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 2wk4_1_B DATA FIRST_RESID 1 DATA SEQUENCE DEFQWKGLPV VKSGLDVGGM PTGTRYHRSP AWPEEQPGET HAPAPFGSGD DATA SEQUENCE KRYTFSQTEM LVNGLKPYTE PTAGVPPQLL SRAVTHVRSY IETIIGTHRS DATA SEQUENCE PVLTYHQACE LLERTTSCGP FVQGLKGDYW DEEQQQYTGV LANHLEQAWD DATA SEQUENCE KANKGIAPRN AYKLALKDEL RPIEKNKAGK RRLLWGCDAA TTLIATAAFK DATA SEQUENCE AVATRLQVVT PMTPVAVGIN MDSVQMQVMN DSLKGGVLYC LDYSKWDSTQ DATA SEQUENCE NPAVTAASLA ILERFAEPHP IVSCAIEALS SPAEGYVNDI KFVTRGGLPS DATA SEQUENCE GMPFTSVVNS INHMIYVAAA ILQAYESHNV PYTGNVFQVE TIHTYGGGCM DATA SEQUENCE YSVCPATASI FHTVLANLTS YGLKPTAADK SDAIKPTNTP VFLKRTFTQT DATA SEQUENCE PHGIRALLDI TSITRQFYWL KANRTSDPSS PPAFDRQARS AQLENALAYA DATA SEQUENCE SQHGPVMFDT VRQIAIKTAQ GEGLVLVNTN YDQALATYNA WFIGGTVPDP DATA SEQUENCE VG 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.416 176.300 0.193 0.000 2.045 1 D CA 0.000 54.076 54.000 0.126 0.000 0.868 1 D CB 0.000 40.848 40.800 0.080 0.000 0.688 2 E N 0.812 121.098 120.200 0.144 0.000 1.993 2 E HA 0.393 4.769 4.350 0.044 0.000 0.271 2 E C -0.681 176.016 176.600 0.162 0.000 1.008 2 E CA -0.598 55.860 56.400 0.096 0.000 0.814 2 E CB 0.328 30.054 29.700 0.043 0.000 1.098 2 E HN 0.208 nan 8.360 nan 0.000 0.407 3 F N 1.226 121.211 119.950 0.058 0.000 2.452 3 F HA 0.525 5.078 4.527 0.044 0.000 0.353 3 F C 0.196 176.060 175.800 0.106 0.000 1.089 3 F CA -1.008 57.036 58.000 0.074 0.000 1.080 3 F CB 0.359 39.402 39.000 0.071 0.000 1.399 3 F HN 0.116 nan 8.300 nan 0.000 0.492 4 Q N -0.496 119.488 119.800 0.307 0.000 2.252 4 Q HA 0.330 4.697 4.340 0.044 0.000 0.256 4 Q C -2.013 174.209 176.000 0.370 0.000 1.020 4 Q CA -0.420 55.508 55.803 0.208 0.000 0.913 4 Q CB 2.490 31.330 28.738 0.171 0.000 1.286 4 Q HN 0.948 nan 8.270 nan 0.000 0.480 5 W N 1.306 122.625 121.300 0.031 0.000 3.525 5 W HA 0.165 4.852 4.660 0.045 0.000 0.299 5 W C -0.808 175.704 176.519 -0.012 0.000 1.127 5 W CA -0.294 57.072 57.345 0.036 0.000 1.282 5 W CB 0.436 29.898 29.460 0.004 0.000 0.997 5 W HN 0.682 nan 8.180 nan 0.000 0.358 6 K N 4.344 124.507 120.400 -0.395 0.000 3.834 6 K HA -0.164 4.182 4.320 0.044 0.000 0.276 6 K C 1.173 177.694 176.600 -0.132 0.000 0.850 6 K CA 1.872 57.959 56.287 -0.333 0.000 0.704 6 K CB -1.113 31.056 32.500 -0.553 0.000 1.644 6 K HN 1.365 nan 8.250 nan 0.000 0.440 7 G N -0.555 108.221 108.800 -0.039 0.000 2.184 7 G HA2 -0.284 3.702 3.960 0.044 0.000 0.264 7 G HA3 -0.284 3.702 3.960 0.044 0.000 0.264 7 G C -0.070 174.851 174.900 0.034 0.000 0.975 7 G CA 0.156 45.258 45.100 0.003 0.000 0.642 7 G HN 0.316 nan 8.290 nan 0.000 0.536 8 L N 1.024 122.292 121.223 0.075 0.000 2.282 8 L HA 0.416 4.782 4.340 0.044 0.000 0.288 8 L C -2.201 174.707 176.870 0.064 0.000 1.033 8 L CA -1.696 53.172 54.840 0.048 0.000 0.807 8 L CB 1.552 43.641 42.059 0.050 0.000 1.209 8 L HN -0.141 nan 8.230 nan 0.000 0.423 9 P HA 0.228 nan 4.420 nan 0.000 0.274 9 P C -0.720 176.650 177.300 0.117 0.000 1.291 9 P CA 0.017 63.182 63.100 0.108 0.000 0.815 9 P CB 0.955 32.765 31.700 0.182 0.000 0.897 10 V N 4.323 124.144 119.914 -0.155 0.000 3.114 10 V HA 0.626 4.772 4.120 0.044 0.000 0.308 10 V C -0.544 175.247 176.094 -0.506 0.000 1.168 10 V CA -0.885 61.240 62.300 -0.292 0.000 1.015 10 V CB 3.000 34.550 31.823 -0.455 0.000 1.050 10 V HN 0.251 nan 8.190 nan 0.000 0.433 11 V N 2.420 122.140 119.914 -0.324 0.000 2.777 11 V HA 0.526 4.672 4.120 0.044 0.000 0.306 11 V C -0.324 175.748 176.094 -0.036 0.000 1.112 11 V CA -0.810 61.398 62.300 -0.152 0.000 0.917 11 V CB 1.929 33.713 31.823 -0.064 0.000 1.018 11 V HN 0.881 nan 8.190 nan 0.000 0.426 12 K N 3.330 123.821 120.400 0.152 0.000 2.473 12 K HA 0.016 4.362 4.320 0.044 0.000 0.277 12 K C 1.330 177.960 176.600 0.050 0.000 1.052 12 K CA 0.889 57.255 56.287 0.132 0.000 1.114 12 K CB 0.723 33.320 32.500 0.161 0.000 0.869 12 K HN 1.002 nan 8.250 nan 0.000 0.481 13 S N 2.456 118.177 115.700 0.035 0.000 2.562 13 S HA 0.032 4.528 4.470 0.044 0.000 0.221 13 S C 1.404 176.086 174.600 0.136 0.000 0.975 13 S CA 0.285 58.522 58.200 0.063 0.000 0.918 13 S CB -0.043 63.219 63.200 0.104 0.000 0.772 13 S HN 0.982 nan 8.310 nan 0.000 0.531 14 G N 1.747 110.605 108.800 0.097 0.000 4.886 14 G HA2 -0.289 3.697 3.960 0.044 0.000 0.305 14 G HA3 -0.289 3.697 3.960 0.044 0.000 0.305 14 G C -0.154 174.800 174.900 0.090 0.000 1.483 14 G CA 0.018 45.167 45.100 0.081 0.000 1.029 14 G HN 0.541 nan 8.290 nan 0.000 0.746 15 L N 2.570 123.862 121.223 0.116 0.000 2.529 15 L HA 0.362 4.728 4.340 0.044 0.000 0.287 15 L C 0.842 177.785 176.870 0.122 0.000 1.241 15 L CA 0.545 55.453 54.840 0.113 0.000 0.857 15 L CB 0.338 42.475 42.059 0.130 0.000 1.113 15 L HN 0.552 nan 8.230 nan 0.000 0.504 16 D N 1.062 121.513 120.400 0.086 0.000 2.253 16 D HA 0.311 4.977 4.640 0.044 0.000 0.249 16 D C 0.092 176.436 176.300 0.072 0.000 1.049 16 D CA -0.195 53.849 54.000 0.074 0.000 0.929 16 D CB 2.063 42.893 40.800 0.050 0.000 1.176 16 D HN 0.223 nan 8.370 nan 0.000 0.437 17 V N 0.949 120.900 119.914 0.061 0.000 3.426 17 V HA 0.284 4.430 4.120 0.044 0.000 0.271 17 V C 0.611 176.720 176.094 0.026 0.000 1.530 17 V CA 0.758 63.082 62.300 0.040 0.000 1.021 17 V CB 0.104 31.955 31.823 0.047 0.000 0.824 17 V HN 0.938 nan 8.190 nan 0.000 0.432 18 G N 0.169 108.986 108.800 0.028 0.000 2.755 18 G HA2 0.093 4.079 3.960 0.044 0.000 0.686 18 G HA3 0.093 4.079 3.960 0.044 0.000 0.686 18 G C 0.314 175.222 174.900 0.015 0.000 1.427 18 G CA -0.377 44.736 45.100 0.023 0.000 0.873 18 G HN 1.008 nan 8.290 nan 0.000 0.580 19 G N 0.180 108.990 108.800 0.017 0.000 2.716 19 G HA2 0.617 4.603 3.960 0.044 0.000 0.251 19 G HA3 0.617 4.603 3.960 0.044 0.000 0.251 19 G C 0.891 175.798 174.900 0.011 0.000 1.224 19 G CA 0.231 45.339 45.100 0.014 0.000 0.891 19 G HN 1.558 nan 8.290 nan 0.000 0.561 20 M N -0.194 119.410 119.600 0.007 0.000 2.314 20 M HA 0.409 4.915 4.480 0.044 0.000 0.342 20 M C -2.382 173.933 176.300 0.024 0.000 1.171 20 M CA -1.665 53.638 55.300 0.004 0.000 1.098 20 M CB 0.744 33.334 32.600 -0.016 0.000 1.559 20 M HN 0.084 nan 8.290 nan 0.000 0.459 21 P HA -0.155 nan 4.420 nan 0.000 0.259 21 P C -0.178 177.156 177.300 0.056 0.000 1.120 21 P CA 0.879 63.998 63.100 0.031 0.000 0.759 21 P CB -0.060 31.650 31.700 0.016 0.000 0.704 22 T N 2.433 117.028 114.554 0.068 0.000 2.799 22 T HA 0.474 4.850 4.350 0.044 0.000 0.296 22 T C 0.660 175.426 174.700 0.110 0.000 0.947 22 T CA 0.883 63.049 62.100 0.110 0.000 1.141 22 T CB -0.392 68.536 68.868 0.101 0.000 0.891 22 T HN 0.843 nan 8.240 nan 0.000 0.533 23 G N 2.902 111.826 108.800 0.206 0.000 2.582 23 G HA2 0.049 4.035 3.960 0.044 0.000 0.222 23 G HA3 0.049 4.035 3.960 0.044 0.000 0.222 23 G C -0.216 174.359 174.900 -0.543 0.000 1.311 23 G CA -0.255 44.876 45.100 0.051 0.000 0.915 23 G HN 1.201 nan 8.290 nan 0.000 0.528 24 T N -1.467 112.518 114.554 -0.949 0.000 2.908 24 T HA 0.682 5.058 4.350 0.044 0.000 0.290 24 T C 1.178 175.647 174.700 -0.386 0.000 1.034 24 T CA -0.241 61.449 62.100 -0.683 0.000 1.010 24 T CB 1.804 70.171 68.868 -0.833 0.000 1.068 24 T HN 0.626 nan 8.240 nan 0.000 0.481 25 R N 1.308 121.643 120.500 -0.274 0.000 2.300 25 R HA 0.189 4.555 4.340 0.044 0.000 0.199 25 R C -0.422 175.609 176.300 -0.448 0.000 0.920 25 R CA 0.108 56.015 56.100 -0.322 0.000 1.046 25 R CB 0.202 30.341 30.300 -0.269 0.000 0.984 25 R HN 0.551 nan 8.270 nan 0.000 0.493 26 Y N 0.500 120.609 120.300 -0.319 0.000 2.393 26 Y HA 0.126 4.703 4.550 0.044 0.000 0.338 26 Y C 0.067 175.846 175.900 -0.202 0.000 1.029 26 Y CA -0.111 57.880 58.100 -0.183 0.000 1.239 26 Y CB 0.612 38.995 38.460 -0.128 0.000 1.170 26 Y HN 0.033 nan 8.280 nan 0.000 0.515 27 H N 0.812 120.056 119.070 0.291 0.000 2.573 27 H HA 0.448 5.030 4.556 0.044 0.000 0.351 27 H C -0.426 175.122 175.328 0.367 0.000 1.163 27 H CA -1.345 54.874 56.048 0.284 0.000 1.205 27 H CB 1.199 31.053 29.762 0.153 0.000 1.605 27 H HN 0.508 nan 8.280 nan 0.000 0.525 28 R N 1.582 122.316 120.500 0.390 0.000 2.347 28 R HA 0.150 4.516 4.340 0.044 0.000 0.304 28 R C -0.202 176.136 176.300 0.064 0.000 1.072 28 R CA -0.321 55.812 56.100 0.054 0.000 0.980 28 R CB 0.561 30.742 30.300 -0.198 0.000 0.986 28 R HN 0.648 nan 8.270 nan 0.000 0.448 29 S N 5.502 121.236 115.700 0.056 0.000 2.784 29 S HA 0.013 4.509 4.470 0.044 0.000 0.322 29 S C -1.420 173.236 174.600 0.093 0.000 1.234 29 S CA -1.068 57.196 58.200 0.107 0.000 1.064 29 S CB 0.557 63.915 63.200 0.264 0.000 0.787 29 S HN 0.647 nan 8.310 nan 0.000 0.506 30 P HA -0.097 nan 4.420 nan 0.000 0.221 30 P C 0.720 177.985 177.300 -0.059 0.000 1.141 30 P CA 1.438 64.546 63.100 0.012 0.000 0.794 30 P CB -0.017 31.704 31.700 0.035 0.000 0.764 31 A N -3.269 119.480 122.820 -0.119 0.000 2.308 31 A HA 0.110 4.456 4.320 0.044 0.000 0.217 31 A C 0.334 177.488 177.584 -0.717 0.000 1.216 31 A CA -0.133 51.647 52.037 -0.430 0.000 0.864 31 A CB -0.600 18.081 19.000 -0.532 0.000 0.902 31 A HN 0.198 nan 8.150 nan 0.000 0.499 32 W N -0.758 120.524 121.300 -0.030 0.000 1.402 32 W HA 0.362 5.048 4.660 0.044 0.000 0.300 32 W C -2.266 174.166 176.519 -0.144 0.000 0.853 32 W CA -1.509 55.785 57.345 -0.084 0.000 2.057 32 W CB 0.440 29.862 29.460 -0.063 0.000 2.087 32 W HN 0.132 nan 8.180 nan 0.000 0.466 33 P HA -0.161 nan 4.420 nan 0.000 0.215 33 P C 0.060 177.351 177.300 -0.014 0.000 1.153 33 P CA 1.593 64.690 63.100 -0.005 0.000 0.853 33 P CB 0.396 32.086 31.700 -0.017 0.000 0.788 34 E N 0.736 120.935 120.200 -0.001 0.000 2.259 34 E HA 0.093 4.469 4.350 0.044 0.000 0.281 34 E C 0.070 176.639 176.600 -0.053 0.000 1.027 34 E CA -0.692 55.698 56.400 -0.015 0.000 0.838 34 E CB 0.446 30.145 29.700 -0.002 0.000 1.066 34 E HN 0.153 nan 8.360 nan 0.000 0.401 35 E N 2.509 122.664 120.200 -0.076 0.000 2.508 35 E HA -0.100 4.277 4.350 0.044 0.000 0.266 35 E C -0.119 176.386 176.600 -0.159 0.000 1.010 35 E CA 0.600 56.925 56.400 -0.125 0.000 0.955 35 E CB 0.319 29.988 29.700 -0.052 0.000 0.946 35 E HN 0.357 nan 8.360 nan 0.000 0.454 36 Q N 1.445 121.077 119.800 -0.280 0.000 2.348 36 Q HA 0.381 4.747 4.340 0.044 0.000 0.271 36 Q C -2.243 173.663 176.000 -0.157 0.000 1.067 36 Q CA -2.076 53.548 55.803 -0.297 0.000 0.839 36 Q CB 1.561 29.870 28.738 -0.716 0.000 1.354 36 Q HN 0.253 nan 8.270 nan 0.000 0.447 37 P HA 0.039 nan 4.420 nan 0.000 0.261 37 P C 0.374 177.668 177.300 -0.010 0.000 1.203 37 P CA 0.719 63.801 63.100 -0.030 0.000 0.767 37 P CB 0.066 31.760 31.700 -0.010 0.000 0.785 38 G N 2.258 111.062 108.800 0.007 0.000 2.136 38 G HA2 -0.230 3.756 3.960 0.044 0.000 0.242 38 G HA3 -0.230 3.756 3.960 0.044 0.000 0.242 38 G C -0.004 174.932 174.900 0.060 0.000 0.989 38 G CA -0.400 44.719 45.100 0.033 0.000 0.682 38 G HN 0.588 nan 8.290 nan 0.000 0.522 39 E N 0.096 120.325 120.200 0.048 0.000 2.265 39 E HA 0.372 4.748 4.350 0.044 0.000 0.272 39 E C 1.104 177.789 176.600 0.141 0.000 1.067 39 E CA 0.320 56.784 56.400 0.106 0.000 0.900 39 E CB 0.688 30.419 29.700 0.051 0.000 1.017 39 E HN 0.217 nan 8.360 nan 0.000 0.431 40 T N 2.536 117.213 114.554 0.205 0.000 3.021 40 T HA 0.017 4.393 4.350 0.044 0.000 0.245 40 T C 0.029 174.863 174.700 0.223 0.000 1.028 40 T CA 0.422 62.653 62.100 0.219 0.000 1.139 40 T CB 0.101 69.131 68.868 0.270 0.000 0.884 40 T HN 0.393 nan 8.240 nan 0.000 0.457 41 H N 0.278 119.377 119.070 0.049 0.000 2.523 41 H HA 0.810 5.392 4.556 0.044 0.000 0.345 41 H C -0.045 175.248 175.328 -0.059 0.000 1.261 41 H CA -0.505 55.519 56.048 -0.039 0.000 1.343 41 H CB 0.876 30.567 29.762 -0.117 0.000 1.650 41 H HN 0.362 nan 8.280 nan 0.000 0.591 42 A N 0.238 122.971 122.820 -0.144 0.000 2.567 42 A HA 0.476 4.823 4.320 0.044 0.000 0.291 42 A C -2.980 174.295 177.584 -0.515 0.000 1.048 42 A CA -1.553 50.219 52.037 -0.441 0.000 0.661 42 A CB 0.434 19.412 19.000 -0.036 0.000 1.288 42 A HN 0.489 nan 8.150 nan 0.000 0.424 43 P HA 0.414 nan 4.420 nan 0.000 0.268 43 P C 0.077 177.289 177.300 -0.148 0.000 1.205 43 P CA 0.413 63.228 63.100 -0.475 0.000 0.771 43 P CB 0.683 32.168 31.700 -0.358 0.000 0.858 44 A N 5.361 128.097 122.820 -0.141 0.000 2.531 44 A HA 0.253 4.599 4.320 0.044 0.000 0.236 44 A C -2.025 175.619 177.584 0.100 0.000 1.062 44 A CA -0.807 51.194 52.037 -0.060 0.000 0.760 44 A CB -1.437 17.519 19.000 -0.072 0.000 0.995 44 A HN 0.415 nan 8.150 nan 0.000 0.501 45 P HA 0.169 nan 4.420 nan 0.000 0.264 45 P C -0.137 177.267 177.300 0.173 0.000 1.193 45 P CA 0.452 63.578 63.100 0.044 0.000 0.763 45 P CB 0.039 31.519 31.700 -0.365 0.000 0.810 46 F N 0.994 120.990 119.950 0.077 0.000 2.838 46 F HA 0.518 5.071 4.527 0.044 0.000 0.329 46 F C 1.146 176.999 175.800 0.088 0.000 1.116 46 F CA 0.194 58.230 58.000 0.060 0.000 1.155 46 F CB -0.411 38.620 39.000 0.052 0.000 1.106 46 F HN 0.505 nan 8.300 nan 0.000 0.538 47 G N 1.165 109.862 108.800 -0.172 0.000 2.601 47 G HA2 -0.362 3.624 3.960 0.044 0.000 0.306 47 G HA3 -0.362 3.624 3.960 0.044 0.000 0.306 47 G C 0.282 175.081 174.900 -0.168 0.000 1.172 47 G CA 0.196 45.239 45.100 -0.095 0.000 0.966 47 G HN 0.631 nan 8.290 nan 0.000 0.542 48 S N 1.973 117.655 115.700 -0.031 0.000 2.946 48 S HA 0.394 4.890 4.470 0.044 0.000 0.349 48 S C 1.411 176.022 174.600 0.017 0.000 1.189 48 S CA 1.937 60.143 58.200 0.009 0.000 1.285 48 S CB -0.832 62.407 63.200 0.064 0.000 1.010 48 S HN 2.488 nan 8.310 nan 0.000 0.538 49 G N 4.584 113.364 108.800 -0.033 0.000 2.981 49 G HA2 -0.208 3.779 3.960 0.044 0.000 0.198 49 G HA3 -0.208 3.779 3.960 0.044 0.000 0.198 49 G C -0.125 174.685 174.900 -0.150 0.000 1.806 49 G CA -0.182 44.920 45.100 0.003 0.000 1.374 49 G HN 0.635 nan 8.290 nan 0.000 0.555 50 D N 2.604 122.663 120.400 -0.569 0.000 2.503 50 D HA 0.191 4.857 4.640 0.044 0.000 0.280 50 D C 1.739 177.920 176.300 -0.198 0.000 1.405 50 D CA 0.463 54.113 54.000 -0.584 0.000 1.049 50 D CB 0.431 40.642 40.800 -0.981 0.000 1.127 50 D HN 0.526 nan 8.370 nan 0.000 0.551 51 K N 2.651 123.002 120.400 -0.081 0.000 2.365 51 K HA -0.089 4.257 4.320 0.044 0.000 0.199 51 K C 1.724 178.281 176.600 -0.072 0.000 1.045 51 K CA 0.508 56.767 56.287 -0.048 0.000 0.962 51 K CB 0.324 32.821 32.500 -0.005 0.000 0.759 51 K HN 0.318 nan 8.250 nan 0.000 0.469 52 R N -0.098 120.348 120.500 -0.090 0.000 2.062 52 R HA -0.044 4.322 4.340 0.044 0.000 0.231 52 R C 0.428 176.536 176.300 -0.320 0.000 1.136 52 R CA 1.251 57.217 56.100 -0.222 0.000 0.948 52 R CB -0.088 30.061 30.300 -0.251 0.000 0.845 52 R HN 0.109 nan 8.270 nan 0.000 0.430 53 Y N -1.754 118.532 120.300 -0.024 0.000 2.485 53 Y HA 0.196 4.772 4.550 0.044 0.000 0.345 53 Y C 0.775 176.594 175.900 -0.135 0.000 0.998 53 Y CA -0.794 57.293 58.100 -0.021 0.000 1.059 53 Y CB 2.270 40.874 38.460 0.239 0.000 1.234 53 Y HN -0.215 nan 8.280 nan 0.000 0.461 54 T N 3.025 117.488 114.554 -0.152 0.000 3.251 54 T HA 0.326 4.702 4.350 0.044 0.000 0.259 54 T C -0.519 173.982 174.700 -0.331 0.000 0.998 54 T CA -0.147 61.813 62.100 -0.233 0.000 0.905 54 T CB -0.970 67.764 68.868 -0.224 0.000 1.067 54 T HN 0.328 nan 8.240 nan 0.000 0.569 55 F N 2.375 122.330 119.950 0.009 0.000 2.389 55 F HA 0.493 5.047 4.527 0.044 0.000 0.337 55 F C 1.216 176.993 175.800 -0.038 0.000 1.112 55 F CA -0.881 57.100 58.000 -0.032 0.000 1.192 55 F CB 0.887 39.845 39.000 -0.069 0.000 1.185 55 F HN 0.113 nan 8.300 nan 0.000 0.552 56 S N 1.147 116.939 115.700 0.153 0.000 2.687 56 S HA 0.233 4.729 4.470 0.044 0.000 0.283 56 S C 0.838 175.495 174.600 0.095 0.000 1.170 56 S CA -0.680 57.572 58.200 0.088 0.000 1.008 56 S CB 1.699 64.936 63.200 0.061 0.000 1.026 56 S HN 0.697 nan 8.310 nan 0.000 0.541 57 Q N 1.259 121.108 119.800 0.082 0.000 2.029 57 Q HA -0.168 4.198 4.340 0.044 0.000 0.209 57 Q C 2.034 178.087 176.000 0.089 0.000 0.999 57 Q CA 3.150 59.005 55.803 0.086 0.000 0.857 57 Q CB -1.183 27.607 28.738 0.087 0.000 0.926 57 Q HN 1.015 nan 8.270 nan 0.000 0.415 58 T N -2.833 111.796 114.554 0.125 0.000 3.088 58 T HA 0.058 4.434 4.350 0.044 0.000 0.259 58 T C 1.452 176.268 174.700 0.193 0.000 1.122 58 T CA 0.716 62.941 62.100 0.209 0.000 1.095 58 T CB -0.066 69.016 68.868 0.358 0.000 0.930 58 T HN 0.417 nan 8.240 nan 0.000 0.508 59 E N 1.530 121.789 120.200 0.098 0.000 2.005 59 E HA -0.158 4.218 4.350 0.044 0.000 0.198 59 E C 1.776 178.395 176.600 0.031 0.000 1.010 59 E CA 1.827 58.256 56.400 0.048 0.000 0.825 59 E CB -0.168 29.591 29.700 0.099 0.000 0.769 59 E HN 0.658 nan 8.360 nan 0.000 0.456 60 M N 0.293 119.899 119.600 0.010 0.000 2.618 60 M HA 0.072 4.578 4.480 0.044 0.000 0.240 60 M C 1.611 177.886 176.300 -0.042 0.000 1.123 60 M CA 0.782 56.047 55.300 -0.059 0.000 1.060 60 M CB -0.104 32.396 32.600 -0.168 0.000 1.535 60 M HN 0.063 nan 8.290 nan 0.000 0.507 61 L N 0.040 121.259 121.223 -0.007 0.000 2.201 61 L HA -0.050 4.317 4.340 0.044 0.000 0.212 61 L C 2.065 178.915 176.870 -0.034 0.000 1.105 61 L CA 1.125 55.942 54.840 -0.038 0.000 0.775 61 L CB -0.242 41.800 42.059 -0.028 0.000 0.913 61 L HN 0.289 nan 8.230 nan 0.000 0.440 62 V N 0.054 119.986 119.914 0.030 0.000 2.488 62 V HA -0.190 3.957 4.120 0.044 0.000 0.246 62 V C 2.115 178.196 176.094 -0.021 0.000 1.046 62 V CA 1.258 63.566 62.300 0.014 0.000 1.053 62 V CB -0.368 31.471 31.823 0.028 0.000 0.679 62 V HN 0.448 nan 8.190 nan 0.000 0.458 63 N N 0.682 119.365 118.700 -0.029 0.000 2.309 63 N HA -0.073 4.693 4.740 0.044 0.000 0.182 63 N C 1.731 177.240 175.510 -0.002 0.000 1.018 63 N CA 1.293 54.323 53.050 -0.033 0.000 0.876 63 N CB -0.385 