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 2ay8_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF XXXXXXGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.303 176.300 0.005 0.000 1.140 5 M CA 0.000 55.303 55.300 0.004 0.000 0.988 5 M CB 0.000 32.603 32.600 0.005 0.000 1.302 6 L N 0.842 122.068 121.223 0.005 0.000 2.353 6 L HA -0.001 4.339 4.340 -0.000 0.000 0.220 6 L C 2.064 178.937 176.870 0.004 0.000 1.133 6 L CA 1.331 56.174 54.840 0.005 0.000 0.798 6 L CB -0.873 41.188 42.059 0.005 0.000 0.922 6 L HN 0.607 nan 8.230 nan 0.000 0.445 7 G N -0.120 108.682 108.800 0.003 0.000 2.509 7 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 7 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 7 G C 1.306 176.207 174.900 0.003 0.000 1.124 7 G CA 0.215 45.316 45.100 0.002 0.000 0.776 7 G HN 0.347 nan 8.290 nan 0.000 0.547 8 N N 0.310 119.012 118.700 0.004 0.000 2.459 8 N HA 0.036 4.776 4.740 -0.000 0.000 0.181 8 N C 0.924 176.437 175.510 0.006 0.000 1.046 8 N CA -0.040 53.013 53.050 0.005 0.000 0.904 8 N CB -0.094 38.396 38.487 0.006 0.000 0.964 8 N HN 0.281 nan 8.380 nan 0.000 0.444 9 L N 1.736 122.963 121.223 0.007 0.000 2.578 9 L HA -0.068 4.272 4.340 -0.000 0.000 0.279 9 L C 0.722 177.596 176.870 0.006 0.000 1.227 9 L CA 0.640 55.485 54.840 0.008 0.000 0.900 9 L CB 0.225 42.288 42.059 0.007 0.000 1.144 9 L HN -0.076 nan 8.230 nan 0.000 0.496 10 K N 4.802 125.207 120.400 0.008 0.000 2.118 10 K HA 0.418 4.738 4.320 -0.000 0.000 0.267 10 K C -2.078 174.523 176.600 0.002 0.000 0.991 10 K CA -1.680 54.610 56.287 0.006 0.000 0.916 10 K CB 0.656 33.161 32.500 0.009 0.000 1.041 10 K HN 0.413 nan 8.250 nan 0.000 0.455 11 P HA 0.040 nan 4.420 nan 0.000 0.271 11 P C -0.902 176.393 177.300 -0.009 0.000 1.216 11 P CA -0.186 62.909 63.100 -0.007 0.000 0.776 11 P CB 0.814 32.508 31.700 -0.009 0.000 0.881 12 Q N 0.649 120.439 119.800 -0.017 0.000 2.266 12 Q HA 0.534 4.874 4.340 -0.000 0.000 0.261 12 Q C -0.236 175.744 176.000 -0.033 0.000 0.985 12 Q CA -0.771 55.018 55.803 -0.024 0.000 0.873 12 Q CB 2.386 31.103 28.738 -0.035 0.000 1.306 12 Q HN 0.590 nan 8.270 nan 0.000 0.447 13 A N 3.520 126.318 122.820 -0.036 0.000 2.454 13 A HA 0.455 4.775 4.320 -0.000 0.000 0.260 13 A C -1.800 175.750 177.584 -0.058 0.000 1.106 13 A CA -0.787 51.224 52.037 -0.042 0.000 0.780 13 A CB -0.645 18.332 19.000 -0.040 0.000 1.044 13 A HN 0.424 nan 8.150 nan 0.000 0.498 14 P HA 0.121 nan 4.420 nan 0.000 0.272 14 P C -0.466 176.787 177.300 -0.080 0.000 1.230 14 P CA -0.398 62.664 63.100 -0.064 0.000 0.788 14 P CB 0.489 32.158 31.700 -0.052 0.000 0.949 15 D N 2.267 122.613 120.400 -0.090 0.000 2.383 15 D HA -0.038 4.602 4.640 -0.000 0.000 0.245 15 D C 0.895 177.137 176.300 -0.097 0.000 1.263 15 D CA -0.069 53.863 54.000 -0.113 0.000 0.936 15 D CB 0.452 41.181 40.800 -0.119 0.000 1.053 15 D HN 0.115 nan 8.370 nan 0.000 0.507 16 K N 3.320 123.661 120.400 -0.098 0.000 2.052 16 K HA -0.201 4.118 4.320 -0.000 0.000 0.215 16 K C 1.947 178.503 176.600 -0.074 0.000 1.053 16 K CA 1.168 57.407 56.287 -0.080 0.000 0.934 16 K CB -0.299 32.153 32.500 -0.080 0.000 0.717 16 K HN 0.604 nan 8.250 nan 0.000 0.450 17 I N 0.882 121.399 120.570 -0.088 0.000 2.208 17 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 17 I C 2.307 178.395 176.117 -0.048 0.000 1.097 17 I CA 1.161 62.422 61.300 -0.066 0.000 1.363 17 I CB -0.279 37.683 38.000 -0.064 0.000 1.051 17 I HN 0.084 nan 8.210 nan 0.000 0.413 18 L N 0.230 121.421 121.223 -0.053 0.000 2.179 18 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 18 L C 2.787 179.632 176.870 -0.043 0.000 1.096 18 L CA 0.808 55.623 54.840 -0.041 0.000 0.779 18 L CB -0.593 41.441 42.059 -0.041 0.000 0.922 18 L HN 0.189 nan 8.230 nan 0.000 0.443 19 A N 0.194 122.984 122.820 -0.050 0.000 1.969 19 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 19 A C 2.261 179.813 177.584 -0.053 0.000 1.169 19 A CA 0.926 52.934 52.037 -0.048 0.000 0.635 19 A CB -0.536 18.434 19.000 -0.051 0.000 0.810 19 A HN 0.322 nan 8.150 nan 0.000 0.445 20 L N 0.678 121.869 121.223 -0.054 0.000 1.997 20 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 20 L C 2.551 179.378 176.870 -0.071 0.000 1.074 20 L CA 3.103 57.907 54.840 -0.061 0.000 0.763 20 L CB -0.885 41.150 42.059 -0.041 0.000 0.890 20 L HN 0.734 nan 8.230 nan 0.000 0.434 21 M N -1.803 117.765 119.600 -0.053 0.000 2.358 21 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 21 M C 1.931 178.244 176.300 0.021 0.000 1.064 21 M CA 1.745 57.026 55.300 -0.031 0.000 1.093 21 M CB -1.417 31.159 32.600 -0.040 0.000 1.401 21 M HN 0.168 nan 8.290 nan 0.000 0.440 22 G N 1.393 110.183 108.800 -0.017 0.000 2.440 22 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 22 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 22 G C 0.407 175.290 174.900 -0.028 0.000 1.154 22 G CA 0.698 45.788 45.100 -0.017 0.000 0.767 22 G HN 0.598 nan 8.290 nan 0.000 0.552 23 E N -0.200 119.946 120.200 -0.090 0.000 2.392 23 E HA 0.521 4.871 4.350 -0.000 0.000 0.307 23 E C -0.811 175.702 176.600 -0.144 0.000 1.505 23 E CA -0.333 55.956 56.400 -0.185 0.000 1.716 23 E CB -0.209 29.278 29.700 -0.354 0.000 1.450 23 E HN 0.381 nan 8.360 nan 0.000 0.484 32 K N 0.893 121.298 120.400 0.008 0.000 2.312 32 K HA 0.534 4.854 4.320 -0.000 0.000 0.287 32 K C -0.824 175.957 176.600 0.302 0.000 1.062 32 K CA 0.143 56.484 56.287 0.090 0.000 0.934 32 K CB 1.322 33.675 32.500 -0.244 0.000 1.027 32 K HN 0.246 nan 8.250 nan 0.000 0.478 33 I N 2.742 123.494 120.570 0.302 0.000 2.390 33 I HA 0.059 4.229 4.170 -0.000 0.000 0.283 33 I C -0.507 175.718 176.117 0.181 0.000 1.016 33 I CA -0.808 60.620 61.300 0.213 0.000 1.151 33 I CB 1.407 39.444 38.000 0.060 0.000 1.293 33 I HN 0.516 nan 8.210 nan 0.000 0.458 34 D N 6.918 127.312 120.400 -0.010 0.000 2.339 34 D HA 0.306 4.946 4.640 -0.000 0.000 0.241 34 D C -0.222 175.982 176.300 -0.159 0.000 1.183 34 D CA -0.060 53.733 54.000 -0.346 0.000 0.859 34 D CB 1.118 41.293 40.800 -1.041 0.000 1.067 34 D HN 0.268 nan 8.370 nan 0.000 0.484 35 L N 3.926 125.112 121.223 -0.062 0.000 3.218 35 L HA 0.448 4.788 4.340 -0.000 0.000 0.279 35 L C 1.163 178.050 176.870 0.028 0.000 1.287 35 L CA -0.120 54.715 54.840 -0.009 0.000 1.024 35 L CB 0.944 43.013 42.059 0.017 0.000 1.409 35 L HN 0.591 nan 8.230 nan 0.000 0.580 36 G N -1.361 107.429 108.800 -0.016 0.000 2.593 36 G HA2 0.094 4.054 3.960 -0.000 0.000 0.212 36 G HA3 0.094 4.054 3.960 -0.000 0.000 0.212 36 G C 0.122 175.059 174.900 0.061 0.000 1.934 36 G CA 0.001 45.107 45.100 0.011 0.000 0.861 36 G HN -0.080 nan 8.290 nan 0.000 0.629 37 V N 2.273 122.197 119.914 0.016 0.000 2.625 37 V HA 0.347 4.467 4.120 -0.000 0.000 0.305 37 V C 1.328 177.523 176.094 0.169 0.000 1.055 37 V CA 0.596 62.935 62.300 0.064 0.000 1.209 37 V CB 0.602 32.422 31.823 -0.005 0.000 0.877 37 V HN 0.599 nan 8.190 nan 0.000 0.489 38 G N 6.595 115.603 108.800 0.347 0.000 2.924 38 G HA2 0.400 4.360 3.960 -0.000 0.000 0.273 38 G HA3 0.400 4.360 3.960 -0.000 0.000 0.273 38 G C -0.416 174.644 174.900 0.266 0.000 0.734 38 G CA -0.077 45.360 45.100 0.561 0.000 2.065 38 G HN 0.713 nan 8.290 nan 0.000 0.580 39 V N 1.417 121.379 119.914 0.079 0.000 2.823 39 V HA 0.363 4.483 4.120 -0.000 0.000 0.312 39 V C -0.605 175.520 176.094 0.053 0.000 1.072 39 V CA -1.333 60.949 62.300 -0.030 0.000 0.937 39 V CB 1.963 33.575 31.823 -0.352 0.000 1.013 39 V HN 0.520 nan 8.190 nan 0.000 0.430 40 Y N 3.737 124.107 120.300 0.116 0.000 2.336 40 Y HA 0.526 5.076 4.550 -0.000 0.000 0.331 40 Y C 0.060 176.019 175.900 0.098 0.000 1.211 40 Y CA -0.135 58.041 58.100 0.128 0.000 1.346 40 Y CB 0.659 39.285 38.460 0.277 0.000 1.271 40 Y HN 0.552 nan 8.280 nan 0.000 0.538 41 K N 4.464 124.214 120.400 -1.083 0.000 2.498 41 K HA 0.225 4.545 4.320 -0.000 0.000 0.254 41 K C -1.374 174.673 176.600 -0.921 0.000 0.933 41 K CA -1.030 54.806 56.287 -0.751 0.000 0.806 41 K CB 1.763 34.049 32.500 -0.356 0.000 1.301 41 K HN 0.758 nan 8.250 nan 0.000 0.432 42 D N 0.538 120.674 120.400 -0.439 0.000 2.433 42 D HA 0.184 4.824 4.640 -0.000 0.000 0.255 42 D C 1.034 177.277 176.300 -0.094 0.000 1.226 42 D CA -0.489 53.421 54.000 -0.149 0.000 1.015 42 D CB 0.466 41.306 40.800 0.065 0.000 1.091 42 D HN 0.436 nan 8.370 nan 0.000 0.527 43 A N -0.473 122.342 122.820 -0.009 0.000 2.093 43 A HA -0.152 4.168 4.320 -0.000 0.000 0.222 43 A C 1.699 179.261 177.584 -0.037 0.000 1.162 43 A CA 2.281 54.311 52.037 -0.011 0.000 0.655 43 A CB -1.284 17.729 19.000 0.022 0.000 0.805 43 A HN 0.731 nan 8.150 nan 0.000 0.461 44 T N -4.373 110.155 114.554 -0.044 0.000 3.223 44 T HA 0.449 4.799 4.350 -0.000 0.000 0.259 44 T C 1.089 175.536 174.700 -0.421 0.000 1.015 44 T CA 0.754 62.787 62.100 -0.112 0.000 0.908 44 T CB -0.134 68.778 68.868 0.075 0.000 1.054 44 T HN 1.672 nan 8.240 nan 0.000 0.567 45 G N 1.477 110.092 108.800 -0.308 0.000 2.249 45 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.273 45 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.273 45 G C -0.277 174.369 174.900 -0.423 0.000 1.036 45 G CA 0.222 45.120 45.100 -0.337 0.000 0.824 45 G HN 0.807 nan 8.290 nan 0.000 0.504 46 H N -1.047 117.991 119.070 -0.053 0.000 2.621 46 H HA 0.647 5.202 4.556 -0.000 0.000 0.360 46 H C -0.167 175.132 175.328 -0.049 0.000 1.163 46 H CA -0.404 55.627 56.048 -0.029 0.000 1.194 46 H CB 1.715 31.480 29.762 0.006 0.000 1.649 46 H HN 0.081 nan 8.280 nan 0.000 0.532 47 T N 5.061 119.691 114.554 0.127 0.000 3.029 47 T HA 0.198 4.548 4.350 -0.000 0.000 0.346 47 T C -2.034 172.785 174.700 0.198 0.000 1.211 47 T CA -1.262 60.913 62.100 0.126 0.000 1.009 47 T CB 0.186 69.097 68.868 0.073 0.000 1.084 47 T HN 0.457 nan 8.240 nan 0.000 0.536 48 P HA 0.407 nan 4.420 nan 0.000 0.274 48 P C -0.446 176.987 177.300 0.222 0.000 1.256 48 P CA -0.623 62.593 63.100 0.192 0.000 0.795 48 P CB 1.182 32.991 31.700 0.181 0.000 1.038 49 I N 0.616 121.292 120.570 0.177 0.000 2.353 49 I HA 0.232 4.402 4.170 -0.000 0.000 0.293 49 I C 1.034 177.257 176.117 0.177 0.000 0.992 49 I CA -0.820 60.595 61.300 0.191 0.000 1.268 49 I CB 0.851 38.963 38.000 0.188 0.000 1.387 49 I HN 0.170 nan 8.210 nan 0.000 0.478 50 M N 5.239 124.954 119.600 0.192 0.000 2.238 50 M HA 0.206 4.686 4.480 -0.000 0.000 0.347 50 M C 1.372 177.776 176.300 0.173 0.000 1.173 50 M CA 0.095 55.503 55.300 0.180 0.000 1.147 50 M CB 0.640 33.368 32.600 0.214 0.000 1.547 50 M HN 0.546 nan 8.290 nan 0.000 0.455 51 R N 1.778 122.361 120.500 0.140 0.000 2.112 51 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 51 R C 2.133 178.528 176.300 0.158 0.000 1.137 51 R CA 2.098 58.277 56.100 0.131 0.000 0.944 51 R CB -0.784 29.571 30.300 0.091 0.000 0.857 51 R HN 0.903 nan 8.270 nan 0.000 0.435 52 A N 0.665 123.579 122.820 0.157 0.000 1.908 52 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 52 A C 2.432 180.085 177.584 0.114 0.000 1.181 52 A CA 1.602 53.724 52.037 0.142 0.000 0.627 52 A CB -0.571 18.541 19.000 0.186 0.000 0.818 52 A HN 0.150 nan 8.150 nan 0.000 0.445 53 V N -0.355 119.640 119.914 0.135 0.000 2.295 53 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 53 V C 2.540 178.680 176.094 0.077 0.000 1.049 53 V CA 2.206 64.561 62.300 0.091 0.000 1.024 53 V CB -0.967 30.932 31.823 0.127 0.000 0.648 53 V HN 0.785 nan 8.190 nan 0.000 0.447 54 H N 0.389 119.494 119.070 0.057 0.000 2.353 54 H HA -0.140 4.416 4.556 -0.000 0.000 0.300 54 H C 2.255 177.606 175.328 0.039 0.000 1.090 54 H CA 1.893 57.972 56.048 0.052 0.000 1.327 54 H CB 0.088 29.885 29.762 0.058 0.000 1.383 54 H HN 0.404 nan 8.280 nan 0.000 0.508 55 A N 0.989 123.877 122.820 0.113 0.000 1.933 55 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 55 A C 2.708 180.284 177.584 -0.014 0.000 1.175 55 A CA 1.578 53.651 52.037 0.061 0.000 0.628 55 A CB -0.914 18.138 19.000 0.087 0.000 0.814 55 A HN 0.552 nan 8.150 nan 0.000 0.444 56 A N -0.123 122.682 122.820 -0.026 0.000 1.877 56 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 56 A C 1.925 179.453 177.584 -0.094 0.000 1.186 56 A CA 1.661 53.659 52.037 -0.064 0.000 0.620 56 A CB -0.564 18.380 19.000 -0.093 0.000 0.822 56 A HN 0.623 nan 8.150 nan 0.000 0.443 57 E N -0.362 119.766 120.200 -0.120 0.000 2.110 57 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 57 E C 2.321 178.870 176.600 -0.084 0.000 0.988 57 E CA 1.449 57.790 56.400 -0.099 0.000 0.804 57 E CB -0.199 29.442 29.700 -0.097 0.000 0.745 57 E HN 0.747 nan 8.360 nan 0.000 0.458 58 Q N 0.240 119.961 119.800 -0.132 0.000 2.079 58 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 58 Q C 2.221 178.202 176.000 -0.032 0.000 0.974 58 Q CA 1.014 56.768 55.803 -0.082 0.000 0.840 58 Q CB -0.131 28.565 28.738 -0.070 0.000 0.898 58 Q HN 0.194 nan 8.270 nan 0.000 0.430 59 R N 0.292 120.775 120.500 -0.029 0.000 2.081 59 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 59 R C 2.284 178.580 176.300 -0.007 0.000 1.131 59 R CA 1.387 57.479 56.100 -0.013 0.000 0.960 59 R CB -0.245 30.046 30.300 -0.014 0.000 0.856 59 R HN 0.276 nan 8.270 nan 0.000 0.436 60 M N 0.489 120.081 119.600 -0.014 0.000 2.159 60 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 60 M C 2.281 178.602 176.300 0.035 0.000 1.063 60 M CA 1.464 56.772 55.300 0.014 0.000 1.110 60 M CB -0.220 32.383 32.600 0.006 0.000 1.374 60 M HN 0.193 nan 8.290 nan 0.000 0.411 61 L N -0.073 121.163 121.223 0.021 0.000 2.131 