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 3ii0_1_A DATA FIRST_RESID 15 DATA SEQUENCE PVLVFKLTAD FREDPDPRKV NLGVGAYRTD DCHPWVLPVV KKVEQKIAND DATA SEQUENCE NSLNHEYLPI LGLAEFRSCA SRLALGDDSP ALKEKRVGGV QSLGGTGALR DATA SEQUENCE IGADFLARWY NGTNNKNTPV YVSSPTWENH NAVFSAAGFK DIRSYRYWDA DATA SEQUENCE EKRGLDLQGF LNDLENAPEF SIVVLHACAH NPTGIDPTPE QWKQIASVMK DATA SEQUENCE HRFLFPFFDS AYQGFASGNL ERDAWAIRYF VSEGFEFFCA QSFSKNFGLY DATA SEQUENCE NERVGNLTVV GKEPESILQV LSQMEKIVRI TWSNPPAQGA RIVASTLSNP DATA SEQUENCE ELFEEWTGNV KTMADRILTM RSELRARLEA LKTPGTWNHI TDQIGMFSFT DATA SEQUENCE GLNPKQVEYL VNEKHIYLLP SGRINVSGLT TKNLDYVATS IHEAVTKIAE DATA SEQUENCE NLYFQ 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 15 P HA 0.000 nan 4.420 nan 0.000 0.216 15 P C 0.000 177.193 177.300 -0.179 0.000 1.155 15 P CA 0.000 62.984 63.100 -0.194 0.000 0.800 15 P CB 0.000 31.551 31.700 -0.248 0.000 0.726 16 V N -2.006 117.854 119.914 -0.090 0.000 3.085 16 V HA 0.243 4.360 4.120 -0.003 0.000 0.345 16 V C 1.466 177.539 176.094 -0.035 0.000 1.397 16 V CA -0.225 62.057 62.300 -0.030 0.000 1.165 16 V CB 0.500 32.373 31.823 0.083 0.000 1.153 16 V HN 0.015 nan 8.190 nan 0.000 0.495 17 L N 1.641 122.813 121.223 -0.085 0.000 1.994 17 L HA -0.068 4.270 4.340 -0.003 0.000 0.208 17 L C 2.743 179.587 176.870 -0.044 0.000 1.071 17 L CA 2.913 57.726 54.840 -0.046 0.000 0.745 17 L CB -0.476 41.549 42.059 -0.056 0.000 0.892 17 L HN 0.501 nan 8.230 nan 0.000 0.431 18 V N -3.775 116.051 119.914 -0.146 0.000 2.392 18 V HA -0.295 3.823 4.120 -0.003 0.000 0.249 18 V C 2.323 178.422 176.094 0.008 0.000 1.059 18 V CA 1.892 64.122 62.300 -0.117 0.000 1.051 18 V CB -1.391 30.313 31.823 -0.198 0.000 0.658 18 V HN 0.353 nan 8.190 nan 0.000 0.455 19 F N 0.606 120.589 119.950 0.054 0.000 2.259 19 F HA 0.033 4.558 4.527 -0.003 0.000 0.298 19 F C 2.537 178.360 175.800 0.039 0.000 1.088 19 F CA 1.251 59.279 58.000 0.047 0.000 1.358 19 F CB -0.157 38.871 39.000 0.048 0.000 1.040 19 F HN 0.178 nan 8.300 nan 0.000 0.505 20 K N 1.440 121.962 120.400 0.203 0.000 2.057 20 K HA -0.098 4.220 4.320 -0.003 0.000 0.206 20 K C 1.863 178.538 176.600 0.124 0.000 1.050 20 K CA 1.182 57.550 56.287 0.135 0.000 0.935 20 K CB -0.655 31.904 32.500 0.099 0.000 0.715 20 K HN 0.225 nan 8.250 nan 0.000 0.439 21 L N 0.360 121.658 121.223 0.125 0.000 2.013 21 L HA -0.245 4.093 4.340 -0.003 0.000 0.212 21 L C 2.022 178.939 176.870 0.078 0.000 1.073 21 L CA 2.039 56.965 54.840 0.144 0.000 0.753 21 L CB -0.668 41.477 42.059 0.144 0.000 0.890 21 L HN 0.327 nan 8.230 nan 0.000 0.432 22 T N -0.407 114.207 114.554 0.100 0.000 2.746 22 T HA -0.174 4.174 4.350 -0.003 0.000 0.267 22 T C 1.900 176.658 174.700 0.097 0.000 1.039 22 T CA 1.262 63.415 62.100 0.089 0.000 1.142 22 T CB -0.228 68.721 68.868 0.135 0.000 0.866 22 T HN 0.485 nan 8.240 nan 0.000 0.444 23 A N 2.006 124.878 122.820 0.086 0.000 1.902 23 A HA -0.158 4.160 4.320 -0.003 0.000 0.217 23 A C 2.102 179.695 177.584 0.015 0.000 1.181 23 A CA 1.770 53.839 52.037 0.053 0.000 0.623 23 A CB -0.633 18.403 19.000 0.060 0.000 0.818 23 A HN 0.353 nan 8.150 nan 0.000 0.443 24 D N -1.023 119.385 120.400 0.014 0.000 2.117 24 D HA -0.132 4.506 4.640 -0.003 0.000 0.197 24 D C 1.613 177.796 176.300 -0.195 0.000 0.987 24 D CA 1.331 55.331 54.000 -0.001 0.000 0.829 24 D CB -0.505 40.383 40.800 0.148 0.000 0.961 24 D HN 0.525 nan 8.370 nan 0.000 0.460 25 F N 1.896 121.461 119.950 -0.642 0.000 2.134 25 F HA -0.135 4.390 4.527 -0.004 0.000 0.299 25 F C 2.266 177.883 175.800 -0.305 0.000 1.097 25 F CA 1.377 58.876 58.000 -0.836 0.000 1.264 25 F CB 0.039 38.549 39.000 -0.817 0.000 1.001 25 F HN -0.220 nan 8.300 nan 0.000 0.479 26 R N 0.115 120.489 120.500 -0.210 0.000 2.081 26 R HA -0.123 4.215 4.340 -0.003 0.000 0.235 26 R C 2.168 178.322 176.300 -0.242 0.000 1.131 26 R CA 1.697 57.656 56.100 -0.235 0.000 0.960 26 R CB -0.603 29.679 30.300 -0.029 0.000 0.856 26 R HN 0.282 nan 8.270 nan 0.000 0.436 27 E N 0.540 120.648 120.200 -0.155 0.000 2.274 27 E HA -0.081 4.267 4.350 -0.003 0.000 0.194 27 E C 0.176 176.712 176.600 -0.107 0.000 0.996 27 E CA 0.291 56.631 56.400 -0.101 0.000 0.840 27 E CB -0.376 29.299 29.700 -0.041 0.000 0.772 27 E HN 0.284 nan 8.360 nan 0.000 0.491 28 D N 0.818 121.131 120.400 -0.144 0.000 2.434 28 D HA -0.007 4.631 4.640 -0.003 0.000 0.252 28 D C -1.413 174.793 176.300 -0.158 0.000 1.185 28 D CA -1.833 52.120 54.000 -0.078 0.000 0.886 28 D CB 1.418 42.241 40.800 0.038 0.000 1.148 28 D HN 0.084 nan 8.370 nan 0.000 0.483 29 P HA -0.012 nan 4.420 nan 0.000 0.235 29 P C 0.282 177.473 177.300 -0.181 0.000 1.177 29 P CA -0.082 62.935 63.100 -0.138 0.000 0.785 29 P CB 0.343 31.987 31.700 -0.094 0.000 0.885 30 D N 2.046 122.285 120.400 -0.268 0.000 2.450 30 D HA -0.009 4.629 4.640 -0.003 0.000 0.247 30 D C -1.175 174.976 176.300 -0.249 0.000 1.162 30 D CA -1.188 52.595 54.000 -0.362 0.000 0.879 30 D CB 1.395 41.670 40.800 -0.874 0.000 1.163 30 D HN 0.077 nan 8.370 nan 0.000 0.472 31 P HA -0.025 nan 4.420 nan 0.000 0.229 31 P C 0.799 178.005 177.300 -0.157 0.000 1.160 31 P CA 0.593 63.604 63.100 -0.149 0.000 0.777 31 P CB 0.275 31.900 31.700 -0.124 0.000 0.814 32 R N 0.582 120.964 120.500 -0.196 0.000 2.313 32 R HA 0.048 4.386 4.340 -0.003 0.000 0.199 32 R C 1.032 177.282 176.300 -0.083 0.000 0.958 32 R CA 0.043 55.968 56.100 -0.291 0.000 1.047 32 R CB -0.346 29.684 30.300 -0.451 0.000 0.955 32 R HN 0.384 nan 8.270 nan 0.000 0.481 33 K N 0.806 121.237 120.400 0.052 0.000 2.436 33 K HA 0.183 4.501 4.320 -0.003 0.000 0.275 33 K C -0.533 176.334 176.600 0.446 0.000 0.999 33 K CA -0.082 56.389 56.287 0.308 0.000 0.980 33 K CB 1.070 33.698 32.500 0.213 0.000 0.919 33 K HN -0.245 nan 8.250 nan 0.000 0.484 34 V N 2.012 122.260 119.914 0.557 0.000 2.686 34 V HA 0.136 4.254 4.120 -0.003 0.000 0.306 34 V C -0.997 175.208 176.094 0.185 0.000 1.065 34 V CA -1.099 61.410 62.300 0.349 0.000 0.894 34 V CB 1.690 33.650 31.823 0.229 0.000 1.004 34 V HN 0.882 nan 8.190 nan 0.000 0.424 35 N N 4.205 122.680 118.700 -0.376 0.000 2.500 35 N HA 0.403 5.141 4.740 -0.003 0.000 0.236 35 N C -0.112 175.268 175.510 -0.216 0.000 1.022 35 N CA -0.245 52.450 53.050 -0.592 0.000 0.935 35 N CB 0.882 38.560 38.487 -1.349 0.000 1.147 35 N HN 0.707 nan 8.380 nan 0.000 0.512 36 L N 2.204 123.404 121.223 -0.038 0.000 2.965 36 L HA 0.381 4.719 4.340 -0.003 0.000 0.254 36 L C 1.578 178.482 176.870 0.057 0.000 1.220 36 L CA -0.379 54.468 54.840 0.012 0.000 1.023 36 L CB 0.400 42.484 42.059 0.041 0.000 1.355 36 L HN 0.521 nan 8.230 nan 0.000 0.545 37 G N 0.028 108.852 108.800 0.040 0.000 2.558 37 G HA2 -0.023 3.935 3.960 -0.003 0.000 0.218 37 G HA3 -0.023 3.935 3.960 -0.003 0.000 0.218 37 G C 0.460 175.427 174.900 0.111 0.000 1.567 37 G CA -0.048 45.094 45.100 0.071 0.000 0.950 37 G HN -0.037 nan 8.290 nan 0.000 0.517 38 V N 1.970 121.939 119.914 0.091 0.000 2.720 38 V HA 0.396 4.514 4.120 -0.003 0.000 0.307 38 V C 1.295 177.519 176.094 0.218 0.000 1.071 38 V CA 0.490 62.879 62.300 0.147 0.000 1.199 38 V CB 0.872 32.785 31.823 0.149 0.000 0.900 38 V HN 0.548 nan 8.190 nan 0.000 0.494 39 G N 6.100 115.116 108.800 0.361 0.000 3.008 39 G HA2 0.523 4.481 3.960 -0.003 0.000 0.272 39 G HA3 0.523 4.481 3.960 -0.003 0.000 0.272 39 G C 0.015 175.024 174.900 0.182 0.000 0.764 39 G CA 0.355 45.619 45.100 0.272 0.000 2.029 39 G HN 1.403 nan 8.290 nan 0.000 0.587 40 A N 2.008 124.880 122.820 0.087 0.000 2.343 40 A HA 0.595 4.913 4.320 -0.003 0.000 0.308 40 A C -0.826 176.821 177.584 0.105 0.000 1.092 40 A CA -0.851 51.207 52.037 0.034 0.000 0.751 40 A CB 1.117 19.946 19.000 -0.285 0.000 1.203 40 A HN 0.553 nan 8.150 nan 0.000 0.452 41 Y N 2.987 123.405 120.300 0.197 0.000 2.610 41 Y HA 0.362 4.910 4.550 -0.003 0.000 0.332 41 Y C 0.370 176.366 175.900 0.160 0.000 1.201 41 Y CA 0.839 59.062 58.100 0.205 0.000 1.465 41 Y CB 0.464 39.147 38.460 0.372 0.000 1.283 41 Y HN 0.618 nan 8.280 nan 0.000 0.563 42 R N 3.277 123.358 120.500 -0.698 0.000 2.750 42 R HA 0.288 4.626 4.340 -0.003 0.000 0.281 42 R C -0.135 175.680 176.300 -0.809 0.000 0.972 42 R CA -0.506 55.297 56.100 -0.495 0.000 0.912 42 R CB 1.475 31.603 30.300 -0.287 0.000 1.187 42 R HN 0.876 nan 8.270 nan 0.000 0.464 43 T N -2.511 111.837 114.554 -0.344 0.000 2.698 43 T HA -0.009 4.339 4.350 -0.003 0.000 0.295 43 T C 0.980 175.534 174.700 -0.243 0.000 1.007 43 T CA -0.228 61.713 62.100 -0.266 0.000 0.980 43 T CB 0.512 69.321 68.868 -0.098 0.000 1.036 43 T HN 0.513 nan 8.240 nan 0.000 0.526 44 D N -0.802 119.495 120.400 -0.171 0.000 2.350 44 D HA -0.044 4.594 4.640 -0.003 0.000 0.216 44 D C 0.888 177.115 176.300 -0.121 0.000 0.968 44 D CA 0.666 54.587 54.000 -0.132 0.000 0.894 44 D CB -0.189 40.556 40.800 -0.092 0.000 0.909 44 D HN 0.511 nan 8.370 nan 0.000 0.520 45 D N -0.718 119.607 120.400 -0.125 0.000 2.388 45 D HA 0.035 4.673 4.640 -0.003 0.000 0.221 45 D C 0.297 176.317 176.300 -0.467 0.000 1.133 45 D CA -0.040 53.856 54.000 -0.174 0.000 0.831 45 D CB 0.111 40.904 40.800 -0.010 0.000 0.962 45 D HN 0.128 nan 8.370 nan 0.000 0.502 46 C N 2.420 121.508 119.300 -0.354 0.000 4.545 46 C HA -0.178 4.279 4.460 -0.003 0.000 0.300 46 C C -0.187 174.560 174.990 -0.405 0.000 1.337 46 C CA 0.035 58.847 59.018 -0.344 0.000 2.032 46 C CB -2.437 25.144 27.740 -0.265 0.000 1.236 46 C HN 0.416 nan 8.230 nan 0.000 0.774 47 H N -0.623 118.439 119.070 -0.013 0.000 2.731 47 H HA 0.491 5.045 4.556 -0.003 0.000 0.368 47 H C -2.241 173.133 175.328 0.077 0.000 1.168 47 H CA -1.862 54.209 56.048 0.039 0.000 1.181 47 H CB 1.017 30.818 29.762 0.065 0.000 1.743 47 H HN 0.102 nan 8.280 nan 0.000 0.547 48 P HA -0.103 nan 4.420 nan 0.000 0.266 48 P C -0.501 177.048 177.300 0.414 0.000 1.195 48 P CA 0.234 63.498 63.100 0.273 0.000 0.768 48 P CB 0.528 32.349 31.700 0.202 0.000 0.838 49 W N 4.987 126.451 121.300 0.273 0.000 2.336 49 W HA 0.362 5.020 4.660 -0.002 0.000 0.315 49 W C -1.404 175.257 176.519 0.238 0.000 1.016 49 W CA -0.716 56.792 57.345 0.272 0.000 1.318 49 W CB 0.689 30.381 29.460 0.386 0.000 1.247 49 W HN -0.000 nan 8.180 nan 0.000 0.414 50 V N 7.879 127.825 119.914 0.052 0.000 2.439 50 V HA 0.011 4.129 4.120 -0.003 0.000 0.271 50 V C 0.541 176.307 176.094 -0.546 0.000 1.040 50 V CA -0.572 61.653 62.300 -0.125 0.000 1.002 50 V CB 0.019 31.829 31.823 -0.021 0.000 1.000 50 V HN 0.222 nan 8.190 nan 0.000 0.477 51 L N 9.330 130.168 121.223 -0.640 0.000 2.525 51 L HA 0.125 4.463 4.340 -0.003 0.000 0.278 51 L C -1.007 175.570 176.870 -0.488 0.000 1.218 51 L CA -0.738 53.550 54.840 -0.921 0.000 0.878 51 L CB 0.019 41.752 42.059 -0.543 0.000 1.127 51 L HN 0.404 nan 8.230 nan 0.000 0.492 52 P HA -0.231 nan 4.420 nan 0.000 0.217 52 P C 1.846 179.092 177.300 -0.089 0.000 1.158 52 P CA 1.035 64.047 63.100 -0.146 0.000 0.887 52 P CB 0.194 31.865 31.700 -0.048 0.000 0.792 53 V N -0.611 119.253 119.914 -0.084 0.000 2.392 53 V HA -0.202 3.916 4.120 -0.003 0.000 0.249 53 V C 2.211 178.303 176.094 -0.004 0.000 1.059 53 V CA 1.790 64.081 62.300 -0.014 0.000 1.051 53 V CB -0.809 31.035 31.823 0.036 0.000 0.658 53 V HN -0.078 nan 8.190 nan 0.000 0.455 54 V N -0.315 119.585 119.914 -0.024 0.000 2.379 54 V HA -0.162 3.956 4.120 -0.003 0.000 0.245 54 V C 2.633 178.716 176.094 -0.018 0.000 1.044 54 V CA 1.787 64.088 62.300 0.003 0.000 1.036 54 V CB -0.702 31.133 31.823 0.020 0.000 0.664 54 V HN 0.446 nan 8.190 nan 0.000 0.453 55 K N 0.382 120.759 120.400 -0.039 0.000 2.063 55 K HA -0.216 4.102 4.320 -0.003 0.000 0.208 55 K C 2.166 178.760 176.600 -0.011 0.000 1.048 55 K CA 1.551 57.824 56.287 -0.022 0.000 0.928 55 K CB -0.333 32.154 32.500 -0.022 0.000 0.713 55 K HN 0.403 nan 8.250 nan 0.000 0.442 56 K N 0.758 121.153 120.400 -0.009 0.000 2.025 56 K HA -0.086 4.232 4.320 -0.003 0.000 0.207 56 K C 2.027 178.626 176.600 -0.002 0.000 1.049 56 K CA 0.996 57.282 56.287 -0.001 0.000 0.933 56 K CB 0.133 32.635 32.500 0.005 0.000 0.714 56 K HN -0.128 nan 8.250 nan 0.000 0.438 57 V N 1.535 121.448 119.914 -0.002 0.000 2.453 57 V HA -0.177 3.941 4.120 -0.003 0.000 0.247 57 V C 1.900 177.983 176.094 -0.018 0.000 1.048 57 V CA 1.662 63.957 62.300 -0.009 0.000 1.049 57 V CB -0.387 31.431 31.823 -0.008 0.000 0.672 57 V HN 0.364 nan 8.190 nan 0.000 0.457 58 E N -0.328 119.862 120.200 -0.017 0.000 2.085 58 E HA -0.268 4.080 4.350 -0.003 0.000 0.194 58 E C 2.406 178.997 176.600 -0.015 0.000 0.994 58 E CA 1.292 57.681 56.400 -0.019 0.000 0.801 58 E CB -0.144 29.548 29.700 -0.013 0.000 0.743 58 E HN 0.513 nan 8.360 nan 0.000 0.453 59 Q N 0.732 120.526 119.800 -0.010 0.000 2.084 59 Q HA -0.137 4.201 4.340 -0.003 0.000 0.202 59 Q C 1.986 177.979 176.000 -0.011 0.000 0.978 59 Q CA 1.249 57.047 55.803 -0.008 0.000 0.844 59 Q CB -0.123 28.613 28.738 -0.003 0.000 0.898 59 Q HN 0.254 nan 8.270 nan 0.000 0.426 60 K N 0.138 120.530 120.400 -0.013 0.000 2.097 60 K HA -0.079 4.239 4.320 -0.003 0.000 0.206 60 K C 2.196 178.781 176.600 -0.024 0.000 1.049 60 K CA 0.923 57.200 56.287 -0.016 0.000 0.933 60 K CB -0.135 32.356 32.500 -0.014 0.000 0.717 60 K HN 0.183 nan 8.250 nan 0.000 0.442 61 I N 0.866 121.419 120.570 -0.029 0.000 2.252 61 I HA -0.235 3.933 4.170 -0.003 0.000 0.245 61 I C 2.402 178.499 176.117 -0.034 0.000 1.102 61 I CA 0.954 62.231 61.300 -0.038 0.000 1.385 61 I CB -0.278 37.696 38.000 -0.044 0.000 1.064 61 I HN 0.119 nan 8.210 nan 0.000 0.414 62 A N 0.468 123.274 122.820 -0.023 0.000 2.067 62 A HA -0.123 4.195 4.320 -0.003 0.000 0.219 62 A C 1.833 179.407 177.584 -0.017 0.000 1.158 62 A CA 1.395 53.422 52.037 -0.016 0.000 0.661 62 A CB -0.412 18.582 19.000 -0.009 0.000 0.801 62 A HN 0.424 nan 8.150 nan 0.000 0.452 63 N N -0.009 118.680 118.700 -0.018 0.000 2.280 63 N HA -0.001 4.737 4.740 -0.003 0.000 0.192 63 N C -0.509 174.987 175.510 -0.022 0.000 1.109 63 N CA 0.195 53.235 53.050 -0.017 0.000 0.855 63 N CB 0.244 38.723 38.487 -0.013 0.000 0.974 63 N HN 0.386 nan 8.380 nan 0.000 0.482 64 D N 0.951 121.333 120.400 -0.030 0.000 2.411 64 D HA 0.148 4.786 4.640 -0.003 0.000 0.225 64 D C 0.473 176.745 176.300 -0.045 0.000 1.156 64 D CA -0.231 53.747 54.000 -0.036 0.000 0.874 64 D CB 0.169 40.944 40.800 -0.041 0.000 1.034 64 D HN -0.119 nan 8.370 nan 0.000 0.502 65 N N 1.418 120.095 118.700 -0.038 0.000 2.461 65 N