38.054 38.487 -0.080 0.000 0.972 63 N HN 0.493 nan 8.380 nan 0.000 0.434 64 G N 0.070 108.871 108.800 0.002 0.000 2.396 64 G HA2 -0.066 3.920 3.960 0.044 0.000 0.214 64 G HA3 -0.066 3.920 3.960 0.044 0.000 0.214 64 G C 1.405 176.401 174.900 0.160 0.000 1.166 64 G CA 0.042 45.184 45.100 0.069 0.000 0.793 64 G HN 0.231 nan 8.290 nan 0.000 0.533 65 L N 0.202 121.450 121.223 0.042 0.000 2.376 65 L HA 0.045 4.411 4.340 0.044 0.000 0.219 65 L C 2.687 179.656 176.870 0.164 0.000 1.133 65 L CA 0.677 55.539 54.840 0.038 0.000 0.816 65 L CB -0.110 41.768 42.059 -0.303 0.000 0.933 65 L HN 0.191 nan 8.230 nan 0.000 0.449 66 K N 1.249 121.715 120.400 0.110 0.000 2.044 66 K HA -0.153 4.193 4.320 0.044 0.000 0.210 66 K C -0.552 176.135 176.600 0.146 0.000 1.049 66 K CA 1.666 58.005 56.287 0.085 0.000 0.927 66 K CB -1.277 31.247 32.500 0.040 0.000 0.713 66 K HN 0.135 nan 8.250 nan 0.000 0.443 67 P HA -0.180 nan 4.420 nan 0.000 0.215 67 P C 0.769 178.136 177.300 0.112 0.000 1.157 67 P CA 1.495 64.638 63.100 0.071 0.000 0.868 67 P CB -0.280 31.388 31.700 -0.052 0.000 0.788 68 Y N 0.656 121.050 120.300 0.157 0.000 2.716 68 Y HA -0.090 4.486 4.550 0.044 0.000 0.302 68 Y C 2.397 178.449 175.900 0.253 0.000 1.160 68 Y CA 1.396 59.620 58.100 0.207 0.000 1.362 68 Y CB -1.554 37.116 38.460 0.351 0.000 0.988 68 Y HN 0.142 nan 8.280 nan 0.000 0.546 69 T N -3.562 111.216 114.554 0.373 0.000 2.953 69 T HA 0.000 4.377 4.350 0.044 0.000 0.247 69 T C 0.784 175.576 174.700 0.152 0.000 1.029 69 T CA 0.149 62.429 62.100 0.301 0.000 1.144 69 T CB -0.020 69.005 68.868 0.263 0.000 0.870 69 T HN 0.013 nan 8.240 nan 0.000 0.446 70 E N 3.941 124.202 120.200 0.103 0.000 2.003 70 E HA 0.228 4.605 4.350 0.044 0.000 0.279 70 E C -2.201 174.410 176.600 0.017 0.000 1.132 70 E CA -1.740 54.688 56.400 0.048 0.000 0.888 70 E CB 0.761 30.480 29.700 0.030 0.000 1.056 70 E HN 0.461 nan 8.360 nan 0.000 0.399 71 P HA 0.008 nan 4.420 nan 0.000 0.272 71 P C 0.066 177.356 177.300 -0.018 0.000 1.230 71 P CA -0.256 62.839 63.100 -0.009 0.000 0.788 71 P CB 0.860 32.559 31.700 -0.002 0.000 0.949 72 T N -0.136 114.399 114.554 -0.031 0.000 2.922 72 T HA 0.435 4.811 4.350 0.044 0.000 0.285 72 T C 1.536 176.239 174.700 0.006 0.000 1.005 72 T CA 0.049 62.134 62.100 -0.025 0.000 1.061 72 T CB 0.497 69.332 68.868 -0.055 0.000 1.007 72 T HN 0.370 nan 8.240 nan 0.000 0.502 73 A N 3.079 125.914 122.820 0.026 0.000 1.940 73 A HA 0.360 4.707 4.320 0.044 0.000 0.219 73 A C 1.605 179.237 177.584 0.079 0.000 1.176 73 A CA 1.722 53.790 52.037 0.052 0.000 0.631 73 A CB -1.717 17.321 19.000 0.063 0.000 0.814 73 A HN 1.991 nan 8.150 nan 0.000 0.446 74 G N -2.569 106.305 108.800 0.123 0.000 2.645 74 G HA2 -0.070 3.917 3.960 0.044 0.000 0.239 74 G HA3 -0.070 3.917 3.960 0.044 0.000 0.239 74 G C -0.275 174.657 174.900 0.054 0.000 1.331 74 G CA -0.265 44.895 45.100 0.099 0.000 0.890 74 G HN 1.120 nan 8.290 nan 0.000 0.572 75 V N 2.874 122.697 119.914 -0.150 0.000 2.435 75 V HA 0.549 4.695 4.120 0.044 0.000 0.290 75 V C -1.491 174.524 176.094 -0.132 0.000 1.030 75 V CA -0.911 61.206 62.300 -0.304 0.000 0.881 75 V CB 1.636 33.145 31.823 -0.525 0.000 0.983 75 V HN 0.767 nan 8.190 nan 0.000 0.445 76 P HA 0.175 nan 4.420 nan 0.000 0.268 76 P C -2.289 174.977 177.300 -0.058 0.000 1.204 76 P CA -1.366 61.717 63.100 -0.029 0.000 0.768 76 P CB 0.431 32.136 31.700 0.009 0.000 0.842 77 P HA -0.236 nan 4.420 nan 0.000 0.220 77 P C 1.745 179.017 177.300 -0.047 0.000 1.155 77 P CA 1.771 64.841 63.100 -0.051 0.000 0.880 77 P CB 0.016 31.695 31.700 -0.035 0.000 0.790 78 Q N -1.401 118.378 119.800 -0.034 0.000 2.083 78 Q HA -0.082 4.284 4.340 0.044 0.000 0.198 78 Q C 2.124 178.104 176.000 -0.033 0.000 0.969 78 Q CA 0.877 56.665 55.803 -0.025 0.000 0.838 78 Q CB -0.561 28.169 28.738 -0.014 0.000 0.900 78 Q HN 0.206 nan 8.270 nan 0.000 0.436 79 L N 0.127 121.323 121.223 -0.045 0.000 2.027 79 L HA -0.173 4.193 4.340 0.044 0.000 0.206 79 L C 2.235 179.047 176.870 -0.097 0.000 1.074 79 L CA 0.651 55.452 54.840 -0.066 0.000 0.745 79 L CB -0.262 41.759 42.059 -0.063 0.000 0.898 79 L HN 0.350 nan 8.230 nan 0.000 0.433 80 L N 0.024 121.176 121.223 -0.118 0.000 1.971 80 L HA -0.295 4.071 4.340 0.044 0.000 0.215 80 L C 2.909 179.725 176.870 -0.090 0.000 1.072 80 L CA 2.472 57.227 54.840 -0.142 0.000 0.758 80 L CB -0.833 41.139 42.059 -0.144 0.000 0.889 80 L HN 0.451 nan 8.230 nan 0.000 0.433 81 S N -0.815 114.849 115.700 -0.060 0.000 2.383 81 S HA -0.280 4.216 4.470 0.044 0.000 0.229 81 S C 2.280 176.877 174.600 -0.004 0.000 1.030 81 S CA 1.424 59.605 58.200 -0.032 0.000 1.002 81 S CB -0.595 62.591 63.200 -0.022 0.000 0.829 81 S HN 0.556 nan 8.310 nan 0.000 0.467 82 R N 0.986 121.483 120.500 -0.006 0.000 2.061 82 R HA 0.019 4.385 4.340 0.044 0.000 0.230 82 R C 2.689 179.025 176.300 0.060 0.000 1.140 82 R CA 1.327 57.449 56.100 0.036 0.000 0.940 82 R CB -1.035 29.268 30.300 0.005 0.000 0.839 82 R HN 0.522 nan 8.270 nan 0.000 0.429 83 A N 0.593 123.388 122.820 -0.042 0.000 1.940 83 A HA -0.201 4.145 4.320 0.044 0.000 0.221 83 A C 2.307 179.937 177.584 0.077 0.000 1.190 83 A CA 2.105 54.118 52.037 -0.041 0.000 0.647 83 A CB -0.904 18.035 19.000 -0.101 0.000 0.821 83 A HN 0.262 nan 8.150 nan 0.000 0.457 84 V N 0.544 120.479 119.914 0.035 0.000 2.231 84 V HA -0.330 3.816 4.120 0.044 0.000 0.248 84 V C 3.040 179.201 176.094 0.112 0.000 1.054 84 V CA 2.839 65.169 62.300 0.049 0.000 1.015 84 V CB -1.733 30.091 31.823 0.001 0.000 0.638 84 V HN 0.874 nan 8.190 nan 0.000 0.444 85 T N -1.970 112.653 114.554 0.116 0.000 2.737 85 T HA -0.342 4.034 4.350 0.044 0.000 0.269 85 T C 1.693 176.499 174.700 0.178 0.000 1.040 85 T CA 2.289 64.462 62.100 0.121 0.000 1.142 85 T CB -0.666 68.257 68.868 0.093 0.000 0.861 85 T HN 0.591 nan 8.240 nan 0.000 0.456 86 H N 0.780 119.923 119.070 0.123 0.000 2.293 86 H HA 0.103 4.685 4.556 0.044 0.000 0.300 86 H C 2.516 178.048 175.328 0.340 0.000 1.082 86 H CA 1.503 57.677 56.048 0.211 0.000 1.308 86 H CB -0.808 29.052 29.762 0.164 0.000 1.375 86 H HN 0.204 nan 8.280 nan 0.000 0.495 87 V N 0.730 120.910 119.914 0.442 0.000 2.233 87 V HA -0.305 3.841 4.120 0.044 0.000 0.247 87 V C 2.584 178.775 176.094 0.161 0.000 1.050 87 V CA 2.279 64.715 62.300 0.227 0.000 1.010 87 V CB -0.536 31.358 31.823 0.117 0.000 0.637 87 V HN 0.381 nan 8.190 nan 0.000 0.444 88 R N 0.683 121.275 120.500 0.153 0.000 2.094 88 R HA -0.218 4.148 4.340 0.044 0.000 0.239 88 R C 2.537 178.947 176.300 0.184 0.000 1.137 88 R CA 2.381 58.575 56.100 0.155 0.000 0.943 88 R CB -0.504 29.836 30.300 0.067 0.000 0.850 88 R HN 0.670 nan 8.270 nan 0.000 0.433 89 S N -0.900 114.890 115.700 0.149 0.000 2.453 89 S HA -0.164 4.332 4.470 0.044 0.000 0.231 89 S C 1.863 176.554 174.600 0.151 0.000 1.005 89 S CA 0.745 59.017 58.200 0.121 0.000 0.949 89 S CB -0.475 62.764 63.200 0.065 0.000 0.774 89 S HN 0.580 nan 8.310 nan 0.000 0.510 90 Y N 2.822 123.171 120.300 0.082 0.000 2.206 90 Y HA 0.109 4.686 4.550 0.044 0.000 0.292 90 Y C 2.002 177.902 175.900 0.000 0.000 1.123 90 Y CA 1.268 59.403 58.100 0.059 0.000 1.142 90 Y CB -0.439 38.086 38.460 0.108 0.000 1.006 90 Y HN 0.373 nan 8.280 nan 0.000 0.518 91 I N -0.469 120.090 120.570 -0.019 0.000 2.756 91 I HA -0.132 4.064 4.170 0.044 0.000 0.262 91 I C 1.739 177.753 176.117 -0.173 0.000 1.225 91 I CA 1.523 62.710 61.300 -0.188 0.000 1.472 91 I CB -0.494 37.387 38.000 -0.198 0.000 1.094 91 I HN 0.213 nan 8.210 nan 0.000 0.454 92 E N 0.991 121.254 120.200 0.105 0.000 2.077 92 E HA -0.202 4.174 4.350 0.044 0.000 0.193 92 E C 2.219 178.818 176.600 -0.002 0.000 0.989 92 E CA 2.040 58.561 56.400 0.202 0.000 0.800 92 E CB -0.264 29.562 29.700 0.210 0.000 0.746 92 E HN 0.800 nan 8.360 nan 0.000 0.452 93 T N 0.006 114.490 114.554 -0.116 0.000 2.951 93 T HA -0.079 4.298 4.350 0.044 0.000 0.268 93 T C 1.914 176.495 174.700 -0.197 0.000 1.073 93 T CA 0.836 62.848 62.100 -0.147 0.000 1.134 93 T CB -0.066 68.707 68.868 -0.158 0.000 0.884 93 T HN 0.192 nan 8.240 nan 0.000 0.479 94 I N 0.715 121.105 120.570 -0.301 0.000 3.854 94 I HA 0.350 4.546 4.170 0.044 0.000 0.312 94 I C 1.545 177.553 176.117 -0.183 0.000 1.273 94 I CA 0.290 61.446 61.300 -0.240 0.000 1.298 94 I CB -0.506 37.328 38.000 -0.277 0.000 1.071 94 I HN 0.494 nan 8.210 nan 0.000 0.428 95 I N -0.730 119.715 120.570 -0.209 0.000 4.082 95 I HA 0.640 4.836 4.170 0.044 0.000 0.337 95 I C 0.798 176.867 176.117 -0.081 0.000 1.352 95 I CA 0.185 61.372 61.300 -0.188 0.000 1.097 95 I CB 0.212 38.020 38.000 -0.320 0.000 1.048 95 I HN 0.210 nan 8.210 nan 0.000 0.393 96 G N 1.785 110.575 108.800 -0.017 0.000 2.829 96 G HA2 -0.276 3.710 3.960 0.044 0.000 0.628 96 G HA3 -0.276 3.710 3.960 0.044 0.000 0.628 96 G C 0.408 175.435 174.900 0.213 0.000 1.412 96 G CA 0.033 45.177 45.100 0.073 0.000 0.864 96 G HN 0.578 nan 8.290 nan 0.000 0.544 97 T N -2.412 112.252 114.554 0.184 0.000 3.081 97 T HA 0.137 4.513 4.350 0.044 0.000 0.255 97 T C 1.118 175.923 174.700 0.175 0.000 1.113 97 T CA 1.165 63.370 62.100 0.174 0.000 1.082 97 T CB -0.142 68.771 68.868 0.075 0.000 0.939 97 T HN 1.025 nan 8.240 nan 0.000 0.506 98 H N 2.213 121.346 119.070 0.105 0.000 3.073 98 H HA 0.024 4.605 4.556 0.043 0.000 0.340 98 H C -0.346 175.046 175.328 0.106 0.000 1.054 98 H CA 0.406 56.502 56.048 0.079 0.000 1.372 98 H CB 0.448 30.245 29.762 0.058 0.000 1.314 98 H HN 0.313 nan 8.280 nan 0.000 0.603 99 R N 3.315 123.438 120.500 -0.628 0.000 2.310 99 R HA 0.199 4.566 4.340 0.044 0.000 0.324 99 R C -0.357 175.587 176.300 -0.593 0.000 0.955 99 R CA -0.687 55.152 56.100 -0.435 0.000 0.830 99 R CB 1.502 31.673 30.300 -0.214 0.000 1.154 99 R HN 0.418 nan 8.270 nan 0.000 0.458 100 S N 4.568 120.109 115.700 -0.264 0.000 2.510 100 S HA 0.178 4.674 4.470 0.044 0.000 0.279 100 S C -2.065 172.495 174.600 -0.067 0.000 1.284 100 S CA -1.017 57.124 58.200 -0.099 0.000 1.059 100 S CB 0.673 63.888 63.200 0.026 0.000 0.901 100 S HN 0.348 nan 8.310 nan 0.000 0.491 101 P HA 0.128 nan 4.420 nan 0.000 0.275 101 P C -0.326 176.937 177.300 -0.062 0.000 1.228 101 P CA -0.624 62.453 63.100 -0.039 0.000 0.786 101 P CB 0.327 32.033 31.700 0.010 0.000 0.927 102 V N 1.474 121.298 119.914 -0.150 0.000 2.963 102 V HA 0.138 4.285 4.120 0.044 0.000 0.306 102 V C 0.256 176.320 176.094 -0.049 0.000 1.077 102 V CA -0.418 61.770 62.300 -0.186 0.000 1.124 102 V CB -0.379 31.164 31.823 -0.466 0.000 0.987 102 V HN 0.260 nan 8.190 nan 0.000 0.487 103 L N 3.351 124.593 121.223 0.031 0.000 2.439 103 L HA 0.313 4.680 4.340 0.044 0.000 0.269 103 L C 0.887 177.911 176.870 0.256 0.000 1.179 103 L CA -0.168 54.747 54.840 0.125 0.000 0.828 103 L CB 1.034 43.171 42.059 0.131 0.000 1.106 103 L HN 0.934 nan 8.230 nan 0.000 0.467 104 T N -0.422 114.245 114.554 0.188 0.000 2.910 104 T HA 0.018 4.395 4.350 0.044 0.000 0.293 104 T C 0.810 175.514 174.700 0.006 0.000 1.015 104 T CA -0.474 61.750 62.100 0.206 0.000 1.094 104 T CB 0.897 69.861 68.868 0.159 0.000 0.968 104 T HN 0.496 nan 8.240 nan 0.000 0.521 105 Y N 1.923 121.934 120.300 -0.481 0.000 2.133 105 Y HA -0.372 4.203 4.550 0.042 0.000 0.279 105 Y C 2.386 177.884 175.900 -0.670 0.000 1.209 105 Y CA 2.102 59.474 58.100 -1.213 0.000 1.152 105 Y CB -0.515 37.097 38.460 -1.413 0.000 0.961 105 Y HN 0.816 nan 8.280 nan 0.000 0.512 106 H N -0.482 118.408 119.070 -0.299 0.000 2.436 106 H HA -0.072 4.497 4.556 0.021 0.000 0.294 106 H C 2.036 177.284 175.328 -0.133 0.000 1.048 106 H CA 1.523 57.437 56.048 -0.223 0.000 1.353 106 H CB -0.015 29.714 29.762 -0.055 0.000 1.414 106 H HN 0.613 nan 8.280 nan 0.000 0.536 107 Q N 0.695 120.502 119.800 0.013 0.000 2.079 107 Q HA -0.025 4.341 4.340 0.044 0.000 0.200 107 Q C 2.592 178.582 176.000 -0.016 0.000 0.974 107 Q CA 0.971 56.788 55.803 0.024 0.000 0.840 107 Q CB -0.171 28.598 28.738 0.052 0.000 0.898 107 Q HN 0.301 nan 8.270 nan 0.000 0.430 108 A N 1.402 124.186 122.820 -0.060 0.000 1.859 108 A HA -0.254 4.092 4.320 0.044 0.000 0.217 108 A C 2.451 179.961 177.584 -0.124 0.000 1.198 108 A CA 1.737 53.742 52.037 -0.054 0.000 0.629 108 A CB -1.314 17.660 19.000 -0.042 0.000 0.830 108 A HN 0.546 nan 8.150 nan 0.000 0.446 109 C N -1.266 117.870 119.300 -0.273 0.000 2.413 109 C HA -0.086 4.401 4.460 0.044 0.000 0.276 109 C C 2.668 177.653 174.990 -0.008 0.000 1.248 109 C CA 1.253 60.164 59.018 -0.177 0.000 1.742 109 C CB -1.363 26.229 27.740 -0.246 0.000 2.017 109 C HN 0.771 nan 8.230 nan 0.000 0.481 110 E N 0.365 120.553 120.200 -0.021 0.000 2.118 110 E HA -0.180 4.196 4.350 0.044 0.000 0.195 110 E C 1.677 178.217 176.600 -0.101 0.000 0.992 110 E CA 1.072 57.440 56.400 -0.055 0.000 0.804 110 E CB -0.054 29.652 29.700 0.011 0.000 0.741 110 E HN 0.651 nan 8.360 nan 0.000 0.458 111 L N 0.505 121.695 121.223 -0.056 0.000 2.558 111 L HA 0.125 4.492 4.340 0.044 0.000 0.225 111 L C 0.419 177.249 176.870 -0.066 0.000 1.128 111 L CA -0.318 54.494 54.840 -0.047 0.000 0.868 111 L CB -0.100 41.962 42.059 0.005 0.000 1.006 111 L HN 0.028 nan 8.230 nan 0.000 0.454 112 L N 1.360 122.540 121.223 -0.072 0.000 2.559 112 L HA -0.014 4.353 4.340 0.044 0.000 0.274 112 L C 0.722 177.545 176.870 -0.078 0.000 1.205 112 L CA -0.115 54.681 54.840 -0.073 0.000 0.907 112 L CB 0.013 42.028 42.059 -0.073 0.000 1.153 112 L HN 0.026 nan 8.230 nan 0.000 0.490 113 E N 3.097 123.254 120.200 -0.071 0.000 2.415 113 E HA -0.009 4.368 4.350 0.044 0.000 0.260 113 E C 0.777 177.346 176.600 -0.052 0.000 1.016 113 E CA 0.532 56.892 56.400 -0.066 0.000 0.924 113 E CB 0.608 30.277 29.700 -0.050 0.000 0.961 113 E HN 0.324 nan 8.360 nan 0.000 0.459 114 R N 2.124 122.575 120.500 -0.080 0.000 2.161 114 R HA 0.009 4.375 4.340 0.044 0.000 0.213 114 R C 1.387 177.677 176.300 -0.016 0.000 1.055 114 R CA 1.157 57.216 56.100 -0.069 0.000 0.996 114 R CB 0.199 30.389 30.300 -0.182 0.000 0.901 114 R HN 0.456 nan 8.270 nan 0.000 0.456 115 T N 0.192 114.733 114.554 -0.021 0.000 3.025 115 T HA -0.051 4.325 4.350 0.044 0.000 0.270 115 T C 0.752 175.459 174.700 0.011 0.000 1.126 115 T CA 1.086 63.184 62.100 -0.003 0.000 1.105 115 T CB 0.056 68.918 68.868 -0.010 0.000 0.884 115 T HN 0.065 nan 8.240 nan 0.000 0.522 116 T N 1.657 116.218 114.554 0.012 0.000 2.823 116 T HA 0.432 4.809 4.350 0.044 0.000 0.279 116 T C -0.016 174.696 174.700 0.020 0.000 0.998 116 T CA -0.477 61.631 62.100 0.012 0.000 0.994 116 T CB 1.527 70.395 68.868 0.001 0.000 0.960 116 T HN 0.199 nan 8.240 nan 0.000 0.448 117 S N 1.633 117.344 115.700 0.018 0.000 2.657 117 S HA -0.142 4.354 4.470 0.044 0.000 0.318 117 S C 1.456 176.051 174.600 -0.008 0.000 1.244 117 S CA 0.050 58.257 58.200 0.011 0.000 1.024 117 S CB -0.130 63.074 63.200 0.007 0.000 0.714 117 S HN 0.940 nan 8.310 nan 0.000 0.478 118 C N 4.685 123.970 119.300 -0.025 0.000 2.697 118 C HA 0.540 5.026 4.460 0.044 0.000 0.267 118 C C 1.354 176.274 174.990 -0.117 0.000 1.278 118 C CA 0.730 59.710 59.018 -0.064 0.000 1.708 118 C CB -2.112 25.589 27.740 -0.065 0.000 1.860 118 C HN 1.349 nan 8.230 nan 0.000 0.589 119 G N 0.950 109.670 108.800 -0.134 0.000 2.483 119 G HA2 -0.087 3.899 3.960 0.044 0.000 0.521 119 G HA3 -0.087 3.899 3.960 0.044 0.000 0.521 119 G C -2.627 172.077 174.900 -0.326 0.000 1.278 119 G CA 0.073 45.026 45.100 -0.245 0.000 0.965 119 G HN -0.013 nan 8.290 nan 0.000 0.504 120 P HA 0.318 nan 4.420 nan 0.000 0.281 120 P C 0.850 177.788 177.300 -0.603 0.000 1.291 120 P CA 0.313 63.038 63.100 -0.626 0.000 0.906 120 P CB 0.110 31.324 31.700 -0.810 0.000 1.388 121 F N -0.897 118.861 119.950 -0.320 0.000 2.653 121 F HA 0.300 4.853 4.527 0.042 0.000 0.304 121 F C 0.494 176.112 175.800 -0.304 0.000 1.092 121 F CA -0.395 57.405 58.000 -0.334 0.000 1.279 121 F CB 0.603 39.347 39.000 -0.426 0.000 1.044 121 F HN -0.361 nan 8.300 nan 0.000 0.564 122 V N 0.295 120.120 119.914 -0.149 0.000 3.012 122 V HA 0.322 4.469 4.120 0.044 0.000 0.307 122 V C -0.853 175.206 176.094 -0.059 0.000 1.166 122 V CA -0.959 61.265 62.300 -0.126 0.000 0.974 122 V CB 2.404 34.091 31.823 -0.227 0.000 1.040 122 V HN -0.151 nan 8.190 nan 0.000 0.428 123 Q N 1.489 121.320 119.800 0.052 0.000 2.245 123 Q HA 0.725 5.092 4.340 0.044 0.000 0.256 123 Q C 0.444 176.586 176.000 0.237 0.000 0.942 123 Q CA 0.836 56.711 55.803 0.119 0.000 0.896 123 Q CB 1.657 30.466 28.738 0.119 0.000 1.272 123 Q HN 1.308 nan 8.270 nan 0.000 0.442 124 G N 0.824 109.718 108.800 0.157 0.000 2.796 124 G HA2 -0.206 3.781 3.960 0.044 0.000 0.571 124 G HA3 -0.206 3.781 3.960 0.044 0.000 0.571 124 G C -0.531 174.476 174.900 0.177 0.000 1.370 124 G CA -0.569 44.638 45.100 0.178 0.000 0.856 124 G HN 0.499 nan 8.290 nan 0.000 0.538 125 L N -0.058 121.264 121.223 0.164 0.000 2.476 125 L HA 0.305 4.671 4.340 0.044 0.000 0.255 125 L C 2.072 179.077 176.870 0.225 0.000 1.218 125 L CA -0.414 54.510 54.840 0.140 0.000 0.819 125 L CB 0.237 42.357 42.059 0.102 0.000 1.119 125 L HN 0.737 nan 8.230 nan 0.000 0.485 126 K N 0.989 121.492 120.400 0.172 0.000 2.283 126 K HA -0.061 4.285 4.320 0.044 0.000 0.202 126 K C 1.817 178.656 176.600 0.398 0.000 1.048 126 K CA 1.108 57.549 56.287 0.256 0.000 0.948 126 K CB -0.229 32.368 32.500 0.163 0.000 0.742 126 K HN 0.919 nan 8.250 nan 0.000 0.458 127 G N 1.934 110.882 108.800 0.245 0.000 2.422 127 G HA2 -0.180 3.806 3.960 0.044 0.000 0.218 127 G HA3 -0.180 3.806 3.960 0.044 0.000 0.218 127 G C 0.760 175.804 174.900 0.240 0.000 1.140 127 G CA 0.470 45.693 45.100 0.204 