 32.029 31.700 0.194 0.000 0.786 426 C N -0.204 119.104 119.300 0.012 0.000 2.436 426 C HA -0.065 4.394 4.460 -0.001 0.000 0.277 426 C C 3.082 178.032 174.990 -0.067 0.000 1.241 426 C CA 1.520 60.542 59.018 0.006 0.000 1.721 426 C CB -1.800 25.936 27.740 -0.007 0.000 2.043 426 C HN 0.278 nan 8.230 nan 0.000 0.472 427 S N 0.884 116.518 115.700 -0.111 0.000 2.368 427 S HA -0.142 4.327 4.470 -0.001 0.000 0.224 427 S C 1.707 176.143 174.600 -0.273 0.000 1.029 427 S CA 1.560 59.620 58.200 -0.234 0.000 0.988 427 S CB -0.544 62.590 63.200 -0.111 0.000 0.838 427 S HN 0.686 nan 8.310 nan 0.000 0.462 428 N N 0.589 119.249 118.700 -0.066 0.000 2.062 428 N HA -0.090 4.650 4.740 -0.001 0.000 0.191 428 N C 1.471 177.039 175.510 0.097 0.000 1.042 428 N CA 1.663 54.769 53.050 0.093 0.000 0.845 428 N CB -0.403 38.248 38.487 0.273 0.000 1.024 428 N HN 0.427 nan 8.380 nan 0.000 0.424 429 Y N -0.035 120.380 120.300 0.191 0.000 2.314 429 Y HA 0.122 4.671 4.550 -0.001 0.000 0.293 429 Y C 2.427 178.289 175.900 -0.062 0.000 1.129 429 Y CA 1.065 59.291 58.100 0.209 0.000 1.201 429 Y CB -0.681 37.945 38.460 0.277 0.000 0.999 429 Y HN 0.168 nan 8.280 nan 0.000 0.541 430 G N 0.231 108.924 108.800 -0.177 0.000 2.459 430 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 430 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 430 G C 1.650 176.123 174.900 -0.711 0.000 1.183 430 G CA 1.188 45.968 45.100 -0.533 0.000 0.776 430 G HN 0.318 nan 8.290 nan 0.000 0.552 431 N N -0.200 117.971 118.700 -0.882 0.000 2.188 431 N HA -0.087 4.653 4.740 -0.001 0.000 0.184 431 N C 1.995 177.292 175.510 -0.354 0.000 1.018 431 N CA 0.872 53.561 53.050 -0.602 0.000 0.858 431 N CB -0.212 37.934 38.487 -0.569 0.000 0.989 431 N HN 0.533 nan 8.380 nan 0.000 0.426 432 W N 1.556 122.652 121.300 -0.339 0.000 2.358 432 W HA -0.150 4.510 4.660 -0.001 0.000 0.303 432 W C 2.733 178.890 176.519 -0.603 0.000 1.208 432 W CA 1.852 58.972 57.345 -0.374 0.000 1.274 432 W CB -0.656 28.659 29.460 -0.242 0.000 1.138 432 W HN 0.144 nan 8.180 nan 0.000 0.515 433 T N -3.217 111.097 114.554 -0.400 0.000 2.821 433 T HA -0.285 4.065 4.350 -0.001 0.000 0.267 433 T C 1.544 176.121 174.700 -0.205 0.000 1.046 433 T CA 1.293 63.074 62.100 -0.532 0.000 1.139 433 T CB -0.993 67.702 68.868 -0.288 0.000 0.871 433 T HN 0.053 nan 8.240 nan 0.000 0.454 434 Y N 2.355 122.540 120.300 -0.192 0.000 2.089 434 Y HA 0.121 4.671 4.550 -0.001 0.000 0.282 434 Y C 3.022 178.845 175.900 -0.128 0.000 1.139 434 Y CA 1.133 59.188 58.100 -0.075 0.000 1.123 434 Y CB -1.113 37.367 38.460 0.035 0.000 0.980 434 Y HN 0.341 nan 8.280 nan 0.000 0.493 435 G N -0.987 107.788 108.800 -0.042 0.000 2.442 435 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.219 435 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.219 435 G C 1.741 176.563 174.900 -0.131 0.000 1.141 435 G CA 0.924 45.948 45.100 -0.128 0.000 0.763 435 G HN 0.478 nan 8.290 nan 0.000 0.554 436 A N -0.321 122.370 122.820 -0.215 0.000 2.206 