HA -0.107 4.631 4.740 -0.003 0.000 0.188 65 N C 1.416 176.897 175.510 -0.048 0.000 1.134 65 N CA 0.230 53.255 53.050 -0.041 0.000 0.878 65 N CB 0.267 38.737 38.487 -0.029 0.000 0.972 65 N HN 0.436 nan 8.380 nan 0.000 0.456 66 S N -0.167 115.504 115.700 -0.048 0.000 2.561 66 S HA 0.083 4.551 4.470 -0.003 0.000 0.225 66 S C 0.831 175.388 174.600 -0.072 0.000 0.977 66 S CA -0.151 58.019 58.200 -0.051 0.000 0.926 66 S CB -0.222 62.953 63.200 -0.041 0.000 0.769 66 S HN 0.132 nan 8.310 nan 0.000 0.533 67 L N 3.417 124.583 121.223 -0.094 0.000 2.367 67 L HA 0.363 4.701 4.340 -0.003 0.000 0.275 67 L C 0.324 177.074 176.870 -0.201 0.000 1.129 67 L CA -0.601 54.155 54.840 -0.140 0.000 0.839 67 L CB 0.164 42.131 42.059 -0.153 0.000 1.133 67 L HN 0.421 nan 8.230 nan 0.000 0.453 68 N N 0.337 118.912 118.700 -0.209 0.000 2.741 68 N HA 0.278 5.016 4.740 -0.003 0.000 0.310 68 N C 0.017 175.316 175.510 -0.351 0.000 1.295 68 N CA -0.708 52.202 53.050 -0.233 0.000 0.893 68 N CB 0.624 39.048 38.487 -0.105 0.000 1.247 68 N HN 0.360 nan 8.380 nan 0.000 0.596 69 H N -1.355 117.676 119.070 -0.064 0.000 2.581 69 H HA 0.289 4.844 4.556 -0.003 0.000 0.275 69 H C -0.432 174.824 175.328 -0.120 0.000 1.126 69 H CA -0.259 55.739 56.048 -0.083 0.000 1.097 69 H CB 0.282 29.991 29.762 -0.088 0.000 1.626 69 H HN 0.513 nan 8.280 nan 0.000 0.565 70 E N 0.840 121.026 120.200 -0.022 0.000 2.418 70 E HA -0.047 4.301 4.350 -0.003 0.000 0.261 70 E C -0.144 176.451 176.600 -0.009 0.000 1.070 70 E CA -0.056 56.304 56.400 -0.066 0.000 0.931 70 E CB 0.563 30.250 29.700 -0.022 0.000 0.954 70 E HN 0.160 nan 8.360 nan 0.000 0.439 71 Y N 0.883 121.202 120.300 0.033 0.000 2.811 71 Y HA -0.117 4.431 4.550 -0.004 0.000 0.334 71 Y C 1.164 177.079 175.900 0.025 0.000 1.247 71 Y CA 0.417 58.536 58.100 0.032 0.000 1.526 71 Y CB -0.085 38.395 38.460 0.033 0.000 1.284 71 Y HN 0.244 nan 8.280 nan 0.000 0.586 72 L N 5.881 127.226 121.223 0.202 0.000 2.472 72 L HA 0.196 4.534 4.340 -0.003 0.000 0.260 72 L C -1.808 175.129 176.870 0.113 0.000 1.209 72 L CA -1.959 52.952 54.840 0.118 0.000 0.817 72 L CB -0.013 42.095 42.059 0.081 0.000 1.106 72 L HN 0.435 nan 8.230 nan 0.000 0.479 73 P HA 0.029 nan 4.420 nan 0.000 0.268 73 P C 0.906 178.243 177.300 0.061 0.000 1.208 73 P CA 0.034 63.167 63.100 0.055 0.000 0.777 73 P CB 0.563 32.289 31.700 0.043 0.000 0.875 74 I N 0.830 121.421 120.570 0.035 0.000 2.145 74 I HA -0.281 3.887 4.170 -0.003 0.000 0.244 74 I C 1.878 178.048 176.117 0.088 0.000 1.075 74 I CA 1.753 63.078 61.300 0.040 0.000 1.332 74 I CB -0.431 37.567 38.000 -0.003 0.000 1.033 74 I HN 0.367 nan 8.210 nan 0.000 0.410 75 L N -0.118 121.147 121.223 0.070 0.000 2.492 75 L HA 0.182 4.520 4.340 -0.003 0.000 0.223 75 L C 1.090 178.031 176.870 0.118 0.000 1.132 75 L CA 0.361 55.253 54.840 0.087 0.000 0.850 75 L CB -0.728 41.358 42.059 0.045 0.000 0.966 75 L HN 0.539 nan 8.230 nan 0.000 0.454 76 G N 0.299 109.162 108.800 0.106 0.000 2.483 76 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.521 76 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.521 76 G C -1.128 173.826 174.900 0.089 0.000 1.278 76 G CA -0.703 44.459 45.100 0.103 0.000 0.965 76 G HN -0.074 nan 8.290 nan 0.000 0.504 77 L N 1.446 122.721 121.223 0.087 0.000 2.500 77 L HA 0.615 4.952 4.340 -0.003 0.000 0.272 77 L C 1.972 178.905 176.870 0.105 0.000 1.149 77 L CA 1.458 56.344 54.840 0.075 0.000 0.897 77 L CB 0.563 42.647 42.059 0.041 0.000 1.178 77 L HN 1.733 nan 8.230 nan 0.000 0.473 78 A N 4.042 126.893 122.820 0.052 0.000 1.883 78 A HA -0.199 4.119 4.320 -0.003 0.000 0.217 78 A C 2.061 179.648 177.584 0.006 0.000 1.186 78 A CA 1.813 53.865 52.037 0.025 0.000 0.624 78 A CB -0.546 18.458 19.000 0.006 0.000 0.822 78 A HN 0.914 nan 8.150 nan 0.000 0.444 79 E N -1.511 118.694 120.200 0.008 0.000 2.106 79 E HA -0.169 4.179 4.350 -0.003 0.000 0.192 79 E C 1.744 178.322 176.600 -0.037 0.000 0.984 79 E CA 1.125 57.512 56.400 -0.021 0.000 0.806 79 E CB -0.221 29.466 29.700 -0.022 0.000 0.750 79 E HN 0.632 nan 8.360 nan 0.000 0.458 80 F N 1.571 121.449 119.950 -0.120 0.000 2.102 80 F HA -0.138 4.386 4.527 -0.004 0.000 0.298 80 F C 2.181 177.907 175.800 -0.124 0.000 1.105 80 F CA 1.620 59.518 58.000 -0.170 0.000 1.239 80 F CB -0.123 38.764 39.000 -0.189 0.000 0.991 80 F HN -0.139 nan 8.300 nan 0.000 0.474 81 R N 0.165 120.539 120.500 -0.210 0.000 2.073 81 R HA -0.135 4.203 4.340 -0.003 0.000 0.234 81 R C 2.425 178.564 176.300 -0.267 0.000 1.134 81 R CA 1.781 57.718 56.100 -0.271 0.000 0.952 81 R CB -0.807 29.474 30.300 -0.031 0.000 0.850 81 R HN 0.261 nan 8.270 nan 0.000 0.433 82 S N 0.229 115.824 115.700 -0.174 0.000 2.356 82 S HA -0.182 4.285 4.470 -0.003 0.000 0.223 82 S C 2.184 176.683 174.600 -0.169 0.000 1.032 82 S CA 1.299 59.415 58.200 -0.139 0.000 1.005 82 S CB -0.392 62.751 63.200 -0.096 0.000 0.867 82 S HN 0.427 nan 8.310 nan 0.000 0.449 83 C N 1.747 120.918 119.300 -0.215 0.000 2.413 83 C HA -0.058 4.400 4.460 -0.003 0.000 0.276 83 C C 3.073 177.933 174.990 -0.216 0.000 1.248 83 C CA 0.640 59.533 59.018 -0.209 0.000 1.742 83 C CB -1.566 26.038 27.740 -0.227 0.000 2.017 83 C HN 0.684 nan 8.230 nan 0.000 0.481 84 A N -0.012 122.578 122.820 -0.382 0.000 1.873 84 A HA -0.120 4.197 4.320 -0.003 0.000 0.215 84 A C 2.274 179.837 177.584 -0.035 0.000 1.186 84 A CA 2.139 54.055 52.037 -0.202 0.000 0.616 84 A CB -0.798 17.937 19.000 -0.441 0.000 0.823 84 A HN 0.535 nan 8.150 nan 0.000 0.442 85 S N -0.852 114.788 115.700 -0.100 0.000 2.382 85 S HA -0.140 4.328 4.470 -0.003 0.000 0.228 85 S C 2.068 176.655 174.600 -0.022 0.000 1.027 85 S CA 1.251 59.423 58.200 -0.046 0.000 0.991 85 S CB -0.315 62.843 63.200 -0.070 0.000 0.823 85 S HN 0.599 nan 8.310 nan 0.000 0.469 86 R N 0.571 121.049 120.500 -0.038 0.000 2.081 86 R HA -0.088 4.250 4.340 -0.003 0.000 0.235 86 R C 2.293 178.612 176.300 0.031 0.000 1.131 86 R CA 1.216 57.303 56.100 -0.021 0.000 0.960 86 R CB -0.472 29.796 30.300 -0.053 0.000 0.856 86 R HN 0.318 nan 8.270 nan 0.000 0.436 87 L N 0.633 121.905 121.223 0.082 0.000 2.043 87 L HA -0.162 4.176 4.340 -0.003 0.000 0.212 87 L C 2.198 179.160 176.870 0.152 0.000 1.075 87 L CA 2.239 57.194 54.840 0.192 0.000 0.752 87 L CB -0.652 41.594 42.059 0.312 0.000 0.891 87 L HN 0.241 nan 8.230 nan 0.000 0.432 88 A N -0.885 121.996 122.820 0.100 0.000 1.855 88 A HA -0.097 4.221 4.320 -0.003 0.000 0.215 88 A C 2.169 179.768 177.584 0.025 0.000 1.191 88 A CA 1.937 54.007 52.037 0.054 0.000 0.613 88 A CB -0.700 18.323 19.000 0.039 0.000 0.829 88 A HN 0.479 nan 8.150 nan 0.000 0.442 89 L N -1.599 119.637 121.223 0.022 0.000 2.416 89 L HA 0.332 4.670 4.340 -0.003 0.000 0.216 89 L C 1.106 177.978 176.870 0.003 0.000 1.098 89 L CA 0.385 55.229 54.840 0.006 0.000 0.840 89 L CB -0.555 41.504 42.059 -0.001 0.000 0.981 89 L HN 0.623 nan 8.230 nan 0.000 0.462 90 G N 0.412 109.223 108.800 0.018 0.000 2.712 90 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.686 90 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.686 90 G C -0.297 174.601 174.900 -0.004 0.000 1.181 90 G CA -0.410 44.701 45.100 0.018 0.000 0.762 90 G HN 0.053 nan 8.290 nan 0.000 0.641 91 D N 0.413 120.804 120.400 -0.015 0.000 2.182 91 D HA -0.068 4.570 4.640 -0.003 0.000 0.201 91 D C 1.853 178.136 176.300 -0.029 0.000 0.986 91 D CA 1.850 55.828 54.000 -0.038 0.000 0.847 91 D CB 0.034 40.799 40.800 -0.058 0.000 0.942 91 D HN 0.720 nan 8.370 nan 0.000 0.467 92 D N -0.487 119.904 120.400 -0.016 0.000 2.427 92 D HA 0.005 4.643 4.640 -0.003 0.000 0.224 92 D C 0.105 176.398 176.300 -0.013 0.000 1.157 92 D CA -0.245 53.748 54.000 -0.013 0.000 0.828 92 D CB -0.392 40.405 40.800 -0.005 0.000 0.974 92 D HN -0.213 nan 8.370 nan 0.000 0.498 93 S N 1.201 116.891 115.700 -0.016 0.000 2.537 93 S HA 0.094 4.562 4.470 -0.003 0.000 0.286 93 S C -1.410 173.178 174.600 -0.021 0.000 1.299 93 S CA -0.885 57.304 58.200 -0.018 0.000 1.067 93 S CB 1.154 64.342 63.200 -0.019 0.000 0.864 93 S HN -0.087 nan 8.310 nan 0.000 0.494 94 P HA -0.009 nan 4.420 nan 0.000 0.220 94 P C 1.201 178.486 177.300 -0.025 0.000 1.148 94 P CA 1.238 64.325 63.100 -0.021 0.000 0.803 94 P CB -0.023 31.665 31.700 -0.020 0.000 0.782 95 A N -0.566 122.237 122.820 -0.028 0.000 1.930 95 A HA -0.142 4.176 4.320 -0.003 0.000 0.217 95 A C 2.176 179.735 177.584 -0.042 0.000 1.175 95 A CA 1.275 53.289 52.037 -0.038 0.000 0.627 95 A CB -1.569 17.401 19.000 -0.051 0.000 0.815 95 A HN 0.115 nan 8.150 nan 0.000 0.443 96 L N -0.670 120.529 121.223 -0.039 0.000 2.017 96 L HA -0.214 4.124 4.340 -0.003 0.000 0.208 96 L C 2.585 179.434 176.870 -0.035 0.000 1.073 96 L CA 1.824 56.640 54.840 -0.040 0.000 0.745 96 L CB -0.458 41.577 42.059 -0.039 0.000 0.894 96 L HN 0.333 nan 8.230 nan 0.000 0.432 97 K N 0.187 120.569 120.400 -0.029 0.000 2.103 97 K HA -0.187 4.131 4.320 -0.003 0.000 0.207 97 K C 1.609 178.194 176.600 -0.025 0.000 1.048 97 K CA 1.462 57.734 56.287 -0.025 0.000 0.930 97 K CB -0.104 32.383 32.500 -0.021 0.000 0.716 97 K HN 0.385 nan 8.250 nan 0.000 0.444 98 E N 0.383 120.567 120.200 -0.026 0.000 2.476 98 E HA -0.031 4.317 4.350 -0.003 0.000 0.191 98 E C -0.527 176.056 176.600 -0.027 0.000 1.064 98 E CA -0.082 56.303 56.400 -0.024 0.000 0.866 98 E CB 0.354 30.040 29.700 -0.023 0.000 0.952 98 E HN -0.023 nan 8.360 nan 0.000 0.492 99 K N 0.302 120.683 120.400 -0.031 0.000 3.035 99 K HA -0.225 4.093 4.320 -0.003 0.000 0.262 99 K C 0.291 176.869 176.600 -0.037 0.000 1.024 99 K CA 1.409 57.676 56.287 -0.034 0.000 0.748 99 K CB -2.700 29.782 32.500 -0.028 0.000 1.247 99 K HN 0.598 nan 8.250 nan 0.000 0.482 100 R N -1.219 119.255 120.500 -0.043 0.000 2.791 100 R HA 0.434 4.772 4.340 -0.003 0.000 0.357 100 R C -0.294 175.964 176.300 -0.069 0.000 1.173 100 R CA -0.542 55.529 56.100 -0.048 0.000 1.060 100 R CB 0.530 30.805 30.300 -0.041 0.000 1.406 100 R HN 0.125 nan 8.270 nan 0.000 0.580 101 V N 0.211 120.083 119.914 -0.069 0.000 2.638 101 V HA 0.711 4.828 4.120 -0.003 0.000 0.306 101 V C 0.071 176.122 176.094 -0.073 0.000 1.052 101 V CA -0.763 61.485 62.300 -0.086 0.000 0.885 101 V CB 1.924 33.697 31.823 -0.085 0.000 0.999 101 V HN 0.464 nan 8.190 nan 0.000 0.424 102 G N 1.762 110.516 108.800 -0.077 0.000 2.537 102 G HA2 0.787 4.745 3.960 -0.003 0.000 0.308 102 G HA3 0.787 4.745 3.960 -0.003 0.000 0.308 102 G C -0.585 174.273 174.900 -0.069 0.000 1.237 102 G CA -0.571 44.488 45.100 -0.068 0.000 0.968 102 G HN 1.116 nan 8.290 nan 0.000 0.481 103 G N -1.013 107.754 108.800 -0.056 0.000 2.732 103 G HA2 0.540 4.498 3.960 -0.003 0.000 0.295 103 G HA3 0.540 4.498 3.960 -0.003 0.000 0.295 103 G C -1.406 173.492 174.900 -0.004 0.000 1.456 103 G CA -0.349 44.727 45.100 -0.041 0.000 1.050 103 G HN 0.821 nan 8.290 nan 0.000 0.525 104 V N 2.540 122.464 119.914 0.017 0.000 2.357 104 V HA 0.350 4.468 4.120 -0.003 0.000 0.284 104 V C 0.440 176.640 176.094 0.176 0.000 1.018 104 V CA -0.778 61.566 62.300 0.074 0.000 0.841 104 V CB 1.284 33.125 31.823 0.030 0.000 0.991 104 V HN 0.856 nan 8.190 nan 0.000 0.437 105 Q N 3.447 123.389 119.800 0.235 0.000 2.311 105 Q HA 0.371 4.709 4.340 -0.003 0.000 0.272 105 Q C 0.101 176.253 176.000 0.252 0.000 1.012 105 Q CA 0.093 56.078 55.803 0.304 0.000 0.891 105 Q CB 0.856 29.736 28.738 0.237 0.000 1.201 105 Q HN 0.976 nan 8.270 nan 0.000 0.391 106 S N 3.321 119.129 115.700 0.181 0.000 2.661 106 S HA 0.430 4.898 4.470 -0.003 0.000 0.285 106 S C -0.555 173.920 174.600 -0.208 0.000 1.138 106 S CA -1.050 57.219 58.200 0.115 0.000 0.855 106 S CB 0.923 64.278 63.200 0.259 0.000 1.136 106 S HN 0.604 nan 8.310 nan 0.000 0.484 107 L N 2.810 123.708 121.223 -0.542 0.000 2.395 107 L HA 0.405 4.743 4.340 -0.003 0.000 0.268 107 L C 1.428 178.207 176.870 -0.152 0.000 1.223 107 L CA 1.656 56.204 54.840 -0.486 0.000 1.093 107 L CB -1.142 40.465 42.059 -0.753 0.000 1.349 107 L HN 1.292 nan 8.230 nan 0.000 0.427 108 G N 2.308 111.064 108.800 -0.074 0.000 2.752 108 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.234 108 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.234 108 G C 0.934 175.862 174.900 0.046 0.000 1.367 108 G CA -0.231 44.873 45.100 0.007 0.000 0.879 108 G HN 0.664 nan 8.290 nan 0.000 0.563 109 G N -1.562 107.250 108.800 0.019 0.000 2.442 109 G HA2 -0.012 3.945 3.960 -0.003 0.000 0.219 109 G HA3 -0.012 3.945 3.960 -0.003 0.000 0.219 109 G C 1.866 176.836 174.900 0.118 0.000 1.141 109 G CA 2.421 47.534 45.100 0.021 0.000 0.763 109 G HN 1.241 nan 8.290 nan 0.000 0.554 110 T N 0.839 115.495 114.554 0.170 0.000 2.777 110 T HA -0.020 4.328 4.350 -0.003 0.000 0.266 110 T C 2.514 177.355 174.700 0.235 0.000 1.040 110 T CA 1.380 63.647 62.100 0.278 0.000 1.141 110 T CB -0.520 68.539 68.868 0.319 0.000 0.868 110 T HN 0.352 nan 8.240 nan 0.000 0.444 111 G N 1.049 109.973 108.800 0.207 0.000 2.422 111 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.218 111 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.218 111 G C 1.817 176.936 174.900 0.365 0.000 1.146 111 G CA 0.867 46.158 45.100 0.319 0.000 0.769 111 G HN 0.573 nan 8.290 nan 0.000 0.547 112 A N 0.583 123.559 122.820 0.259 0.000 1.902 112 A HA 0.103 4.421 4.320 -0.003 0.000 0.217 112 A C 2.422 180.169 177.584 0.272 0.000 1.181 112 A CA 1.244 53.426 52.037 0.243 0.000 0.623 112 A CB -0.382 18.739 19.000 0.201 0.000 0.818 112 A HN 0.353 nan 8.150 nan 0.000 0.443 113 L N -1.210 120.164 121.223 0.251 0.000 2.093 113 L HA -0.148 4.190 4.340 -0.003 0.000 0.208 113 L C 2.734 179.645 176.870 0.069 0.000 1.085 113 L CA 1.603 56.548 54.840 0.174 0.000 0.755 113 L CB -0.380 41.723 42.059 0.073 0.000 0.904 113 L HN 0.377 nan 8.230 nan 0.000 0.435 114 R N 0.699 121.260 120.500 0.102 0.000 2.066 114 R HA -0.112 4.226 4.340 -0.003 0.000 0.232 114 R C 2.103 178.461 176.300 0.097 0.000 1.131 114 R CA 1.568 57.702 56.100 0.056 0.000 0.955 114 R CB -0.457 29.919 30.300 0.127 0.000 0.851 114 R HN 0.097 nan 8.270 nan 0.000 0.432 115 I N 0.484 121.137 120.570 0.139 0.000 2.208 115 I HA -0.113 4.055 4.170 -0.003 0.000 0.245 115 I C 2.221 178.424 176.117 0.143 0.000 1.097 115 I CA 1.861 63.211 61.300 0.084 0.000 1.363 115 I CB -1.729 36.305 38.000 0.056 0.000 1.051 115 I HN 0.439 nan 8.210 nan 0.000 0.413 116 G N 0.485 109.388 108.800 0.171 0.000 2.418 116 