0.000 0.775 127 G HN 0.218 nan 8.290 nan 0.000 0.545 128 D N -0.325 120.214 120.400 0.232 0.000 2.395 128 D HA 0.097 4.763 4.640 0.044 0.000 0.250 128 D C -0.134 176.073 176.300 -0.156 0.000 1.203 128 D CA 0.297 54.322 54.000 0.041 0.000 0.872 128 D CB -0.015 40.761 40.800 -0.041 0.000 0.941 128 D HN 0.522 nan 8.370 nan 0.000 0.504 129 Y N -1.789 118.640 120.300 0.215 0.000 2.926 129 Y HA 0.108 4.683 4.550 0.043 0.000 0.279 129 Y C -0.008 176.056 175.900 0.272 0.000 1.035 129 Y CA -0.980 57.279 58.100 0.264 0.000 1.268 129 Y CB 0.305 38.975 38.460 0.350 0.000 1.392 129 Y HN 0.059 nan 8.280 nan 0.000 0.585 130 W N 4.342 125.668 121.300 0.042 0.000 2.529 130 W HA 0.447 5.131 4.660 0.040 0.000 0.321 130 W C -1.463 174.986 176.519 -0.117 0.000 1.047 130 W CA -0.609 56.606 57.345 -0.216 0.000 1.216 130 W CB 1.497 30.731 29.460 -0.376 0.000 1.357 130 W HN 0.176 nan 8.180 nan 0.000 0.489 131 D N 3.933 123.989 120.400 -0.573 0.000 2.408 131 D HA 0.120 4.786 4.640 0.044 0.000 0.243 131 D C 0.832 176.690 176.300 -0.736 0.000 1.075 131 D CA -0.315 53.404 54.000 -0.468 0.000 0.832 131 D CB 1.739 42.381 40.800 -0.265 0.000 1.162 131 D HN 0.362 nan 8.370 nan 0.000 0.515 132 E N 1.180 121.147 120.200 -0.388 0.000 2.081 132 E HA -0.250 4.126 4.350 0.044 0.000 0.235 132 E C 0.339 176.778 176.600 -0.270 0.000 1.043 132 E CA 1.391 57.674 56.400 -0.195 0.000 0.924 132 E CB 0.107 29.798 29.700 -0.014 0.000 0.821 132 E HN 0.551 nan 8.360 nan 0.000 0.517 133 E N 1.636 121.724 120.200 -0.187 0.000 2.360 133 E HA 0.084 4.461 4.350 0.044 0.000 0.253 133 E C -0.838 175.638 176.600 -0.208 0.000 1.189 133 E CA -0.025 56.270 56.400 -0.175 0.000 1.252 133 E CB -0.156 29.490 29.700 -0.091 0.000 1.408 133 E HN 0.165 nan 8.360 nan 0.000 0.464 134 Q N 1.486 121.093 119.800 -0.322 0.000 2.340 134 Q HA 0.130 4.497 4.340 0.044 0.000 0.268 134 Q C 0.434 176.198 176.000 -0.393 0.000 1.031 134 Q CA -0.551 55.087 55.803 -0.276 0.000 0.804 134 Q CB 1.893 30.491 28.738 -0.234 0.000 1.286 134 Q HN 0.152 nan 8.270 nan 0.000 0.448 135 Q N 1.319 120.966 119.800 -0.255 0.000 2.173 135 Q HA -0.234 4.132 4.340 0.044 0.000 0.208 135 Q C 0.781 176.628 176.000 -0.256 0.000 0.989 135 Q CA 2.008 57.683 55.803 -0.213 0.000 0.872 135 Q CB 0.231 28.885 28.738 -0.140 0.000 0.909 135 Q HN 0.667 nan 8.270 nan 0.000 0.420 136 Q N -2.648 117.013 119.800 -0.232 0.000 2.926 136 Q HA 0.277 4.643 4.340 0.044 0.000 0.186 136 Q C -0.567 175.333 176.000 -0.168 0.000 1.066 136 Q CA -0.806 55.004 55.803 0.011 0.000 0.821 136 Q CB 0.160 29.054 28.738 0.260 0.000 2.959 136 Q HN 0.114 nan 8.270 nan 0.000 0.406 137 Y N 0.103 120.472 120.300 0.115 0.000 2.534 137 Y HA 0.443 5.016 4.550 0.038 0.000 0.329 137 Y C 0.563 176.535 175.900 0.120 0.000 1.154 137 Y CA 0.066 58.273 58.100 0.178 0.000 1.192 137 Y CB 2.259 40.863 38.460 0.240 0.000 1.275 137 Y HN 0.845 nan 8.280 nan 0.000 0.491 138 T N -1.696 113.058 114.554 0.333 0.000 2.633 138 T HA 0.804 5.181 4.350 0.044 0.000 0.262 138 T C 0.384 175.284 174.700 0.333 0.000 0.920 138 T CA -0.180 62.064 62.100 0.240 0.000 1.062 138 T CB 1.079 70.022 68.868 0.125 0.000 1.390 138 T HN 1.421 nan 8.240 nan 0.000 0.549 139 G N -0.522 108.436 108.800 0.263 0.000 2.645 139 G HA2 -0.202 3.784 3.960 0.044 0.000 0.239 139 G HA3 -0.202 3.784 3.960 0.044 0.000 0.239 139 G C 0.757 175.825 174.900 0.280 0.000 1.331 139 G CA 0.166 45.465 45.100 0.332 0.000 0.890 139 G HN 1.503 nan 8.290 nan 0.000 0.572 140 V N 0.155 120.253 119.914 0.307 0.000 2.407 140 V HA -0.125 4.021 4.120 0.044 0.000 0.248 140 V C 2.880 179.016 176.094 0.071 0.000 1.055 140 V CA 2.476 64.871 62.300 0.158 0.000 1.049 140 V CB -0.815 31.089 31.823 0.136 0.000 0.662 140 V HN 0.779 nan 8.190 nan 0.000 0.455 141 L N 1.546 122.728 121.223 -0.067 0.000 1.989 141 L HA -0.111 4.256 4.340 0.044 0.000 0.211 141 L C 2.532 179.391 176.870 -0.019 0.000 1.071 141 L CA 2.443 57.159 54.840 -0.207 0.000 0.749 141 L CB -1.315 40.355 42.059 -0.648 0.000 0.890 141 L HN 0.235 nan 8.230 nan 0.000 0.431 142 A N -0.720 122.157 122.820 0.095 0.000 1.986 142 A HA -0.290 4.056 4.320 0.044 0.000 0.220 142 A C 2.114 179.761 177.584 0.106 0.000 1.171 142 A CA 2.276 54.397 52.037 0.141 0.000 0.640 142 A CB -1.027 18.104 19.000 0.218 0.000 0.811 142 A HN 0.731 nan 8.150 nan 0.000 0.451 143 N N -1.943 116.818 118.700 0.101 0.000 2.109 143 N HA -0.148 4.618 4.740 0.044 0.000 0.188 143 N C 1.873 177.443 175.510 0.100 0.000 1.034 143 N CA 1.105 54.206 53.050 0.085 0.000 0.846 143 N CB -0.309 38.228 38.487 0.084 0.000 1.010 143 N HN 0.650 nan 8.380 nan 0.000 0.425 144 H N 1.490 120.560 119.070 -0.001 0.000 2.265 144 H HA -0.125 4.459 4.556 0.046 0.000 0.293 144 H C 1.896 177.235 175.328 0.018 0.000 1.089 144 H CA 1.701 57.746 56.048 -0.005 0.000 1.244 144 H CB -0.579 29.164 29.762 -0.032 0.000 1.355 144 H HN 0.131 nan 8.280 nan 0.000 0.485 145 L N -0.057 121.127 121.223 -0.064 0.000 1.989 145 L HA -0.175 4.191 4.340 0.044 0.000 0.211 145 L C 2.626 179.525 176.870 0.048 0.000 1.071 145 L CA 1.898 56.707 54.840 -0.051 0.000 0.749 145 L CB -0.573 41.495 42.059 0.014 0.000 0.890 145 L HN 0.398 nan 8.230 nan 0.000 0.431 146 E N -0.373 119.837 120.200 0.017 0.000 2.160 146 E HA -0.271 4.105 4.350 0.044 0.000 0.195 146 E C 2.271 178.856 176.600 -0.024 0.000 0.991 146 E CA 1.187 57.524 56.400 -0.105 0.000 0.810 146 E CB 0.010 29.639 29.700 -0.119 0.000 0.742 146 E HN 0.507 nan 8.360 nan 0.000 0.466 147 Q N -0.067 119.731 119.800 -0.004 0.000 2.020 147 Q HA -0.087 4.279 4.340 0.044 0.000 0.198 147 Q C 2.202 178.205 176.000 0.004 0.000 0.974 147 Q CA 1.289 57.094 55.803 0.003 0.000 0.829 147 Q CB -0.136 28.609 28.738 0.012 0.000 0.894 147 Q HN 0.245 nan 8.270 nan 0.000 0.433 148 A N 0.768 123.570 122.820 -0.031 0.000 1.927 148 A HA -0.243 4.103 4.320 0.044 0.000 0.220 148 A C 1.796 179.399 177.584 0.032 0.000 1.185 148 A CA 1.445 53.459 52.037 -0.038 0.000 0.639 148 A CB -1.237 17.689 19.000 -0.123 0.000 0.820 148 A HN 0.727 nan 8.150 nan 0.000 0.451 149 W N 0.687 121.934 121.300 -0.087 0.000 2.363 149 W HA -0.174 4.507 4.660 0.036 0.000 0.296 149 W C 1.013 177.489 176.519 -0.072 0.000 1.212 149 W CA 2.130 59.436 57.345 -0.064 0.000 1.260 149 W CB -0.250 29.142 29.460 -0.113 0.000 1.131 149 W HN 0.499 nan 8.180 nan 0.000 0.530 150 D N -0.554 119.889 120.400 0.073 0.000 2.183 150 D HA -0.120 4.546 4.640 0.044 0.000 0.205 150 D C 2.234 178.497 176.300 -0.061 0.000 0.962 150 D CA 1.119 55.117 54.000 -0.004 0.000 0.849 150 D CB -0.154 40.661 40.800 0.025 0.000 0.978 150 D HN -0.017 nan 8.370 nan 0.000 0.488 151 K N 0.765 121.136 120.400 -0.048 0.000 2.063 151 K HA -0.080 4.266 4.320 0.044 0.000 0.208 151 K C 2.094 178.636 176.600 -0.096 0.000 1.048 151 K CA 1.201 57.453 56.287 -0.060 0.000 0.928 151 K CB -0.175 32.300 32.500 -0.042 0.000 0.713 151 K HN 0.088 nan 8.250 nan 0.000 0.442 152 A N 1.861 124.601 122.820 -0.134 0.000 1.969 152 A HA -0.120 4.226 4.320 0.044 0.000 0.218 152 A C 1.841 179.284 177.584 -0.236 0.000 1.169 152 A CA 1.128 53.054 52.037 -0.186 0.000 0.635 152 A CB -0.346 18.515 19.000 -0.232 0.000 0.810 152 A HN 0.261 nan 8.150 nan 0.000 0.445 153 N N -0.875 117.658 118.700 -0.278 0.000 2.512 153 N HA -0.065 4.702 4.740 0.044 0.000 0.183 153 N C 0.888 176.286 175.510 -0.185 0.000 1.073 153 N CA 0.865 53.760 53.050 -0.259 0.000 0.911 153 N CB 0.084 38.427 38.487 -0.240 0.000 0.964 153 N HN 0.424 nan 8.380 nan 0.000 0.447 154 K N -0.633 119.682 120.400 -0.142 0.000 2.537 154 K HA 0.198 4.545 4.320 0.044 0.000 0.206 154 K C 0.684 177.225 176.600 -0.100 0.000 1.041 154 K CA 0.181 56.403 56.287 -0.108 0.000 1.090 154 K CB 0.088 32.542 32.500 -0.077 0.000 0.833 154 K HN 0.073 nan 8.250 nan 0.000 0.493 155 G N 0.810 109.539 108.800 -0.118 0.000 2.245 155 G HA2 -0.293 3.693 3.960 0.044 0.000 0.264 155 G HA3 -0.293 3.693 3.960 0.044 0.000 0.264 155 G C 0.066 174.921 174.900 -0.074 0.000 0.985 155 G CA 0.353 45.395 45.100 -0.096 0.000 0.625 155 G HN 0.273 nan 8.290 nan 0.000 0.536 156 I N 2.697 123.225 120.570 -0.070 0.000 2.372 156 I HA 0.518 4.715 4.170 0.044 0.000 0.298 156 I C 1.155 177.241 176.117 -0.051 0.000 1.137 156 I CA 0.560 61.829 61.300 -0.052 0.000 1.314 156 I CB 0.522 38.496 38.000 -0.043 0.000 1.444 156 I HN 0.448 nan 8.210 nan 0.000 0.541 157 A N 9.369 132.165 122.820 -0.040 0.000 2.407 157 A HA 0.566 4.912 4.320 0.044 0.000 0.248 157 A C -1.885 175.691 177.584 -0.012 0.000 1.082 157 A CA -0.996 51.022 52.037 -0.031 0.000 0.785 157 A CB -0.417 18.572 19.000 -0.018 0.000 1.020 157 A HN 0.509 nan 8.150 nan 0.000 0.489 158 P HA 0.259 nan 4.420 nan 0.000 0.275 158 P C -0.667 176.663 177.300 0.050 0.000 1.270 158 P CA -0.323 62.789 63.100 0.020 0.000 0.791 158 P CB 0.528 32.233 31.700 0.008 0.000 1.089 159 R N 0.242 120.800 120.500 0.097 0.000 2.312 159 R HA 0.235 4.601 4.340 0.044 0.000 0.311 159 R C 0.397 176.749 176.300 0.087 0.000 1.004 159 R CA -0.481 55.695 56.100 0.127 0.000 0.902 159 R CB 0.079 30.512 30.300 0.221 0.000 1.073 159 R HN 0.331 nan 8.270 nan 0.000 0.457 160 N N 1.925 120.673 118.700 0.080 0.000 2.892 160 N HA 0.101 4.868 4.740 0.044 0.000 0.300 160 N C -1.434 174.076 175.510 -0.001 0.000 1.211 160 N CA 0.065 53.138 53.050 0.039 0.000 1.158 160 N CB 0.289 38.859 38.487 0.139 0.000 1.455 160 N HN 0.593 nan 8.380 nan 0.000 0.524 161 A N 1.936 124.600 122.820 -0.260 0.000 2.356 161 A HA 0.752 5.099 4.320 0.044 0.000 0.323 161 A C -1.385 175.811 177.584 -0.646 0.000 1.119 161 A CA -0.480 51.464 52.037 -0.154 0.000 0.790 161 A CB 0.928 19.942 19.000 0.024 0.000 1.273 161 A HN 0.436 nan 8.150 nan 0.000 0.452 162 Y N 0.020 120.420 120.300 0.167 0.000 2.544 162 Y HA 0.487 5.064 4.550 0.045 0.000 0.342 162 Y C 0.030 175.960 175.900 0.051 0.000 1.062 162 Y CA -0.943 57.235 58.100 0.131 0.000 1.023 162 Y CB 2.052 40.752 38.460 0.399 0.000 1.308 162 Y HN 0.506 nan 8.280 nan 0.000 0.457 163 K N 3.586 124.050 120.400 0.106 0.000 2.347 163 K HA 0.399 4.745 4.320 0.044 0.000 0.262 163 K C -1.211 175.367 176.600 -0.037 0.000 1.052 163 K CA -0.285 56.004 56.287 0.003 0.000 0.946 163 K CB 0.171 32.632 32.500 -0.065 0.000 1.220 163 K HN 0.753 nan 8.250 nan 0.000 0.450 164 L N 2.838 123.980 121.223 -0.134 0.000 2.453 164 L HA 0.194 4.561 4.340 0.044 0.000 0.272 164 L C 0.664 177.413 176.870 -0.202 0.000 1.182 164 L CA 0.101 54.749 54.840 -0.320 0.000 0.858 164 L CB 0.883 42.666 42.059 -0.462 0.000 1.120 164 L HN 0.684 nan 8.230 nan 0.000 0.474 165 A N 3.928 126.627 122.820 -0.202 0.000 2.566 165 A HA 0.862 5.209 4.320 0.044 0.000 0.291 165 A C -1.244 176.273 177.584 -0.112 0.000 1.278 165 A CA -0.606 51.363 52.037 -0.113 0.000 0.711 165 A CB 1.298 20.265 19.000 -0.056 0.000 1.332 165 A HN 0.531 nan 8.150 nan 0.000 0.478 166 L N 1.045 122.236 121.223 -0.053 0.000 2.442 166 L HA 0.336 4.703 4.340 0.044 0.000 0.261 166 L C -0.511 176.352 176.870 -0.011 0.000 1.000 166 L CA -0.525 54.294 54.840 -0.036 0.000 0.882 166 L CB 1.473 43.523 42.059 -0.015 0.000 1.207 166 L HN 0.729 nan 8.230 nan 0.000 0.443 167 K N 1.936 122.334 120.400 -0.003 0.000 2.404 167 K HA -0.142 4.204 4.320 0.044 0.000 0.271 167 K C -0.107 176.496 176.600 0.005 0.000 1.130 167 K CA 0.461 56.755 56.287 0.012 0.000 1.181 167 K CB 0.157 32.673 32.500 0.026 0.000 0.840 167 K HN 0.348 nan 8.250 nan 0.000 0.483 168 D N 4.888 125.297 120.400 0.016 0.000 2.365 168 D HA 0.049 4.715 4.640 0.044 0.000 0.237 168 D C -0.333 176.019 176.300 0.087 0.000 1.190 168 D CA -0.147 53.869 54.000 0.026 0.000 0.867 168 D CB 0.397 41.207 40.800 0.016 0.000 1.050 168 D HN 0.536 nan 8.370 nan 0.000 0.491 169 E N 1.958 122.142 120.200 -0.027 0.000 2.408 169 E HA 0.380 4.757 4.350 0.044 0.000 0.266 169 E C -1.136 175.198 176.600 -0.442 0.000 1.025 169 E CA -0.957 55.368 56.400 -0.125 0.000 0.881 169 E CB 0.360 30.035 29.700 -0.042 0.000 1.660 169 E HN 0.166 nan 8.360 nan 0.000 0.458 170 L N 1.107 122.029 121.223 -0.502 0.000 2.272 170 L HA 0.559 4.925 4.340 0.044 0.000 0.289 170 L C 0.077 176.863 176.870 -0.140 0.000 1.032 170 L CA -0.560 53.985 54.840 -0.492 0.000 0.810 170 L CB 0.768 42.441 42.059 -0.642 0.000 1.205 170 L HN 0.317 nan 8.230 nan 0.000 0.422 171 R N 2.220 122.610 120.500 -0.184 0.000 2.892 171 R HA 0.623 4.989 4.340 0.044 0.000 0.265 171 R C -2.676 173.386 176.300 -0.397 0.000 1.025 171 R CA -2.368 53.605 56.100 -0.211 0.000 0.982 171 R CB 1.107 31.302 30.300 -0.175 0.000 1.185 171 R HN 0.201 nan 8.270 nan 0.000 0.484 172 P HA 0.094 nan 4.420 nan 0.000 0.266 172 P C 0.821 177.990 177.300 -0.219 0.000 1.195 172 P CA 0.218 63.019 63.100 -0.499 0.000 0.768 172 P CB 0.442 31.918 31.700 -0.374 0.000 0.838 173 I N 2.404 122.906 120.570 -0.114 0.000 2.179 173 I HA -0.321 3.876 4.170 0.044 0.000 0.242 173 I C 2.208 178.323 176.117 -0.004 0.000 1.088 173 I CA 1.767 63.064 61.300 -0.004 0.000 1.357 173 I CB -0.755 37.281 38.000 0.061 0.000 1.051 173 I HN 0.441 nan 8.210 nan 0.000 0.409 174 E N 1.743 121.930 120.200 -0.022 0.000 2.169 174 E HA -0.290 4.086 4.350 0.044 0.000 0.202 174 E C 1.896 178.465 176.600 -0.051 0.000 1.016 174 E CA 1.672 58.060 56.400 -0.020 0.000 0.817 174 E CB -0.449 29.236 29.700 -0.024 0.000 0.736 174 E HN 0.434 nan 8.360 nan 0.000 0.462 175 K N -0.267 120.076 120.400 -0.094 0.000 2.137 175 K HA 0.057 4.403 4.320 0.044 0.000 0.202 175 K C 1.682 178.171 176.600 -0.185 0.000 1.052 175 K CA 0.877 57.089 56.287 -0.125 0.000 0.961 175 K CB -0.004 32.415 32.500 -0.135 0.000 0.741 175 K HN 0.063 nan 8.250 nan 0.000 0.452 176 N N 1.300 119.886 118.700 -0.191 0.000 2.309 176 N HA -0.094 4.672 4.740 0.044 0.000 0.182 176 N C 1.220 176.451 175.510 -0.465 0.000 1.018 176 N CA 1.079 53.935 53.050 -0.322 0.000 0.876 176 N CB 0.105 38.475 38.487 -0.196 0.000 0.972 176 N HN 0.155 nan 8.380 nan 0.000 0.434 177 K N 0.519 120.829 120.400 -0.151 0.000 2.007 177 K HA 0.125 4.471 4.320 0.044 0.000 0.206 177 K C 1.316 177.904 176.600 -0.021 0.000 1.047 177 K CA 1.082 57.390 56.287 0.035 0.000 0.937 177 K CB -0.101 32.482 32.500 0.138 0.000 0.718 177 K HN 0.047 nan 8.250 nan 0.000 0.438 178 A N 1.078 123.845 122.820 -0.089 0.000 2.081 178 A HA 0.127 4.473 4.320 0.044 0.000 0.213 178 A C 1.220 178.659 177.584 -0.242 0.000 1.374 178 A CA 0.800 52.781 52.037 -0.093 0.000 1.203 178 A CB -1.544 17.413 19.000 -0.072 0.000 0.786 178 A HN 0.515 nan 8.150 nan 0.000 0.535 179 G N -0.565 107.896 108.800 -0.566 0.000 2.200 179 G HA2 -0.334 3.652 3.960 0.044 0.000 0.267 179 G HA3 -0.334 3.652 3.960 0.044 0.000 0.267 179 G C 0.275 174.766 174.900 -0.680 0.000 0.993 179 G CA 0.996 45.428 45.100 -1.114 0.000 0.701 179 G HN 0.667 nan 8.290 nan 0.000 0.524 180 K N 0.200 120.332 120.400 -0.446 0.000 2.276 180 K HA 0.515 4.861 4.320 0.044 0.000 0.285 180 K C 0.569 177.027 176.600 -0.237 0.000 1.062 180 K CA -0.367 55.761 56.287 -0.265 0.000 0.918 180 K CB 0.968 33.365 32.500 -0.170 0.000 1.055 180 K HN 0.289 nan 8.250 nan 0.000 0.477 181 R N 1.987 122.385 120.500 -0.171 0.000 2.778 181 R HA 0.359 4.725 4.340 0.044 0.000 0.277 181 R C -0.669 175.602 176.300 -0.049 0.000 0.977 181 R CA -0.877 55.158 56.100 -0.108 0.000 0.950 181 R CB 1.395 31.640 30.300 -0.091 0.000 1.165 181 R HN 0.471 nan 8.270 nan 0.000 0.474 182 R N 2.240 122.728 120.500 -0.020 0.000 2.349 182 R HA 0.309 4.675 4.340 0.044 0.000 0.299 182 R C -0.412 175.911 176.300 0.038 0.000 1.027 182 R CA -0.414 55.706 56.100 0.033 0.000 0.958 182 R CB 0.830 31.159 30.300 0.047 0.000 1.047 182 R HN 0.411 nan 8.270 nan 0.000 0.468 183 L N 3.391 124.663 121.223 0.081 0.000 2.436 183 L HA 0.286 4.653 4.340 0.044 0.000 0.265 183 L C -0.335 176.577 176.870 0.071 0.000 1.168 183 L CA -0.442 54.403 54.840 0.010 0.000 0.815 183 L CB 0.473 42.524 42.059 -0.013 0.000 1.109 183 L HN 0.367 nan 8.230 nan 0.000 0.462 184 L N 1.575 122.767 121.223 -0.052 0.000 2.356 184 L HA 0.444 4.810 4.340 0.044 0.000 0.277 184 L C -1.632 175.213 176.870 -0.042 0.000 0.996 184 L CA 0.067 54.938 54.840 0.052 0.000 0.822 184 L CB 1.474 43.550 42.059 0.027 0.000 1.256 184 L HN 0.346 nan 8.230 nan 0.000 0.413 185 W N 4.664 125.944 121.300 -0.033 0.000 2.298 185 W HA 0.617 5.303 4.660 0.043 0.000 0.327 185 W C 0.732 177.325 176.519 0.123 0.000 0.988 185 W CA -0.903 56.428 57.345 -0.024 0.000 1.448 185 W CB 1.433 30.702 29.460 -0.319 0.000 1.243 185 W HN 0.732 nan 8.180 nan 0.000 0.388 186 G N 1.963 110.915 108.800 0.254 0.000 2.354 186 G HA2 0.255 4.241 3.960 0.044 0.000 0.266 186 G HA3 0.255 4.241 3.960 0.044 0.000 0.266 186 G C -0.500 174.538 174.900 0.230 0.000 1.242 186 G CA -0.225 44.985 45.100 0.184 0.000 0.923 186 G HN 0.612 nan 8.290 nan 0.000 0.476 187 C N 3.652 123.055 119.300 0.171 0.000 2.350 187 C HA 0.390 4.876 4.460 0.044 0.000 0.348 187 C C 0.563 175.467 174.990 -0.142 0.000 1.260 187 C CA -0.957 58.069 59.018 0.013 0.000 1.966 187 C CB 0.543 28.343 27.740 0.099 0.000 2.380 187 C HN 0.834 nan 8.230 nan 0.000 0.535 188 D N 3.781 124.003 120.400 -0.296 0.000 2.554 188 D HA 0.075 4.742 4.640 0.044 0.000 0.251 188 D C 1.102 177.345 176.300 -0.094 0.000 1.213 188 D CA 0.931 54.793 54.000 -0.229 0.000 0.900 188 D CB 0.874 41.528 40.800 -0.243 0.000 1.135 188 D HN 0.722 nan 8.370 nan 0.000 0.522 189 A N 4.428 127.213 122.820 -0.059 0.000 1.986 189 A HA -0.133 4.213 4.320 0.044 0.000 0.220 189 A C 2.211 179.757 177.584 -0.063 0.000 1.171 189 A CA 2.131 54.129 52.037 -0.065 0.000 0.640 189 A CB -0.730 18.212 19.000 -0.097 0.000 0.811 189 A HN 0.744 nan 8.150 nan 0.000 0.451 190 A N -1.365 121.428 122.820 -0.045 0.000 1.930 190 A HA -0.043 4.303 4.320 0.044 0.000 0.217 190 A C 2.304 179.859 177.584 -0.048 0.000 1.175 190 A CA 2.189 54.141 52.037 -0.143 0.000 0.627 190 A CB -1.023 17.728 19.000 -0.415 0.000 0.815 190 A HN 0.432 nan 8.150 nan 0.000 0.443 191 T N -0.057 114.481 114.554 -0.027 0.000 2.770 191 T HA -0.086 4.290 4.350 0.044 0.000 0.263 191 T C 1.980 176.687 174.700 0.011 0.000 1.039 191 T CA 1.833 63.927 62.100 -0.010 0.000 1.142 191 T CB -0.552 68.291 68.868 -0.041 0.000 0.868 191 T HN 0.577 nan 8.240 nan 0.000 0.435 192 T N 2.476 117.021 114.554 -0.015 0.000 2.849 192 T HA -0.030 4.346 4.350 0.044 0.000 0.270 192 T C 1.870 176.572 174.700 0.003 0.000 1.066 192 T CA 0.746 62.835 62.100 -0.019 0.000 1.130 192 T CB -0.351 68.483 68.868 -0.055 0.000 0.864 192 T HN 0.190 nan 8.240 nan 0.000 0.481 193 L N 0.546 121.778 121.223 0.015 0.000 2.068 193 L HA 0.080 4.446 4.340 0.044 0.000 0.204 193 L C 2.068 179.026 176.870 0.146 0.000 1.076 193 L CA 1.276 56.154 54.840 0.065 0.000 0.753 193 L CB -0.342 41.749 42.059 0.052 0.000 0.910 193 L HN 0.064 nan 8.230 nan 0.000 0.439 194 I N 0.588 121.221 120.570 0.106 0.000 2.226 194 I HA -0.215 3.981 4.170 0.044 0.000 0.245 194 I C 2.781 178.902 176.117 0.006 0.000 1.100 194 I CA 1.419 62.745 61.300 0.043 0.000 1.374 194 I CB -2.011 35.972 38.000 -0.028 0.000 1.057 194 I HN 0.382 nan 8.210 nan 0.000 0.413 195 A N 0.677 123.548 122.820 0.086 0.000 1.883 195 A HA -0.220 4.126 4.320 0.044 0.000 0.217 195 A C 2.464 180.247 177.584 0.331 0.000 1.186 195 A CA 2.571 54.727 52.037 0.199 0.000 0.624 195 A CB -1.184 18.069 19.000 0.422 0.000 0.822 195 A HN 0.407 nan 8.150 nan 0.000 0.444 196 T N 0.369 115.148 114.554 0.374 0.000 2.635 196 T HA -0.130 4.246 4.350 0.044 0.000 0.267 196 T C 2.192 177.023 174.700 0.218 0.000 1.040 196 T CA 1.976 64.330 62.100 0.424 0.000 1.156 196 T CB -0.546 68.455 68.868 0.222 0.000 0.863 196 T HN 0.643 nan 8.240 nan 0.000 0.430 197 A N 1.018 123.923 122.820 0.141 0.000 1.972 197 A HA 0.150 4.496 4.320 0.044 0.000 0.219 197 A C 2.533 180.060 177.584 -0.095 0.000 1.169 197 A CA 1.863 53.958 52.037 0.096 0.000 0.635 197 A CB -0.845 18.277 19.000 0.204 0.000 0.810 197 A HN 0.533 nan 8.150 nan 0.000 0.446 198 A N -1.810 120.847 122.820 -0.271 0.000 1.903 198 A HA 0.299 4.645 4.320 0.044 0.000 0.213 198 A C 1.648 178.892 177.584 -0.567 0.000 1.185 198 A CA 1.387 53.044 52.037 -0.633 0.000 0.628 198 A CB -0.291 17.976 19.000 -1.222 0.000 0.830 198 A HN 0.459 nan 8.150 nan 0.000 0.446 199 F N -1.294 118.582 119.950 -0.124 0.000 2.711 199 F HA 0.253 4.809 4.527 0.049 0.000 0.296 199 F C 1.685 177.227 175.800 -0.429 0.000 1.096 199 F CA 0.175 57.963 58.000 -0.352 0.000 1.280 199 F CB -0.275 38.360 39.000 -0.608 0.000 1.060 199 F HN 0.066 nan 8.300 nan 0.000 0.608 200 K N 1.808 122.151 120.400 -0.096 0.000 2.127 200 K HA -0.250 4.096 4.320 0.044 0.000 0.212 200 K C 2.067 178.670 176.600 0.004 0.000 1.050 200 K CA 1.893 58.203 56.287 0.038 0.000 0.929 200 K CB -0.583 32.045 32.500 0.213 0.000 0.715 200 K HN 0.179 nan 8.250 nan 0.000 0.457 201 A N -0.251 122.577 122.820 0.013 0.000 1.902 201 A HA -0.103 4.243 4.320 0.044 0.000 0.217 201 A C 2.299 179.886 177.584 0.004 0.000 1.181 201 A CA 1.864 53.914 52.037 0.022 0.000 0.623 201 A CB -0.650 18.372 19.000 0.036 0.000 0.818 201 A HN 0.145 nan 8.150 nan 0.000 0.443 202 V N -0.141 119.768 119.914 -0.008 0.000 2.244 202 V HA -0.207 3.939 4.120 0.044 0.000 0.244 202 V C 3.045 179.073 176.094 -0.109 0.000 1.042 202 V CA 1.821 64.096 62.300 -0.042 0.000 1.006 202 V CB -1.483 30.341 31.823 0.000 0.000 0.641 202 V HN 0.591 nan 8.190 nan 0.000 0.446 203 A N -0.439 122.284 122.820 -0.162 0.000 1.997 203 A HA -0.300 4.046 4.320 0.044 0.000 0.221 203 A C 2.354 179.904 177.584 -0.056 0.000 1.172 203 A CA 2.765 54.718 52.037 -0.139 0.000 0.645 203 A CB -0.966 17.930 19.000 -0.174 0.000 0.813 203 A HN 0.531 nan 8.150 nan 0.000 0.454 204 T N -1.121 113.413 114.554 -0.033 0.000 2.851 204 T HA -0.050 4.326 4.350 0.044 0.000 0.262 204 T C 2.070 176.752 174.700 -0.030 0.000 1.043 204 T CA 0.958 63.053 62.100 -0.008 0.000 1.140 204 T CB -0.187 68.690 68.868 0.015 0.000 0.872 204 T HN 0.488 nan 8.240 nan 0.000 0.446 205 R N 0.665 121.136 120.500 -0.048 0.000 2.103 205 R HA -0.063 4.303 4.340 0.044 0.000 0.242 205 R C 2.362 178.601 176.300 -0.102 0.000 1.142 205 R CA 1.209 57.266 56.100 -0.072 0.000 0.960 205 R CB -0.720 29.527 30.300 -0.088 0.000 0.858 205 R HN 0.383 nan 8.270 nan 0.000 0.439 206 L N 0.640 121.790 121.223 -0.121 0.000 2.072 206 L HA -0.203 4.163 4.340 0.044 0.000 0.205 206 L C 2.707 179.537 176.870 -0.067 0.000 1.079 206 L CA 1.360 56.129 54.840 -0.119 0.000 0.752 206 L CB -0.423 41.555 42.059 -0.134 0.000 0.906 206 L HN 0.188 nan 8.230 nan 0.000 0.436 207 Q N -0.541 119.232 119.800 -0.045 0.000 2.230 207 Q HA -0.122 4.244 4.340 0.044 0.000 0.202 207 Q C 1.737 177.730 176.000 -0.013 0.000 0.963 207 Q CA 1.448 57.240 55.803 -0.018 0.000 0.866 207 Q CB -0.527 28.211 28.738 -0.000 0.000 0.931 207 Q HN 0.239 nan 8.270 nan 0.000 0.452 208 V N -0.104 119.796 119.914 -0.023 0.000 3.623 208 V HA 0.109 4.255 4.120 0.044 0.000 0.271 208 V C 0.917 176.999 176.094 -0.021 0.000 1.248 208 V CA 0.809 63.098 62.300 -0.019 0.000 1.156 208 V CB 0.767 32.578 31.823 -0.020 0.000 0.870 208 V HN 0.401 nan 8.190 nan 0.000 0.453 209 V N -1.136 118.765 119.914 -0.022 0.000 3.372 209 V HA 0.267 4.414 4.120 0.044 0.000 0.304 209 V C 0.915 177.008 176.094 -0.001 0.000 1.530 209 V CA 0.406 62.692 62.300 -0.023 0.000 1.080 209 V CB 0.850 32.642 31.823 -0.051 0.000 0.929 209 V HN 0.512 nan 8.190 nan 0.000 0.455 210 T N 3.688 118.249 114.554 0.012 0.000 2.928 210 T HA 0.164 4.541 4.350 0.044 0.000 0.305 210 T C -1.685 173.051 174.700 0.059 0.000 1.035 210 T CA -0.258 61.870 62.100 0.047 0.000 1.145 210 T CB 1.177 70.074 68.868 0.049 0.000 0.963 210 T HN 0.351 nan 8.240 nan 0.000 0.545 211 P HA 0.269 nan 4.420 nan 0.000 0.250 211 P C 0.828 178.249 177.300 0.202 0.000 1.808 211 P CA -0.194 63.008 63.100 0.170 0.000 1.117 211 P CB 0.180 31.982 31.700 0.170 0.000 1.602 212 M N -1.393 118.276 119.600 0.115 0.000 2.659 212 M HA 0.074 4.581 4.480 0.044 0.000 0.243 212 M C 0.407 176.767 176.300 0.101 0.000 1.111 212 M CA 1.013 56.373 55.300 0.101 0.000 1.070 212 M CB -0.424 32.202 32.600 0.043 0.000 1.525 212 M HN -0.087 nan 8.290 nan 0.000 0.517 213 T N 0.829 115.432 114.554 0.081 0.000 2.876 213 T HA 0.348 4.725 4.350 0.044 0.000 0.289 213 T C -2.065 172.657 174.700 0.037 0.000 1.014 213 T CA -1.208 60.931 62.100 0.065 0.000 0.986 213 T CB 2.390 71.239 68.868 -0.031 0.000 1.021 213 T HN -0.105 nan 8.240 nan 0.000 0.458 214 P HA 0.046 nan 4.420 nan 0.000 0.239 214 P C 0.110 177.405 177.300 -0.009 0.000 1.184 214 P CA 0.277 63.337 63.100 -0.067 0.000 0.760 214 P CB -0.051 31.571 31.700 -0.129 0.000 0.884 215 V N 0.654 120.553 119.914 -0.024 0.000 2.287 215 V HA 0.187 4.334 4.120 0.044 0.000 0.246 215 V C 1.725 177.821 176.094 0.004 0.000 1.165 215 V CA 0.287 62.564 62.300 -0.038 0.000 1.088 215 V CB -0.549 31.225 31.823 -0.081 0.000 1.242 215 V HN 0.093 nan 8.190 nan 0.000 0.497 216 A N 4.272 127.138 122.820 0.077 0.000 2.172 216 A HA 0.041 4.387 4.320 0.044 0.000 0.216 216 A C 1.124 178.740 177.584 0.054 0.000 1.154 216 A CA 0.215 52.361 52.037 0.182 0.000 0.701 216 A CB -0.293 18.998 19.000 0.484 0.000 0.789 216 A HN 0.601 nan 8.150 nan 0.000 0.465 217 V N 0.097 119.846 119.914 -0.274 0.000 2.644 217 V HA 0.253 4.399 4.120 0.044 0.000 0.303 217 V C 1.655 177.731 176.094 -0.031 0.000 1.058 217 V CA 1.265 63.348 62.300 -0.363 0.000 1.228 217 V CB -0.941 30.673 31.823 -0.348 0.000 0.861 217 V HN 1.192 nan 8.190 nan 0.000 0.484 218 G N 3.866 112.726 108.800 0.101 0.000 2.213 218 G HA2 -0.248 3.738 3.960 0.044 0.000 0.236 218 G HA3 -0.248 3.738 3.960 0.044 0.000 0.236 218 G C 0.238 175.195 174.900 0.094 0.000 0.991 218 G CA 0.024 45.177 45.100 0.088 0.000 0.629 218 G HN 0.827 nan 8.290 nan 0.000 0.517 219 I N 1.584 122.238 120.570 0.140 0.000 2.845 219 I HA 0.150 4.346 4.170 0.044 0.000 0.296 219 I C 0.317 176.479 176.117 0.075 0.000 1.216 219 I CA -0.167 61.204 61.300 0.118 0.000 1.438 219 I CB 0.410 38.523 38.000 0.187 0.000 1.342 219 I HN 0.194 nan 8.210 nan 0.000 0.577 220 N N 8.220 126.937 118.700 0.028 0.000 2.521 220 N HA 0.107 4.873 4.740 0.044 0.000 0.236 220 N C 0.468 175.980 175.510 0.004 0.000 1.067 220 N CA -0.371 52.673 53.050 -0.009 0.000 0.939 220 N CB 0.815 39.267 38.487 -0.058 0.000 1.201 220 N HN 0.590 nan 8.380 nan 0.000 0.511 221 M N 0.495 120.115 119.600 0.033 0.000 2.539 221 M HA -0.032 4.474 4.480 0.044 0.000 0.261 221 M C -0.169 176.192 176.300 0.101 0.000 1.069 221 M CA 0.892 56.224 55.300 0.053 0.000 1.081 221 M CB -0.208 32.421 32.600 0.049 0.000 1.412 221 M HN 0.355 nan 8.290 nan 0.000 0.482 222 D N 1.051 121.514 120.400 0.104 0.000 3.035 222 D HA 0.224 4.890 4.640 0.044 0.000 0.290 222 D C 0.180 176.470 176.300 -0.018 0.000 1.360 222 D CA 0.127 54.250 54.000 0.205 0.000 0.862 222 D CB 0.465 41.368 40.800 0.170 0.000 1.078 222 D HN 0.270 nan 8.370 nan 0.000 0.487 223 S N -2.414 113.158 115.700 -0.213 0.000 2.727 223 S HA 0.161 4.657 4.470 0.044 0.000 0.278 223 S C 0.663 174.912 174.600 -0.586 0.000 1.186 223 S CA -0.575 57.175 58.200 -0.748 0.000 0.836 223 S CB 1.544 64.510 63.200 -0.390 0.000 1.186 223 S HN -0.158 nan 8.310 nan 0.000 0.499 224 V N 1.585 121.167 119.914 -0.554 0.000 2.720 224 V HA -0.137 4.010 4.120 0.044 0.000 0.256 224 V C 2.303 178.361 176.094 -0.060 0.000 1.082 224 V CA 2.399 64.595 62.300 -0.174 0.000 1.101 224 V CB -1.216 30.540 31.823 -0.112 0.000 0.693 224 V HN 0.820 nan 8.190 nan 0.000 0.479 225 Q N -0.831 118.918 119.800 -0.085 0.000 2.181 225 Q HA -0.237 4.130 4.340 0.044 0.000 0.205 225 Q C 2.254 178.261 176.000 0.012 0.000 0.980 225 Q CA 1.961 57.752 55.803 -0.020 0.000 0.862 225 Q CB -0.314 28.415 28.738 -0.017 0.000 0.905 225 Q HN 0.609 nan 8.270 nan 0.000 0.429 226 M N 0.840 120.437 119.600 -0.004 0.000 2.132 226 M HA -0.197 4.309 4.480 0.044 0.000 0.263 226 M C 1.712 178.016 176.300 0.006 0.000 1.065 226 M CA 1.761 57.041 55.300 -0.033 0.000 1.122 226 M CB -0.279 32.256 32.600 -0.108 0.000 1.365 226 M HN 0.216 nan 8.290 nan 0.000 0.411 227 Q N -0.455 119.380 119.800 0.059 0.000 2.170 227 Q HA -0.121 4.245 4.340 0.044 0.000 0.203 227 Q C 2.147 178.213 176.000 0.109 0.000 0.976 227 Q CA 1.613 57.478 55.803 0.104 0.000 0.858 227 Q CB -0.386 28.438 28.738 0.144 0.000 0.907 227 Q HN 0.444 nan 8.270 nan 0.000 0.433 228 V N 1.369 121.335 119.914 0.086 0.000 2.223 228 V HA -0.313 3.834 4.120 0.044 0.000 0.244 228 V C 2.411 178.570 176.094 0.109 0.000 1.045 228 V CA 1.702 64.055 62.300 0.088 0.000 1.000 228 V CB -0.611 31.253 31.823 0.069 0.000 0.635 228 V HN 0.395 nan 8.190 nan 0.000 0.445 229 M N -0.001 119.650 119.600 0.085 0.000 2.147 229 M HA -0.346 4.160 4.480 0.044 0.000 0.253 229 M C 2.209 178.592 176.300 0.138 0.000 1.075 229 M CA 2.781 58.089 55.300 0.014 0.000 1.085 229 M CB -0.878 31.711 32.600 -0.019 0.000 1.305 229 M HN 0.515 nan 8.290 nan 0.000 0.409 230 N N 0.302 119.195 118.700 0.321 0.000 2.061 230 N HA -0.222 4.544 4.740 0.044 0.000 0.193 230 N C 1.213 176.815 175.510 0.154 0.000 1.030 230 N CA 2.266 55.507 53.050 0.317 0.000 0.856 230 N CB -0.290 38.456 38.487 0.431 0.000 1.023 230 N HN 0.364 nan 8.380 nan 0.000 0.424 231 D N -0.889 119.591 120.400 0.133 0.000 2.117 231 D HA -0.131 4.535 4.640 0.044 0.000 0.197 231 D C 1.880 178.234 176.300 0.090 0.000 0.987 231 D CA 1.744 55.802 54.000 0.098 0.000 0.829 231 D CB -0.330 40.522 40.800 0.087 0.000 0.961 231 D HN 0.371 nan 8.370 nan 0.000 0.460 232 S N -0.460 115.310 115.700 0.116 0.000 2.465 232 S HA -0.142 4.354 4.470 0.044 0.000 0.241 232 S C 1.953 176.615 174.600 0.104 0.000 1.000 232 S CA 0.702 58.980 58.200 0.130 0.000 0.964 232 S CB -0.709 62.621 63.200 0.218 0.000 0.763 232 S HN 0.419 nan 8.310 nan 0.000 0.512 233 L N -0.180 121.087 121.223 0.074 0.000 2.418 233 L HA 0.215 4.581 4.340 0.044 0.000 0.218 233 L C 1.060 177.936 176.870 0.010 0.000 1.125 233 L CA 0.380 55.234 54.840 0.023 0.000 0.835 233 L CB -0.361 41.673 42.059 -0.041 0.000 0.953 233 L HN 0.115 nan 8.230 nan 0.000 0.454 234 K N 0.956 121.371 120.400 0.025 0.000 2.383 234 K HA 0.291 4.637 4.320 0.044 0.000 0.286 234 K C 0.881 177.489 176.600 0.014 0.000 1.051 234 K CA 0.704 57.001 56.287 0.016 0.000 0.974 234 K CB 0.716 33.232 32.500 0.026 0.000 0.968 234 K HN 0.231 nan 8.250 nan 0.000 0.475 235 G N 2.157 110.959 108.800 0.003 0.000 2.278 235 G HA2 -0.190 3.796 3.960 0.044 0.000 0.210 235 G HA3 -0.190 3.796 3.960 0.044 0.000 0.210 235 G C 0.416 175.315 174.900 -0.000 0.000 1.000 235 G CA -0.361 44.741 45.100 0.004 0.000 0.635 235 G HN 0.827 nan 8.290 nan 0.000 0.495 236 G N -0.547 108.250 108.800 -0.006 0.000 2.502 236 G HA2 0.627 4.613 3.960 0.044 0.000 0.305 236 G HA3 0.627 4.613 3.960 0.044 0.000 0.305 236 G C -0.177 174.698 174.900 -0.041 0.000 1.190 236 G CA 0.033 45.126 45.100 -0.012 0.000 0.933 236 G HN 0.867 nan 8.290 nan 0.000 0.503 237 V N 0.834 120.717 119.914 -0.052 0.000 2.461 237 V HA 0.267 4.413 4.120 0.044 0.000 0.275 237 V C -0.088 175.897 176.094 -0.182 0.000 1.047 237 V CA -0.487 61.739 62.300 -0.123 0.000 0.955 237 V CB 1.090 32.851 31.823 -0.103 0.000 0.988 237 V HN 0.544 nan 8.190 nan 0.000 0.471 238 L N 6.927 127.987 121.223 -0.272 0.000 2.282 238 L HA 0.557 4.923 4.340 0.044 0.000 0.288 238 L C -1.144 175.483 176.870 -0.405 0.000 1.033 238 L CA 0.007 54.705 54.840 -0.237 0.000 0.807 238 L CB 0.879 42.828 42.059 -0.183 0.000 1.209 238 L HN 0.532 nan 8.230 nan 0.000 0.423 239 Y N 3.576 123.783 120.300 -0.156 0.000 2.350 239 Y HA 0.515 5.091 4.550 0.044 0.000 0.338 239 Y C -0.224 175.595 175.900 -0.135 0.000 0.961 239 Y CA -0.422 57.598 58.100 -0.134 0.000 1.100 239 Y CB 1.792 40.153 38.460 -0.165 0.000 1.179 239 Y HN 0.530 nan 8.280 nan 0.000 0.454 240 C N 5.336 124.649 119.300 0.021 0.000 2.322 240 C HA 0.749 5.235 4.460 0.044 0.000 0.324 240 C C -0.392 174.602 174.990 0.007 0.000 1.284 240 C CA -1.156 57.844 59.018 -0.030 0.000 1.606 240 C CB -0.464 27.258 27.740 -0.031 0.000 2.251 240 C HN 0.633 nan 8.230 nan 0.000 0.502 241 L N 2.538 123.747 121.223 -0.023 0.000 2.401 241 L HA 0.576 4.942 4.340 0.044 0.000 0.266 241 L C -1.071 175.873 176.870 0.123 0.000 0.991 241 L CA -0.221 54.632 54.840 0.022 0.000 0.818 241 L CB 2.045 44.099 42.059 -0.009 0.000 1.321 241 L HN 0.539 nan 8.230 nan 0.000 0.413 242 D N 1.224 121.692 120.400 0.113 0.000 2.505 242 D HA 0.281 4.948 4.640 0.044 0.000 0.250 242 D C -1.093 175.326 176.300 0.198 0.000 1.164 242 D CA -0.223 53.880 54.000 0.172 0.000 0.870 242 D CB 0.838 41.693 40.800 0.091 0.000 1.160 242 D HN 0.192 nan 8.370 nan 0.000 0.549 243 Y N 1.776 122.119 120.300 0.072 0.000 2.377 243 Y HA 0.167 4.743 4.550 0.044 0.000 0.330 243 Y C 1.408 177.389 175.900 0.135 0.000 1.108 243 Y CA -0.330 57.849 58.100 0.131 0.000 1.308 243 Y CB 0.937 39.558 38.460 0.267 0.000 1.216 243 Y HN 0.212 nan 8.280 nan 0.000 0.518 244 S N 3.675 119.491 115.700 0.193 0.000 2.537 244 S HA -0.008 4.488 4.470 0.044 0.000 0.286 244 S C 0.411 175.111 174.600 0.166 0.000 1.299 244 S CA -0.312 57.969 58.200 0.135 0.000 1.067 244 S CB 0.098 63.334 63.200 0.059 0.000 0.864 244 S HN 0.617 nan 8.310 nan 0.000 0.494 245 K N 1.717 122.204 120.400 0.145 0.000 3.278 245 K HA -0.177 4.169 4.320 0.044 0.000 0.270 245 K C 0.603 177.281 176.600 0.130 0.000 0.955 245 K CA 0.526 56.882 56.287 0.115 0.000 0.723 245 K CB -1.343 31.184 32.500 0.045 0.000 1.382 245 K HN 0.834 nan 8.250 nan 0.000 0.461 246 W N 1.075 122.390 121.300 0.024 0.000 2.311 246 W HA -0.303 4.383 4.660 0.043 0.000 0.326 246 W C 1.225 177.713 176.519 -0.052 0.000 1.239 246 W CA 2.193 59.530 57.345 -0.014 0.000 1.258 246 W CB -0.204 29.263 29.460 0.012 0.000 1.165 246 W HN 0.403 nan 8.180 nan 0.000 0.466 247 D N 0.076 120.510 120.400 0.058 0.000 2.133 247 D HA -0.204 4.463 4.640 0.044 0.000 0.195 247 D C 2.178 178.299 176.300 -0.298 0.000 0.997 247 D CA 2.496 56.445 54.000 -0.084 0.000 0.840 247 D CB -0.708 40.153 40.800 0.101 0.000 0.947 247 D HN 0.234 nan 8.370 nan 0.000 0.452 248 S N -0.470 115.017 115.700 -0.355 0.000 2.593 248 S HA -0.009 4.488 4.470 0.044 0.000 0.217 248 S C 1.562 175.873 174.600 -0.481 0.000 0.966 248 S CA 0.770 58.544 58.200 -0.711 0.000 0.914 248 S CB -0.092 62.722 63.200 -0.644 0.000 0.776 248 S HN 0.260 nan 8.310 nan 0.000 0.523 249 T N -2.270 112.045 114.554 -0.398 0.000 3.054 249 T HA 0.239 4.615 4.350 0.044 0.000 0.255 249 T C 0.432 174.889 174.700 -0.404 0.000 1.035 249 T CA -0.422 61.467 62.100 -0.352 0.000 0.941 249 T CB -0.080 68.608 68.868 -0.299 0.000 1.026 249 T HN 0.123 nan 8.240 nan 0.000 0.533 250 Q N 2.764 122.285 119.800 -0.464 0.000 2.364 250 Q HA 0.253 4.620 4.340 0.044 0.000 0.267 250 Q C -0.271 175.629 176.000 -0.167 0.000 0.999 250 Q CA 0.115 55.706 55.803 -0.352 0.000 0.886 250 Q CB 0.437 28.968 28.738 -0.346 0.000 1.243 250 Q HN 0.391 nan 8.270 nan 0.000 0.415 251 N N 2.700 121.375 118.700 -0.043 0.000 2.419 251 N HA 0.181 4.947 4.740 0.044 0.000 0.277 251 N C -2.024 173.444 175.510 -0.070 0.000 1.006 251 N CA -1.911 51.113 53.050 -0.044 0.000 0.923 