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 2exa_1_A DATA FIRST_RESID 26 DATA SEQUENCE YITQLPAGAN LALMVQKVGA SAPAIDYHSQ QMALPASTQK VITALAALIQ DATA SEQUENCE LGPDFRFTTT LETKGNVENG VLKGDLVARF GADPTLKRQD IRNMVATLKK DATA SEQUENCE SGVNQIDGNV LIDTSIFASH DKAPGWPWND MTQcFSAPPA AAIVDRNcFS DATA SEQUENCE VSLYSAPKPG DMAFIRVASY YPVTMFSQVR TLPRGSAEAQ YcELDVVPGD DATA SEQUENCE LNRFTLTGcL PQRSEPLPLA FAVQDGASYA GAILKYELKQ AGITWSGTLL DATA SEQUENCE RQTQVNEPGT VVASKQSAPL HDLLKIMLKK SDNMIADTVF RMIGHARFNV DATA SEQUENCE PGTWRAGSDA VRQILRQQAG VDIGNTIIAD GSGLSRHNLI APATMMQVLQ DATA SEQUENCE YIAQHDNELN FISMLPLAGY DGSLQYRAGL HQAGVDGKVS AKTGSLQGVY DATA SEQUENCE NLAGFITTAS GQRMAFVQYL SGYAXXXXXX XXXRIPLVRF ESRLYKDIYQ DATA SEQUENCE NN 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 175.879 175.900 -0.035 0.000 1.272 26 Y CA 0.000 58.067 58.100 -0.055 0.000 1.940 26 Y CB 0.000 38.410 38.460 -0.083 0.000 1.050 27 I N 1.200 121.885 120.570 0.193 0.000 2.928 27 I HA -0.113 4.057 4.170 -0.000 0.000 0.266 27 I C 1.459 177.722 176.117 0.243 0.000 1.234 27 I CA 1.285 62.669 61.300 0.141 0.000 1.483 27 I CB -0.544 37.461 38.000 0.007 0.000 1.097 27 I HN 0.556 nan 8.210 nan 0.000 0.455 28 T N 0.289 114.941 114.554 0.164 0.000 2.814 28 T HA -0.279 4.071 4.350 -0.000 0.000 0.264 28 T C 0.946 175.650 174.700 0.007 0.000 1.050 28 T CA 1.184 63.301 62.100 0.029 0.000 1.147 28 T CB -0.533 68.304 68.868 -0.052 0.000 0.833 28 T HN 0.339 nan 8.240 nan 0.000 0.498 29 Q N 2.035 121.865 119.800 0.050 0.000 2.736 29 Q HA 0.419 4.759 4.340 -0.000 0.000 0.234 29 Q C 0.244 176.264 176.000 0.034 0.000 1.354 29 Q CA 0.043 55.863 55.803 0.028 0.000 0.891 29 Q CB -0.918 27.836 28.738 0.026 0.000 1.665 29 Q HN 0.680 nan 8.270 nan 0.000 0.563 30 L N -2.102 119.113 121.223 -0.014 0.000 2.343 30 L HA 0.863 5.202 4.340 -0.000 0.000 0.264 30 L C -2.033 174.807 176.870 -0.051 0.000 1.050 30 L CA -2.935 51.897 54.840 -0.014 0.000 0.956 30 L CB -0.125 41.924 42.059 -0.017 0.000 1.576 30 L HN -0.014 nan 8.230 nan 0.000 0.521 31 P HA 0.090 nan 4.420 nan 0.000 0.265 31 P C 0.082 177.337 177.300 -0.076 0.000 1.187 31 P CA 0.152 63.175 63.100 -0.130 0.000 0.766 31 P CB 0.872 32.411 31.700 -0.268 0.000 0.820 32 A N 3.040 125.828 122.820 -0.054 0.000 2.014 32 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 32 A C 2.130 179.705 177.584 -0.016 0.000 1.163 32 A CA 1.600 53.623 52.037 -0.023 0.000 0.652 32 A CB -1.297 17.693 19.000 -0.016 0.000 0.808 32 A HN 0.645 nan 8.150 nan 0.000 0.449 33 G N -0.710 108.069 108.800 -0.034 0.000 2.679 33 G HA2 0.321 4.281 3.960 -0.000 0.000 0.212 33 G HA3 0.321 4.281 3.960 -0.000 0.000 0.212 33 G C 0.635 175.534 174.900 -0.002 0.000 1.137 33 G CA 0.716 45.804 45.100 -0.021 0.000 0.787 33 G HN 0.788 nan 8.290 nan 0.000 0.534 34 A N 0.053 122.874 122.820 0.001 0.000 2.293 34 A HA 0.605 4.925 4.320 -0.000 0.000 0.302 34 A C -0.318 177.302 177.584 0.060 0.000 1.119 34 A CA -0.649 51.413 52.037 0.042 0.000 0.823 34 A CB 0.788 19.824 19.000 0.060 0.000 1.097 34 A HN 0.159 nan 8.150 nan 0.000 0.491 35 N N 1.185 119.934 118.700 0.083 0.000 2.443 35 N HA 0.443 5.183 4.740 -0.000 0.000 0.269 35 N C -1.781 173.814 175.510 0.141 0.000 0.985 35 N CA -0.421 52.690 53.050 0.102 0.000 0.921 35 N CB 1.136 39.667 38.487 0.073 0.000 1.195 35 N HN 0.534 nan 8.380 nan 0.000 0.492 36 L N 3.147 124.495 121.223 0.208 0.000 2.313 36 L HA 0.880 5.220 4.340 -0.000 0.000 0.283 36 L C -0.957 176.147 176.870 0.390 0.000 1.013 36 L CA -0.533 54.458 54.840 0.252 0.000 0.816 36 L CB 1.419 43.569 42.059 0.151 0.000 1.236 36 L HN 0.620 nan 8.230 nan 0.000 0.419 37 A N 5.358 128.376 122.820 0.331 0.000 2.356 37 A HA 0.813 5.133 4.320 -0.000 0.000 0.310 37 A C -1.808 175.932 177.584 0.259 0.000 1.075 37 A CA -0.479 51.745 52.037 0.312 0.000 0.746 37 A CB 1.362 20.508 19.000 0.243 0.000 1.221 37 A HN 0.782 nan 8.150 nan 0.000 0.443 38 L N 2.275 123.643 121.223 0.242 0.000 2.493 38 L HA 0.842 5.182 4.340 -0.000 0.000 0.265 38 L C -1.007 175.928 176.870 0.108 0.000 0.954 38 L CA -0.249 54.698 54.840 0.179 0.000 0.844 38 L CB 1.882 44.072 42.059 0.218 0.000 1.302 38 L HN 0.861 nan 8.230 nan 0.000 0.405 39 M N 5.079 124.718 119.600 0.065 0.000 2.371 39 M HA 0.739 5.219 4.480 -0.000 0.000 0.287 39 M C -2.069 174.270 176.300 0.065 0.000 1.149 39 M CA -0.554 54.770 55.300 0.041 0.000 0.929 39 M CB 2.103 34.711 32.600 0.012 0.000 1.683 39 M HN 0.394 nan 8.290 nan 0.000 0.470 40 V N 3.793 123.737 119.914 0.050 0.000 2.623 40 V HA 0.582 4.702 4.120 -0.000 0.000 0.304 40 V C -1.117 175.008 176.094 0.052 0.000 1.054 40 V CA -0.521 61.826 62.300 0.079 0.000 0.882 40 V CB 1.971 33.812 31.823 0.030 0.000 1.002 40 V HN 0.893 nan 8.190 nan 0.000 0.424 41 Q N 2.817 122.662 119.800 0.075 0.000 2.284 41 Q HA 0.442 4.782 4.340 -0.000 0.000 0.269 41 Q C -0.913 175.135 176.000 0.080 0.000 1.026 41 Q CA -0.815 55.024 55.803 0.059 0.000 0.831 41 Q CB 2.421 31.187 28.738 0.047 0.000 1.322 41 Q HN 0.733 nan 8.270 nan 0.000 0.419 42 K N 1.727 122.163 120.400 0.060 0.000 2.485 42 K HA 0.128 4.448 4.320 -0.000 0.000 0.277 42 K C -0.655 175.988 176.600 0.072 0.000 0.990 42 K CA -0.205 56.121 56.287 0.065 0.000 0.994 42 K CB 0.621 33.143 32.500 0.037 0.000 0.906 42 K HN 0.459 nan 8.250 nan 0.000 0.488 43 V N 4.257 124.222 119.914 0.085 0.000 2.493 43 V HA 0.073 4.193 4.120 -0.000 0.000 0.292 43 V C 1.412 177.527 176.094 0.036 0.000 1.016 43 V CA 1.570 63.915 62.300 0.074 0.000 1.097 43 V CB 0.262 32.120 31.823 0.058 0.000 0.947 43 V HN 1.152 nan 8.190 nan 0.000 0.479 44 G N 3.795 112.615 108.800 0.033 0.000 2.176 44 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.253 44 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.253 44 G C 0.424 175.335 174.900 0.018 0.000 0.979 44 G CA 0.220 45.330 45.100 0.016 0.000 0.641 44 G HN 1.486 nan 8.290 nan 0.000 0.530 45 A N 0.333 123.168 122.820 0.025 0.000 2.351 45 A HA 0.743 5.063 4.320 -0.000 0.000 0.257 45 A C 1.616 179.213 177.584 0.022 0.000 1.087 45 A CA 1.089 53.138 52.037 0.020 0.000 0.798 45 A CB 0.590 19.602 19.000 0.020 0.000 1.033 45 A HN 1.457 nan 8.150 nan 0.000 0.488 46 S N 0.260 115.970 115.700 0.017 0.000 2.478 46 S HA 0.417 4.887 4.470 -0.000 0.000 0.222 46 S C 0.699 175.309 174.600 0.018 0.000 1.008 46 S CA 0.518 58.729 58.200 0.018 0.000 0.928 46 S CB -0.175 63.034 63.200 0.015 0.000 0.781 46 S HN 1.556 nan 8.310 nan 0.000 0.518 47 A N 2.381 125.210 122.820 0.015 0.000 2.401 47 A HA 0.778 5.098 4.320 -0.000 0.000 0.310 47 A C -2.966 174.625 177.584 0.012 0.000 1.075 47 A CA -2.047 49.998 52.037 0.013 0.000 0.746 47 A CB 0.964 19.969 19.000 0.009 0.000 1.277 47 A HN 0.205 nan 8.150 nan 0.000 0.425 48 P HA 0.352 nan 4.420 nan 0.000 0.275 48 P C 0.540 177.838 177.300 -0.004 0.000 1.228 48 P CA 0.133 63.239 63.100 0.009 0.000 0.786 48 P CB 1.611 33.316 31.700 0.008 0.000 0.927 49 A N 3.323 126.139 122.820 -0.007 0.000 1.975 49 A HA 0.140 4.460 4.320 -0.000 0.000 0.215 49 A C 1.126 178.678 177.584 -0.053 0.000 1.170 49 A CA 0.909 52.930 52.037 -0.027 0.000 0.656 49 A CB -0.365 18.619 19.000 -0.025 0.000 0.821 49 A HN 0.561 nan 8.150 nan 0.000 0.449 50 I N -0.120 120.419 120.570 -0.051 0.000 2.533 50 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 50 I C -1.650 174.447 176.117 -0.033 0.000 1.056 50 I CA -0.623 60.629 61.300 -0.080 0.000 1.057 50 I CB 2.307 40.239 38.000 -0.114 0.000 1.240 50 I HN 0.028 nan 8.210 nan 0.000 0.423 51 D N 5.849 126.231 120.400 -0.030 0.000 2.375 51 D HA 0.191 4.831 4.640 -0.000 0.000 0.241 51 D C -1.920 174.404 176.300 0.041 0.000 1.361 51 D CA -0.232 53.774 54.000 0.009 0.000 0.995 51 D CB 0.988 41.787 40.800 -0.002 0.000 1.312 51 D HN 0.338 nan 8.370 nan 0.000 0.576 52 Y N 4.679 124.927 120.300 -0.088 0.000 2.363 52 Y HA 0.308 4.857 4.550 -0.000 0.000 0.325 52 Y C -0.186 175.681 175.900 -0.054 0.000 0.984 52 Y CA -0.521 57.488 58.100 -0.151 0.000 1.248 52 Y CB 0.253 38.639 38.460 -0.123 0.000 1.116 52 Y HN 0.417 nan 8.280 nan 0.000 0.470 53 H N 2.343 121.215 119.070 -0.330 0.000 2.713 53 H HA -0.197 4.359 4.556 -0.000 0.000 0.311 53 H C 1.422 176.708 175.328 -0.071 0.000 1.175 53 H CA 0.987 56.883 56.048 -0.253 0.000 1.143 53 H CB -1.476 28.058 29.762 -0.380 0.000 1.434 53 H HN 0.645 nan 8.280 nan 0.000 0.418 54 S N -1.509 114.225 115.700 0.057 0.000 2.481 54 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 54 S C 1.787 176.420 174.600 0.054 0.000 0.996 54 S CA 1.128 59.361 58.200 0.055 0.000 0.942 54 S CB 0.291 63.510 63.200 0.032 0.000 0.768 54 S HN 0.425 nan 8.310 nan 0.000 0.520 55 Q N 0.989 120.821 119.800 0.053 0.000 2.424 55 Q HA 0.253 4.593 4.340 -0.000 0.000 0.204 55 Q C 0.795 176.824 176.000 0.049 0.000 0.933 55 Q CA 0.149 55.980 55.803 0.046 0.000 0.929 55 Q CB 0.059 28.818 28.738 0.035 0.000 1.037 55 Q HN 0.749 nan 8.270 nan 0.000 0.511 56 Q N 0.594 120.428 119.800 0.056 0.000 2.296 56 Q HA 0.149 4.489 4.340 -0.000 0.000 0.262 56 Q C -0.748 175.300 176.000 0.080 0.000 0.981 56 Q CA -0.064 55.762 55.803 0.039 0.000 0.905 56 Q CB 0.602 29.342 28.738 0.004 0.000 1.186 56 Q HN 0.226 nan 8.270 nan 0.000 0.399 57 M N 2.709 122.346 119.600 0.061 0.000 2.217 57 M HA 0.417 4.897 4.480 -0.000 0.000 0.354 57 M C -0.439 175.901 176.300 0.067 0.000 1.225 57 M CA -0.034 55.312 55.300 0.078 0.000 1.137 57 M CB 1.233 33.862 32.600 0.049 0.000 1.576 57 M HN 0.764 nan 8.290 nan 0.000 0.461 58 A N 2.825 125.687 122.820 0.070 0.000 2.566 58 A HA 0.734 5.054 4.320 -0.000 0.000 0.292 58 A C -1.526 175.970 177.584 -0.147 0.000 1.112 58 A CA -0.839 51.187 52.037 -0.019 0.000 0.707 58 A CB 1.218 20.233 19.000 0.025 0.000 1.302 58 A HN 0.739 nan 8.150 nan 0.000 0.409 59 L N 2.297 123.414 121.223 -0.176 0.000 2.433 59 L HA 0.384 4.724 4.340 -0.000 0.000 0.275 59 L C -1.367 175.265 176.870 -0.396 0.000 1.128 59 L CA -1.193 53.529 54.840 -0.196 0.000 0.875 59 L CB 0.690 42.674 42.059 -0.126 0.000 1.171 59 L HN 0.510 nan 8.230 nan 0.000 0.463 60 P HA 0.036 nan 4.420 nan 0.000 0.227 60 P C 0.744 177.902 177.300 -0.237 0.000 1.161 60 P CA 1.018 63.845 63.100 -0.455 0.000 0.788 60 P CB 0.147 31.755 31.700 -0.153 0.000 0.822 61 A N 0.568 123.288 122.820 -0.166 0.000 5.684 61 A HA -0.280 4.040 4.320 -0.000 0.000 0.306 61 A C 1.831 179.371 177.584 -0.073 0.000 1.885 61 A CA 1.873 53.838 52.037 -0.119 0.000 0.721 61 A CB -2.373 16.547 19.000 -0.134 0.000 1.295 61 A HN 0.203 nan 8.150 nan 0.000 0.386 62 S N 0.343 116.006 115.700 -0.062 0.000 2.547 62 S HA 0.014 4.484 4.470 -0.000 0.000 0.235 62 S C 1.805 176.416 174.600 0.018 0.000 0.980 62 S CA 1.791 59.975 58.200 -0.027 0.000 0.941 62 S CB -0.755 62.422 63.200 -0.039 0.000 0.763 62 S HN 1.556 nan 8.310 nan 0.000 0.532 63 T N -0.564 114.013 114.554 0.039 0.000 3.051 63 T HA -0.087 4.262 4.350 -0.000 0.000 0.269 63 T C 1.575 176.336 174.700 0.101 0.000 1.127 63 T CA 0.920 63.076 62.100 0.095 0.000 1.107 63 T CB -0.284 68.699 68.868 0.192 0.000 0.898 63 T HN 0.219 nan 8.240 nan 0.000 0.517 64 Q N 1.752 121.593 119.800 0.069 0.000 2.181 64 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 64 Q C 2.094 178.158 176.000 0.108 0.000 0.980 64 Q CA 1.547 57.398 55.803 0.080 0.000 0.862 64 Q CB -0.411 28.351 28.738 0.040 0.000 0.905 64 Q HN 0.621 nan 8.270 nan 0.000 0.429 65 K N -0.975 119.484 120.400 0.098 0.000 2.280 65 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 65 K C 1.830 178.531 176.600 0.168 0.000 1.047 65 K CA 1.087 57.445 56.287 0.118 0.000 0.942 65 K CB 0.026 32.576 32.500 0.083 0.000 0.739 65 K HN 0.090 nan 8.250 nan 0.000 0.457 66 V N 1.658 121.683 119.914 0.186 0.000 2.295 66 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 66 V C 2.135 178.394 176.094 0.276 0.000 1.049 66 V CA 1.611 64.086 62.300 0.292 0.000 1.024 66 V CB -0.332 31.607 31.823 0.193 0.000 0.648 66 V HN 0.275 nan 8.190 nan 0.000 0.447 67 I N -0.003 120.676 120.570 0.181 0.000 2.226 67 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 67 I C 2.549 178.778 176.117 0.187 0.000 1.100 67 I CA 1.875 63.268 61.300 0.156 0.000 1.374 67 I CB -0.591 37.491 38.000 0.137 0.000 1.057 67 I HN 0.338 nan 8.210 nan 0.000 0.413 68 T N 0.757 115.439 114.554 0.213 0.000 2.708 68 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 68 T C 2.056 176.873 174.700 0.195 0.000 1.037 68 T CA 1.484 63.723 62.100 0.233 0.000 1.146 68 T CB -0.360 68.659 68.868 0.251 0.000 0.865 68 T HN 0.481 nan 8.240 nan 0.000 0.435 69 A N 1.267 124.213 122.820 0.211 0.000 1.902 69 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 69 A C 2.259 180.026 177.584 0.304 0.000 1.181 69 A CA 1.380 53.531 52.037 0.189 0.000 0.623 69 A CB -0.835 18.221 19.000 0.094 0.000 0.818 69 A HN 0.401 nan 8.150 nan 0.000 0.443 70 L N -0.209 121.264 121.223 0.416 0.000 2.017 70 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 70 L C 2.667 179.618 176.870 0.136 0.000 1.073 70 L CA 2.323 57.346 54.840 0.305 0.000 0.745 70 L CB -0.858 41.282 42.059 0.135 0.000 0.894 70 L HN 0.331 nan 8.230 nan 0.000 0.432 71 A N -0.570 122.301 122.820 0.084 0.000 1.933 71 A HA -0.085 4.234 4.320 -0.000 0.000 0.218 71 A C 2.430 180.007 177.584 -0.012 0.000 1.175 71 A CA 1.773 53.815 52.037 0.008 0.000 0.628 71 A CB -1.116 17.885 19.000 0.003 0.000 0.814 71 A HN 0.599 nan 8.150 nan 0.000 0.444 72 A N -0.234 122.601 122.820 0.025 0.000 1.873 72 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 72 A C 2.155 179.732 177.584 -0.012 0.000 1.186 72 A CA 1.438 53.462 52.037 -0.022 0.000 0.616 72 A CB -0.581 18.431 19.000 0.020 0.000 0.823 72 A HN 0.461 nan 8.150 nan 0.000 0.442 73 L N -0.580 120.681 121.223 0.063 0.000 2.093 73 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 73 L C 2.452 179.359 176.870 0.061 0.000 1.085 73 L CA 1.077 55.973 54.840 0.093 0.000 0.755 73 L CB -0.453 41.714 42.059 0.179 0.000 0.904 73 L HN 0.389 nan 8.230 nan 0.000 0.435 74 I N -0.736 119.856 120.570 0.037 0.000 2.202 74 