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.217 116 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.217 116 G C 1.870 177.129 174.900 0.598 0.000 1.158 116 G CA 0.998 46.232 45.100 0.223 0.000 0.771 116 G HN 0.495 nan 8.290 nan 0.000 0.545 117 A N 1.109 124.192 122.820 0.438 0.000 1.877 117 A HA -0.055 4.263 4.320 -0.003 0.000 0.216 117 A C 2.110 179.940 177.584 0.411 0.000 1.186 117 A CA 2.041 54.292 52.037 0.357 0.000 0.620 117 A CB -0.482 18.373 19.000 -0.242 0.000 0.822 117 A HN 0.260 nan 8.150 nan 0.000 0.443 118 D N -1.175 119.369 120.400 0.240 0.000 2.144 118 D HA -0.136 4.502 4.640 -0.003 0.000 0.199 118 D C 1.604 178.034 176.300 0.216 0.000 0.984 118 D CA 1.223 55.314 54.000 0.153 0.000 0.834 118 D CB -0.375 40.474 40.800 0.082 0.000 0.955 118 D HN 0.504 nan 8.370 nan 0.000 0.465 119 F N 1.278 121.364 119.950 0.227 0.000 2.102 119 F HA -0.141 4.384 4.527 -0.003 0.000 0.298 119 F C 2.149 178.169 175.800 0.366 0.000 1.105 119 F CA 1.177 59.375 58.000 0.330 0.000 1.239 119 F CB -0.263 38.944 39.000 0.345 0.000 0.991 119 F HN -0.133 nan 8.300 nan 0.000 0.474 120 L N 0.197 121.705 121.223 0.475 0.000 2.083 120 L HA -0.176 4.162 4.340 -0.003 0.000 0.209 120 L C 2.759 179.828 176.870 0.331 0.000 1.083 120 L CA 1.116 56.193 54.840 0.395 0.000 0.752 120 L CB -1.203 41.146 42.059 0.484 0.000 0.899 120 L HN 0.260 nan 8.230 nan 0.000 0.433 121 A N -0.209 122.740 122.820 0.214 0.000 2.125 121 A HA -0.197 4.121 4.320 -0.003 0.000 0.219 121 A C 2.335 179.750 177.584 -0.282 0.000 1.156 121 A CA 1.730 53.601 52.037 -0.276 0.000 0.671 121 A CB -0.349 18.337 19.000 -0.525 0.000 0.794 121 A HN 0.347 nan 8.150 nan 0.000 0.459 122 R N -2.402 117.908 120.500 -0.317 0.000 2.164 122 R HA 0.132 4.470 4.340 -0.003 0.000 0.198 122 R C 0.922 176.767 176.300 -0.759 0.000 1.028 122 R CA 0.953 56.678 56.100 -0.625 0.000 1.083 122 R CB -0.305 29.531 30.300 -0.774 0.000 1.026 122 R HN 0.556 nan 8.270 nan 0.000 0.514 123 W N -1.295 119.779 121.300 -0.377 0.000 2.870 123 W HA 0.322 4.980 4.660 -0.003 0.000 0.358 123 W C -0.513 175.856 176.519 -0.250 0.000 1.043 123 W CA -0.698 56.411 57.345 -0.393 0.000 1.692 123 W CB 0.435 29.491 29.460 -0.674 0.000 1.100 123 W HN -0.113 nan 8.180 nan 0.000 0.557 124 Y N 2.158 122.384 120.300 -0.124 0.000 2.360 124 Y HA 0.358 4.906 4.550 -0.004 0.000 0.337 124 Y C 0.838 176.710 175.900 -0.048 0.000 1.039 124 Y CA -1.383 56.683 58.100 -0.058 0.000 1.109 124 Y CB 0.790 39.214 38.460 -0.060 0.000 1.201 124 Y HN 0.025 nan 8.280 nan 0.000 0.458 125 N N 3.064 121.210 118.700 -0.922 0.000 2.754 125 N HA -0.126 4.612 4.740 -0.003 0.000 0.248 125 N C -0.334 174.952 175.510 -0.373 0.000 1.093 125 N CA 1.599 54.163 53.050 -0.811 0.000 0.699 125 N CB -1.194 36.823 38.487 -0.783 0.000 1.016 125 N HN 1.599 nan 8.380 nan 0.000 0.552 126 G N -2.462 106.177 108.800 -0.268 0.000 2.396 126 G HA2 -0.003 3.955 3.960 -0.003 0.000 0.254 126 G HA3 -0.003 3.955 3.960 -0.003 0.000 0.254 126 G C -0.733 174.094 174.900 -0.122 0.000 1.248 126 G CA -0.193 44.811 45.100 -0.160 0.000 1.033 126 G HN 0.505 nan 8.290 nan 0.000 0.502 127 T N 1.080 115.559 114.554 -0.124 0.000 2.758 127 T HA 0.561 4.909 4.350 -0.003 0.000 0.285 127 T C 0.651 175.221 174.700 -0.216 0.000 0.981 127 T CA 0.654 62.647 62.100 -0.179 0.000 0.965 127 T CB 0.375 69.160 68.868 -0.138 0.000 0.927 127 T HN 1.070 nan 8.240 nan 0.000 0.448 128 N N 2.359 120.877 118.700 -0.303 0.000 2.725 128 N HA -0.189 4.549 4.740 -0.003 0.000 0.251 128 N C -0.568 174.827 175.510 -0.192 0.000 1.031 128 N CA 0.060 52.947 53.050 -0.273 0.000 0.720 128 N CB -0.608 37.729 38.487 -0.249 0.000 0.930 128 N HN 0.373 nan 8.380 nan 0.000 0.543 129 N N 1.171 119.778 118.700 -0.155 0.000 2.469 129 N HA 0.094 4.832 4.740 -0.003 0.000 0.239 129 N C 0.389 175.845 175.510 -0.090 0.000 1.053 129 N CA -0.208 52.791 53.050 -0.085 0.000 0.937 129 N CB 0.643 39.105 38.487 -0.041 0.000 1.163 129 N HN 0.102 nan 8.380 nan 0.000 0.509 130 K N 2.107 122.433 120.400 -0.123 0.000 2.404 130 K HA 0.167 4.485 4.320 -0.003 0.000 0.194 130 K C 0.200 176.838 176.600 0.063 0.000 1.023 130 K CA 0.055 56.237 56.287 -0.174 0.000 1.094 130 K CB 0.430 32.820 32.500 -0.184 0.000 0.841 130 K HN 0.480 nan 8.250 nan 0.000 0.523 131 N N 0.816 119.580 118.700 0.107 0.000 2.325 131 N HA -0.022 4.716 4.740 -0.003 0.000 0.182 131 N C -0.102 175.538 175.510 0.217 0.000 1.088 131 N CA 0.250 53.386 53.050 0.144 0.000 0.879 131 N CB 0.294 38.832 38.487 0.086 0.000 0.983 131 N HN -0.026 nan 8.380 nan 0.000 0.471 132 T N 4.132 118.866 114.554 0.301 0.000 2.778 132 T HA 0.065 4.412 4.350 -0.003 0.000 0.282 132 T C -2.397 172.477 174.700 0.290 0.000 0.983 132 T CA -0.570 61.729 62.100 0.331 0.000 1.193 132 T CB 0.665 69.802 68.868 0.449 0.000 0.938 132 T HN 0.062 nan 8.240 nan 0.000 0.523 133 P HA 0.165 nan 4.420 nan 0.000 0.265 133 P C -0.800 176.533 177.300 0.056 0.000 1.193 133 P CA -0.247 62.923 63.100 0.117 0.000 0.765 133 P CB 0.463 32.263 31.700 0.166 0.000 0.823 134 V N 5.042 124.880 119.914 -0.127 0.000 2.384 134 V HA 0.272 4.390 4.120 -0.003 0.000 0.287 134 V C -0.552 175.398 176.094 -0.240 0.000 1.020 134 V CA -0.442 61.709 62.300 -0.250 0.000 0.850 134 V CB 0.542 32.031 31.823 -0.557 0.000 0.987 134 V HN 0.395 nan 8.190 nan 0.000 0.436 135 Y N 4.003 124.241 120.300 -0.103 0.000 2.328 135 Y HA 0.615 5.162 4.550 -0.004 0.000 0.337 135 Y C 0.317 176.186 175.900 -0.053 0.000 1.008 135 Y CA -0.515 57.596 58.100 0.019 0.000 1.129 135 Y CB 1.978 40.578 38.460 0.233 0.000 1.185 135 Y HN 0.570 nan 8.280 nan 0.000 0.476 136 V N 0.221 120.075 119.914 -0.101 0.000 3.019 136 V HA 0.752 4.870 4.120 -0.003 0.000 0.317 136 V C -0.044 175.613 176.094 -0.728 0.000 1.094 136 V CA -1.169 60.977 62.300 -0.258 0.000 1.000 136 V CB 1.571 33.286 31.823 -0.179 0.000 1.060 136 V HN 0.734 nan 8.190 nan 0.000 0.443 137 S N 1.462 116.692 115.700 -0.783 0.000 2.585 137 S HA 0.388 4.856 4.470 -0.003 0.000 0.273 137 S C 0.239 174.558 174.600 -0.467 0.000 1.339 137 S CA 0.071 57.639 58.200 -1.054 0.000 1.028 137 S CB 1.083 63.892 63.200 -0.652 0.000 0.906 137 S HN 1.443 nan 8.310 nan 0.000 0.528 138 S N 3.671 119.177 115.700 -0.324 0.000 2.423 138 S HA 0.504 4.972 4.470 -0.003 0.000 0.317 138 S C -2.159 172.468 174.600 0.044 0.000 1.065 138 S CA -1.668 56.479 58.200 -0.088 0.000 1.111 138 S CB 0.183 63.370 63.200 -0.022 0.000 0.968 138 S HN 0.720 nan 8.310 nan 0.000 0.474 139 P HA 0.475 nan 4.420 nan 0.000 0.282 139 P C -0.271 176.964 177.300 -0.108 0.000 1.287 139 P CA -0.349 62.709 63.100 -0.070 0.000 0.792 139 P CB 1.302 32.947 31.700 -0.093 0.000 1.163 140 T N -2.190 112.304 114.554 -0.099 0.000 2.671 140 T HA 0.339 4.687 4.350 -0.003 0.000 0.300 140 T C -1.777 172.905 174.700 -0.029 0.000 1.238 140 T CA -0.487 61.582 62.100 -0.052 0.000 1.020 140 T CB 0.066 69.035 68.868 0.169 0.000 1.503 140 T HN 0.351 nan 8.240 nan 0.000 0.497 141 W N 2.984 124.133 121.300 -0.252 0.000 2.223 141 W HA 0.214 4.872 4.660 -0.004 0.000 0.334 141 W C 1.689 178.049 176.519 -0.265 0.000 1.334 141 W CA -0.330 56.805 57.345 -0.350 0.000 1.246 141 W CB 0.199 29.308 29.460 -0.584 0.000 1.184 141 W HN 0.922 nan 8.180 nan 0.000 0.563 142 E N 1.920 121.833 120.200 -0.478 0.000 2.171 142 E HA -0.370 3.978 4.350 -0.003 0.000 0.197 142 E C 1.320 177.557 176.600 -0.606 0.000 0.997 142 E CA 1.842 57.961 56.400 -0.469 0.000 0.810 142 E CB -0.336 29.120 29.700 -0.407 0.000 0.738 142 E HN 0.457 nan 8.360 nan 0.000 0.467 143 N N -0.131 117.834 118.700 -1.225 0.000 2.398 143 N HA -0.006 4.732 4.740 -0.003 0.000 0.188 143 N C 1.083 176.334 175.510 -0.431 0.000 1.122 143 N CA 0.322 52.763 53.050 -1.015 0.000 0.866 143 N CB -0.024 37.426 38.487 -1.729 0.000 0.970 143 N HN 0.392 nan 8.380 nan 0.000 0.462 144 H N -0.585 118.351 119.070 -0.224 0.000 2.293 144 H HA -0.029 4.525 4.556 -0.004 0.000 0.300 144 H C 1.202 176.618 175.328 0.146 0.000 1.082 144 H CA 1.492 57.606 56.048 0.109 0.000 1.308 144 H CB 0.210 30.043 29.762 0.119 0.000 1.375 144 H HN 0.287 nan 8.280 nan 0.000 0.495 145 N N 0.646 119.437 118.700 0.151 0.000 2.069 145 N HA -0.147 4.591 4.740 -0.003 0.000 0.191 145 N C 1.939 177.517 175.510 0.113 0.000 1.031 145 N CA 1.195 54.304 53.050 0.098 0.000 0.852 145 N CB -0.347 38.150 38.487 0.015 0.000 1.018 145 N HN 0.319 nan 8.380 nan 0.000 0.423 146 A N 0.461 123.297 122.820 0.027 0.000 1.902 146 A HA -0.078 4.239 4.320 -0.003 0.000 0.217 146 A C 2.369 179.984 177.584 0.051 0.000 1.181 146 A CA 1.290 53.333 52.037 0.009 0.000 0.623 146 A CB -0.861 18.097 19.000 -0.070 0.000 0.818 146 A HN 0.122 nan 8.150 nan 0.000 0.443 147 V N -1.325 118.624 119.914 0.060 0.000 2.295 147 V HA -0.229 3.889 4.120 -0.003 0.000 0.246 147 V C 2.304 178.410 176.094 0.020 0.000 1.049 147 V CA 2.057 64.369 62.300 0.021 0.000 1.024 147 V CB -0.944 30.867 31.823 -0.020 0.000 0.648 147 V HN 0.571 nan 8.190 nan 0.000 0.447 148 F N 0.624 120.637 119.950 0.105 0.000 2.234 148 F HA -0.115 4.410 4.527 -0.003 0.000 0.299 148 F C 2.647 178.595 175.800 0.247 0.000 1.087 148 F CA 1.533 59.648 58.000 0.190 0.000 1.340 148 F CB -0.632 38.407 39.000 0.065 0.000 1.031 148 F HN 0.043 nan 8.300 nan 0.000 0.500 149 S N 0.133 116.012 115.700 0.298 0.000 2.368 149 S HA -0.200 4.268 4.470 -0.003 0.000 0.225 149 S C 2.373 177.049 174.600 0.126 0.000 1.030 149 S CA 1.026 59.340 58.200 0.190 0.000 0.999 149 S CB -0.732 62.537 63.200 0.115 0.000 0.844 149 S HN 0.376 nan 8.310 nan 0.000 0.459 150 A N 1.450 124.329 122.820 0.097 0.000 1.972 150 A HA 0.134 4.452 4.320 -0.003 0.000 0.219 150 A C 2.255 179.865 177.584 0.042 0.000 1.169 150 A CA 1.562 53.632 52.037 0.054 0.000 0.635 150 A CB -0.849 18.175 19.000 0.040 0.000 0.810 150 A HN 0.527 nan 8.150 nan 0.000 0.446 151 A N -2.111 120.754 122.820 0.076 0.000 2.168 151 A HA 0.378 4.696 4.320 -0.003 0.000 0.215 151 A C 1.824 179.365 177.584 -0.073 0.000 1.152 151 A CA 1.472 53.534 52.037 0.041 0.000 0.716 151 A CB -0.665 18.424 19.000 0.149 0.000 0.794 151 A HN 1.836 nan 8.150 nan 0.000 0.465 152 G N -2.571 106.214 108.800 -0.025 0.000 2.192 152 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.193 152 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.193 152 G C -0.049 174.786 174.900 -0.109 0.000 0.999 152 G CA -0.248 44.794 45.100 -0.096 0.000 0.659 152 G HN 0.255 nan 8.290 nan 0.000 0.503 153 F N 1.673 121.683 119.950 0.099 0.000 2.543 153 F HA 0.376 4.901 4.527 -0.004 0.000 0.375 153 F C 1.761 177.605 175.800 0.072 0.000 1.075 153 F CA 0.519 58.585 58.000 0.110 0.000 1.225 153 F CB 0.933 40.044 39.000 0.185 0.000 1.099 153 F HN -0.037 nan 8.300 nan 0.000 0.561 154 K N 0.757 121.280 120.400 0.205 0.000 2.356 154 K HA -0.008 4.310 4.320 -0.003 0.000 0.195 154 K C -0.013 176.647 176.600 0.101 0.000 1.037 154 K CA 0.483 56.839 56.287 0.115 0.000 1.014 154 K CB 0.267 32.807 32.500 0.068 0.000 0.815 154 K HN 0.420 nan 8.250 nan 0.000 0.507 155 D N 1.188 121.661 120.400 0.121 0.000 2.441 155 D HA 0.224 4.862 4.640 -0.003 0.000 0.287 155 D C -1.082 175.211 176.300 -0.013 0.000 1.198 155 D CA -0.363 53.665 54.000 0.048 0.000 0.894 155 D CB 0.049 40.885 40.800 0.059 0.000 1.070 155 D HN -0.033 nan 8.370 nan 0.000 0.499 156 I N 2.565 123.116 120.570 -0.032 0.000 2.342 156 I HA 0.382 4.550 4.170 -0.003 0.000 0.291 156 I C 0.847 176.856 176.117 -0.180 0.000 1.010 156 I CA -0.370 60.864 61.300 -0.110 0.000 1.308 156 I CB 1.000 38.971 38.000 -0.049 0.000 1.400 156 I HN -0.052 nan 8.210 nan 0.000 0.488 157 R N 3.437 123.743 120.500 -0.322 0.000 2.888 157 R HA 0.646 4.984 4.340 -0.003 0.000 0.266 157 R C -1.016 175.120 176.300 -0.274 0.000 1.020 157 R CA -0.910 54.961 56.100 -0.381 0.000 0.963 157 R CB 2.248 32.065 30.300 -0.805 0.000 1.197 157 R HN 0.469 nan 8.270 nan 0.000 0.481 158 S N 0.822 116.445 115.700 -0.128 0.000 2.509 158 S HA 0.406 4.874 4.470 -0.003 0.000 0.297 158 S C -1.264 173.429 174.600 0.154 0.000 1.118 158 S CA -0.672 57.491 58.200 -0.060 0.000 1.074 158 S CB 0.702 63.867 63.200 -0.059 0.000 1.038 158 S HN 0.430 nan 8.310 nan 0.000 0.498 159 Y N 0.553 120.965 120.300 0.187 0.000 2.361 159 Y HA 0.659 5.207 4.550 -0.004 0.000 0.332 159 Y C 0.175 176.099 175.900 0.040 0.000 1.101 159 Y CA -1.362 56.834 58.100 0.160 0.000 1.137 159 Y CB 0.411 38.965 38.460 0.155 0.000 1.207 159 Y HN 0.427 nan 8.280 nan 0.000 0.463 160 R N 2.236 122.890 120.500 0.257 0.000 2.570 160 R HA 0.036 4.374 4.340 -0.003 0.000 0.277 160 R C -0.798 175.617 176.300 0.191 0.000 1.039 160 R CA 0.632 56.834 56.100 0.171 0.000 1.065 160 R CB 0.188 30.578 30.300 0.150 0.000 0.964 160 R HN 0.968 nan 8.270 nan 0.000 0.428 161 Y N 1.929 122.207 120.300 -0.037 0.000 3.324 161 Y HA 0.094 4.642 4.550 -0.003 0.000 0.187 161 Y C -0.570 175.343 175.900 0.023 0.000 0.920 161 Y CA -0.199 57.840 58.100 -0.100 0.000 1.710 161 Y CB 0.329 38.643 38.460 -0.243 0.000 1.461 161 Y HN 0.600 nan 8.280 nan 0.000 0.360 162 W N 4.637 125.914 121.300 -0.039 0.000 2.356 162 W HA 0.236 4.894 4.660 -0.003 0.000 0.311 162 W C -0.836 175.653 176.519 -0.050 0.000 1.328 162 W CA 0.084 57.382 57.345 -0.079 0.000 1.251 162 W CB 0.716 30.178 29.460 0.002 0.000 1.280 162 W HN 0.185 nan 8.180 nan 0.000 0.524 163 D N 5.033 125.083 120.400 -0.583 0.000 2.412 163 D HA 0.298 4.936 4.640 -0.003 0.000 0.224 163 D C 0.827 176.529 176.300 -0.998 0.000 1.093 163 D CA -0.033 53.626 54.000 -0.569 0.000 0.850 163 D CB 1.634 42.193 40.800 -0.401 0.000 1.046 163 D HN 0.447 nan 8.370 nan 0.000 0.507 164 A N 3.451 125.838 122.820 -0.722 0.000 2.015 164 A HA -0.035 4.283 4.320 -0.003 0.000 0.219 164 A C 1.949 179.312 177.584 -0.367 0.000 1.163 164 A CA 1.858 53.577 52.037 -0.530 0.000 0.646 164 A CB -0.543 18.439 19.000 -0.030 0.000 0.806 164 A HN 0.630 nan 8.150 nan 0.000 0.448 165 E N 1.257 121.270 120.200 -0.311 0.000 2.017 165 E HA -0.241 4.107 4.350 -0.003 0.000 0.193 165 E C 1.939 178.372 176.600 -0.277 0.000 0.997 165 E CA 1.791 58.048 56.400 -0.239 0.000 0.804 165 E CB -0.800 28.792 29.700 -0.180 0.000 0.757 165 E HN 0.905 nan 8.360 nan 0.000 0.448 166 K N -0.563 119.639 120.400 -0.330 0.000 2.393 166 K HA 0.097 4.415 4.320 -0.003 0.000 0.193 166 K C 0.369 176.750 176.600 -0.365 0.000 1.026 166 K CA 0.133 56.244 56.287 -0.293 0.000 1.064 166 K CB 0.241 