251 N CB 1.498 39.986 38.487 0.002 0.000 1.140 251 N HN 0.052 nan 8.380 nan 0.000 0.488 252 P HA -0.150 nan 4.420 nan 0.000 0.217 252 P C 0.777 178.040 177.300 -0.062 0.000 1.151 252 P CA 1.564 64.631 63.100 -0.056 0.000 0.849 252 P CB 0.263 31.937 31.700 -0.042 0.000 0.787 253 A N -1.058 121.719 122.820 -0.070 0.000 1.929 253 A HA -0.112 4.234 4.320 0.044 0.000 0.216 253 A C 2.298 179.810 177.584 -0.119 0.000 1.176 253 A CA 1.481 53.468 52.037 -0.082 0.000 0.628 253 A CB -1.531 17.421 19.000 -0.080 0.000 0.816 253 A HN 0.027 nan 8.150 nan 0.000 0.444 254 V N -0.027 119.789 119.914 -0.164 0.000 2.261 254 V HA -0.234 3.912 4.120 0.044 0.000 0.246 254 V C 2.765 178.766 176.094 -0.154 0.000 1.047 254 V CA 2.513 64.668 62.300 -0.241 0.000 1.015 254 V CB -1.441 30.130 31.823 -0.421 0.000 0.642 254 V HN 0.609 nan 8.190 nan 0.000 0.446 255 T N 0.766 115.257 114.554 -0.105 0.000 2.665 255 T HA -0.252 4.125 4.350 0.044 0.000 0.268 255 T C 2.081 176.747 174.700 -0.056 0.000 1.035 255 T CA 1.813 63.874 62.100 -0.064 0.000 1.151 255 T CB -0.615 68.223 68.868 -0.049 0.000 0.862 255 T HN 0.573 nan 8.240 nan 0.000 0.438 256 A N 1.721 124.509 122.820 -0.054 0.000 1.892 256 A HA 0.029 4.375 4.320 0.044 0.000 0.218 256 A C 2.697 180.251 177.584 -0.050 0.000 1.188 256 A CA 2.211 54.224 52.037 -0.040 0.000 0.631 256 A CB -1.319 17.658 19.000 -0.038 0.000 0.822 256 A HN 0.556 nan 8.150 nan 0.000 0.447 257 A N -0.634 122.143 122.820 -0.071 0.000 1.845 257 A HA -0.102 4.245 4.320 0.044 0.000 0.215 257 A C 2.432 179.977 177.584 -0.066 0.000 1.195 257 A CA 2.219 54.214 52.037 -0.071 0.000 0.616 257 A CB -1.200 17.744 19.000 -0.093 0.000 0.832 257 A HN 0.495 nan 8.150 nan 0.000 0.443 258 S N 0.015 115.670 115.700 -0.075 0.000 2.381 258 S HA -0.245 4.251 4.470 0.044 0.000 0.230 258 S C 1.810 176.350 174.600 -0.102 0.000 1.052 258 S CA 1.914 60.071 58.200 -0.072 0.000 1.068 258 S CB -0.652 62.512 63.200 -0.060 0.000 0.918 258 S HN 0.474 nan 8.310 nan 0.000 0.448 259 L N 0.793 121.954 121.223 -0.103 0.000 2.083 259 L HA -0.131 4.235 4.340 0.044 0.000 0.209 259 L C 2.690 179.509 176.870 -0.086 0.000 1.083 259 L CA 1.180 55.935 54.840 -0.140 0.000 0.752 259 L CB -0.584 41.445 42.059 -0.050 0.000 0.899 259 L HN 0.348 nan 8.230 nan 0.000 0.433 260 A N 0.055 122.849 122.820 -0.043 0.000 1.897 260 A HA -0.134 4.213 4.320 0.044 0.000 0.215 260 A C 2.232 179.791 177.584 -0.041 0.000 1.181 260 A CA 1.196 53.218 52.037 -0.024 0.000 0.620 260 A CB -0.569 18.414 19.000 -0.028 0.000 0.821 260 A HN 0.302 nan 8.150 nan 0.000 0.443 261 I N -0.136 120.408 120.570 -0.043 0.000 2.118 261 I HA -0.329 3.867 4.170 0.044 0.000 0.241 261 I C 2.443 178.582 176.117 0.037 0.000 1.070 261 I CA 1.508 62.802 61.300 -0.010 0.000 1.327 261 I CB -0.398 37.617 38.000 0.025 0.000 1.034 261 I HN 0.318 nan 8.210 nan 0.000 0.405 262 L N 0.247 121.439 121.223 -0.052 0.000 2.051 262 L HA -0.298 4.068 4.340 0.044 0.000 0.214 262 L C 2.633 179.533 176.870 0.049 0.000 1.076 262 L CA 1.838 56.605 54.840 -0.122 0.000 0.758 262 L CB -0.693 40.984 42.059 -0.637 0.000 0.890 262 L HN 0.385 nan 8.230 nan 0.000 0.433 263 E N 0.141 120.386 120.200 0.074 0.000 2.153 263 E HA -0.265 4.111 4.350 0.044 0.000 0.194 263 E C 2.387 179.006 176.600 0.032 0.000 0.988 263 E CA 0.721 57.224 56.400 0.173 0.000 0.811 263 E CB -0.011 29.764 29.700 0.124 0.000 0.746 263 E HN 0.244 nan 8.360 nan 0.000 0.466 264 R N 0.047 120.491 120.500 -0.093 0.000 2.105 264 R HA -0.143 4.223 4.340 0.044 0.000 0.239 264 R C 1.247 177.320 176.300 -0.377 0.000 1.135 264 R CA 1.249 57.171 56.100 -0.297 0.000 0.967 264 R CB -0.312 29.702 30.300 -0.477 0.000 0.861 264 R HN 0.229 nan 8.270 nan 0.000 0.442 265 F N -0.026 119.910 119.950 -0.022 0.000 2.732 265 F HA 0.333 4.886 4.527 0.042 0.000 0.303 265 F C 0.802 176.577 175.800 -0.041 0.000 1.110 265 F CA 0.099 58.076 58.000 -0.038 0.000 1.355 265 F CB 0.281 39.257 39.000 -0.041 0.000 1.081 265 F HN -0.028 nan 8.300 nan 0.000 0.565 266 A N 0.416 123.295 122.820 0.099 0.000 2.355 266 A HA 0.540 4.886 4.320 0.044 0.000 0.324 266 A C -0.178 177.390 177.584 -0.027 0.000 1.117 266 A CA -0.769 51.293 52.037 0.042 0.000 0.785 266 A CB 0.561 19.617 19.000 0.093 0.000 1.254 266 A HN 0.322 nan 8.150 nan 0.000 0.453 267 E N 2.520 122.683 120.200 -0.062 0.000 2.373 267 E HA 0.361 4.737 4.350 0.044 0.000 0.267 267 E C -2.355 174.240 176.600 -0.009 0.000 1.032 267 E CA -1.527 54.841 56.400 -0.053 0.000 0.889 267 E CB 0.325 29.990 29.700 -0.059 0.000 0.984 267 E HN 0.351 nan 8.360 nan 0.000 0.425 268 P HA 0.044 nan 4.420 nan 0.000 0.271 268 P C -0.848 176.495 177.300 0.072 0.000 1.216 268 P CA 0.375 63.485 63.100 0.016 0.000 0.771 268 P CB 0.581 32.275 31.700 -0.011 0.000 0.864 269 H N 2.709 121.732 119.070 -0.077 0.000 3.081 269 H HA 0.134 4.712 4.556 0.038 0.000 0.322 269 H C -2.475 172.782 175.328 -0.117 0.000 1.266 269 H CA -1.054 54.939 56.048 -0.093 0.000 1.279 269 H CB 1.581 31.283 29.762 -0.100 0.000 1.954 269 H HN 0.022 nan 8.280 nan 0.000 0.530 270 P HA -0.122 nan 4.420 nan 0.000 0.215 270 P C 1.994 179.239 177.300 -0.092 0.000 1.153 270 P CA 0.913 63.870 63.100 -0.238 0.000 0.853 270 P CB 0.345 31.840 31.700 -0.342 0.000 0.788 271 I N -0.936 119.682 120.570 0.079 0.000 2.181 271 I HA -0.221 3.975 4.170 0.044 0.000 0.247 271 I C 2.181 178.219 176.117 -0.131 0.000 1.081 271 I CA 1.852 63.107 61.300 -0.076 0.000 1.340 271 I CB -1.379 36.501 38.000 -0.200 0.000 1.036 271 I HN -0.108 nan 8.210 nan 0.000 0.417 272 V N 0.113 119.978 119.914 -0.083 0.000 2.255 272 V HA -0.218 3.928 4.120 0.044 0.000 0.243 272 V C 2.554 178.598 176.094 -0.083 0.000 1.038 272 V CA 1.865 64.058 62.300 -0.179 0.000 1.008 272 V CB -0.931 30.817 31.823 -0.124 0.000 0.645 272 V HN 0.325 nan 8.190 nan 0.000 0.449 273 S N -0.701 114.976 115.700 -0.039 0.000 2.381 273 S HA -0.318 4.178 4.470 0.044 0.000 0.230 273 S C 2.064 176.651 174.600 -0.021 0.000 1.052 273 S CA 2.072 60.259 58.200 -0.022 0.000 1.068 273 S CB -0.693 62.482 63.200 -0.041 0.000 0.918 273 S HN 0.645 nan 8.310 nan 0.000 0.448 274 C N 1.117 120.386 119.300 -0.051 0.000 2.432 274 C HA -0.047 4.439 4.460 0.044 0.000 0.277 274 C C 3.054 178.033 174.990 -0.018 0.000 1.249 274 C CA 0.599 59.588 59.018 -0.048 0.000 1.725 274 C CB -1.565 26.123 27.740 -0.087 0.000 2.028 274 C HN 0.704 nan 8.230 nan 0.000 0.477 275 A N 0.240 123.038 122.820 -0.037 0.000 1.877 275 A HA -0.138 4.209 4.320 0.044 0.000 0.216 275 A C 2.006 179.675 177.584 0.143 0.000 1.186 275 A CA 1.717 53.771 52.037 0.028 0.000 0.620 275 A CB -0.644 18.306 19.000 -0.083 0.000 0.822 275 A HN 0.602 nan 8.150 nan 0.000 0.443 276 I N -0.494 120.175 120.570 0.165 0.000 2.163 276 I HA -0.311 3.885 4.170 0.044 0.000 0.243 276 I C 2.574 178.748 176.117 0.096 0.000 1.085 276 I CA 1.975 63.380 61.300 0.174 0.000 1.347 276 I CB -0.369 37.724 38.000 0.155 0.000 1.044 276 I HN 0.608 nan 8.210 nan 0.000 0.408 277 E N 1.369 121.604 120.200 0.059 0.000 2.070 277 E HA -0.277 4.099 4.350 0.044 0.000 0.197 277 E C 2.152 178.780 176.600 0.047 0.000 1.004 277 E CA 1.764 58.186 56.400 0.037 0.000 0.805 277 E CB -0.104 29.605 29.700 0.015 0.000 0.744 277 E HN 0.482 nan 8.360 nan 0.000 0.451 278 A N 0.531 123.385 122.820 0.057 0.000 1.929 278 A HA -0.023 4.323 4.320 0.044 0.000 0.216 278 A C 2.185 179.822 177.584 0.089 0.000 1.176 278 A CA 0.994 53.070 52.037 0.066 0.000 0.628 278 A CB -0.372 18.664 19.000 0.059 0.000 0.816 278 A HN 0.345 nan 8.150 nan 0.000 0.444 279 L N 0.218 121.506 121.223 0.109 0.000 2.341 279 L HA -0.041 4.325 4.340 0.044 0.000 0.214 279 L C 2.430 179.351 176.870 0.085 0.000 1.115 279 L CA 1.204 56.119 54.840 0.126 0.000 0.820 279 L CB -0.174 41.988 42.059 0.171 0.000 0.944 279 L HN 0.534 nan 8.230 nan 0.000 0.452 280 S N -2.196 113.543 115.700 0.064 0.000 2.524 280 S HA 0.089 4.585 4.470 0.044 0.000 0.216 280 S C 0.980 175.596 174.600 0.026 0.000 0.987 280 S CA -0.464 57.755 58.200 0.033 0.000 0.909 280 S CB -0.048 63.165 63.200 0.021 0.000 0.781 280 S HN 0.171 nan 8.310 nan 0.000 0.521 281 S N 3.892 119.617 115.700 0.041 0.000 2.579 281 S HA 0.311 4.808 4.470 0.044 0.000 0.275 281 S C -2.492 172.129 174.600 0.035 0.000 1.345 281 S CA -0.714 57.508 58.200 0.036 0.000 1.031 281 S CB 0.053 63.282 63.200 0.047 0.000 0.892 281 S HN 0.228 nan 8.310 nan 0.000 0.529 282 P HA 0.150 nan 4.420 nan 0.000 0.264 282 P C -0.926 176.396 177.300 0.037 0.000 1.193 282 P CA 0.065 63.164 63.100 -0.002 0.000 0.763 282 P CB 0.259 31.939 31.700 -0.032 0.000 0.810 283 A N 3.588 126.431 122.820 0.038 0.000 2.388 283 A HA 0.350 4.697 4.320 0.044 0.000 0.257 283 A C 0.319 177.996 177.584 0.156 0.000 1.095 283 A CA -0.241 51.895 52.037 0.164 0.000 0.791 283 A CB 0.091 19.102 19.000 0.019 0.000 1.029 283 A HN 0.615 nan 8.150 nan 0.000 0.489 284 E N 1.933 122.320 120.200 0.311 0.000 2.234 284 E HA 0.552 4.928 4.350 0.044 0.000 0.266 284 E C -0.345 176.511 176.600 0.427 0.000 0.877 284 E CA -0.800 55.731 56.400 0.218 0.000 0.758 284 E CB 1.858 31.590 29.700 0.053 0.000 1.170 284 E HN 0.613 nan 8.360 nan 0.000 0.415 285 G N 3.341 112.331 108.800 0.317 0.000 2.603 285 G HA2 0.353 4.339 3.960 0.044 0.000 0.324 285 G HA3 0.353 4.339 3.960 0.044 0.000 0.324 285 G C -1.014 173.927 174.900 0.068 0.000 1.178 285 G CA -0.511 44.733 45.100 0.239 0.000 1.023 285 G HN 0.332 nan 8.290 nan 0.000 0.482 286 Y N 1.507 121.818 120.300 0.017 0.000 2.465 286 Y HA 0.355 4.931 4.550 0.045 0.000 0.331 286 Y C 0.469 176.325 175.900 -0.074 0.000 1.102 286 Y CA -0.275 57.815 58.100 -0.017 0.000 1.358 286 Y CB 1.513 39.970 38.460 -0.006 0.000 1.213 286 Y HN 0.279 nan 8.280 nan 0.000 0.525 287 V N 6.319 126.243 119.914 0.017 0.000 2.569 287 V HA 0.273 4.420 4.120 0.044 0.000 0.301 287 V C -0.035 176.038 176.094 -0.035 0.000 1.044 287 V CA -0.959 61.319 62.300 -0.037 0.000 0.874 287 V CB 0.691 32.445 31.823 -0.115 0.000 1.002 287 V HN 1.127 nan 8.190 nan 0.000 0.424 288 N N 4.610 123.309 118.700 -0.000 0.000 1.075 288 N HA -0.363 4.403 4.740 0.044 0.000 0.133 288 N C 0.578 176.115 175.510 0.045 0.000 0.564 288 N CA 2.149 55.212 53.050 0.021 0.000 0.891 288 N CB -0.933 37.558 38.487 0.007 0.000 1.364 288 N HN 0.837 nan 8.380 nan 0.000 0.547 289 D N 1.787 122.202 120.400 0.025 0.000 2.312 289 D HA 0.046 4.712 4.640 0.044 0.000 0.211 289 D C 1.473 177.793 176.300 0.034 0.000 0.964 289 D CA 1.105 55.132 54.000 0.045 0.000 0.877 289 D CB -0.342 40.481 40.800 0.039 0.000 0.924 289 D HN 0.719 nan 8.370 nan 0.000 0.515 290 I N -2.397 118.154 120.570 -0.031 0.000 3.076 290 I HA 0.611 4.807 4.170 0.044 0.000 0.313 290 I C -0.396 175.628 176.117 -0.155 0.000 1.053 290 I CA -1.292 59.950 61.300 -0.096 0.000 1.048 290 I CB 1.924 39.802 38.000 -0.203 0.000 1.264 290 I HN -0.168 nan 8.210 nan 0.000 0.498 291 K N 1.384 121.645 120.400 -0.232 0.000 2.536 291 K HA 0.554 4.900 4.320 0.044 0.000 0.269 291 K C -2.133 174.381 176.600 -0.142 0.000 0.965 291 K CA -0.686 55.408 56.287 -0.321 0.000 0.860 291 K CB 2.385 34.432 32.500 -0.755 0.000 1.423 291 K HN 0.637 nan 8.250 nan 0.000 0.438 292 F N 1.992 121.800 119.950 -0.237 0.000 2.529 292 F HA 0.502 5.055 4.527 0.044 0.000 0.320 292 F C -1.483 174.297 175.800 -0.034 0.000 1.118 292 F CA -0.820 57.096 58.000 -0.140 0.000 0.915 292 F CB 1.879 40.805 39.000 -0.123 0.000 1.161 292 F HN 0.319 nan 8.300 nan 0.000 0.445 293 V N 3.602 123.033 119.914 -0.804 0.000 2.481 293 V HA 0.424 4.570 4.120 0.044 0.000 0.286 293 V C 0.036 175.488 176.094 -1.071 0.000 1.042 293 V CA -0.721 61.181 62.300 -0.663 0.000 0.928 293 V CB 1.379 33.011 31.823 -0.319 0.000 0.986 293 V HN 0.864 nan 8.190 nan 0.000 0.462 294 T N 1.830 116.061 114.554 -0.539 0.000 2.832 294 T HA 0.442 4.818 4.350 0.044 0.000 0.296 294 T C 0.443 175.064 174.700 -0.131 0.000 0.968 294 T CA -0.657 61.277 62.100 -0.277 0.000 1.107 294 T CB 1.061 69.907 68.868 -0.037 0.000 0.916 294 T HN 0.541 nan 8.240 nan 0.000 0.517 295 R N 1.187 121.672 120.500 -0.025 0.000 2.388 295 R HA 0.523 4.889 4.340 0.044 0.000 0.247 295 R C 0.784 177.093 176.300 0.015 0.000 0.931 295 R CA 0.026 56.127 56.100 0.001 0.000 1.082 295 R CB 0.608 30.926 30.300 0.030 0.000 1.135 295 R HN 1.065 nan 8.270 nan 0.000 0.525 296 G N -1.465 107.352 108.800 0.028 0.000 2.308 296 G HA2 0.436 4.422 3.960 0.044 0.000 0.288 296 G HA3 0.436 4.422 3.960 0.044 0.000 0.288 296 G C -0.506 174.364 174.900 -0.051 0.000 1.722 296 G CA -0.283 44.806 45.100 -0.019 0.000 0.924 296 G HN 0.370 nan 8.290 nan 0.000 0.732 297 G N -0.929 107.801 108.800 -0.116 0.000 2.315 297 G HA2 0.494 4.480 3.960 0.044 0.000 0.296 297 G HA3 0.494 4.480 3.960 0.044 0.000 0.296 297 G C -2.070 172.740 174.900 -0.150 0.000 1.289 297 G CA -0.118 44.834 45.100 -0.248 0.000 0.996 297 G HN 1.665 nan 8.290 nan 0.000 0.487 298 L N 1.778 122.910 121.223 -0.152 0.000 2.409 298 L HA 0.669 5.036 4.340 0.044 0.000 0.272 298 L C -2.088 174.610 176.870 -0.287 0.000 0.980 298 L CA -1.845 52.892 54.840 -0.172 0.000 0.826 298 L CB 2.473 44.452 42.059 -0.133 0.000 1.268 298 L HN 0.422 nan 8.230 nan 0.000 0.407 299 P HA 0.118 nan 4.420 nan 0.000 0.269 299 P C -0.794 176.060 177.300 -0.744 0.000 1.252 299 P CA -0.262 61.897 63.100 -1.567 0.000 0.780 299 P CB 0.554 31.083 31.700 -1.950 0.000 0.829 300 S N 2.844 118.309 115.700 -0.391 0.000 2.670 300 S HA 0.369 4.865 4.470 0.044 0.000 0.328 300 S C 1.458 176.100 174.600 0.070 0.000 1.179 300 S CA 0.420 58.619 58.200 -0.002 0.000 1.194 300 S CB -0.790 62.507 63.200 0.162 0.000 1.359 300 S HN 0.815 nan 8.310 nan 0.000 0.555 301 G N 2.597 111.411 108.800 0.023 0.000 2.834 301 G HA2 -0.130 3.856 3.960 0.044 0.000 0.217 301 G HA3 -0.130 3.856 3.960 0.044 0.000 0.217 301 G C -0.021 174.961 174.900 0.137 0.000 0.974 301 G CA -0.350 44.810 45.100 0.099 0.000 0.826 301 G HN 0.682 nan 8.290 nan 0.000 0.584 302 M N 0.974 120.609 119.600 0.058 0.000 2.243 302 M HA 0.616 5.122 4.480 0.044 0.000 0.341 302 M C -2.234 174.131 176.300 0.107 0.000 1.130 302 M CA -1.539 53.872 55.300 0.184 0.000 1.162 302 M CB 0.215 32.883 32.600 0.113 0.000 1.497 302 M HN -0.075 nan 8.290 nan 0.000 0.456 303 P HA -0.002 nan 4.420 nan 0.000 0.264 303 P C -0.743 176.547 177.300 -0.015 0.000 1.193 303 P CA 0.420 63.458 63.100 -0.103 0.000 0.763 303 P CB -0.161 31.514 31.700 -0.042 0.000 0.810 304 F N -0.265 119.739 119.950 0.091 0.000 3.091 304 F HA -0.241 4.311 4.527 0.041 0.000 0.288 304 F C 1.903 177.725 175.800 0.036 0.000 0.907 304 F CA 1.202 59.236 58.000 0.057 0.000 1.028 304 F CB -3.084 35.950 39.000 0.057 0.000 1.022 304 F HN 0.354 nan 8.300 nan 0.000 0.665 305 T N -2.309 112.317 114.554 0.121 0.000 2.652 305 T HA -0.240 4.137 4.350 0.044 0.000 0.267 305 T C 2.134 176.905 174.700 0.118 0.000 1.039 305 T CA 2.356 64.520 62.100 0.108 0.000 1.153 305 T CB -0.160 68.755 68.868 0.079 0.000 0.863 305 T HN 0.428 nan 8.240 nan 0.000 0.428 306 S N -0.022 115.734 115.700 0.093 0.000 2.368 306 S HA -0.021 4.475 4.470 0.044 0.000 0.224 306 S C 2.098 176.676 174.600 -0.036 0.000 1.029 306 S CA 1.133 59.347 58.200 0.023 0.000 0.988 306 S CB -0.486 62.684 63.200 -0.050 0.000 0.838 306 S HN 0.409 nan 8.310 nan 0.000 0.462 307 V N 1.254 121.175 119.914 0.012 0.000 2.237 307 V HA -0.150 3.996 4.120 0.044 0.000 0.245 307 V C 2.323 178.417 176.094 0.001 0.000 1.046 307 V CA 1.636 63.927 62.300 -0.014 0.000 1.007 307 V CB -0.706 31.128 31.823 0.019 0.000 0.638 307 V HN 0.325 nan 8.190 nan 0.000 0.445 308 V N 0.499 120.437 119.914 0.039 0.000 2.287 308 V HA -0.288 3.858 4.120 0.044 0.000 0.248 308 V C 2.383 178.536 176.094 0.099 0.000 1.053 308 V CA 2.262 64.579 62.300 0.028 0.000 1.027 308 V CB -0.935 30.908 31.823 0.034 0.000 0.646 308 V HN 0.561 nan 8.190 nan 0.000 0.447 309 N N 0.092 118.893 118.700 0.169 0.000 2.094 309 N HA -0.158 4.608 4.740 0.044 0.000 0.191 309 N C 2.088 177.811 175.510 0.356 0.000 1.023 309 N CA 1.947 55.210 53.050 0.354 0.000 0.857 309 N CB -0.323 38.412 38.487 0.413 0.000 1.013 309 N HN 0.415 nan 8.380 nan 0.000 0.426 310 S N 0.426 116.217 115.700 0.153 0.000 2.406 310 S HA 0.131 4.627 4.470 0.044 0.000 0.228 310 S C 2.027 176.703 174.600 0.126 0.000 1.020 310 S CA 0.254 58.512 58.200 0.098 0.000 0.965 310 S CB 0.129 63.306 63.200 -0.039 0.000 0.798 310 S HN 0.286 nan 8.310 nan 0.000 0.488 311 I N 1.834 122.452 120.570 0.080 0.000 2.252 311 I HA -0.168 4.028 4.170 0.044 0.000 0.245 311 I C 2.002 178.184 176.117 0.107 0.000 1.102 311 I CA 0.790 62.117 61.300 0.045 0.000 1.385 311 I CB -0.626 37.363 38.000 -0.017 0.000 1.064 311 I HN 0.212 nan 8.210 nan 0.000 0.414 312 N N 0.739 119.537 118.700 0.164 0.000 2.021 312 N HA -0.293 4.473 4.740 0.044 0.000 0.198 312 N C 1.831 177.592 175.510 0.417 0.000 1.041 312 N CA 1.788 54.959 53.050 0.201 0.000 0.862 312 N CB -0.778 37.892 38.487 0.304 0.000 1.048 312 N HN 0.443 nan 8.380 nan 0.000 0.427 313 H N -0.514 118.861 119.070 0.508 0.000 2.390 313 H HA -0.027 4.555 4.556 0.044 0.000 0.298 313 H C 2.046 177.587 175.328 0.356 0.000 1.106 313 H CA 1.475 57.832 56.048 0.514 0.000 1.297 313 H CB 0.042 29.896 29.762 0.154 0.000 1.375 313 H HN 0.188 nan 8.280 nan 0.000 0.509 314 M N -0.357 119.483 119.600 0.399 0.000 2.117 314 M HA -0.155 4.351 4.480 0.044 0.000 0.262 314 M C 2.183 178.700 176.300 0.362 0.000 1.065 314 M CA 1.410 56.921 55.300 0.352 0.000 1.114 314 M CB -0.020 32.609 32.600 0.047 0.000 1.361 314 M HN 0.335 nan 8.290 