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 74 I C 2.630 178.722 176.117 -0.041 0.000 1.091 74 I CA 1.093 62.393 61.300 0.000 0.000 1.368 74 I CB -0.113 37.866 38.000 -0.036 0.000 1.058 74 I HN 0.276 nan 8.210 nan 0.000 0.410 75 Q N 1.051 120.802 119.800 -0.082 0.000 2.062 75 Q HA -0.030 4.310 4.340 -0.000 0.000 0.196 75 Q C 1.983 177.901 176.000 -0.136 0.000 0.967 75 Q CA 1.634 57.359 55.803 -0.131 0.000 0.832 75 Q CB 0.005 28.629 28.738 -0.191 0.000 0.899 75 Q HN 0.457 nan 8.270 nan 0.000 0.442 76 L N -1.193 119.936 121.223 -0.157 0.000 2.408 76 L HA 0.373 4.713 4.340 -0.000 0.000 0.215 76 L C 0.875 177.739 176.870 -0.010 0.000 1.081 76 L CA 0.125 54.848 54.840 -0.195 0.000 0.840 76 L CB -0.105 41.648 42.059 -0.510 0.000 1.002 76 L HN 0.366 nan 8.230 nan 0.000 0.468 77 G N 0.626 109.438 108.800 0.019 0.000 2.733 77 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 77 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 77 G C -2.177 172.798 174.900 0.124 0.000 1.373 77 G CA -0.356 44.790 45.100 0.076 0.000 0.838 77 G HN 0.008 nan 8.290 nan 0.000 0.588 78 P HA 0.025 nan 4.420 nan 0.000 0.222 78 P C 0.580 177.975 177.300 0.158 0.000 1.147 78 P CA 1.527 64.735 63.100 0.181 0.000 0.790 78 P CB 0.188 31.977 31.700 0.148 0.000 0.780 79 D N -1.251 119.222 120.400 0.122 0.000 2.363 79 D HA 0.055 4.695 4.640 -0.000 0.000 0.214 79 D C 0.481 176.830 176.300 0.083 0.000 1.093 79 D CA -0.421 53.631 54.000 0.087 0.000 0.837 79 D CB -0.378 40.450 40.800 0.047 0.000 0.948 79 D HN 0.164 nan 8.370 nan 0.000 0.507 80 F N 2.523 122.462 119.950 -0.018 0.000 2.607 80 F HA 0.041 4.567 4.527 -0.000 0.000 0.374 80 F C 0.399 176.155 175.800 -0.073 0.000 1.104 80 F CA 0.150 58.107 58.000 -0.072 0.000 1.296 80 F CB 0.456 39.382 39.000 -0.124 0.000 1.085 80 F HN -0.337 nan 8.300 nan 0.000 0.584 81 R N 5.418 125.320 120.500 -0.996 0.000 2.686 81 R HA 0.375 4.715 4.340 -0.000 0.000 0.286 81 R C -1.313 174.319 176.300 -1.113 0.000 0.969 81 R CA -1.002 54.676 56.100 -0.703 0.000 0.898 81 R CB 1.552 31.671 30.300 -0.301 0.000 1.183 81 R HN 0.497 nan 8.270 nan 0.000 0.456 82 F N 0.576 120.264 119.950 -0.436 0.000 2.450 82 F HA 0.201 4.728 4.527 -0.000 0.000 0.339 82 F C 0.895 176.581 175.800 -0.191 0.000 1.146 82 F CA 0.665 58.545 58.000 -0.201 0.000 1.267 82 F CB 1.113 40.130 39.000 0.029 0.000 1.178 82 F HN 0.257 nan 8.300 nan 0.000 0.585 83 T N 1.077 115.654 114.554 0.039 0.000 2.916 83 T HA 0.489 4.839 4.350 -0.000 0.000 0.298 83 T C -0.719 173.960 174.700 -0.034 0.000 1.031 83 T CA -0.808 61.271 62.100 -0.035 0.000 0.993 83 T CB 1.659 70.474 68.868 -0.088 0.000 1.045 83 T HN 0.476 nan 8.240 nan 0.000 0.454 84 T N 2.677 117.182 114.554 -0.082 0.000 2.861 84 T HA 0.791 5.141 4.350 -0.000 0.000 0.287 84 T C -0.214 174.372 174.700 -0.191 0.000 1.003 84 T CA -0.829 61.161 62.100 -0.183 0.000 0.977 84 T CB 1.647 70.379 68.868 -0.226 0.000 0.996 84 T HN 0.805 nan 8.240 nan 0.000 0.448 85 T N 0.491 114.906 114.554 -0.231 0.000 2.903 85 T HA 0.750 5.100 4.350 -0.000 0.000 0.299 85 T C -0.881 173.701 174.700 -0.197 0.000 1.093 85 T CA -0.988 61.008 62.100 -0.173 0.000 1.002 85 T CB 0.941 69.738 68.868 -0.117 0.000 1.127 85 T HN 0.395 nan 8.240 nan 0.000 0.488 86 L N 1.580 122.716 121.223 -0.145 0.000 2.295 86 L HA 0.634 4.974 4.340 -0.000 0.000 0.285 86 L C 0.091 176.911 176.870 -0.084 0.000 1.035 86 L CA -0.708 54.060 54.840 -0.120 0.000 0.806 86 L CB 1.464 43.462 42.059 -0.103 0.000 1.214 86 L HN 0.757 nan 8.230 nan 0.000 0.426 87 E N 1.124 121.281 120.200 -0.072 0.000 2.288 87 E HA 0.491 4.841 4.350 -0.000 0.000 0.268 87 E C -0.928 175.649 176.600 -0.039 0.000 0.885 87 E CA -0.734 55.636 56.400 -0.050 0.000 0.767 87 E CB 2.628 32.301 29.700 -0.045 0.000 1.220 87 E HN 0.587 nan 8.360 nan 0.000 0.427 88 T N -0.632 113.905 114.554 -0.028 0.000 2.829 88 T HA 0.507 4.857 4.350 -0.000 0.000 0.280 88 T C -0.406 174.286 174.700 -0.013 0.000 0.999 88 T CA -1.086 61.002 62.100 -0.019 0.000 0.983 88 T CB 1.127 69.987 68.868 -0.014 0.000 0.968 88 T HN 0.230 nan 8.240 nan 0.000 0.446 89 K N 2.179 122.574 120.400 -0.008 0.000 2.464 89 K HA 0.653 4.973 4.320 -0.000 0.000 0.252 89 K C 0.090 176.691 176.600 0.002 0.000 1.000 89 K CA -0.691 55.594 56.287 -0.003 0.000 0.951 89 K CB 1.324 33.823 32.500 -0.002 0.000 1.183 89 K HN 1.143 nan 8.250 nan 0.000 0.445 90 G N 1.991 110.792 108.800 0.002 0.000 2.351 90 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.353 90 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.353 90 G C -1.593 173.310 174.900 0.004 0.000 1.358 90 G CA -1.121 43.982 45.100 0.005 0.000 0.995 90 G HN 0.420 nan 8.290 nan 0.000 0.611 91 N N -0.862 117.841 118.700 0.006 0.000 2.524 91 N HA 0.500 5.239 4.740 -0.000 0.000 0.283 91 N C -0.135 175.379 175.510 0.007 0.000 1.142 91 N CA -0.263 52.791 53.050 0.005 0.000 0.984 91 N CB 1.973 40.463 38.487 0.005 0.000 1.155 91 N HN 0.441 nan 8.380 nan 0.000 0.467 92 V N 1.908 121.825 119.914 0.005 0.000 2.333 92 V HA 0.229 4.349 4.120 -0.000 0.000 0.274 92 V C -0.002 176.096 176.094 0.006 0.000 1.028 92 V CA -0.462 61.842 62.300 0.007 0.000 0.851 92 V CB 0.454 32.280 31.823 0.004 0.000 1.000 92 V HN 0.539 nan 8.190 nan 0.000 0.456 93 E N 3.980 124.185 120.200 0.008 0.000 2.155 93 E HA 0.410 4.760 4.350 -0.000 0.000 0.264 93 E C -0.232 176.372 176.600 0.007 0.000 0.886 93 E CA -0.673 55.731 56.400 0.007 0.000 0.752 93 E CB 0.852 30.556 29.700 0.007 0.000 1.133 93 E HN 0.681 nan 8.360 nan 0.000 0.414 94 N N 2.575 121.278 118.700 0.005 0.000 2.725 94 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 94 N C 0.628 176.142 175.510 0.006 0.000 1.031 94 N CA 1.328 54.381 53.050 0.005 0.000 0.720 94 N CB -0.982 37.507 38.487 0.004 0.000 0.930 94 N HN 0.966 nan 8.380 nan 0.000 0.543 95 G N -3.117 105.687 108.800 0.007 0.000 2.184 95 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 95 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 95 G C 0.019 174.928 174.900 0.015 0.000 0.975 95 G CA 0.333 45.438 45.100 0.010 0.000 0.642 95 G HN 0.590 nan 8.290 nan 0.000 0.536 96 V N 1.882 121.805 119.914 0.016 0.000 2.347 96 V HA 0.508 4.628 4.120 -0.000 0.000 0.280 96 V C 0.855 176.962 176.094 0.022 0.000 1.021 96 V CA -0.805 61.509 62.300 0.022 0.000 0.847 96 V CB 1.814 33.650 31.823 0.020 0.000 0.990 96 V HN 0.342 nan 8.190 nan 0.000 0.444 97 L N 6.542 127.782 121.223 0.028 0.000 2.369 97 L HA 0.324 4.664 4.340 -0.000 0.000 0.279 97 L C 0.204 177.090 176.870 0.027 0.000 1.108 97 L CA -0.413 54.441 54.840 0.024 0.000 0.852 97 L CB 0.592 42.666 42.059 0.024 0.000 1.169 97 L HN 0.605 nan 8.230 nan 0.000 0.452 98 K N 5.446 125.858 120.400 0.021 0.000 2.180 98 K HA 0.530 4.850 4.320 -0.000 0.000 0.250 98 K C 0.133 176.745 176.600 0.020 0.000 1.135 98 K CA -0.147 56.153 56.287 0.022 0.000 1.037 98 K CB 0.812 33.322 32.500 0.017 0.000 1.624 98 K HN 0.853 nan 8.250 nan 0.000 0.382 99 G N 1.533 110.348 108.800 0.025 0.000 2.350 99 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.276 99 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.276 99 G C -1.942 172.971 174.900 0.023 0.000 1.313 99 G CA -0.831 44.282 45.100 0.021 0.000 0.903 99 G HN 0.283 nan 8.290 nan 0.000 0.490 100 D N 0.019 120.426 120.400 0.013 0.000 2.181 100 D HA 0.569 5.209 4.640 -0.000 0.000 0.248 100 D C -0.329 175.964 176.300 -0.011 0.000 1.020 100 D CA -0.317 53.685 54.000 0.004 0.000 0.891 100 D CB 2.344 43.145 40.800 0.002 0.000 1.187 100 D HN 0.429 nan 8.370 nan 0.000 0.443 101 L N 2.011 123.216 121.223 -0.030 0.000 2.292 101 L HA 0.362 4.702 4.340 -0.000 0.000 0.284 101 L C -1.094 175.743 176.870 -0.056 0.000 1.065 101 L CA -0.337 54.472 54.840 -0.050 0.000 0.806 101 L CB 1.290 43.300 42.059 -0.081 0.000 1.175 101 L HN 0.098 nan 8.230 nan 0.000 0.431 102 V N 5.215 125.099 119.914 -0.050 0.000 2.448 102 V HA 0.722 4.842 4.120 -0.000 0.000 0.295 102 V C 0.134 176.188 176.094 -0.066 0.000 1.025 102 V CA -0.515 61.760 62.300 -0.041 0.000 0.859 102 V CB 1.285 33.090 31.823 -0.029 0.000 0.988 102 V HN 0.960 nan 8.190 nan 0.000 0.431 103 A N 5.393 128.183 122.820 -0.051 0.000 2.280 103 A HA 0.607 4.927 4.320 -0.000 0.000 0.320 103 A C 0.128 177.636 177.584 -0.125 0.000 1.366 103 A CA -0.523 51.433 52.037 -0.136 0.000 0.938 103 A CB 0.160 19.117 19.000 -0.072 0.000 1.157 103 A HN 0.814 nan 8.150 nan 0.000 0.536 104 R N 3.389 123.763 120.500 -0.209 0.000 2.204 104 R HA 0.459 4.799 4.340 -0.000 0.000 0.341 104 R C -1.460 174.700 176.300 -0.234 0.000 1.035 104 R CA -0.255 55.774 56.100 -0.118 0.000 0.887 104 R CB 0.148 30.397 30.300 -0.085 0.000 1.114 104 R HN 0.551 nan 8.270 nan 0.000 0.473 105 F N 1.216 121.131 119.950 -0.059 0.000 2.371 105 F HA 0.383 4.910 4.527 -0.000 0.000 0.329 105 F C 1.553 177.285 175.800 -0.113 0.000 1.107 105 F CA 0.144 58.104 58.000 -0.067 0.000 1.137 105 F CB 1.969 40.936 39.000 -0.055 0.000 1.214 105 F HN 0.681 nan 8.300 nan 0.000 0.536 106 G N 0.539 109.376 108.800 0.062 0.000 4.299 106 G HA2 0.425 4.385 3.960 -0.000 0.000 0.290 106 G HA3 0.425 4.385 3.960 -0.000 0.000 0.290 106 G C 0.398 175.316 174.900 0.030 0.000 1.019 106 G CA 0.041 45.132 45.100 -0.015 0.000 0.790 106 G HN 1.151 nan 8.290 nan 0.000 0.452 107 A N 0.443 123.227 122.820 -0.059 0.000 2.887 107 A HA -0.203 4.117 4.320 -0.000 0.000 0.257 107 A C 0.515 177.994 177.584 -0.175 0.000 1.372 107 A CA 0.830 52.817 52.037 -0.083 0.000 0.879 107 A CB -1.995 16.887 19.000 -0.198 0.000 1.082 107 A HN 0.551 nan 8.150 nan 0.000 0.703 108 D N 0.108 120.440 120.400 -0.113 0.000 2.363 108 D HA 0.279 4.919 4.640 -0.000 0.000 0.263 108 D C -0.399 175.731 176.300 -0.284 0.000 1.258 108 D CA -0.968 52.833 54.000 -0.332 0.000 0.907 108 D CB 0.809 41.602 40.800 -0.011 0.000 1.107 108 D HN 0.332 nan 8.370 nan 0.000 0.495 109 P HA -0.063 nan 4.420 nan 0.000 0.233 109 P C 0.798 178.055 177.300 -0.071 0.000 1.167 109 P CA 0.783 63.774 63.100 -0.182 0.000 0.770 109 P CB 0.089 31.675 31.700 -0.190 0.000 0.837 110 T N -4.199 110.313 114.554 -0.069 0.000 3.054 110 T HA 0.191 4.541 4.350 -0.000 0.000 0.255 110 T C 0.582 175.298 174.700 0.027 0.000 1.035 110 T CA -0.471 61.628 62.100 -0.002 0.000 0.941 110 T CB -0.627 68.249 68.868 0.013 0.000 1.026 110 T HN -0.146 nan 8.240 nan 0.000 0.533 111 L N 2.553 123.797 121.223 0.036 0.000 2.525 111 L HA 0.319 4.659 4.340 -0.000 0.000 0.278 111 L C -0.038 176.885 176.870 0.087 0.000 1.218 111 L CA 0.694 55.575 54.840 0.069 0.000 0.878 111 L CB 0.253 42.380 42.059 0.112 0.000 1.127 111 L HN 0.175 nan 8.230 nan 0.000 0.492 112 K N 4.210 124.655 120.400 0.075 0.000 2.350 112 K HA 0.416 4.736 4.320 -0.000 0.000 0.241 112 K C 0.817 177.458 176.600 0.069 0.000 0.994 112 K CA -0.959 55.372 56.287 0.073 0.000 0.839 112 K CB 1.706 34.233 32.500 0.045 0.000 1.244 112 K HN 0.434 nan 8.250 nan 0.000 0.443 113 R N 0.885 121.421 120.500 0.060 0.000 2.113 113 R HA -0.222 4.118 4.340 -0.000 0.000 0.244 113 R C 1.959 178.275 176.300 0.026 0.000 1.142 113 R CA 1.895 58.017 56.100 0.037 0.000 0.953 113 R CB -0.077 30.215 30.300 -0.013 0.000 0.860 113 R HN 0.544 nan 8.270 nan 0.000 0.438 114 Q N 0.084 119.889 119.800 0.008 0.000 2.234 114 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 114 Q C 1.400 177.406 176.000 0.010 0.000 0.980 114 Q CA 1.188 56.994 55.803 0.004 0.000 0.869 114 Q CB -0.015 28.719 28.738 -0.007 0.000 0.912 114 Q HN 0.417 nan 8.270 nan 0.000 0.436 115 D N 0.488 120.898 120.400 0.017 0.000 2.117 115 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 115 D C 1.899 178.201 176.300 0.004 0.000 0.982 115 D CA 0.751 54.757 54.000 0.009 0.000 0.828 115 D CB 0.026 40.836 40.800 0.016 0.000 0.967 115 D HN 0.186 nan 8.370 nan 0.000 0.464 116 I N 1.008 121.593 120.570 0.025 0.000 2.179 116 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 116 I C 2.529 178.652 176.117 0.010 0.000 1.088 116 I CA 0.861 62.175 61.300 0.023 0.000 1.357 116 I CB -1.000 37.040 38.000 0.068 0.000 1.051 116 I HN 0.011 nan 8.210 nan 0.000 0.409 117 R N 1.131 121.643 120.500 0.021 0.000 2.091 117 R HA -0.197 4.142 4.340 -0.000 0.000 0.238 117 R C 2.038 178.335 176.300 -0.004 0.000 1.136 117 R CA 1.843 57.951 56.100 0.013 0.000 0.959 117 R CB -0.061 30.253 30.300 0.022 0.000 0.856 117 R HN 0.377 nan 8.270 nan 0.000 0.437 118 N N 0.224 118.919 118.700 -0.007 0.000 2.142 118 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 118 N C 1.757 177.254 175.510 -0.023 0.000 1.023 118 N CA 1.528 54.570 53.050 -0.014 0.000 0.852 118 N CB -0.180 38.299 38.487 -0.013 0.000 0.998 118 N HN 0.311 nan 8.380 nan 0.000 0.424 119 M N 0.062 119.643 119.600 -0.031 0.000 2.175 119 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 119 M C 1.940 178.215 176.300 -0.041 0.000 1.063 119 M CA 0.926 56.199 55.300 -0.045 0.000 1.119 119 M CB -0.043 32.516 32.600 -0.070 0.000 1.377 119 M HN -0.092 nan 8.290 nan 0.000 0.415 120 V N 0.216 120.110 119.914 -0.034 0.000 2.358 120 V HA -0.236 3.883 4.120 -0.000 0.000 0.246 120 V C 2.591 178.671 176.094 -0.023 0.000 1.047 120 V CA 1.925 64.207 62.300 -0.030 0.000 1.035 120 V CB -1.113 30.694 31.823 -0.026 0.000 0.658 120 V HN 0.514 nan 8.190 nan 0.000 0.452 121 A N -0.345 122.462 122.820 -0.021 0.000 1.908 121 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 121 A C 2.397 179.970 177.584 -0.018 0.000 1.181 121 A CA 2.611 54.637 52.037 -0.018 0.000 0.627 121 A CB -0.947 18.043 19.000 -0.016 0.000 0.818 121 A HN 0.501 nan 8.150 nan 0.000 0.445 122 T N -0.044 114.497 114.554 -0.022 0.000 2.777 122 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 122 T C 1.835 176.522 174.700 -0.022 0.000 1.040 122 T CA 1.383 63.470 62.100 -0.022 0.000 1.141 122 T CB -0.366 68.486 68.868 -0.027 0.000 0.868 122 T HN 0.355 nan 8.240 nan 0.000 0.444 123 L N 1.594 122.802 121.223 -0.025 0.000 2.012 123 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 123 L C 2.269 179.132 176.870 -0.013 0.000 1.073 123 L CA 