32.596 32.500 -0.241 0.000 0.833 166 K HN 0.208 nan 8.250 nan 0.000 0.521 167 R N 0.787 120.926 120.500 -0.601 0.000 3.225 167 R HA -0.189 4.149 4.340 -0.003 0.000 0.245 167 R C 0.118 176.096 176.300 -0.537 0.000 0.928 167 R CA 0.409 56.025 56.100 -0.807 0.000 0.632 167 R CB -1.953 28.208 30.300 -0.232 0.000 1.038 167 R HN 0.679 nan 8.270 nan 0.000 0.461 168 G N -0.557 107.867 108.800 -0.627 0.000 2.846 168 G HA2 0.535 4.493 3.960 -0.003 0.000 0.299 168 G HA3 0.535 4.493 3.960 -0.003 0.000 0.299 168 G C -1.508 173.195 174.900 -0.327 0.000 1.242 168 G CA -0.962 43.980 45.100 -0.264 0.000 0.800 168 G HN 0.053 nan 8.290 nan 0.000 0.538 169 L N 1.099 122.162 121.223 -0.266 0.000 2.305 169 L HA 0.512 4.850 4.340 -0.003 0.000 0.281 169 L C -0.447 176.275 176.870 -0.246 0.000 1.085 169 L CA -0.649 53.981 54.840 -0.349 0.000 0.813 169 L CB 1.384 43.223 42.059 -0.366 0.000 1.157 169 L HN 0.458 nan 8.230 nan 0.000 0.436 170 D N 3.942 124.217 120.400 -0.210 0.000 2.563 170 D HA 0.022 4.660 4.640 -0.003 0.000 0.222 170 D C 1.021 177.312 176.300 -0.014 0.000 1.145 170 D CA -0.150 53.788 54.000 -0.104 0.000 1.001 170 D CB 0.178 40.937 40.800 -0.069 0.000 1.049 170 D HN 0.546 nan 8.370 nan 0.000 0.515 171 L N 2.553 123.752 121.223 -0.040 0.000 2.046 171 L HA -0.158 4.180 4.340 -0.003 0.000 0.208 171 L C 1.933 178.812 176.870 0.014 0.000 1.077 171 L CA 1.701 56.540 54.840 -0.002 0.000 0.747 171 L CB -0.226 41.790 42.059 -0.072 0.000 0.896 171 L HN 0.300 nan 8.230 nan 0.000 0.432 172 Q N -0.283 119.512 119.800 -0.007 0.000 2.084 172 Q HA -0.100 4.238 4.340 -0.003 0.000 0.202 172 Q C 2.186 178.210 176.000 0.040 0.000 0.978 172 Q CA 1.570 57.372 55.803 -0.002 0.000 0.844 172 Q CB -1.015 27.713 28.738 -0.016 0.000 0.898 172 Q HN 0.641 nan 8.270 nan 0.000 0.426 173 G N 0.632 109.471 108.800 0.066 0.000 2.440 173 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.218 173 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.218 173 G C 1.277 176.301 174.900 0.208 0.000 1.154 173 G CA 0.677 45.842 45.100 0.109 0.000 0.767 173 G HN 0.311 nan 8.290 nan 0.000 0.552 174 F N 1.686 121.659 119.950 0.037 0.000 2.075 174 F HA 0.020 4.544 4.527 -0.004 0.000 0.297 174 F C 2.521 178.300 175.800 -0.035 0.000 1.113 174 F CA 0.997 59.027 58.000 0.050 0.000 1.218 174 F CB -0.917 38.097 39.000 0.024 0.000 0.984 174 F HN 0.074 nan 8.300 nan 0.000 0.472 175 L N 0.119 121.351 121.223 0.015 0.000 2.012 175 L HA -0.276 4.062 4.340 -0.003 0.000 0.210 175 L C 2.527 179.377 176.870 -0.033 0.000 1.073 175 L CA 1.815 56.581 54.840 -0.124 0.000 0.748 175 L CB -1.046 40.936 42.059 -0.128 0.000 0.891 175 L HN 0.289 nan 8.230 nan 0.000 0.431 176 N N 0.147 118.860 118.700 0.021 0.000 2.120 176 N HA -0.217 4.521 4.740 -0.003 0.000 0.188 176 N C 1.361 176.899 175.510 0.048 0.000 1.024 176 N CA 1.730 54.797 53.050 0.029 0.000 0.852 176 N CB 0.015 38.526 38.487 0.041 0.000 1.003 176 N HN 0.310 nan 8.380 nan 0.000 0.424 177 D N 1.018 121.479 120.400 0.101 0.000 2.117 177 D HA -0.102 4.536 4.640 -0.003 0.000 0.197 177 D C 2.145 178.429 176.300 -0.027 0.000 0.987 177 D CA 0.545 54.618 54.000 0.121 0.000 0.829 177 D CB -0.287 40.668 40.800 0.258 0.000 0.961 177 D HN 0.346 nan 8.370 nan 0.000 0.460 178 L N 0.806 121.989 121.223 -0.066 0.000 2.093 178 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 178 L C 2.330 179.122 176.870 -0.131 0.000 1.085 178 L CA 0.999 55.728 54.840 -0.186 0.000 0.755 178 L CB -0.340 41.605 42.059 -0.190 0.000 0.904 178 L HN 0.013 nan 8.230 nan 0.000 0.435 179 E N 0.182 120.338 120.200 -0.073 0.000 2.110 179 E HA -0.179 4.169 4.350 -0.003 0.000 0.193 179 E C 1.394 177.977 176.600 -0.029 0.000 0.988 179 E CA 0.904 57.274 56.400 -0.050 0.000 0.804 179 E CB -0.082 29.600 29.700 -0.031 0.000 0.745 179 E HN 0.518 nan 8.360 nan 0.000 0.458 180 N N 0.416 119.112 118.700 -0.007 0.000 2.398 180 N HA 0.054 4.792 4.740 -0.003 0.000 0.188 180 N C -0.079 175.467 175.510 0.060 0.000 1.122 180 N CA 0.066 53.137 53.050 0.034 0.000 0.866 180 N CB 0.448 38.974 38.487 0.065 0.000 0.970 180 N HN -0.006 nan 8.380 nan 0.000 0.462 181 A N 2.179 124.994 122.820 -0.008 0.000 2.401 181 A HA 0.388 4.706 4.320 -0.003 0.000 0.259 181 A C -2.169 175.475 177.584 0.101 0.000 1.103 181 A CA -1.014 51.047 52.037 0.040 0.000 0.789 181 A CB 0.039 18.874 19.000 -0.276 0.000 1.035 181 A HN -0.053 nan 8.150 nan 0.000 0.491 182 P HA 0.077 nan 4.420 nan 0.000 0.267 182 P C -0.198 177.208 177.300 0.177 0.000 1.200 182 P CA 0.085 63.291 63.100 0.178 0.000 0.772 182 P CB 0.366 32.194 31.700 0.213 0.000 0.855 183 E N 1.460 121.753 120.200 0.155 0.000 2.467 183 E HA -0.046 4.301 4.350 -0.003 0.000 0.264 183 E C -0.015 176.729 176.600 0.240 0.000 1.020 183 E CA 0.369 56.824 56.400 0.091 0.000 0.945 183 E CB -0.233 29.533 29.700 0.110 0.000 0.942 183 E HN 0.385 nan 8.360 nan 0.000 0.449 184 F N -0.865 119.291 119.950 0.343 0.000 2.825 184 F HA -0.297 4.228 4.527 -0.004 0.000 0.358 184 F C 0.770 176.823 175.800 0.422 0.000 0.639 184 F CA 0.650 58.876 58.000 0.377 0.000 1.153 184 F CB -2.169 36.950 39.000 0.197 0.000 1.610 184 F HN 0.190 nan 8.300 nan 0.000 0.305 185 S N 1.122 117.089 115.700 0.444 0.000 2.563 185 S HA 0.355 4.823 4.470 -0.003 0.000 0.284 185 S C 0.532 175.378 174.600 0.409 0.000 1.331 185 S CA -0.264 58.185 58.200 0.415 0.000 1.047 185 S CB 0.681 64.124 63.200 0.404 0.000 0.859 185 S HN 0.229 nan 8.310 nan 0.000 0.514 186 I N 2.369 123.138 120.570 0.333 0.000 2.365 186 I HA 0.273 4.440 4.170 -0.003 0.000 0.291 186 I C -0.563 175.684 176.117 0.216 0.000 1.004 186 I CA -0.487 60.977 61.300 0.273 0.000 1.311 186 I CB 0.936 38.989 38.000 0.088 0.000 1.401 186 I HN 0.209 nan 8.210 nan 0.000 0.491 187 V N 7.288 127.322 119.914 0.200 0.000 2.378 187 V HA 0.258 4.375 4.120 -0.003 0.000 0.288 187 V C -0.005 176.119 176.094 0.050 0.000 1.016 187 V CA -0.745 61.638 62.300 0.138 0.000 0.840 187 V CB 1.775 33.636 31.823 0.064 0.000 0.994 187 V HN 0.385 nan 8.190 nan 0.000 0.431 188 V N 7.110 127.026 119.914 0.003 0.000 2.368 188 V HA 0.385 4.503 4.120 -0.003 0.000 0.266 188 V C -0.063 176.048 176.094 0.028 0.000 1.045 188 V CA -0.136 62.078 62.300 -0.143 0.000 0.899 188 V CB 0.891 32.410 31.823 -0.506 0.000 1.006 188 V HN 0.616 nan 8.190 nan 0.000 0.470 189 L N 5.269 126.473 121.223 -0.031 0.000 2.333 189 L HA 0.525 4.863 4.340 -0.003 0.000 0.280 189 L C 0.135 177.171 176.870 0.276 0.000 1.004 189 L CA -0.592 54.333 54.840 0.141 0.000 0.820 189 L CB 1.366 43.300 42.059 -0.208 0.000 1.247 189 L HN 0.585 nan 8.230 nan 0.000 0.416 190 H N 2.647 121.932 119.070 0.358 0.000 2.819 190 H HA 0.106 4.661 4.556 -0.003 0.000 0.303 190 H C 0.681 176.331 175.328 0.537 0.000 1.058 190 H CA -0.031 56.251 56.048 0.390 0.000 1.471 190 H CB 1.729 31.697 29.762 0.342 0.000 1.480 190 H HN 0.879 nan 8.280 nan 0.000 0.517 191 A N 3.982 127.119 122.820 0.528 0.000 1.933 191 A HA -0.065 4.252 4.320 -0.003 0.000 0.218 191 A C 1.168 178.986 177.584 0.391 0.000 1.175 191 A CA 1.416 53.678 52.037 0.375 0.000 0.628 191 A CB -0.203 18.878 19.000 0.135 0.000 0.814 191 A HN 0.844 nan 8.150 nan 0.000 0.444 192 C N -6.535 113.016 119.300 0.418 0.000 3.275 192 C HA 0.703 5.161 4.460 -0.003 0.000 0.340 192 C C 0.480 175.696 174.990 0.378 0.000 1.366 192 C CA -0.639 58.622 59.018 0.404 0.000 1.227 192 C CB 0.828 28.752 27.740 0.306 0.000 1.512 192 C HN 2.252 nan 8.230 nan 0.000 0.461 193 A N 0.941 123.943 122.820 0.304 0.000 2.578 193 A HA -0.098 4.220 4.320 -0.003 0.000 0.298 193 A C 0.241 177.936 177.584 0.184 0.000 1.472 193 A CA 1.209 53.358 52.037 0.186 0.000 0.734 193 A CB -2.411 16.654 19.000 0.109 0.000 1.091 193 A HN 2.137 nan 8.150 nan 0.000 0.426 194 H N 0.688 119.832 119.070 0.123 0.000 3.094 194 H HA 0.144 4.698 4.556 -0.003 0.000 0.320 194 H C 0.260 175.540 175.328 -0.081 0.000 1.000 194 H CA 1.467 57.497 56.048 -0.031 0.000 1.413 194 H CB 0.426 30.118 29.762 -0.117 0.000 1.405 194 H HN 0.659 nan 8.280 nan 0.000 0.586 195 N N 6.928 125.323 118.700 -0.508 0.000 2.444 195 N HA 0.156 4.894 4.740 -0.003 0.000 0.262 195 N C -2.219 172.882 175.510 -0.683 0.000 0.974 195 N CA -2.265 50.561 53.050 -0.373 0.000 0.933 195 N CB 1.561 40.006 38.487 -0.069 0.000 1.137 195 N HN 0.405 nan 8.380 nan 0.000 0.498 196 P HA 0.121 nan 4.420 nan 0.000 0.275 196 P C 0.687 177.690 177.300 -0.496 0.000 1.310 196 P CA 0.266 63.042 63.100 -0.541 0.000 0.904 196 P CB 0.350 31.745 31.700 -0.508 0.000 1.381 197 T N -4.302 109.986 114.554 -0.443 0.000 3.023 197 T HA 0.159 4.507 4.350 -0.003 0.000 0.266 197 T C 1.676 176.301 174.700 -0.124 0.000 1.093 197 T CA 1.064 62.797 62.100 -0.612 0.000 1.129 197 T CB -1.357 67.112 68.868 -0.665 0.000 0.899 197 T HN 0.157 nan 8.240 nan 0.000 0.491 198 G N 1.408 110.248 108.800 0.065 0.000 2.203 198 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.263 198 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.263 198 G C -0.040 174.954 174.900 0.156 0.000 1.012 198 G CA 0.292 45.471 45.100 0.131 0.000 0.749 198 G HN 0.588 nan 8.290 nan 0.000 0.512 199 I N 0.817 121.487 120.570 0.166 0.000 2.406 199 I HA 0.459 4.627 4.170 -0.003 0.000 0.290 199 I C -0.684 175.533 176.117 0.166 0.000 0.999 199 I CA -0.944 60.452 61.300 0.159 0.000 1.124 199 I CB 1.681 39.791 38.000 0.184 0.000 1.289 199 I HN -0.078 nan 8.210 nan 0.000 0.441 200 D N 7.208 127.704 120.400 0.159 0.000 2.299 200 D HA 0.523 5.161 4.640 -0.003 0.000 0.243 200 D C -2.372 173.955 176.300 0.044 0.000 0.982 200 D CA -1.332 52.792 54.000 0.207 0.000 0.924 200 D CB 1.516 42.498 40.800 0.304 0.000 1.238 200 D HN 0.168 nan 8.370 nan 0.000 0.484 201 P HA 0.119 nan 4.420 nan 0.000 0.271 201 P C -0.000 177.226 177.300 -0.123 0.000 1.218 201 P CA -0.303 62.597 63.100 -0.333 0.000 0.780 201 P CB 0.224 31.330 31.700 -0.989 0.000 0.901 202 T N 0.144 114.649 114.554 -0.082 0.000 2.813 202 T HA 0.168 4.516 4.350 -0.003 0.000 0.297 202 T C -1.799 172.937 174.700 0.059 0.000 1.036 202 T CA -1.413 60.681 62.100 -0.011 0.000 1.044 202 T CB -0.116 68.717 68.868 -0.059 0.000 0.993 202 T HN 0.145 nan 8.240 nan 0.000 0.535 203 P HA -0.125 nan 4.420 nan 0.000 0.216 203 P C 1.648 178.893 177.300 -0.092 0.000 1.153 203 P CA 1.029 63.951 63.100 -0.296 0.000 0.858 203 P CB 0.063 31.196 31.700 -0.946 0.000 0.789 204 E N -0.459 119.678 120.200 -0.105 0.000 2.110 204 E HA -0.182 4.166 4.350 -0.003 0.000 0.193 204 E C 2.059 178.648 176.600 -0.018 0.000 0.988 204 E CA 1.166 57.535 56.400 -0.052 0.000 0.804 204 E CB -0.553 29.111 29.700 -0.060 0.000 0.745 204 E HN 0.476 nan 8.360 nan 0.000 0.458 205 Q N -0.869 118.910 119.800 -0.035 0.000 2.079 205 Q HA -0.126 4.212 4.340 -0.003 0.000 0.200 205 Q C 2.084 178.062 176.000 -0.036 0.000 0.974 205 Q CA 1.058 56.811 55.803 -0.083 0.000 0.840 205 Q CB -0.308 28.334 28.738 -0.161 0.000 0.898 205 Q HN 0.361 nan 8.270 nan 0.000 0.430 206 W N 1.605 122.934 121.300 0.048 0.000 2.350 206 W HA -0.177 4.481 4.660 -0.003 0.000 0.289 206 W C 2.090 178.639 176.519 0.050 0.000 1.215 206 W CA 0.767 58.197 57.345 0.142 0.000 1.236 206 W CB 0.161 29.821 29.460 0.333 0.000 1.130 206 W HN 0.086 nan 8.180 nan 0.000 0.541 207 K N -0.085 120.420 120.400 0.175 0.000 2.097 207 K HA -0.176 4.142 4.320 -0.003 0.000 0.205 207 K C 1.885 178.529 176.600 0.074 0.000 1.050 207 K CA 1.344 57.662 56.287 0.051 0.000 0.938 207 K CB -0.371 32.124 32.500 -0.010 0.000 0.718 207 K HN 0.301 nan 8.250 nan 0.000 0.442 208 Q N 0.578 120.391 119.800 0.021 0.000 2.119 208 Q HA -0.078 4.260 4.340 -0.003 0.000 0.201 208 Q C 2.136 178.092 176.000 -0.074 0.000 0.972 208 Q CA 1.058 56.842 55.803 -0.032 0.000 0.847 208 Q CB -0.115 28.583 28.738 -0.067 0.000 0.903 208 Q HN 0.313 nan 8.270 nan 0.000 0.433 209 I N 0.849 121.366 120.570 -0.088 0.000 2.142 209 I HA -0.287 3.881 4.170 -0.003 0.000 0.240 209 I C 2.487 178.598 176.117 -0.010 0.000 1.078 209 I CA 1.050 62.251 61.300 -0.164 0.000 1.343 209 I CB -0.472 37.420 38.000 -0.180 0.000 1.046 209 I HN 0.159 nan 8.210 nan 0.000 0.405 210 A N -0.193 122.679 122.820 0.087 0.000 1.908 210 A HA -0.277 4.041 4.320 -0.003 0.000 0.218 210 A C 2.492 180.076 177.584 -0.000 0.000 1.181 210 A CA 2.368 54.347 52.037 -0.097 0.000 0.627 210 A CB -0.940 17.870 19.000 -0.317 0.000 0.818 210 A HN 0.413 nan 8.150 nan 0.000 0.445 211 S N -0.705 114.968 115.700 -0.045 0.000 2.359 211 S HA -0.149 4.319 4.470 -0.003 0.000 0.224 211 S C 1.903 176.350 174.600 -0.255 0.000 1.035 211 S CA 1.804 59.893 58.200 -0.184 0.000 1.018 211 S CB -0.509 62.625 63.200 -0.110 0.000 0.876 211 S HN 0.338 nan 8.310 nan 0.000 0.448 212 V N 2.055 121.903 119.914 -0.110 0.000 2.427 212 V HA -0.163 3.955 4.120 -0.003 0.000 0.248 212 V C 2.430 178.488 176.094 -0.061 0.000 1.051 212 V CA 2.015 64.273 62.300 -0.070 0.000 1.048 212 V CB -0.675 31.091 31.823 -0.094 0.000 0.666 212 V HN 0.516 nan 8.190 nan 0.000 0.456 213 M N -0.190 119.408 119.600 -0.002 0.000 2.117 213 M HA -0.194 4.284 4.480 -0.003 0.000 0.262 213 M C 2.543 178.951 176.300 0.181 0.000 1.065 213 M CA 2.063 57.431 55.300 0.113 0.000 1.114 213 M CB -0.510 32.185 32.600 0.159 0.000 1.361 213 M HN 0.274 nan 8.290 nan 0.000 0.408 214 K N -0.539 119.949 120.400 0.146 0.000 2.026 214 K HA -0.164 4.154 4.320 -0.003 0.000 0.208 214 K C 1.860 178.313 176.600 -0.245 0.000 1.048 214 K CA 1.604 57.803 56.287 -0.146 0.000 0.929 214 K CB -0.809 31.475 32.500 -0.359 0.000 0.713 214 K HN 0.483 nan 8.250 nan 0.000 0.439 215 H N 0.021 118.953 119.070 -0.231 0.000 2.387 215 H HA 0.090 4.644 4.556 -0.003 0.000 0.299 215 H C 2.072 176.952 175.328 -0.747 0.000 1.090 215 H CA 1.561 57.379 56.048 -0.383 0.000 1.332 215 H CB -0.001 29.619 29.762 -0.236 0.000 1.386 215 H HN 0.264 nan 8.280 nan 0.000 0.516 216 R N -0.045 120.194 120.500 -0.436 0.000 2.359 216 R HA 0.032 4.370 4.340 -0.003 0.000 0.231 216 R C -0.355 175.656 176.300 -0.482 0.000 0.913 216 R CA -0.228 55.559 56.100 -0.521 0.000 1.075 216 R CB 0.173 30.348 30.300 -0.209 0.000 1.087 216 R HN 0.107 nan 8.270 nan 0.000 0.515 217 F N 0.169 120.061 119.950 -0.096 0.000 3.039 217 F HA -0.241 4.284 4.527 -0.003 0.000 0.287 217 F C -0.136 175.638 175.800 -0.043 0.000 0.956 217 F CA 0.019 57.915 58.000 -0.173 0.000 0.971 217 F CB -2.401 36.210 39.000 -0.648 0.000 0.943 217 F HN -0.001 nan 