61 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 61 L C 2.025 178.900 176.870 0.010 0.000 1.092 61 L CA 1.430 56.280 54.840 0.018 0.000 0.759 61 L CB -0.183 41.877 42.059 0.003 0.000 0.903 61 L HN 0.375 nan 8.230 nan 0.000 0.435 62 E N -1.567 118.637 120.200 0.007 0.000 2.276 62 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 62 E C 1.917 178.521 176.600 0.006 0.000 0.983 62 E CA 1.301 57.704 56.400 0.005 0.000 0.861 62 E CB 0.196 29.898 29.700 0.004 0.000 0.817 62 E HN 0.548 nan 8.360 nan 0.000 0.485 63 T N -1.064 113.496 114.554 0.011 0.000 3.044 63 T HA 0.035 4.385 4.350 -0.000 0.000 0.255 63 T C 1.018 175.727 174.700 0.015 0.000 1.073 63 T CA 0.000 62.108 62.100 0.013 0.000 1.125 63 T CB 0.197 69.076 68.868 0.017 0.000 0.908 63 T HN -0.161 nan 8.240 nan 0.000 0.480 67 T N 0.328 114.823 114.554 -0.097 0.000 2.812 67 T HA 0.676 5.026 4.350 -0.000 0.000 0.294 67 T C -1.463 173.119 174.700 -0.198 0.000 1.159 67 T CA -0.596 61.424 62.100 -0.134 0.000 1.008 67 T CB 2.172 70.960 68.868 -0.134 0.000 1.289 67 T HN 0.144 nan 8.240 nan 0.000 0.514 68 K N 1.517 121.777 120.400 -0.233 0.000 2.734 68 K HA 0.227 4.547 4.320 -0.000 0.000 0.200 68 K C 0.002 176.384 176.600 -0.364 0.000 1.120 68 K CA -0.299 55.801 56.287 -0.311 0.000 1.067 68 K CB 0.737 33.091 32.500 -0.242 0.000 0.771 68 K HN 0.751 nan 8.250 nan 0.000 0.481 69 T N 0.037 114.392 114.554 -0.333 0.000 2.734 69 T HA 0.028 4.378 4.350 -0.000 0.000 0.314 69 T C 0.430 174.878 174.700 -0.421 0.000 1.057 69 T CA -0.042 61.835 62.100 -0.372 0.000 1.047 69 T CB 0.303 69.031 68.868 -0.232 0.000 0.991 69 T HN -0.039 nan 8.240 nan 0.000 0.540 70 Y N 0.553 120.633 120.300 -0.368 0.000 2.683 70 Y HA 0.388 4.938 4.550 -0.000 0.000 0.340 70 Y C 0.909 176.510 175.900 -0.498 0.000 1.245 70 Y CA 0.066 57.772 58.100 -0.657 0.000 1.485 70 Y CB -0.214 37.776 38.460 -0.783 0.000 1.328 70 Y HN 0.942 nan 8.280 nan 0.000 0.603 71 A N 1.763 124.373 122.820 -0.350 0.000 3.969 71 A HA 0.777 5.097 4.320 -0.000 0.000 0.168 71 A C 0.414 178.066 177.584 0.112 0.000 0.806 71 A CA -0.275 51.706 52.037 -0.093 0.000 0.871 71 A CB -0.437 18.523 19.000 -0.066 0.000 1.498 71 A HN 0.830 nan 8.150 nan 0.000 0.779 72 G N -0.777 108.139 108.800 0.194 0.000 2.398 72 G HA2 0.406 4.366 3.960 -0.000 0.000 0.246 72 G HA3 0.406 4.366 3.960 -0.000 0.000 0.246 72 G C 0.423 175.557 174.900 0.390 0.000 1.289 72 G CA 0.018 45.276 45.100 0.264 0.000 0.869 72 G HN 0.777 nan 8.290 nan 0.000 0.543 73 L N 1.944 123.353 121.223 0.310 0.000 2.217 73 L HA 0.091 4.431 4.340 -0.000 0.000 0.211 73 L C 2.244 179.191 176.870 0.128 0.000 1.107 73 L CA 1.667 56.596 54.840 0.148 0.000 0.783 73 L CB 0.195 42.216 42.059 -0.063 0.000 0.919 73 L HN 0.419 nan 8.230 nan 0.000 0.442 74 S N -0.128 115.658 115.700 0.143 0.000 2.554 74 S HA 0.623 5.093 4.470 -0.000 0.000 0.226 74 S C 0.503 175.207 174.600 0.173 0.000 0.980 74 S CA 0.209 58.490 58.200 0.135 0.000 0.939 74 S CB -0.045 63.218 63.200 0.105 0.000 0.832 74 S HN 0.730 nan 8.310 nan 0.000 0.486 75 G N 1.683 110.600 108.800 0.194 0.000 2.603 75 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.686 75 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.686 75 G C -1.457 173.561 174.900 0.196 0.000 1.286 75 G CA -1.079 44.140 45.100 0.197 0.000 0.871 75 G HN 0.102 nan 8.290 nan 0.000 0.568 76 E N 0.777 121.093 120.200 0.194 0.000 2.283 76 E HA 0.356 4.706 4.350 -0.000 0.000 0.278 76 E C -1.467 175.230 176.600 0.161 0.000 1.027 76 E CA -1.786 54.719 56.400 0.175 0.000 0.843 76 E CB 1.181 30.981 29.700 0.168 0.000 1.062 76 E HN 0.143 nan 8.360 nan 0.000 0.401 77 P HA -0.222 nan 4.420 nan 0.000 0.216 77 P C 0.659 177.996 177.300 0.061 0.000 1.154 77 P CA 1.593 64.739 63.100 0.078 0.000 0.865 77 P CB 0.384 32.121 31.700 0.061 0.000 0.789 78 E N -1.450 118.791 120.200 0.068 0.000 2.058 78 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 78 E C 1.823 178.448 176.600 0.042 0.000 0.997 78 E CA 1.057 57.482 56.400 0.042 0.000 0.801 78 E CB -1.329 28.393 29.700 0.037 0.000 0.746 78 E HN 0.249 nan 8.360 nan 0.000 0.450 79 F N 1.772 121.677 119.950 -0.076 0.000 2.075 79 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 79 F C 2.080 177.836 175.800 -0.074 0.000 1.113 79 F CA 1.761 59.694 58.000 -0.112 0.000 1.218 79 F CB -0.363 38.558 39.000 -0.133 0.000 0.984 79 F HN -0.054 nan 8.300 nan 0.000 0.472 80 Q N 0.062 119.814 119.800 -0.080 0.000 2.096 80 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 80 Q C 2.228 178.123 176.000 -0.174 0.000 0.982 80 Q CA 2.176 57.885 55.803 -0.157 0.000 0.850 80 Q CB -0.334 28.407 28.738 0.005 0.000 0.901 80 Q HN 0.440 nan 8.270 nan 0.000 0.422 81 K N 0.532 120.869 120.400 -0.106 0.000 2.031 81 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 81 K C 2.066 178.597 176.600 -0.114 0.000 1.049 81 K CA 1.070 57.307 56.287 -0.083 0.000 0.939 81 K CB -0.189 32.287 32.500 -0.040 0.000 0.717 81 K HN 0.159 nan 8.250 nan 0.000 0.438 82 A N 0.961 123.695 122.820 -0.143 0.000 1.908 82 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 82 A C 2.131 179.603 177.584 -0.187 0.000 1.181 82 A CA 1.652 53.604 52.037 -0.141 0.000 0.627 82 A CB -0.478 18.436 19.000 -0.142 0.000 0.818 82 A HN 0.310 nan 8.150 nan 0.000 0.445 83 M N -0.628 118.766 119.600 -0.344 0.000 2.132 83 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 83 M C 2.359 178.550 176.300 -0.181 0.000 1.065 83 M CA 1.492 56.588 55.300 -0.340 0.000 1.122 83 M CB -1.950 30.276 32.600 -0.623 0.000 1.365 83 M HN 0.467 nan 8.290 nan 0.000 0.411 84 G N -0.050 108.653 108.800 -0.162 0.000 2.418 84 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 84 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 84 G C 1.531 176.395 174.900 -0.060 0.000 1.158 84 G CA 0.719 45.764 45.100 -0.092 0.000 0.771 84 G HN 0.524 nan 8.290 nan 0.000 0.545 85 E N -0.338 119.827 120.200 -0.058 0.000 2.072 85 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 85 E C 2.396 178.988 176.600 -0.013 0.000 0.985 85 E CA 0.690 57.071 56.400 -0.031 0.000 0.801 85 E CB -0.180 29.505 29.700 -0.025 0.000 0.750 85 E HN 0.339 nan 8.360 nan 0.000 0.452 86 L N 1.241 122.458 121.223 -0.010 0.000 2.042 86 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 86 L C 1.972 178.858 176.870 0.026 0.000 1.076 86 L CA 1.671 56.532 54.840 0.036 0.000 0.749 86 L CB -0.224 41.873 42.059 0.064 0.000 0.893 86 L HN 0.096 nan 8.230 nan 0.000 0.432 87 I N -1.348 119.220 120.570 -0.002 0.000 2.235 87 I HA -0.231 3.939 4.170 -0.000 0.000 0.241 87 I C 2.011 178.116 176.117 -0.020 0.000 1.085 87 I CA 1.218 62.515 61.300 -0.006 0.000 1.378 87 I CB -0.187 37.803 38.000 -0.016 0.000 1.076 87 I HN 0.173 nan 8.210 nan 0.000 0.415 88 L N -0.064 121.143 121.223 -0.025 0.000 2.554 88 L HA 0.304 4.644 4.340 -0.000 0.000 0.225 88 L C 1.497 178.352 176.870 -0.025 0.000 1.104 88 L CA 0.274 55.097 54.840 -0.029 0.000 0.866 88 L CB -0.481 41.561 42.059 -0.028 0.000 1.047 88 L HN 0.462 nan 8.230 nan 0.000 0.468 89 G N 1.254 110.043 108.800 -0.018 0.000 2.611 89 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.301 89 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.301 89 G C 0.264 175.156 174.900 -0.015 0.000 1.233 89 G CA 0.711 45.802 45.100 -0.014 0.000 0.993 89 G HN 0.333 nan 8.290 nan 0.000 0.553 90 D N 1.673 122.064 120.400 -0.014 0.000 2.371 90 D HA 0.364 5.004 4.640 -0.000 0.000 0.221 90 D C 1.577 177.869 176.300 -0.013 0.000 0.986 90 D CA 1.275 55.268 54.000 -0.012 0.000 0.899 90 D CB -0.197 40.597 40.800 -0.010 0.000 0.902 90 D HN 0.673 nan 8.370 nan 0.000 0.530 96 K N 2.979 123.374 120.400 -0.009 0.000 2.229 96 K HA 0.354 4.674 4.320 -0.000 0.000 0.247 96 K C 1.150 177.747 176.600 -0.004 0.000 1.117 96 K CA -0.105 56.179 56.287 -0.005 0.000 1.036 96 K CB 0.700 33.199 32.500 -0.003 0.000 1.654 96 K HN 0.590 nan 8.250 nan 0.000 0.405 97 S N 1.428 117.125 115.700 -0.005 0.000 2.423 97 S HA -0.246 4.224 4.470 -0.000 0.000 0.238 97 S C 1.767 176.367 174.600 0.001 0.000 1.028 97 S CA 1.357 59.555 58.200 -0.003 0.000 1.000 97 S CB -0.104 63.094 63.200 -0.004 0.000 0.797 97 S HN 0.666 nan 8.310 nan 0.000 0.487 98 E N 0.742 120.943 120.200 0.001 0.000 2.204 98 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 98 E C 1.309 177.911 176.600 0.004 0.000 0.990 98 E CA 1.473 57.875 56.400 0.003 0.000 0.821 98 E CB 0.045 29.746 29.700 0.002 0.000 0.750 98 E HN 0.693 nan 8.360 nan 0.000 0.477 99 T N -2.520 112.036 114.554 0.003 0.000 3.200 99 T HA 0.213 4.563 4.350 -0.000 0.000 0.284 99 T C 0.005 174.708 174.700 0.006 0.000 1.009 99 T CA -0.546 61.557 62.100 0.005 0.000 0.907 99 T CB 0.817 69.688 68.868 0.004 0.000 1.120 99 T HN -0.184 nan 8.240 nan 0.000 0.534 100 T N 2.514 117.071 114.554 0.004 0.000 2.797 100 T HA 0.760 5.110 4.350 -0.000 0.000 0.279 100 T C -0.354 174.351 174.700 0.008 0.000 0.991 100 T CA -0.556 61.546 62.100 0.004 0.000 0.979 100 T CB 1.524 70.390 68.868 -0.003 0.000 0.943 100 T HN 0.493 nan 8.240 nan 0.000 0.444 101 A N 2.880 125.709 122.820 0.014 0.000 2.324 101 A HA 0.813 5.133 4.320 -0.000 0.000 0.330 101 A C 0.055 177.653 177.584 0.023 0.000 1.165 101 A CA -0.658 51.392 52.037 0.021 0.000 0.813 101 A CB 0.812 19.828 19.000 0.026 0.000 1.197 101 A HN 0.734 nan 8.150 nan 0.000 0.484 102 T N 2.419 116.991 114.554 0.031 0.000 2.893 102 T HA 0.664 5.014 4.350 -0.000 0.000 0.291 102 T C -1.033 173.708 174.700 0.068 0.000 1.028 102 T CA -0.502 61.619 62.100 0.035 0.000 0.995 102 T CB 1.370 70.246 68.868 0.012 0.000 1.051 102 T HN 0.571 nan 8.240 nan 0.000 0.470 103 L N 2.156 123.433 121.223 0.090 0.000 2.528 103 L HA 0.655 4.995 4.340 -0.000 0.000 0.267 103 L C -0.519 176.456 176.870 0.175 0.000 0.961 103 L CA -0.763 54.151 54.840 0.123 0.000 0.866 103 L CB 1.301 43.421 42.059 0.102 0.000 1.248 103 L HN 0.915 nan 8.230 nan 0.000 0.404 104 A N 3.288 126.241 122.820 0.222 0.000 2.425 104 A HA 0.641 4.961 4.320 -0.000 0.000 0.249 104 A C 0.338 178.035 177.584 0.187 0.000 1.084 104 A CA 0.291 52.484 52.037 0.261 0.000 0.781 104 A CB 0.399 19.507 19.000 0.181 0.000 1.019 104 A HN 0.778 nan 8.150 nan 0.000 0.490 105 T N -1.974 112.672 114.554 0.152 0.000 2.804 105 T HA 0.529 4.879 4.350 -0.000 0.000 0.290 105 T C -0.555 174.163 174.700 0.029 0.000 1.099 105 T CA -0.620 61.566 62.100 0.142 0.000 1.011 105 T CB 0.916 69.882 68.868 0.162 0.000 1.291 105 T HN 0.627 nan 8.240 nan 0.000 0.523 106 V N 2.099 122.011 119.914 -0.004 0.000 2.223 106 V HA 0.579 4.699 4.120 -0.000 0.000 0.249 106 V C 1.365 177.461 176.094 0.004 0.000 1.233 106 V CA 0.586 62.838 62.300 -0.080 0.000 1.131 106 V CB -1.099 30.612 31.823 -0.186 0.000 1.298 106 V HN 1.514 nan 8.190 nan 0.000 0.498 107 G N 3.820 112.626 108.800 0.009 0.000 2.828 107 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.463 107 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.463 107 G C 0.795 175.733 174.900 0.063 0.000 1.394 107 G CA -0.196 44.925 45.100 0.034 0.000 0.862 107 G HN 0.957 nan 8.290 nan 0.000 0.540 108 G N -1.560 107.272 108.800 0.053 0.000 2.422 108 G HA2 0.096 4.056 3.960 -0.000 0.000 0.218 108 G HA3 0.096 4.056 3.960 -0.000 0.000 0.218 108 G C 1.834 176.799 174.900 0.107 0.000 1.140 108 G CA 2.323 47.455 45.100 0.054 0.000 0.775 108 G HN 1.203 nan 8.290 nan 0.000 0.545 109 T N 0.994 115.637 114.554 0.148 0.000 2.746 109 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 109 T C 2.514 177.316 174.700 0.170 0.000 1.039 109 T CA 1.408 63.640 62.100 0.220 0.000 1.142 109 T CB -0.521 68.490 68.868 0.239 0.000 0.866 109 T HN 0.339 nan 8.240 nan 0.000 0.444 110 G N 1.200 110.083 108.800 0.138 0.000 2.440 110 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.218 110 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.218 110 G C 1.850 176.841 174.900 0.153 0.000 1.154 110 G CA 0.930 46.120 45.100 0.150 0.000 0.767 110 G HN 0.579 nan 8.290 nan 0.000 0.552 111 A N 0.470 123.371 122.820 0.135 0.000 1.940 111 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 111 A C 2.454 180.112 177.584 0.124 0.000 1.176 111 A CA 1.378 53.489 52.037 0.124 0.000 0.631 111 A CB -0.404 18.660 19.000 0.106 0.000 0.814 111 A HN 0.372 nan 8.150 nan 0.000 0.446 112 L N -1.304 120.006 121.223 0.144 0.000 1.994 112 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 112 L C 2.785 179.742 176.870 0.146 0.000 1.071 112 L CA 1.823 56.759 54.840 0.160 0.000 0.745 112 L CB -0.417 41.784 42.059 0.237 0.000 0.892 112 L HN 0.410 nan 8.230 nan 0.000 0.431 113 R N 0.022 120.613 120.500 0.152 0.000 2.083 113 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 113 R C 2.287 178.655 176.300 0.113 0.000 1.137 113 R CA 1.582 57.765 56.100 0.139 0.000 0.951 113 R CB -0.452 29.937 30.300 0.147 0.000 0.851 113 R HN 0.295 nan 8.270 nan 0.000 0.434 114 Q N -0.126 119.739 119.800 0.109 0.000 2.170 114 Q HA -0.043 4.297 4.340 -0.000 0.000 0.203 114 Q C 2.049 178.096 176.000 0.079 0.000 0.976 114 Q CA 1.626 57.480 55.803 0.085 0.000 0.858 114 Q CB -0.430 28.362 28.738 0.089 0.000 0.907 114 Q HN 0.489 nan 8.270 nan 0.000 0.433 115 A N 0.854 123.726 122.820 0.087 0.000 1.902 115 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 115 A C 2.240 179.867 177.584 0.070 0.000 1.181 115 A CA 1.055 53.138 52.037 0.076 0.000 0.623 115 A CB -0.646 18.401 19.000 0.080 0.000 0.818 115 A HN 0.312 nan 8.150 nan 0.000 0.443 116 L N -0.718 120.551 