1.977 56.804 54.840 -0.022 0.000 0.748 123 L CB -0.604 41.438 42.059 -0.028 0.000 0.891 123 L HN 0.025 nan 8.230 nan 0.000 0.431 124 K N -0.139 120.255 120.400 -0.010 0.000 2.002 124 K HA -0.199 4.120 4.320 -0.000 0.000 0.209 124 K C 2.252 178.848 176.600 -0.006 0.000 1.048 124 K CA 1.553 57.838 56.287 -0.004 0.000 0.930 124 K CB -0.380 32.116 32.500 -0.005 0.000 0.714 124 K HN 0.098 nan 8.250 nan 0.000 0.438 125 K N 0.623 121.018 120.400 -0.009 0.000 2.160 125 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 125 K C 1.983 178.578 176.600 -0.009 0.000 1.047 125 K CA 1.723 58.004 56.287 -0.009 0.000 0.930 125 K CB -0.444 32.049 32.500 -0.011 0.000 0.720 125 K HN 0.432 nan 8.250 nan 0.000 0.450 126 S N -1.216 114.478 115.700 -0.010 0.000 2.555 126 S HA 0.010 4.479 4.470 -0.000 0.000 0.230 126 S C 1.208 175.804 174.600 -0.006 0.000 0.978 126 S CA 1.121 59.315 58.200 -0.009 0.000 0.934 126 S CB 0.088 63.280 63.200 -0.013 0.000 0.766 126 S HN 0.424 nan 8.310 nan 0.000 0.533 127 G N -0.301 108.497 108.800 -0.004 0.000 2.154 127 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.186 127 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.186 127 G C -0.141 174.761 174.900 0.003 0.000 1.000 127 G CA -0.178 44.922 45.100 -0.001 0.000 0.664 127 G HN 0.667 nan 8.290 nan 0.000 0.513 128 V N 1.820 121.736 119.914 0.004 0.000 2.385 128 V HA 0.365 4.485 4.120 -0.000 0.000 0.269 128 V C 0.794 176.899 176.094 0.019 0.000 1.043 128 V CA -0.321 61.986 62.300 0.012 0.000 0.906 128 V CB 1.378 33.206 31.823 0.010 0.000 0.995 128 V HN 0.315 nan 8.190 nan 0.000 0.467 129 N N 3.386 122.100 118.700 0.024 0.000 2.294 129 N HA 0.102 4.841 4.740 -0.000 0.000 0.186 129 N C 0.291 175.829 175.510 0.046 0.000 1.107 129 N CA 0.177 53.244 53.050 0.028 0.000 0.884 129 N CB 1.179 39.676 38.487 0.017 0.000 1.030 129 N HN 0.747 nan 8.380 nan 0.000 0.482 130 Q N 0.415 120.248 119.800 0.054 0.000 2.353 130 Q HA 0.438 4.778 4.340 -0.000 0.000 0.275 130 Q C -1.875 174.176 176.000 0.085 0.000 1.029 130 Q CA -0.428 55.419 55.803 0.073 0.000 0.848 130 Q CB 1.933 30.698 28.738 0.045 0.000 1.390 130 Q HN 0.002 nan 8.270 nan 0.000 0.401 131 I N 2.822 123.472 120.570 0.135 0.000 2.382 131 I HA 0.213 4.383 4.170 -0.000 0.000 0.285 131 I C -0.740 175.456 176.117 0.131 0.000 1.007 131 I CA -0.519 60.858 61.300 0.128 0.000 1.142 131 I CB 1.570 39.661 38.000 0.152 0.000 1.289 131 I HN 0.543 nan 8.210 nan 0.000 0.453 132 D N 6.009 126.459 120.400 0.083 0.000 2.563 132 D HA 0.570 5.210 4.640 -0.000 0.000 0.222 132 D C 0.178 176.520 176.300 0.070 0.000 1.145 132 D CA 0.322 54.364 54.000 0.070 0.000 1.001 132 D CB 0.216 41.042 40.800 0.045 0.000 1.049 132 D HN 0.756 nan 8.370 nan 0.000 0.515 133 G N 1.762 110.621 108.800 0.098 0.000 2.344 133 G HA2 0.071 4.031 3.960 -0.000 0.000 0.282 133 G HA3 0.071 4.031 3.960 -0.000 0.000 0.282 133 G C -1.151 173.815 174.900 0.111 0.000 1.281 133 G CA -1.069 44.081 45.100 0.083 0.000 0.877 133 G HN 0.386 nan 8.290 nan 0.000 0.494 134 N N -1.626 117.114 118.700 0.066 0.000 2.477 134 N HA 0.601 5.341 4.740 -0.000 0.000 0.284 134 N C -0.819 174.671 175.510 -0.035 0.000 1.182 134 N CA -0.629 52.450 53.050 0.047 0.000 0.949 134 N CB 2.556 41.064 38.487 0.035 0.000 1.204 134 N HN 0.304 nan 8.380 nan 0.000 0.526 135 V N 2.202 122.042 119.914 -0.124 0.000 2.357 135 V HA 0.316 4.436 4.120 -0.000 0.000 0.284 135 V C -0.432 175.597 176.094 -0.108 0.000 1.018 135 V CA -0.589 61.589 62.300 -0.204 0.000 0.841 135 V CB 0.577 32.116 31.823 -0.474 0.000 0.991 135 V HN 0.427 nan 8.190 nan 0.000 0.437 136 L N 5.763 126.952 121.223 -0.058 0.000 2.282 136 L HA 0.559 4.899 4.340 -0.000 0.000 0.288 136 L C -0.551 176.334 176.870 0.023 0.000 1.033 136 L CA -0.658 54.175 54.840 -0.011 0.000 0.807 136 L CB 1.632 43.691 42.059 0.000 0.000 1.209 136 L HN 0.394 nan 8.230 nan 0.000 0.423 137 I N 2.840 123.441 120.570 0.051 0.000 2.291 137 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 137 I C -0.042 176.149 176.117 0.122 0.000 1.050 137 I CA -0.000 61.377 61.300 0.128 0.000 1.245 137 I CB 0.816 38.855 38.000 0.067 0.000 1.405 137 I HN 0.567 nan 8.210 nan 0.000 0.478 138 D N 5.513 126.019 120.400 0.176 0.000 2.329 138 D HA 0.226 4.866 4.640 -0.000 0.000 0.232 138 D C 0.582 176.967 176.300 0.142 0.000 1.088 138 D CA -0.094 53.973 54.000 0.112 0.000 0.835 138 D CB 1.480 42.319 40.800 0.065 0.000 1.078 138 D HN 0.595 nan 8.370 nan 0.000 0.495 139 T N -0.499 114.101 114.554 0.078 0.000 3.252 139 T HA 0.040 4.390 4.350 -0.000 0.000 0.286 139 T C 1.433 176.147 174.700 0.023 0.000 1.013 139 T CA -0.073 62.056 62.100 0.047 0.000 0.914 139 T CB -0.216 68.674 68.868 0.036 0.000 1.131 139 T HN 0.214 nan 8.240 nan 0.000 0.529 140 S N 0.932 116.645 115.700 0.022 0.000 2.500 140 S HA -0.052 4.418 4.470 -0.000 0.000 0.239 140 S C 1.748 176.351 174.600 0.005 0.000 0.989 140 S CA 0.220 58.436 58.200 0.026 0.000 0.951 140 S CB -0.737 62.481 63.200 0.029 0.000 0.759 140 S HN 0.414 nan 8.310 nan 0.000 0.523 141 I N 0.543 121.062 120.570 -0.086 0.000 2.335 141 I HA 0.116 4.286 4.170 -0.000 0.000 0.251 141 I C 0.425 176.542 176.117 -0.000 0.000 1.129 141 I CA 0.936 62.091 61.300 -0.242 0.000 1.402 141 I CB -0.140 37.590 38.000 -0.451 0.000 1.069 141 I HN 0.369 nan 8.210 nan 0.000 0.424 142 F N -0.757 119.140 119.950 -0.089 0.000 2.598 142 F HA 0.659 5.186 4.527 -0.000 0.000 0.327 142 F C 0.225 175.996 175.800 -0.048 0.000 1.057 142 F CA -0.879 57.073 58.000 -0.080 0.000 0.957 142 F CB 1.496 40.449 39.000 -0.078 0.000 1.278 142 F HN -0.138 nan 8.300 nan 0.000 0.484 143 A N 1.158 124.047 122.820 0.114 0.000 2.583 143 A HA 0.708 5.028 4.320 -0.000 0.000 0.289 143 A C -0.291 177.279 177.584 -0.023 0.000 1.151 143 A CA -0.123 51.940 52.037 0.043 0.000 0.695 143 A CB 1.413 20.432 19.000 0.031 0.000 1.290 143 A HN 0.985 nan 8.150 nan 0.000 0.419 144 S N -1.048 114.621 115.700 -0.052 0.000 3.633 144 S HA -0.141 4.329 4.470 -0.000 0.000 0.637 144 S C -0.120 174.432 174.600 -0.080 0.000 2.289 144 S CA 0.308 58.424 58.200 -0.140 0.000 2.476 144 S CB -1.334 61.816 63.200 -0.084 0.000 0.330 144 S HN 1.357 nan 8.310 nan 0.000 1.787 145 H N 1.503 120.644 119.070 0.118 0.000 2.871 145 H HA 0.106 4.662 4.556 -0.000 0.000 0.355 145 H C 0.734 176.218 175.328 0.260 0.000 1.092 145 H CA 0.488 56.621 56.048 0.143 0.000 1.420 145 H CB 0.141 29.959 29.762 0.093 0.000 1.400 145 H HN 0.515 nan 8.280 nan 0.000 0.604 146 D N 2.080 122.690 120.400 0.350 0.000 2.319 146 D HA 0.038 4.678 4.640 -0.000 0.000 0.230 146 D C -0.021 176.510 176.300 0.384 0.000 1.094 146 D CA 0.588 54.806 54.000 0.364 0.000 0.856 146 D CB 0.476 41.435 40.800 0.266 0.000 0.915 146 D HN 0.384 nan 8.370 nan 0.000 0.517 147 K N 0.316 120.799 120.400 0.139 0.000 2.443 147 K HA 0.612 4.932 4.320 -0.000 0.000 0.252 147 K C -0.586 175.184 176.600 -1.384 0.000 0.933 147 K CA -0.663 55.263 56.287 -0.602 0.000 0.792 147 K CB 2.799 35.138 32.500 -0.270 0.000 1.185 147 K HN -0.144 nan 8.250 nan 0.000 0.425 148 A N 3.481 124.536 122.820 -2.943 0.000 2.332 148 A HA 0.437 4.757 4.320 -0.000 0.000 0.258 148 A C -2.241 174.426 177.584 -1.529 0.000 1.087 148 A CA -1.275 49.075 52.037 -2.812 0.000 0.802 148 A CB -0.375 16.933 19.000 -2.820 0.000 1.042 148 A HN 0.415 nan 8.150 nan 0.000 0.489 149 P HA 0.254 nan 4.420 nan 0.000 0.268 149 P C 0.819 177.654 177.300 -0.775 0.000 1.204 149 P CA 1.536 64.303 63.100 -0.555 0.000 0.768 149 P CB 0.682 32.270 31.700 -0.187 0.000 0.842 150 G N 0.734 109.046 108.800 -0.814 0.000 2.176 150 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.253 150 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.253 150 G C -0.489 174.289 174.900 -0.203 0.000 0.979 150 G CA -0.600 43.949 45.100 -0.919 0.000 0.641 150 G HN 0.336 nan 8.290 nan 0.000 0.530 151 W N 1.769 122.845 121.300 -0.373 0.000 2.266 151 W HA 0.555 5.215 4.660 -0.000 0.000 0.317 151 W C -1.786 174.636 176.519 -0.162 0.000 1.310 151 W CA -2.594 54.599 57.345 -0.253 0.000 1.207 151 W CB -0.176 29.127 29.460 -0.263 0.000 1.199 151 W HN 0.013 nan 8.180 nan 0.000 0.544 152 P HA -0.115 nan 4.420 nan 0.000 0.267 152 P C 1.249 178.531 177.300 -0.030 0.000 1.205 152 P CA -0.057 63.044 63.100 0.001 0.000 0.765 152 P CB 0.308 31.956 31.700 -0.086 0.000 0.828 153 W N 5.608 126.906 121.300 -0.002 0.000 2.350 153 W HA -0.234 4.425 4.660 -0.000 0.000 0.289 153 W C 0.667 177.176 176.519 -0.017 0.000 1.215 153 W CA 1.540 58.879 57.345 -0.011 0.000 1.236 153 W CB -1.640 27.807 29.460 -0.023 0.000 1.130 153 W HN 0.410 nan 8.180 nan 0.000 0.541 154 N N 0.391 118.150 118.700 -1.569 0.000 2.459 154 N HA -0.176 4.564 4.740 -0.000 0.000 0.181 154 N C 0.880 175.948 175.510 -0.737 0.000 1.046 154 N CA 1.622 53.647 53.050 -1.708 0.000 0.904 154 N CB -0.614 37.064 38.487 -1.348 0.000 0.964 154 N HN -0.074 nan 8.380 nan 0.000 0.444 155 D N -0.393 119.714 120.400 -0.489 0.000 2.339 155 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 155 D C 1.088 177.139 176.300 -0.414 0.000 1.050 155 D CA 0.096 53.853 54.000 -0.405 0.000 0.856 155 D CB 0.089 40.678 40.800 -0.352 0.000 0.922 155 D HN 0.268 nan 8.370 nan 0.000 0.518 156 M N 0.485 119.931 119.600 -0.258 0.000 2.460 156 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 156 M C 1.673 177.922 176.300 -0.085 0.000 1.071 156 M CA 1.094 56.322 55.300 -0.119 0.000 1.096 156 M CB -0.266 32.357 32.600 0.038 0.000 1.408 156 M HN -0.050 nan 8.290 nan 0.000 0.463 157 T N -2.723 111.783 114.554 -0.081 0.000 3.107 157 T HA 0.151 4.501 4.350 -0.000 0.000 0.249 157 T C 0.692 175.385 174.700 -0.011 0.000 1.096 157 T CA -0.184 61.935 62.100 0.032 0.000 1.012 157 T CB -0.103 68.808 68.868 0.073 0.000 0.977 157 T HN 0.221 nan 8.240 nan 0.000 0.527 158 Q N 0.257 119.924 119.800 -0.221 0.000 2.259 158 Q HA 0.273 4.613 4.340 -0.000 0.000 0.249 158 Q C 0.898 176.670 176.000 -0.379 0.000 0.914 158 Q CA -0.301 55.310 55.803 -0.321 0.000 0.904 158 Q CB 1.399 29.794 28.738 -0.573 0.000 1.213 158 Q HN 0.298 nan 8.270 nan 0.000 0.428 159 c N 1.534 119.992 118.600 -0.236 0.000 2.411 159 c HA -0.179 4.391 4.570 -0.000 0.000 0.279 159 c C 2.302 176.301 174.090 -0.151 0.000 1.288 159 c CA 0.637 56.864 56.329 -0.169 0.000 1.764 159 c CB -1.301 41.135 42.510 -0.123 0.000 1.974 159 c HN 0.924 nan 8.230 nan 0.000 0.498 160 F N 0.716 120.589 119.950 -0.128 0.000 2.451 160 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 160 F C 1.806 177.485 175.800 -0.202 0.000 1.101 160 F CA 1.323 59.234 58.000 -0.147 0.000 1.436 160 F CB -0.641 38.265 39.000 -0.156 0.000 1.074 160 F HN 0.111 nan 8.300 nan 0.000 0.553 161 S N 0.262 115.497 115.700 -0.775 0.000 2.741 161 S HA 0.628 5.098 4.470 -0.000 0.000 0.247 161 S C 0.438 174.835 174.600 -0.339 0.000 1.050 161 S CA -0.262 57.534 58.200 -0.674 0.000 1.025 161 S CB -1.044 61.598 63.200 -0.929 0.000 0.897 161 S HN 0.537 nan 8.310 nan 0.000 0.508 162 A N 2.865 125.574 122.820 -0.186 0.000 2.520 162 A HA 0.447 4.767 4.320 -0.000 0.000 0.245 162 A C -2.487 175.162 177.584 0.108 0.000 1.072 162 A CA -0.841 51.177 52.037 -0.032 0.000 0.761 162 A CB -0.385 18.605 19.000 -0.015 0.000 1.004 162 A HN 0.382 nan 8.150 nan 0.000 0.499 163 P HA 0.061 nan 4.420 nan 0.000 0.256 163 P C -2.312 175.166 177.300 0.297 0.000 1.173 163 P CA -0.342 62.953 63.100 0.324 0.000 0.768 163 P CB 0.102 31.945 31.700 0.239 0.000 0.758 164 P HA 0.138 nan 4.420 nan 0.000 0.231 164 P C -0.241 177.260 177.300 0.335 0.000 1.811 164 P CA 0.024 63.328 63.100 0.339 0.000 1.051 164 P CB -0.025 31.930 31.700 0.426 0.000 1.951 165 A N 2.538 125.515 122.820 0.261 0.000 2.296 165 A HA 0.500 4.820 4.320 -0.000 0.000 0.264 165 A C 1.769 179.493 177.584 0.234 0.000 1.097 165 A CA 0.175 52.364 52.037 0.253 0.000 0.811 165 A CB 0.058 19.145 19.000 0.145 0.000 1.072 165 A HN 0.348 nan 8.150 nan 0.000 0.495 166 A N 0.013 122.939 122.820 0.177 0.000 1.969 166 A HA 0.339 4.659 4.320 -0.000 0.000 0.218 166 A C 1.390 178.960 177.584 -0.023 0.000 1.169 166 A CA 1.632 53.613 52.037 -0.093 0.000 0.635 166 A CB -0.686 18.208 19.000 -0.177 0.000 0.810 166 A HN 1.858 nan 8.150 nan 0.000 0.445 167 A N 0.153 122.915 122.820 -0.097 0.000 2.366 167 A HA 0.630 4.949 4.320 -0.000 0.000 0.322 167 A C -0.408 177.100 177.584 -0.126 0.000 1.397 167 A CA -0.287 51.541 52.037 -0.347 0.000 0.984 167 A CB -0.289 18.276 19.000 -0.725 0.000 1.149 167 A HN 0.324 nan 8.150 nan 0.000 0.540 168 I N 2.672 123.251 120.570 0.015 0.000 2.465 168 I HA 0.493 4.662 4.170 -0.000 0.000 0.291 168 I C -0.869 175.342 176.117 0.157 0.000 1.014 168 I CA -0.856 60.496 61.300 0.087 0.000 1.093 168 I CB 2.371 40.417 38.000 0.077 0.000 1.267 168 I HN 0.283 nan 8.210 nan 0.000 0.431 169 V N 4.112 124.157 119.914 0.218 0.000 2.623 169 V HA 0.310 4.430 4.120 -0.000 0.000 0.304 169 V C -0.492 175.765 176.094 0.271 0.000 1.054 169 V CA -0.784 61.663 62.300 0.244 0.000 0.882 169 V CB 1.643 33.618 31.823 0.254 0.000 1.002 169 V HN 0.831 nan 8.190 nan 0.000 0.424 170 D N 4.092 124.608 120.400 0.194 0.000 2.686 170 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 170 D C 1.105 177.504 176.300 0.166 0.000 1.160 170 D CA 1.127 55.236 54.000 0.182 0.000 0.645 170 D CB -0.452 40.489 40.800 0.234 0.000 1.039 170 D HN 0.902 nan 8.370 nan 0.000 0.423 171 R N -1.532 119.040 120.500 0.121 0.000 3.989 171 R HA -0.264 4.076 4.340 -0.000 0.000 0.377 171 R C 0.109 176.449 176.300 0.068 0.000 1.158 171 R CA 0.856 57.004 56.100 0.081 0.000 1.035 171 R CB -1.691 28.645 30.300 0.059 0.000 1.557 171 R HN 0.305 nan 8.270 nan 0.000 0.551 172 N N -1.295 117.458 118.700 0.090 0.000 2.727 172 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 172 N C -0.750 174.740 175.510 -0.034 0.000 1.048 172 N CA 1.536 54.574 53.050 -0.020 0.000 0.714 172 N CB -1.190 37.287 38.487 -0.016 0.000 0.959 172 N HN 0.503 nan 8.380 nan 0.000 0.544 173 c N 1.052 119.665 118.600 0.021 0.000 2.547 173 c HA 0.872 5.442 