8.300 nan 0.000 0.766 218 L N 0.061 121.415 121.223 0.218 0.000 2.375 218 L HA 0.429 4.767 4.340 -0.003 0.000 0.271 218 L C 0.355 177.462 176.870 0.395 0.000 1.107 218 L CA -0.657 54.346 54.840 0.272 0.000 0.806 218 L CB 0.934 43.075 42.059 0.136 0.000 1.146 218 L HN 0.180 nan 8.230 nan 0.000 0.447 219 F N 4.738 124.839 119.950 0.251 0.000 2.404 219 F HA 0.411 4.936 4.527 -0.004 0.000 0.358 219 F C -2.150 173.674 175.800 0.041 0.000 1.120 219 F CA -2.336 55.764 58.000 0.166 0.000 1.144 219 F CB 1.004 40.014 39.000 0.016 0.000 1.133 219 F HN 0.190 nan 8.300 nan 0.000 0.495 220 P HA 0.129 nan 4.420 nan 0.000 0.282 220 P C -1.168 175.787 177.300 -0.574 0.000 1.274 220 P CA 0.199 62.926 63.100 -0.621 0.000 0.770 220 P CB 0.311 31.477 31.700 -0.890 0.000 0.867 221 F N 4.510 124.252 119.950 -0.346 0.000 2.359 221 F HA 0.427 4.952 4.527 -0.003 0.000 0.369 221 F C -0.605 175.119 175.800 -0.126 0.000 1.084 221 F CA -1.330 56.681 58.000 0.018 0.000 1.096 221 F CB 0.342 39.544 39.000 0.337 0.000 1.335 221 F HN 0.125 nan 8.300 nan 0.000 0.457 222 F N 3.265 123.418 119.950 0.338 0.000 2.471 222 F HA 0.154 4.679 4.527 -0.004 0.000 0.353 222 F C 0.447 176.402 175.800 0.258 0.000 1.113 222 F CA 0.063 58.151 58.000 0.146 0.000 1.262 222 F CB 0.510 39.481 39.000 -0.047 0.000 1.146 222 F HN 0.331 nan 8.300 nan 0.000 0.578 223 D N 1.550 122.139 120.400 0.316 0.000 2.481 223 D HA 0.153 4.791 4.640 -0.003 0.000 0.246 223 D C -1.108 175.284 176.300 0.155 0.000 1.109 223 D CA -0.174 53.937 54.000 0.185 0.000 0.845 223 D CB 1.556 42.390 40.800 0.058 0.000 1.160 223 D HN 0.336 nan 8.370 nan 0.000 0.534 224 S N 2.713 118.472 115.700 0.100 0.000 2.269 224 S HA 0.558 5.026 4.470 -0.003 0.000 0.194 224 S C 0.417 174.968 174.600 -0.080 0.000 1.547 224 S CA -0.293 57.939 58.200 0.053 0.000 1.186 224 S CB 0.156 63.377 63.200 0.035 0.000 1.069 224 S HN 0.508 nan 8.310 nan 0.000 0.473 225 A N 2.891 125.617 122.820 -0.157 0.000 2.303 225 A HA 0.387 4.705 4.320 -0.003 0.000 0.217 225 A C 0.192 177.398 177.584 -0.631 0.000 1.205 225 A CA 0.245 51.987 52.037 -0.492 0.000 0.875 225 A CB 0.002 18.527 19.000 -0.792 0.000 0.910 225 A HN 0.749 nan 8.150 nan 0.000 0.501 226 Y N -0.411 119.917 120.300 0.046 0.000 2.721 226 Y HA 0.284 4.832 4.550 -0.003 0.000 0.251 226 Y C 0.525 176.600 175.900 0.291 0.000 1.136 226 Y CA -0.883 57.315 58.100 0.162 0.000 1.142 226 Y CB -0.085 38.417 38.460 0.070 0.000 1.212 226 Y HN 0.328 nan 8.280 nan 0.000 0.565 227 Q N 1.040 121.001 119.800 0.268 0.000 2.262 227 Q HA 0.287 4.625 4.340 -0.003 0.000 0.298 227 Q C 1.147 177.258 176.000 0.185 0.000 1.083 227 Q CA 1.741 57.672 55.803 0.213 0.000 0.962 227 Q CB 0.211 29.041 28.738 0.153 0.000 1.104 227 Q HN 0.818 nan 8.270 nan 0.000 0.376 228 G N 3.302 112.159 108.800 0.096 0.000 2.339 228 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.209 228 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.209 228 G C 0.276 175.067 174.900 -0.181 0.000 1.015 228 G CA 0.069 45.094 45.100 -0.125 0.000 0.635 228 G HN 0.644 nan 8.290 nan 0.000 0.499 229 F N 1.902 121.878 119.950 0.045 0.000 2.615 229 F HA 0.485 5.009 4.527 -0.004 0.000 0.297 229 F C 2.732 178.549 175.800 0.027 0.000 1.124 229 F CA 1.349 59.367 58.000 0.030 0.000 1.451 229 F CB 0.108 39.140 39.000 0.053 0.000 1.103 229 F HN 0.369 nan 8.300 nan 0.000 0.569 230 A N -0.310 122.637 122.820 0.211 0.000 1.898 230 A HA -0.099 4.219 4.320 -0.003 0.000 0.214 230 A C 2.139 179.783 177.584 0.100 0.000 1.183 230 A CA 1.782 53.914 52.037 0.159 0.000 0.622 230 A CB -0.732 18.380 19.000 0.186 0.000 0.824 230 A HN 0.311 nan 8.150 nan 0.000 0.444 231 S N -3.589 112.150 115.700 0.065 0.000 2.578 231 S HA 0.438 4.906 4.470 -0.003 0.000 0.228 231 S C 1.350 175.938 174.600 -0.020 0.000 1.022 231 S CA 1.104 59.322 58.200 0.030 0.000 0.967 231 S CB 0.407 63.629 63.200 0.036 0.000 0.914 231 S HN 1.903 nan 8.310 nan 0.000 0.515 232 G N 1.736 110.497 108.800 -0.065 0.000 2.205 232 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.261 232 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.261 232 G C -0.109 174.695 174.900 -0.160 0.000 0.980 232 G CA 0.206 45.221 45.100 -0.142 0.000 0.632 232 G HN 0.680 nan 8.290 nan 0.000 0.533 233 N N 0.144 118.786 118.700 -0.096 0.000 2.448 233 N HA 0.474 5.212 4.740 -0.003 0.000 0.279 233 N C 1.476 176.965 175.510 -0.036 0.000 1.025 233 N CA -0.501 52.504 53.050 -0.075 0.000 0.898 233 N CB 1.489 39.962 38.487 -0.023 0.000 1.303 233 N HN 0.050 nan 8.380 nan 0.000 0.495 234 L N 2.650 123.838 121.223 -0.058 0.000 2.042 234 L HA -0.167 4.171 4.340 -0.003 0.000 0.210 234 L C 2.364 179.292 176.870 0.096 0.000 1.076 234 L CA 1.517 56.371 54.840 0.024 0.000 0.749 234 L CB -0.191 41.898 42.059 0.050 0.000 0.893 234 L HN 0.686 nan 8.230 nan 0.000 0.432 235 E N 0.333 120.596 120.200 0.105 0.000 2.058 235 E HA -0.299 4.049 4.350 -0.003 0.000 0.194 235 E C 2.388 179.069 176.600 0.136 0.000 0.997 235 E CA 1.399 57.874 56.400 0.125 0.000 0.801 235 E CB -0.066 29.707 29.700 0.121 0.000 0.746 235 E HN 0.280 nan 8.360 nan 0.000 0.450 236 R N 0.127 120.699 120.500 0.120 0.000 2.096 236 R HA -0.147 4.191 4.340 -0.003 0.000 0.235 236 R C 1.478 177.879 176.300 0.169 0.000 1.127 236 R CA 1.890 58.075 56.100 0.142 0.000 0.968 236 R CB -0.044 30.306 30.300 0.083 0.000 0.861 236 R HN 0.213 nan 8.270 nan 0.000 0.440 237 D N -0.144 120.336 120.400 0.133 0.000 2.310 237 D HA -0.071 4.567 4.640 -0.003 0.000 0.212 237 D C 1.054 177.430 176.300 0.128 0.000 0.965 237 D CA 1.145 55.233 54.000 0.147 0.000 0.879 237 D CB 0.141 41.022 40.800 0.135 0.000 0.921 237 D HN 0.367 nan 8.370 nan 0.000 0.510 238 A N -0.734 122.149 122.820 0.104 0.000 2.275 238 A HA 0.057 4.375 4.320 -0.003 0.000 0.212 238 A C 1.710 179.287 177.584 -0.012 0.000 1.201 238 A CA -0.352 51.693 52.037 0.014 0.000 0.843 238 A CB -0.839 18.173 19.000 0.019 0.000 0.873 238 A HN 0.283 nan 8.150 nan 0.000 0.492 239 W N 1.032 122.294 121.300 -0.062 0.000 2.305 239 W HA -0.329 4.330 4.660 -0.003 0.000 0.308 239 W C 2.165 178.604 176.519 -0.134 0.000 1.226 239 W CA 2.705 60.018 57.345 -0.053 0.000 1.253 239 W CB -0.053 29.401 29.460 -0.010 0.000 1.146 239 W HN 0.373 nan 8.180 nan 0.000 0.507 240 A N 0.033 122.755 122.820 -0.163 0.000 1.898 240 A HA -0.162 4.156 4.320 -0.003 0.000 0.216 240 A C 1.978 179.127 177.584 -0.725 0.000 1.181 240 A CA 1.882 53.556 52.037 -0.605 0.000 0.620 240 A CB -1.002 17.238 19.000 -1.268 0.000 0.819 240 A HN 0.379 nan 8.150 nan 0.000 0.442 241 I N -0.726 119.334 120.570 -0.851 0.000 2.163 241 I HA -0.313 3.855 4.170 -0.003 0.000 0.243 241 I C 2.754 178.603 176.117 -0.446 0.000 1.085 241 I CA 1.689 62.414 61.300 -0.958 0.000 1.347 241 I CB -0.367 37.229 38.000 -0.672 0.000 1.044 241 I HN 0.281 nan 8.210 nan 0.000 0.408 242 R N -0.547 119.744 120.500 -0.349 0.000 2.115 242 R HA -0.192 4.146 4.340 -0.003 0.000 0.230 242 R C 2.341 178.462 176.300 -0.298 0.000 1.111 242 R CA 1.331 57.283 56.100 -0.246 0.000 0.976 242 R CB -0.457 29.701 30.300 -0.238 0.000 0.870 242 R HN 0.366 nan 8.270 nan 0.000 0.445 243 Y N 0.231 120.140 120.300 -0.652 0.000 2.242 243 Y HA -0.182 4.366 4.550 -0.003 0.000 0.291 243 Y C 1.623 177.393 175.900 -0.217 0.000 1.137 243 Y CA 1.330 59.068 58.100 -0.604 0.000 1.181 243 Y CB -0.145 37.678 38.460 -1.062 0.000 0.989 243 Y HN -0.119 nan 8.280 nan 0.000 0.527 244 F N -1.051 118.698 119.950 -0.336 0.000 2.186 244 F HA -0.174 4.351 4.527 -0.004 0.000 0.299 244 F C 2.361 178.208 175.800 0.078 0.000 1.090 244 F CA 1.290 59.178 58.000 -0.187 0.000 1.307 244 F CB -0.897 37.821 39.000 -0.470 0.000 1.019 244 F HN -0.125 nan 8.300 nan 0.000 0.489 245 V N -0.133 119.948 119.914 0.278 0.000 2.255 245 V HA -0.328 3.790 4.120 -0.003 0.000 0.247 245 V C 2.494 178.617 176.094 0.047 0.000 1.051 245 V CA 2.236 64.697 62.300 0.268 0.000 1.018 245 V CB -1.197 30.724 31.823 0.163 0.000 0.641 245 V HN 0.508 nan 8.190 nan 0.000 0.445 246 S N -0.628 115.003 115.700 -0.115 0.000 2.447 246 S HA -0.145 4.323 4.470 -0.003 0.000 0.233 246 S C 1.635 176.091 174.600 -0.240 0.000 1.006 246 S CA 1.095 59.187 58.200 -0.180 0.000 0.957 246 S CB -0.319 62.753 63.200 -0.215 0.000 0.773 246 S HN 0.616 nan 8.310 nan 0.000 0.507 247 E N 0.897 120.906 120.200 -0.319 0.000 2.489 247 E HA 0.199 4.547 4.350 -0.003 0.000 0.193 247 E C 1.358 177.823 176.600 -0.225 0.000 1.057 247 E CA 0.590 56.803 56.400 -0.313 0.000 0.866 247 E CB 0.015 29.469 29.700 -0.410 0.000 0.916 247 E HN 0.753 nan 8.360 nan 0.000 0.500 248 G N 1.021 109.766 108.800 -0.093 0.000 2.144 248 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.218 248 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.218 248 G C 0.033 174.903 174.900 -0.050 0.000 0.988 248 G CA -0.310 44.737 45.100 -0.088 0.000 0.659 248 G HN 0.181 nan 8.290 nan 0.000 0.522 249 F N 1.871 121.879 119.950 0.097 0.000 2.471 249 F HA 0.431 4.956 4.527 -0.004 0.000 0.353 249 F C 1.224 177.167 175.800 0.238 0.000 1.113 249 F CA 0.020 58.147 58.000 0.212 0.000 1.262 249 F CB 0.611 39.826 39.000 0.359 0.000 1.146 249 F HN 0.124 nan 8.300 nan 0.000 0.578 250 E N 3.389 123.803 120.200 0.356 0.000 2.313 250 E HA 0.507 4.855 4.350 -0.003 0.000 0.272 250 E C -1.035 175.673 176.600 0.180 0.000 1.038 250 E CA -0.387 56.123 56.400 0.185 0.000 0.863 250 E CB 1.365 31.169 29.700 0.173 0.000 1.060 250 E HN 0.450 nan 8.360 nan 0.000 0.402 251 F N -0.700 119.170 119.950 -0.133 0.000 2.842 251 F HA 0.491 5.016 4.527 -0.003 0.000 0.319 251 F C -2.030 173.665 175.800 -0.176 0.000 1.159 251 F CA -1.396 56.309 58.000 -0.491 0.000 0.902 251 F CB 0.619 39.435 39.000 -0.306 0.000 1.311 251 F HN 0.155 nan 8.300 nan 0.000 0.453 252 F N 1.481 121.420 119.950 -0.019 0.000 2.470 252 F HA 0.685 5.210 4.527 -0.003 0.000 0.329 252 F C -0.042 175.922 175.800 0.274 0.000 1.072 252 F CA -2.093 55.874 58.000 -0.055 0.000 0.989 252 F CB 1.725 40.357 39.000 -0.614 0.000 1.193 252 F HN 0.927 nan 8.300 nan 0.000 0.481 253 C N 2.906 122.480 119.300 0.457 0.000 2.571 253 C HA 0.817 5.275 4.460 -0.003 0.000 0.343 253 C C -0.467 174.716 174.990 0.321 0.000 1.082 253 C CA -0.596 58.700 59.018 0.463 0.000 1.339 253 C CB -0.709 27.268 27.740 0.396 0.000 1.893 253 C HN 0.961 nan 8.230 nan 0.000 0.445 254 A N 6.110 129.175 122.820 0.409 0.000 2.350 254 A HA 0.568 4.886 4.320 -0.003 0.000 0.293 254 A C -0.062 177.604 177.584 0.137 0.000 1.231 254 A CA 0.036 52.249 52.037 0.293 0.000 0.883 254 A CB 0.246 19.477 19.000 0.385 0.000 1.133 254 A HN 0.914 nan 8.150 nan 0.000 0.533 255 Q N 1.269 121.103 119.800 0.057 0.000 2.256 255 Q HA 0.549 4.887 4.340 -0.003 0.000 0.257 255 Q C -0.308 175.574 176.000 -0.197 0.000 0.936 255 Q CA -0.398 55.337 55.803 -0.113 0.000 0.903 255 Q CB 1.920 30.564 28.738 -0.156 0.000 1.263 255 Q HN 0.662 nan 8.270 nan 0.000 0.440 256 S N 1.264 116.747 115.700 -0.362 0.000 2.503 256 S HA 0.558 5.026 4.470 -0.003 0.000 0.301 256 S C -0.842 173.427 174.600 -0.551 0.000 1.087 256 S CA -0.555 57.452 58.200 -0.322 0.000 1.042 256 S CB 0.496 63.542 63.200 -0.257 0.000 1.043 256 S HN 0.560 nan 8.310 nan 0.000 0.489 257 F N 2.142 122.114 119.950 0.037 0.000 2.683 257 F HA 0.325 4.851 4.527 -0.002 0.000 0.306 257 F C 2.062 177.872 175.800 0.016 0.000 1.102 257 F CA -0.332 57.726 58.000 0.096 0.000 1.244 257 F CB 0.193 39.193 39.000 -0.001 0.000 1.029 257 F HN 0.494 nan 8.300 nan 0.000 0.545 258 S N 0.271 115.965 115.700 -0.011 0.000 2.382 258 S HA -0.167 4.301 4.470 -0.003 0.000 0.228 258 S C 2.016 176.311 174.600 -0.510 0.000 1.027 258 S CA 1.545 59.609 58.200 -0.226 0.000 0.991 258 S CB 0.023 63.133 63.200 -0.150 0.000 0.823 258 S HN 0.239 nan 8.310 nan 0.000 0.469 259 K N 1.693 121.969 120.400 -0.207 0.000 2.108 259 K HA 0.125 4.443 4.320 -0.003 0.000 0.204 259 K C 1.712 178.501 176.600 0.315 0.000 1.036 259 K CA 1.008 57.260 56.287 -0.058 0.000 0.965 259 K CB -0.396 32.048 32.500 -0.094 0.000 0.804 259 K HN 0.356 nan 8.250 nan 0.000 0.454 260 N N -0.063 118.920 118.700 0.472 0.000 2.381 260 N HA -0.118 4.620 4.740 -0.003 0.000 0.182 260 N C 0.866 176.656 175.510 0.466 0.000 1.025 260 N CA 1.217 54.563 53.050 0.492 0.000 0.888 260 N CB -0.338 38.441 38.487 0.487 0.000 0.965 260 N HN 0.096 nan 8.380 nan 0.000 0.438 261 F N -0.645 119.510 119.950 0.341 0.000 2.678 261 F HA 0.420 4.945 4.527 -0.003 0.000 0.305 261 F C 1.674 177.508 175.800 0.055 0.000 1.090 261 F CA 0.082 58.219 58.000 0.228 0.000 1.272 261 F CB 0.249 39.303 39.000 0.090 0.000 1.060 261 F HN 0.188 nan 8.300 nan 0.000 0.576 262 G N 1.255 110.120 108.800 0.109 0.000 2.225 262 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.267 262 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.267 262 G C 0.481 175.347 174.900 -0.056 0.000 1.024 262 G CA 0.224 45.309 45.100 -0.024 0.000 0.784 262 G HN 0.384 nan 8.290 nan 0.000 0.507 263 L N 0.142 121.305 121.223 -0.099 0.000 3.036 263 L HA 0.307 4.645 4.340 -0.003 0.000 0.237 263 L C 2.014 178.876 176.870 -0.013 0.000 1.319 263 L CA -0.863 53.975 54.840 -0.002 0.000 1.112 263 L CB -0.436 41.626 42.059 0.004 0.000 1.480 263 L HN 0.295 nan 8.230 nan 0.000 0.506 264 Y N 0.730 121.093 120.300 0.105 0.000 2.030 264 Y HA -0.360 4.188 4.550 -0.003 0.000 0.272 264 Y C 2.427 178.352 175.900 0.041 0.000 1.185 264 Y CA 1.954 60.105 58.100 0.085 0.000 1.120 264 Y CB -0.541 37.981 38.460 0.103 0.000 0.955 264 Y HN 0.578 nan 8.280 nan 0.000 0.495 265 N N -0.283 118.538 118.700 0.201 0.000 2.383 265 N HA -0.071 4.667 4.740 -0.003 0.000 0.192 265 N C 0.528 176.051 175.510 0.023 0.000 1.141 265 N CA 0.619 53.721 53.050 0.087 0.000 0.851 265 N CB -0.221 38.306 38.487 0.067 0.000 0.976 265 N HN 0.360 nan 8.380 nan 0.000 0.465 266 E N 0.600 120.803 120.200 0.005 0.000 2.481 266 E HA 0.100 4.448 4.350 -0.003 0.000 0.198 266 E C -0.234 176.308 176.600 -0.096 0.000 1.027 266 E CA -0.151 56.216 56.400 -0.055 0.000 0.900 266 E CB 0.228 29.885 29.700 -0.072 0.000 0.993 266 E HN 0.138 nan 8.360 nan 0.000 0.482 267 R N -0.063 120.398 120.500 -0.065 0.000 3.084 267 R HA -0.114 4.224 4.340 -0.003 0.000 0.258 267 R C -0.727 175.490 176.300 -0.138 0.000 0.914 267 R CA 0.206 56.252 56.100 -0.091 0.000 0.646 267 R CB -3.155 27.068 30.300 -0.128 0.000 1.330 267 R HN -0.078 nan 8.270 nan 0.000 0.465 268 