nan 0.000 0.408 315 I N -1.149 119.526 120.570 0.176 0.000 2.142 315 I HA -0.312 3.885 4.170 0.044 0.000 0.240 315 I C 2.188 178.292 176.117 -0.022 0.000 1.078 315 I CA 1.519 62.825 61.300 0.010 0.000 1.343 315 I CB -0.551 37.342 38.000 -0.179 0.000 1.046 315 I HN 0.152 nan 8.210 nan 0.000 0.405 316 Y N -0.004 120.335 120.300 0.065 0.000 2.081 316 Y HA -0.286 4.290 4.550 0.044 0.000 0.280 316 Y C 2.639 178.603 175.900 0.107 0.000 1.163 316 Y CA 1.827 59.948 58.100 0.035 0.000 1.135 316 Y CB -1.098 37.418 38.460 0.093 0.000 0.970 316 Y HN -0.028 nan 8.280 nan 0.000 0.498 317 V N -0.109 120.010 119.914 0.342 0.000 2.407 317 V HA -0.267 3.880 4.120 0.044 0.000 0.248 317 V C 2.284 178.362 176.094 -0.027 0.000 1.055 317 V CA 1.807 64.195 62.300 0.146 0.000 1.049 317 V CB -0.925 30.953 31.823 0.090 0.000 0.662 317 V HN 0.443 nan 8.190 nan 0.000 0.455 318 A N -0.045 122.759 122.820 -0.028 0.000 1.877 318 A HA -0.096 4.250 4.320 0.044 0.000 0.216 318 A C 2.440 179.899 177.584 -0.208 0.000 1.186 318 A CA 2.290 54.198 52.037 -0.215 0.000 0.620 318 A CB -1.093 17.834 19.000 -0.122 0.000 0.822 318 A HN 0.823 nan 8.150 nan 0.000 0.443 319 A N -0.409 122.346 122.820 -0.109 0.000 1.933 319 A HA 0.189 4.535 4.320 0.044 0.000 0.218 319 A C 2.461 180.058 177.584 0.022 0.000 1.175 319 A CA 2.086 54.062 52.037 -0.102 0.000 0.628 319 A CB -0.866 18.022 19.000 -0.187 0.000 0.814 319 A HN 1.033 nan 8.150 nan 0.000 0.444 320 A N -0.373 122.525 122.820 0.131 0.000 1.930 320 A HA 0.085 4.431 4.320 0.044 0.000 0.215 320 A C 2.093 179.670 177.584 -0.012 0.000 1.176 320 A CA 1.151 53.285 52.037 0.161 0.000 0.632 320 A CB -0.471 18.648 19.000 0.198 0.000 0.819 320 A HN 0.457 nan 8.150 nan 0.000 0.445 321 I N -0.231 120.285 120.570 -0.091 0.000 2.179 321 I HA -0.248 3.948 4.170 0.044 0.000 0.242 321 I C 2.211 178.237 176.117 -0.153 0.000 1.088 321 I CA 1.205 62.429 61.300 -0.125 0.000 1.357 321 I CB -0.256 37.612 38.000 -0.220 0.000 1.051 321 I HN 0.280 nan 8.210 nan 0.000 0.409 322 L N -0.086 120.958 121.223 -0.297 0.000 2.291 322 L HA -0.196 4.170 4.340 0.044 0.000 0.214 322 L C 2.531 179.348 176.870 -0.088 0.000 1.120 322 L CA 0.934 55.576 54.840 -0.329 0.000 0.799 322 L CB -0.419 41.404 42.059 -0.394 0.000 0.925 322 L HN 0.353 nan 8.230 nan 0.000 0.446 323 Q N -0.046 119.739 119.800 -0.026 0.000 1.994 323 Q HA -0.171 4.195 4.340 0.044 0.000 0.198 323 Q C 2.425 178.462 176.000 0.062 0.000 0.976 323 Q CA 1.477 57.298 55.803 0.030 0.000 0.828 323 Q CB -0.109 28.667 28.738 0.063 0.000 0.894 323 Q HN 0.471 nan 8.270 nan 0.000 0.432 324 A N 0.223 123.077 122.820 0.057 0.000 1.929 324 A HA -0.288 4.058 4.320 0.044 0.000 0.221 324 A C 1.857 179.541 177.584 0.166 0.000 1.211 324 A CA 2.067 54.159 52.037 0.092 0.000 0.657 324 A CB -1.356 17.644 19.000 -0.000 0.000 0.827 324 A HN 0.595 nan 8.150 nan 0.000 0.462 325 Y N -0.697 119.615 120.300 0.019 0.000 2.145 325 Y HA -0.171 4.405 4.550 0.044 0.000 0.286 325 Y C 2.557 178.517 175.900 0.101 0.000 1.145 325 Y CA 1.818 59.954 58.100 0.060 0.000 1.148 325 Y CB -0.308 38.157 38.460 0.009 0.000 0.981 325 Y HN 0.478 nan 8.280 nan 0.000 0.507 326 E N -0.085 120.235 120.200 0.199 0.000 2.085 326 E HA -0.205 4.171 4.350 0.044 0.000 0.194 326 E C 1.773 178.420 176.600 0.077 0.000 0.994 326 E CA 1.664 58.134 56.400 0.117 0.000 0.801 326 E CB -0.138 29.603 29.700 0.067 0.000 0.743 326 E HN 0.479 nan 8.360 nan 0.000 0.453 327 S N -0.685 115.048 115.700 0.055 0.000 2.701 327 S HA 0.008 4.504 4.470 0.044 0.000 0.220 327 S C 0.919 175.382 174.600 -0.229 0.000 0.954 327 S CA 0.062 58.219 58.200 -0.070 0.000 0.936 327 S CB -0.068 63.066 63.200 -0.109 0.000 0.777 327 S HN 0.319 nan 8.310 nan 0.000 0.518 328 H N 0.914 119.970 119.070 -0.024 0.000 3.058 328 H HA 0.273 4.855 4.556 0.044 0.000 0.266 328 H C -0.351 174.975 175.328 -0.004 0.000 1.135 328 H CA -0.287 55.739 56.048 -0.038 0.000 1.174 328 H CB 0.127 29.830 29.762 -0.097 0.000 1.581 328 H HN 0.413 nan 8.280 nan 0.000 0.553 329 N N 0.735 119.497 118.700 0.104 0.000 2.727 329 N HA -0.155 4.611 4.740 0.044 0.000 0.251 329 N C -1.356 174.224 175.510 0.117 0.000 1.040 329 N CA 0.353 53.457 53.050 0.089 0.000 0.712 329 N CB -0.908 37.609 38.487 0.049 0.000 0.912 329 N HN -0.017 nan 8.380 nan 0.000 0.545 330 V N 0.349 120.368 119.914 0.174 0.000 2.483 330 V HA 0.497 4.643 4.120 0.044 0.000 0.297 330 V C -1.941 174.324 176.094 0.286 0.000 1.027 330 V CA -1.482 60.945 62.300 0.212 0.000 0.855 330 V CB 2.053 34.006 31.823 0.217 0.000 0.995 330 V HN -0.015 nan 8.190 nan 0.000 0.424 331 P HA 0.205 nan 4.420 nan 0.000 0.271 331 P C -1.429 175.983 177.300 0.188 0.000 1.218 331 P CA 0.017 63.219 63.100 0.170 0.000 0.780 331 P CB 0.243 32.000 31.700 0.094 0.000 0.901 332 Y N 1.312 121.596 120.300 -0.027 0.000 2.402 332 Y HA 0.234 4.810 4.550 0.044 0.000 0.325 332 Y C 1.046 176.888 175.900 -0.097 0.000 1.009 332 Y CA -0.152 57.834 58.100 -0.190 0.000 1.278 332 Y CB 0.930 39.123 38.460 -0.445 0.000 1.105 332 Y HN 0.384 nan 8.280 nan 0.000 0.476 333 T N 0.359 114.780 114.554 -0.222 0.000 3.031 333 T HA 0.258 4.635 4.350 0.044 0.000 0.254 333 T C 1.109 175.747 174.700 -0.104 0.000 1.060 333 T CA 0.499 62.540 62.100 -0.098 0.000 1.135 333 T CB -0.043 68.776 68.868 -0.081 0.000 0.896 333 T HN 0.652 nan 8.240 nan 0.000 0.472 334 G N 1.572 110.214 108.800 -0.263 0.000 2.616 334 G HA2 0.333 4.319 3.960 0.044 0.000 0.268 334 G HA3 0.333 4.319 3.960 0.044 0.000 0.268 334 G C -0.351 174.560 174.900 0.018 0.000 1.213 334 G CA -0.694 44.314 45.100 -0.154 0.000 0.926 334 G HN 0.357 nan 8.290 nan 0.000 0.523 335 N N -0.601 118.109 118.700 0.017 0.000 2.530 335 N HA -0.005 4.762 4.740 0.044 0.000 0.273 335 N C 1.553 177.156 175.510 0.155 0.000 1.173 335 N CA -0.417 52.687 53.050 0.089 0.000 0.967 335 N CB 1.639 40.178 38.487 0.086 0.000 1.109 335 N HN 0.042 nan 8.380 nan 0.000 0.453 336 V N 3.678 123.704 119.914 0.187 0.000 2.392 336 V HA -0.216 3.930 4.120 0.044 0.000 0.249 336 V C 1.155 176.933 176.094 -0.528 0.000 1.059 336 V CA 1.717 63.836 62.300 -0.302 0.000 1.051 336 V CB -0.622 30.728 31.823 -0.788 0.000 0.658 336 V HN 0.617 nan 8.190 nan 0.000 0.455 337 F N -0.773 119.038 119.950 -0.233 0.000 2.765 337 F HA 0.124 4.677 4.527 0.045 0.000 0.302 337 F C 2.202 177.702 175.800 -0.500 0.000 1.111 337 F CA 0.162 57.838 58.000 -0.541 0.000 1.359 337 F CB -0.236 38.124 39.000 -1.065 0.000 1.097 337 F HN 0.162 nan 8.300 nan 0.000 0.577 338 Q N -0.338 119.396 119.800 -0.110 0.000 2.297 338 Q HA 0.010 4.376 4.340 0.044 0.000 0.203 338 Q C 2.173 178.168 176.000 -0.009 0.000 0.931 338 Q CA 0.844 56.666 55.803 0.032 0.000 0.885 338 Q CB 0.012 28.822 28.738 0.120 0.000 0.991 338 Q HN 0.313 nan 8.270 nan 0.000 0.498 339 V N 0.713 120.600 119.914 -0.045 0.000 2.331 339 V HA -0.100 4.046 4.120 0.044 0.000 0.242 339 V C 0.622 176.701 176.094 -0.026 0.000 1.034 339 V CA 1.288 63.558 62.300 -0.050 0.000 1.027 339 V CB 0.040 31.800 31.823 -0.105 0.000 0.667 339 V HN 0.197 nan 8.190 nan 0.000 0.457 340 E N -0.339 119.831 120.200 -0.049 0.000 2.250 340 E HA 0.429 4.805 4.350 0.044 0.000 0.265 340 E C -0.423 176.148 176.600 -0.048 0.000 1.033 340 E CA -0.156 56.219 56.400 -0.043 0.000 0.888 340 E CB 1.279 30.938 29.700 -0.068 0.000 1.151 340 E HN 0.246 nan 8.360 nan 0.000 0.412 341 T N 2.068 116.609 114.554 -0.021 0.000 2.772 341 T HA 0.503 4.879 4.350 0.044 0.000 0.288 341 T C -0.433 174.232 174.700 -0.058 0.000 0.994 341 T CA -0.709 61.363 62.100 -0.048 0.000 0.951 341 T CB 0.234 69.092 68.868 -0.017 0.000 0.933 341 T HN 0.165 nan 8.240 nan 0.000 0.447 342 I N 3.415 123.907 120.570 -0.131 0.000 2.530 342 I HA 0.436 4.632 4.170 0.044 0.000 0.297 342 I C -0.072 175.772 176.117 -0.455 0.000 1.011 342 I CA -0.882 60.377 61.300 -0.069 0.000 1.107 342 I CB 1.651 39.750 38.000 0.166 0.000 1.285 342 I HN 0.640 nan 8.210 nan 0.000 0.436 343 H N 3.219 122.248 119.070 -0.069 0.000 2.667 343 H HA 0.545 5.127 4.556 0.043 0.000 0.353 343 H C -0.437 174.766 175.328 -0.209 0.000 1.072 343 H CA -0.471 55.462 56.048 -0.192 0.000 1.214 343 H CB 2.543 32.041 29.762 -0.441 0.000 1.600 343 H HN 0.625 nan 8.280 nan 0.000 0.527 344 T N 0.131 114.710 114.554 0.042 0.000 2.916 344 T HA 0.410 4.786 4.350 0.044 0.000 0.298 344 T C -1.239 173.598 174.700 0.228 0.000 1.031 344 T CA -0.831 61.259 62.100 -0.016 0.000 0.993 344 T CB 1.805 70.500 68.868 -0.289 0.000 1.045 344 T HN 0.585 nan 8.240 nan 0.000 0.454 345 Y N 2.806 123.190 120.300 0.139 0.000 2.526 345 Y HA 0.484 5.060 4.550 0.044 0.000 0.328 345 Y C 1.234 177.061 175.900 -0.122 0.000 0.995 345 Y CA 0.246 58.361 58.100 0.024 0.000 1.304 345 Y CB 0.478 38.897 38.460 -0.069 0.000 1.096 345 Y HN 1.323 nan 8.280 nan 0.000 0.499 346 G N 3.272 112.049 108.800 -0.039 0.000 2.678 346 G HA2 -0.491 3.496 3.960 0.044 0.000 0.362 346 G HA3 -0.491 3.496 3.960 0.044 0.000 0.362 346 G C 1.450 175.871 174.900 -0.799 0.000 1.169 346 G CA 0.941 45.888 45.100 -0.254 0.000 0.933 346 G HN 1.120 nan 8.290 nan 0.000 0.587 347 G N 0.841 109.131 108.800 -0.851 0.000 2.442 347 G HA2 0.322 4.308 3.960 0.044 0.000 0.219 347 G HA3 0.322 4.308 3.960 0.044 0.000 0.219 347 G C 1.031 175.770 174.900 -0.268 0.000 1.141 347 G CA 1.532 46.157 45.100 -0.792 0.000 0.763 347 G HN 1.578 nan 8.290 nan 0.000 0.554 348 G N -1.332 107.423 108.800 -0.075 0.000 2.389 348 G HA2 0.497 4.483 3.960 0.044 0.000 0.317 348 G HA3 0.497 4.483 3.960 0.044 0.000 0.317 348 G C -0.477 174.577 174.900 0.257 0.000 1.137 348 G CA 0.206 45.367 45.100 0.101 0.000 0.870 348 G HN 1.040 nan 8.290 nan 0.000 0.496 349 C N 0.369 119.833 119.300 0.273 0.000 3.321 349 C HA 0.859 5.345 4.460 0.044 0.000 0.329 349 C C -0.741 174.162 174.990 -0.144 0.000 1.394 349 C CA -1.263 57.788 59.018 0.054 0.000 1.291 349 C CB 0.878 28.464 27.740 -0.256 0.000 1.606 349 C HN 0.710 nan 8.230 nan 0.000 0.463 350 M N 2.021 121.416 119.600 -0.342 0.000 2.267 350 M HA 0.461 4.967 4.480 0.044 0.000 0.289 350 M C -1.907 174.311 176.300 -0.137 0.000 1.043 350 M CA -0.101 55.020 55.300 -0.299 0.000 0.928 350 M CB 2.124 34.512 32.600 -0.353 0.000 1.613 350 M HN 0.786 nan 8.290 nan 0.000 0.450 351 Y N 0.820 121.137 120.300 0.029 0.000 2.331 351 Y HA 0.449 5.025 4.550 0.043 0.000 0.338 351 Y C 0.279 176.166 175.900 -0.022 0.000 0.976 351 Y CA -1.308 56.808 58.100 0.026 0.000 1.137 351 Y CB 1.801 40.312 38.460 0.084 0.000 1.172 351 Y HN 0.487 nan 8.280 nan 0.000 0.478 352 S N 4.218 119.989 115.700 0.119 0.000 2.577 352 S HA 0.624 5.120 4.470 0.044 0.000 0.294 352 S C -0.756 173.864 174.600 0.033 0.000 1.161 352 S CA -0.601 57.622 58.200 0.038 0.000 1.143 352 S CB -0.633 62.575 63.200 0.013 0.000 0.991 352 S HN 0.515 nan 8.310 nan 0.000 0.475 353 V N 3.071 123.000 119.914 0.025 0.000 2.850 353 V HA 0.745 4.892 4.120 0.044 0.000 0.315 353 V C 0.845 176.963 176.094 0.039 0.000 1.064 353 V CA -1.314 61.005 62.300 0.033 0.000 0.979 353 V CB 0.376 32.212 31.823 0.022 0.000 1.039 353 V HN 0.943 nan 8.190 nan 0.000 0.452 354 C N 1.784 121.121 119.300 0.062 0.000 2.700 354 C HA 0.477 4.964 4.460 0.044 0.000 0.397 354 C C -0.585 174.450 174.990 0.075 0.000 1.301 354 C CA -0.507 58.547 59.018 0.060 0.000 2.219 354 C CB 0.320 28.098 27.740 0.062 0.000 2.699 354 C HN 0.821 nan 8.230 nan 0.000 0.669 355 P HA -0.175 nan 4.420 nan 0.000 0.214 355 P C 1.940 179.279 177.300 0.066 0.000 1.169 355 P CA 3.450 66.581 63.100 0.051 0.000 0.908 355 P CB -0.252 31.469 31.700 0.035 0.000 0.791 356 A N -1.009 121.860 122.820 0.082 0.000 1.869 356 A HA -0.295 4.051 4.320 0.044 0.000 0.218 356 A C 2.316 179.932 177.584 0.054 0.000 1.203 356 A CA 3.177 55.258 52.037 0.073 0.000 0.638 356 A CB -2.014 17.081 19.000 0.158 0.000 0.831 356 A HN 0.207 nan 8.150 nan 0.000 0.450 357 T N 0.256 114.927 114.554 0.195 0.000 2.720 357 T HA -0.077 4.299 4.350 0.044 0.000 0.268 357 T C 2.187 176.988 174.700 0.169 0.000 1.037 357 T CA 1.901 64.134 62.100 0.222 0.000 1.144 357 T CB -0.606 68.467 68.868 0.341 0.000 0.864 357 T HN 0.687 nan 8.240 nan 0.000 0.444 358 A N 2.116 125.023 122.820 0.145 0.000 1.883 358 A HA -0.165 4.182 4.320 0.044 0.000 0.217 358 A C 2.581 180.276 177.584 0.185 0.000 1.186 358 A CA 2.470 54.616 52.037 0.181 0.000 0.624 358 A CB -1.134 17.947 19.000 0.135 0.000 0.822 358 A HN 0.642 nan 8.150 nan 0.000 0.444 359 S N 0.264 116.016 115.700 0.087 0.000 2.440 359 S HA -0.136 4.360 4.470 0.044 0.000 0.240 359 S C 1.383 175.987 174.600 0.007 0.000 1.014 359 S CA 1.381 59.610 58.200 0.048 0.000 0.980 359 S CB -0.755 62.437 63.200 -0.012 0.000 0.775 359 S HN 1.064 nan 8.310 nan 0.000 0.499 360 I N -4.049 116.485 120.570 -0.061 0.000 3.936 360 I HA 0.487 4.684 4.170 0.044 0.000 0.330 360 I C 1.163 177.272 176.117 -0.012 0.000 1.509 360 I CA -0.610 60.584 61.300 -0.177 0.000 1.126 360 I CB -0.212 37.391 38.000 -0.663 0.000 1.115 360 I HN 0.002 nan 8.210 nan 0.000 0.424 361 F N 2.212 122.126 119.950 -0.059 0.000 2.333 361 F HA -0.103 4.450 4.527 0.043 0.000 0.300 361 F C 2.150 177.861 175.800 -0.148 0.000 1.083 361 F CA 1.666 59.579 58.000 -0.145 0.000 1.395 361 F CB -0.310 38.519 39.000 -0.285 0.000 1.056 361 F HN 0.237 nan 8.300 nan 0.000 0.529 362 H N -1.345 117.676 119.070 -0.082 0.000 2.352 362 H HA -0.168 4.414 4.556 0.044 0.000 0.299 362 H C 2.545 177.754 175.328 -0.198 0.000 1.097 362 H CA 2.361 58.336 56.048 -0.123 0.000 1.311 362 H CB -0.513 29.232 29.762 -0.029 0.000 1.377 362 H HN 0.308 nan 8.280 nan 0.000 0.504 363 T N -1.506 113.035 114.554 -0.022 0.000 3.014 363 T HA -0.050 4.326 4.350 0.044 0.000 0.263 363 T C 2.151 176.748 174.700 -0.171 0.000 1.078 363 T CA 0.875 62.946 62.100 -0.048 0.000 1.135 363 T CB -0.664 68.255 68.868 0.086 0.000 0.895 363 T HN 0.092 nan 8.240 nan 0.000 0.480 364 V N 2.224 121.962 119.914 -0.293 0.000 2.231 364 V HA -0.199 3.947 4.120 0.044 0.000 0.250 364 V C 2.813 178.641 176.094 -0.442 0.000 1.058 364 V CA 2.272 64.320 62.300 -0.421 0.000 1.022 364 V CB -0.957 30.424 31.823 -0.738 0.000 0.640 364 V HN 0.485 nan 8.190 nan 0.000 0.445 365 L N 0.047 120.927 121.223 -0.572 0.000 2.012 365 L HA -0.211 4.155 4.340 0.044 0.000 0.210 365 L C 2.801 179.514 176.870 -0.260 0.000 1.073 365 L CA 1.761 56.363 54.840 -0.397 0.000 0.748 365 L CB -0.989 40.839 42.059 -0.385 0.000 0.891 365 L HN 0.382 nan 8.230 nan 0.000 0.431 366 A N 0.441 123.131 122.820 -0.217 0.000 1.917 366 A HA -0.262 4.084 4.320 0.044 0.000 0.219 366 A C 2.085 179.518 177.584 -0.253 0.000 1.182 366 A CA 2.251 54.181 52.037 -0.179 0.000 0.633 366 A CB -0.685 18.243 19.000 -0.121 0.000 0.819 366 A HN 0.508 nan 8.150 nan 0.000 0.448 367 N N 0.195 118.722 118.700 -0.288 0.000 2.058 367 N HA -0.125 4.641 4.740 0.044 0.000 0.191 367 N C 1.730 176.743 175.510 -0.828 0.000 1.037 367 N CA 1.665 54.432 53.050 -0.471 0.000 0.848 367 N CB -0.687 37.638 38.487 -0.271 0.000 1.021 367 N HN 0.507 nan 8.380 nan 0.000 0.422 368 L N 0.542 121.507 121.223 -0.430 0.000 1.971 368 L HA -0.213 4.154 4.340 0.044 0.000 0.215 368 L C 2.705 179.419 176.870 -0.260 0.000 1.072 368 L CA 1.875 56.589 54.840 -0.210 0.000 0.758 368 L CB -1.197 40.901 42.059 0.065 0.000 0.889 368 L HN 0.266 nan 8.230 nan 0.000 0.433 369 T N -1.082 113.345 114.554 -0.211 0.000 2.699 369 T HA -0.258 4.118 4.350 0.044 0.000 0.268 369 T C 2.135 176.722 174.700 -0.188 0.000 1.036 369 T CA 2.076 64.080 62.100 -0.161 0.000 1.147 369 T CB -0.357 68.433 68.868 -0.131 0.000 0.862 369 T HN 0.550 nan 8.240 nan 0.000 0.446 370 S N -0.005 115.519 115.700 -0.293 0.000 2.419 370 S HA -0.124 4.372 4.470 0.044 0.000 0.233 370 S C 1.621 176.124 174.600 -0.162 0.000 1.016 370 S CA 1.084 59.137 58.200 -0.246 0.000 0.974 370 S CB -0.951 62.086 63.200 -0.271 0.000 0.786 370 S HN 0.748 nan 8.310 nan 0.000 0.492 371 Y N 1.912 122.205 120.300 -0.011 0.000 2.578 371 Y HA 0.421 4.998 4.550 0.044 0.000 0.297 371 Y C 1.984 177.859 175.900 -0.042 0.000 1.176 371 Y CA -0.679 57.428 58.100 0.012 0.000 1.315 371 Y CB -0.949 37.582 38.460 0.119 0.000 1.031 371 Y HN 0.428 nan 8.280 nan 0.000 0.524 372 G N -0.232 108.576 108.800 0.012 0.000 2.134 372 G HA2 -0.219 3.767 3.960 0.044 0.000 0.209 372 G HA3 -0.219 3.767 3.960 0.044 0.000 0.209 372 G C -0.114 174.731 174.900 -0.091 0.000 0.993 372 G CA -0.230 44.846 45.100 -0.041 0.000 0.669 372 G HN 0.247 nan 8.290 nan 0.000 0.519 373 L N -0.502 120.664 121.223 -0.094 0.000 2.439 373 L HA 0.619 4.986 4.340 0.044 0.000 0.259 373 L C 0.702 177.580 176.870 0.014 0.000 1.129 373 L CA -0.597 54.208 54.840 -0.059 0.000 0.803 373 L CB 1.059 43.105 42.059 -0.022 0.000 1.161 373 L HN -0.006 nan 8.230 nan 0.000 0.462 374 K N 2.357 122.817 120.400 0.101 0.000 2.687 374 K HA 0.304 4.650 4.320 0.044 0.000 0.197 374 K C -2.555 173.993 176.600 -0.086 0.000 1.049 374 K CA -1.480 54.814 56.287 0.011 0.000 1.030 374 K CB 1.300 33.812 32.500 0.021 0.000 1.261 374 K HN 0.256 nan 8.250 nan 0.000 0.565 375 P HA 0.065 nan 4.420 nan 0.000 0.276 375 P C -0.629 176.476 177.300 -0.324 0.000 1.230 375 P CA -0.033 62.643 63.100 -0.707 0.000 0.776 375 P CB 1.142 32.414 31.700 -0.714 0.000 0.888 376 T N -1.386 113.009 114.554 -0.264 0.000 2.900 376 T HA 0.657 5.033 4.350 0.044 0.000 0.295 376 T C -0.321 174.318 174.700 -0.103 0.000 1.044 376 T CA -0.572 61.457 62.100 -0.118 0.000 0.995 376 T CB 1.510 70.347 68.868 -0.053 0.000 1.072 376 T HN 0.513 nan 8.240 nan 0.000 0.473 377 A N 0.257 123.058 122.820 -0.033 