4.570 -0.000 0.000 0.313 173 c C -0.672 173.410 174.090 -0.013 0.000 1.191 173 c CA -0.878 55.424 56.329 -0.044 0.000 1.474 173 c CB 0.265 42.742 42.510 -0.056 0.000 2.081 173 c HN 0.336 nan 8.230 nan 0.000 0.476 174 F N 3.320 123.049 119.950 -0.367 0.000 2.643 174 F HA 0.878 5.405 4.527 -0.000 0.000 0.314 174 F C -0.371 175.096 175.800 -0.554 0.000 1.096 174 F CA -0.469 57.070 58.000 -0.768 0.000 0.953 174 F CB 1.201 39.400 39.000 -1.334 0.000 1.345 174 F HN 0.607 nan 8.300 nan 0.000 0.468 175 S N 0.866 116.317 115.700 -0.414 0.000 2.634 175 S HA 0.926 5.396 4.470 -0.000 0.000 0.296 175 S C -1.602 172.958 174.600 -0.067 0.000 1.104 175 S CA -0.728 57.291 58.200 -0.302 0.000 0.920 175 S CB 1.895 65.012 63.200 -0.139 0.000 1.111 175 S HN 0.919 nan 8.310 nan 0.000 0.493 176 V N 0.605 120.441 119.914 -0.131 0.000 3.087 176 V HA 0.690 4.810 4.120 -0.000 0.000 0.306 176 V C -0.829 175.229 176.094 -0.059 0.000 1.187 176 V CA -0.561 61.735 62.300 -0.007 0.000 0.999 176 V CB 2.655 34.507 31.823 0.048 0.000 1.049 176 V HN 1.025 nan 8.190 nan 0.000 0.431 177 S N 3.069 118.772 115.700 0.006 0.000 2.478 177 S HA 0.680 5.150 4.470 -0.000 0.000 0.312 177 S C -1.031 173.516 174.600 -0.088 0.000 1.094 177 S CA -0.323 57.826 58.200 -0.085 0.000 1.081 177 S CB 1.291 64.477 63.200 -0.024 0.000 1.007 177 S HN 0.539 nan 8.310 nan 0.000 0.475 178 L N 5.136 126.226 121.223 -0.221 0.000 2.280 178 L HA 0.581 4.921 4.340 -0.000 0.000 0.287 178 L C -1.783 174.852 176.870 -0.391 0.000 1.023 178 L CA -0.279 54.452 54.840 -0.182 0.000 0.819 178 L CB 0.288 42.290 42.059 -0.094 0.000 1.212 178 L HN 0.575 nan 8.230 nan 0.000 0.420 179 Y N 2.679 122.688 120.300 -0.485 0.000 2.341 179 Y HA 0.505 5.055 4.550 -0.000 0.000 0.337 179 Y C 0.791 176.347 175.900 -0.573 0.000 1.014 179 Y CA -0.429 57.267 58.100 -0.674 0.000 1.111 179 Y CB 1.660 39.269 38.460 -1.418 0.000 1.194 179 Y HN 0.708 nan 8.280 nan 0.000 0.462 180 S N 1.708 117.316 115.700 -0.152 0.000 2.580 180 S HA 0.670 5.140 4.470 -0.000 0.000 0.274 180 S C 0.160 174.807 174.600 0.079 0.000 1.329 180 S CA -0.967 57.213 58.200 -0.034 0.000 1.036 180 S CB 1.093 64.290 63.200 -0.006 0.000 0.919 180 S HN 0.817 nan 8.310 nan 0.000 0.515 181 A N 2.613 125.531 122.820 0.164 0.000 2.407 181 A HA 0.494 4.814 4.320 -0.000 0.000 0.248 181 A C -1.208 176.477 177.584 0.169 0.000 1.082 181 A CA -1.551 50.640 52.037 0.256 0.000 0.785 181 A CB -0.600 18.527 19.000 0.211 0.000 1.020 181 A HN 0.687 nan 8.150 nan 0.000 0.489 182 P HA -0.127 nan 4.420 nan 0.000 0.216 182 P C 0.293 177.638 177.300 0.076 0.000 1.150 182 P CA 1.390 64.553 63.100 0.106 0.000 0.843 182 P CB 0.160 31.915 31.700 0.090 0.000 0.787 183 K N -0.058 120.387 120.400 0.074 0.000 2.281 183 K HA 0.298 4.618 4.320 -0.000 0.000 0.272 183 K C -2.591 174.044 176.600 0.058 0.000 1.048 183 K CA -2.663 53.657 56.287 0.056 0.000 0.898 183 K CB 0.722 33.250 32.500 0.046 0.000 1.128 183 K HN -0.161 nan 8.250 nan 0.000 0.460 184 P HA -0.073 nan 4.420 nan 0.000 0.261 184 P C 0.454 177.780 177.300 0.043 0.000 1.173 184 P CA 1.239 64.365 63.100 0.044 0.000 0.760 184 P CB 0.703 32.423 31.700 0.034 0.000 0.783 185 G N 2.163 110.991 108.800 0.046 0.000 2.284 185 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.230 185 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.230 185 G C 0.089 175.021 174.900 0.054 0.000 1.021 185 G CA -0.220 44.907 45.100 0.045 0.000 0.619 185 G HN 0.508 nan 8.290 nan 0.000 0.510 186 D N 0.870 121.308 120.400 0.063 0.000 2.357 186 D HA 0.507 5.147 4.640 -0.000 0.000 0.242 186 D C 0.808 177.169 176.300 0.101 0.000 1.153 186 D CA -0.097 53.950 54.000 0.078 0.000 0.918 186 D CB 0.552 41.402 40.800 0.084 0.000 1.181 186 D HN 0.148 nan 8.370 nan 0.000 0.435 187 M N 1.469 121.138 119.600 0.115 0.000 2.217 187 M HA 0.267 4.747 4.480 -0.000 0.000 0.352 187 M C -0.106 176.314 176.300 0.200 0.000 1.376 187 M CA -0.431 54.951 55.300 0.136 0.000 1.107 187 M CB 0.542 33.220 32.600 0.131 0.000 1.723 187 M HN 0.384 nan 8.290 nan 0.000 0.461 188 A N 4.989 127.904 122.820 0.159 0.000 2.466 188 A HA 0.459 4.779 4.320 -0.000 0.000 0.238 188 A C -0.552 177.163 177.584 0.218 0.000 1.074 188 A CA -0.151 51.969 52.037 0.138 0.000 0.774 188 A CB -0.300 18.727 19.000 0.045 0.000 1.015 188 A HN 0.787 nan 8.150 nan 0.000 0.498 189 F N -0.661 119.369 119.950 0.134 0.000 2.577 189 F HA 0.804 5.331 4.527 -0.000 0.000 0.318 189 F C -0.796 175.112 175.800 0.181 0.000 1.065 189 F CA -1.517 56.557 58.000 0.124 0.000 0.929 189 F CB 1.239 40.279 39.000 0.068 0.000 1.237 189 F HN 0.322 nan 8.300 nan 0.000 0.468 190 I N 3.378 124.134 120.570 0.310 0.000 2.362 190 I HA 0.478 4.648 4.170 -0.000 0.000 0.289 190 I C -0.554 175.711 176.117 0.247 0.000 0.994 190 I CA -0.856 60.576 61.300 0.220 0.000 1.158 190 I CB 1.450 39.551 38.000 0.169 0.000 1.315 190 I HN 0.487 nan 8.210 nan 0.000 0.451 191 R N 4.721 125.380 120.500 0.266 0.000 2.346 191 R HA 0.713 5.052 4.340 -0.000 0.000 0.311 191 R C -1.088 175.305 176.300 0.156 0.000 0.983 191 R CA -0.840 55.390 56.100 0.217 0.000 0.880 191 R CB 1.685 32.159 30.300 0.291 0.000 1.100 191 R HN 0.421 nan 8.270 nan 0.000 0.453 192 V N 1.482 121.461 119.914 0.108 0.000 2.888 192 V HA 0.761 4.881 4.120 -0.000 0.000 0.309 192 V C -0.738 175.361 176.094 0.008 0.000 1.114 192 V CA -0.955 61.411 62.300 0.109 0.000 0.940 192 V CB 2.138 34.050 31.823 0.148 0.000 1.021 192 V HN 0.919 nan 8.190 nan 0.000 0.426 193 A N 4.034 126.808 122.820 -0.076 0.000 2.540 193 A HA 0.377 4.696 4.320 -0.000 0.000 0.239 193 A C 1.484 178.783 177.584 -0.474 0.000 1.061 193 A CA 0.651 52.409 52.037 -0.464 0.000 0.758 193 A CB 0.313 18.595 19.000 -1.197 0.000 0.991 193 A HN 1.926 nan 8.150 nan 0.000 0.502 194 S N 1.681 117.165 115.700 -0.360 0.000 2.440 194 S HA -0.241 4.228 4.470 -0.000 0.000 0.238 194 S C 1.273 175.707 174.600 -0.277 0.000 1.010 194 S CA 1.680 59.742 58.200 -0.229 0.000 0.972 194 S CB -0.877 62.246 63.200 -0.128 0.000 0.774 194 S HN 1.025 nan 8.310 nan 0.000 0.501 195 Y N -1.054 119.076 120.300 -0.283 0.000 2.529 195 Y HA 0.446 4.996 4.550 -0.000 0.000 0.290 195 Y C -0.086 175.605 175.900 -0.348 0.000 1.177 195 Y CA -1.149 56.711 58.100 -0.399 0.000 1.305 195 Y CB -0.739 37.470 38.460 -0.419 0.000 1.047 195 Y HN 0.112 nan 8.280 nan 0.000 0.522 196 Y N 4.178 124.395 120.300 -0.138 0.000 2.404 196 Y HA 0.346 4.896 4.550 -0.000 0.000 0.344 196 Y C -2.231 173.596 175.900 -0.121 0.000 0.970 196 Y CA -4.219 53.846 58.100 -0.058 0.000 1.180 196 Y CB 0.797 39.219 38.460 -0.063 0.000 1.138 196 Y HN 0.013 nan 8.280 nan 0.000 0.510 197 P HA 0.086 nan 4.420 nan 0.000 0.230 197 P C -0.611 176.729 177.300 0.066 0.000 1.791 197 P CA 0.193 63.285 63.100 -0.014 0.000 1.020 197 P CB -0.151 31.482 31.700 -0.112 0.000 1.977 198 V N -1.133 118.774 119.914 -0.011 0.000 3.126 198 V HA 0.790 4.910 4.120 -0.000 0.000 0.314 198 V C -0.380 175.705 176.094 -0.015 0.000 1.138 198 V CA -0.790 61.482 62.300 -0.047 0.000 1.034 198 V CB 2.011 33.579 31.823 -0.424 0.000 1.075 198 V HN 0.049 nan 8.190 nan 0.000 0.442 199 T N 4.594 119.176 114.554 0.047 0.000 2.847 199 T HA 0.620 4.970 4.350 -0.000 0.000 0.291 199 T C -0.499 174.151 174.700 -0.084 0.000 0.998 199 T CA -0.365 61.696 62.100 -0.066 0.000 0.967 199 T CB 1.008 69.856 68.868 -0.033 0.000 0.954 199 T HN 0.642 nan 8.240 nan 0.000 0.441 200 M N 3.774 123.252 119.600 -0.204 0.000 2.300 200 M HA 0.558 5.038 4.480 -0.000 0.000 0.348 200 M C -1.011 175.076 176.300 -0.355 0.000 1.151 200 M CA -0.807 54.442 55.300 -0.084 0.000 1.046 200 M CB 0.696 33.322 32.600 0.044 0.000 1.647 200 M HN 0.470 nan 8.290 nan 0.000 0.451 201 F N 0.169 120.196 119.950 0.129 0.000 2.532 201 F HA 0.495 5.021 4.527 -0.000 0.000 0.321 201 F C 0.463 176.326 175.800 0.104 0.000 1.089 201 F CA -0.737 57.324 58.000 0.102 0.000 0.926 201 F CB 2.022 41.068 39.000 0.077 0.000 1.168 201 F HN 0.489 nan 8.300 nan 0.000 0.459 202 S N 1.585 117.453 115.700 0.281 0.000 2.449 202 S HA 0.369 4.839 4.470 -0.000 0.000 0.310 202 S C -0.298 174.407 174.600 0.174 0.000 1.096 202 S CA -0.411 57.912 58.200 0.205 0.000 1.095 202 S CB 0.984 64.295 63.200 0.184 0.000 1.007 202 S HN 0.781 nan 8.310 nan 0.000 0.474 203 Q N 3.041 122.923 119.800 0.137 0.000 2.165 203 Q HA 0.290 4.630 4.340 -0.000 0.000 0.245 203 Q C -0.802 175.250 176.000 0.087 0.000 0.841 203 Q CA -0.198 55.664 55.803 0.099 0.000 1.078 203 Q CB 1.137 29.919 28.738 0.073 0.000 1.169 203 Q HN 0.527 nan 8.270 nan 0.000 0.475 204 V N 1.657 121.628 119.914 0.096 0.000 2.455 204 V HA 0.212 4.332 4.120 -0.000 0.000 0.273 204 V C 0.377 176.517 176.094 0.077 0.000 1.045 204 V CA -0.156 62.192 62.300 0.080 0.000 0.976 204 V CB 0.928 32.798 31.823 0.078 0.000 0.993 204 V HN 0.258 nan 8.190 nan 0.000 0.475 205 R N 2.695 123.232 120.500 0.063 0.000 2.308 205 R HA 0.395 4.735 4.340 -0.000 0.000 0.305 205 R C -0.034 176.298 176.300 0.053 0.000 1.053 205 R CA -0.367 55.769 56.100 0.059 0.000 0.957 205 R CB 1.045 31.375 30.300 0.050 0.000 1.022 205 R HN 0.675 nan 8.270 nan 0.000 0.461 206 T N 4.777 119.366 114.554 0.058 0.000 2.794 206 T HA 0.262 4.612 4.350 -0.000 0.000 0.296 206 T C 0.265 174.989 174.700 0.040 0.000 0.949 206 T CA -0.294 61.836 62.100 0.049 0.000 1.101 206 T CB 0.393 69.299 68.868 0.065 0.000 0.905 206 T HN 0.221 nan 8.240 nan 0.000 0.516 207 L N 5.598 126.838 121.223 0.030 0.000 2.343 207 L HA 0.454 4.794 4.340 -0.000 0.000 0.275 207 L C -2.091 174.792 176.870 0.022 0.000 1.056 207 L CA -2.617 52.238 54.840 0.025 0.000 0.804 207 L CB 1.057 43.128 42.059 0.019 0.000 1.203 207 L HN 0.339 nan 8.230 nan 0.000 0.440 208 P HA 0.159 nan 4.420 nan 0.000 0.272 208 P C -0.087 177.220 177.300 0.011 0.000 1.223 208 P CA -0.397 62.714 63.100 0.017 0.000 0.784 208 P CB 0.600 32.311 31.700 0.017 0.000 0.923 209 R N 1.577 122.082 120.500 0.009 0.000 2.211 209 R HA -0.082 4.258 4.340 -0.000 0.000 0.240 209 R C 2.149 178.449 176.300 0.000 0.000 1.144 209 R CA 1.863 57.965 56.100 0.003 0.000 0.992 209 R CB -1.189 29.112 30.300 0.002 0.000 0.869 209 R HN 0.655 nan 8.270 nan 0.000 0.462 210 G N -0.858 107.944 108.800 0.004 0.000 2.880 210 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.209 210 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.209 210 G C 0.180 175.081 174.900 0.002 0.000 1.157 210 G CA -0.254 44.847 45.100 0.002 0.000 0.779 210 G HN 0.243 nan 8.290 nan 0.000 0.539 211 S N 0.302 116.005 115.700 0.005 0.000 2.563 211 S HA 0.311 4.781 4.470 -0.000 0.000 0.294 211 S C 1.829 176.434 174.600 0.007 0.000 1.279 211 S CA 0.231 58.437 58.200 0.009 0.000 1.069 211 S CB 0.882 64.090 63.200 0.012 0.000 0.828 211 S HN 0.468 nan 8.310 nan 0.000 0.497 212 A N 4.387 127.216 122.820 0.014 0.000 2.070 212 A HA -0.058 4.261 4.320 -0.000 0.000 0.220 212 A C 1.872 179.472 177.584 0.027 0.000 1.159 212 A CA 1.373 53.421 52.037 0.019 0.000 0.656 212 A CB -0.426 18.590 19.000 0.027 0.000 0.800 212 A HN 0.948 nan 8.150 nan 0.000 0.453 213 E N -0.260 119.957 120.200 0.028 0.000 2.274 213 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 213 E C 2.148 178.763 176.600 0.024 0.000 0.996 213 E CA 0.555 56.978 56.400 0.039 0.000 0.840 213 E CB -0.205 29.517 29.700 0.037 0.000 0.772 213 E HN 0.657 nan 8.360 nan 0.000 0.491 214 A N 1.315 124.135 122.820 -0.000 0.000 1.972 214 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 214 A C 2.102 179.650 177.584 -0.060 0.000 1.169 214 A CA 1.435 53.459 52.037 -0.021 0.000 0.635 214 A CB -0.386 18.599 19.000 -0.026 0.000 0.810 214 A HN 0.220 nan 8.150 nan 0.000 0.446 215 Q N -1.813 117.926 119.800 -0.103 0.000 2.016 215 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 215 Q C 1.072 176.843 176.000 -0.382 0.000 0.978 215 Q CA 1.822 57.458 55.803 -0.279 0.000 0.833 215 Q CB -0.110 28.411 28.738 -0.362 0.000 0.895 215 Q HN 0.804 nan 8.270 nan 0.000 0.427 216 Y N -1.594 118.713 120.300 0.012 0.000 2.481 216 Y HA 0.220 4.770 4.550 -0.000 0.000 0.247 216 Y C 0.158 176.068 175.900 0.018 0.000 1.151 216 Y CA -0.969 57.140 58.100 0.014 0.000 1.238 216 Y CB 1.074 39.542 38.460 0.013 0.000 1.179 216 Y HN 0.123 nan 8.280 nan 0.000 0.524 217 c N 3.150 121.823 118.600 0.122 0.000 2.464 217 c HA 0.246 4.816 4.570 -0.000 0.000 0.370 217 c C 0.339 174.470 174.090 0.069 0.000 1.267 217 c CA -0.487 55.896 56.329 0.089 0.000 1.781 217 c CB -0.945 41.603 42.510 0.063 0.000 2.431 217 c HN 0.262 nan 8.230 nan 0.000 0.556 218 E N 3.130 123.376 120.200 0.077 0.000 2.318 218 E HA 0.307 4.657 4.350 -0.000 0.000 0.265 218 E C -0.706 175.929 176.600 0.058 0.000 1.069 218 E CA -0.495 55.945 56.400 0.067 0.000 0.893 218 E CB 1.409 31.157 29.700 0.079 0.000 1.076 218 E HN 0.631 nan 8.360 nan 0.000 0.414 219 L N 2.431 123.685 121.223 0.052 0.000 2.280 219 L HA 0.346 4.685 4.340 -0.000 0.000 0.287 219 L C -0.987 175.925 176.870 0.070 0.000 1.023 219 L CA -0.096 54.778 54.840 0.057 0.000 0.819 219 L CB 0.853 42.939 42.059 0.045 0.000 1.212 219 L HN 0.233 nan 8.230 nan 0.000 0.420 220 D N 3.060 123.506 120.400 0.077 0.000 2.490 220 D HA 0.450 5.090 4.640 -0.000 0.000 0.232 220 D C -1.218 175.121 176.300 0.065 0.000 1.053 220 D CA -0.209 53.839 54.000 0.081 0.000 0.914 220 D CB 2.956 43.810 40.800 0.090 0.000 1.431 220 D HN 0.322 nan 8.370 nan 0.000 0.483 221 V N 1.060 120.994 119.914 0.034 0.000 2.495 221 V HA 0.513 4.633 4.120 -0.000 0.000 0.298 221 V C -1.152 174.951 176.094 0.015 0.000 1.031 221 V CA -0.375 61.886 62.300 -0.064 0.000 0.871 221 V CB 1.605 33.192 31.823 -0.393 0.000 0.988 221 V HN 0.288 nan 8.190 nan 0.000 0.432 222 V N 9.247 129.179 119.914 0.031 0.000 2.349 222 V HA 0.467 4.586 4.120 -0.000 0.000 0.284 222 V C -2.302 173.780 176.094 -0.020 0.000 1.014 222 V CA -1.470 60.852 62.300 0.036 0.000 0.826 222 V CB 1.647 33.486 31.823 0.027 0.000 1.009 222 V HN 0.854 nan 8.190 nan 0.000 0.431 223 P HA 0.412 nan 4.420 nan 0.000 0.279 223 P C 0.043 177.198 