V N 0.312 120.175 119.914 -0.085 0.000 2.334 268 V HA 0.825 4.943 4.120 -0.003 0.000 0.281 268 V C 1.132 177.320 176.094 0.157 0.000 1.016 268 V CA 0.029 62.273 62.300 -0.094 0.000 0.832 268 V CB 1.968 33.692 31.823 -0.165 0.000 0.999 268 V HN 0.629 nan 8.190 nan 0.000 0.439 269 G N 3.208 112.118 108.800 0.183 0.000 2.725 269 G HA2 0.595 4.553 3.960 -0.003 0.000 0.288 269 G HA3 0.595 4.553 3.960 -0.003 0.000 0.288 269 G C -1.660 173.516 174.900 0.460 0.000 1.399 269 G CA -0.688 44.603 45.100 0.318 0.000 0.859 269 G HN 0.562 nan 8.290 nan 0.000 0.479 270 N N -0.434 118.485 118.700 0.364 0.000 2.369 270 N HA 0.280 5.018 4.740 -0.003 0.000 0.287 270 N C -1.882 173.723 175.510 0.158 0.000 1.067 270 N CA -0.594 52.634 53.050 0.298 0.000 0.888 270 N CB 2.592 41.214 38.487 0.225 0.000 1.616 270 N HN 0.367 nan 8.380 nan 0.000 0.482 271 L N 3.260 124.548 121.223 0.108 0.000 2.255 271 L HA 0.413 4.751 4.340 -0.003 0.000 0.289 271 L C -0.214 176.637 176.870 -0.031 0.000 1.046 271 L CA 0.199 55.051 54.840 0.020 0.000 0.816 271 L CB 0.757 42.766 42.059 -0.083 0.000 1.197 271 L HN 0.434 nan 8.230 nan 0.000 0.427 272 T N 4.444 119.003 114.554 0.008 0.000 2.856 272 T HA 0.506 4.854 4.350 -0.003 0.000 0.292 272 T C -0.439 174.250 174.700 -0.018 0.000 0.980 272 T CA -0.255 61.837 62.100 -0.012 0.000 1.091 272 T CB 0.964 69.844 68.868 0.020 0.000 0.936 272 T HN 0.352 nan 8.240 nan 0.000 0.503 273 V N 4.171 124.049 119.914 -0.059 0.000 2.444 273 V HA 0.433 4.551 4.120 -0.003 0.000 0.294 273 V C -0.210 175.781 176.094 -0.172 0.000 1.022 273 V CA -0.843 61.449 62.300 -0.013 0.000 0.850 273 V CB 1.790 33.621 31.823 0.013 0.000 0.992 273 V HN 0.640 nan 8.190 nan 0.000 0.426 274 V N 4.236 123.925 119.914 -0.375 0.000 2.370 274 V HA 0.817 4.935 4.120 -0.003 0.000 0.283 274 V C 0.725 176.674 176.094 -0.240 0.000 1.023 274 V CA 0.045 62.081 62.300 -0.439 0.000 0.857 274 V CB 1.479 32.737 31.823 -0.941 0.000 0.985 274 V HN 0.993 nan 8.190 nan 0.000 0.443 275 G N 3.141 111.870 108.800 -0.119 0.000 2.644 275 G HA2 0.460 4.418 3.960 -0.003 0.000 0.307 275 G HA3 0.460 4.418 3.960 -0.003 0.000 0.307 275 G C 0.377 175.265 174.900 -0.019 0.000 1.250 275 G CA -0.471 44.607 45.100 -0.036 0.000 0.996 275 G HN 0.460 nan 8.290 nan 0.000 0.489 276 K N -0.695 119.712 120.400 0.012 0.000 2.155 276 K HA 0.064 4.381 4.320 -0.003 0.000 0.203 276 K C 0.857 177.456 176.600 -0.003 0.000 1.052 276 K CA 1.070 57.362 56.287 0.009 0.000 0.948 276 K CB 0.115 32.628 32.500 0.022 0.000 0.728 276 K HN 0.695 nan 8.250 nan 0.000 0.448 277 E N -2.097 118.100 120.200 -0.005 0.000 2.445 277 E HA 0.241 4.589 4.350 -0.003 0.000 0.279 277 E C -2.670 173.921 176.600 -0.015 0.000 1.018 277 E CA -1.446 54.948 56.400 -0.010 0.000 0.816 277 E CB 1.055 30.752 29.700 -0.005 0.000 1.356 277 E HN -0.211 nan 8.360 nan 0.000 0.462 278 P HA -0.054 nan 4.420 nan 0.000 0.218 278 P C 1.596 178.884 177.300 -0.021 0.000 1.149 278 P CA 2.589 65.676 63.100 -0.022 0.000 0.817 278 P CB -0.110 31.577 31.700 -0.022 0.000 0.785 279 E N -0.087 120.103 120.200 -0.016 0.000 2.072 279 E HA -0.180 4.167 4.350 -0.003 0.000 0.191 279 E C 2.063 178.654 176.600 -0.014 0.000 0.985 279 E CA 1.784 58.175 56.400 -0.016 0.000 0.801 279 E CB -1.673 28.019 29.700 -0.013 0.000 0.750 279 E HN 0.176 nan 8.360 nan 0.000 0.452 280 S N 0.429 116.127 115.700 -0.004 0.000 2.368 280 S HA -0.187 4.281 4.470 -0.003 0.000 0.226 280 S C 1.997 176.595 174.600 -0.005 0.000 1.044 280 S CA 1.601 59.806 58.200 0.009 0.000 1.062 280 S CB -0.281 62.931 63.200 0.021 0.000 0.931 280 S HN 0.538 nan 8.310 nan 0.000 0.440 281 I N 1.388 121.946 120.570 -0.020 0.000 2.202 281 I HA -0.075 4.093 4.170 -0.003 0.000 0.242 281 I C 2.195 178.285 176.117 -0.044 0.000 1.091 281 I CA 0.968 62.246 61.300 -0.037 0.000 1.368 281 I CB -1.492 36.483 38.000 -0.043 0.000 1.058 281 I HN 0.266 nan 8.210 nan 0.000 0.410 282 L N 0.186 121.386 121.223 -0.038 0.000 2.042 282 L HA -0.244 4.094 4.340 -0.003 0.000 0.210 282 L C 2.532 179.371 176.870 -0.051 0.000 1.076 282 L CA 1.761 56.577 54.840 -0.041 0.000 0.749 282 L CB -1.073 40.966 42.059 -0.034 0.000 0.893 282 L HN 0.433 nan 8.230 nan 0.000 0.432 283 Q N -0.576 119.193 119.800 -0.051 0.000 2.016 283 Q HA -0.155 4.183 4.340 -0.003 0.000 0.200 283 Q C 2.321 178.274 176.000 -0.077 0.000 0.978 283 Q CA 1.561 57.320 55.803 -0.073 0.000 0.833 283 Q CB 0.142 28.842 28.738 -0.064 0.000 0.895 283 Q HN 0.291 nan 8.270 nan 0.000 0.427 284 V N 1.441 121.327 119.914 -0.047 0.000 2.282 284 V HA -0.329 3.789 4.120 -0.003 0.000 0.249 284 V C 2.362 178.381 176.094 -0.125 0.000 1.057 284 V CA 1.785 64.027 62.300 -0.096 0.000 1.032 284 V CB -0.617 31.087 31.823 -0.197 0.000 0.645 284 V HN 0.400 nan 8.190 nan 0.000 0.447 285 L N 0.641 121.803 121.223 -0.101 0.000 2.083 285 L HA -0.166 4.172 4.340 -0.003 0.000 0.209 285 L C 2.743 179.582 176.870 -0.051 0.000 1.083 285 L CA 1.911 56.703 54.840 -0.079 0.000 0.752 285 L CB -0.749 41.273 42.059 -0.061 0.000 0.899 285 L HN 0.590 nan 8.230 nan 0.000 0.433 286 S N -0.986 114.681 115.700 -0.056 0.000 2.402 286 S HA -0.188 4.280 4.470 -0.003 0.000 0.229 286 S C 1.930 176.507 174.600 -0.039 0.000 1.021 286 S CA 0.726 58.896 58.200 -0.049 0.000 0.974 286 S CB -0.144 63.018 63.200 -0.063 0.000 0.800 286 S HN 0.388 nan 8.310 nan 0.000 0.484 287 Q N 0.544 120.313 119.800 -0.051 0.000 2.137 287 Q HA 0.155 4.493 4.340 -0.003 0.000 0.198 287 Q C 2.301 178.396 176.000 0.159 0.000 0.960 287 Q CA 0.917 56.732 55.803 0.019 0.000 0.847 287 Q CB -0.494 28.139 28.738 -0.176 0.000 0.915 287 Q HN 0.536 nan 8.270 nan 0.000 0.448 288 M N 0.696 120.358 119.600 0.104 0.000 2.202 288 M HA -0.153 4.325 4.480 -0.003 0.000 0.262 288 M C 1.761 178.070 176.300 0.015 0.000 1.063 288 M CA 1.308 56.646 55.300 0.063 0.000 1.097 288 M CB -0.815 31.762 32.600 -0.038 0.000 1.382 288 M HN 0.274 nan 8.290 nan 0.000 0.413 289 E N 0.123 120.325 120.200 0.004 0.000 2.085 289 E HA -0.176 4.172 4.350 -0.003 0.000 0.194 289 E C 2.203 178.789 176.600 -0.023 0.000 0.994 289 E CA 1.593 57.984 56.400 -0.016 0.000 0.801 289 E CB -0.014 29.678 29.700 -0.013 0.000 0.743 289 E HN 0.410 nan 8.360 nan 0.000 0.453 290 K N 0.332 120.741 120.400 0.016 0.000 2.057 290 K HA -0.099 4.219 4.320 -0.003 0.000 0.207 290 K C 2.133 178.725 176.600 -0.014 0.000 1.049 290 K CA 1.057 57.357 56.287 0.020 0.000 0.931 290 K CB -0.559 31.993 32.500 0.087 0.000 0.714 290 K HN 0.257 nan 8.250 nan 0.000 0.440 291 I N 0.424 120.997 120.570 0.005 0.000 2.226 291 I HA -0.219 3.948 4.170 -0.003 0.000 0.245 291 I C 2.292 178.274 176.117 -0.224 0.000 1.100 291 I CA 1.100 62.366 61.300 -0.057 0.000 1.374 291 I CB -0.412 37.599 38.000 0.019 0.000 1.057 291 I HN 0.007 nan 8.210 nan 0.000 0.413 292 V N 0.817 120.567 119.914 -0.273 0.000 2.295 292 V HA -0.272 3.846 4.120 -0.003 0.000 0.246 292 V C 2.640 178.481 176.094 -0.422 0.000 1.049 292 V CA 1.874 63.859 62.300 -0.524 0.000 1.024 292 V CB -0.716 30.902 31.823 -0.342 0.000 0.648 292 V HN 0.378 nan 8.190 nan 0.000 0.447 293 R N 1.429 121.801 120.500 -0.213 0.000 2.117 293 R HA -0.152 4.186 4.340 -0.003 0.000 0.243 293 R C 1.927 178.149 176.300 -0.129 0.000 1.143 293 R CA 2.254 58.269 56.100 -0.142 0.000 0.968 293 R CB -0.774 29.473 30.300 -0.088 0.000 0.863 293 R HN 0.718 nan 8.270 nan 0.000 0.444 294 I N -2.914 117.576 120.570 -0.134 0.000 3.793 294 I HA 0.192 4.359 4.170 -0.003 0.000 0.315 294 I C 0.147 176.199 176.117 -0.109 0.000 1.275 294 I CA 0.536 61.780 61.300 -0.094 0.000 1.214 294 I CB 0.238 38.197 38.000 -0.067 0.000 1.018 294 I HN -0.040 nan 8.210 nan 0.000 0.439 295 T N 0.651 115.085 114.554 -0.200 0.000 3.205 295 T HA 0.085 4.433 4.350 -0.003 0.000 0.238 295 T C 0.776 175.469 174.700 -0.012 0.000 0.974 295 T CA 0.896 62.885 62.100 -0.186 0.000 1.246 295 T CB -0.105 68.494 68.868 -0.448 0.000 1.007 295 T HN 0.747 nan 8.240 nan 0.000 0.414 296 W N 0.183 121.491 121.300 0.013 0.000 2.324 296 W HA 0.734 5.391 4.660 -0.005 0.000 0.316 296 W C 0.946 177.464 176.519 -0.002 0.000 0.927 296 W CA -0.109 57.243 57.345 0.011 0.000 1.438 296 W CB -0.101 29.370 29.460 0.018 0.000 1.085 296 W HN 0.303 nan 8.180 nan 0.000 0.532 297 S N 0.996 116.708 115.700 0.020 0.000 1.476 297 S HA -0.320 4.148 4.470 -0.003 0.000 0.242 297 S C 0.123 174.750 174.600 0.044 0.000 0.711 297 S CA 2.207 60.404 58.200 -0.006 0.000 1.268 297 S CB -1.820 61.372 63.200 -0.014 0.000 1.523 297 S HN 0.909 nan 8.310 nan 0.000 0.510 298 N N 0.779 119.624 118.700 0.242 0.000 2.859 298 N HA 0.683 5.421 4.740 -0.003 0.000 0.250 298 N C -3.397 172.316 175.510 0.339 0.000 1.341 298 N CA -1.153 52.058 53.050 0.269 0.000 0.881 298 N CB 1.488 40.037 38.487 0.105 0.000 1.516 298 N HN 0.297 nan 8.380 nan 0.000 0.503 299 P HA 0.471 nan 4.420 nan 0.000 0.283 299 P C -2.725 174.544 177.300 -0.051 0.000 1.271 299 P CA -1.380 61.706 63.100 -0.023 0.000 0.841 299 P CB 0.602 32.279 31.700 -0.038 0.000 1.122 300 P HA 0.164 nan 4.420 nan 0.000 0.274 300 P C 0.043 177.265 177.300 -0.130 0.000 1.231 300 P CA -0.202 62.835 63.100 -0.105 0.000 0.790 300 P CB 0.893 32.510 31.700 -0.138 0.000 0.951 301 A N 1.537 124.306 122.820 -0.085 0.000 1.924 301 A HA -0.101 4.217 4.320 -0.003 0.000 0.211 301 A C 2.283 179.781 177.584 -0.144 0.000 1.198 301 A CA 1.128 53.104 52.037 -0.102 0.000 0.657 301 A CB -1.016 17.961 19.000 -0.037 0.000 0.852 301 A HN 0.552 nan 8.150 nan 0.000 0.454 302 Q N 0.441 120.176 119.800 -0.108 0.000 2.030 302 Q HA -0.091 4.246 4.340 -0.003 0.000 0.204 302 Q C 1.911 177.811 176.000 -0.167 0.000 0.986 302 Q CA 2.618 58.359 55.803 -0.105 0.000 0.843 302 Q CB -1.030 27.670 28.738 -0.064 0.000 0.904 302 Q HN 0.467 nan 8.270 nan 0.000 0.420 303 G N -0.157 108.518 108.800 -0.207 0.000 2.421 303 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.216 303 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.216 303 G C 1.514 176.161 174.900 -0.421 0.000 1.171 303 G CA 1.161 46.098 45.100 -0.272 0.000 0.775 303 G HN 0.567 nan 8.290 nan 0.000 0.543 304 A N 0.759 123.255 122.820 -0.541 0.000 1.908 304 A HA -0.059 4.259 4.320 -0.003 0.000 0.218 304 A C 2.442 179.792 177.584 -0.391 0.000 1.181 304 A CA 1.791 53.359 52.037 -0.782 0.000 0.627 304 A CB -0.425 18.068 19.000 -0.845 0.000 0.818 304 A HN 0.370 nan 8.150 nan 0.000 0.445 305 R N -0.749 119.595 120.500 -0.261 0.000 2.081 305 R HA -0.056 4.282 4.340 -0.003 0.000 0.235 305 R C 1.987 178.186 176.300 -0.169 0.000 1.131 305 R CA 1.581 57.583 56.100 -0.165 0.000 0.960 305 R CB -0.480 29.744 30.300 -0.126 0.000 0.856 305 R HN 0.592 nan 8.270 nan 0.000 0.436 306 I N -0.005 120.442 120.570 -0.206 0.000 2.179 306 I HA -0.268 3.900 4.170 -0.003 0.000 0.242 306 I C 2.182 178.131 176.117 -0.281 0.000 1.088 306 I CA 1.161 62.347 61.300 -0.190 0.000 1.357 306 I CB -0.190 37.708 38.000 -0.170 0.000 1.051 306 I HN -0.028 nan 8.210 nan 0.000 0.409 307 V N 0.847 120.462 119.914 -0.498 0.000 2.307 307 V HA -0.266 3.852 4.120 -0.003 0.000 0.245 307 V C 2.719 178.591 176.094 -0.370 0.000 1.045 307 V CA 1.896 63.727 62.300 -0.782 0.000 1.024 307 V CB -1.121 30.040 31.823 -1.102 0.000 0.651 307 V HN 0.484 nan 8.190 nan 0.000 0.449 308 A N 0.134 122.849 122.820 -0.176 0.000 1.892 308 A HA -0.256 4.062 4.320 -0.003 0.000 0.218 308 A C 2.487 180.018 177.584 -0.090 0.000 1.188 308 A CA 2.588 54.569 52.037 -0.094 0.000 0.631 308 A CB -0.887 18.099 19.000 -0.023 0.000 0.822 308 A HN 0.530 nan 8.150 nan 0.000 0.447 309 S N -0.545 115.103 115.700 -0.087 0.000 2.368 309 S HA -0.138 4.330 4.470 -0.003 0.000 0.225 309 S C 2.041 176.628 174.600 -0.021 0.000 1.030 309 S CA 1.793 59.963 58.200 -0.050 0.000 0.999 309 S CB -0.645 62.526 63.200 -0.048 0.000 0.844 309 S HN 0.712 nan 8.310 nan 0.000 0.459 310 T N 2.867 117.405 114.554 -0.026 0.000 2.674 310 T HA 0.058 4.406 4.350 -0.003 0.000 0.265 310 T C 1.728 176.484 174.700 0.094 0.000 1.039 310 T CA 1.038 63.161 62.100 0.038 0.000 1.150 310 T CB -0.410 68.502 68.868 0.074 0.000 0.864 310 T HN 0.259 nan 8.240 nan 0.000 0.427 311 L N 1.566 122.813 121.223 0.040 0.000 2.313 311 L HA 0.024 4.362 4.340 -0.003 0.000 0.214 311 L C 2.593 179.481 176.870 0.029 0.000 1.119 311 L CA 0.933 55.852 54.840 0.131 0.000 0.809 311 L CB -0.511 41.553 42.059 0.008 0.000 0.933 311 L HN 0.343 nan 8.230 nan 0.000 0.449 312 S N -1.594 114.098 115.700 -0.013 0.000 2.593 312 S HA -0.020 4.448 4.470 -0.003 0.000 0.217 312 S C 0.780 175.370 174.600 -0.017 0.000 0.966 312 S CA -0.300 57.877 58.200 -0.039 0.000 0.914 312 S CB -0.274 62.899 63.200 -0.046 0.000 0.776 312 S HN 0.394 nan 8.310 nan 0.000 0.523 313 N N 1.570 120.288 118.700 0.030 0.000 2.443 313 N HA 0.350 5.088 4.740 -0.003 0.000 0.269 313 N C -2.575 172.994 175.510 0.097 0.000 0.985 313 N CA -1.928 51.150 53.050 0.046 0.000 0.921 313 N CB 2.145 40.661 38.487 0.049 0.000 1.195 313 N HN -0.121 nan 8.380 nan 0.000 0.492 314 P HA -0.125 nan 4.420 nan 0.000 0.216 314 P C 1.154 178.560 177.300 0.176 0.000 1.150 314 P CA 0.969 64.130 63.100 0.102 0.000 0.837 314 P CB 0.444 32.171 31.700 0.046 0.000 0.786 315 E N -0.441 119.832 120.200 0.121 0.000 2.028 315 E HA -0.118 4.229 4.350 -0.003 0.000 0.191 315 E C 2.093 178.771 176.600 0.130 0.000 0.988 315 E CA 0.981 57.447 56.400 0.109 0.000 0.799 315 E CB -1.300 28.441 29.700 0.069 0.000 0.755 315 E HN 0.182 nan 8.360 nan 0.000 0.447 316 L N -0.588 120.712 121.223 0.129 0.000 2.079 316 L HA -0.059 4.279 4.340 -0.003 0.000 0.210 316 L C 2.499 179.490 176.870 0.202 0.000 1.081 316 L CA 1.859 56.777 54.840 0.130 0.000 0.752 316 L CB -0.611 41.508 42.059 0.099 0.000 0.896 316 L HN 0.310 nan 8.230 nan 0.000 0.433 317 F N 1.156 121.177 119.950 0.119 0.000 2.120 317 F HA -0.305 4.219 4.527 -0.004 0.000 0.300 317 F C 2.608 178.541 175.800 0.220 0.000 1.095 317 F CA 2.178 60.301 58.000 0.205 0.000 1.249 317 F CB -0.058 39.032 39.000 0.151 0.000 0.995 317 F HN 0.118 nan 8.300 nan 0.000 0.480 318 E N 0.003 120.318 120.200 0.192 0.000 2.072 318 E HA -0.260 4.088 4.350 -0.003 0.000 0.191 318 E C 2.234 178.808 176.600 -0.043 0.000 0.985 318 E CA 1.302 57.730 56.400 0.046 0.000 0.801 318 E CB -0.378 29.392 29.700 0.115 0.000 0.750 318 E HN 0.653 nan 8.360 nan 0.000 0.452 319 E N -0.293 119.918 120.200 0.018 0.000 2.077 319 E HA -0.213 4.135 