121.223 0.077 0.000 2.093 116 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 116 L C 2.628 179.533 176.870 0.057 0.000 1.085 116 L CA 1.051 55.932 54.840 0.068 0.000 0.755 116 L CB -0.530 41.576 42.059 0.078 0.000 0.904 116 L HN 0.359 nan 8.230 nan 0.000 0.435 117 E N 0.162 120.398 120.200 0.060 0.000 2.047 117 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 117 E C 2.161 178.793 176.600 0.053 0.000 0.987 117 E CA 1.082 57.513 56.400 0.051 0.000 0.799 117 E CB -0.291 29.439 29.700 0.050 0.000 0.752 117 E HN 0.276 nan 8.360 nan 0.000 0.449 118 L N 1.170 122.427 121.223 0.057 0.000 1.994 118 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 118 L C 2.303 179.199 176.870 0.043 0.000 1.071 118 L CA 2.213 57.085 54.840 0.054 0.000 0.745 118 L CB -0.769 41.323 42.059 0.055 0.000 0.892 118 L HN 0.048 nan 8.230 nan 0.000 0.431 119 A N -0.577 122.270 122.820 0.045 0.000 1.940 119 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 119 A C 2.539 180.143 177.584 0.035 0.000 1.176 119 A CA 1.933 53.994 52.037 0.041 0.000 0.631 119 A CB -0.697 18.332 19.000 0.048 0.000 0.814 119 A HN 0.522 nan 8.150 nan 0.000 0.446 120 R N -1.022 119.498 120.500 0.034 0.000 2.148 120 R HA 0.007 4.347 4.340 -0.000 0.000 0.227 120 R C 2.045 178.357 176.300 0.019 0.000 1.103 120 R CA 1.345 57.460 56.100 0.024 0.000 0.983 120 R CB -0.252 30.060 30.300 0.019 0.000 0.874 120 R HN 0.563 nan 8.270 nan 0.000 0.451 121 M N -0.575 119.039 119.600 0.024 0.000 2.200 121 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 121 M C 2.338 178.642 176.300 0.006 0.000 1.066 121 M CA 1.578 56.888 55.300 0.016 0.000 1.127 121 M CB -0.087 32.526 32.600 0.022 0.000 1.379 121 M HN 0.270 nan 8.290 nan 0.000 0.420 122 A N 0.063 122.890 122.820 0.012 0.000 1.929 122 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 122 A C 0.946 178.536 177.584 0.010 0.000 1.176 122 A CA 1.261 53.303 52.037 0.009 0.000 0.628 122 A CB -0.227 18.782 19.000 0.015 0.000 0.816 122 A HN 0.479 nan 8.150 nan 0.000 0.444 123 N N -1.332 117.377 118.700 0.016 0.000 2.609 123 N HA 0.354 5.094 4.740 -0.000 0.000 0.268 123 N C -2.791 172.728 175.510 0.015 0.000 1.106 123 N CA -1.887 51.173 53.050 0.017 0.000 0.823 123 N CB 1.534 40.036 38.487 0.025 0.000 1.263 123 N HN -0.192 nan 8.380 nan 0.000 0.533 124 P HA 0.041 nan 4.420 nan 0.000 0.226 124 P C -0.444 176.859 177.300 0.006 0.000 1.153 124 P CA 0.972 64.075 63.100 0.005 0.000 0.777 124 P CB 0.312 32.012 31.700 0.000 0.000 0.794 125 D N -0.142 120.265 120.400 0.011 0.000 2.722 125 D HA 0.073 4.713 4.640 -0.000 0.000 0.239 125 D C 0.591 176.905 176.300 0.023 0.000 1.249 125 D CA -0.034 53.974 54.000 0.013 0.000 0.830 125 D CB 0.208 41.016 40.800 0.014 0.000 1.025 125 D HN 0.113 nan 8.370 nan 0.000 0.486 134 F N 4.012 124.026 119.950 0.106 0.000 2.415 134 F HA 0.788 5.315 4.527 -0.000 0.000 0.348 134 F C 0.338 176.263 175.800 0.208 0.000 1.119 134 F CA -0.542 57.567 58.000 0.181 0.000 1.069 134 F CB 1.970 41.122 39.000 0.252 0.000 1.124 134 F HN 0.458 nan 8.300 nan 0.000 0.472 135 V N 0.107 120.149 119.914 0.215 0.000 3.001 135 V HA 0.770 4.890 4.120 -0.000 0.000 0.314 135 V C -0.250 175.572 176.094 -0.453 0.000 1.099 135 V CA -1.135 61.174 62.300 0.015 0.000 0.989 135 V CB 1.448 33.277 31.823 0.010 0.000 1.040 135 V HN 0.719 nan 8.190 nan 0.000 0.434 136 S N 0.742 116.071 115.700 -0.618 0.000 2.580 136 S HA 0.399 4.869 4.470 -0.000 0.000 0.274 136 S C -0.353 174.072 174.600 -0.291 0.000 1.329 136 S CA -0.133 57.540 58.200 -0.878 0.000 1.036 136 S CB 0.923 63.804 63.200 -0.531 0.000 0.919 136 S HN 1.115 nan 8.310 nan 0.000 0.515 137 D N 2.896 123.190 120.400 -0.177 0.000 2.443 137 D HA 0.481 5.121 4.640 -0.000 0.000 0.221 137 D C -2.107 174.265 176.300 0.119 0.000 1.097 137 D CA -1.823 52.177 54.000 -0.001 0.000 0.865 137 D CB 1.035 41.851 40.800 0.027 0.000 1.034 137 D HN 0.358 nan 8.370 nan 0.000 0.511 138 P HA 0.378 nan 4.420 nan 0.000 0.289 138 P C -0.646 176.709 177.300 0.093 0.000 1.300 138 P CA -0.526 62.608 63.100 0.056 0.000 0.828 138 P CB 2.056 33.764 31.700 0.013 0.000 1.235 139 T N -1.852 112.755 114.554 0.089 0.000 2.787 139 T HA 0.331 4.681 4.350 -0.000 0.000 0.297 139 T C -1.782 173.042 174.700 0.205 0.000 1.221 139 T CA -0.452 61.757 62.100 0.183 0.000 1.006 139 T CB 0.219 69.280 68.868 0.321 0.000 1.328 139 T HN 0.316 nan 8.240 nan 0.000 0.509 140 W N 4.721 126.052 121.300 0.050 0.000 2.417 140 W HA 0.244 4.904 4.660 -0.000 0.000 0.332 140 W C -1.538 174.904 176.519 -0.129 0.000 1.413 140 W CA -1.705 55.544 57.345 -0.159 0.000 1.299 140 W CB 0.464 29.652 29.460 -0.454 0.000 1.304 140 W HN 0.486 nan 8.180 nan 0.000 0.565 141 P HA -0.277 nan 4.420 nan 0.000 0.217 141 P C 0.821 177.866 177.300 -0.425 0.000 1.148 141 P CA 2.034 64.959 63.100 -0.292 0.000 0.828 141 P CB 0.331 31.860 31.700 -0.286 0.000 0.783 142 N N -1.048 117.103 118.700 -0.916 0.000 2.443 142 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 142 N C 1.674 176.960 175.510 -0.374 0.000 1.037 142 N CA 0.804 53.332 53.050 -0.871 0.000 0.896 142 N CB -0.973 36.489 38.487 -1.708 0.000 0.959 142 N HN 0.477 nan 8.380 nan 0.000 0.442 143 H N -0.970 118.007 119.070 -0.155 0.000 2.333 143 H HA 0.039 4.595 4.556 -0.000 0.000 0.302 143 H C 1.680 177.007 175.328 -0.002 0.000 1.075 143 H CA 1.059 57.131 56.048 0.039 0.000 1.348 143 H CB 0.300 30.140 29.762 0.129 0.000 1.393 143 H HN -0.011 nan 8.280 nan 0.000 0.509 144 V N 0.718 120.692 119.914 0.100 0.000 2.453 144 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 144 V C 2.502 178.605 176.094 0.016 0.000 1.048 144 V CA 1.677 64.004 62.300 0.043 0.000 1.049 144 V CB -0.380 31.451 31.823 0.014 0.000 0.672 144 V HN 0.553 nan 8.190 nan 0.000 0.457 145 S N 0.611 116.290 115.700 -0.035 0.000 2.368 145 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 145 S C 1.978 176.598 174.600 0.034 0.000 1.030 145 S CA 1.637 59.816 58.200 -0.036 0.000 0.999 145 S CB -0.662 62.467 63.200 -0.119 0.000 0.844 145 S HN 0.530 nan 8.310 nan 0.000 0.459 146 I N 1.231 121.823 120.570 0.038 0.000 2.226 146 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 146 I C 2.808 179.028 176.117 0.171 0.000 1.100 146 I CA 1.567 62.943 61.300 0.126 0.000 1.374 146 I CB -0.407 37.664 38.000 0.117 0.000 1.057 146 I HN 0.292 nan 8.210 nan 0.000 0.413 147 M N 0.243 119.911 119.600 0.113 0.000 2.159 147 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 147 M C 2.016 178.357 176.300 0.068 0.000 1.063 147 M CA 1.603 56.953 55.300 0.082 0.000 1.110 147 M CB -0.438 32.197 32.600 0.059 0.000 1.374 147 M HN 0.243 nan 8.290 nan 0.000 0.411 148 N N 0.354 119.100 118.700 0.076 0.000 2.058 148 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 148 N C 1.533 177.104 175.510 0.102 0.000 1.037 148 N CA 1.303 54.392 53.050 0.065 0.000 0.848 148 N CB -0.649 37.872 38.487 0.057 0.000 1.021 148 N HN 0.255 nan 8.380 nan 0.000 0.422 149 F N 1.652 121.594 119.950 -0.012 0.000 2.091 149 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 149 F C 2.180 177.978 175.800 -0.003 0.000 1.103 149 F CA 1.420 59.414 58.000 -0.009 0.000 1.228 149 F CB -0.357 38.637 39.000 -0.010 0.000 0.984 149 F HN -0.024 nan 8.300 nan 0.000 0.477 150 M N -0.461 119.079 119.600 -0.100 0.000 2.476 150 M HA 0.102 4.582 4.480 -0.000 0.000 0.262 150 M C 1.495 177.708 176.300 -0.144 0.000 1.079 150 M CA 1.152 56.331 55.300 -0.201 0.000 1.104 150 M CB -0.552 32.022 32.600 -0.044 0.000 1.409 150 M HN 0.414 nan 8.290 nan 0.000 0.467 151 G N 1.028 109.778 108.800 -0.083 0.000 2.137 151 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.237 151 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.237 151 G C -0.226 174.652 174.900 -0.036 0.000 1.002 151 G CA -0.370 44.694 45.100 -0.060 0.000 0.702 151 G HN 0.241 nan 8.290 nan 0.000 0.515 155 V N 2.605 122.470 119.914 -0.081 0.000 2.409 155 V HA 0.506 4.626 4.120 -0.000 0.000 0.291 155 V C -0.250 175.744 176.094 -0.167 0.000 1.020 155 V CA -0.453 61.784 62.300 -0.104 0.000 0.848 155 V CB 1.758 33.552 31.823 -0.049 0.000 0.990 155 V HN 0.481 nan 8.190 nan 0.000 0.430 156 Q N 2.172 121.789 119.800 -0.305 0.000 2.345 156 Q HA 0.665 5.005 4.340 -0.000 0.000 0.268 156 Q C -0.322 175.551 176.000 -0.212 0.000 1.054 156 Q CA -0.677 54.898 55.803 -0.379 0.000 0.835 156 Q CB 2.804 31.032 28.738 -0.850 0.000 1.339 156 Q HN 0.894 nan 8.270 nan 0.000 0.447 157 T N -1.315 113.203 114.554 -0.059 0.000 2.918 157 T HA 0.650 5.000 4.350 -0.000 0.000 0.286 157 T C -0.800 174.020 174.700 0.199 0.000 1.026 157 T CA -0.697 61.418 62.100 0.026 0.000 1.031 157 T CB 0.679 69.534 68.868 -0.022 0.000 1.046 157 T HN 0.503 nan 8.240 nan 0.000 0.479 158 Y N -0.681 119.748 120.300 0.214 0.000 2.446 158 Y HA 0.732 5.282 4.550 -0.000 0.000 0.345 158 Y C 0.060 176.061 175.900 0.168 0.000 0.984 158 Y CA -1.739 56.481 58.100 0.200 0.000 1.058 158 Y CB 1.116 39.700 38.460 0.206 0.000 1.220 158 Y HN 0.645 nan 8.280 nan 0.000 0.455 159 R N 2.051 122.727 120.500 0.294 0.000 2.640 159 R HA 0.062 4.402 4.340 -0.000 0.000 0.270 159 R C -0.813 175.690 176.300 0.340 0.000 1.024 159 R CA 0.702 56.931 56.100 0.215 0.000 1.085 159 R CB 0.244 30.620 30.300 0.126 0.000 0.963 159 R HN 0.985 nan 8.270 nan 0.000 0.426 160 Y N 1.831 122.198 120.300 0.112 0.000 3.032 160 Y HA 0.180 4.730 4.550 -0.000 0.000 0.232 160 Y C -0.607 175.343 175.900 0.085 0.000 1.099 160 Y CA -0.401 57.765 58.100 0.111 0.000 1.328 160 Y CB 0.374 38.864 38.460 0.049 0.000 1.432 160 Y HN 0.485 nan 8.280 nan 0.000 0.433 161 F N 3.254 123.252 119.950 0.080 0.000 2.410 161 F HA 0.310 4.837 4.527 -0.000 0.000 0.348 161 F C -0.103 175.677 175.800 -0.035 0.000 1.106 161 F CA -0.806 57.187 58.000 -0.012 0.000 1.163 161 F CB 0.568 39.601 39.000 0.055 0.000 1.129 161 F HN 0.040 nan 8.300 nan 0.000 0.516 162 D N 5.361 125.310 120.400 -0.752 0.000 2.456 162 D HA 0.255 4.895 4.640 -0.000 0.000 0.219 162 D C 0.959 176.771 176.300 -0.814 0.000 1.126 162 D CA 0.221 53.886 54.000 -0.558 0.000 0.890 162 D CB 1.443 42.004 40.800 -0.397 0.000 1.025 162 D HN 0.773 nan 8.370 nan 0.000 0.511 163 A N 4.036 126.596 122.820 -0.434 0.000 1.971 163 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 163 A C 1.913 179.369 177.584 -0.212 0.000 1.182 163 A CA 1.761 53.678 52.037 -0.200 0.000 0.649 163 A CB -0.215 18.785 19.000 0.000 0.000 0.818 163 A HN 0.669 nan 8.150 nan 0.000 0.458 164 E N -1.653 118.416 120.200 -0.218 0.000 2.140 164 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 164 E C 2.052 178.531 176.600 -0.201 0.000 0.973 164 E CA 1.142 57.445 56.400 -0.163 0.000 0.829 164 E CB 0.110 29.745 29.700 -0.108 0.000 0.781 164 E HN 0.774 nan 8.360 nan 0.000 0.466 165 T N -2.240 112.164 114.554 -0.251 0.000 3.081 165 T HA 0.108 4.458 4.350 -0.000 0.000 0.250 165 T C 0.667 175.206 174.700 -0.269 0.000 1.100 165 T CA -0.018 61.959 62.100 -0.206 0.000 1.038 165 T CB 0.079 68.850 68.868 -0.162 0.000 0.962 165 T HN 0.008 nan 8.240 nan 0.000 0.516 166 R N 0.479 120.685 120.500 -0.490 0.000 3.641 166 R HA -0.090 4.250 4.340 -0.000 0.000 0.286 166 R C 0.562 176.809 176.300 -0.089 0.000 1.153 166 R CA 0.780 56.603 56.100 -0.463 0.000 0.775 166 R CB -2.025 27.914 30.300 -0.601 0.000 1.215 166 R HN 0.781 nan 8.270 nan 0.000 0.474 167 G N -2.110 106.513 108.800 -0.295 0.000 3.217 167 G HA2 0.652 4.612 3.960 -0.000 0.000 0.213 167 G HA3 0.652 4.612 3.960 -0.000 0.000 0.213 167 G C -0.917 173.840 174.900 -0.238 0.000 1.294 167 G CA -0.358 44.679 45.100 -0.104 0.000 0.987 167 G HN 0.060 nan 8.290 nan 0.000 0.584 168 V N 0.791 120.573 119.914 -0.221 0.000 2.439 168 V HA 0.276 4.396 4.120 -0.000 0.000 0.282 168 V C -0.537 175.430 176.094 -0.211 0.000 1.039 168 V CA -0.327 61.765 62.300 -0.347 0.000 0.913 168 V CB 1.579 33.140 31.823 -0.437 0.000 0.983 168 V HN 0.697 nan 8.190 nan 0.000 0.460 169 D N 3.165 123.448 120.400 -0.195 0.000 2.558 169 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 169 D C 0.686 176.970 176.300 -0.027 0.000 1.143 169 D CA -0.217 53.728 54.000 -0.092 0.000 1.010 169 D CB 0.041 40.794 40.800 -0.078 0.000 1.068 169 D HN 0.391 nan 8.370 nan 0.000 0.511 170 F N 2.057 121.912 119.950 -0.159 0.000 2.134 170 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 170 F C 1.932 177.681 175.800 -0.085 0.000 1.097 170 F CA 1.217 59.137 58.000 -0.134 0.000 1.264 170 F CB 0.312 39.231 39.000 -0.135 0.000 1.001 170 F HN 0.281 nan 8.300 nan 0.000 0.479 171 E N -0.024 120.140 120.200 -0.061 0.000 2.077 171 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 171 E C 2.561 179.073 176.600 -0.148 0.000 0.989 171 E CA 1.191 57.517 56.400 -0.123 0.000 0.800 171 E CB -1.238 28.439 29.700 -0.039 0.000 0.746 171 E HN 0.486 nan 8.360 nan 0.000 0.452 172 G N 1.130 109.876 108.800 -0.090 0.000 2.422 172 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 172 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 172 G C 1.646 176.513 174.900 -0.055 0.000 1.146 172 G CA 0.940 46.010 45.100 -0.050 0.000 0.769 172 G HN 0.210 nan 8.290 nan 0.000 0.547 173 M N 0.117 119.656 119.600 -0.102 0.000 2.086 173 M HA -0.010 4.470 4.480 -0.000 0.000 0.261 173 M C 2.558 178.694 176.300 -0.273 0.000 1.067 173 M CA 1.631 56.870 55.300 -0.101 0.000 1.116 173 M CB -0.141 32.385 32.600 -0.124 0.000 1.348 173 M HN 0.110 nan 8.290 nan 0.000 0.407 174 K N 0.176 120.307 120.400 -0.448 0.000 2.057 