177.300 -0.242 0.000 1.239 223 P CA 0.308 63.203 63.100 -0.341 0.000 0.789 223 P CB 1.937 33.449 31.700 -0.313 0.000 0.933 224 G N 1.351 109.973 108.800 -0.298 0.000 3.140 224 G HA2 0.357 4.317 3.960 -0.000 0.000 0.271 224 G HA3 0.357 4.317 3.960 -0.000 0.000 0.271 224 G C -0.976 173.825 174.900 -0.165 0.000 1.370 224 G CA -0.569 44.431 45.100 -0.167 0.000 1.014 224 G HN 0.328 nan 8.290 nan 0.000 0.541 225 D N -0.166 120.180 120.400 -0.089 0.000 2.368 225 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 225 D C 1.140 177.414 176.300 -0.042 0.000 1.169 225 D CA 0.297 54.263 54.000 -0.058 0.000 0.906 225 D CB 0.921 41.705 40.800 -0.027 0.000 1.187 225 D HN 0.387 nan 8.370 nan 0.000 0.435 226 L N 1.488 122.699 121.223 -0.019 0.000 3.634 226 L HA -0.328 4.012 4.340 -0.000 0.000 0.423 226 L C -0.070 176.811 176.870 0.019 0.000 1.253 226 L CA -0.062 54.787 54.840 0.016 0.000 0.885 226 L CB -1.623 40.457 42.059 0.036 0.000 1.789 226 L HN 0.542 nan 8.230 nan 0.000 0.904 227 N N -1.109 117.567 118.700 -0.040 0.000 2.735 227 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 227 N C 0.353 175.866 175.510 0.004 0.000 1.083 227 N CA 1.241 54.273 53.050 -0.029 0.000 0.703 227 N CB -0.487 38.083 38.487 0.137 0.000 1.005 227 N HN 0.516 nan 8.380 nan 0.000 0.550 228 R N -0.346 120.103 120.500 -0.086 0.000 2.441 228 R HA 0.550 4.890 4.340 -0.000 0.000 0.284 228 R C -0.174 176.036 176.300 -0.150 0.000 1.070 228 R CA 0.192 56.331 56.100 0.065 0.000 1.047 228 R CB 0.443 30.844 30.300 0.169 0.000 1.016 228 R HN 0.040 nan 8.270 nan 0.000 0.477 229 F N -0.165 119.876 119.950 0.152 0.000 2.569 229 F HA 0.389 4.916 4.527 -0.000 0.000 0.312 229 F C -0.105 175.794 175.800 0.165 0.000 1.109 229 F CA -0.666 57.384 58.000 0.083 0.000 0.919 229 F CB 2.478 41.478 39.000 -0.000 0.000 1.211 229 F HN 0.279 nan 8.300 nan 0.000 0.446 230 T N 4.476 119.186 114.554 0.260 0.000 2.792 230 T HA 0.537 4.886 4.350 -0.000 0.000 0.280 230 T C -0.832 173.952 174.700 0.140 0.000 0.990 230 T CA -0.512 61.726 62.100 0.230 0.000 0.960 230 T CB 1.070 70.013 68.868 0.126 0.000 0.939 230 T HN 0.119 nan 8.240 nan 0.000 0.439 231 L N 4.368 125.680 121.223 0.148 0.000 2.292 231 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 231 L C 0.962 177.893 176.870 0.101 0.000 1.065 231 L CA 0.007 54.912 54.840 0.108 0.000 0.806 231 L CB 0.895 43.031 42.059 0.128 0.000 1.175 231 L HN 0.897 nan 8.230 nan 0.000 0.431 232 T N -0.405 114.197 114.554 0.081 0.000 2.887 232 T HA 0.937 5.287 4.350 -0.000 0.000 0.292 232 T C 0.143 174.883 174.700 0.066 0.000 1.087 232 T CA -0.128 62.014 62.100 0.070 0.000 1.009 232 T CB 2.019 70.921 68.868 0.057 0.000 1.203 232 T HN 1.100 nan 8.240 nan 0.000 0.518 233 G N -0.284 108.551 108.800 0.059 0.000 2.475 233 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.223 233 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.223 233 G C -0.522 174.409 174.900 0.052 0.000 1.201 233 G CA -0.325 44.808 45.100 0.055 0.000 0.962 233 G HN 1.367 nan 8.290 nan 0.000 0.586 234 c N -0.811 117.817 118.600 0.047 0.000 2.634 234 c HA 0.843 5.413 4.570 -0.000 0.000 0.313 234 c C -0.330 173.778 174.090 0.029 0.000 1.198 234 c CA -0.344 56.008 56.329 0.039 0.000 1.605 234 c CB 1.018 43.549 42.510 0.035 0.000 2.196 234 c HN 1.082 nan 8.230 nan 0.000 0.486 235 L N 3.896 125.132 121.223 0.023 0.000 2.439 235 L HA 0.590 4.930 4.340 -0.000 0.000 0.270 235 L C -2.772 174.101 176.870 0.004 0.000 0.972 235 L CA -1.514 53.330 54.840 0.007 0.000 0.836 235 L CB 1.665 43.724 42.059 -0.002 0.000 1.255 235 L HN 0.406 nan 8.230 nan 0.000 0.404 236 P HA 0.061 nan 4.420 nan 0.000 0.268 236 P C -1.052 176.245 177.300 -0.006 0.000 1.205 236 P CA -0.061 63.036 63.100 -0.004 0.000 0.771 236 P CB 0.418 32.111 31.700 -0.012 0.000 0.858 237 Q N 2.580 122.382 119.800 0.003 0.000 2.304 237 Q HA -0.049 4.291 4.340 -0.000 0.000 0.315 237 Q C 0.170 176.165 176.000 -0.007 0.000 1.075 237 Q CA 0.934 56.741 55.803 0.006 0.000 0.988 237 Q CB 0.207 28.955 28.738 0.016 0.000 1.146 237 Q HN 0.389 nan 8.270 nan 0.000 0.383 238 R N 0.067 120.558 120.500 -0.015 0.000 2.740 238 R HA 0.367 4.707 4.340 -0.000 0.000 0.273 238 R C 0.334 176.622 176.300 -0.019 0.000 0.998 238 R CA -0.368 55.715 56.100 -0.028 0.000 0.900 238 R CB 0.871 31.137 30.300 -0.056 0.000 1.223 238 R HN 0.565 nan 8.270 nan 0.000 0.466 239 S N -0.356 115.334 115.700 -0.017 0.000 2.446 239 S HA 0.049 4.519 4.470 -0.000 0.000 0.225 239 S C 0.214 174.812 174.600 -0.005 0.000 1.016 239 S CA 0.283 58.483 58.200 0.001 0.000 0.943 239 S CB -0.107 63.094 63.200 0.002 0.000 0.786 239 S HN 0.609 nan 8.310 nan 0.000 0.508 240 E N 1.938 122.109 120.200 -0.049 0.000 2.277 240 E HA 0.503 4.852 4.350 -0.000 0.000 0.266 240 E C -2.901 173.570 176.600 -0.216 0.000 0.901 240 E CA -2.709 53.636 56.400 -0.091 0.000 0.782 240 E CB 1.371 31.024 29.700 -0.078 0.000 1.228 240 E HN 0.153 nan 8.360 nan 0.000 0.424 241 P HA 0.020 nan 4.420 nan 0.000 0.268 241 P C -0.229 176.838 177.300 -0.389 0.000 1.208 241 P CA -0.436 62.250 63.100 -0.689 0.000 0.777 241 P CB 0.607 31.587 31.700 -1.200 0.000 0.875 242 L N 4.767 125.787 121.223 -0.338 0.000 2.265 242 L HA 0.429 4.768 4.340 -0.000 0.000 0.288 242 L C -2.333 174.401 176.870 -0.227 0.000 1.058 242 L CA -2.289 52.417 54.840 -0.224 0.000 0.809 242 L CB 0.612 42.572 42.059 -0.166 0.000 1.179 242 L HN 0.214 nan 8.230 nan 0.000 0.429 243 P HA 0.326 nan 4.420 nan 0.000 0.285 243 P C -1.403 175.744 177.300 -0.255 0.000 1.259 243 P CA -0.208 62.770 63.100 -0.204 0.000 0.794 243 P CB 1.181 32.782 31.700 -0.165 0.000 0.940 244 L N 1.867 122.880 121.223 -0.349 0.000 2.422 244 L HA 0.758 5.098 4.340 -0.000 0.000 0.264 244 L C -0.279 176.089 176.870 -0.837 0.000 0.984 244 L CA -0.961 53.519 54.840 -0.600 0.000 0.819 244 L CB 2.378 44.032 42.059 -0.673 0.000 1.330 244 L HN 0.335 nan 8.230 nan 0.000 0.410 245 A N 2.297 124.553 122.820 -0.940 0.000 2.355 245 A HA 0.927 5.247 4.320 -0.000 0.000 0.317 245 A C -1.440 175.459 177.584 -1.142 0.000 1.094 245 A CA -0.265 51.226 52.037 -0.910 0.000 0.764 245 A CB 0.922 19.628 19.000 -0.490 0.000 1.230 245 A HN 0.440 nan 8.150 nan 0.000 0.448 246 F N 0.508 119.898 119.950 -0.934 0.000 2.588 246 F HA 0.699 5.226 4.527 -0.000 0.000 0.314 246 F C 0.589 175.967 175.800 -0.704 0.000 1.069 246 F CA -0.815 56.675 58.000 -0.849 0.000 0.931 246 F CB 2.155 40.486 39.000 -1.116 0.000 1.260 246 F HN 0.709 nan 8.300 nan 0.000 0.465 247 A N 1.481 124.259 122.820 -0.070 0.000 2.328 247 A HA 0.605 4.925 4.320 -0.000 0.000 0.284 247 A C -0.559 177.180 177.584 0.257 0.000 1.160 247 A CA -0.582 51.467 52.037 0.020 0.000 0.818 247 A CB 0.266 19.261 19.000 -0.010 0.000 1.087 247 A HN 0.566 nan 8.150 nan 0.000 0.504 248 V N 3.668 123.696 119.914 0.191 0.000 2.599 248 V HA -0.025 4.095 4.120 -0.000 0.000 0.300 248 V C 1.013 177.189 176.094 0.137 0.000 1.034 248 V CA 0.364 62.757 62.300 0.154 0.000 1.115 248 V CB 0.757 32.381 31.823 -0.332 0.000 0.934 248 V HN 1.024 nan 8.190 nan 0.000 0.485 249 Q N 2.044 121.933 119.800 0.148 0.000 2.339 249 Q HA 0.088 4.428 4.340 -0.000 0.000 0.205 249 Q C 0.514 176.546 176.000 0.052 0.000 0.925 249 Q CA 0.460 56.307 55.803 0.073 0.000 0.898 249 Q CB 0.233 28.968 28.738 -0.006 0.000 1.013 249 Q HN 0.823 nan 8.270 nan 0.000 0.504 250 D N -0.045 120.380 120.400 0.041 0.000 2.432 250 D HA 0.241 4.881 4.640 -0.000 0.000 0.265 250 D C 0.896 177.232 176.300 0.060 0.000 1.160 250 D CA -0.335 53.693 54.000 0.047 0.000 0.911 250 D CB 0.655 41.476 40.800 0.037 0.000 1.052 250 D HN 0.099 nan 8.370 nan 0.000 0.508 251 G N 2.058 110.886 108.800 0.047 0.000 2.422 251 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 251 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 251 G C 1.401 176.294 174.900 -0.012 0.000 1.146 251 G CA 0.907 46.029 45.100 0.038 0.000 0.769 251 G HN 0.540 nan 8.290 nan 0.000 0.547 252 A N 0.784 123.576 122.820 -0.046 0.000 1.902 252 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 252 A C 2.699 180.255 177.584 -0.046 0.000 1.181 252 A CA 2.232 54.204 52.037 -0.108 0.000 0.623 252 A CB -0.585 18.380 19.000 -0.057 0.000 0.818 252 A HN 0.301 nan 8.150 nan 0.000 0.443 253 S N -1.896 113.820 115.700 0.026 0.000 2.383 253 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 253 S C 1.815 176.472 174.600 0.095 0.000 1.026 253 S CA 1.315 59.548 58.200 0.055 0.000 0.981 253 S CB -0.497 62.744 63.200 0.068 0.000 0.818 253 S HN 0.670 nan 8.310 nan 0.000 0.472 254 Y N 2.342 122.629 120.300 -0.020 0.000 2.133 254 Y HA -0.088 4.462 4.550 -0.000 0.000 0.287 254 Y C 2.459 178.353 175.900 -0.009 0.000 1.134 254 Y CA 1.068 59.167 58.100 -0.001 0.000 1.133 254 Y CB -0.816 37.654 38.460 0.017 0.000 0.987 254 Y HN 0.210 nan 8.280 nan 0.000 0.502 255 A N -0.013 122.820 122.820 0.023 0.000 1.902 255 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 255 A C 2.482 180.046 177.584 -0.034 0.000 1.181 255 A CA 1.716 53.696 52.037 -0.095 0.000 0.623 255 A CB -1.714 17.020 19.000 -0.443 0.000 0.818 255 A HN 0.597 nan 8.150 nan 0.000 0.443 256 G N -0.413 108.364 108.800 -0.038 0.000 2.446 256 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.217 256 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.217 256 G C 1.752 176.651 174.900 -0.002 0.000 1.168 256 G CA 1.555 46.653 45.100 -0.004 0.000 0.771 256 G HN 0.825 nan 8.290 nan 0.000 0.551 257 A N 0.525 123.341 122.820 -0.008 0.000 1.933 257 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 257 A C 2.410 180.000 177.584 0.010 0.000 1.175 257 A CA 1.224 53.266 52.037 0.008 0.000 0.628 257 A CB -0.314 18.677 19.000 -0.016 0.000 0.814 257 A HN 0.388 nan 8.150 nan 0.000 0.444 258 I N -0.865 119.668 120.570 -0.061 0.000 2.252 258 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 258 I C 2.424 178.595 176.117 0.089 0.000 1.102 258 I CA 1.162 62.455 61.300 -0.011 0.000 1.385 258 I CB -0.225 37.722 38.000 -0.088 0.000 1.064 258 I HN 0.414 nan 8.210 nan 0.000 0.414 259 L N 1.414 122.671 121.223 0.057 0.000 2.046 259 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 259 L C 2.489 179.349 176.870 -0.017 0.000 1.077 259 L CA 1.959 56.817 54.840 0.030 0.000 0.747 259 L CB -0.723 41.350 42.059 0.023 0.000 0.896 259 L HN 0.134 nan 8.230 nan 0.000 0.432 260 K N -1.686 118.703 120.400 -0.018 0.000 2.063 260 K HA -0.298 4.022 4.320 -0.000 0.000 0.208 260 K C 2.304 179.032 176.600 0.213 0.000 1.048 260 K CA 1.978 58.273 56.287 0.014 0.000 0.928 260 K CB -0.642 31.934 32.500 0.126 0.000 0.713 260 K HN 0.445 nan 8.250 nan 0.000 0.442 261 Y N 1.947 122.299 120.300 0.087 0.000 2.097 261 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 261 Y C 2.020 177.965 175.900 0.075 0.000 1.152 261 Y CA 2.009 60.160 58.100 0.084 0.000 1.136 261 Y CB -0.082 38.401 38.460 0.039 0.000 0.975 261 Y HN 0.168 nan 8.280 nan 0.000 0.498 262 E N 0.511 120.722 120.200 0.019 0.000 2.077 262 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 262 E C 2.390 178.940 176.600 -0.082 0.000 0.989 262 E CA 1.377 57.725 56.400 -0.087 0.000 0.800 262 E CB -0.629 29.087 29.700 0.027 0.000 0.746 262 E HN 0.563 nan 8.360 nan 0.000 0.452 263 L N 0.806 122.024 121.223 -0.009 0.000 2.012 263 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 263 L C 2.554 179.497 176.870 0.122 0.000 1.073 263 L CA 1.522 56.401 54.840 0.064 0.000 0.748 263 L CB -0.402 41.692 42.059 0.057 0.000 0.891 263 L HN 0.074 nan 8.230 nan 0.000 0.431 264 K N -0.703 119.784 120.400 0.145 0.000 2.057 264 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 264 K C 2.244 178.794 176.600 -0.083 0.000 1.049 264 K CA 1.125 57.447 56.287 0.057 0.000 0.931 264 K CB -0.079 32.448 32.500 0.045 0.000 0.714 264 K HN 0.275 nan 8.250 nan 0.000 0.440 265 Q N -0.225 119.438 119.800 -0.229 0.000 2.167 265 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 265 Q C 1.822 177.750 176.000 -0.120 0.000 0.970 265 Q CA 1.276 56.931 55.803 -0.246 0.000 0.855 265 Q CB -0.094 28.386 28.738 -0.431 0.000 0.911 265 Q HN 0.290 nan 8.270 nan 0.000 0.438 266 A N -0.291 122.480 122.820 -0.082 0.000 2.238 266 A HA 0.328 4.648 4.320 -0.000 0.000 0.208 266 A C 1.403 178.978 177.584 -0.015 0.000 1.177 266 A CA 0.869 52.883 52.037 -0.039 0.000 0.804 266 A CB -0.324 18.660 19.000 -0.026 0.000 0.823 266 A HN 0.406 nan 8.150 nan 0.000 0.482 267 G N -0.707 108.085 108.800 -0.013 0.000 2.143 267 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 267 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 267 G C 0.072 174.988 174.900 0.026 0.000 0.991 267 G CA 0.332 45.430 45.100 -0.003 0.000 0.689 267 G HN 0.505 nan 8.290 nan 0.000 0.522 268 I N 2.359 122.970 120.570 0.069 0.000 2.352 268 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 268 I C 1.210 177.453 176.117 0.209 0.000 1.036 268 I CA 0.088 61.460 61.300 0.121 0.000 1.336 268 I CB 1.026 39.100 38.000 0.124 0.000 1.407 268 I HN 0.285 nan 8.210 nan 0.000 0.497 269 T N 2.404 117.041 114.554 0.137 0.000 2.944 269 T HA 0.663 5.013 4.350 -0.000 0.000 0.284 269 T C -0.893 173.946 174.700 0.233 0.000 1.010 269 T CA -0.670 61.455 62.100 0.042 0.000 1.025 269 T CB 1.532 70.352 68.868 -0.080 0.000 1.079 269 T HN 0.669 nan 8.240 nan 0.000 0.516 270 W N -0.210 121.089 121.300 -0.001 0.000 3.167 270 W HA 0.611 5.271 4.660 -0.000 0.000 0.324 270 W C 0.404 176.926 176.519 0.005 0.000 1.230 270 W CA -0.489 56.858 57.345 0.003 0.000 1.184 270 W CB 0.916 30.380 29.460 0.006 0.000 1.414 270 W HN 0.691 nan 8.180 nan 0.000 0.551 271 S N 0.432 116.218 115.700 0.144 0.000 2.502 271 S HA 0.389 4.859 4.470 -0.000 0.000 0.215 271 S C 0.830 175.496 174.600 0.109 0.000 1.009 271 S CA 0.422 58.649 58.200 0.044 0.000 0.908 271 S CB -0.125 63.101 63.200 0.043 0.000 0.801 271 S HN 0.845 nan 8.310 nan 0.000 0.505 272 G N 1.620 110.568 108.800 0.247 0.000 2.829 272 G HA2 0.542 4.502 3.960 -0.000 0.000 0.173 272 G HA3 0.542 4.502 3.960 -0.000 0.000 