0.000 2.482 377 A HA 0.193 4.539 4.320 0.044 0.000 0.283 377 A C 1.251 178.842 177.584 0.013 0.000 1.411 377 A CA 0.451 52.491 52.037 0.005 0.000 0.725 377 A CB -1.911 17.087 19.000 -0.003 0.000 1.140 377 A HN 2.009 nan 8.150 nan 0.000 0.375 378 A N 2.278 125.113 122.820 0.026 0.000 1.824 378 A HA 0.145 4.491 4.320 0.044 0.000 0.215 378 A C 1.111 178.715 177.584 0.034 0.000 1.209 378 A CA 1.336 53.396 52.037 0.037 0.000 0.614 378 A CB -0.715 18.317 19.000 0.052 0.000 0.852 378 A HN 1.736 nan 8.150 nan 0.000 0.447 379 D N 0.943 121.363 120.400 0.033 0.000 2.658 379 D HA -0.109 4.557 4.640 0.044 0.000 0.230 379 D C 0.633 176.950 176.300 0.029 0.000 1.118 379 D CA 0.634 54.653 54.000 0.032 0.000 0.848 379 D CB 0.432 41.248 40.800 0.027 0.000 1.160 379 D HN 0.497 nan 8.370 nan 0.000 0.497 380 K N 1.606 122.026 120.400 0.033 0.000 2.304 380 K HA -0.210 4.136 4.320 0.044 0.000 0.204 380 K C 0.907 177.521 176.600 0.023 0.000 1.044 380 K CA 0.660 56.965 56.287 0.031 0.000 0.932 380 K CB -0.747 31.776 32.500 0.038 0.000 0.735 380 K HN 0.367 nan 8.250 nan 0.000 0.468 381 S N 2.147 117.861 115.700 0.023 0.000 2.411 381 S HA 0.206 4.702 4.470 0.044 0.000 0.294 381 S C -1.122 173.490 174.600 0.019 0.000 1.115 381 S CA -0.879 57.333 58.200 0.020 0.000 1.071 381 S CB 0.269 63.482 63.200 0.021 0.000 0.967 381 S HN 0.343 nan 8.310 nan 0.000 0.488 382 D N 2.931 123.340 120.400 0.016 0.000 2.575 382 D HA 0.647 5.313 4.640 0.044 0.000 0.236 382 D C -0.127 176.183 176.300 0.016 0.000 1.075 382 D CA -0.895 53.114 54.000 0.015 0.000 0.860 382 D CB 1.373 42.175 40.800 0.004 0.000 1.475 382 D HN 0.611 nan 8.370 nan 0.000 0.474 383 A N 1.647 124.481 122.820 0.022 0.000 2.586 383 A HA 0.265 4.611 4.320 0.044 0.000 0.231 383 A C 0.910 178.517 177.584 0.038 0.000 1.055 383 A CA 0.189 52.245 52.037 0.031 0.000 0.756 383 A CB -0.443 18.584 19.000 0.045 0.000 0.988 383 A HN 1.178 nan 8.150 nan 0.000 0.509 384 I N -0.633 119.969 120.570 0.053 0.000 5.661 384 I HA -0.173 4.023 4.170 0.044 0.000 0.126 384 I C -0.263 175.946 176.117 0.153 0.000 1.815 384 I CA 0.329 61.683 61.300 0.090 0.000 2.037 384 I CB -1.003 37.023 38.000 0.044 0.000 3.373 384 I HN 0.849 nan 8.210 nan 0.000 0.169 385 K N 2.187 122.661 120.400 0.123 0.000 2.280 385 K HA 0.709 5.055 4.320 0.044 0.000 0.234 385 K C -2.442 174.100 176.600 -0.097 0.000 1.028 385 K CA -1.406 54.938 56.287 0.095 0.000 0.882 385 K CB 0.308 32.827 32.500 0.031 0.000 1.194 385 K HN -0.058 nan 8.250 nan 0.000 0.458 386 P HA 0.018 nan 4.420 nan 0.000 0.271 386 P C -0.661 176.455 177.300 -0.306 0.000 1.220 386 P CA -0.116 62.599 63.100 -0.642 0.000 0.768 386 P CB 1.022 32.379 31.700 -0.572 0.000 0.848 387 T N 1.415 115.802 114.554 -0.277 0.000 2.949 387 T HA 0.295 4.671 4.350 0.044 0.000 0.287 387 T C 0.979 175.591 174.700 -0.146 0.000 1.034 387 T CA -0.672 61.335 62.100 -0.156 0.000 1.018 387 T CB 0.523 69.323 68.868 -0.114 0.000 1.135 387 T HN 0.296 nan 8.240 nan 0.000 0.532 388 N N -0.129 118.514 118.700 -0.095 0.000 2.220 388 N HA 0.116 4.883 4.740 0.044 0.000 0.195 388 N C -0.511 174.963 175.510 -0.060 0.000 1.123 388 N CA -0.036 52.968 53.050 -0.076 0.000 0.874 388 N CB 0.657 39.114 38.487 -0.050 0.000 0.995 388 N HN 0.385 nan 8.380 nan 0.000 0.498 389 T N 3.109 117.629 114.554 -0.056 0.000 2.929 389 T HA 0.272 4.649 4.350 0.044 0.000 0.331 389 T C -2.631 172.032 174.700 -0.061 0.000 1.120 389 T CA -1.347 60.735 62.100 -0.030 0.000 0.973 389 T CB 1.368 70.233 68.868 -0.005 0.000 1.036 389 T HN -0.069 nan 8.240 nan 0.000 0.502 390 P HA 0.261 nan 4.420 nan 0.000 0.267 390 P C -0.807 176.404 177.300 -0.147 0.000 1.209 390 P CA -0.229 62.702 63.100 -0.281 0.000 0.763 390 P CB 0.583 31.885 31.700 -0.662 0.000 0.816 391 V N 5.041 124.904 119.914 -0.086 0.000 2.656 391 V HA 0.678 4.825 4.120 0.044 0.000 0.307 391 V C -0.778 175.426 176.094 0.183 0.000 1.051 391 V CA -0.417 61.932 62.300 0.081 0.000 0.893 391 V CB 1.745 33.610 31.823 0.069 0.000 0.999 391 V HN 0.413 nan 8.190 nan 0.000 0.426 392 F N 4.558 124.545 119.950 0.061 0.000 2.652 392 F HA 0.511 5.064 4.527 0.043 0.000 0.320 392 F C -0.159 175.685 175.800 0.074 0.000 1.115 392 F CA -1.185 56.851 58.000 0.060 0.000 1.053 392 F CB 1.203 40.256 39.000 0.089 0.000 1.297 392 F HN 0.402 nan 8.300 nan 0.000 0.471 393 L N 6.793 127.742 121.223 -0.456 0.000 3.739 393 L HA -0.341 4.025 4.340 0.044 0.000 0.442 393 L C 0.588 177.326 176.870 -0.219 0.000 1.241 393 L CA 0.839 55.392 54.840 -0.477 0.000 0.819 393 L CB -1.126 40.513 42.059 -0.701 0.000 1.679 393 L HN 0.749 nan 8.230 nan 0.000 0.889 394 K N -2.204 118.129 120.400 -0.112 0.000 3.281 394 K HA -0.162 4.184 4.320 0.044 0.000 0.295 394 K C 0.017 176.613 176.600 -0.006 0.000 1.233 394 K CA 1.147 57.398 56.287 -0.059 0.000 0.866 394 K CB -0.962 31.473 32.500 -0.109 0.000 1.265 394 K HN 0.555 nan 8.250 nan 0.000 0.482 395 R N 0.066 120.604 120.500 0.064 0.000 2.621 395 R HA 0.396 4.763 4.340 0.044 0.000 0.292 395 R C -0.178 176.264 176.300 0.238 0.000 0.969 395 R CA -0.604 55.573 56.100 0.129 0.000 0.887 395 R CB 1.244 31.620 30.300 0.126 0.000 1.180 395 R HN -0.140 nan 8.270 nan 0.000 0.450 396 T N 3.679 118.349 114.554 0.193 0.000 2.753 396 T HA 0.379 4.755 4.350 0.044 0.000 0.297 396 T C 0.191 175.060 174.700 0.282 0.000 0.981 396 T CA -0.384 61.851 62.100 0.225 0.000 0.956 396 T CB 0.005 68.944 68.868 0.118 0.000 0.936 396 T HN 0.268 nan 8.240 nan 0.000 0.463 397 F N 3.047 123.015 119.950 0.030 0.000 2.557 397 F HA 0.189 4.742 4.527 0.044 0.000 0.384 397 F C 1.215 177.016 175.800 0.001 0.000 1.057 397 F CA -0.164 57.851 58.000 0.026 0.000 1.169 397 F CB 0.244 39.262 39.000 0.030 0.000 1.070 397 F HN 0.367 nan 8.300 nan 0.000 0.554 398 T N 3.009 117.630 114.554 0.111 0.000 2.971 398 T HA 0.148 4.524 4.350 0.044 0.000 0.304 398 T C -0.702 174.008 174.700 0.016 0.000 1.038 398 T CA -0.890 61.238 62.100 0.046 0.000 1.007 398 T CB 1.664 70.521 68.868 -0.018 0.000 1.055 398 T HN 0.355 nan 8.240 nan 0.000 0.451 399 Q N 2.502 122.315 119.800 0.022 0.000 2.315 399 Q HA 0.425 4.791 4.340 0.044 0.000 0.289 399 Q C 0.207 176.197 176.000 -0.018 0.000 1.044 399 Q CA 0.425 56.231 55.803 0.005 0.000 0.920 399 Q CB 0.339 29.082 28.738 0.008 0.000 1.214 399 Q HN 0.891 nan 8.270 nan 0.000 0.392 400 T N 0.322 114.859 114.554 -0.029 0.000 2.838 400 T HA 0.589 4.965 4.350 0.044 0.000 0.292 400 T C -2.110 172.553 174.700 -0.063 0.000 1.113 400 T CA -1.460 60.617 62.100 -0.038 0.000 1.008 400 T CB 1.346 70.192 68.868 -0.037 0.000 1.259 400 T HN 0.512 nan 8.240 nan 0.000 0.520 401 P HA 0.009 nan 4.420 nan 0.000 0.231 401 P C 0.545 177.631 177.300 -0.356 0.000 1.158 401 P CA 0.971 63.937 63.100 -0.223 0.000 0.763 401 P CB -0.166 31.369 31.700 -0.276 0.000 0.805 402 H N -0.848 118.163 119.070 -0.099 0.000 2.486 402 H HA 0.395 4.977 4.556 0.044 0.000 0.284 402 H C 1.180 176.428 175.328 -0.134 0.000 1.103 402 H CA 0.520 56.494 56.048 -0.124 0.000 1.089 402 H CB 0.379 30.034 29.762 -0.179 0.000 1.603 402 H HN 0.139 nan 8.280 nan 0.000 0.557 403 G N 1.321 110.110 108.800 -0.018 0.000 2.746 403 G HA2 -0.233 3.754 3.960 0.044 0.000 0.685 403 G HA3 -0.233 3.754 3.960 0.044 0.000 0.685 403 G C -0.415 174.469 174.900 -0.027 0.000 1.350 403 G CA -0.752 44.340 45.100 -0.013 0.000 0.837 403 G HN 0.143 nan 8.290 nan 0.000 0.564 404 I N 0.792 121.364 120.570 0.004 0.000 3.055 404 I HA 0.202 4.398 4.170 0.044 0.000 0.308 404 I C 1.149 177.246 176.117 -0.034 0.000 1.224 404 I CA 0.853 62.157 61.300 0.007 0.000 1.443 404 I CB 0.013 38.046 38.000 0.055 0.000 1.318 404 I HN 0.634 nan 8.210 nan 0.000 0.577 405 R N 3.547 124.010 120.500 -0.061 0.000 2.668 405 R HA 0.659 5.025 4.340 0.044 0.000 0.272 405 R C -1.241 174.978 176.300 -0.135 0.000 1.019 405 R CA -1.100 54.954 56.100 -0.077 0.000 0.894 405 R CB 1.886 32.109 30.300 -0.128 0.000 1.228 405 R HN 0.656 nan 8.270 nan 0.000 0.460 406 A N 3.798 126.525 122.820 -0.154 0.000 2.527 406 A HA 0.380 4.726 4.320 0.044 0.000 0.313 406 A C 0.261 177.844 177.584 -0.002 0.000 1.410 406 A CA -0.407 51.529 52.037 -0.168 0.000 1.060 406 A CB -0.345 18.508 19.000 -0.245 0.000 1.137 406 A HN 0.509 nan 8.150 nan 0.000 0.542 407 L N 2.941 124.143 121.223 -0.035 0.000 2.361 407 L HA 0.143 4.509 4.340 0.044 0.000 0.278 407 L C 0.284 177.201 176.870 0.079 0.000 1.113 407 L CA -0.718 54.075 54.840 -0.078 0.000 0.849 407 L CB 0.427 42.210 42.059 -0.460 0.000 1.155 407 L HN 0.559 nan 8.230 nan 0.000 0.452 408 L N 3.543 124.868 121.223 0.170 0.000 2.499 408 L HA -0.011 4.356 4.340 0.044 0.000 0.273 408 L C 0.437 177.409 176.870 0.169 0.000 1.195 408 L CA 0.313 55.197 54.840 0.073 0.000 0.882 408 L CB 0.228 42.209 42.059 -0.129 0.000 1.133 408 L HN 0.528 nan 8.230 nan 0.000 0.483 409 D N 3.200 123.642 120.400 0.069 0.000 2.586 409 D HA -0.159 4.507 4.640 0.044 0.000 0.234 409 D C 1.194 177.512 176.300 0.030 0.000 1.132 409 D CA 0.489 54.528 54.000 0.064 0.000 0.860 409 D CB 0.508 41.310 40.800 0.004 0.000 1.159 409 D HN 0.551 nan 8.370 nan 0.000 0.490 410 I N 3.300 123.884 120.570 0.024 0.000 2.315 410 I HA -0.184 4.012 4.170 0.044 0.000 0.248 410 I C 2.371 178.459 176.117 -0.049 0.000 1.117 410 I CA 1.776 63.035 61.300 -0.069 0.000 1.404 410 I CB -0.461 37.467 38.000 -0.119 0.000 1.071 410 I HN 0.779 nan 8.210 nan 0.000 0.419 411 T N -2.875 111.664 114.554 -0.025 0.000 2.867 411 T HA -0.113 4.264 4.350 0.044 0.000 0.268 411 T C 2.095 176.754 174.700 -0.068 0.000 1.057 411 T CA 1.654 63.740 62.100 -0.023 0.000 1.136 411 T CB -0.601 68.270 68.868 0.005 0.000 0.874 411 T HN 0.246 nan 8.240 nan 0.000 0.466 412 S N 0.836 116.482 115.700 -0.090 0.000 2.399 412 S HA 0.091 4.587 4.470 0.044 0.000 0.231 412 S C 1.812 176.353 174.600 -0.097 0.000 1.022 412 S CA 1.150 59.274 58.200 -0.126 0.000 0.983 412 S CB -0.421 62.702 63.200 -0.128 0.000 0.803 412 S HN 0.547 nan 8.310 nan 0.000 0.480 413 I N 1.291 121.826 120.570 -0.058 0.000 2.130 413 I HA -0.159 4.037 4.170 0.044 0.000 0.234 413 I C 2.842 178.973 176.117 0.024 0.000 1.067 413 I CA 1.595 62.891 61.300 -0.006 0.000 1.339 413 I CB -0.901 37.126 38.000 0.045 0.000 1.073 413 I HN 0.361 nan 8.210 nan 0.000 0.405 414 T N -0.906 113.642 114.554 -0.009 0.000 2.897 414 T HA -0.240 4.136 4.350 0.044 0.000 0.271 414 T C 1.934 176.395 174.700 -0.398 0.000 1.084 414 T CA 1.114 63.142 62.100 -0.120 0.000 1.123 414 T CB -0.502 68.224 68.868 -0.236 0.000 0.865 414 T HN 0.281 nan 8.240 nan 0.000 0.496 415 R N 0.777 121.175 120.500 -0.170 0.000 2.092 415 R HA -0.039 4.327 4.340 0.044 0.000 0.231 415 R C 2.659 178.967 176.300 0.015 0.000 1.119 415 R CA 1.319 57.412 56.100 -0.011 0.000 0.970 415 R CB -0.284 30.039 30.300 0.038 0.000 0.864 415 R HN 0.507 nan 8.270 nan 0.000 0.440 416 Q N -0.851 118.886 119.800 -0.104 0.000 2.226 416 Q HA -0.146 4.220 4.340 0.044 0.000 0.204 416 Q C 1.464 177.302 176.000 -0.269 0.000 0.975 416 Q CA 1.503 57.205 55.803 -0.168 0.000 0.866 416 Q CB 0.033 28.587 28.738 -0.308 0.000 0.915 416 Q HN 0.331 nan 8.270 nan 0.000 0.440 417 F N -1.936 117.853 119.950 -0.269 0.000 2.293 417 F HA -0.121 4.433 4.527 0.044 0.000 0.297 417 F C 1.346 177.005 175.800 -0.236 0.000 1.089 417 F CA 0.638 58.476 58.000 -0.269 0.000 1.377 417 F CB -0.088 38.657 39.000 -0.424 0.000 1.051 417 F HN 0.109 nan 8.300 nan 0.000 0.511 418 Y N -2.392 117.828 120.300 -0.132 0.000 2.457 418 Y HA -0.016 4.560 4.550 0.044 0.000 0.292 418 Y C -0.100 175.545 175.900 -0.425 0.000 1.125 418 Y CA -0.582 57.269 58.100 -0.416 0.000 1.254 418 Y CB -1.068 36.998 38.460 -0.657 0.000 1.012 418 Y HN -0.087 nan 8.280 nan 0.000 0.555 419 W N -0.031 121.371 121.300 0.171 0.000 2.975 419 W HA 0.660 5.346 4.660 0.044 0.000 0.342 419 W C -1.215 175.363 176.519 0.099 0.000 1.168 419 W CA -1.379 56.074 57.345 0.181 0.000 1.141 419 W CB 1.234 30.837 29.460 0.237 0.000 1.445 419 W HN -0.374 nan 8.180 nan 0.000 0.560 420 L N -0.630 120.788 121.223 0.324 0.000 2.472 420 L HA 0.678 5.044 4.340 0.044 0.000 0.260 420 L C -0.635 176.194 176.870 -0.068 0.000 0.963 420 L CA -1.349 53.526 54.840 0.057 0.000 0.829 420 L CB 1.676 43.639 42.059 -0.160 0.000 1.348 420 L HN 0.280 nan 8.230 nan 0.000 0.408 421 K N 0.972 121.206 120.400 -0.276 0.000 2.102 421 K HA 0.845 5.191 4.320 0.044 0.000 0.244 421 K C 0.033 176.568 176.600 -0.108 0.000 1.021 421 K CA 0.398 56.442 56.287 -0.405 0.000 0.913 421 K CB 1.618 33.820 32.500 -0.497 0.000 1.062 421 K HN 0.905 nan 8.250 nan 0.000 0.485 422 A N 0.653 123.435 122.820 -0.063 0.000 3.155 422 A HA 0.014 4.360 4.320 0.044 0.000 0.119 422 A C -1.546 176.087 177.584 0.082 0.000 1.394 422 A CA -0.545 51.553 52.037 0.102 0.000 1.870 422 A CB -0.130 19.046 19.000 0.293 0.000 1.800 422 A HN 0.774 nan 8.150 nan 0.000 0.783 423 N N 1.693 120.496 118.700 0.171 0.000 2.362 423 N HA 0.398 5.164 4.740 0.044 0.000 0.298 423 N C -0.865 174.685 175.510 0.066 0.000 1.048 423 N CA -0.721 52.402 53.050 0.122 0.000 0.858 423 N CB 1.335 39.911 38.487 0.147 0.000 1.218 423 N HN 0.440 nan 8.380 nan 0.000 0.488 424 R N 0.876 121.382 120.500 0.010 0.000 2.485 424 R HA 0.078 4.444 4.340 0.044 0.000 0.304 424 R C -0.291 176.031 176.300 0.037 0.000 0.934 424 R CA 0.697 56.784 56.100 -0.021 0.000 1.102 424 R CB -0.389 29.908 30.300 -0.005 0.000 0.906 424 R HN 0.709 nan 8.270 nan 0.000 0.407 425 T N 0.203 114.764 114.554 0.012 0.000 2.840 425 T HA 0.108 4.484 4.350 0.044 0.000 0.317 425 T C 0.694 175.481 174.700 0.144 0.000 1.401 425 T CA -0.525 61.647 62.100 0.120 0.000 1.028 425 T CB 1.463 70.492 68.868 0.269 0.000 1.317 425 T HN 0.428 nan 8.240 nan 0.000 0.495 426 S N 1.315 117.164 115.700 0.248 0.000 2.515 426 S HA 0.082 4.579 4.470 0.044 0.000 0.231 426 S C 0.307 175.176 174.600 0.449 0.000 0.987 426 S CA 0.530 58.966 58.200 0.393 0.000 0.936 426 S CB 0.001 63.353 63.200 0.254 0.000 0.766 426 S HN 0.509 nan 8.310 nan 0.000 0.528 427 D N 0.119 120.720 120.400 0.336 0.000 2.457 427 D HA 0.310 4.976 4.640 0.044 0.000 0.240 427 D C -2.244 174.253 176.300 0.328 0.000 1.041 427 D CA -1.901 52.295 54.000 0.327 0.000 0.861 427 D CB 2.210 43.165 40.800 0.258 0.000 1.394 427 D HN -0.098 nan 8.370 nan 0.000 0.473 428 P HA 0.184 nan 4.420 nan 0.000 0.261 428 P C 0.664 178.181 177.300 0.361 0.000 1.268 428 P CA 0.050 63.373 63.100 0.371 0.000 0.833 428 P CB 0.879 32.841 31.700 0.437 0.000 1.231 429 S N -0.351 115.517 115.700 0.281 0.000 2.460 429 S HA 0.052 4.549 4.470 0.044 0.000 0.226 429 S C 0.975 175.662 174.600 0.145 0.000 1.057 429 S CA 0.078 58.389 58.200 0.185 0.000 0.948 429 S CB -0.248 63.035 63.200 0.138 0.000 0.822 429 S HN 0.283 nan 8.310 nan 0.000 0.512 430 S N 3.013 118.803 115.700 0.151 0.000 2.576 430 S HA 0.326 4.823 4.470 0.044 0.000 0.276 430 S C -2.826 171.762 174.600 -0.020 0.000 1.339 430 S CA -1.331 56.912 58.200 0.072 0.000 1.039 430 S CB -0.286 62.963 63.200 0.081 0.000 0.902 430 S HN 0.078 nan 8.310 nan 0.000 0.516 431 P HA 0.126 nan 4.420 nan 0.000 0.261 431 P C -2.375 174.829 177.300 -0.160 0.000 1.158 431 P CA -0.396 62.678 63.100 -0.043 0.000 0.758 431 P CB -0.802 30.897 31.700 -0.002 0.000 0.763 432 P HA 0.352 nan 4.420 nan 0.000 0.285 432 P C -0.958 176.390 177.300 0.079 0.000 1.269 432 P CA -0.878 62.104 63.100 -0.197 0.000 0.844 432 P CB 1.098 32.803 31.700 0.009 0.000 1.094 433 A N 2.262 125.127 122.820 0.074 0.000 3.245 433 A HA 0.491 4.838 4.320 0.044 0.000 0.282 433 A C -0.007 177.647 177.584 0.116 0.000 1.417 433 A CA -0.637 51.437 52.037 0.060 0.000 1.149 433 A CB -1.541 17.481 19.000 0.038 0.000 1.155 433 A HN 0.531 nan 8.150 nan 0.000 0.602 434 F N -0.759 119.202 119.950 0.018 0.000 2.403 434 F HA 0.754 5.307 4.527 0.043 0.000 0.326 434 F C -0.182 175.631 175.800 0.022 0.000 1.099 434 F CA -1.517 56.502 58.000 0.032 0.000 1.036 434 F CB 0.798 39.828 39.000 0.050 0.000 1.336 434 F HN 0.134 nan 8.300 nan 0.000 0.497 435 D N 0.439 120.941 120.400 0.170 0.000 2.472 435 D HA 0.239 4.905 4.640 0.044 0.000 0.234 435 D C 0.936 177.309 176.300 0.122 0.000 1.088 435 D CA -0.719 53.301 54.000 0.033 0.000 0.882 435 D CB 0.752 41.596 40.800 0.073 0.000 1.037 435 D HN 0.536 nan 8.370 nan 0.000 0.520 436 R N 2.906 123.377 120.500 -0.049 0.000 2.133 436 R HA -0.248 4.118 4.340 0.044 0.000 0.247 436 R C 1.664 178.036 176.300 0.120 0.000 1.151 436 R CA 1.069 57.231 56.100 0.103 0.000 0.971 436 R CB -0.817 29.482 30.300 -0.002 0.000 0.866 436 R HN 0.548 nan 8.270 nan 0.000 0.447 437 Q N 0.650 120.488 119.800 0.064 0.000 2.045 437 Q HA -0.145 4.221 4.340 0.044 0.000 0.206 437 Q C 2.197 178.243 176.000 0.077 0.000 0.991 437 Q CA 2.171 58.010 55.803 0.060 0.000 0.851 437 Q CB -0.115 28.645 28.738 0.036 0.000 0.911 437 Q HN 0.485 nan 8.270 nan 0.000 0.418 438 A N 0.454 123.325 122.820 0.085 0.000 1.873 438 A HA -0.188 4.158 4.320 0.044 0.000 0.215 438 A C 2.013 179.648 177.584 0.085 0.000 1.186 438 A CA 1.530 53.613 52.037 0.076 0.000 0.616 438 A CB -0.558 18.483 19.000 0.069 0.000 0.823 438 A HN 0.311 nan 8.150 nan 0.000 0.442 439 R N 0.451 121.030 120.500 0.132 0.000 2.091 439 R HA -0.090 4.277 4.340 0.044 0.000 0.238 439 R C 2.219 178.572 176.300 0.088 0.000 1.136 439 R CA 2.300 58.465 56.100 0.109 0.000 0.959 439 R CB -0.831 29.587 30.300 0.197 0.000 0.856 439 R HN 0.407 nan 8.270 nan 0.000 0.437 440 S N -0.197 115.572 115.700 0.116 0.000 2.399 440 S HA -0.058 4.438 4.470 0.044 0.000 0.231 440 S C 1.839 176.491 174.600 0.086 0.000 