174 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 174 K C 2.033 178.494 176.600 -0.232 0.000 1.049 174 K CA 1.505 57.544 56.287 -0.414 0.000 0.931 174 K CB -0.362 31.852 32.500 -0.478 0.000 0.714 174 K HN 0.464 nan 8.250 nan 0.000 0.440 175 A N 2.107 124.829 122.820 -0.165 0.000 1.883 175 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 175 A C 1.694 179.245 177.584 -0.055 0.000 1.186 175 A CA 2.055 54.039 52.037 -0.089 0.000 0.624 175 A CB -0.483 18.484 19.000 -0.055 0.000 0.822 175 A HN 0.206 nan 8.150 nan 0.000 0.444 176 D N 0.020 120.406 120.400 -0.023 0.000 2.117 176 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 176 D C 1.955 178.233 176.300 -0.038 0.000 0.982 176 D CA 0.931 54.966 54.000 0.059 0.000 0.828 176 D CB -0.385 40.525 40.800 0.183 0.000 0.967 176 D HN 0.432 nan 8.370 nan 0.000 0.464 177 L N 0.727 121.841 121.223 -0.183 0.000 2.191 177 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 177 L C 2.423 179.106 176.870 -0.311 0.000 1.103 177 L CA 0.772 55.391 54.840 -0.368 0.000 0.769 177 L CB -0.354 41.459 42.059 -0.410 0.000 0.908 177 L HN -0.022 nan 8.230 nan 0.000 0.438 178 A N 0.031 122.735 122.820 -0.193 0.000 2.015 178 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 178 A C 2.420 179.943 177.584 -0.102 0.000 1.163 178 A CA 1.386 53.341 52.037 -0.136 0.000 0.646 178 A CB -0.442 18.500 19.000 -0.097 0.000 0.806 178 A HN 0.389 nan 8.150 nan 0.000 0.448 179 A N -0.377 122.399 122.820 -0.074 0.000 2.168 179 A HA 0.480 4.800 4.320 -0.000 0.000 0.215 179 A C 1.459 179.057 177.584 0.024 0.000 1.152 179 A CA 0.843 52.889 52.037 0.015 0.000 0.716 179 A CB -0.884 18.183 19.000 0.112 0.000 0.794 179 A HN 0.944 nan 8.150 nan 0.000 0.465 180 A N -0.143 122.569 122.820 -0.180 0.000 2.409 180 A HA 0.496 4.816 4.320 -0.000 0.000 0.246 180 A C 0.445 178.009 177.584 -0.033 0.000 1.099 180 A CA 0.195 52.106 52.037 -0.211 0.000 0.789 180 A CB 0.283 18.953 19.000 -0.550 0.000 1.053 180 A HN 0.237 nan 8.150 nan 0.000 0.503 181 K N -0.005 120.418 120.400 0.037 0.000 2.433 181 K HA 0.330 4.650 4.320 -0.000 0.000 0.252 181 K C -0.620 175.999 176.600 0.032 0.000 1.015 181 K CA -0.900 55.409 56.287 0.038 0.000 0.860 181 K CB 1.550 34.090 32.500 0.066 0.000 1.359 181 K HN 0.749 nan 8.250 nan 0.000 0.452 182 K N 0.188 120.602 120.400 0.023 0.000 2.447 182 K HA 0.154 4.474 4.320 -0.000 0.000 0.281 182 K C 0.635 177.256 176.600 0.036 0.000 1.031 182 K CA 1.492 57.792 56.287 0.021 0.000 1.019 182 K CB -0.122 32.388 32.500 0.016 0.000 0.918 182 K HN 0.736 nan 8.250 nan 0.000 0.476 183 G N 3.252 112.075 108.800 0.039 0.000 2.232 183 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.226 183 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.226 183 G C -0.338 174.604 174.900 0.070 0.000 0.996 183 G CA 0.020 45.148 45.100 0.047 0.000 0.626 183 G HN 0.690 nan 8.290 nan 0.000 0.509 184 D N 0.469 120.925 120.400 0.094 0.000 2.344 184 D HA 0.542 5.182 4.640 -0.000 0.000 0.244 184 D C 0.568 176.950 176.300 0.138 0.000 1.134 184 D CA 0.123 54.218 54.000 0.159 0.000 0.930 184 D CB 1.088 42.049 40.800 0.268 0.000 1.175 184 D HN 0.388 nan 8.370 nan 0.000 0.437 185 M N 1.315 121.026 119.600 0.185 0.000 2.294 185 M HA 0.394 4.874 4.480 -0.000 0.000 0.335 185 M C -1.708 174.721 176.300 0.214 0.000 1.079 185 M CA -0.733 54.657 55.300 0.150 0.000 0.982 185 M CB 1.434 34.105 32.600 0.118 0.000 1.651 185 M HN -0.023 nan 8.290 nan 0.000 0.437 186 V N 5.788 125.788 119.914 0.142 0.000 2.384 186 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 186 V C -0.758 175.437 176.094 0.169 0.000 1.020 186 V CA -0.821 61.576 62.300 0.162 0.000 0.850 186 V CB 1.441 33.262 31.823 -0.003 0.000 0.987 186 V HN 0.753 nan 8.190 nan 0.000 0.436 187 L N 7.053 128.414 121.223 0.229 0.000 2.255 187 L HA 0.531 4.871 4.340 -0.000 0.000 0.289 187 L C -0.786 176.231 176.870 0.246 0.000 1.046 187 L CA 0.218 55.144 54.840 0.142 0.000 0.816 187 L CB 0.649 42.701 42.059 -0.012 0.000 1.197 187 L HN 0.373 nan 8.230 nan 0.000 0.427 188 L N 5.078 126.439 121.223 0.229 0.000 2.346 188 L HA 0.433 4.772 4.340 -0.000 0.000 0.276 188 L C 0.068 177.143 176.870 0.342 0.000 1.006 188 L CA -0.425 54.621 54.840 0.344 0.000 0.817 188 L CB 1.533 43.815 42.059 0.371 0.000 1.272 188 L HN 0.568 nan 8.230 nan 0.000 0.421 189 H N 2.049 121.290 119.070 0.285 0.000 2.690 189 H HA 0.104 4.660 4.556 -0.000 0.000 0.314 189 H C 0.929 176.508 175.328 0.419 0.000 1.069 189 H CA 0.221 56.433 56.048 0.273 0.000 1.436 189 H CB 1.543 31.428 29.762 0.205 0.000 1.462 189 H HN 0.874 nan 8.280 nan 0.000 0.511 190 G N 2.808 111.865 108.800 0.428 0.000 2.432 190 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 190 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 190 G C 0.594 175.749 174.900 0.425 0.000 1.135 190 G CA 1.080 46.408 45.100 0.380 0.000 0.767 190 G HN 0.774 nan 8.290 nan 0.000 0.550 191 C N -4.925 114.618 119.300 0.406 0.000 3.253 191 C HA 0.454 4.914 4.460 -0.000 0.000 0.362 191 C C 0.435 175.626 174.990 0.335 0.000 1.487 191 C CA -1.087 58.149 59.018 0.364 0.000 1.179 191 C CB 0.475 28.371 27.740 0.260 0.000 1.660 191 C HN 0.782 nan 8.230 nan 0.000 0.438 192 C N 2.147 121.601 119.300 0.257 0.000 2.769 192 C HA -0.124 4.336 4.460 -0.000 0.000 0.222 192 C C 0.651 175.739 174.990 0.163 0.000 1.371 192 C CA 1.127 60.233 59.018 0.147 0.000 2.390 192 C CB -3.224 24.529 27.740 0.022 0.000 1.523 192 C HN 1.128 nan 8.230 nan 0.000 0.394 193 H N 2.365 121.490 119.070 0.092 0.000 3.145 193 H HA 0.046 4.602 4.556 -0.000 0.000 0.288 193 H C 0.542 175.837 175.328 -0.056 0.000 0.969 193 H CA 0.968 56.980 56.048 -0.059 0.000 1.444 193 H CB 0.436 30.123 29.762 -0.126 0.000 1.500 193 H HN 0.702 nan 8.280 nan 0.000 0.552 194 N N 6.976 125.483 118.700 -0.322 0.000 2.426 194 N HA 0.126 4.866 4.740 -0.000 0.000 0.275 194 N C -2.043 173.256 175.510 -0.352 0.000 1.019 194 N CA -2.207 50.744 53.050 -0.165 0.000 0.941 194 N CB 1.590 40.048 38.487 -0.047 0.000 1.123 194 N HN 0.396 nan 8.380 nan 0.000 0.486 195 P HA 0.091 nan 4.420 nan 0.000 0.267 195 P C 0.753 177.982 177.300 -0.118 0.000 1.289 195 P CA 0.325 63.291 63.100 -0.223 0.000 0.866 195 P CB 0.290 31.851 31.700 -0.232 0.000 1.309 196 T N -3.911 110.612 114.554 -0.051 0.000 2.851 196 T HA 0.147 4.497 4.350 -0.000 0.000 0.262 196 T C 1.802 176.332 174.700 -0.282 0.000 1.043 196 T CA 1.579 63.530 62.100 -0.249 0.000 1.140 196 T CB -1.209 67.454 68.868 -0.340 0.000 0.872 196 T HN 0.183 nan 8.240 nan 0.000 0.446 197 G N 1.443 110.178 108.800 -0.107 0.000 2.195 197 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.246 197 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.246 197 G C 0.260 175.024 174.900 -0.227 0.000 0.984 197 G CA 0.020 45.011 45.100 -0.182 0.000 0.633 197 G HN 1.247 nan 8.290 nan 0.000 0.525 198 A N 0.245 122.973 122.820 -0.153 0.000 2.331 198 A HA 0.698 5.018 4.320 -0.000 0.000 0.283 198 A C 0.114 177.810 177.584 0.187 0.000 1.142 198 A CA -0.127 51.962 52.037 0.085 0.000 0.812 198 A CB 0.416 19.528 19.000 0.186 0.000 1.074 198 A HN 0.384 nan 8.150 nan 0.000 0.497 199 N N 1.384 120.185 118.700 0.167 0.000 2.242 199 N HA 0.417 5.157 4.740 -0.000 0.000 0.292 199 N C -1.031 174.537 175.510 0.097 0.000 1.125 199 N CA -0.554 52.624 53.050 0.213 0.000 0.783 199 N CB 1.560 40.196 38.487 0.249 0.000 1.558 199 N HN 0.560 nan 8.380 nan 0.000 0.472 200 L N 0.988 122.251 121.223 0.066 0.000 2.439 200 L HA 0.252 4.592 4.340 -0.000 0.000 0.269 200 L C 1.461 178.348 176.870 0.028 0.000 1.179 200 L CA -0.242 54.508 54.840 -0.149 0.000 0.828 200 L CB 0.426 42.144 42.059 -0.568 0.000 1.106 200 L HN 0.643 nan 8.230 nan 0.000 0.467 201 T N -0.941 113.581 114.554 -0.054 0.000 2.847 201 T HA 0.187 4.537 4.350 -0.000 0.000 0.279 201 T C 0.808 175.653 174.700 0.242 0.000 0.984 201 T CA -0.797 61.350 62.100 0.078 0.000 0.988 201 T CB 1.199 70.050 68.868 -0.029 0.000 1.040 201 T HN 0.441 nan 8.240 nan 0.000 0.528 202 L N 0.424 121.794 121.223 0.245 0.000 2.275 202 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 202 L C 1.919 178.902 176.870 0.189 0.000 1.119 202 L CA 1.738 56.740 54.840 0.271 0.000 0.790 202 L CB -0.906 41.226 42.059 0.121 0.000 0.919 202 L HN 0.710 nan 8.230 nan 0.000 0.443 203 D N -1.305 119.137 120.400 0.071 0.000 2.194 203 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 203 D C 1.869 178.151 176.300 -0.031 0.000 0.964 203 D CA 0.905 54.915 54.000 0.017 0.000 0.846 203 D CB 0.158 40.940 40.800 -0.031 0.000 0.962 203 D HN 0.560 nan 8.370 nan 0.000 0.490 204 Q N -0.375 119.322 119.800 -0.170 0.000 2.187 204 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 204 Q C 1.961 177.961 176.000 0.000 0.000 0.957 204 Q CA 0.747 56.296 55.803 -0.424 0.000 0.857 204 Q CB -0.031 28.088 28.738 -1.032 0.000 0.929 204 Q HN 0.371 nan 8.270 nan 0.000 0.453 205 W N 0.823 122.138 121.300 0.026 0.000 2.358 205 W HA -0.175 4.485 4.660 -0.000 0.000 0.303 205 W C 2.494 179.061 176.519 0.080 0.000 1.208 205 W CA 1.112 58.507 57.345 0.083 0.000 1.274 205 W CB -0.163 29.333 29.460 0.060 0.000 1.138 205 W HN 0.159 nan 8.180 nan 0.000 0.515 206 A N 0.196 123.189 122.820 0.288 0.000 1.902 206 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 206 A C 1.776 179.456 177.584 0.160 0.000 1.181 206 A CA 1.838 53.985 52.037 0.184 0.000 0.623 206 A CB -0.765 18.309 19.000 0.124 0.000 0.818 206 A HN 0.367 nan 8.150 nan 0.000 0.443 207 E N -0.460 119.848 120.200 0.180 0.000 2.077 207 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 207 E C 1.884 178.565 176.600 0.134 0.000 0.989 207 E CA 1.064 57.571 56.400 0.177 0.000 0.800 207 E CB -0.225 29.659 29.700 0.307 0.000 0.746 207 E HN 0.507 nan 8.360 nan 0.000 0.452 208 I N 1.129 121.803 120.570 0.172 0.000 2.286 208 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 208 I C 2.483 178.646 176.117 0.077 0.000 1.115 208 I CA 1.072 62.417 61.300 0.074 0.000 1.392 208 I CB -1.414 36.623 38.000 0.062 0.000 1.065 208 I HN 0.009 nan 8.210 nan 0.000 0.418 209 A N 0.316 123.219 122.820 0.139 0.000 1.933 209 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 209 A C 2.563 180.182 177.584 0.058 0.000 1.175 209 A CA 2.057 54.160 52.037 0.110 0.000 0.628 209 A CB -0.662 18.414 19.000 0.127 0.000 0.814 209 A HN 0.453 nan 8.150 nan 0.000 0.444 210 S N 0.149 115.880 115.700 0.052 0.000 2.348 210 S HA -0.143 4.327 4.470 -0.000 0.000 0.221 210 S C 1.828 176.427 174.600 -0.002 0.000 1.033 210 S CA 1.547 59.763 58.200 0.026 0.000 1.010 210 S CB -0.566 62.651 63.200 0.029 0.000 0.891 210 S HN 0.558 nan 8.310 nan 0.000 0.442 211 I N 1.511 122.067 120.570 -0.023 0.000 2.163 211 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 211 I C 2.247 178.325 176.117 -0.065 0.000 1.085 211 I CA 1.206 62.468 61.300 -0.064 0.000 1.347 211 I CB -0.508 37.423 38.000 -0.115 0.000 1.044 211 I HN 0.215 nan 8.210 nan 0.000 0.408 212 L N 0.323 121.515 121.223 -0.051 0.000 2.012 212 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 212 L C 2.680 179.536 176.870 -0.022 0.000 1.073 212 L CA 1.641 56.455 54.840 -0.043 0.000 0.748 212 L CB -0.621 41.433 42.059 -0.009 0.000 0.891 212 L HN 0.315 nan 8.230 nan 0.000 0.431 213 E N 0.475 120.673 120.200 -0.005 0.000 2.038 213 E HA -0.318 4.032 4.350 -0.000 0.000 0.195 213 E C 2.255 178.850 176.600 -0.007 0.000 1.000 213 E CA 1.741 58.142 56.400 0.001 0.000 0.803 213 E CB 0.006 29.712 29.700 0.010 0.000 0.750 213 E HN 0.290 nan 8.360 nan 0.000 0.448 214 K N -0.187 120.205 120.400 -0.014 0.000 2.032 214 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 214 K C 2.193 178.780 176.600 -0.022 0.000 1.048 214 K CA 2.087 58.364 56.287 -0.017 0.000 0.927 214 K CB -0.276 32.210 32.500 -0.023 0.000 0.712 214 K HN 0.263 nan 8.250 nan 0.000 0.441 215 T N -3.218 111.314 114.554 -0.036 0.000 3.023 215 T HA 0.097 4.447 4.350 -0.000 0.000 0.266 215 T C 1.350 176.035 174.700 -0.025 0.000 1.093 215 T CA 0.811 62.886 62.100 -0.041 0.000 1.129 215 T CB -0.180 68.641 68.868 -0.077 0.000 0.899 215 T HN 0.453 nan 8.240 nan 0.000 0.491 216 G N 1.384 110.173 108.800 -0.019 0.000 2.147 216 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.244 216 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.244 216 G C 0.165 175.063 174.900 -0.003 0.000 1.005 216 G CA -0.051 45.046 45.100 -0.006 0.000 0.713 216 G HN 1.198 nan 8.290 nan 0.000 0.515 217 A N -0.411 122.398 122.820 -0.019 0.000 2.363 217 A HA 0.725 5.045 4.320 -0.000 0.000 0.270 217 A C 0.336 177.924 177.584 0.007 0.000 1.121 217 A CA -0.138 51.890 52.037 -0.015 0.000 0.800 217 A CB 0.904 19.862 19.000 -0.071 0.000 1.052 217 A HN 1.581 nan 8.150 nan 0.000 0.493 218 L N 5.548 126.788 121.223 0.029 0.000 2.278 218 L HA 0.475 4.815 4.340 -0.000 0.000 0.287 218 L C -2.176 174.725 176.870 0.052 0.000 1.072 218 L CA -1.573 53.291 54.840 0.040 0.000 0.819 218 L CB 0.902 42.988 42.059 0.045 0.000 1.176 218 L HN 0.434 nan 8.230 nan 0.000 0.435 219 P HA 0.220 nan 4.420 nan 0.000 0.290 219 P C -1.419 175.931 177.300 0.083 0.000 1.276 219 P CA -0.637 62.509 63.100 0.078 0.000 0.808 219 P CB 1.847 33.604 31.700 0.095 0.000 0.966 220 L N 4.863 126.140 121.223 0.090 0.000 2.305 220 L HA 0.487 4.827 4.340 -0.000 0.000 0.284 220 L C -0.799 176.124 176.870 0.088 0.000 1.013 220 L CA -0.715 54.170 54.840 0.076 0.000 0.819 220 L CB 0.560 42.655 42.059 0.060 0.000 1.227 220 L HN 