0.173 272 G C -0.061 175.019 174.900 0.300 0.000 1.476 272 G CA 0.252 45.482 45.100 0.216 0.000 1.072 272 G HN 0.636 nan 8.290 nan 0.000 0.577 273 T N -2.970 111.725 114.554 0.234 0.000 2.838 273 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 273 T C -0.602 174.174 174.700 0.126 0.000 1.113 273 T CA -0.885 61.358 62.100 0.238 0.000 1.008 273 T CB 1.441 70.399 68.868 0.150 0.000 1.259 273 T HN 0.211 nan 8.240 nan 0.000 0.520 274 L N 1.737 123.020 121.223 0.100 0.000 2.319 274 L HA 0.496 4.836 4.340 -0.000 0.000 0.280 274 L C -0.509 176.378 176.870 0.027 0.000 1.099 274 L CA -0.191 54.654 54.840 0.008 0.000 0.828 274 L CB 0.312 42.376 42.059 0.009 0.000 1.150 274 L HN 0.638 nan 8.230 nan 0.000 0.442 275 L N 3.938 125.168 121.223 0.011 0.000 2.388 275 L HA 0.538 4.878 4.340 -0.000 0.000 0.264 275 L C 0.063 176.945 176.870 0.019 0.000 0.998 275 L CA -0.746 54.108 54.840 0.022 0.000 0.817 275 L CB 2.800 44.873 42.059 0.025 0.000 1.338 275 L HN 0.513 nan 8.230 nan 0.000 0.414 276 R N 1.743 122.257 120.500 0.023 0.000 2.357 276 R HA 0.267 4.607 4.340 -0.000 0.000 0.296 276 R C -0.669 175.647 176.300 0.027 0.000 1.052 276 R CA -0.298 55.817 56.100 0.025 0.000 0.988 276 R CB 1.070 31.384 30.300 0.023 0.000 1.025 276 R HN 0.622 nan 8.270 nan 0.000 0.469 277 Q N 2.299 122.118 119.800 0.033 0.000 2.357 277 Q HA 0.160 4.500 4.340 -0.000 0.000 0.266 277 Q C -0.177 175.844 176.000 0.034 0.000 1.021 277 Q CA -0.417 55.405 55.803 0.031 0.000 0.784 277 Q CB 1.482 30.238 28.738 0.030 0.000 1.243 277 Q HN 0.837 nan 8.270 nan 0.000 0.465 278 T N 0.148 114.721 114.554 0.031 0.000 3.001 278 T HA 0.208 4.558 4.350 -0.000 0.000 0.251 278 T C 0.335 175.055 174.700 0.033 0.000 1.040 278 T CA -0.124 61.996 62.100 0.033 0.000 0.985 278 T CB 0.433 69.319 68.868 0.029 0.000 1.011 278 T HN 0.387 nan 8.240 nan 0.000 0.509 279 Q N 2.533 122.350 119.800 0.029 0.000 2.222 279 Q HA 0.511 4.851 4.340 -0.000 0.000 0.252 279 Q C 0.218 176.238 176.000 0.032 0.000 0.926 279 Q CA -0.761 55.060 55.803 0.030 0.000 0.899 279 Q CB 1.844 30.597 28.738 0.024 0.000 1.250 279 Q HN 0.412 nan 8.270 nan 0.000 0.441 280 V N 0.653 120.590 119.914 0.039 0.000 2.901 280 V HA 0.362 4.482 4.120 -0.000 0.000 0.307 280 V C -0.123 175.990 176.094 0.033 0.000 1.084 280 V CA -0.367 61.958 62.300 0.043 0.000 1.184 280 V CB -0.126 31.730 31.823 0.057 0.000 0.941 280 V HN 0.983 nan 8.190 nan 0.000 0.493 281 N N 0.586 119.305 118.700 0.031 0.000 2.745 281 N HA 0.373 5.113 4.740 -0.000 0.000 0.256 281 N C -1.351 174.172 175.510 0.020 0.000 1.268 281 N CA -0.967 52.097 53.050 0.023 0.000 0.887 281 N CB 1.360 39.858 38.487 0.018 0.000 1.575 281 N HN 0.760 nan 8.380 nan 0.000 0.496 282 E N 0.410 120.619 120.200 0.016 0.000 2.392 282 E HA 0.229 4.579 4.350 -0.000 0.000 0.264 282 E C -2.203 174.401 176.600 0.007 0.000 1.024 282 E CA -1.388 55.019 56.400 0.013 0.000 0.903 282 E CB 0.132 29.838 29.700 0.010 0.000 0.963 282 E HN 0.446 nan 8.360 nan 0.000 0.432 283 P HA 0.044 nan 4.420 nan 0.000 0.271 283 P C 0.047 177.343 177.300 -0.007 0.000 1.218 283 P CA -0.108 62.989 63.100 -0.004 0.000 0.780 283 P CB 0.755 32.451 31.700 -0.006 0.000 0.901 284 G N 0.950 109.742 108.800 -0.012 0.000 2.508 284 G HA2 0.255 4.215 3.960 -0.000 0.000 0.278 284 G HA3 0.255 4.215 3.960 -0.000 0.000 0.278 284 G C -0.592 174.298 174.900 -0.016 0.000 1.389 284 G CA -0.375 44.717 45.100 -0.013 0.000 1.050 284 G HN 0.398 nan 8.290 nan 0.000 0.522 285 T N 0.472 115.016 114.554 -0.017 0.000 2.779 285 T HA 0.280 4.630 4.350 -0.000 0.000 0.296 285 T C 0.349 175.033 174.700 -0.026 0.000 0.938 285 T CA -0.172 61.917 62.100 -0.018 0.000 1.119 285 T CB 1.028 69.887 68.868 -0.015 0.000 0.891 285 T HN 0.240 nan 8.240 nan 0.000 0.526 286 V N 5.922 125.818 119.914 -0.029 0.000 2.415 286 V HA 0.054 4.174 4.120 -0.000 0.000 0.267 286 V C 1.455 177.527 176.094 -0.036 0.000 1.042 286 V CA 0.068 62.345 62.300 -0.039 0.000 1.000 286 V CB 0.554 32.352 31.823 -0.041 0.000 1.015 286 V HN 0.897 nan 8.190 nan 0.000 0.478 287 V N 2.287 122.176 119.914 -0.041 0.000 3.125 287 V HA 0.670 4.790 4.120 -0.000 0.000 0.249 287 V C 0.719 176.789 176.094 -0.041 0.000 1.113 287 V CA 0.807 63.085 62.300 -0.036 0.000 1.106 287 V CB 0.055 31.859 31.823 -0.032 0.000 0.768 287 V HN 0.833 nan 8.190 nan 0.000 0.468 288 A N 0.313 123.101 122.820 -0.053 0.000 2.587 288 A HA 0.903 5.223 4.320 -0.000 0.000 0.293 288 A C -0.429 177.112 177.584 -0.071 0.000 1.087 288 A CA 0.202 52.205 52.037 -0.057 0.000 0.692 288 A CB 1.793 20.758 19.000 -0.058 0.000 1.291 288 A HN 1.247 nan 8.150 nan 0.000 0.407 289 S N 0.192 115.853 115.700 -0.066 0.000 2.588 289 S HA 0.835 5.305 4.470 -0.000 0.000 0.269 289 S C -1.222 173.339 174.600 -0.064 0.000 1.157 289 S CA -0.755 57.399 58.200 -0.075 0.000 0.824 289 S CB 1.910 65.070 63.200 -0.068 0.000 1.126 289 S HN 1.188 nan 8.310 nan 0.000 0.464 290 K N 0.734 121.094 120.400 -0.067 0.000 2.513 290 K HA 0.471 4.791 4.320 -0.000 0.000 0.251 290 K C -1.531 175.045 176.600 -0.039 0.000 0.939 290 K CA -0.158 56.102 56.287 -0.045 0.000 0.793 290 K CB 1.914 34.392 32.500 -0.038 0.000 1.241 290 K HN 0.780 nan 8.250 nan 0.000 0.431 291 Q N 1.732 121.513 119.800 -0.031 0.000 2.309 291 Q HA 0.392 4.732 4.340 -0.000 0.000 0.264 291 Q C -0.371 175.633 176.000 0.007 0.000 1.008 291 Q CA -1.032 54.753 55.803 -0.029 0.000 0.853 291 Q CB 1.918 30.618 28.738 -0.063 0.000 1.314 291 Q HN 0.877 nan 8.270 nan 0.000 0.448 292 S N 0.814 116.544 115.700 0.050 0.000 2.606 292 S HA 0.463 4.933 4.470 -0.000 0.000 0.257 292 S C 0.376 175.016 174.600 0.066 0.000 1.327 292 S CA -0.516 57.739 58.200 0.092 0.000 0.984 292 S CB 0.663 63.998 63.200 0.224 0.000 0.941 292 S HN 0.703 nan 8.310 nan 0.000 0.576 293 A N 1.548 124.416 122.820 0.080 0.000 2.536 293 A HA 0.449 4.769 4.320 -0.000 0.000 0.234 293 A C -2.223 175.419 177.584 0.097 0.000 1.076 293 A CA -0.946 51.136 52.037 0.076 0.000 0.769 293 A CB -1.243 17.805 19.000 0.080 0.000 1.020 293 A HN 0.731 nan 8.150 nan 0.000 0.508 294 P HA 0.048 nan 4.420 nan 0.000 0.269 294 P C 0.955 178.353 177.300 0.163 0.000 1.215 294 P CA -0.430 62.729 63.100 0.098 0.000 0.780 294 P CB 0.373 32.127 31.700 0.089 0.000 0.898 295 L N 2.275 123.619 121.223 0.201 0.000 2.083 295 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 295 L C 2.217 179.193 176.870 0.176 0.000 1.083 295 L CA 1.953 56.937 54.840 0.240 0.000 0.752 295 L CB -1.445 40.772 42.059 0.264 0.000 0.899 295 L HN 0.493 nan 8.230 nan 0.000 0.433 296 H N -0.524 118.599 119.070 0.089 0.000 2.387 296 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 296 H C 1.550 176.901 175.328 0.039 0.000 1.099 296 H CA 1.963 58.040 56.048 0.049 0.000 1.315 296 H CB 0.178 29.962 29.762 0.037 0.000 1.380 296 H HN 0.416 nan 8.280 nan 0.000 0.513 297 D N 0.386 120.894 120.400 0.180 0.000 2.117 297 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 297 D C 2.622 178.965 176.300 0.071 0.000 0.982 297 D CA 0.546 54.619 54.000 0.122 0.000 0.828 297 D CB -0.298 40.569 40.800 0.112 0.000 0.967 297 D HN 0.364 nan 8.370 nan 0.000 0.464 298 L N 0.155 121.439 121.223 0.101 0.000 2.093 298 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 298 L C 2.448 179.352 176.870 0.056 0.000 1.085 298 L CA 0.615 55.520 54.840 0.108 0.000 0.755 298 L CB -0.359 41.826 42.059 0.210 0.000 0.904 298 L HN 0.049 nan 8.230 nan 0.000 0.435 299 L N -0.115 121.109 121.223 0.002 0.000 2.141 299 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 299 L C 2.679 179.458 176.870 -0.152 0.000 1.094 299 L CA 1.120 55.910 54.840 -0.084 0.000 0.763 299 L CB -0.453 41.502 42.059 -0.173 0.000 0.908 299 L HN 0.262 nan 8.230 nan 0.000 0.437 300 K N 1.082 121.382 120.400 -0.167 0.000 2.026 300 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 300 K C 2.104 178.674 176.600 -0.050 0.000 1.048 300 K CA 1.470 57.681 56.287 -0.126 0.000 0.929 300 K CB -0.105 32.355 32.500 -0.067 0.000 0.713 300 K HN 0.161 nan 8.250 nan 0.000 0.439 301 I N 1.107 121.670 120.570 -0.012 0.000 2.208 301 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 301 I C 2.691 178.811 176.117 0.004 0.000 1.097 301 I CA 1.431 62.736 61.300 0.008 0.000 1.363 301 I CB -0.228 37.788 38.000 0.027 0.000 1.051 301 I HN 0.395 nan 8.210 nan 0.000 0.413 302 M N 0.569 120.171 119.600 0.004 0.000 2.086 302 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 302 M C 2.254 178.554 176.300 0.000 0.000 1.067 302 M CA 2.003 57.312 55.300 0.015 0.000 1.116 302 M CB -0.020 32.600 32.600 0.033 0.000 1.348 302 M HN 0.198 nan 8.290 nan 0.000 0.407 303 L N -0.183 121.022 121.223 -0.030 0.000 2.131 303 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 303 L C 2.535 179.400 176.870 -0.008 0.000 1.087 303 L CA 0.708 55.532 54.840 -0.027 0.000 0.767 303 L CB -0.614 41.396 42.059 -0.082 0.000 0.917 303 L HN 0.193 nan 8.230 nan 0.000 0.441 304 K N 0.185 120.579 120.400 -0.011 0.000 2.103 304 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 304 K C 1.591 178.197 176.600 0.009 0.000 1.052 304 K CA 1.012 57.303 56.287 0.006 0.000 0.945 304 K CB 0.030 32.536 32.500 0.009 0.000 0.722 304 K HN 0.164 nan 8.250 nan 0.000 0.443 305 K N -0.087 120.316 120.400 0.005 0.000 2.374 305 K HA 0.101 4.421 4.320 -0.000 0.000 0.202 305 K C 0.194 176.791 176.600 -0.005 0.000 1.040 305 K CA -0.096 56.193 56.287 0.002 0.000 1.085 305 K CB 0.677 33.180 32.500 0.006 0.000 0.873 305 K HN -0.056 nan 8.250 nan 0.000 0.539 306 S N 2.541 118.240 115.700 -0.002 0.000 3.711 306 S HA -0.156 4.314 4.470 -0.000 0.000 0.374 306 S C -0.418 174.182 174.600 -0.001 0.000 0.969 306 S CA 0.403 58.599 58.200 -0.005 0.000 1.198 306 S CB -1.215 61.968 63.200 -0.028 0.000 0.903 306 S HN 0.403 nan 8.310 nan 0.000 0.493 307 D N 1.205 121.614 120.400 0.016 0.000 2.352 307 D HA 0.215 4.855 4.640 -0.000 0.000 0.245 307 D C 1.300 177.626 176.300 0.043 0.000 1.224 307 D CA -0.364 53.653 54.000 0.028 0.000 0.879 307 D CB 0.312 41.132 40.800 0.034 0.000 1.057 307 D HN 0.401 nan 8.370 nan 0.000 0.491 308 N N 3.620 122.341 118.700 0.036 0.000 2.244 308 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 308 N C 1.551 177.117 175.510 0.094 0.000 1.016 308 N CA 0.673 53.748 53.050 0.041 0.000 0.866 308 N CB -0.164 38.315 38.487 -0.014 0.000 0.980 308 N HN 0.563 nan 8.380 nan 0.000 0.430 309 M N 0.287 119.937 119.600 0.084 0.000 2.156 309 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 309 M C 1.732 178.102 176.300 0.116 0.000 1.067 309 M CA 1.102 56.469 55.300 0.112 0.000 1.131 309 M CB 0.098 32.743 32.600 0.074 0.000 1.368 309 M HN -0.027 nan 8.290 nan 0.000 0.416 310 I N 0.340 120.964 120.570 0.091 0.000 2.226 310 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 310 I C 2.639 178.866 176.117 0.183 0.000 1.100 310 I CA 1.160 62.525 61.300 0.108 0.000 1.374 310 I CB -0.725 37.332 38.000 0.095 0.000 1.057 310 I HN 0.375 nan 8.210 nan 0.000 0.413 311 A N 0.539 123.460 122.820 0.169 0.000 1.883 311 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 311 A C 1.964 179.723 177.584 0.292 0.000 1.186 311 A CA 2.252 54.411 52.037 0.203 0.000 0.624 311 A CB -0.544 18.547 19.000 0.151 0.000 0.822 311 A HN 0.364 nan 8.150 nan 0.000 0.444 312 D N -1.050 119.539 120.400 0.314 0.000 2.249 312 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 312 D C 2.294 178.811 176.300 0.362 0.000 0.962 312 D CA 1.688 55.950 54.000 0.437 0.000 0.860 312 D CB -0.402 40.767 40.800 0.616 0.000 0.955 312 D HN 0.634 nan 8.370 nan 0.000 0.505 313 T N -1.040 113.711 114.554 0.328 0.000 2.777 313 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 313 T C 2.246 177.247 174.700 0.503 0.000 1.040 313 T CA 0.752 63.088 62.100 0.393 0.000 1.141 313 T CB -0.765 68.231 68.868 0.212 0.000 0.868 313 T HN -0.081 nan 8.240 nan 0.000 0.444 314 V N 1.032 121.230 119.914 0.474 0.000 2.332 314 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 314 V C 2.195 178.437 176.094 0.246 0.000 1.055 314 V CA 1.997 64.532 62.300 0.392 0.000 1.038 314 V CB -0.994 31.017 31.823 0.314 0.000 0.651 314 V HN 0.475 nan 8.190 nan 0.000 0.450 315 F N 1.057 121.079 119.950 0.120 0.000 2.069 315 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 315 F C 2.630 178.386 175.800 -0.074 0.000 1.113 315 F CA 1.892 59.925 58.000 0.054 0.000 1.214 315 F CB -0.253 38.836 39.000 0.147 0.000 0.978 315 F HN -0.059 nan 8.300 nan 0.000 0.474 316 R N -0.716 119.720 120.500 -0.107 0.000 2.148 316 R HA -0.148 4.192 4.340 -0.000 0.000 0.223 316 R C 2.093 178.294 176.300 -0.166 0.000 1.088 316 R CA 1.364 57.167 56.100 -0.494 0.000 0.985 316 R CB -0.441 29.094 30.300 -1.275 0.000 0.880 316 R HN 0.342 nan 8.270 nan 0.000 0.451 317 M N 0.843 120.525 119.600 0.137 0.000 2.159 317 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 317 M C 1.777 178.046 176.300 -0.052 0.000 1.063 317 M CA 1.558 56.971 55.300 0.189 0.000 1.110 317 M CB -0.068 32.611 32.600 0.132 0.000 1.374 317 M HN 0.036 nan 8.290 nan 0.000 0.411 318 I N -0.680 119.782 120.570 -0.180 0.000 2.208 318 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 318 I C 2.346 178.277 176.117 -0.310 0.000 1.097 318 I CA 1.442 62.576 61.300 -0.275 0.000 1.363 318 I CB -1.171 36.649 38.000 -0.301 0.000 1.051 318 I HN 0.478 nan 8.210 nan 0.000 0.413 319 G N -0.356 108.266 108.800 -0.297 0.000 2.402 319 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.216 319 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.216 319 G C 1.489 176.326 174.900 -0.105 0.000 1.162 319 G CA 1.162 46.121 45.100 -0.235 0.000 0.777 319 G HN 0.445 nan 8.290 nan 0.000 0.539 320 H N 1.207 120.223 119.070 -0.090 0.000 2.319 320 H HA 0.099 4.655 4.556 -0.000 0.000 0.299 320 H C 2.613 177.911 175.328 -0.049 0.000 1.092 320 H CA 2.118 58.167 56.048 0.002 0.000 1.302 320 H CB -0.324 29.499 29.762 0.103 0.000 1.373 320 H HN 0.268 nan 8.280 nan 0.000 0.497 321 A N 0.555 123.228 122.820 -0.244 0.000 1.898 321 