1.022 440 S CA 0.992 59.253 58.200 0.103 0.000 0.983 440 S CB -0.253 63.008 63.200 0.102 0.000 0.803 440 S HN 0.575 nan 8.310 nan 0.000 0.480 441 A N 1.082 123.949 122.820 0.079 0.000 1.929 441 A HA -0.125 4.221 4.320 0.044 0.000 0.216 441 A C 2.079 179.713 177.584 0.083 0.000 1.176 441 A CA 1.385 53.472 52.037 0.083 0.000 0.628 441 A CB -0.572 18.471 19.000 0.072 0.000 0.816 441 A HN 0.539 nan 8.150 nan 0.000 0.444 442 Q N -0.313 119.517 119.800 0.049 0.000 2.079 442 Q HA -0.103 4.263 4.340 0.044 0.000 0.200 442 Q C 1.999 177.992 176.000 -0.012 0.000 0.974 442 Q CA 1.376 57.191 55.803 0.020 0.000 0.840 442 Q CB -0.175 28.549 28.738 -0.023 0.000 0.898 442 Q HN 0.681 nan 8.270 nan 0.000 0.430 443 L N 0.524 121.719 121.223 -0.047 0.000 2.044 443 L HA -0.144 4.222 4.340 0.044 0.000 0.205 443 L C 2.490 179.410 176.870 0.083 0.000 1.075 443 L CA 0.867 55.640 54.840 -0.112 0.000 0.747 443 L CB -0.619 41.395 42.059 -0.075 0.000 0.903 443 L HN 0.231 nan 8.230 nan 0.000 0.435 444 E N 0.616 120.888 120.200 0.120 0.000 2.086 444 E HA -0.245 4.131 4.350 0.044 0.000 0.200 444 E C 1.893 178.601 176.600 0.180 0.000 1.012 444 E CA 1.448 57.936 56.400 0.147 0.000 0.812 444 E CB -0.479 29.293 29.700 0.119 0.000 0.743 444 E HN 0.517 nan 8.360 nan 0.000 0.453 445 N N 0.936 119.770 118.700 0.223 0.000 2.043 445 N HA -0.146 4.620 4.740 0.044 0.000 0.193 445 N C 1.861 177.622 175.510 0.417 0.000 1.037 445 N CA 1.542 54.816 53.050 0.375 0.000 0.851 445 N CB -0.685 38.037 38.487 0.391 0.000 1.027 445 N HN 0.191 nan 8.380 nan 0.000 0.422 446 A N 1.472 124.476 122.820 0.306 0.000 1.903 446 A HA -0.172 4.175 4.320 0.044 0.000 0.219 446 A C 2.424 180.232 177.584 0.373 0.000 1.191 446 A CA 1.382 53.599 52.037 0.301 0.000 0.638 446 A CB -0.986 18.004 19.000 -0.016 0.000 0.823 446 A HN 0.263 nan 8.150 nan 0.000 0.451 447 L N -1.052 120.372 121.223 0.335 0.000 2.017 447 L HA -0.203 4.163 4.340 0.044 0.000 0.208 447 L C 3.147 180.210 176.870 0.322 0.000 1.073 447 L CA 1.148 56.194 54.840 0.343 0.000 0.745 447 L CB -0.638 41.611 42.059 0.317 0.000 0.894 447 L HN 0.446 nan 8.230 nan 0.000 0.432 448 A N -0.680 122.247 122.820 0.179 0.000 1.948 448 A HA -0.277 4.069 4.320 0.044 0.000 0.220 448 A C 2.078 179.695 177.584 0.056 0.000 1.177 448 A CA 1.748 53.763 52.037 -0.036 0.000 0.636 448 A CB -0.995 17.765 19.000 -0.401 0.000 0.815 448 A HN 0.414 nan 8.150 nan 0.000 0.449 449 Y N -0.389 120.106 120.300 0.325 0.000 2.114 449 Y HA -0.152 4.424 4.550 0.043 0.000 0.284 449 Y C 2.964 179.000 175.900 0.227 0.000 1.143 449 Y CA 1.205 59.487 58.100 0.304 0.000 1.135 449 Y CB -0.366 38.279 38.460 0.310 0.000 0.980 449 Y HN 0.342 nan 8.280 nan 0.000 0.499 450 A N -0.159 122.910 122.820 0.414 0.000 2.019 450 A HA -0.226 4.120 4.320 0.044 0.000 0.219 450 A C 2.331 180.205 177.584 0.483 0.000 1.164 450 A CA 1.802 54.047 52.037 0.347 0.000 0.644 450 A CB -1.121 18.004 19.000 0.208 0.000 0.805 450 A HN 0.540 nan 8.150 nan 0.000 0.449 451 S N -0.568 115.400 115.700 0.448 0.000 2.440 451 S HA -0.220 4.276 4.470 0.044 0.000 0.238 451 S C 1.648 176.276 174.600 0.046 0.000 1.010 451 S CA 1.354 59.659 58.200 0.175 0.000 0.972 451 S CB -0.412 62.648 63.200 -0.234 0.000 0.774 451 S HN 0.592 nan 8.310 nan 0.000 0.501 452 Q N 0.699 120.490 119.800 -0.015 0.000 2.369 452 Q HA -0.009 4.358 4.340 0.044 0.000 0.206 452 Q C 1.244 177.228 176.000 -0.026 0.000 0.963 452 Q CA 1.130 56.839 55.803 -0.157 0.000 0.894 452 Q CB -0.596 27.896 28.738 -0.410 0.000 0.965 452 Q HN 0.799 nan 8.270 nan 0.000 0.475 453 H N -0.132 118.970 119.070 0.053 0.000 2.555 453 H HA 0.239 4.821 4.556 0.044 0.000 0.269 453 H C 0.828 176.216 175.328 0.099 0.000 0.988 453 H CA 0.784 56.880 56.048 0.081 0.000 1.178 453 H CB 0.093 29.921 29.762 0.111 0.000 1.373 453 H HN 0.364 nan 8.280 nan 0.000 0.588 454 G N -0.349 108.598 108.800 0.244 0.000 2.707 454 G HA2 -0.188 3.798 3.960 0.044 0.000 0.686 454 G HA3 -0.188 3.798 3.960 0.044 0.000 0.686 454 G C -1.856 173.153 174.900 0.183 0.000 1.315 454 G CA -0.464 44.757 45.100 0.201 0.000 0.832 454 G HN 0.097 nan 8.290 nan 0.000 0.573 455 P HA 0.024 nan 4.420 nan 0.000 0.216 455 P C 2.155 179.410 177.300 -0.075 0.000 1.153 455 P CA 1.565 64.461 63.100 -0.339 0.000 0.844 455 P CB 0.027 31.413 31.700 -0.523 0.000 0.787 456 V N 0.646 120.544 119.914 -0.025 0.000 2.252 456 V HA -0.271 3.875 4.120 0.044 0.000 0.249 456 V C 2.562 178.678 176.094 0.038 0.000 1.056 456 V CA 3.139 65.439 62.300 0.001 0.000 1.022 456 V CB -1.269 30.557 31.823 0.006 0.000 0.641 456 V HN 0.180 nan 8.190 nan 0.000 0.445 457 M N -1.041 118.606 119.600 0.078 0.000 2.476 457 M HA 0.108 4.615 4.480 0.044 0.000 0.262 457 M C 1.823 178.161 176.300 0.064 0.000 1.111 457 M CA 1.432 56.766 55.300 0.057 0.000 1.127 457 M CB -1.271 31.365 32.600 0.060 0.000 1.376 457 M HN 0.200 nan 8.290 nan 0.000 0.465 458 F N 2.033 121.989 119.950 0.010 0.000 2.120 458 F HA -0.233 4.320 4.527 0.044 0.000 0.300 458 F C 1.870 177.665 175.800 -0.009 0.000 1.095 458 F CA 2.443 60.466 58.000 0.038 0.000 1.249 458 F CB -0.623 38.473 39.000 0.160 0.000 0.995 458 F HN 0.375 nan 8.300 nan 0.000 0.480 459 D N -0.398 120.038 120.400 0.061 0.000 2.221 459 D HA -0.210 4.456 4.640 0.044 0.000 0.204 459 D C 2.316 178.516 176.300 -0.167 0.000 0.982 459 D CA 1.879 55.843 54.000 -0.059 0.000 0.857 459 D CB -0.359 40.452 40.800 0.018 0.000 0.934 459 D HN 0.468 nan 8.370 nan 0.000 0.475 460 T N -2.452 112.018 114.554 -0.140 0.000 2.904 460 T HA -0.070 4.307 4.350 0.044 0.000 0.267 460 T C 2.012 176.576 174.700 -0.225 0.000 1.059 460 T CA 1.236 63.253 62.100 -0.137 0.000 1.137 460 T CB -0.534 68.280 68.868 -0.090 0.000 0.879 460 T HN -0.011 nan 8.240 nan 0.000 0.467 461 V N 1.395 121.113 119.914 -0.326 0.000 2.453 461 V HA 0.009 4.155 4.120 0.044 0.000 0.247 461 V C 2.922 178.694 176.094 -0.537 0.000 1.048 461 V CA 1.808 63.848 62.300 -0.432 0.000 1.049 461 V CB -0.821 30.782 31.823 -0.368 0.000 0.672 461 V HN 0.495 nan 8.190 nan 0.000 0.457 462 R N -0.059 120.080 120.500 -0.602 0.000 2.094 462 R HA -0.245 4.121 4.340 0.044 0.000 0.239 462 R C 2.483 178.631 176.300 -0.254 0.000 1.137 462 R CA 1.957 57.792 56.100 -0.441 0.000 0.943 462 R CB -0.298 29.763 30.300 -0.397 0.000 0.850 462 R HN 0.386 nan 8.270 nan 0.000 0.433 463 Q N 0.639 120.321 119.800 -0.197 0.000 2.047 463 Q HA -0.232 4.135 4.340 0.044 0.000 0.211 463 Q C 2.193 178.145 176.000 -0.080 0.000 1.005 463 Q CA 2.213 57.953 55.803 -0.104 0.000 0.866 463 Q CB -0.594 28.104 28.738 -0.066 0.000 0.938 463 Q HN 0.481 nan 8.270 nan 0.000 0.414 464 I N 0.243 120.721 120.570 -0.154 0.000 2.163 464 I HA -0.321 3.875 4.170 0.044 0.000 0.243 464 I C 2.256 178.261 176.117 -0.185 0.000 1.085 464 I CA 1.345 62.582 61.300 -0.104 0.000 1.347 464 I CB -0.468 37.271 38.000 -0.435 0.000 1.044 464 I HN 0.154 nan 8.210 nan 0.000 0.408 465 A N 0.959 123.487 122.820 -0.487 0.000 1.877 465 A HA -0.177 4.169 4.320 0.044 0.000 0.216 465 A C 2.243 179.814 177.584 -0.022 0.000 1.186 465 A CA 1.411 53.267 52.037 -0.301 0.000 0.620 465 A CB -0.653 18.221 19.000 -0.210 0.000 0.822 465 A HN 0.295 nan 8.150 nan 0.000 0.443 466 I N 0.306 120.850 120.570 -0.042 0.000 2.068 466 I HA -0.304 3.892 4.170 0.044 0.000 0.238 466 I C 2.410 178.522 176.117 -0.008 0.000 1.046 466 I CA 2.337 63.632 61.300 -0.009 0.000 1.306 466 I CB -1.390 36.596 38.000 -0.024 0.000 1.023 466 I HN 0.473 nan 8.210 nan 0.000 0.399 467 K N 0.203 120.586 120.400 -0.028 0.000 2.152 467 K HA -0.168 4.178 4.320 0.044 0.000 0.206 467 K C 1.987 178.495 176.600 -0.153 0.000 1.048 467 K CA 1.918 58.124 56.287 -0.134 0.000 0.933 467 K CB 0.006 32.376 32.500 -0.216 0.000 0.721 467 K HN 0.356 nan 8.250 nan 0.000 0.447 468 T N 0.483 115.077 114.554 0.067 0.000 2.737 468 T HA -0.062 4.315 4.350 0.044 0.000 0.265 468 T C 1.912 176.689 174.700 0.128 0.000 1.038 468 T CA 1.194 63.419 62.100 0.208 0.000 1.144 468 T CB -0.296 68.900 68.868 0.548 0.000 0.866 468 T HN 0.383 nan 8.240 nan 0.000 0.434 469 A N 1.491 124.385 122.820 0.124 0.000 2.019 469 A HA -0.176 4.171 4.320 0.044 0.000 0.219 469 A C 2.266 179.883 177.584 0.056 0.000 1.164 469 A CA 1.441 53.541 52.037 0.105 0.000 0.644 469 A CB -0.560 18.500 19.000 0.099 0.000 0.805 469 A HN 0.603 nan 8.150 nan 0.000 0.449 470 Q N -0.917 118.888 119.800 0.008 0.000 2.008 470 Q HA -0.011 4.355 4.340 0.044 0.000 0.196 470 Q C 2.338 178.322 176.000 -0.026 0.000 0.973 470 Q CA 0.982 56.774 55.803 -0.018 0.000 0.826 470 Q CB -0.574 28.133 28.738 -0.051 0.000 0.894 470 Q HN 0.599 nan 8.270 nan 0.000 0.439 471 G N 1.348 110.104 108.800 -0.073 0.000 2.505 471 G HA2 -0.296 3.690 3.960 0.044 0.000 0.220 471 G HA3 -0.296 3.690 3.960 0.044 0.000 0.220 471 G C 1.074 175.983 174.900 0.015 0.000 1.145 471 G CA 0.950 46.010 45.100 -0.067 0.000 0.761 471 G HN 0.314 nan 8.290 nan 0.000 0.571 472 E N -0.189 120.047 120.200 0.059 0.000 2.479 472 E HA 0.293 4.669 4.350 0.044 0.000 0.193 472 E C 1.363 178.057 176.600 0.156 0.000 1.049 472 E CA 0.056 56.544 56.400 0.146 0.000 0.870 472 E CB 0.083 29.887 29.700 0.173 0.000 0.944 472 E HN 0.371 nan 8.360 nan 0.000 0.492 473 G N 1.986 110.841 108.800 0.091 0.000 2.359 473 G HA2 -0.272 3.715 3.960 0.044 0.000 0.298 473 G HA3 -0.272 3.715 3.960 0.044 0.000 0.298 473 G C -0.191 174.761 174.900 0.086 0.000 1.030 473 G CA 0.368 45.510 45.100 0.071 0.000 1.149 473 G HN 0.132 nan 8.290 nan 0.000 0.512 474 L N -1.157 120.122 121.223 0.093 0.000 2.256 474 L HA 0.911 5.277 4.340 0.044 0.000 0.261 474 L C 0.185 177.103 176.870 0.079 0.000 1.022 474 L CA -1.503 53.397 54.840 0.099 0.000 0.828 474 L CB 2.259 44.399 42.059 0.135 0.000 1.374 474 L HN 0.303 nan 8.230 nan 0.000 0.436 475 V N 1.848 121.809 119.914 0.078 0.000 2.577 475 V HA 0.559 4.705 4.120 0.044 0.000 0.303 475 V C -1.322 174.821 176.094 0.083 0.000 1.042 475 V CA -0.303 62.040 62.300 0.072 0.000 0.872 475 V CB 1.843 33.698 31.823 0.054 0.000 0.998 475 V HN 0.566 nan 8.190 nan 0.000 0.423 476 L N 6.586 127.864 121.223 0.091 0.000 2.353 476 L HA 0.439 4.806 4.340 0.044 0.000 0.270 476 L C 0.812 177.741 176.870 0.099 0.000 1.003 476 L CA -0.555 54.350 54.840 0.109 0.000 0.862 476 L CB 1.825 43.969 42.059 0.141 0.000 1.221 476 L HN 0.582 nan 8.230 nan 0.000 0.430 477 V N 1.924 121.889 119.914 0.086 0.000 2.427 477 V HA -0.214 3.933 4.120 0.044 0.000 0.248 477 V C 1.548 177.693 176.094 0.085 0.000 1.051 477 V CA 1.727 64.069 62.300 0.071 0.000 1.048 477 V CB -0.479 31.373 31.823 0.049 0.000 0.666 477 V HN 0.794 nan 8.190 nan 0.000 0.456 478 N N -0.367 118.396 118.700 0.105 0.000 2.471 478 N HA -0.053 4.713 4.740 0.044 0.000 0.205 478 N C 1.222 176.880 175.510 0.248 0.000 1.251 478 N CA 0.285 53.424 53.050 0.148 0.000 0.843 478 N CB 0.081 38.652 38.487 0.140 0.000 1.044 478 N HN 0.307 nan 8.380 nan 0.000 0.461 479 T N -0.119 114.551 114.554 0.194 0.000 3.067 479 T HA -0.059 4.317 4.350 0.044 0.000 0.261 479 T C 0.561 175.421 174.700 0.266 0.000 1.110 479 T CA 0.313 62.530 62.100 0.195 0.000 1.113 479 T CB -0.085 68.853 68.868 0.115 0.000 0.917 479 T HN 0.336 nan 8.240 nan 0.000 0.499 480 N N 0.292 119.121 118.700 0.215 0.000 2.422 480 N HA -0.004 4.762 4.740 0.044 0.000 0.264 480 N C 0.585 176.207 175.510 0.187 0.000 1.063 480 N CA -0.191 52.978 53.050 0.198 0.000 0.959 480 N CB 0.662 39.211 38.487 0.103 0.000 1.087 480 N HN 0.114 nan 8.380 nan 0.000 0.483 481 Y N 4.287 124.587 120.300 -0.001 0.000 2.241 481 Y HA -0.223 4.354 4.550 0.044 0.000 0.286 481 Y C 1.394 177.102 175.900 -0.321 0.000 1.166 481 Y CA 1.808 59.648 58.100 -0.433 0.000 1.203 481 Y CB 0.120 38.323 38.460 -0.428 0.000 0.977 481 Y HN 0.630 nan 8.280 nan 0.000 0.529 482 D N -0.850 119.441 120.400 -0.183 0.000 2.277 482 D HA -0.108 4.559 4.640 0.044 0.000 0.208 482 D C 1.838 178.005 176.300 -0.221 0.000 0.962 482 D CA 0.771 54.624 54.000 -0.245 0.000 0.865 482 D CB 0.092 40.831 40.800 -0.100 0.000 0.939 482 D HN 0.413 nan 8.370 nan 0.000 0.510 483 Q N 0.847 120.562 119.800 -0.142 0.000 2.033 483 Q HA 0.071 4.437 4.340 0.044 0.000 0.196 483 Q C 2.060 177.964 176.000 -0.160 0.000 0.970 483 Q CA 1.367 57.104 55.803 -0.110 0.000 0.828 483 Q CB -0.380 28.338 28.738 -0.033 0.000 0.895 483 Q HN 0.136 nan 8.270 nan 0.000 0.440 484 A N 0.551 123.291 122.820 -0.133 0.000 1.884 484 A HA -0.243 4.103 4.320 0.044 0.000 0.219 484 A C 2.098 179.502 177.584 -0.301 0.000 1.197 484 A CA 1.775 53.722 52.037 -0.150 0.000 0.637 484 A CB -1.128 17.877 19.000 0.008 0.000 0.827 484 A HN 0.446 nan 8.150 nan 0.000 0.450 485 L N -1.118 119.844 121.223 -0.436 0.000 2.042 485 L HA -0.251 4.115 4.340 0.044 0.000 0.210 485 L C 3.119 179.783 176.870 -0.342 0.000 1.076 485 L CA 1.184 55.752 54.840 -0.454 0.000 0.749 485 L CB -0.568 41.139 42.059 -0.587 0.000 0.893 485 L HN 0.501 nan 8.230 nan 0.000 0.432 486 A N -0.614 122.029 122.820 -0.295 0.000 1.898 486 A HA -0.236 4.110 4.320 0.044 0.000 0.216 486 A C 2.435 179.841 177.584 -0.296 0.000 1.181 486 A CA 2.262 54.154 52.037 -0.242 0.000 0.620 486 A CB -0.826 18.066 19.000 -0.179 0.000 0.819 486 A HN 0.470 nan 8.150 nan 0.000 0.442 487 T N -3.106 111.226 114.554 -0.370 0.000 2.942 487 T HA -0.145 4.232 4.350 0.044 0.000 0.265 487 T C 1.732 175.819 174.700 -1.021 0.000 1.062 487 T CA 1.456 63.215 62.100 -0.567 0.000 1.139 487 T CB -0.420 68.172 68.868 -0.460 0.000 0.883 487 T HN 0.469 nan 8.240 nan 0.000 0.468 488 Y N 2.196 121.948 120.300 -0.913 0.000 2.089 488 Y HA -0.088 4.488 4.550 0.044 0.000 0.282 488 Y C 2.537 178.174 175.900 -0.439 0.000 1.139 488 Y CA 2.086 59.684 58.100 -0.837 0.000 1.123 488 Y CB -0.684 37.470 38.460 -0.509 0.000 0.980 488 Y HN 0.316 nan 8.280 nan 0.000 0.493 489 N N 0.242 118.800 118.700 -0.237 0.000 2.091 489 N HA -0.275 4.491 4.740 0.044 0.000 0.193 489 N C 1.840 177.269 175.510 -0.135 0.000 1.021 489 N CA 1.755 54.707 53.050 -0.163 0.000 0.862 489 N CB -0.588 37.787 38.487 -0.187 0.000 1.018 489 N HN 0.509 nan 8.380 nan 0.000 0.429 490 A N 0.034 122.721 122.820 -0.223 0.000 1.873 490 A HA -0.186 4.160 4.320 0.044 0.000 0.218 490 A C 1.923 179.501 177.584 -0.009 0.000 1.193 490 A CA 1.726 53.683 52.037 -0.133 0.000 0.629 490 A CB -1.256 17.634 19.000 -0.183 0.000 0.826 490 A HN 0.527 nan 8.150 nan 0.000 0.447 491 W N -1.340 119.838 121.300 -0.203 0.000 2.354 491 W HA -0.115 4.572 4.660 0.044 0.000 0.315 491 W C 2.232 178.623 176.519 -0.214 0.000 1.206 491 W CA 0.689 57.886 57.345 -0.246 0.000 1.290 491 W CB -1.666 27.548 29.460 -0.411 0.000 1.152 491 W HN 0.428 nan 8.180 nan 0.000 0.489 492 F N 1.453 121.318 119.950 -0.141 0.000 2.113 492 F HA -0.161 4.393 4.527 0.044 0.000 0.297 492 F C 2.433 178.199 175.800 -0.056 0.000 1.103 492 F CA 2.255 60.174 58.000 -0.135 0.000 1.248 492 F CB -0.587 38.312 39.000 -0.169 0.000 0.999 492 F HN -0.168 nan 8.300 nan 0.000 0.475 493 I N -1.456 119.216 120.570 0.170 0.000 2.286 493 I HA -0.039 4.157 4.170 0.044 0.000 0.248 493 I C 2.168 178.278 176.117 -0.012 0.000 1.115 493 I CA 1.663 63.012 61.300 0.080 0.000 1.392 493 I CB -1.564 36.485 38.000 0.081 0.000 1.065 493 I HN 0.127 nan 8.210 nan 0.000 0.418 494 G N 0.793 109.588 108.800 -0.009 0.000 2.807 494 G HA2 0.077 4.063 3.960 0.044 0.000 0.207 494 G HA3 0.077 4.063 3.960 0.044 0.000 0.207 494 G C 1.191 176.053 174.900 -0.063 0.000 1.151 494 G CA 0.381 45.469 45.100 -0.020 0.000 0.800 494 G HN 0.611 nan 8.290 nan 0.000 0.523 495 G N -0.563 108.160 108.800 -0.129 0.000 3.502 495 G HA2 0.398 4.385 3.960 0.044 0.000 0.267 495 G HA3 0.398 4.385 3.960 0.044 0.000 0.267 495 G C -0.015 174.788 174.900 -0.162 0.000 1.090 495 G CA -0.015 44.980 45.100 -0.175 0.000 0.795 495 G HN 0.207 nan 8.290 nan 0.000 0.535 496 T N 0.480 114.966 114.554 -0.114 0.000 3.170 496 T HA 0.257 4.633 4.350 0.044 0.000 0.315 496 T C -0.598 174.073 174.700 -0.049 0.000 0.967 496 T CA -0.415 61.633 62.100 -0.086 0.000 1.024 496 T CB 2.079 70.896 68.868 -0.085 0.000 1.018 496 T HN -0.097 nan 8.240 nan 0.000 0.449 497 V N 6.137 126.028 119.914 -0.039 0.000 2.387 497 V HA 0.264 4.411 4.120 0.044 0.000 0.260 497 V C -1.053 175.030 176.094 -0.018 0.000 1.054 497 V CA -0.808 61.477 62.300 -0.026 0.000 0.967 497 V CB -0.291 31.518 31.823 -0.023 0.000 1.036 497 V HN 0.735 nan 8.190 nan 0.000 0.481 498 P HA 0.229 nan 4.420 nan 0.000 0.323 498 P C 0.019 177.317 177.300 -0.004 0.000 1.363 498 P CA -0.581 62.516 63.100 -0.006 0.000 0.851 498 P CB 0.042 31.740 31.700 -0.003 0.000 2.110 499 D N 1.879 122.278 120.400 -0.002 0.000 5.758 499 D HA -0.082 4.584 4.640 0.044 0.000 0.222 499 D C -1.308 174.991 176.300 -0.002 0.000 1.450 499 D CA -0.118 53.882 54.000 -0.001 0.000 0.892 499 D CB -0.636 40.164 40.800 0.000 0.000 1.395 499 D HN 0.109 nan 8.370 nan 0.000 0.804 500 P HA -0.163 nan 4.420 nan 0.000 0.109 500 P C -0.125 177.172 177.300 -0.004 0.000 0.656 500 P CA 0.095 63.193 63.100 -0.003 0.000 1.148 500 P CB -0.256 31.442 31.700 -0.002 0.000 1.562 501 V N 2.211 122.122 119.914 -0.006 0.000 2.529 501 V HA 0.477 4.623 4.120 0.044 0.000 0.292 501 V C 1.194 177.284 176.094 -0.007 0.000 1.028 501 V CA 1.656 63.952 62.300 -0.006 0.000 1.074 501 V CB 0.549 32.368 31.823 -0.007 0.000 0.958 501 V HN 0.912 nan 8.190 nan 0.000 0.481 502 G N 0.000 108.796 108.800 -0.006 0.000 5.446 502 G HA2 0.000 3.986 3.960 0.044 0.000 0.244 502 G HA3 0.000 3.986 3.960 0.044 0.000 0.244 502 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925