0.244 nan 8.230 nan 0.000 0.417 221 I N 4.512 125.136 120.570 0.089 0.000 2.321 221 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 221 I C -0.506 175.656 176.117 0.076 0.000 0.998 221 I CA -0.469 60.897 61.300 0.111 0.000 1.227 221 I CB 1.439 39.510 38.000 0.117 0.000 1.368 221 I HN 0.547 nan 8.210 nan 0.000 0.466 222 D N 7.521 127.955 120.400 0.056 0.000 2.411 222 D HA 0.229 4.869 4.640 -0.000 0.000 0.225 222 D C -1.072 175.257 176.300 0.049 0.000 1.156 222 D CA -0.364 53.648 54.000 0.021 0.000 0.874 222 D CB 1.049 41.817 40.800 -0.054 0.000 1.034 222 D HN 0.190 nan 8.370 nan 0.000 0.502 223 L N 4.039 125.293 121.223 0.052 0.000 2.313 223 L HA 0.603 4.943 4.340 -0.000 0.000 0.273 223 L C 0.334 177.223 176.870 0.032 0.000 1.028 223 L CA -0.229 54.656 54.840 0.075 0.000 0.871 223 L CB 0.970 43.072 42.059 0.072 0.000 1.242 223 L HN 0.421 nan 8.230 nan 0.000 0.434 224 A N 4.018 126.846 122.820 0.013 0.000 2.287 224 A HA 0.257 4.576 4.320 -0.000 0.000 0.214 224 A C 0.242 177.674 177.584 -0.254 0.000 1.228 224 A CA 0.232 52.170 52.037 -0.165 0.000 0.939 224 A CB 0.130 18.916 19.000 -0.358 0.000 0.992 224 A HN 0.617 nan 8.150 nan 0.000 0.502 225 Y N 0.479 120.839 120.300 0.099 0.000 2.672 225 Y HA 0.312 4.862 4.550 -0.000 0.000 0.272 225 Y C 0.531 176.606 175.900 0.293 0.000 1.055 225 Y CA -0.593 57.625 58.100 0.196 0.000 1.151 225 Y CB 0.294 38.806 38.460 0.086 0.000 1.190 225 Y HN 0.339 nan 8.280 nan 0.000 0.574 226 Q N 0.897 120.881 119.800 0.307 0.000 2.263 226 Q HA 0.356 4.696 4.340 -0.000 0.000 0.270 226 Q C 0.964 177.046 176.000 0.138 0.000 1.104 226 Q CA 1.226 57.149 55.803 0.200 0.000 0.909 226 Q CB 0.205 29.027 28.738 0.141 0.000 1.214 226 Q HN 0.844 nan 8.270 nan 0.000 0.400 227 G N 3.306 112.129 108.800 0.039 0.000 2.255 227 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.196 227 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.196 227 G C 0.135 174.829 174.900 -0.343 0.000 0.998 227 G CA -0.136 44.835 45.100 -0.215 0.000 0.656 227 G HN 0.643 nan 8.290 nan 0.000 0.490 228 F N 1.611 121.565 119.950 0.005 0.000 2.746 228 F HA 0.393 4.920 4.527 -0.000 0.000 0.297 228 F C 2.340 178.126 175.800 -0.022 0.000 1.113 228 F CA 1.056 59.050 58.000 -0.010 0.000 1.367 228 F CB 0.425 39.461 39.000 0.060 0.000 1.111 228 F HN 0.308 nan 8.300 nan 0.000 0.590 229 G N -0.296 108.589 108.800 0.142 0.000 2.632 229 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.220 229 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.220 229 G C 0.942 175.868 174.900 0.043 0.000 1.439 229 G CA 0.543 45.703 45.100 0.101 0.000 0.934 229 G HN 0.117 nan 8.290 nan 0.000 0.536 230 D N -0.003 120.413 120.400 0.027 0.000 2.441 230 D HA 0.355 4.995 4.640 -0.000 0.000 0.210 230 D C 1.038 177.312 176.300 -0.043 0.000 1.102 230 D CA 0.930 54.928 54.000 -0.002 0.000 0.840 230 D CB 1.919 42.730 40.800 0.018 0.000 0.990 230 D HN 0.546 nan 8.370 nan 0.000 0.505 234 E N 0.976 121.142 120.200 -0.057 0.000 2.047 234 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 234 E C 1.534 178.111 176.600 -0.039 0.000 0.987 234 E CA 1.668 58.044 56.400 -0.040 0.000 0.799 234 E CB 0.052 29.728 29.700 -0.040 0.000 0.752 234 E HN 0.350 nan 8.360 nan 0.000 0.449 235 E N 1.446 121.623 120.200 -0.038 0.000 2.118 235 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 235 E C 1.328 177.919 176.600 -0.015 0.000 0.992 235 E CA 1.287 57.671 56.400 -0.026 0.000 0.804 235 E CB -0.113 29.576 29.700 -0.019 0.000 0.741 235 E HN 0.087 nan 8.360 nan 0.000 0.458 236 D N -0.817 119.582 120.400 -0.002 0.000 2.312 236 D HA -0.011 4.629 4.640 -0.000 0.000 0.211 236 D C 1.124 177.422 176.300 -0.003 0.000 0.964 236 D CA 1.116 55.135 54.000 0.031 0.000 0.877 236 D CB 0.003 40.843 40.800 0.066 0.000 0.924 236 D HN 0.307 nan 8.370 nan 0.000 0.515 237 A N 0.195 122.993 122.820 -0.036 0.000 2.275 237 A HA 0.406 4.726 4.320 -0.000 0.000 0.212 237 A C 2.112 179.608 177.584 -0.146 0.000 1.201 237 A CA 0.768 52.761 52.037 -0.073 0.000 0.843 237 A CB 0.009 18.985 19.000 -0.040 0.000 0.873 237 A HN 0.128 nan 8.150 nan 0.000 0.492 238 A N 0.249 122.981 122.820 -0.147 0.000 1.892 238 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 238 A C 2.343 179.717 177.584 -0.350 0.000 1.188 238 A CA 2.100 54.029 52.037 -0.181 0.000 0.631 238 A CB -1.330 17.600 19.000 -0.118 0.000 0.822 238 A HN 0.714 nan 8.150 nan 0.000 0.447 239 G N -1.349 107.066 108.800 -0.642 0.000 2.421 239 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.216 239 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.216 239 G C 1.582 175.900 174.900 -0.971 0.000 1.171 239 G CA 1.680 45.938 45.100 -1.402 0.000 0.775 239 G HN 0.448 nan 8.290 nan 0.000 0.543 240 T N 0.725 114.895 114.554 -0.640 0.000 2.720 240 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 240 T C 2.463 177.042 174.700 -0.201 0.000 1.037 240 T CA 1.239 63.143 62.100 -0.326 0.000 1.144 240 T CB -0.152 68.614 68.868 -0.170 0.000 0.864 240 T HN 0.275 nan 8.240 nan 0.000 0.444 241 R N 0.334 120.722 120.500 -0.188 0.000 2.115 241 R HA 0.113 4.453 4.340 -0.000 0.000 0.230 241 R C 2.474 178.716 176.300 -0.096 0.000 1.111 241 R CA 0.768 56.800 56.100 -0.113 0.000 0.976 241 R CB -0.485 29.758 30.300 -0.094 0.000 0.870 241 R HN 0.330 nan 8.270 nan 0.000 0.445 242 L N 0.564 121.708 121.223 -0.133 0.000 2.027 242 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 242 L C 1.872 178.730 176.870 -0.019 0.000 1.074 242 L CA 1.315 56.116 54.840 -0.066 0.000 0.745 242 L CB -0.084 41.939 42.059 -0.059 0.000 0.898 242 L HN 0.047 nan 8.230 nan 0.000 0.433 243 I N 0.440 120.993 120.570 -0.028 0.000 2.226 243 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 243 I C 2.679 178.805 176.117 0.016 0.000 1.100 243 I CA 1.503 62.824 61.300 0.036 0.000 1.374 243 I CB -0.936 37.108 38.000 0.074 0.000 1.057 243 I HN 0.289 nan 8.210 nan 0.000 0.413 244 A N -0.152 122.660 122.820 -0.012 0.000 2.019 244 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 244 A C 2.438 180.020 177.584 -0.004 0.000 1.164 244 A CA 2.007 54.039 52.037 -0.008 0.000 0.644 244 A CB -0.880 18.107 19.000 -0.021 0.000 0.805 244 A HN 0.526 nan 8.150 nan 0.000 0.449 245 S N -1.085 114.611 115.700 -0.007 0.000 2.496 245 S HA 0.053 4.523 4.470 -0.000 0.000 0.224 245 S C 1.843 176.448 174.600 0.008 0.000 0.996 245 S CA 0.571 58.770 58.200 -0.002 0.000 0.927 245 S CB -0.086 63.110 63.200 -0.007 0.000 0.774 245 S HN 0.631 nan 8.310 nan 0.000 0.524 246 R N 0.038 120.548 120.500 0.016 0.000 2.102 246 R HA 0.343 4.683 4.340 -0.000 0.000 0.208 246 R C -0.042 176.271 176.300 0.022 0.000 1.131 246 R CA 0.160 56.274 56.100 0.023 0.000 1.054 246 R CB -0.054 30.267 30.300 0.036 0.000 0.954 246 R HN 0.332 nan 8.270 nan 0.000 0.465 247 I N 4.336 124.922 120.570 0.027 0.000 2.471 247 I HA 0.048 4.218 4.170 -0.000 0.000 0.286 247 I C -1.293 174.836 176.117 0.020 0.000 1.079 247 I CA -2.281 59.035 61.300 0.026 0.000 1.398 247 I CB 0.630 38.651 38.000 0.035 0.000 1.403 247 I HN 0.028 nan 8.210 nan 0.000 0.530 248 P HA -0.097 nan 4.420 nan 0.000 0.218 248 P C 0.252 177.560 177.300 0.015 0.000 1.149 248 P CA 1.138 64.246 63.100 0.013 0.000 0.817 248 P CB 0.779 32.486 31.700 0.011 0.000 0.785 249 E N -0.498 119.713 120.200 0.018 0.000 2.246 249 E HA 0.487 4.837 4.350 -0.000 0.000 0.266 249 E C -1.702 174.914 176.600 0.027 0.000 0.880 249 E CA -0.812 55.600 56.400 0.021 0.000 0.762 249 E CB 2.651 32.363 29.700 0.020 0.000 1.180 249 E HN -0.214 nan 8.360 nan 0.000 0.416 250 V N 4.573 124.504 119.914 0.028 0.000 3.048 250 V HA 0.509 4.629 4.120 -0.000 0.000 0.303 250 V C -2.177 173.939 176.094 0.036 0.000 1.214 250 V CA -0.724 61.597 62.300 0.036 0.000 0.984 250 V CB 1.829 33.673 31.823 0.035 0.000 1.054 250 V HN 0.497 nan 8.190 nan 0.000 0.430 251 L N 6.380 127.630 121.223 0.045 0.000 2.322 251 L HA 0.697 5.037 4.340 -0.000 0.000 0.281 251 L C -0.392 176.507 176.870 0.049 0.000 1.014 251 L CA -0.169 54.699 54.840 0.046 0.000 0.815 251 L CB 1.568 43.658 42.059 0.051 0.000 1.247 251 L HN 0.600 nan 8.230 nan 0.000 0.421 252 I N 2.833 123.429 120.570 0.042 0.000 2.447 252 I HA 0.618 4.788 4.170 -0.000 0.000 0.287 252 I C -0.283 175.861 176.117 0.045 0.000 1.023 252 I CA -0.724 60.601 61.300 0.042 0.000 1.083 252 I CB 2.015 40.031 38.000 0.026 0.000 1.245 252 I HN 0.647 nan 8.210 nan 0.000 0.434 253 A N 5.309 128.161 122.820 0.053 0.000 2.256 253 A HA 0.857 5.177 4.320 -0.000 0.000 0.317 253 A C -0.176 177.437 177.584 0.048 0.000 1.318 253 A CA -0.418 51.655 52.037 0.060 0.000 0.894 253 A CB 0.705 19.752 19.000 0.077 0.000 1.165 253 A HN 0.781 nan 8.150 nan 0.000 0.525 254 A N 2.106 124.953 122.820 0.045 0.000 2.317 254 A HA 0.759 5.079 4.320 -0.000 0.000 0.327 254 A C 0.180 177.789 177.584 0.042 0.000 1.178 254 A CA -0.327 51.733 52.037 0.038 0.000 0.817 254 A CB 1.064 20.081 19.000 0.029 0.000 1.189 254 A HN 1.205 nan 8.150 nan 0.000 0.489 255 S N 0.489 116.201 115.700 0.019 0.000 2.472 255 S HA 0.404 4.874 4.470 -0.000 0.000 0.303 255 S C 0.150 174.776 174.600 0.043 0.000 1.099 255 S CA -0.548 57.654 58.200 0.003 0.000 1.077 255 S CB 0.809 63.960 63.200 -0.083 0.000 1.031 255 S HN 0.761 nan 8.310 nan 0.000 0.487 256 C N 3.182 122.517 119.300 0.057 0.000 3.038 256 C HA 0.267 4.727 4.460 -0.000 0.000 0.279 256 C C 2.421 177.450 174.990 0.066 0.000 1.276 256 C CA -0.270 58.834 59.018 0.143 0.000 1.697 256 C CB -1.432 26.318 27.740 0.015 0.000 2.032 256 C HN 0.898 nan 8.230 nan 0.000 0.636 257 S N 1.975 117.641 115.700 -0.056 0.000 2.359 257 S HA -0.189 4.281 4.470 -0.000 0.000 0.224 257 S C 1.876 176.167 174.600 -0.516 0.000 1.035 257 S CA 1.685 59.760 58.200 -0.207 0.000 1.018 257 S CB -0.032 63.122 63.200 -0.078 0.000 0.876 257 S HN 0.681 nan 8.310 nan 0.000 0.448 258 K N 1.584 121.806 120.400 -0.296 0.000 2.099 258 K HA 0.074 4.394 4.320 -0.000 0.000 0.203 258 K C 1.777 178.498 176.600 0.202 0.000 1.047 258 K CA 1.023 57.185 56.287 -0.209 0.000 0.963 258 K CB -0.225 32.070 32.500 -0.342 0.000 0.759 258 K HN 0.359 nan 8.250 nan 0.000 0.451 259 N N 0.248 119.145 118.700 0.329 0.000 2.453 259 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 259 N C 0.838 176.442 175.510 0.158 0.000 1.041 259 N CA 1.228 54.486 53.050 0.346 0.000 0.900 259 N CB -0.238 38.418 38.487 0.282 0.000 0.961 259 N HN 0.137 nan 8.380 nan 0.000 0.443 260 F N -0.751 119.282 119.950 0.139 0.000 2.706 260 F HA 0.408 4.935 4.527 -0.000 0.000 0.308 260 F C 1.610 177.402 175.800 -0.013 0.000 1.095 260 F CA 0.148 58.167 58.000 0.032 0.000 1.244 260 F CB 0.378 39.278 39.000 -0.167 0.000 1.063 260 F HN 0.167 nan 8.300 nan 0.000 0.582 261 G N 2.220 111.020 108.800 -0.001 0.000 2.221 261 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.265 261 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.265 261 G C 0.488 175.326 174.900 -0.103 0.000 1.041 261 G CA 0.565 45.593 45.100 -0.120 0.000 0.807 261 G HN 0.607 nan 8.290 nan 0.000 0.502 262 I N -3.645 116.808 120.570 -0.194 0.000 3.399 262 I HA 0.444 4.614 4.170 -0.000 0.000 0.345 262 I C 1.585 177.689 176.117 -0.022 0.000 1.512 262 I CA -1.240 60.039 61.300 -0.036 0.000 1.047 262 I CB -0.336 37.646 38.000 -0.031 0.000 1.552 262 I HN 0.035 nan 8.210 nan 0.000 0.494 263 Y N 2.552 122.903 120.300 0.084 0.000 2.030 263 Y HA -0.342 4.208 4.550 -0.000 0.000 0.272 263 Y C 2.844 178.770 175.900 0.044 0.000 1.185 263 Y CA 2.548 60.685 58.100 0.061 0.000 1.120 263 Y CB -0.675 37.825 38.460 0.068 0.000 0.955 263 Y HN 0.446 nan 8.280 nan 0.000 0.495 264 R N 0.343 120.981 120.500 0.230 0.000 2.280 264 R HA -0.058 4.282 4.340 -0.000 0.000 0.207 264 R C 1.295 177.640 176.300 0.076 0.000 1.043 264 R CA 1.222 57.398 56.100 0.128 0.000 1.006 264 R CB -0.337 30.029 30.300 0.110 0.000 0.885 264 R HN 0.281 nan 8.270 nan 0.000 0.467 265 E N 1.355 121.594 120.200 0.065 0.000 2.274 265 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 265 E C -0.156 176.436 176.600 -0.013 0.000 0.996 265 E CA 0.274 56.693 56.400 0.030 0.000 0.840 265 E CB 0.020 29.730 29.700 0.017 0.000 0.772 265 E HN 0.176 nan 8.360 nan 0.000 0.491 266 R N 0.389 120.885 120.500 -0.007 0.000 2.855 266 R HA -0.116 4.224 4.340 -0.000 0.000 0.288 266 R C -0.227 176.031 176.300 -0.069 0.000 0.942 266 R CA 0.897 56.982 56.100 -0.024 0.000 0.705 266 R CB -3.080 27.201 30.300 -0.033 0.000 1.791 266 R HN 0.315 nan 8.270 nan 0.000 0.478 267 T N -1.386 113.128 114.554 -0.068 0.000 2.971 267 T HA 0.805 5.155 4.350 -0.000 0.000 0.304 267 T C 0.172 174.872 174.700 -0.000 0.000 1.038 267 T CA 0.341 62.379 62.100 -0.103 0.000 1.007 267 T CB 2.495 71.220 68.868 -0.238 0.000 1.055 267 T HN 0.850 nan 8.240 nan 0.000 0.451 268 G N 0.880 109.730 108.800 0.083 0.000 2.489 268 G HA2 0.701 4.661 3.960 -0.000 0.000 0.305 268 G HA3 0.701 4.661 3.960 -0.000 0.000 0.305 268 G C -0.843 174.205 174.900 0.247 0.000 1.311 268 G CA -0.108 45.087 45.100 0.158 0.000 0.813 268 G HN 1.926 nan 8.290 nan 0.000 0.480 269 C N -1.413 117.990 119.300 0.171 0.000 3.307 269 C HA 0.810 5.270 4.460 -0.000 0.000 0.333 269 C C -1.560 173.484 174.990 0.091 0.000 1.291 269 C CA -0.973 58.143 59.018 0.162 0.000 1.273 269 C CB 0.723 28.554 27.740 0.151 0.000 1.580 269 C HN 1.324 nan 8.230 nan 0.000 0.481 270 L N 2.316 123.593 121.223 0.090 0.000 2.307 270 L HA 0.813 5.153 4.340 -0.000 0.000 0.284 270 L C -0.853 176.045 176.870 0.047 