436 A HA 0.447 4.766 4.320 -0.001 0.000 0.211 436 A C 2.030 179.499 177.584 -0.191 0.000 1.158 436 A CA 1.336 53.223 52.037 -0.251 0.000 0.761 436 A CB -0.478 18.201 19.000 -0.535 0.000 0.801 436 A HN 1.644 nan 8.150 nan 0.000 0.473 437 G N -1.236 107.471 108.800 -0.156 0.000 2.147 437 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.244 437 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.244 437 G C 0.667 175.509 174.900 -0.097 0.000 1.005 437 G CA 0.800 45.843 45.100 -0.096 0.000 0.713 437 G HN 1.703 nan 8.290 nan 0.000 0.515 438 V N -2.248 117.563 119.914 -0.172 0.000 3.176 438 V HA 0.732 4.852 4.120 -0.001 0.000 0.332 438 V C 1.147 177.175 176.094 -0.112 0.000 1.414 438 V CA 0.598 62.830 62.300 -0.113 0.000 1.133 438 V CB 0.110 31.869 31.823 -0.107 0.000 1.088 438 V HN 1.054 nan 8.190 nan 0.000 0.473 439 G N 1.641 110.348 108.800 -0.156 0.000 2.588 439 G HA2 0.233 4.192 3.960 -0.001 0.000 0.281 439 G HA3 0.233 4.192 3.960 -0.001 0.000 0.281 439 G C 0.725 175.558 174.900 -0.112 0.000 1.236 439 G CA 0.045 45.069 45.100 -0.126 0.000 0.969 439 G HN 0.404 nan 8.290 nan 0.000 0.504 440 N N -0.393 118.281 118.700 -0.043 0.000 2.459 440 N HA -0.071 4.668 4.740 -0.001 0.000 0.181 440 N C -0.240 175.246 175.510 -0.040 0.000 1.046 440 N CA 0.471 53.514 53.050 -0.012 0.000 0.904 440 N CB 0.306 38.822 38.487 0.048 0.000 0.964 440 N HN 0.401 nan 8.380 nan 0.000 0.444 441 D N 1.842 122.164 120.400 -0.130 0.000 2.472 441 D HA 0.351 4.991 4.640 -0.001 0.000 0.234 441 D C -2.111 174.102 176.300 -0.145 0.000 1.088 441 D CA -1.868 52.071 54.000 -0.103 0.000 0.882 441 D CB 1.201 41.978 40.800 -0.039 0.000 1.037 441 D HN 0.031 nan 8.370 nan 0.000 0.520 447 Y N 0.416 120.684 120.300 -0.053 0.000 2.319 447 Y HA 0.718 5.268 4.550 -0.001 0.000 0.328 447 Y C -0.449 175.383 175.900 -0.112 0.000 1.133 447 Y CA -0.864 57.225 58.100 -0.018 0.000 1.265 447 Y CB 0.747 39.176 38.460 -0.050 0.000 1.218 447 Y HN 0.368 nan 8.280 nan 0.000 0.508 448 F N 4.023 123.576 119.950 -0.662 0.000 2.404 448 F HA 0.241 4.767 4.527 -0.001 0.000 0.354 448 F C 0.427 175.827 175.800 -0.667 0.000 1.122 448 F CA -0.437 57.279 58.000 -0.473 0.000 1.080 448 F CB 1.375 40.182 39.000 -0.321 0.000 1.131 448 F HN 0.395 nan 8.300 nan 0.000 0.471 449 S N 4.927 120.537 115.700 -0.149 0.000 2.455 449 S HA 0.207 4.676 4.470 -0.001 0.000 0.278 449 S C 1.531 176.160 174.600 0.048 0.000 1.216 449 S CA -0.736 57.448 58.200 -0.027 0.000 1.055 449 S CB -0.035 63.246 63.200 0.136 0.000 0.939 449 S HN 0.482 nan 8.310 nan 0.000 0.494 450 I N 7.355 127.948 120.570 0.038 0.000 2.226 450 I HA -0.024 4.146 4.170 -0.001 0.000 0.245 450 I C -0.684 175.493 176.117 0.100 0.000 1.100 450 I CA 0.806 62.133 61.300 0.045 0.000 1.374 450 I CB -2.748 35.238 38.000 -0.022 0.000 1.057 450 I HN 0.496 nan 8.210 nan 0.000 0.413 451 P HA -0.164 nan 4.420 nan 0.000 0.216 451 P C 1.843 179.207 177.300 0.107 0.000 1.153 451 P CA 1.451 64.634 63.100 0.138 0.000 0.848 451 P CB -0.085 31.715 31.700 0.165 0.000 0.787 452 K N -0.235 120.236 120.400 0.118 0.000 2.057 452 K HA -0.176 4.144 4.320 -0.001 0.000 0.206 452 K C 2.142 178.791 176.600 0.082 0.000 1.050 452 K CA 1.252 57.588 56.287 0.083 0.000 0.935 452 K CB -0.225 32.328 32.500 0.089 0.000 0.715 452 K HN 0.003 nan 8.250 nan 0.000 0.439 453 Q N 0.101 119.983 119.800 0.137 0.000 2.084 453 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 453 Q C 2.097 178.204 176.000 0.178 0.000 0.978 453 Q CA 1.557 57.498 55.803 0.229 0.000 0.844 453 Q CB -0.419 28.441 28.738 0.203 0.000 0.898 453 Q HN 0.394 nan 8.270 nan 0.000 0.426 454 A N 0.813 123.696 122.820 0.104 0.000 1.908 454 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 454 A C 2.146 179.757 177.584 0.044 0.000 1.181 454 A CA 1.944 54.028 52.037 0.077 0.000 0.627 454 A CB -0.505 18.538 19.000 0.071 0.000 0.818 454 A HN 0.313 nan 8.150 nan 0.000 0.445 455 Q N 0.229 120.041 119.800 0.021 0.000 2.119 455 Q HA -0.115 4.225 4.340 -0.001 0.000 0.201 455 Q C 1.558 177.503 176.000 -0.092 0.000 0.972 455 Q CA 2.129 57.920 55.803 -0.020 0.000 0.847 455 Q CB -0.310 28.420 28.738 -0.014 0.000 0.903 455 Q HN 0.647 nan 8.270 nan 0.000 0.433 456 N N -1.251 117.345 118.700 -0.174 0.000 2.333 456 N HA -0.050 4.690 4.740 -0.001 0.000 0.178 456 N C 0.368 175.501 175.510 -0.629 0.000 1.018 456 N CA 0.985 53.764 53.050 -0.451 0.000 0.882 456 N CB 0.063 38.150 38.487 -0.667 0.000 0.984 456 N HN 0.364 nan 8.380 nan 0.000 0.434 457 Y N -1.081 119.189 120.300 -0.050 0.000 2.500 457 Y HA 0.319 4.869 4.550 -0.001 0.000 0.246 457 Y C -0.026 175.820 175.900 -0.090 0.000 1.146 457 Y CA -0.506 57.541 58.100 -0.088 0.000 1.230 457 Y CB 0.787 39.175 38.460 -0.120 0.000 1.214 457 Y HN -0.168 nan 8.280 nan 0.000 0.526 458 D N 0.021 120.451 120.400 0.050 0.000 2.945 458 D HA 0.196 4.836 4.640 -0.001 0.000 0.340 458 D C -2.069 174.249 176.300 0.030 0.000 1.240 458 D CA -1.894 52.137 54.000 0.052 0.000 0.749 458 D CB 0.756 41.615 40.800 0.098 0.000 1.217 458 D HN -0.079 nan 8.370 nan 0.000 0.514 459 P HA -0.125 nan 4.420 nan 0.000 0.216 459 P C 0.761 178.063 177.300 0.003 0.000 1.150 459 P CA 1.068 64.159 63.100 -0.014 0.000 0.837 459 P CB 0.536 32.215 31.700 -0.036 0.000 0.786 460 E N -1.339 118.869 120.200 0.012 0.000 2.479 460 E HA 0.156 4.505 4.350 -0.001 0.000 0.193 460 E C 1.422 178.039 176.600 0.028 0.000 1.049 460 E CA 0.546 56.955 56.400 0.016 0.000 0.870 460 E CB -0.592 29.117 29.700 0.014 0.000 0.944 460 E HN 0.296 nan 8.360 nan 0.000 0.492 461 G N 2.297 111.125 108.800 0.045 0.000 2.198 461 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.260 461 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.260 461 G C 0.857 175.801 174.900 0.074 0.000 1.025 461 G CA 0.840 45.976 45.100 0.060 0.000 0.769 461 G HN 0.260 nan 8.290 nan 0.000 0.507 462 E N -1.142 119.111 120.200 0.087 0.000 2.152 462 E HA 0.037 4.387 4.350 -0.001 0.000 0.192 462 E C 1.847 178.532 176.600 0.141 0.000 0.983 462 E CA 