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 321 A C 2.494 179.885 177.584 -0.322 0.000 1.181 321 A CA 1.592 53.447 52.037 -0.303 0.000 0.620 321 A CB -0.657 18.206 19.000 -0.229 0.000 0.819 321 A HN 0.502 nan 8.150 nan 0.000 0.442 322 R N -1.943 118.302 120.500 -0.425 0.000 2.090 322 R HA -0.048 4.291 4.340 -0.000 0.000 0.228 322 R C 0.850 176.850 176.300 -0.501 0.000 1.110 322 R CA 1.627 57.379 56.100 -0.580 0.000 0.973 322 R CB -0.170 29.556 30.300 -0.957 0.000 0.869 322 R HN 0.480 nan 8.270 nan 0.000 0.440 323 F N 0.444 120.321 119.950 -0.122 0.000 2.678 323 F HA 0.303 4.830 4.527 -0.000 0.000 0.305 323 F C 0.119 175.856 175.800 -0.104 0.000 1.090 323 F CA -0.685 57.259 58.000 -0.094 0.000 1.272 323 F CB 0.101 39.059 39.000 -0.070 0.000 1.060 323 F HN -0.041 nan 8.300 nan 0.000 0.576 324 N N 1.366 120.035 118.700 -0.052 0.000 2.714 324 N HA -0.146 4.594 4.740 -0.000 0.000 0.253 324 N C -0.619 174.896 175.510 0.008 0.000 1.024 324 N CA 1.026 54.011 53.050 -0.110 0.000 0.726 324 N CB -1.534 36.919 38.487 -0.057 0.000 0.908 324 N HN 0.296 nan 8.380 nan 0.000 0.542 325 V N -4.264 115.693 119.914 0.072 0.000 3.102 325 V HA 0.762 4.882 4.120 -0.000 0.000 0.312 325 V C -2.524 173.746 176.094 0.293 0.000 1.135 325 V CA -2.334 60.056 62.300 0.149 0.000 1.022 325 V CB 2.295 34.190 31.823 0.119 0.000 1.056 325 V HN -0.214 nan 8.190 nan 0.000 0.436 326 P HA 0.222 nan 4.420 nan 0.000 0.264 326 P C 0.334 177.750 177.300 0.194 0.000 1.193 326 P CA 0.800 64.039 63.100 0.232 0.000 0.763 326 P CB 0.270 32.050 31.700 0.133 0.000 0.810 327 G N 2.540 111.483 108.800 0.239 0.000 2.361 327 G HA2 0.448 4.407 3.960 -0.000 0.000 0.260 327 G HA3 0.448 4.407 3.960 -0.000 0.000 0.260 327 G C -0.059 174.664 174.900 -0.294 0.000 1.261 327 G CA -0.036 45.068 45.100 0.008 0.000 0.897 327 G HN 0.546 nan 8.290 nan 0.000 0.499 328 T N -0.786 113.602 114.554 -0.276 0.000 2.887 328 T HA 0.351 4.701 4.350 -0.000 0.000 0.292 328 T C 0.747 175.262 174.700 -0.308 0.000 1.087 328 T CA -0.974 60.930 62.100 -0.326 0.000 1.009 328 T CB 1.228 70.044 68.868 -0.087 0.000 1.203 328 T HN 0.507 nan 8.240 nan 0.000 0.518 329 W N 0.213 121.510 121.300 -0.005 0.000 2.358 329 W HA 0.065 4.725 4.660 -0.000 0.000 0.303 329 W C 2.957 179.574 176.519 0.163 0.000 1.208 329 W CA 0.818 58.241 57.345 0.129 0.000 1.274 329 W CB -0.197 29.278 29.460 0.026 0.000 1.138 329 W HN 0.694 nan 8.180 nan 0.000 0.515 330 R N 0.710 121.375 120.500 0.275 0.000 2.081 330 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 330 R C 2.264 178.644 176.300 0.134 0.000 1.131 330 R CA 1.800 58.013 56.100 0.188 0.000 0.960 330 R CB -0.597 29.773 30.300 0.116 0.000 0.856 330 R HN 0.109 nan 8.270 nan 0.000 0.436 331 A N 0.030 122.903 122.820 0.089 0.000 1.930 331 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 331 A C 2.305 179.932 177.584 0.071 0.000 1.175 331 A CA 1.523 53.647 52.037 0.145 0.000 0.627 331 A CB -1.113 17.983 19.000 0.160 0.000 0.815 331 A HN 0.578 nan 8.150 nan 0.000 0.443 332 G N -0.521 108.186 108.800 -0.154 0.000 2.446 332 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 332 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 332 G C 1.842 176.441 174.900 -0.501 0.000 1.168 332 G CA 1.337 46.034 45.100 -0.671 0.000 0.771 332 G HN 0.482 nan 8.290 nan 0.000 0.551 333 S N 0.856 116.591 115.700 0.060 0.000 2.356 333 S HA -0.111 4.359 4.470 -0.000 0.000 0.223 333 S C 2.057 176.746 174.600 0.149 0.000 1.032 333 S CA 1.462 59.831 58.200 0.282 0.000 1.005 333 S CB -0.327 63.076 63.200 0.339 0.000 0.867 333 S HN 0.349 nan 8.310 nan 0.000 0.449 334 D N 1.617 122.109 120.400 0.153 0.000 2.117 334 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 334 D C 2.137 178.571 176.300 0.224 0.000 0.987 334 D CA 1.297 55.409 54.000 0.185 0.000 0.829 334 D CB -0.502 40.415 40.800 0.195 0.000 0.961 334 D HN 0.380 nan 8.370 nan 0.000 0.460 335 A N 0.432 123.356 122.820 0.173 0.000 1.873 335 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 335 A C 2.530 180.045 177.584 -0.114 0.000 1.186 335 A CA 1.194 53.160 52.037 -0.117 0.000 0.616 335 A CB -0.744 17.989 19.000 -0.445 0.000 0.823 335 A HN 0.144 nan 8.150 nan 0.000 0.442 336 V N 0.289 120.144 119.914 -0.099 0.000 2.343 336 V HA -0.259 3.860 4.120 -0.000 0.000 0.247 336 V C 2.667 178.764 176.094 0.006 0.000 1.051 336 V CA 2.276 64.551 62.300 -0.041 0.000 1.036 336 V CB -0.838 31.016 31.823 0.051 0.000 0.654 336 V HN 0.710 nan 8.190 nan 0.000 0.451 337 R N -0.137 120.390 120.500 0.046 0.000 2.083 337 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 337 R C 2.342 178.655 176.300 0.021 0.000 1.137 337 R CA 2.065 58.193 56.100 0.047 0.000 0.951 337 R CB -0.270 30.073 30.300 0.071 0.000 0.851 337 R HN 0.576 nan 8.270 nan 0.000 0.434 338 Q N 0.109 119.927 119.800 0.030 0.000 2.084 338 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 338 Q C 2.285 178.264 176.000 -0.034 0.000 0.978 338 Q CA 1.757 57.572 55.803 0.020 0.000 0.844 338 Q CB -0.078 28.701 28.738 0.068 0.000 0.898 338 Q HN 0.453 nan 8.270 nan 0.000 0.426 339 I N 0.640 121.169 120.570 -0.070 0.000 2.179 339 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 339 I C 2.192 178.237 176.117 -0.121 0.000 1.088 339 I CA 1.144 62.381 61.300 -0.104 0.000 1.357 339 I CB -0.244 37.684 38.000 -0.120 0.000 1.051 339 I HN 0.191 nan 8.210 nan 0.000 0.409 340 L N 0.063 121.226 121.223 -0.101 0.000 2.083 340 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 340 L C 2.728 179.525 176.870 -0.123 0.000 1.083 340 L CA 1.099 55.859 54.840 -0.132 0.000 0.752 340 L CB -0.513 41.502 42.059 -0.074 0.000 0.899 340 L HN 0.212 nan 8.230 nan 0.000 0.433 341 R N 0.339 120.798 120.500 -0.069 0.000 2.062 341 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 341 R C 2.165 178.433 176.300 -0.053 0.000 1.128 341 R CA 1.627 57.699 56.100 -0.046 0.000 0.960 341 R CB -0.228 30.062 30.300 -0.016 0.000 0.855 341 R HN 0.370 nan 8.270 nan 0.000 0.432 342 Q N -1.148 118.619 119.800 -0.056 0.000 2.250 342 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 342 Q C 1.773 177.736 176.000 -0.062 0.000 0.941 342 Q CA 0.980 56.757 55.803 -0.043 0.000 0.872 342 Q CB 0.355 29.076 28.738 -0.029 0.000 0.965 342 Q HN 0.249 nan 8.270 nan 0.000 0.480 343 Q N -0.660 119.074 119.800 -0.110 0.000 2.394 343 Q HA 0.206 4.546 4.340 -0.000 0.000 0.218 343 Q C 1.042 176.885 176.000 -0.262 0.000 0.907 343 Q CA 0.981 56.702 55.803 -0.136 0.000 0.919 343 Q CB 0.696 29.352 28.738 -0.136 0.000 1.051 343 Q HN 0.282 nan 8.270 nan 0.000 0.538 344 A N -0.923 121.654 122.820 -0.405 0.000 2.431 344 A HA 0.523 4.843 4.320 -0.000 0.000 0.239 344 A C 1.234 178.615 177.584 -0.338 0.000 1.230 344 A CA 0.394 51.932 52.037 -0.832 0.000 0.928 344 A CB -0.093 18.280 19.000 -1.045 0.000 1.006 344 A HN 0.296 nan 8.150 nan 0.000 0.520 345 G N -0.681 108.036 108.800 -0.139 0.000 2.203 345 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.263 345 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.263 345 G C 0.063 174.950 174.900 -0.021 0.000 1.012 345 G CA 0.481 45.564 45.100 -0.028 0.000 0.749 345 G HN 0.917 nan 8.290 nan 0.000 0.512 346 V N 0.858 120.735 119.914 -0.061 0.000 2.334 346 V HA 0.430 4.550 4.120 -0.000 0.000 0.281 346 V C -0.177 175.905 176.094 -0.021 0.000 1.016 346 V CA -0.920 61.361 62.300 -0.032 0.000 0.832 346 V CB 1.790 33.584 31.823 -0.049 0.000 0.999 346 V HN 0.336 nan 8.190 nan 0.000 0.439 347 D N 4.746 125.146 120.400 -0.001 0.000 2.347 347 D HA 0.236 4.876 4.640 -0.000 0.000 0.235 347 D C 1.060 177.370 176.300 0.015 0.000 1.149 347 D CA -0.444 53.560 54.000 0.007 0.000 0.850 347 D CB 1.333 42.140 40.800 0.011 0.000 1.061 347 D HN 0.598 nan 8.370 nan 0.000 0.487 348 I N 1.258 121.841 120.570 0.020 0.000 3.564 348 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 348 I C 1.336 177.474 176.117 0.034 0.000 1.289 348 I CA -0.065 61.254 61.300 0.031 0.000 1.325 348 I CB -0.404 37.621 38.000 0.042 0.000 1.039 348 I HN 0.453 nan 8.210 nan 0.000 0.474 349 G N 3.211 112.028 108.800 0.028 0.000 2.660 349 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.321 349 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.321 349 G C 0.472 175.390 174.900 0.029 0.000 1.246 349 G CA 1.024 46.140 45.100 0.026 0.000 1.000 349 G HN 0.616 nan 8.290 nan 0.000 0.550 350 N N 1.126 119.842 118.700 0.028 0.000 2.449 350 N HA 0.210 4.950 4.740 -0.000 0.000 0.191 350 N C 0.444 175.974 175.510 0.033 0.000 1.161 350 N CA 0.448 53.514 53.050 0.026 0.000 0.863 350 N CB 0.084 38.583 38.487 0.020 0.000 0.980 350 N HN 0.479 nan 8.380 nan 0.000 0.458 351 T N 1.569 116.149 114.554 0.043 0.000 2.946 351 T HA 0.011 4.361 4.350 -0.000 0.000 0.312 351 T C 0.245 174.980 174.700 0.057 0.000 1.066 351 T CA 0.341 62.474 62.100 0.055 0.000 1.138 351 T CB 0.751 69.657 68.868 0.065 0.000 1.014 351 T HN 0.025 nan 8.240 nan 0.000 0.544 352 I N 3.979 124.584 120.570 0.059 0.000 2.362 352 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 352 I C 0.090 176.261 176.117 0.091 0.000 0.994 352 I CA -0.544 60.797 61.300 0.069 0.000 1.158 352 I CB 1.174 39.203 38.000 0.049 0.000 1.315 352 I HN 0.562 nan 8.210 nan 0.000 0.451 353 I N 5.398 126.042 120.570 0.124 0.000 2.354 353 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 353 I C 0.898 177.122 176.117 0.177 0.000 1.007 353 I CA -0.132 61.263 61.300 0.158 0.000 1.167 353 I CB 1.835 39.972 38.000 0.229 0.000 1.320 353 I HN 0.689 nan 8.210 nan 0.000 0.458 354 A N 4.483 127.353 122.820 0.083 0.000 2.167 354 A HA 0.203 4.523 4.320 -0.000 0.000 0.208 354 A C 0.257 177.739 177.584 -0.171 0.000 1.198 354 A CA 0.586 52.643 52.037 0.032 0.000 0.863 354 A CB 0.026 19.036 19.000 0.017 0.000 0.904 354 A HN 0.760 nan 8.150 nan 0.000 0.484 355 D N -4.417 115.743 120.400 -0.400 0.000 2.838 355 D HA 0.418 5.058 4.640 -0.000 0.000 0.334 355 D C 0.821 176.482 176.300 -1.065 0.000 1.315 355 D CA 0.257 53.732 54.000 -0.875 0.000 0.917 355 D CB 0.319 40.965 40.800 -0.257 0.000 1.435 355 D HN -0.058 nan 8.370 nan 0.000 0.517 356 G N -1.176 107.210 108.800 -0.690 0.000 2.656 356 G HA2 0.037 3.996 3.960 -0.000 0.000 0.211 356 G HA3 0.037 3.996 3.960 -0.000 0.000 0.211 356 G C 1.125 176.054 174.900 0.048 0.000 1.137 356 G CA 0.784 45.834 45.100 -0.083 0.000 0.802 356 G HN 0.551 nan 8.290 nan 0.000 0.527 357 S N -0.725 115.005 115.700 0.049 0.000 2.458 357 S HA 0.351 4.821 4.470 -0.000 0.000 0.223 357 S C 1.919 176.515 174.600 -0.007 0.000 1.019 357 S CA 1.184 59.408 58.200 0.040 0.000 0.937 357 S CB 0.053 63.268 63.200 0.026 0.000 0.788 357 S HN 1.442 nan 8.310 nan 0.000 0.511 358 G N 0.994 109.781 108.800 -0.021 0.000 2.176 358 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.232 358 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.232 358 G C 0.576 175.428 174.900 -0.081 0.000 0.986 358 G CA 0.293 45.368 45.100 -0.042 0.000 0.643 358 G HN 0.456 nan 8.290 nan 0.000 0.522 359 L N 0.900 122.044 121.223 -0.131 0.000 2.083 359 L HA 0.076 4.416 4.340 -0.000 0.000 0.209 359 L C 2.109 178.881 176.870 -0.162 0.000 1.083 359 L CA 1.368 56.026 54.840 -0.304 0.000 0.752 359 L CB -0.317 41.228 42.059 -0.857 0.000 0.899 359 L HN 0.397 nan 8.230 nan 0.000 0.433 360 S N -0.211 115.531 115.700 0.070 0.000 2.533 360 S HA 0.021 4.491 4.470 -0.000 0.000 0.282 360 S C 1.178 175.790 174.600 0.020 0.000 1.304 360 S CA -0.630 57.649 58.200 0.132 0.000 1.063 360 S CB 0.533 63.762 63.200 0.048 0.000 0.881 360 S HN 0.133 nan 8.310 nan 0.000 0.493 361 R N 3.116 123.619 120.500 0.005 0.000 2.339 361 R HA 0.061 4.401 4.340 -0.000 0.000 0.199 361 R C 1.293 177.686 176.300 0.156 0.000 1.018 361 R CA 0.889 57.017 56.100 0.046 0.000 1.036 361 R CB -0.937 29.391 30.300 0.048 0.000 0.899 361 R HN 0.781 nan 8.270 nan 0.000 0.473 362 H N -0.625 118.444 119.070 -0.002 0.000 2.512 362 H HA 0.111 4.667 4.556 -0.000 0.000 0.279 362 H C 0.003 175.326 175.328 -0.008 0.000 0.999 362 H CA -0.360 55.682 56.048 -0.010 0.000 1.283 362 H CB 0.236 29.986 29.762 -0.020 0.000 1.421 362 H HN 0.235 nan 8.280 nan 0.000 0.554 363 N N 1.749 120.514 118.700 0.109 0.000 2.412 363 N HA 0.111 4.851 4.740 -0.000 0.000 0.254 363 N C -1.008 174.519 175.510 0.027 0.000 1.232 363 N CA 0.267 53.349 53.050 0.053 0.000 0.880 363 N CB 0.955 39.451 38.487 0.016 0.000 1.076 363 N HN 0.153 nan 8.380 nan 0.000 0.458 364 L N 3.711 124.953 121.223 0.031 0.000 2.580 364 L HA 0.543 4.883 4.340 -0.000 0.000 0.266 364 L C -1.573 175.326 176.870 0.048 0.000 0.955 364 L CA -0.410 54.443 54.840 0.021 0.000 0.886 364 L CB 1.310 43.381 42.059 0.021 0.000 1.263 364 L HN 0.603 nan 8.230 nan 0.000 0.406 365 I N 2.923 123.533 120.570 0.067 0.000 2.775 365 I HA 0.629 4.799 4.170 -0.000 0.000 0.295 365 I C -0.681 175.566 176.117 0.216 0.000 1.287 365 I CA -0.392 60.987 61.300 0.131 0.000 1.029 365 I CB 2.277 40.370 38.000 0.155 0.000 1.282 365 I HN 0.679 nan 8.210 nan 0.000 0.426 366 A N 7.231 130.154 122.820 0.171 0.000 2.316 366 A HA 0.611 4.930 4.320 -0.000 0.000 0.284 366 A C -2.169 175.491 177.584 0.128 0.000 1.115 366 A CA -1.437 50.700 52.037 0.167 0.000 0.812 366 A CB 0.341 19.396 19.000 0.093 0.000 1.064 366 A HN 0.611 nan 8.150 nan 0.000 0.489 367 P HA -0.257 nan 4.420 nan 0.000 0.217 367 P C 1.614 178.876 177.300 -0.063 0.000 1.151 367 P CA 2.577 65.590 63.100 -0.146 0.000 0.849 367 P CB 0.156 31.779 31.700 -0.129 0.000 0.787 368 A N -1.374 121.444 122.820 -0.003 0.000 1.972 368 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 368 A C 2.191 179.782 177.584 0.011 0.000 1.169 368 A CA 2.336 54.377 52.037 0.006 0.000 0.635 368 A CB -1.721 17.292 19.000 0.021 0.000 0.810 368 A HN 0.181 nan 8.150 nan 0.000 0.446 369 T N -0.743 113.825 114.554 0.025 0.000 2.809 369 T HA -0.092 4.258 4.350 -0.000 0.000 0.260 369 T C 1.917 176.630 174.700 0.021 0.000 1.039 369 T CA 1.661 63.780 62.100 0.032 0.000 1.141 369 T CB -0.243 68.657 68.868 0.052 0.000 