0.000 1.023 270 L CA -0.622 54.260 54.840 0.069 0.000 0.810 270 L CB 1.187 43.294 42.059 0.080 0.000 1.231 270 L HN 0.821 nan 8.230 nan 0.000 0.423 271 L N 5.504 126.746 121.223 0.032 0.000 2.296 271 L HA 0.771 5.111 4.340 -0.000 0.000 0.286 271 L C -0.173 176.712 176.870 0.025 0.000 1.023 271 L CA -0.691 54.160 54.840 0.018 0.000 0.812 271 L CB 1.712 43.772 42.059 0.001 0.000 1.223 271 L HN 0.798 nan 8.230 nan 0.000 0.421 272 A N 5.812 128.647 122.820 0.024 0.000 2.328 272 A HA 0.630 4.949 4.320 -0.000 0.000 0.318 272 A C -0.521 177.074 177.584 0.019 0.000 1.347 272 A CA -0.486 51.566 52.037 0.026 0.000 0.842 272 A CB 0.348 19.367 19.000 0.030 0.000 1.148 272 A HN 0.647 nan 8.150 nan 0.000 0.499 273 L N 2.315 123.549 121.223 0.017 0.000 2.265 273 L HA 0.383 4.723 4.340 -0.000 0.000 0.288 273 L C -0.413 176.465 176.870 0.014 0.000 1.058 273 L CA -0.422 54.425 54.840 0.012 0.000 0.809 273 L CB 0.588 42.653 42.059 0.010 0.000 1.179 273 L HN 0.645 nan 8.230 nan 0.000 0.429 274 C N 1.308 120.615 119.300 0.011 0.000 2.562 274 C HA 0.558 5.018 4.460 -0.000 0.000 0.332 274 C C 1.587 176.582 174.990 0.008 0.000 1.201 274 C CA -0.633 58.392 59.018 0.011 0.000 1.803 274 C CB 1.498 29.244 27.740 0.010 0.000 2.328 274 C HN 0.945 nan 8.230 nan 0.000 0.500 275 A N 0.465 123.290 122.820 0.008 0.000 2.121 275 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 275 A C 0.309 177.896 177.584 0.005 0.000 1.154 275 A CA 1.643 53.684 52.037 0.007 0.000 0.679 275 A CB -0.563 18.441 19.000 0.007 0.000 0.795 275 A HN 1.031 nan 8.150 nan 0.000 0.458 276 D N -5.183 115.220 120.400 0.005 0.000 2.653 276 D HA 0.483 5.123 4.640 -0.000 0.000 0.258 276 D C 0.294 176.596 176.300 0.004 0.000 1.252 276 D CA -0.049 53.953 54.000 0.004 0.000 0.777 276 D CB 0.744 41.546 40.800 0.003 0.000 1.339 276 D HN -0.002 nan 8.370 nan 0.000 0.422 277 A N 0.392 123.214 122.820 0.004 0.000 2.019 277 A HA 0.164 4.484 4.320 -0.000 0.000 0.219 277 A C 2.084 179.670 177.584 0.003 0.000 1.164 277 A CA 2.286 54.325 52.037 0.004 0.000 0.644 277 A CB -1.113 17.889 19.000 0.004 0.000 0.805 277 A HN 0.760 nan 8.150 nan 0.000 0.449 278 A N -0.787 122.034 122.820 0.002 0.000 1.858 278 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 278 A C 2.306 179.889 177.584 -0.001 0.000 1.190 278 A CA 2.256 54.293 52.037 -0.000 0.000 0.617 278 A CB -1.282 17.717 19.000 -0.001 0.000 0.827 278 A HN 0.421 nan 8.150 nan 0.000 0.443 279 T N -0.572 113.982 114.554 0.001 0.000 2.867 279 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 279 T C 2.065 176.767 174.700 0.004 0.000 1.057 279 T CA 1.133 63.233 62.100 0.001 0.000 1.136 279 T CB -0.246 68.624 68.868 0.003 0.000 0.874 279 T HN 0.420 nan 8.240 nan 0.000 0.466 280 R N 1.320 121.824 120.500 0.006 0.000 2.081 280 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 280 R C 1.906 178.212 176.300 0.009 0.000 1.131 280 R CA 1.383 57.488 56.100 0.009 0.000 0.960 280 R CB -0.251 30.054 30.300 0.008 0.000 0.856 280 R HN 0.299 nan 8.270 nan 0.000 0.436 281 E N 0.864 121.067 120.200 0.006 0.000 2.204 281 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 281 E C 2.128 178.729 176.600 0.002 0.000 0.989 281 E CA 0.566 56.970 56.400 0.006 0.000 0.824 281 E CB -0.226 29.476 29.700 0.003 0.000 0.756 281 E HN 0.381 nan 8.360 nan 0.000 0.477 282 L N 0.271 121.492 121.223 -0.002 0.000 1.988 282 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 282 L C 2.467 179.335 176.870 -0.003 0.000 1.071 282 L CA 1.247 56.081 54.840 -0.010 0.000 0.744 282 L CB -0.488 41.564 42.059 -0.012 0.000 0.893 282 L HN 0.078 nan 8.230 nan 0.000 0.433 283 A N -0.650 122.175 122.820 0.007 0.000 1.883 283 A HA -0.314 4.006 4.320 -0.000 0.000 0.217 283 A C 2.135 179.736 177.584 0.028 0.000 1.186 283 A CA 2.011 54.059 52.037 0.018 0.000 0.624 283 A CB -0.655 18.358 19.000 0.021 0.000 0.822 283 A HN 0.434 nan 8.150 nan 0.000 0.444 284 Q N -0.093 119.723 119.800 0.026 0.000 2.096 284 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 284 Q C 1.941 177.964 176.000 0.039 0.000 0.982 284 Q CA 2.323 58.146 55.803 0.034 0.000 0.850 284 Q CB -1.036 27.719 28.738 0.029 0.000 0.901 284 Q HN 0.522 nan 8.270 nan 0.000 0.422 285 G N -0.414 108.402 108.800 0.026 0.000 2.402 285 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 285 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 285 G C 1.453 176.383 174.900 0.051 0.000 1.162 285 G CA 0.873 45.989 45.100 0.027 0.000 0.777 285 G HN 0.523 nan 8.290 nan 0.000 0.539 286 A N 0.277 123.117 122.820 0.033 0.000 1.969 286 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 286 A C 2.424 180.093 177.584 0.141 0.000 1.169 286 A CA 1.550 53.627 52.037 0.066 0.000 0.635 286 A CB -0.284 18.727 19.000 0.018 0.000 0.810 286 A HN 0.388 nan 8.150 nan 0.000 0.445 287 M N -0.641 119.013 119.600 0.090 0.000 2.099 287 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 287 M C 2.573 178.913 176.300 0.067 0.000 1.067 287 M CA 1.395 56.741 55.300 0.078 0.000 1.124 287 M CB -0.367 32.271 32.600 0.064 0.000 1.353 287 M HN 0.455 nan 8.290 nan 0.000 0.410 288 A N 0.262 123.124 122.820 0.070 0.000 1.883 288 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 288 A C 2.024 179.616 177.584 0.012 0.000 1.186 288 A CA 1.690 53.750 52.037 0.038 0.000 0.624 288 A CB -1.216 17.812 19.000 0.046 0.000 0.822 288 A HN 0.556 nan 8.150 nan 0.000 0.444 289 F N 0.242 120.147 119.950 -0.075 0.000 2.120 289 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 289 F C 1.759 177.488 175.800 -0.117 0.000 1.095 289 F CA 1.742 59.687 58.000 -0.091 0.000 1.249 289 F CB -0.261 38.701 39.000 -0.064 0.000 0.995 289 F HN 0.151 nan 8.300 nan 0.000 0.480 290 L N 0.786 121.959 121.223 -0.082 0.000 2.083 290 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 290 L C 2.120 178.777 176.870 -0.356 0.000 1.083 290 L CA 1.528 56.247 54.840 -0.201 0.000 0.752 290 L CB -1.594 40.447 42.059 -0.030 0.000 0.899 290 L HN 0.187 nan 8.230 nan 0.000 0.433 291 N N -0.863 117.645 118.700 -0.321 0.000 2.135 291 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 291 N C 1.971 177.143 175.510 -0.565 0.000 1.027 291 N CA 0.772 53.522 53.050 -0.501 0.000 0.849 291 N CB -0.172 38.196 38.487 -0.198 0.000 1.002 291 N HN 0.201 nan 8.380 nan 0.000 0.425 292 R N 0.615 120.854 120.500 -0.435 0.000 2.094 292 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 292 R C 1.263 177.300 176.300 -0.438 0.000 1.137 292 R CA 1.613 57.453 56.100 -0.434 0.000 0.943 292 R CB -0.060 30.017 30.300 -0.372 0.000 0.850 292 R HN 0.130 nan 8.270 nan 0.000 0.433 293 Q N -0.883 118.591 119.800 -0.542 0.000 2.515 293 Q HA -0.006 4.334 4.340 -0.000 0.000 0.212 293 Q C 1.161 176.946 176.000 -0.358 0.000 0.970 293 Q CA 1.218 56.738 55.803 -0.472 0.000 0.941 293 Q CB 0.482 28.824 28.738 -0.659 0.000 0.998 293 Q HN 0.371 nan 8.270 nan 0.000 0.518 294 T N -1.583 112.705 114.554 -0.443 0.000 3.071 294 T HA 0.049 4.399 4.350 -0.000 0.000 0.239 294 T C 0.032 174.579 174.700 -0.254 0.000 0.997 294 T CA 0.734 62.596 62.100 -0.396 0.000 1.134 294 T CB 0.198 68.715 68.868 -0.586 0.000 0.928 294 T HN 0.391 nan 8.240 nan 0.000 0.453 295 Y N -0.821 119.433 120.300 -0.078 0.000 2.954 295 Y HA 0.687 5.237 4.550 -0.000 0.000 0.267 295 Y C 0.766 176.630 175.900 -0.060 0.000 1.093 295 Y CA -0.468 57.608 58.100 -0.041 0.000 1.257 295 Y CB -0.401 38.058 38.460 -0.002 0.000 1.317 295 Y HN 0.108 nan 8.280 nan 0.000 0.587 296 S N 0.335 115.972 115.700 -0.106 0.000 4.155 296 S HA -0.278 4.192 4.470 -0.000 0.000 0.604 296 S C -0.141 174.327 174.600 -0.220 0.000 1.871 296 S CA 1.483 59.529 58.200 -0.258 0.000 4.248 296 S CB -1.607 61.501 63.200 -0.153 0.000 0.206 296 S HN 0.426 nan 8.310 nan 0.000 0.460 297 F N 4.989 125.030 119.950 0.153 0.000 2.377 297 F HA 0.589 5.116 4.527 -0.000 0.000 0.328 297 F C -1.522 174.419 175.800 0.235 0.000 1.094 297 F CA -1.323 56.785 58.000 0.180 0.000 1.093 297 F CB 0.571 39.654 39.000 0.138 0.000 1.214 297 F HN 0.272 nan 8.300 nan 0.000 0.518 298 P HA 0.194 nan 4.420 nan 0.000 0.279 298 P C -2.674 174.673 177.300 0.079 0.000 1.252 298 P CA -1.683 61.496 63.100 0.133 0.000 0.811 298 P CB 0.356 32.152 31.700 0.160 0.000 1.035 299 P HA 0.044 nan 4.420 nan 0.000 0.267 299 P C 0.277 177.582 177.300 0.008 0.000 1.209 299 P CA 0.014 63.110 63.100 -0.006 0.000 0.763 299 P CB 0.444 32.102 31.700 -0.069 0.000 0.816 300 F N 3.615 123.517 119.950 -0.080 0.000 2.187 300 F HA -0.109 4.418 4.527 -0.000 0.000 0.295 300 F C 2.532 178.260 175.800 -0.120 0.000 1.091 300 F CA 1.261 59.196 58.000 -0.109 0.000 1.308 300 F CB -0.523 38.435 39.000 -0.069 0.000 1.030 300 F HN 0.385 nan 8.300 nan 0.000 0.487 301 H N -0.074 118.975 119.070 -0.035 0.000 2.265 301 H HA -0.142 4.414 4.556 -0.000 0.000 0.293 301 H C 2.455 177.596 175.328 -0.311 0.000 1.089 301 H CA 2.284 58.242 56.048 -0.150 0.000 1.244 301 H CB -0.943 28.799 29.762 -0.034 0.000 1.355 301 H HN 0.349 nan 8.280 nan 0.000 0.485 302 G N -0.546 108.086 108.800 -0.279 0.000 2.418 302 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 302 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 302 G C 1.893 176.465 174.900 -0.548 0.000 1.158 302 G CA 0.938 45.817 45.100 -0.368 0.000 0.771 302 G HN 0.627 nan 8.290 nan 0.000 0.545 303 A N 0.516 122.913 122.820 -0.706 0.000 1.972 303 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 303 A C 2.198 179.321 177.584 -0.769 0.000 1.169 303 A CA 2.269 53.665 52.037 -1.069 0.000 0.635 303 A CB -0.300 17.799 19.000 -1.500 0.000 0.810 303 A HN 0.345 nan 8.150 nan 0.000 0.446 304 K N 0.288 120.175 120.400 -0.856 0.000 2.103 304 K HA 0.060 4.380 4.320 -0.000 0.000 0.204 304 K C 1.533 177.832 176.600 -0.501 0.000 1.052 304 K CA 1.283 57.115 56.287 -0.757 0.000 0.945 304 K CB -0.503 31.377 32.500 -1.033 0.000 0.722 304 K HN 0.505 nan 8.250 nan 0.000 0.443 305 I N -0.226 120.020 120.570 -0.539 0.000 2.179 305 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 305 I C 1.968 177.837 176.117 -0.413 0.000 1.088 305 I CA 0.855 61.900 61.300 -0.424 0.000 1.357 305 I CB -0.214 37.537 38.000 -0.416 0.000 1.051 305 I HN -0.083 nan 8.210 nan 0.000 0.409 306 V N 1.005 120.592 119.914 -0.545 0.000 2.255 306 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 306 V C 2.675 178.540 176.094 -0.382 0.000 1.051 306 V CA 2.414 64.271 62.300 -0.739 0.000 1.018 306 V CB -0.936 30.463 31.823 -0.706 0.000 0.641 306 V HN 0.622 nan 8.190 nan 0.000 0.445 307 S N -0.729 114.860 115.700 -0.184 0.000 2.382 307 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 307 S C 1.925 176.458 174.600 -0.112 0.000 1.027 307 S CA 1.894 60.035 58.200 -0.099 0.000 0.991 307 S CB -0.840 62.345 63.200 -0.025 0.000 0.823 307 S HN 0.580 nan 8.310 nan 0.000 0.469 308 T N 2.486 116.952 114.554 -0.146 0.000 2.674 308 T HA -0.047 4.303 4.350 -0.000 0.000 0.265 308 T C 1.930 176.587 174.700 -0.072 0.000 1.039 308 T CA 1.584 63.622 62.100 -0.103 0.000 1.150 308 T CB -0.688 68.106 68.868 -0.123 0.000 0.864 308 T HN 0.294 nan 8.240 nan 0.000 0.427 309 V N 1.402 121.260 119.914 -0.094 0.000 2.287 309 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 309 V C 2.465 178.557 176.094 -0.004 0.000 1.053 309 V CA 1.337 63.616 62.300 -0.035 0.000 1.027 309 V CB -0.635 31.165 31.823 -0.038 0.000 0.646 309 V HN 0.314 nan 8.190 nan 0.000 0.447 310 L N 0.805 122.002 121.223 -0.044 0.000 2.201 310 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 310 L C 2.478 179.355 176.870 0.012 0.000 1.105 310 L CA 2.509 57.347 54.840 -0.002 0.000 0.775 310 L CB -1.367 40.669 42.059 -0.040 0.000 0.913 310 L HN 0.670 nan 8.230 nan 0.000 0.440 311 T N -6.325 108.224 114.554 -0.008 0.000 3.086 311 T HA 0.086 4.436 4.350 -0.000 0.000 0.250 311 T C 0.711 175.416 174.700 0.009 0.000 1.074 311 T CA -0.021 62.079 62.100 0.000 0.000 0.988 311 T CB -0.310 68.552 68.868 -0.010 0.000 0.988 311 T HN 0.102 nan 8.240 nan 0.000 0.530 312 T N 3.911 118.474 114.554 0.016 0.000 2.947 312 T HA 0.349 4.699 4.350 -0.000 0.000 0.337 312 T C -1.978 172.745 174.700 0.039 0.000 1.139 312 T CA -1.262 60.851 62.100 0.022 0.000 0.992 312 T CB 1.471 70.349 68.868 0.017 0.000 1.043 312 T HN -0.050 nan 8.240 nan 0.000 0.498 313 P HA -0.246 nan 4.420 nan 0.000 0.219 313 P C 1.460 178.789 177.300 0.048 0.000 1.158 313 P CA 1.198 64.323 63.100 0.042 0.000 0.895 313 P CB 0.382 32.099 31.700 0.028 0.000 0.792 314 E N -1.248 118.977 120.200 0.041 0.000 2.072 314 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 314 E C 1.788 178.425 176.600 0.062 0.000 0.985 314 E CA 0.863 57.288 56.400 0.043 0.000 0.801 314 E CB -0.383 29.337 29.700 0.035 0.000 0.750 314 E HN -0.001 nan 8.360 nan 0.000 0.452 315 L N 1.037 122.301 121.223 0.069 0.000 2.005 315 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 315 L C 2.536 179.499 176.870 0.155 0.000 1.072 315 L CA 1.606 56.503 54.840 0.095 0.000 0.744 315 L CB -0.874 41.226 42.059 0.068 0.000 0.895 315 L HN 0.086 nan 8.230 nan 0.000 0.433 316 R N -0.598 119.996 120.500 0.155 0.000 2.103 316 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 316 R C 2.157 178.591 176.300 0.222 0.000 1.142 316 R CA 1.638 57.888 56.100 0.251 0.000 0.960 316 R CB -0.261 30.148 30.300 0.183 0.000 0.858 316 R HN 0.388 nan 8.270 nan 0.000 0.439 317 A N 0.658 123.548 122.820 0.116 0.000 1.883 317 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 