1.409 57.859 56.400 0.085 0.000 0.818 462 E CB -0.240 29.494 29.700 0.058 0.000 0.758 462 E HN 0.714 nan 8.360 nan 0.000 0.467 463 Y N 0.357 120.699 120.300 0.071 0.000 2.109 463 Y HA -0.196 4.353 4.550 -0.001 0.000 0.285 463 Y C 2.104 178.150 175.900 0.243 0.000 1.131 463 Y CA 1.945 60.135 58.100 0.149 0.000 1.121 463 Y CB -0.572 37.955 38.460 0.112 0.000 0.987 463 Y HN 0.015 nan 8.280 nan 0.000 0.495 464 V N -0.581 119.407 119.914 0.123 0.000 2.407 464 V HA -0.152 3.967 4.120 -0.001 0.000 0.248 464 V C 2.336 178.419 176.094 -0.018 0.000 1.055 464 V CA 1.761 64.066 62.300 0.008 0.000 1.049 464 V CB -1.928 29.922 31.823 0.046 0.000 0.662 464 V HN 0.449 nan 8.190 nan 0.000 0.455 465 A N -0.046 122.777 122.820 0.006 0.000 1.930 465 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 465 A C 2.098 179.650 177.584 -0.055 0.000 1.175 465 A CA 1.801 53.827 52.037 -0.018 0.000 0.627 465 A CB -0.868 18.132 19.000 -0.000 0.000 0.815 465 A HN 0.669 nan 8.150 nan 0.000 0.443 466 F N -1.284 118.535 119.950 -0.219 0.000 2.134 466 F HA -0.182 4.345 4.527 -0.001 0.000 0.299 466 F C 1.901 177.402 175.800 -0.499 0.000 1.097 466 F CA 1.856 59.618 58.000 -0.398 0.000 1.264 466 F CB -0.169 38.554 39.000 -0.461 0.000 1.001 466 F HN 0.393 nan 8.300 nan 0.000 0.479 467 W N 0.207 121.376 121.300 -0.218 0.000 2.576 467 W HA 0.221 4.881 4.660 -0.001 0.000 0.275 467 W C -0.008 176.396 176.519 -0.191 0.000 1.241 467 W CA 0.059 57.249 57.345 -0.258 0.000 1.328 467 W CB 0.080 29.389 29.460 -0.252 0.000 1.092 467 W HN -0.280 nan 8.180 nan 0.000 0.586 468 L N 2.843 124.092 121.223 0.043 0.000 2.321 468 L HA 0.179 4.518 4.340 -0.001 0.000 0.272 468 L C 1.485 178.351 176.870 -0.007 0.000 1.050 468 L CA -0.495 54.376 54.840 0.051 0.000 0.893 468 L CB 0.866 42.960 42.059 0.058 0.000 1.272 468 L HN 0.071 nan 8.230 nan 0.000 0.435 469 Q N 2.551 122.332 119.800 -0.031 0.000 2.234 469 Q HA -0.237 4.103 4.340 -0.001 0.000 0.206 469 Q C 1.477 177.468 176.000 -0.016 0.000 0.980 469 Q CA 1.340 57.108 55.803 -0.059 0.000 0.869 469 Q CB -0.272 28.424 28.738 -0.070 0.000 0.912 469 Q HN 0.809 nan 8.270 nan 0.000 0.436 470 Q N 0.776 120.595 119.800 0.032 0.000 2.369 470 Q HA -0.026 4.314 4.340 -0.001 0.000 0.206 470 Q C 1.838 177.862 176.000 0.040 0.000 0.963 470 Q CA 0.790 56.623 55.803 0.051 0.000 0.894 470 Q CB -0.248 28.551 28.738 0.102 0.000 0.965 470 Q HN 0.462 nan 8.270 nan 0.000 0.475 471 L N -0.001 121.232 121.223 0.016 0.000 2.529 471 L HA 0.153 4.493 4.340 -0.001 0.000 0.223 471 L C 2.360 179.220 176.870 -0.016 0.000 1.113 471 L CA 0.044 54.876 54.840 -0.014 0.000 0.861 471 L CB -0.118 41.904 42.059 -0.062 0.000 1.012 471 L HN 0.093 nan 8.230 nan 0.000 0.461 472 R N 1.020 121.508 120.500 -0.020 0.000 2.105 472 R HA -0.165 4.175 4.340 -0.001 0.000 0.239 472 R C 2.356 178.651 176.300 -0.009 0.000 1.135 472 R CA 1.556 57.644 56.100 -0.021 0.000 0.967 472 R CB -0.301 29.977 30.300 -0.035 0.000 0.861 472 R HN 0.443 nan 8.270 nan 0.000 0.442 