4.350 -0.003 0.000 0.193 319 E C 1.717 178.290 176.600 -0.046 0.000 0.989 319 E CA 1.275 57.673 56.400 -0.003 0.000 0.800 319 E CB -0.306 29.413 29.700 0.032 0.000 0.746 319 E HN 0.438 nan 8.360 nan 0.000 0.452 320 W N 1.776 122.932 121.300 -0.240 0.000 2.335 320 W HA -0.237 4.422 4.660 -0.002 0.000 0.311 320 W C 2.421 178.696 176.519 -0.407 0.000 1.213 320 W CA 3.134 60.260 57.345 -0.365 0.000 1.274 320 W CB -0.861 28.338 29.460 -0.436 0.000 1.148 320 W HN 0.146 nan 8.180 nan 0.000 0.498 321 T N -2.394 111.745 114.554 -0.691 0.000 2.881 321 T HA -0.045 4.303 4.350 -0.003 0.000 0.270 321 T C 1.986 176.346 174.700 -0.566 0.000 1.068 321 T CA 1.469 63.043 62.100 -0.876 0.000 1.131 321 T CB -1.232 67.243 68.868 -0.655 0.000 0.871 321 T HN 0.242 nan 8.240 nan 0.000 0.479 322 G N 1.582 110.168 108.800 -0.356 0.000 2.402 322 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.216 322 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.216 322 G C 1.565 176.345 174.900 -0.201 0.000 1.162 322 G CA 0.673 45.642 45.100 -0.219 0.000 0.777 322 G HN 0.654 nan 8.290 nan 0.000 0.539 323 N N 0.069 118.633 118.700 -0.226 0.000 2.120 323 N HA -0.115 4.623 4.740 -0.003 0.000 0.188 323 N C 2.182 177.556 175.510 -0.227 0.000 1.024 323 N CA 1.039 54.017 53.050 -0.120 0.000 0.852 323 N CB -0.111 38.232 38.487 -0.241 0.000 1.003 323 N HN 0.168 nan 8.380 nan 0.000 0.424 324 V N 1.477 121.047 119.914 -0.573 0.000 2.343 324 V HA -0.229 3.889 4.120 -0.003 0.000 0.247 324 V C 2.306 178.097 176.094 -0.504 0.000 1.051 324 V CA 1.522 63.426 62.300 -0.661 0.000 1.036 324 V CB -0.434 30.813 31.823 -0.959 0.000 0.654 324 V HN 0.222 nan 8.190 nan 0.000 0.451 325 K N 0.521 120.680 120.400 -0.402 0.000 2.103 325 K HA -0.165 4.153 4.320 -0.003 0.000 0.207 325 K C 2.113 178.592 176.600 -0.202 0.000 1.048 325 K CA 2.149 58.271 56.287 -0.275 0.000 0.930 325 K CB -0.943 31.427 32.500 -0.217 0.000 0.716 325 K HN 0.495 nan 8.250 nan 0.000 0.444 326 T N 0.909 115.364 114.554 -0.166 0.000 2.720 326 T HA -0.140 4.208 4.350 -0.003 0.000 0.268 326 T C 1.802 176.391 174.700 -0.185 0.000 1.037 326 T CA 1.805 63.823 62.100 -0.136 0.000 1.144 326 T CB -0.150 68.673 68.868 -0.074 0.000 0.864 326 T HN 0.224 nan 8.240 nan 0.000 0.444 327 M N 0.748 120.189 119.600 -0.266 0.000 2.099 327 M HA 0.015 4.493 4.480 -0.003 0.000 0.262 327 M C 2.899 179.153 176.300 -0.076 0.000 1.067 327 M CA 1.491 56.584 55.300 -0.345 0.000 1.124 327 M CB -0.497 31.766 32.600 -0.560 0.000 1.353 327 M HN 0.288 nan 8.290 nan 0.000 0.410 328 A N 0.493 123.203 122.820 -0.182 0.000 1.902 328 A HA -0.192 4.126 4.320 -0.003 0.000 0.217 328 A C 1.713 179.285 177.584 -0.020 0.000 1.181 328 A CA 2.034 54.021 52.037 -0.083 0.000 0.623 328 A CB -0.728 18.164 19.000 -0.180 0.000 0.818 328 A HN 0.390 nan 8.150 nan 0.000 0.443 329 D N -0.902 119.467 120.400 -0.052 0.000 2.144 329 D HA -0.115 4.522 4.640 -0.003 0.000 0.200 329 D C 2.088 178.389 176.300 0.003 0.000 0.978 329 D CA 1.031 55.014 54.000 -0.029 0.000 0.833 329 D CB -0.314 40.456 40.800 -0.050 0.000 0.961 329 D HN 0.461 nan 8.370 nan 0.000 0.470 330 R N 0.242 120.758 120.500 0.027 0.000 2.096 330 R HA -0.043 4.295 4.340 -0.003 0.000 0.235 330 R C 2.397 178.740 176.300 0.073 0.000 1.127 330 R CA 0.643 56.777 56.100 0.057 0.000 0.968 330 R CB -0.197 30.173 30.300 0.117 0.000 0.861 330 R HN 0.172 nan 8.270 nan 0.000 0.440 331 I N 0.748 121.388 120.570 0.117 0.000 2.179 331 I HA -0.329 3.839 4.170 -0.003 0.000 0.242 331 I C 2.214 178.363 176.117 0.054 0.000 1.088 331 I CA 1.200 62.559 61.300 0.098 0.000 1.357 331 I CB -0.225 37.861 38.000 0.143 0.000 1.051 331 I HN 0.230 nan 8.210 nan 0.000 0.409 332 L N 0.068 121.316 121.223 0.043 0.000 2.043 332 L HA -0.260 4.078 4.340 -0.003 0.000 0.212 332 L C 2.641 179.522 176.870 0.018 0.000 1.075 332 L CA 1.843 56.699 54.840 0.028 0.000 0.752 332 L CB -0.958 41.111 42.059 0.017 0.000 0.891 332 L HN 0.314 nan 8.230 nan 0.000 0.432 333 T N -0.765 113.796 114.554 0.011 0.000 2.746 333 T HA -0.163 4.184 4.350 -0.003 0.000 0.267 333 T C 1.948 176.647 174.700 -0.001 0.000 1.039 333 T CA 1.129 63.230 62.100 0.001 0.000 1.142 333 T CB -0.077 68.787 68.868 -0.006 0.000 0.866 333 T HN 0.137 nan 8.240 nan 0.000 0.444 334 M N 0.958 120.559 119.600 0.002 0.000 2.175 334 M HA 0.058 4.536 4.480 -0.003 0.000 0.264 334 M C 2.271 178.569 176.300 -0.003 0.000 1.063 334 M CA 1.283 56.579 55.300 -0.006 0.000 1.119 334 M CB -0.968 31.626 32.600 -0.009 0.000 1.377 334 M HN 0.212 nan 8.290 nan 0.000 0.415 335 R N -0.777 119.728 120.500 0.009 0.000 2.081 335 R HA -0.103 4.235 4.340 -0.003 0.000 0.235 335 R C 2.583 178.887 176.300 0.007 0.000 1.131 335 R CA 1.733 57.841 56.100 0.013 0.000 0.960 335 R CB -0.513 29.804 30.300 0.028 0.000 0.856 335 R HN 0.294 nan 8.270 nan 0.000 0.436 336 S N 0.506 116.210 115.700 0.007 0.000 2.368 336 S HA -0.123 4.345 4.470 -0.003 0.000 0.224 336 S C 1.767 176.363 174.600 -0.006 0.000 1.029 336 S CA 1.078 59.282 58.200 0.005 0.000 0.988 336 S CB 0.006 63.210 63.200 0.006 0.000 0.838 336 S HN 0.233 nan 8.310 nan 0.000 0.462 337 E N 0.734 120.926 120.200 -0.013 0.000 2.106 337 E HA -0.108 4.240 4.350 -0.003 0.000 0.192 337 E C 2.074 178.650 176.600 -0.040 0.000 0.984 337 E CA 0.808 57.193 56.400 -0.024 0.000 0.806 337 E CB -0.480 29.205 29.700 -0.024 0.000 0.750 337 E HN 0.444 nan 8.360 nan 0.000 0.458 338 L N 1.540 122.738 121.223 -0.043 0.000 2.027 338 L HA -0.114 4.224 4.340 -0.003 0.000 0.206 338 L C 2.550 179.359 176.870 -0.101 0.000 1.074 338 L CA 1.748 56.544 54.840 -0.074 0.000 0.745 338 L CB -0.532 41.488 42.059 -0.065 0.000 0.898 338 L HN -0.054 nan 8.230 nan 0.000 0.433 339 R N -0.338 120.130 120.500 -0.054 0.000 2.083 339 R HA -0.201 4.137 4.340 -0.003 0.000 0.237 339 R C 2.135 178.414 176.300 -0.035 0.000 1.137 339 R CA 1.728 57.815 56.100 -0.023 0.000 0.951 339 R CB -0.527 29.797 30.300 0.041 0.000 0.851 339 R HN 0.494 nan 8.270 nan 0.000 0.434 340 A N 0.978 123.782 122.820 -0.027 0.000 1.908 340 A HA -0.186 4.132 4.320 -0.003 0.000 0.218 340 A C 2.233 179.784 177.584 -0.056 0.000 1.181 340 A CA 1.705 53.726 52.037 -0.026 0.000 0.627 340 A CB -0.453 18.535 19.000 -0.019 0.000 0.818 340 A HN 0.413 nan 8.150 nan 0.000 0.445 341 R N -0.690 119.760 120.500 -0.083 0.000 2.090 341 R HA 0.083 4.420 4.340 -0.003 0.000 0.228 341 R C 2.067 178.275 176.300 -0.155 0.000 1.110 341 R CA 1.155 57.192 56.100 -0.104 0.000 0.973 341 R CB -0.426 29.814 30.300 -0.099 0.000 0.869 341 R HN 0.510 nan 8.270 nan 0.000 0.440 342 L N 0.604 121.691 121.223 -0.227 0.000 2.046 342 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 342 L C 2.146 178.890 176.870 -0.210 0.000 1.077 342 L CA 1.523 56.151 54.840 -0.353 0.000 0.747 342 L CB -0.405 41.186 42.059 -0.780 0.000 0.896 342 L HN 0.240 nan 8.230 nan 0.000 0.432 343 E N 0.108 120.245 120.200 -0.104 0.000 2.077 343 E HA -0.214 4.134 4.350 -0.003 0.000 0.193 343 E C 2.285 178.879 176.600 -0.010 0.000 0.989 343 E CA 1.161 57.568 56.400 0.012 0.000 0.800 343 E CB -0.184 29.551 29.700 0.058 0.000 0.746 343 E HN 0.502 nan 8.360 nan 0.000 0.452 344 A N 0.883 123.676 122.820 -0.045 0.000 1.969 344 A HA -0.100 4.218 4.320 -0.003 0.000 0.218 344 A C 2.061 179.595 177.584 -0.083 0.000 1.169 344 A CA 0.822 52.829 52.037 -0.050 0.000 0.635 344 A CB -0.405 18.562 19.000 -0.054 0.000 0.810 344 A HN 0.148 nan 8.150 nan 0.000 0.445 345 L N -1.289 119.850 121.223 -0.140 0.000 2.551 345 L HA -0.041 4.297 4.340 -0.003 0.000 0.228 345 L C 0.282 177.057 176.870 -0.158 0.000 1.153 345 L CA 0.327 55.007 54.840 -0.267 0.000 0.851 345 L CB -0.070 41.712 42.059 -0.462 0.000 0.959 345 L HN 0.258 nan 8.230 nan 0.000 0.451 346 K N -0.580 119.816 120.400 -0.006 0.000 3.167 346 K HA -0.126 4.192 4.320 -0.003 0.000 0.272 346 K C 0.040 176.772 176.600 0.221 0.000 1.137 346 K CA 0.514 56.860 56.287 0.098 0.000 0.800 346 K CB -2.908 29.642 32.500 0.082 0.000 1.253 346 K HN 0.225 nan 8.250 nan 0.000 0.497 347 T N 2.801 117.506 114.554 0.252 0.000 2.867 347 T HA 0.196 4.544 4.350 -0.003 0.000 0.297 347 T C -1.906 173.020 174.700 0.376 0.000 0.989 347 T CA -0.645 61.656 62.100 0.334 0.000 1.159 347 T CB 0.629 69.589 68.868 0.154 0.000 0.928 347 T HN 0.027 nan 8.240 nan 0.000 0.538 348 P HA 0.378 nan 4.420 nan 0.000 0.268 348 P C 0.700 178.151 177.300 0.252 0.000 1.208 348 P CA 0.580 63.801 63.100 0.202 0.000 0.777 348 P CB 0.210 31.963 31.700 0.089 0.000 0.875 349 G N 0.667 109.512 108.800 0.075 0.000 2.728 349 G HA2 -0.001 3.957 3.960 -0.003 0.000 0.294 349 G HA3 -0.001 3.957 3.960 -0.003 0.000 0.294 349 G C -0.493 174.291 174.900 -0.194 0.000 1.342 349 G CA -0.303 44.722 45.100 -0.124 0.000 0.866 349 G HN 0.769 nan 8.290 nan 0.000 0.534 350 T N -3.161 111.157 114.554 -0.393 0.000 2.929 350 T HA 0.638 4.985 4.350 -0.003 0.000 0.284 350 T C 0.116 174.455 174.700 -0.603 0.000 1.014 350 T CA 0.107 62.040 62.100 -0.279 0.000 1.051 350 T CB 2.045 70.842 68.868 -0.119 0.000 1.028 350 T HN 0.922 nan 8.240 nan 0.000 0.485 351 W N 0.530 121.918 121.300 0.148 0.000 2.252 351 W HA 0.263 4.921 4.660 -0.004 0.000 0.338 351 W C 1.597 178.110 176.519 -0.010 0.000 0.914 351 W CA -0.740 56.650 57.345 0.074 0.000 1.754 351 W CB 0.220 29.681 29.460 0.002 0.000 1.135 351 W HN 0.787 nan 8.180 nan 0.000 0.531 352 N N 0.979 119.799 118.700 0.199 0.000 2.381 352 N HA -0.228 4.510 4.740 -0.003 0.000 0.182 352 N C 1.523 177.119 175.510 0.145 0.000 1.025 352 N CA 1.655 54.789 53.050 0.139 0.000 0.888 352 N CB -0.909 37.643 38.487 0.109 0.000 0.965 352 N HN 0.401 nan 8.380 nan 0.000 0.438 353 H N 1.237 120.371 119.070 0.106 0.000 2.456 353 H HA 0.007 4.561 4.556 -0.004 0.000 0.296 353 H C 1.780 177.216 175.328 0.179 0.000 1.079 353 H CA 0.429 56.562 56.048 0.141 0.000 1.322 353 H CB -0.270 29.587 29.762 0.158 0.000 1.388 353 H HN 0.093 nan 8.280 nan 0.000 0.538 354 I N 2.325 122.748 120.570 -0.244 0.000 2.226 354 I HA -0.190 3.978 4.170 -0.003 0.000 0.245 354 I C 2.462 178.596 176.117 0.028 0.000 1.100 354 I CA 1.901 63.148 61.300 -0.089 0.000 1.374 354 I CB -1.373 36.596 38.000 -0.053 0.000 1.057 354 I HN 0.475 nan 8.210 nan 0.000 0.413 355 T N -3.052 111.528 114.554 0.044 0.000 3.051 355 T HA 0.032 4.380 4.350 -0.003 0.000 0.255 355 T C 1.398 176.141 174.700 0.073 0.000 1.085 355 T CA 0.229 62.362 62.100 0.056 0.000 1.109 355 T CB -0.053 68.844 68.868 0.048 0.000 0.921 355 T HN 0.108 nan 8.240 nan 0.000 0.488 356 D N 1.780 122.238 120.400 0.096 0.000 2.144 356 D HA 0.014 4.652 4.640 -0.003 0.000 0.200 356 D C 1.103 177.474 176.300 0.119 0.000 0.978 356 D CA 0.837 54.900 54.000 0.105 0.000 0.833 356 D CB -0.211 40.665 40.800 0.128 0.000 0.961 356 D HN 0.560 nan 8.370 nan 0.000 0.470 357 Q N 0.110 119.997 119.800 0.144 0.000 2.417 357 Q HA 0.383 4.721 4.340 -0.003 0.000 0.241 357 Q C 0.465 176.533 176.000 0.114 0.000 1.008 357 Q CA 0.016 55.909 55.803 0.150 0.000 0.901 357 Q CB 1.550 30.398 28.738 0.183 0.000 1.259 357 Q HN 0.271 nan 8.270 nan 0.000 0.489 358 I N -3.257 117.381 120.570 0.113 0.000 3.145 358 I HA 0.890 5.058 4.170 -0.003 0.000 0.313 358 I C 0.260 176.421 176.117 0.073 0.000 1.122 358 I CA -0.579 60.778 61.300 0.096 0.000 0.987 358 I CB 1.779 39.844 38.000 0.107 0.000 1.236 358 I HN 0.765 nan 8.210 nan 0.000 0.453 359 G N 2.312 111.150 108.800 0.062 0.000 2.484 359 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.225 359 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.225 359 G C -0.016 174.801 174.900 -0.139 0.000 1.250 359 G CA 0.285 45.372 45.100 -0.022 0.000 0.926 359 G HN 0.854 nan 8.290 nan 0.000 0.581 360 M N -0.556 118.741 119.600 -0.506 0.000 2.501 360 M HA 0.437 4.915 4.480 -0.003 0.000 0.261 360 M C 0.036 175.951 176.300 -0.642 0.000 1.129 360 M CA 0.637 55.517 55.300 -0.699 0.000 1.126 360 M CB 0.165 32.013 32.600 -1.253 0.000 1.359 360 M HN 0.296 nan 8.290 nan 0.000 0.471 361 F N -1.140 118.745 119.950 -0.108 0.000 2.523 361 F HA 0.491 5.016 4.527 -0.004 0.000 0.329 361 F C 0.193 176.002 175.800 0.015 0.000 1.061 361 F CA -1.182 56.792 58.000 -0.043 0.000 0.967 361 F CB 1.493 40.452 39.000 -0.068 0.000 1.218 361 F HN -0.308 nan 8.300 nan 0.000 0.480 362 S N 1.273 117.132 115.700 0.264 0.000 2.502 362 S HA 0.521 4.989 4.470 -0.003 0.000 0.304 362 S C -1.361 173.404 174.600 0.275 0.000 1.097 362 S CA -0.411 57.925 58.200 0.226 0.000 1.045 362 S CB 0.316 63.611 63.200 0.158 0.000 1.019 362 S HN 0.415 nan 8.310 nan 0.000 0.481 363 F N 4.920 124.900 119.950 0.050 0.000 2.377 363 F HA 0.277 4.802 4.527 -0.003 0.000 0.360 363 F C 1.851 177.751 175.800 0.168 0.000 1.147 363 F CA -0.613 57.366 58.000 -0.035 0.000 1.170 363 F CB 0.558 39.346 39.000 -0.352 0.000 1.339 363 F HN 0.786 nan 8.300 nan 0.000 0.552 364 T N 0.215 114.834 114.554 0.108 0.000 2.995 364 T HA 0.141 4.488 4.350 -0.003 0.000 0.269 364 T C 1.793 176.665 174.700 0.287 0.000 1.091 364 T CA 0.814 63.102 62.100 0.312 0.000 1.128 364 T CB -0.340 68.676 68.868 0.247 0.000 0.891 364 T HN 1.003 nan 8.240 nan 0.000 0.492 365 G N 1.150 109.925 108.800 -0.042 0.000 2.176 365 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.253 365 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.253 365 G C 0.023 174.894 174.900 -0.049 0.000 0.979 365 G CA 0.088 45.139 45.100 -0.081 0.000 0.641 365 G HN 0.651 nan 8.290 nan 0.000 0.530 366 L N 1.592 122.816 121.223 0.003 0.000 2.485 366 L HA 0.276 4.614 4.340 -0.003 0.000 0.275 366 L C 1.114 177.957 176.870 -0.045 0.000 1.207 366 L CA -0.123 54.727 54.840 0.016 0.000 0.855 366 L CB 0.222 42.306 42.059 0.042 0.000 1.114 366 L HN 0.570 nan 8.230 nan 0.000 0.485 367 N N 3.121 121.803 118.700 -0.030 0.000 2.408 367 N HA 0.254 4.991 4.740 -0.003 0.000 0.260 367 N C -2.241 173.250 175.510 -0.033 0.000 1.242 367 N CA -1.823 51.205 53.050 -0.038 0.000 0.959 367 N CB 0.064 38.532 38.487 -0.032 0.000 1.201 367 N HN 0.155 nan 8.380 nan 0.000 0.511 368 P HA -0.075 nan 4.420 nan 0.000 0.220 368 P C 1.118 178.408 177.300 -0.017 0.000 1.148 368 P CA 2.393 65.479 63.100 -0.024 0.000 0.803 368 P CB -0.107 31.581 31.700 -0.019 0.000 0.782 369 K N 0.009 120.397 120.400 -0.020 0.000 2.155 369 K HA -0.116 4.202 4.320 -0.003 0.000 0.203 369 K C 2.018 178.623 176.600 0.008 0.000 1.052 369 K CA 1.333 57.612 56.287 -0.014 0.000 