317 A C 1.836 179.442 177.584 0.035 0.000 1.186 317 A CA 2.039 54.108 52.037 0.054 0.000 0.624 317 A CB -0.683 18.337 19.000 0.034 0.000 0.822 317 A HN 0.501 nan 8.150 nan 0.000 0.444 318 D N -2.079 118.364 120.400 0.071 0.000 2.183 318 D HA -0.148 4.492 4.640 -0.000 0.000 0.203 318 D C 1.591 177.928 176.300 0.063 0.000 0.969 318 D CA 1.233 55.265 54.000 0.054 0.000 0.842 318 D CB -0.284 40.559 40.800 0.072 0.000 0.957 318 D HN 0.618 nan 8.370 nan 0.000 0.484 319 W N 0.785 122.050 121.300 -0.058 0.000 2.379 319 W HA -0.068 4.592 4.660 -0.000 0.000 0.307 319 W C 2.068 178.489 176.519 -0.163 0.000 1.200 319 W CA 1.351 58.630 57.345 -0.111 0.000 1.297 319 W CB -0.458 28.934 29.460 -0.115 0.000 1.140 319 W HN -0.092 nan 8.180 nan 0.000 0.507 320 M N 0.566 119.904 119.600 -0.436 0.000 2.108 320 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 320 M C 2.340 178.358 176.300 -0.470 0.000 1.066 320 M CA 2.120 57.024 55.300 -0.660 0.000 1.107 320 M CB -1.014 31.381 32.600 -0.340 0.000 1.356 320 M HN 0.167 nan 8.290 nan 0.000 0.406 321 A N 0.023 122.681 122.820 -0.271 0.000 1.873 321 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 321 A C 1.981 179.432 177.584 -0.221 0.000 1.186 321 A CA 1.972 53.889 52.037 -0.200 0.000 0.616 321 A CB -0.767 18.167 19.000 -0.110 0.000 0.823 321 A HN 0.561 nan 8.150 nan 0.000 0.442 322 E N -0.732 119.340 120.200 -0.214 0.000 2.077 322 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 322 E C 1.882 178.295 176.600 -0.311 0.000 0.989 322 E CA 1.221 57.508 56.400 -0.188 0.000 0.800 322 E CB -0.179 29.468 29.700 -0.088 0.000 0.746 322 E HN 0.413 nan 8.360 nan 0.000 0.452 323 L N 1.445 122.366 121.223 -0.505 0.000 2.046 323 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 323 L C 2.219 178.767 176.870 -0.537 0.000 1.077 323 L CA 2.060 56.514 54.840 -0.643 0.000 0.747 323 L CB -0.537 40.944 42.059 -0.964 0.000 0.896 323 L HN 0.135 nan 8.230 nan 0.000 0.432 324 E N -0.170 119.765 120.200 -0.441 0.000 2.058 324 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 324 E C 2.122 178.574 176.600 -0.246 0.000 0.997 324 E CA 1.685 57.894 56.400 -0.319 0.000 0.801 324 E CB -0.411 29.135 29.700 -0.256 0.000 0.746 324 E HN 0.525 nan 8.360 nan 0.000 0.450 325 A N 0.058 122.747 122.820 -0.218 0.000 1.883 325 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 325 A C 2.543 180.029 177.584 -0.163 0.000 1.186 325 A CA 1.845 53.791 52.037 -0.151 0.000 0.624 325 A CB -0.941 17.991 19.000 -0.114 0.000 0.822 325 A HN 0.205 nan 8.150 nan 0.000 0.444 326 V N 0.048 119.805 119.914 -0.262 0.000 2.287 326 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 326 V C 2.631 178.581 176.094 -0.240 0.000 1.053 326 V CA 2.428 64.516 62.300 -0.354 0.000 1.027 326 V CB -0.877 30.554 31.823 -0.653 0.000 0.646 326 V HN 0.665 nan 8.190 nan 0.000 0.447 327 R N 0.794 121.124 120.500 -0.284 0.000 2.103 327 R HA -0.216 4.124 4.340 -0.000 0.000 0.234 327 R C 2.606 178.850 176.300 -0.094 0.000 1.132 327 R CA 2.410 58.394 56.100 -0.193 0.000 0.925 327 R CB -0.483 29.668 30.300 -0.249 0.000 0.842 327 R HN 0.684 nan 8.270 nan 0.000 0.430 328 S N -0.629 115.012 115.700 -0.099 0.000 2.399 328 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 328 S C 2.092 176.676 174.600 -0.027 0.000 1.022 328 S CA 0.890 59.055 58.200 -0.057 0.000 0.983 328 S CB -0.695 62.467 63.200 -0.064 0.000 0.803 328 S HN 0.585 nan 8.310 nan 0.000 0.480 329 G N 2.120 110.907 108.800 -0.022 0.000 2.433 329 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 329 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 329 G C 1.505 176.432 174.900 0.045 0.000 1.186 329 G CA 1.079 46.193 45.100 0.022 0.000 0.779 329 G HN 0.479 nan 8.290 nan 0.000 0.543 330 M N -0.348 119.290 119.600 0.063 0.000 2.149 330 M HA 0.001 4.481 4.480 -0.000 0.000 0.261 330 M C 2.575 178.898 176.300 0.039 0.000 1.064 330 M CA 0.926 56.272 55.300 0.076 0.000 1.102 330 M CB -0.421 32.240 32.600 0.102 0.000 1.369 330 M HN 0.204 nan 8.290 nan 0.000 0.408 331 L N 0.175 121.411 121.223 0.022 0.000 2.042 331 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 331 L C 2.582 179.457 176.870 0.007 0.000 1.076 331 L CA 1.820 56.668 54.840 0.013 0.000 0.749 331 L CB -0.321 41.739 42.059 0.001 0.000 0.893 331 L HN 0.151 nan 8.230 nan 0.000 0.432 332 R N -1.077 119.426 120.500 0.006 0.000 2.075 332 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 332 R C 2.230 178.531 176.300 0.001 0.000 1.126 332 R CA 1.446 57.547 56.100 0.002 0.000 0.963 332 R CB -0.371 29.931 30.300 0.003 0.000 0.858 332 R HN 0.316 nan 8.270 nan 0.000 0.435 333 L N 0.297 121.525 121.223 0.010 0.000 2.042 333 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 333 L C 2.472 179.336 176.870 -0.010 0.000 1.076 333 L CA 1.526 56.368 54.840 0.003 0.000 0.749 333 L CB -0.451 41.617 42.059 0.016 0.000 0.893 333 L HN 0.225 nan 8.230 nan 0.000 0.432 334 R N 0.139 120.636 120.500 -0.005 0.000 2.091 334 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 334 R C 2.104 178.384 176.300 -0.035 0.000 1.136 334 R CA 1.547 57.637 56.100 -0.017 0.000 0.959 334 R CB -0.439 29.863 30.300 0.003 0.000 0.856 334 R HN 0.503 nan 8.270 nan 0.000 0.437 335 E N 0.906 121.092 120.200 -0.023 0.000 2.110 335 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 335 E C 2.183 178.764 176.600 -0.031 0.000 0.988 335 E CA 1.049 57.434 56.400 -0.026 0.000 0.804 335 E CB -0.027 29.663 29.700 -0.016 0.000 0.745 335 E HN 0.418 nan 8.360 nan 0.000 0.458 336 Q N 0.532 120.316 119.800 -0.027 0.000 2.084 336 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 336 Q C 2.402 178.375 176.000 -0.044 0.000 0.978 336 Q CA 0.844 56.630 55.803 -0.029 0.000 0.844 336 Q CB -0.091 28.634 28.738 -0.023 0.000 0.898 336 Q HN 0.332 nan 8.270 nan 0.000 0.426 337 L N 0.162 121.350 121.223 -0.057 0.000 1.970 337 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 337 L C 2.376 179.188 176.870 -0.098 0.000 1.071 337 L CA 1.473 56.261 54.840 -0.088 0.000 0.751 337 L CB -0.567 41.431 42.059 -0.102 0.000 0.889 337 L HN 0.248 nan 8.230 nan 0.000 0.432 338 A N -0.243 122.521 122.820 -0.094 0.000 1.883 338 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 338 A C 2.264 179.827 177.584 -0.035 0.000 1.186 338 A CA 1.887 53.877 52.037 -0.078 0.000 0.624 338 A CB -1.385 17.564 19.000 -0.084 0.000 0.822 338 A HN 0.553 nan 8.150 nan 0.000 0.444 339 G N -0.575 108.205 108.800 -0.034 0.000 2.511 339 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 339 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 339 G C 1.438 176.329 174.900 -0.015 0.000 1.218 339 G CA 1.369 46.458 45.100 -0.019 0.000 0.788 339 G HN 0.550 nan 8.290 nan 0.000 0.560 340 E N 0.297 120.481 120.200 -0.027 0.000 2.097 340 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 340 E C 2.501 179.089 176.600 -0.021 0.000 1.000 340 E CA 0.890 57.274 56.400 -0.028 0.000 0.804 340 E CB -0.466 29.208 29.700 -0.043 0.000 0.740 340 E HN 0.450 nan 8.360 nan 0.000 0.454 341 L N -0.359 120.848 121.223 -0.028 0.000 2.141 341 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 341 L C 2.696 179.628 176.870 0.104 0.000 1.094 341 L CA 1.150 55.996 54.840 0.011 0.000 0.763 341 L CB -0.210 41.824 42.059 -0.042 0.000 0.908 341 L HN 0.108 nan 8.230 nan 0.000 0.437 342 R N -0.161 120.380 120.500 0.068 0.000 2.153 342 R HA -0.128 4.212 4.340 -0.000 0.000 0.218 342 R C 1.502 177.824 176.300 0.036 0.000 1.072 342 R CA 1.037 57.171 56.100 0.057 0.000 0.990 342 R CB 0.066 30.381 30.300 0.026 0.000 0.889 342 R HN 0.257 nan 8.270 nan 0.000 0.452 343 D N 0.316 120.730 120.400 0.023 0.000 2.310 343 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 343 D C 0.824 177.138 176.300 0.022 0.000 0.965 343 D CA 0.914 54.923 54.000 0.015 0.000 0.879 343 D CB 0.221 41.024 40.800 0.005 0.000 0.921 343 D HN 0.298 nan 8.370 nan 0.000 0.510 344 L N -0.164 121.081 121.223 0.036 0.000 2.872 344 L HA 0.204 4.544 4.340 -0.000 0.000 0.245 344 L C 0.940 177.852 176.870 0.070 0.000 1.211 344 L CA -0.026 54.841 54.840 0.045 0.000 1.013 344 L CB 0.073 42.153 42.059 0.036 0.000 1.326 344 L HN -0.019 nan 8.230 nan 0.000 0.525 345 S N -3.699 112.037 115.700 0.059 0.000 2.323 345 S HA 0.105 4.575 4.470 -0.000 0.000 0.233 345 S C 1.295 175.906 174.600 0.018 0.000 0.898 345 S CA 0.487 58.716 58.200 0.049 0.000 1.321 345 S CB 0.440 63.685 63.200 0.075 0.000 0.921 345 S HN 0.280 nan 8.310 nan 0.000 0.398 346 G N 1.849 110.659 108.800 0.017 0.000 2.184 346 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.264 346 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.264 346 G C 0.160 175.052 174.900 -0.013 0.000 0.975 346 G CA 0.652 45.754 45.100 0.002 0.000 0.642 346 G HN 1.796 nan 8.290 nan 0.000 0.536 347 S N -0.623 115.061 115.700 -0.026 0.000 2.654 347 S HA 0.625 5.095 4.470 -0.000 0.000 0.283 347 S C -0.064 174.493 174.600 -0.071 0.000 1.180 347 S CA -0.076 58.087 58.200 -0.061 0.000 1.021 347 S CB 1.931 65.070 63.200 -0.102 0.000 1.018 347 S HN 0.033 nan 8.310 nan 0.000 0.532 348 D N 0.114 120.468 120.400 -0.076 0.000 2.460 348 D HA 0.214 4.854 4.640 -0.000 0.000 0.229 348 D C 1.466 177.707 176.300 -0.098 0.000 1.170 348 D CA -0.171 53.791 54.000 -0.064 0.000 0.827 348 D CB 0.088 40.864 40.800 -0.040 0.000 0.973 348 D HN 0.426 nan 8.370 nan 0.000 0.496 349 R N -0.003 120.368 120.500 -0.216 0.000 2.073 349 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 349 R C 0.646 176.809 176.300 -0.229 0.000 1.134 349 R CA 0.954 56.858 56.100 -0.328 0.000 0.952 349 R CB -0.231 29.676 30.300 -0.655 0.000 0.850 349 R HN 0.237 nan 8.270 nan 0.000 0.433 350 F N 0.192 120.138 119.950 -0.007 0.000 2.693 350 F HA 0.222 4.749 4.527 -0.000 0.000 0.303 350 F C 1.959 177.472 175.800 -0.478 0.000 1.143 350 F CA -0.201 57.627 58.000 -0.286 0.000 1.389 350 F CB -0.454 38.384 39.000 -0.269 0.000 1.060 350 F HN 0.079 nan 8.300 nan 0.000 0.535 351 G N 0.797 109.541 108.800 -0.093 0.000 2.448 351 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 351 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 351 G C 1.627 176.441 174.900 -0.143 0.000 1.127 351 G CA 0.895 45.939 45.100 -0.094 0.000 0.766 351 G HN 0.499 nan 8.290 nan 0.000 0.552 352 F N 1.061 120.966 119.950 -0.075 0.000 2.236 352 F HA -0.083 4.444 4.527 -0.000 0.000 0.302 352 F C 2.194 177.784 175.800 -0.350 0.000 1.073 352 F CA 0.763 58.625 58.000 -0.229 0.000 1.336 352 F CB -0.950 37.889 39.000 -0.268 0.000 1.040 352 F HN -0.001 nan 8.300 nan 0.000 0.507 353 V N 1.274 120.720 119.914 -0.781 0.000 2.392 353 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 353 V C 2.913 178.918 176.094 -0.148 0.000 1.059 353 V CA 1.918 63.961 62.300 -0.429 0.000 1.051 353 V CB -1.486 30.078 31.823 -0.431 0.000 0.658 353 V HN 0.607 nan 8.190 nan 0.000 0.455 354 A N -0.577 122.164 122.820 -0.132 0.000 1.968 354 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 354 A C 2.117 179.709 177.584 0.013 0.000 1.169 354 A CA 1.438 53.449 52.037 -0.043 0.000 0.638 354 A CB -0.351 18.623 19.000 -0.044 0.000 0.812 354 A HN 0.505 nan 8.150 nan 0.000 0.446 355 E N 0.103 120.313 120.200 0.017 0.000 2.072 355 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 355 E C 0.361 177.080 176.600 0.198 0.000 0.982 355 E CA 0.446 56.897 56.400 0.086 0.000 0.803 355 E CB -0.424 29.328 29.700 0.087 0.000 0.755 355 E HN 0.780 nan 8.360 nan 0.000 0.453 356 H N 0.146 119.309 119.070 0.154 0.000 2.972 356 H HA 0.111 4.667 4.556 -0.000 0.000 0.343 356 H C 0.116 175.512 175.328 0.114 0.000 1.054 356 H CA -0.178 55.972 56.048 0.169 0.000 1.412 356 H CB 0.555 30.452 29.762 0.224 0.000 1.385 356 H HN -0.189 nan 8.280 nan 0.000 0.600 357 R N 1.437 122.071 120.500 0.223 0.000 2.534 357 R HA 0.475 4.815 4.340 -0.000 0.000 0.301 357 R C -0.429 175.923 176.300 0.086 0.000 0.961 357 R CA 0.355 56.538 56.100 0.138 0.000 0.871 357 R CB 1.513 31.893 30.300 0.134 0.000 1.170 357 R HN 0.966 nan 8.270 nan 0.000 0.446 358 G N 2.094 110.914 108.800 0.033 0.000 2.280 358 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.277 358 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.277 358 G C 0.107 174.876 174.900 -0.219 0.000 1.288 358 G CA -0.169 44.875 45.100 -0.093 0.000 1.075 358 G HN 0.451 nan 8.290 nan 0.000 0.480 359 M N -0.456 118.787 119.600 -0.595 0.000 2.435 359 M HA 0.315 4.795 4.480 -0.000 0.000 0.265 359 M C 0.194 176.036 176.300 -0.762 0.000 1.104 359 M CA 1.052 55.889 55.300 -0.772 0.000 1.140 359 M CB -0.043 31.796 32.600 -1.270 0.000 1.372 359 M HN 0.275 nan 8.290 nan 0.000 0.456 360 F N -0.855 119.006 119.950 -0.149 0.000 2.497 360 F HA 0.528 5.055 4.527 -0.000 0.000 0.331 360 F C 0.269 176.071 175.800 0.003 0.000 1.060 360 F CA -1.184 56.775 58.000 -0.069 0.000 0.989 360 F CB 1.498 40.437 39.000 -0.101 0.000 1.245 360 F HN -0.318 nan 8.300 nan 0.000 0.486 361 S N 0.840 116.710 115.700 0.284 0.000 2.592 361 S HA 0.437 4.907 4.470 -0.000 0.000 0.275 361 S C -1.348 173.419 174.600 0.278 0.000 1.169 361 S CA -0.810 57.596 58.200 0.344 0.000 0.958 361 S CB 0.870 64.340 63.200 0.449 0.000 1.095 361 S HN 0.558 nan 8.310 nan 0.000 0.471 362 R N 4.113 124.741 120.500 0.213 0.000 2.207 362 R HA 0.425 4.765 4.340 -0.000 0.000 0.334 362 R C -0.295 176.159 176.300 0.258 0.000 1.013 362 R CA -0.384 55.769 56.100 0.088 0.000 0.858 362 R CB 0.621 30.758 30.300 -0.271 0.000 1.094 362 R