473 R N 0.760 121.257 120.500 -0.004 0.000 2.235 473 R HA 0.001 4.341 4.340 -0.001 0.000 0.213 473 R C 0.610 176.911 176.300 0.002 0.000 1.059 473 R CA 0.557 56.657 56.100 0.000 0.000 0.997 473 R CB -0.365 29.937 30.300 0.003 0.000 0.884 473 R HN 0.099 nan 8.270 nan 0.000 0.462 487 Y N 1.539 121.827 120.300 -0.019 0.000 3.196 487 Y HA 0.662 5.212 4.550 -0.001 0.000 0.151 487 Y C -0.558 175.323 175.900 -0.032 0.000 0.881 487 Y CA 0.753 58.838 58.100 -0.025 0.000 1.879 487 Y CB 0.830 39.273 38.460 -0.029 0.000 1.346 487 Y HN 0.086 nan 8.280 nan 0.000 0.308 488 M N -0.364 119.123 119.600 -0.189 0.000 3.015 488 M HA 0.356 4.836 4.480 -0.001 0.000 0.272 488 M C -2.178 174.064 176.300 -0.098 0.000 1.085 488 M CA -0.947 54.212 55.300 -0.235 0.000 0.795 488 M CB 1.641 33.980 32.600 -0.434 0.000 1.632 488 M HN 0.024 nan 8.290 nan 0.000 0.535 489 D N 2.488 122.837 120.400 -0.085 0.000 2.357 489 D HA 0.405 5.045 4.640 -0.001 0.000 0.242 489 D C -0.085 176.170 176.300 -0.074 0.000 1.153 489 D CA 0.440 54.408 54.000 -0.054 0.000 0.918 489 D CB 1.228 42.009 40.800 -0.031 0.000 1.181 489 D HN 0.720 nan 8.370 nan 0.000 0.435 490 T N -2.438 112.066 114.554 -0.083 0.000 2.845 490 T HA 0.200 4.550 4.350 -0.001 0.000 0.288 490 T C 0.938 175.665 174.700 0.045 0.000 0.980 490 T CA -0.873 61.154 62.100 -0.122 0.000 1.071 490 T CB 1.397 70.115 68.868 -0.249 0.000 0.941 490 T HN 0.098 nan 8.240 nan 0.000 0.487 491 V N 2.966 122.960 119.914 0.133 0.000 2.548 491 V HA 0.137 4.256 4.120 -0.001 0.000 0.249 491 V C 0.736 176.941 176.094 0.185 0.000 1.055 491 V CA 1.826 64.222 62.300 0.159 0.000 1.065 491 V CB -0.339 31.600 31.823 0.194 0.000 0.681 491 V HN 0.916 nan 8.190 nan 0.000 0.462 492 V N -2.949 117.137 119.914 0.286 0.000 3.147 492 V HA 0.691 4.811 4.120 -0.001 0.000 0.306 492 V C -2.982 173.315 176.094 0.337 0.000 1.209 492 V CA -1.949 60.494 62.300 0.237 0.000 1.023 492 V CB 1.506 33.418 31.823 0.149 0.000 1.059 492 V HN 0.117 nan 8.190 nan 0.000 0.435 493 P HA 0.426 nan 4.420 nan 0.000 0.279 493 P C -0.976 176.468 177.300 0.239 0.000 1.252 493 P CA -0.463 62.797 63.100 0.267 0.000 0.811 493 P CB 1.001 32.802 31.700 0.169 0.000 1.035 494 L N 2.223 123.614 121.223 0.280 0.000 2.439 494 L HA 0.173 4.513 4.340 -0.001 0.000 0.269 494 L C 1.839 178.890 176.870 0.303 0.000 1.179 494 L CA 0.464 55.484 54.840 0.300 0.000 0.828 494 L CB -0.051 42.273 42.059 0.442 0.000 1.106 494 L HN 0.661 nan 8.230 nan 0.000 0.467 495 K N 1.417 121.978 120.400 0.267 0.000 2.054 495 K HA 0.008 4.328 4.320 -0.001 0.000 0.207 495 K C -0.293 176.346 176.600 0.064 0.000 1.031 495 K CA 0.239 56.579 56.287 0.088 0.000 0.952 495 K CB 0.193 32.676 32.500 -0.029 0.000 0.775 495 K HN 0.682 nan 8.250 nan 0.000 0.447 496 H N 0.000 118.745 119.070 -0.541 0.000 2.539 496 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 496 H CA 0.000 55.683 56.048 -0.608 0.000 1.023 496 H CB 0.000 29.660 29.762 -0.171 0.000 1.292 496 H HN 0.000 nan 8.280 nan 0.000 0.496