0.948 369 K CB -1.499 30.980 32.500 -0.034 0.000 0.728 369 K HN 0.274 nan 8.250 nan 0.000 0.448 370 Q N -0.164 119.635 119.800 -0.001 0.000 2.123 370 Q HA -0.017 4.321 4.340 -0.003 0.000 0.199 370 Q C 2.240 178.276 176.000 0.060 0.000 0.966 370 Q CA 1.229 57.047 55.803 0.024 0.000 0.845 370 Q CB -0.102 28.638 28.738 0.002 0.000 0.907 370 Q HN 0.354 nan 8.270 nan 0.000 0.439 371 V N 1.285 121.208 119.914 0.016 0.000 2.358 371 V HA -0.278 3.840 4.120 -0.003 0.000 0.246 371 V C 2.226 178.304 176.094 -0.026 0.000 1.047 371 V CA 2.113 64.409 62.300 -0.008 0.000 1.035 371 V CB -0.561 31.247 31.823 -0.024 0.000 0.658 371 V HN 0.443 nan 8.190 nan 0.000 0.452 372 E N -0.407 119.786 120.200 -0.012 0.000 2.085 372 E HA -0.316 4.032 4.350 -0.003 0.000 0.194 372 E C 2.218 178.798 176.600 -0.034 0.000 0.994 372 E CA 2.028 58.410 56.400 -0.030 0.000 0.801 372 E CB -0.373 29.322 29.700 -0.009 0.000 0.743 372 E HN 0.697 nan 8.360 nan 0.000 0.453 373 Y N 1.274 121.514 120.300 -0.100 0.000 2.097 373 Y HA -0.235 4.313 4.550 -0.003 0.000 0.282 373 Y C 2.044 177.861 175.900 -0.138 0.000 1.152 373 Y CA 2.005 60.041 58.100 -0.107 0.000 1.136 373 Y CB -0.416 37.992 38.460 -0.087 0.000 0.975 373 Y HN 0.033 nan 8.280 nan 0.000 0.498 374 L N -0.912 120.225 121.223 -0.142 0.000 2.013 374 L HA -0.276 4.061 4.340 -0.003 0.000 0.212 374 L C 2.372 179.032 176.870 -0.349 0.000 1.073 374 L CA 1.501 56.188 54.840 -0.255 0.000 0.753 374 L CB -0.895 41.108 42.059 -0.095 0.000 0.890 374 L HN 0.180 nan 8.230 nan 0.000 0.432 375 V N 0.017 119.734 119.914 -0.328 0.000 2.270 375 V HA -0.241 3.877 4.120 -0.003 0.000 0.245 375 V C 2.105 177.858 176.094 -0.569 0.000 1.043 375 V CA 2.018 64.018 62.300 -0.499 0.000 1.014 375 V CB -0.597 30.999 31.823 -0.378 0.000 0.645 375 V HN 0.503 nan 8.190 nan 0.000 0.447 376 N N -0.452 117.995 118.700 -0.422 0.000 2.336 376 N HA -0.055 4.683 4.740 -0.003 0.000 0.177 376 N C 1.774 176.984 175.510 -0.500 0.000 1.018 376 N CA 0.825 53.638 53.050 -0.395 0.000 0.878 376 N CB -0.081 38.282 38.487 -0.206 0.000 0.997 376 N HN 0.475 nan 8.380 nan 0.000 0.433 377 E N 0.695 120.590 120.200 -0.508 0.000 2.216 377 E HA 0.072 4.420 4.350 -0.003 0.000 0.192 377 E C 1.019 177.360 176.600 -0.431 0.000 0.973 377 E CA 0.725 56.842 56.400 -0.472 0.000 0.851 377 E CB 0.257 29.591 29.700 -0.609 0.000 0.804 377 E HN 0.207 nan 8.360 nan 0.000 0.477 378 K N -0.190 119.917 120.400 -0.489 0.000 2.373 378 K HA 0.117 4.435 4.320 -0.003 0.000 0.200 378 K C -0.196 176.460 176.600 0.094 0.000 1.054 378 K CA -0.137 56.054 56.287 -0.158 0.000 1.065 378 K CB 0.488 32.790 32.500 -0.330 0.000 0.886 378 K HN 0.176 nan 8.250 nan 0.000 0.546 379 H N 0.041 119.059 119.070 -0.086 0.000 2.862 379 H HA -0.153 4.401 4.556 -0.004 0.000 0.290 379 H C -0.322 175.072 175.328 0.110 0.000 1.211 379 H CA 0.619 56.659 56.048 -0.013 0.000 1.140 379 H CB -2.096 27.750 29.762 0.141 0.000 1.341 379 H HN 0.164 nan 8.280 nan 0.000 0.392 380 I N 1.451 122.016 120.570 -0.009 0.000 2.328 380 I HA 0.145 4.312 4.170 -0.003 0.000 0.287 380 I C 0.079 176.151 176.117 -0.075 0.000 1.012 380 I CA -0.531 60.818 61.300 0.081 0.000 1.195 380 I CB 0.565 38.575 38.000 0.017 0.000 1.350 380 I HN -0.041 nan 8.210 nan 0.000 0.464 381 Y N 7.609 127.962 120.300 0.088 0.000 2.350 381 Y HA 0.577 5.125 4.550 -0.003 0.000 0.340 381 Y C 0.251 176.161 175.900 0.016 0.000 1.006 381 Y CA -0.508 57.628 58.100 0.060 0.000 1.166 381 Y CB 0.889 39.408 38.460 0.098 0.000 1.168 381 Y HN 0.398 nan 8.280 nan 0.000 0.502 382 L N 0.631 121.908 121.223 0.089 0.000 2.502 382 L HA 0.719 5.057 4.340 -0.003 0.000 0.253 382 L C -1.529 175.365 176.870 0.040 0.000 1.070 382 L CA -1.414 53.463 54.840 0.061 0.000 0.871 382 L CB 1.685 43.763 42.059 0.033 0.000 1.487 382 L HN 0.314 nan 8.230 nan 0.000 0.408 383 L N 0.742 121.977 121.223 0.019 0.000 2.395 383 L HA 0.339 4.677 4.340 -0.003 0.000 0.269 383 L C -1.506 175.354 176.870 -0.016 0.000 1.133 383 L CA -1.507 53.334 54.840 0.001 0.000 0.812 383 L CB 0.913 42.963 42.059 -0.016 0.000 1.125 383 L HN 0.507 nan 8.230 nan 0.000 0.452 384 P HA -0.185 nan 4.420 nan 0.000 0.218 384 P C 1.474 178.748 177.300 -0.043 0.000 1.146 384 P CA 1.226 64.311 63.100 -0.024 0.000 0.813 384 P CB 0.113 31.805 31.700 -0.014 0.000 0.778 385 S N -1.760 113.915 115.700 -0.043 0.000 2.474 385 S HA 0.049 4.517 4.470 -0.003 0.000 0.235 385 S C 1.777 176.217 174.600 -0.267 0.000 0.997 385 S CA 1.014 59.161 58.200 -0.088 0.000 0.949 385 S CB -1.412 61.821 63.200 0.055 0.000 0.766 385 S HN 0.315 nan 8.310 nan 0.000 0.517 386 G N 0.997 109.692 108.800 -0.174 0.000 2.175 386 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.244 386 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.244 386 G C 0.093 174.910 174.900 -0.138 0.000 0.982 386 G CA 0.020 45.011 45.100 -0.181 0.000 0.641 386 G HN 0.700 nan 8.290 nan 0.000 0.527 387 R N 0.967 121.425 120.500 -0.070 0.000 2.489 387 R HA 0.493 4.831 4.340 -0.003 0.000 0.287 387 R C 0.854 177.198 176.300 0.072 0.000 1.053 387 R CA 0.167 56.308 56.100 0.069 0.000 1.036 387 R CB -0.017 30.315 30.300 0.054 0.000 0.966 387 R HN 0.653 nan 8.270 nan 0.000 0.432 388 I N 0.865 121.517 120.570 0.137 0.000 2.693 388 I HA 0.388 4.556 4.170 -0.003 0.000 0.303 388 I C -0.634 175.646 176.117 0.272 0.000 1.025 388 I CA -1.249 60.141 61.300 0.150 0.000 1.086 388 I CB 1.941 39.999 38.000 0.097 0.000 1.268 388 I HN 0.422 nan 8.210 nan 0.000 0.440 389 N N 4.029 122.870 118.700 0.235 0.000 2.402 389 N HA 0.180 4.918 4.740 -0.003 0.000 0.252 389 N C 0.566 176.102 175.510 0.044 0.000 1.118 389 N CA -0.265 52.891 53.050 0.176 0.000 0.945 389 N CB 1.280 39.840 38.487 0.121 0.000 1.147 389 N HN 0.609 nan 8.380 nan 0.000 0.495 390 V N 2.513 122.435 119.914 0.013 0.000 2.594 390 V HA -0.208 3.909 4.120 -0.003 0.000 0.253 390 V C 2.011 178.090 176.094 -0.025 0.000 1.069 390 V CA 2.079 64.380 62.300 0.002 0.000 1.082 390 V CB -0.868 30.962 31.823 0.012 0.000 0.680 390 V HN 0.849 nan 8.190 nan 0.000 0.469 391 S N 0.510 116.184 115.700 -0.044 0.000 2.603 391 S HA 0.029 4.497 4.470 -0.003 0.000 0.229 391 S C 1.787 176.287 174.600 -0.167 0.000 0.972 391 S CA 0.767 58.920 58.200 -0.079 0.000 0.935 391 S CB -0.098 63.122 63.200 0.035 0.000 0.769 391 S HN 0.546 nan 8.310 nan 0.000 0.536 392 G N 0.926 109.664 108.800 -0.105 0.000 2.712 392 G HA2 0.295 4.253 3.960 -0.003 0.000 0.212 392 G HA3 0.295 4.253 3.960 -0.003 0.000 0.212 392 G C 0.393 175.237 174.900 -0.092 0.000 1.142 392 G CA -0.266 44.768 45.100 -0.110 0.000 0.789 392 G HN 0.474 nan 8.290 nan 0.000 0.535 393 L N 1.365 122.545 121.223 -0.072 0.000 2.418 393 L HA 0.550 4.887 4.340 -0.003 0.000 0.265 393 L C 0.600 177.424 176.870 -0.076 0.000 1.143 393 L CA -0.398 54.410 54.840 -0.053 0.000 0.809 393 L CB 1.659 43.698 42.059 -0.033 0.000 1.124 393 L HN 0.135 nan 8.230 nan 0.000 0.456 394 T N -3.955 110.563 114.554 -0.060 0.000 2.843 394 T HA 0.199 4.546 4.350 -0.003 0.000 0.302 394 T C 0.781 175.453 174.700 -0.045 0.000 1.232 394 T CA -0.101 61.957 62.100 -0.070 0.000 1.009 394 T CB 1.499 70.314 68.868 -0.089 0.000 1.254 394 T HN 0.692 nan 8.240 nan 0.000 0.504 395 T N -0.423 114.104 114.554 -0.046 0.000 2.849 395 T HA -0.098 4.250 4.350 -0.003 0.000 0.270 395 T C 1.450 176.135 174.700 -0.024 0.000 1.066 395 T CA 0.768 62.848 62.100 -0.032 0.000 1.130 395 T CB -0.415 68.434 68.868 -0.031 0.000 0.864 395 T HN 0.610 nan 8.240 nan 0.000 0.481 396 K N 1.918 122.300 120.400 -0.030 0.000 2.186 396 K HA 0.050 4.368 4.320 -0.003 0.000 0.202 396 K C 1.870 178.467 176.600 -0.005 0.000 1.052 396 K CA 1.263 57.536 56.287 -0.023 0.000 0.965 396 K CB -0.363 32.115 32.500 -0.037 0.000 0.746 396 K HN 0.670 nan 8.250 nan 0.000 0.457 397 N N 0.492 119.195 118.700 0.004 0.000 2.299 397 N HA -0.042 4.696 4.740 -0.003 0.000 0.187 397 N C 1.515 177.068 175.510 0.073 0.000 1.099 397 N CA 0.074 53.156 53.050 0.054 0.000 0.867 397 N CB -0.179 38.344 38.487 0.059 0.000 0.974 397 N HN -0.127 nan 8.380 nan 0.000 0.477 398 L N 1.497 122.736 121.223 0.026 0.000 2.013 398 L HA -0.137 4.201 4.340 -0.003 0.000 0.212 398 L C 1.251 178.128 176.870 0.011 0.000 1.073 398 L CA 1.799 56.642 54.840 0.006 0.000 0.753 398 L CB -1.162 40.888 42.059 -0.016 0.000 0.890 398 L HN 0.196 nan 8.230 nan 0.000 0.432 399 D N -1.969 118.447 120.400 0.026 0.000 2.144 399 D HA -0.241 4.397 4.640 -0.003 0.000 0.199 399 D C 2.090 178.428 176.300 0.063 0.000 0.984 399 D CA 1.014 55.028 54.000 0.023 0.000 0.834 399 D CB -0.125 40.690 40.800 0.025 0.000 0.955 399 D HN 0.356 nan 8.370 nan 0.000 0.465 400 Y N 1.354 121.642 120.300 -0.020 0.000 2.200 400 Y HA -0.162 4.386 4.550 -0.004 0.000 0.290 400 Y C 2.169 178.066 175.900 -0.005 0.000 1.137 400 Y CA 0.894 58.990 58.100 -0.006 0.000 1.163 400 Y CB -0.279 38.184 38.460 0.004 0.000 0.988 400 Y HN -0.221 nan 8.280 nan 0.000 0.518 401 V N 0.197 120.109 119.914 -0.003 0.000 2.358 401 V HA -0.281 3.837 4.120 -0.003 0.000 0.246 401 V C 2.641 178.654 176.094 -0.135 0.000 1.047 401 V CA 1.700 63.942 62.300 -0.096 0.000 1.035 401 V CB -1.488 30.325 31.823 -0.017 0.000 0.658 401 V HN 0.526 nan 8.190 nan 0.000 0.452 402 A N 0.879 123.634 122.820 -0.108 0.000 1.858 402 A HA -0.253 4.065 4.320 -0.003 0.000 0.216 402 A C 2.543 180.054 177.584 -0.121 0.000 1.190 402 A CA 2.793 54.748 52.037 -0.138 0.000 0.617 402 A CB -1.200 17.722 19.000 -0.131 0.000 0.827 402 A HN 0.628 nan 8.150 nan 0.000 0.443 403 T N -2.647 111.843 114.554 -0.106 0.000 2.788 403 T HA -0.135 4.213 4.350 -0.003 0.000 0.268 403 T C 2.005 176.673 174.700 -0.054 0.000 1.044 403 T CA 2.011 64.069 62.100 -0.071 0.000 1.139 403 T CB -0.682 68.154 68.868 -0.053 0.000 0.867 403 T HN 0.277 nan 8.240 nan 0.000 0.454 404 S N 1.498 117.088 115.700 -0.182 0.000 2.368 404 S HA 0.071 4.539 4.470 -0.003 0.000 0.225 404 S C 1.980 176.572 174.600 -0.012 0.000 1.030 404 S CA 1.308 59.415 58.200 -0.155 0.000 0.999 404 S CB -0.523 62.434 63.200 -0.406 0.000 0.844 404 S HN 0.515 nan 8.310 nan 0.000 0.459 405 I N 0.957 121.489 120.570 -0.063 0.000 2.286 405 I HA -0.240 3.928 4.170 -0.003 0.000 0.248 405 I C 2.544 178.643 176.117 -0.029 0.000 1.115 405 I CA 1.402 62.673 61.300 -0.049 0.000 1.392 405 I CB -0.450 37.468 38.000 -0.137 0.000 1.065 405 I HN 0.442 nan 8.210 nan 0.000 0.418 406 H N 1.391 120.388 119.070 -0.122 0.000 2.353 406 H HA -0.182 4.371 4.556 -0.004 0.000 0.300 406 H C 2.018 177.306 175.328 -0.067 0.000 1.090 406 H CA 1.975 57.965 56.048 -0.095 0.000 1.327 406 H CB 0.206 29.909 29.762 -0.098 0.000 1.383 406 H HN 0.429 nan 8.280 nan 0.000 0.508 407 E N 0.257 120.447 120.200 -0.016 0.000 2.051 407 E HA -0.135 4.213 4.350 -0.003 0.000 0.192 407 E C 2.459 178.886 176.600 -0.289 0.000 0.991 407 E CA 0.967 57.306 56.400 -0.102 0.000 0.799 407 E CB -0.097 29.641 29.700 0.063 0.000 0.748 407 E HN 0.509 nan 8.360 nan 0.000 0.449 408 A N 0.756 123.446 122.820 -0.218 0.000 1.933 408 A HA -0.138 4.180 4.320 -0.003 0.000 0.218 408 A C 2.451 179.909 177.584 -0.211 0.000 1.175 408 A CA 1.170 53.021 52.037 -0.309 0.000 0.628 408 A CB -0.490 18.498 19.000 -0.020 0.000 0.814 408 A HN 0.131 nan 8.150 nan 0.000 0.444 409 V N 0.361 120.192 119.914 -0.138 0.000 2.591 409 V HA -0.159 3.958 4.120 -0.003 0.000 0.249 409 V C 2.845 178.851 176.094 -0.147 0.000 1.053 409 V CA 2.231 64.485 62.300 -0.077 0.000 1.068 409 V CB -0.940 30.911 31.823 0.048 0.000 0.689 409 V HN 0.839 nan 8.190 nan 0.000 0.462 410 T N -2.566 111.836 114.554 -0.254 0.000 3.035 410 T HA -0.026 4.322 4.350 -0.003 0.000 0.259 410 T C 1.740 176.326 174.700 -0.191 0.000 1.078 410 T CA 0.654 62.613 62.100 -0.236 0.000 1.132 410 T CB -0.065 68.603 68.868 -0.333 0.000 0.900 410 T HN 0.399 nan 8.240 nan 0.000 0.480 411 K N 0.428 120.687 120.400 -0.236 0.000 2.211 411 K HA 0.330 4.648 4.320 -0.003 0.000 0.201 411 K C 0.231 176.707 176.600 -0.206 0.000 1.052 411 K CA 0.447 56.597 56.287 -0.227 0.000 0.973 411 K CB 0.230 32.541 32.500 -0.315 0.000 0.766 411 K HN 0.379 nan 8.250 nan 0.000 0.466 412 I N 1.644 122.086 120.570 -0.213 0.000 2.354 412 I HA 0.200 4.368 4.170 -0.003 0.000 0.286 412 I C -0.241 175.804 176.117 -0.121 0.000 1.007 412 I CA -0.764 60.435 61.300 -0.169 0.000 1.167 412 I CB 1.559 39.452 38.000 -0.180 0.000 1.320 412 I HN -0.009 nan 8.210 nan 0.000 0.458 413 A N 4.391 127.146 122.820 -0.109 0.000 2.313 413 A HA 0.256 4.574 4.320 -0.003 0.000 0.261 413 A C 1.179 178.718 177.584 -0.075 0.000 1.090 413 A CA -0.206 51.781 52.037 -0.085 0.000 0.807 413 A CB 0.594 19.544 19.000 -0.083 0.000 1.055 413 A HN 0.749 nan 8.150 nan 0.000 0.492 414 E N 0.309 120.477 120.200 -0.053 0.000 2.077 414 E HA -0.119 4.229 4.350 -0.003 0.000 0.193 414 E C 0.237 176.811 176.600 -0.043 0.000 0.989 414 E CA 1.414 57.789 56.400 -0.042 0.000 0.800 414 E CB 0.064 29.747 29.700 -0.027 0.000 0.746 414 E HN 0.603 nan 8.360 nan 0.000 0.452 415 N N -0.249 118.425 118.700 -0.044 0.000 2.346 415 N HA 0.058 4.796 4.740 -0.003 0.000 0.289 415 N C 0.161 175.582 175.510 -0.147 0.000 1.027 415 N CA -0.313 52.708 53.050 -0.048 0.000 0.864 415 N CB 1.313 39.839 38.487 0.066 0.000 1.370 415 N HN 0.053 nan 8.380 nan 0.000 0.481 416 L N 3.957 124.988 121.223 -0.320 0.000 2.079 416 L HA 0.045 4.382 4.340 -0.003 0.000 0.210 416 L C -0.133 176.415 176.870 -0.538 0.000 1.081 416 L CA 1.682 56.209 54.840 -0.522 0.000 0.752 416 L CB -0.481 41.071 42.059 -0.845 0.000 0.896 416 L HN 0.579 nan 8.230 nan 0.000 0.433 417 Y N -2.729 117.441 120.300 -0.216 0.000 2.457 417 Y HA 0.414 4.962 4.550 -0.003 0.000 0.333 417 Y C 0.277 175.932 175.900 -0.409 0.000 1.119 417 Y CA -1.104 56.665 58.100 -0.552 0.000 1.143 417 Y CB 0.700 38.500 38.460 -1.099 0.000 1.230 417 Y HN -0.006 nan 8.280 nan 0.000 0.469 418 F N -2.196 117.847 119.950 0.156 0.000 2.582 418 F HA -0.258 4.267 4.527 -0.004 0.000 0.350 418 F C 0.577 176.399 175.800 0.037 0.000 0.615 418 F CA 0.170 58.216 58.000 0.077 0.000 1.488 418 F CB -1.964 37.076 39.000 0.067 0.000 1.958 418 F HN 0.618 nan 8.300 nan 0.000 0.294 419 Q N 0.000 119.862 119.800 0.104 0.000 2.315 419 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 419 Q CA 0.000 55.839 55.803 0.059 0.000 1.022 419 Q CB 0.000 28.746 28.738 0.014 0.000 1.108 419 Q HN 0.000 nan 8.270 nan 0.000 0.481