HN 0.603 nan 8.270 nan 0.000 0.457 363 L N 0.559 121.938 121.223 0.259 0.000 2.456 363 L HA 0.253 4.593 4.340 -0.000 0.000 0.257 363 L C 1.784 178.772 176.870 0.198 0.000 1.162 363 L CA -0.254 54.790 54.840 0.340 0.000 0.808 363 L CB 0.600 42.813 42.059 0.256 0.000 1.136 363 L HN 0.716 nan 8.230 nan 0.000 0.466 364 G N 0.523 109.448 108.800 0.208 0.000 3.061 364 G HA2 0.220 4.180 3.960 -0.000 0.000 0.208 364 G HA3 0.220 4.180 3.960 -0.000 0.000 0.208 364 G C 0.627 175.607 174.900 0.133 0.000 1.175 364 G CA 0.167 45.352 45.100 0.143 0.000 0.812 364 G HN 0.696 nan 8.290 nan 0.000 0.523 365 A N 0.808 123.707 122.820 0.131 0.000 2.462 365 A HA 0.537 4.857 4.320 -0.000 0.000 0.243 365 A C 1.048 178.678 177.584 0.077 0.000 1.076 365 A CA 0.437 52.534 52.037 0.099 0.000 0.773 365 A CB 0.149 19.198 19.000 0.082 0.000 1.010 365 A HN 0.510 nan 8.150 nan 0.000 0.493 366 T N 0.060 114.655 114.554 0.069 0.000 2.881 366 T HA 0.533 4.883 4.350 -0.000 0.000 0.278 366 T C -1.536 173.195 174.700 0.052 0.000 0.982 366 T CA -1.255 60.880 62.100 0.057 0.000 0.989 366 T CB 1.142 70.041 68.868 0.053 0.000 1.058 366 T HN 0.431 nan 8.240 nan 0.000 0.529 367 P HA -0.149 nan 4.420 nan 0.000 0.216 367 P C 0.912 178.241 177.300 0.049 0.000 1.150 367 P CA 1.399 64.524 63.100 0.043 0.000 0.843 367 P CB 0.131 31.851 31.700 0.034 0.000 0.787 368 E N 0.468 120.697 120.200 0.048 0.000 2.051 368 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 368 E C 2.455 179.093 176.600 0.063 0.000 0.991 368 E CA 1.257 57.688 56.400 0.052 0.000 0.799 368 E CB -0.936 28.792 29.700 0.046 0.000 0.748 368 E HN 0.399 nan 8.360 nan 0.000 0.449 369 Q N 0.429 120.268 119.800 0.065 0.000 2.061 369 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 369 Q C 2.391 178.437 176.000 0.078 0.000 0.984 369 Q CA 1.591 57.438 55.803 0.074 0.000 0.846 369 Q CB -0.285 28.495 28.738 0.071 0.000 0.902 369 Q HN 0.148 nan 8.270 nan 0.000 0.421 370 V N 1.540 121.495 119.914 0.069 0.000 2.282 370 V HA -0.330 3.790 4.120 -0.000 0.000 0.249 370 V C 2.316 178.464 176.094 0.089 0.000 1.057 370 V CA 2.208 64.550 62.300 0.071 0.000 1.032 370 V CB -0.590 31.271 31.823 0.064 0.000 0.645 370 V HN 0.352 nan 8.190 nan 0.000 0.447 371 K N -0.172 120.281 120.400 0.088 0.000 2.057 371 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 371 K C 2.422 179.085 176.600 0.105 0.000 1.049 371 K CA 1.400 57.745 56.287 0.098 0.000 0.931 371 K CB -0.149 32.397 32.500 0.077 0.000 0.714 371 K HN 0.330 nan 8.250 nan 0.000 0.440 372 R N 0.431 120.995 120.500 0.106 0.000 2.091 372 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 372 R C 2.347 178.774 176.300 0.211 0.000 1.136 372 R CA 1.731 57.907 56.100 0.128 0.000 0.959 372 R CB -0.403 29.979 30.300 0.137 0.000 0.856 372 R HN 0.307 nan 8.270 nan 0.000 0.437 373 I N 1.530 122.229 120.570 0.214 0.000 2.142 373 I HA -0.339 3.831 4.170 -0.000 0.000 0.240 373 I C 2.550 178.768 176.117 0.168 0.000 1.078 373 I CA 1.644 63.096 61.300 0.253 0.000 1.343 373 I CB -0.450 37.589 38.000 0.066 0.000 1.046 373 I HN 0.210 nan 8.210 nan 0.000 0.405 374 K N 1.211 121.659 120.400 0.081 0.000 2.097 374 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 374 K C 1.661 178.251 176.600 -0.017 0.000 1.049 374 K CA 1.615 57.885 56.287 -0.028 0.000 0.933 374 K CB -0.278 32.363 32.500 0.235 0.000 0.717 374 K HN 0.422 nan 8.250 nan 0.000 0.442 375 E N 1.159 121.402 120.200 0.073 0.000 2.042 375 E HA -0.125 4.225 4.350 -0.000 0.000 0.189 375 E C 1.558 178.135 176.600 -0.037 0.000 0.974 375 E CA 1.171 57.600 56.400 0.049 0.000 0.806 375 E CB 0.136 29.872 29.700 0.059 0.000 0.769 375 E HN 0.630 nan 8.360 nan 0.000 0.451 376 E N -0.561 119.587 120.200 -0.087 0.000 2.403 376 E HA 0.019 4.369 4.350 -0.000 0.000 0.188 376 E C 0.245 176.457 176.600 -0.648 0.000 1.056 376 E CA 0.120 56.327 56.400 -0.320 0.000 0.892 376 E CB 0.202 29.679 29.700 -0.372 0.000 1.049 376 E HN 0.172 nan 8.360 nan 0.000 0.465 377 F N -0.632 119.277 119.950 -0.068 0.000 2.975 377 F HA 0.339 4.866 4.527 -0.000 0.000 0.366 377 F C 1.527 177.244 175.800 -0.139 0.000 1.071 377 F CA 0.020 57.969 58.000 -0.085 0.000 1.102 377 F CB 1.354 40.310 39.000 -0.074 0.000 1.176 377 F HN 0.167 nan 8.300 nan 0.000 0.545 378 G N 2.141 110.892 108.800 -0.082 0.000 2.180 378 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 378 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 378 G C 0.302 174.946 174.900 -0.428 0.000 0.989 378 G CA 0.592 45.533 45.100 -0.264 0.000 0.692 378 G HN 0.475 nan 8.290 nan 0.000 0.526 379 I N 0.303 120.674 120.570 -0.330 0.000 2.312 379 I HA 0.614 4.784 4.170 -0.000 0.000 0.290 379 I C -0.522 175.420 176.117 -0.292 0.000 1.008 379 I CA -1.517 59.639 61.300 -0.239 0.000 1.226 379 I CB 0.376 38.328 38.000 -0.081 0.000 1.371 379 I HN 0.020 nan 8.210 nan 0.000 0.468 380 Y N 8.261 128.624 120.300 0.105 0.000 2.425 380 Y HA 0.435 4.985 4.550 -0.000 0.000 0.347 380 Y C 0.387 176.297 175.900 0.016 0.000 0.976 380 Y CA -0.773 57.370 58.100 0.071 0.000 1.190 380 Y CB 0.902 39.428 38.460 0.109 0.000 1.136 380 Y HN 0.543 nan 8.280 nan 0.000 0.517 381 M N 0.329 120.025 119.600 0.160 0.000 2.716 381 M HA 0.772 5.252 4.480 -0.000 0.000 0.307 381 M C -1.135 175.211 176.300 0.077 0.000 1.223 381 M CA -1.339 54.014 55.300 0.088 0.000 0.871 381 M CB 1.419 34.055 32.600 0.060 0.000 1.739 381 M HN 0.087 nan 8.290 nan 0.000 0.475 382 V N 2.186 122.122 119.914 0.036 0.000 2.673 382 V HA 0.067 4.187 4.120 -0.000 0.000 0.303 382 V C 1.653 177.756 176.094 0.016 0.000 1.046 382 V CA 1.081 63.385 62.300 0.007 0.000 1.126 382 V CB 0.799 32.597 31.823 -0.041 0.000 0.934 382 V HN 1.140 nan 8.190 nan 0.000 0.487 383 G N 3.141 111.949 108.800 0.014 0.000 2.621 383 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 383 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 383 G C 0.703 175.612 174.900 0.014 0.000 1.127 383 G CA 0.877 45.989 45.100 0.021 0.000 0.747 383 G HN 0.986 nan 8.290 nan 0.000 0.561 384 D N -2.140 118.259 120.400 -0.002 0.000 2.479 384 D HA 0.181 4.821 4.640 -0.000 0.000 0.218 384 D C 0.940 177.240 176.300 0.001 0.000 1.177 384 D CA 0.279 54.275 54.000 -0.007 0.000 0.830 384 D CB -0.117 40.662 40.800 -0.036 0.000 1.014 384 D HN 0.055 nan 8.370 nan 0.000 0.503 385 S N -0.777 114.935 115.700 0.021 0.000 2.990 385 S HA -0.198 4.272 4.470 -0.000 0.000 0.273 385 S C 0.376 175.004 174.600 0.046 0.000 1.323 385 S CA 0.029 58.255 58.200 0.044 0.000 1.084 385 S CB -1.698 61.543 63.200 0.067 0.000 1.323 385 S HN 0.621 nan 8.310 nan 0.000 0.682 386 R N 1.861 122.368 120.500 0.012 0.000 2.347 386 R HA 0.512 4.852 4.340 -0.000 0.000 0.304 386 R C 0.156 176.503 176.300 0.079 0.000 1.072 386 R CA -0.059 56.052 56.100 0.017 0.000 0.980 386 R CB 0.143 30.386 30.300 -0.096 0.000 0.986 386 R HN 0.606 nan 8.270 nan 0.000 0.448 387 I N 1.127 121.788 120.570 0.151 0.000 2.569 387 I HA 0.408 4.578 4.170 -0.000 0.000 0.296 387 I C -0.819 175.443 176.117 0.241 0.000 1.028 387 I CA -1.210 60.181 61.300 0.151 0.000 1.082 387 I CB 2.074 40.130 38.000 0.094 0.000 1.264 387 I HN 0.408 nan 8.210 nan 0.000 0.429 388 N N 5.671 124.484 118.700 0.189 0.000 2.500 388 N HA 0.288 5.028 4.740 -0.000 0.000 0.236 388 N C 0.848 176.362 175.510 0.006 0.000 1.022 388 N CA -0.729 52.381 53.050 0.100 0.000 0.935 388 N CB 0.857 39.407 38.487 0.106 0.000 1.147 388 N HN 0.878 nan 8.380 nan 0.000 0.512 389 I N 1.204 121.762 120.570 -0.020 0.000 2.399 389 I HA -0.180 3.990 4.170 -0.000 0.000 0.254 389 I C 1.583 177.696 176.117 -0.006 0.000 1.146 389 I CA 1.317 62.613 61.300 -0.007 0.000 1.412 389 I CB -0.319 37.682 38.000 0.001 0.000 1.076 389 I HN 0.366 nan 8.210 nan 0.000 0.432 390 A N 1.690 124.502 122.820 -0.014 0.000 2.125 390 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 390 A C 2.339 179.880 177.584 -0.072 0.000 1.156 390 A CA 1.430 53.466 52.037 -0.002 0.000 0.671 390 A CB -1.302 17.711 19.000 0.023 0.000 0.794 390 A HN 0.586 nan 8.150 nan 0.000 0.459 391 G N -0.898 107.865 108.800 -0.060 0.000 2.464 391 G HA2 0.246 4.206 3.960 -0.000 0.000 0.217 391 G HA3 0.246 4.206 3.960 -0.000 0.000 0.217 391 G C 0.623 175.494 174.900 -0.049 0.000 1.138 391 G CA 0.109 45.168 45.100 -0.069 0.000 0.793 391 G HN 0.295 nan 8.290 nan 0.000 0.539 392 L N 0.783 121.986 121.223 -0.033 0.000 2.475 392 L HA 0.375 4.715 4.340 -0.000 0.000 0.250 392 L C 0.544 177.399 176.870 -0.025 0.000 1.224 392 L CA -0.380 54.443 54.840 -0.028 0.000 0.821 392 L CB 0.414 42.457 42.059 -0.027 0.000 1.141 392 L HN 0.680 nan 8.230 nan 0.000 0.494 393 N N -2.853 115.834 118.700 -0.021 0.000 3.261 393 N HA 0.151 4.891 4.740 -0.000 0.000 0.248 393 N C -0.321 175.180 175.510 -0.014 0.000 1.498 393 N CA -0.619 52.422 53.050 -0.015 0.000 0.884 393 N CB 0.702 39.178 38.487 -0.018 0.000 1.428 393 N HN 0.372 nan 8.380 nan 0.000 0.517 394 D N -0.090 120.304 120.400 -0.009 0.000 2.149 394 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 394 D C 0.740 177.034 176.300 -0.011 0.000 0.990 394 D CA 1.618 55.612 54.000 -0.009 0.000 0.839 394 D CB -0.407 40.391 40.800 -0.004 0.000 0.948 394 D HN 0.483 nan 8.370 nan 0.000 0.460 395 N N -0.321 118.373 118.700 -0.009 0.000 2.250 395 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 395 N C 1.863 177.366 175.510 -0.011 0.000 1.017 395 N CA 1.560 54.605 53.050 -0.008 0.000 0.866 395 N CB 0.129 38.614 38.487 -0.004 0.000 0.985 395 N HN 0.215 nan 8.380 nan 0.000 0.429 396 T N -1.826 112.719 114.554 -0.016 0.000 3.051 396 T HA 0.212 4.562 4.350 -0.000 0.000 0.255 396 T C 1.789 176.467 174.700 -0.037 0.000 1.085 396 T CA -0.000 62.087 62.100 -0.021 0.000 1.109 396 T CB -0.210 68.647 68.868 -0.017 0.000 0.921 396 T HN 0.051 nan 8.240 nan 0.000 0.488 397 I N 2.178 122.725 120.570 -0.038 0.000 2.163 397 I HA -0.081 4.089 4.170 -0.000 0.000 0.243 397 I C -0.602 175.477 176.117 -0.064 0.000 1.085 397 I CA 1.365 62.633 61.300 -0.054 0.000 1.347 397 I CB -1.075 36.898 38.000 -0.045 0.000 1.044 397 I HN 0.218 nan 8.210 nan 0.000 0.408 398 P HA -0.144 nan 4.420 nan 0.000 0.216 398 P C 1.819 179.086 177.300 -0.055 0.000 1.153 398 P CA 1.528 64.601 63.100 -0.045 0.000 0.848 398 P CB 0.005 31.689 31.700 -0.026 0.000 0.787 399 I N -1.395 119.147 120.570 -0.046 0.000 2.179 399 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 399 I C 2.254 178.305 176.117 -0.111 0.000 1.088 399 I CA 1.141 62.414 61.300 -0.044 0.000 1.357 399 I CB -0.795 37.197 38.000 -0.013 0.000 1.051 399 I HN -0.059 nan 8.210 nan 0.000 0.409 400 L N 1.400 122.551 121.223 -0.121 0.000 2.046 400 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 400 L C 2.552 179.285 176.870 -0.228 0.000 1.077 400 L CA 2.037 56.771 54.840 -0.178 0.000 0.747 400 L CB -0.803 41.177 42.059 -0.132 0.000 0.896 400 L HN 0.169 nan 8.230 nan 0.000 0.432 401 A N 0.041 122.750 122.820 -0.185 0.000 1.908 401 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 401 A C 2.563 180.028 177.584 -0.199 0.000 1.181 401 A CA 2.012 53.928 52.037 -0.201 0.000 0.627 401 A CB -0.725 18.193 19.000 -0.137 0.000 0.818 401 A HN 0.582 nan 8.150 nan 0.000 0.445 402 R N -0.384 120.018 120.500 -0.164 0.000 2.070 402 R HA -0.075 4.265 4.340 -0.000 0.000 0.233 402 R C 2.334 178.462 176.300 -0.287 0.000 1.137 402 R CA 1.617 57.630 56.100 -0.144 0.000 0.945 402 R CB -0.556 29.704 30.300 -0.067 0.000 0.845 402 R HN 0.391 nan 8.270 nan 0.000 0.430 403 A N 2.099 124.607 122.820 -0.520 0.000 1.884 403 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 403 A C 2.244 179.401 177.584 -0.712 0.000 1.197 403 A CA 2.080 53.426 52.037 -1.153 0.000 0.637 403 A CB -0.959 17.383 19.000 -1.097 0.000 0.827 403 A HN 0.670 nan 8.150 nan 0.000 0.450 404 I N -3.792 116.524 120.570 -0.423 0.000 2.830 404 I HA -0.055 4.115 4.170 -0.000 0.000 0.263 404 I C 1.739 177.763 176.117 -0.155 0.000 1.230 404 I CA 0.813 61.952 61.300 -0.268 0.000 1.480 404 I CB -0.171 37.653 38.000 -0.293 0.000 1.095 404 I HN 0.128 nan 8.210 nan 0.000 0.455 405 I N 1.538 122.018 120.570 -0.149 0.000 2.400 405 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 405 I C 2.640 178.763 176.117 0.010 0.000 1.109 405 I CA 1.106 62.394 61.300 -0.019 0.000 1.425 405 I CB -0.928 37.066 38.000 -0.011 0.000 1.094 405 I HN 0.284 nan 8.210 nan 0.000 0.425 406 E N 0.456 120.644 120.200 -0.020 0.000 2.058 406 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 406 E C 2.222 178.887 176.600 0.108 0.000 0.997 406 E CA 1.034 57.485 56.400 0.085 0.000 0.801 406 E CB -0.617 29.224 29.700 0.235 0.000 0.746 406 E HN 0.250 nan 8.360 nan 0.000 0.450 407 V N 0.677 120.634 119.914 0.071 0.000 3.078 407 V HA -0.008 4.112 4.120 -0.000 0.000 0.265 407 V C 0.662 176.804 176.094 0.081 0.000 1.122 407 V CA 1.220 63.580 62.300 0.101 0.000 1.141 407 V CB -0.994 30.876 31.823 0.078 0.000 0.735 407 V HN 0.461 nan 8.190 nan 0.000 0.498 408 G N 0.553 109.398 108.800 0.076 0.000 2.402 408 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.241 408 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.241 408 G C -0.420 174.548 174.900 0.114 0.000 0.871 408 G CA 0.631 45.789 45.100 0.097 0.000 1.232 408 G HN 1.382 nan 8.290 nan 0.000 0.369 409 V N 0.000 120.015 119.914 0.169 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.420 62.300 0.200 0.000 1.235 409 V CB 0.000 31.932 31.823 0.182 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556