0.869 369 T HN 0.401 nan 8.240 nan 0.000 0.437 370 M N 1.274 120.882 119.600 0.013 0.000 2.149 370 M HA 0.032 4.512 4.480 -0.000 0.000 0.261 370 M C 2.086 178.351 176.300 -0.059 0.000 1.064 370 M CA 1.401 56.691 55.300 -0.017 0.000 1.102 370 M CB -0.597 31.976 32.600 -0.045 0.000 1.369 370 M HN 0.162 nan 8.290 nan 0.000 0.408 371 M N 0.083 119.645 119.600 -0.064 0.000 2.149 371 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 371 M C 1.869 178.168 176.300 -0.001 0.000 1.064 371 M CA 1.946 57.215 55.300 -0.051 0.000 1.102 371 M CB -0.500 32.083 32.600 -0.030 0.000 1.369 371 M HN 0.462 nan 8.290 nan 0.000 0.408 372 Q N -1.309 118.501 119.800 0.017 0.000 2.119 372 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 372 Q C 2.019 178.060 176.000 0.067 0.000 0.972 372 Q CA 1.667 57.498 55.803 0.047 0.000 0.847 372 Q CB -0.232 28.528 28.738 0.038 0.000 0.903 372 Q HN 0.433 nan 8.270 nan 0.000 0.433 373 V N 1.135 121.069 119.914 0.032 0.000 2.307 373 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 373 V C 2.169 178.293 176.094 0.051 0.000 1.045 373 V CA 1.540 63.857 62.300 0.028 0.000 1.024 373 V CB -0.515 31.306 31.823 -0.003 0.000 0.651 373 V HN 0.347 nan 8.190 nan 0.000 0.449 374 L N -0.533 120.695 121.223 0.007 0.000 2.046 374 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 374 L C 2.818 179.824 176.870 0.227 0.000 1.077 374 L CA 1.356 56.221 54.840 0.042 0.000 0.747 374 L CB -0.729 41.194 42.059 -0.228 0.000 0.896 374 L HN 0.337 nan 8.230 nan 0.000 0.432 375 Q N -0.629 119.265 119.800 0.157 0.000 2.096 375 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 375 Q C 2.104 178.197 176.000 0.155 0.000 0.982 375 Q CA 1.922 57.820 55.803 0.159 0.000 0.850 375 Q CB -0.587 28.220 28.738 0.116 0.000 0.901 375 Q HN 0.515 nan 8.270 nan 0.000 0.422 376 Y N 1.191 121.534 120.300 0.071 0.000 2.097 376 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 376 Y C 2.188 178.151 175.900 0.105 0.000 1.152 376 Y CA 1.525 59.682 58.100 0.096 0.000 1.136 376 Y CB -0.362 38.098 38.460 0.000 0.000 0.975 376 Y HN -0.000 nan 8.280 nan 0.000 0.498 377 I N 0.066 120.719 120.570 0.138 0.000 2.118 377 I HA -0.408 3.762 4.170 -0.000 0.000 0.241 377 I C 2.689 178.737 176.117 -0.115 0.000 1.070 377 I CA 1.490 62.754 61.300 -0.059 0.000 1.327 377 I CB -0.838 37.004 38.000 -0.263 0.000 1.034 377 I HN 0.361 nan 8.210 nan 0.000 0.405 378 A N -0.127 122.636 122.820 -0.095 0.000 1.902 378 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 378 A C 2.318 179.794 177.584 -0.180 0.000 1.181 378 A CA 1.990 53.876 52.037 -0.251 0.000 0.623 378 A CB -0.753 18.142 19.000 -0.174 0.000 0.818 378 A HN 0.564 nan 8.150 nan 0.000 0.443 379 Q N -1.407 118.304 119.800 -0.148 0.000 2.224 379 Q HA -0.190 4.150 4.340 -0.000 0.000 0.203 379 Q C 0.755 176.498 176.000 -0.430 0.000 0.970 379 Q CA 1.591 57.244 55.803 -0.250 0.000 0.865 379 Q CB -0.056 28.546 28.738 -0.226 0.000 0.922 379 Q HN 0.838 nan 8.270 nan 0.000 0.445 380 H N -0.777 118.091 119.070 -0.337 0.000 2.505 380 H HA 0.117 4.673 4.556 -0.000 0.000 0.286 380 H C 0.273 175.516 175.328 -0.142 0.000 1.072 380 H CA 0.129 56.006 56.048 -0.285 0.000 1.141 380 H CB 0.553 30.034 29.762 -0.469 0.000 1.550 380 H HN 0.312 nan 8.280 nan 0.000 0.547 381 D N 0.473 120.834 120.400 -0.065 0.000 2.178 381 D HA -0.135 4.504 4.640 -0.000 0.000 0.201 381 D C 1.361 177.666 176.300 0.009 0.000 0.980 381 D CA 1.190 55.180 54.000 -0.016 0.000 0.842 381 D CB 0.054 40.799 40.800 -0.092 0.000 0.948 381 D HN 0.431 nan 8.370 nan 0.000 0.472 382 N N -0.501 118.181 118.700 -0.030 0.000 2.309 382 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 382 N C 1.378 176.895 175.510 0.011 0.000 1.018 382 N CA 0.657 53.697 53.050 -0.018 0.000 0.876 382 N CB 0.108 38.569 38.487 -0.042 0.000 0.972 382 N HN 0.341 nan 8.380 nan 0.000 0.434 383 E N 0.589 120.809 120.200 0.034 0.000 2.060 383 E HA -0.010 4.340 4.350 -0.000 0.000 0.189 383 E C 1.743 178.405 176.600 0.103 0.000 0.974 383 E CA 0.664 57.105 56.400 0.069 0.000 0.808 383 E CB 0.116 29.879 29.700 0.106 0.000 0.768 383 E HN 0.288 nan 8.360 nan 0.000 0.453 384 L N 0.535 121.848 121.223 0.150 0.000 2.270 384 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 384 L C 0.801 177.835 176.870 0.273 0.000 1.104 384 L CA 0.144 55.126 54.840 0.237 0.000 0.804 384 L CB -0.389 41.861 42.059 0.319 0.000 0.937 384 L HN 0.256 nan 8.230 nan 0.000 0.450 385 N N -0.684 118.137 118.700 0.202 0.000 2.696 385 N HA -0.298 4.442 4.740 -0.000 0.000 0.256 385 N C 0.518 176.230 175.510 0.337 0.000 1.031 385 N CA 0.057 53.227 53.050 0.200 0.000 0.730 385 N CB -0.674 37.862 38.487 0.082 0.000 0.894 385 N HN 0.352 nan 8.380 nan 0.000 0.544 386 F N 0.693 120.721 119.950 0.129 0.000 2.343 386 F HA 0.289 4.816 4.527 -0.000 0.000 0.286 386 F C 2.016 177.862 175.800 0.077 0.000 1.057 386 F CA 0.273 58.339 58.000 0.110 0.000 1.365 386 F CB 0.061 39.125 39.000 0.107 0.000 1.114 386 F HN 0.209 nan 8.300 nan 0.000 0.545 387 I N 0.455 121.241 120.570 0.359 0.000 2.361 387 I HA -0.286 3.884 4.170 -0.000 0.000 0.251 387 I C 2.425 178.629 176.117 0.145 0.000 1.133 387 I CA 1.436 62.883 61.300 0.245 0.000 1.413 387 I CB -0.631 37.361 38.000 -0.014 0.000 1.073 387 I HN 0.261 nan 8.210 nan 0.000 0.424 388 S N 0.697 116.454 115.700 0.096 0.000 2.469 388 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 388 S C 1.880 176.501 174.600 0.035 0.000 0.998 388 S CA 0.859 59.092 58.200 0.055 0.000 0.957 388 S CB -0.371 62.863 63.200 0.057 0.000 0.764 388 S HN 0.432 nan 8.310 nan 0.000 0.514 389 M N 0.658 120.256 119.600 -0.004 0.000 2.447 389 M HA 0.256 4.736 4.480 -0.000 0.000 0.264 389 M C 0.233 176.501 176.300 -0.054 0.000 1.095 389 M CA 0.429 55.675 55.300 -0.091 0.000 1.125 389 M CB -0.366 32.047 32.600 -0.310 0.000 1.389 389 M HN 0.277 nan 8.290 nan 0.000 0.459 390 L N 1.076 122.314 121.223 0.025 0.000 2.417 390 L HA 0.205 4.545 4.340 -0.000 0.000 0.268 390 L C -2.067 174.840 176.870 0.063 0.000 1.158 390 L CA -2.038 52.846 54.840 0.073 0.000 0.819 390 L CB -0.200 41.967 42.059 0.179 0.000 1.112 390 L HN -0.246 nan 8.230 nan 0.000 0.458 391 P HA -0.048 nan 4.420 nan 0.000 0.262 391 P C -0.869 176.480 177.300 0.081 0.000 1.182 391 P CA 0.033 63.172 63.100 0.064 0.000 0.761 391 P CB 0.433 32.167 31.700 0.057 0.000 0.795 392 L N 3.972 125.248 121.223 0.089 0.000 2.287 392 L HA 0.605 4.945 4.340 -0.000 0.000 0.287 392 L C -0.173 176.807 176.870 0.184 0.000 1.022 392 L CA -0.899 53.997 54.840 0.094 0.000 0.814 392 L CB 0.694 42.741 42.059 -0.020 0.000 1.217 392 L HN 0.379 nan 8.230 nan 0.000 0.420 393 A N 3.916 126.830 122.820 0.157 0.000 2.567 393 A HA 0.444 4.764 4.320 -0.000 0.000 0.240 393 A C 1.392 179.127 177.584 0.251 0.000 1.053 393 A CA 0.676 52.800 52.037 0.145 0.000 0.755 393 A CB -0.709 18.330 19.000 0.066 0.000 0.978 393 A HN 1.989 nan 8.150 nan 0.000 0.507 394 G N 0.903 109.796 108.800 0.155 0.000 2.176 394 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.253 394 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.253 394 G C 0.406 175.204 174.900 -0.170 0.000 0.979 394 G CA 1.169 46.287 45.100 0.029 0.000 0.641 394 G HN 0.906 nan 8.290 nan 0.000 0.530 395 Y N 0.728 121.052 120.300 0.040 0.000 2.784 395 Y HA 0.403 4.953 4.550 -0.000 0.000 0.267 395 Y C 1.107 177.024 175.900 0.028 0.000 1.117 395 Y CA 0.728 58.848 58.100 0.032 0.000 1.231 395 Y CB 0.702 39.181 38.460 0.033 0.000 1.441 395 Y HN 0.474 nan 8.280 nan 0.000 0.469 396 D N -1.813 118.708 120.400 0.201 0.000 2.738 396 D HA 0.428 5.068 4.640 -0.000 0.000 0.308 396 D C 0.493 176.846 176.300 0.087 0.000 1.311 396 D CA 0.071 54.142 54.000 0.119 0.000 0.799 396 D CB 0.821 41.689 40.800 0.113 0.000 1.332 396 D HN 0.407 nan 8.370 nan 0.000 0.441 397 G N -0.257 108.579 108.800 0.058 0.000 2.601 397 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.261 397 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.261 397 G C 0.705 175.627 174.900 0.037 0.000 1.289 397 G CA 0.593 45.718 45.100 0.040 0.000 0.920 397 G HN 1.126 nan 8.290 nan 0.000 0.571 398 S N 0.001 115.717 115.700 0.027 0.000 2.607 398 S HA 0.178 4.648 4.470 -0.000 0.000 0.224 398 S C 1.757 176.372 174.600 0.024 0.000 0.969 398 S CA 1.152 59.363 58.200 0.018 0.000 0.927 398 S CB -0.027 63.176 63.200 0.005 0.000 0.772 398 S HN 0.520 nan 8.310 nan 0.000 0.533 399 L N 0.777 122.024 121.223 0.039 0.000 2.769 399 L HA 0.255 4.595 4.340 -0.000 0.000 0.240 399 L C 2.137 179.040 176.870 0.055 0.000 1.163 399 L CA 0.002 54.863 54.840 0.035 0.000 0.962 399 L CB -0.211 41.873 42.059 0.043 0.000 1.258 399 L HN 0.253 nan 8.230 nan 0.000 0.513 400 Q N 1.074 120.915 119.800 0.070 0.000 2.096 400 Q HA -0.226 4.113 4.340 -0.000 0.000 0.208 400 Q C -0.056 176.011 176.000 0.111 0.000 0.993 400 Q CA 1.861 57.712 55.803 0.079 0.000 0.862 400 Q CB 0.182 28.957 28.738 0.061 0.000 0.915 400 Q HN 0.409 nan 8.270 nan 0.000 0.416 401 Y N -0.195 120.081 120.300 -0.040 0.000 2.344 401 Y HA 0.399 4.949 4.550 -0.000 0.000 0.328 401 Y C -1.559 174.325 175.900 -0.027 0.000 1.067 401 Y CA -1.062 56.999 58.100 -0.065 0.000 1.247 401 Y CB 0.988 39.382 38.460 -0.112 0.000 1.113 401 Y HN -0.098 nan 8.280 nan 0.000 0.465 402 R N 4.606 124.848 120.500 -0.429 0.000 2.320 402 R HA 0.628 4.968 4.340 -0.000 0.000 0.319 402 R C 0.657 176.623 176.300 -0.557 0.000 0.969 402 R CA 0.453 56.323 56.100 -0.384 0.000 0.857 402 R CB 1.123 31.319 30.300 -0.174 0.000 1.160 402 R HN 0.887 nan 8.270 nan 0.000 0.491 403 A N 3.842 126.252 122.820 -0.684 0.000 1.915 403 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 403 A C 1.915 179.378 177.584 -0.201 0.000 1.198 403 A CA 2.241 53.983 52.037 -0.492 0.000 0.647 403 A CB -1.091 17.794 19.000 -0.192 0.000 0.825 403 A HN 0.910 nan 8.150 nan 0.000 0.456 404 G N -0.542 108.171 108.800 -0.147 0.000 2.440 404 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 404 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 404 G C 1.557 176.408 174.900 -0.081 0.000 1.154 404 G CA 1.116 46.172 45.100 -0.074 0.000 0.767 404 G HN 0.473 nan 8.290 nan 0.000 0.552 405 L N -0.610 120.532 121.223 -0.134 0.000 2.072 405 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 405 L C 2.617 179.429 176.870 -0.097 0.000 1.079 405 L CA 1.327 56.079 54.840 -0.147 0.000 0.752 405 L CB -0.631 41.315 42.059 -0.189 0.000 0.906 405 L HN 0.283 nan 8.230 nan 0.000 0.436 406 H N 0.649 119.610 119.070 -0.183 0.000 2.319 406 H HA -0.196 4.359 4.556 -0.000 0.000 0.299 406 H C 2.280 177.570 175.328 -0.064 0.000 1.092 406 H CA 1.941 57.925 56.048 -0.107 0.000 1.302 406 H CB 0.042 29.753 29.762 -0.086 0.000 1.373 406 H HN 0.292 nan 8.280 nan 0.000 0.497 407 Q N -0.559 119.154 119.800 -0.146 0.000 2.224 407 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 407 Q C 2.303 178.215 176.000 -0.147 0.000 0.970 407 Q CA 0.812 56.521 55.803 -0.157 0.000 0.865 407 Q CB 0.053 28.764 28.738 -0.045 0.000 0.922 407 Q HN 0.604 nan 8.270 nan 0.000 0.445 408 A N 0.420 123.166 122.820 -0.123 0.000 2.168 408 A HA 0.144 4.464 4.320 -0.000 0.000 0.215 408 A C 1.570 179.058 177.584 -0.158 0.000 1.152 408 A CA 0.924 52.900 52.037 -0.102 0.000 0.716 408 A CB -0.529 18.445 19.000 -0.043 0.000 0.794 408 A HN 0.470 nan 8.150 nan 0.000 0.465 409 G N -1.428 107.240 108.800 -0.220 0.000 2.147 409 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.244 409 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.244 409 G C 0.693 175.383 174.900 -0.351 0.000 1.005 409 G CA 0.811 45.753 45.100 -0.263 0.000 0.713 409 G HN 1.685 nan 8.290 nan 0.000 0.515 410 V N -2.727 117.017 119.914 -0.284 0.000 3.271 410 V HA 0.376 4.496 4.120 -0.000 0.000 0.327 410 V C 0.415 176.437 176.094 -0.121 0.000 1.389 410 V CA -0.269 61.851 62.300 -0.299 0.000 1.156 410 V CB 0.219 31.903 31.823 -0.231 0.000 1.103 410 V HN 0.107 nan 8.190 nan 0.000 0.453 411 D N 2.321 122.691 120.400 -0.051 0.000 2.488 411 D HA 0.394 5.034 4.640 -0.000 0.000 0.238 411 D C 1.536 177.914 176.300 0.130 0.000 1.138 411 D CA 2.039 56.084 54.000 0.074 0.000 0.873 411 D CB 1.020 41.889 40.800 0.115 0.000 1.183 411 D HN 0.600 nan 8.370 nan 0.000 0.458 412 G N 2.122 111.081 108.800 0.264 0.000 2.212 412 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.266 412 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.266 412 G C 1.122 176.079 174.900 0.096 0.000 0.978 412 G CA 0.288 45.528 45.100 0.234 0.000 0.632 412 G HN 0.458 nan 8.290 nan 0.000 0.537 413 K N -0.537 119.908 120.400 0.075 0.000 2.380 413 K HA 0.457 4.777 4.320 -0.000 0.000 0.198 413 K C 0.467 177.145 176.600 0.130 0.000 1.070 413 K CA 0.349 56.692 56.287 0.094 0.000 1.040 413 K CB 1.484 34.014 32.500 0.050 0.000 0.903 413 K HN 0.370 nan 8.250 nan 0.000 0.549 414 V N 1.577 121.558 119.914 0.112 0.000 2.487 414 V HA 0.318 4.438 4.120 -0.000 0.000 0.298 414 V C -0.531 175.661 176.094 0.163 0.000 1.028 414 V CA -0.714 61.684 62.300 0.165 0.000 0.860 414 V CB 1.956 33.828 31.823 0.082 0.000 0.991 414 V HN -0.041 nan 8.190 nan 0.000 0.427 415 S N 3.653 119.485 115.700 0.221 0.000 2.530 415 S HA 0.883 5.353 4.470 -0.000 0.000 0.322 415 S C -0.163 174.550 174.600 0.189 0.000 1.085 415 S CA -0.342 57.977 58.200 0.198 0.000 1.096 415 S CB 1.462 64.800 63.200 0.230 0.000 0.988 415 S HN 1.127 nan 8.310 nan 0.000 0.466 416 A N 2.849 125.736 122.820 0.112 0.000 2.604 416 A HA 0.790 5.110 4.320 -0.000 0.000 0.295 416 A C -1.358 176.243 177.584 0.028 0.000 1.067 416 A CA -0.898 51.146 52.037 0.011 0.000 0.683 416 A CB 1.339 20.343 19.000 0.006 0.000 1.281 416 A HN 0.486 nan 8.150 nan 0.000 0.407 417 K N 1.106 121.504 120.400 -0.002 0.000 2.183 417 K HA 0.595 4.915 4.320 -0.000 0.000 0.274 417 K C 0.292 176.910 176.600 0.031 0.000 1.009 417 K CA 0.281 56.585 56.287 0.029 0.000 0.888 417 K CB 0.837 33.367 32.500 0.050 0.000 1.078 417 K HN 0.885 nan 8.250 nan 0.000 0.459 418 T N 0.214 114.788 114.554 0.033 0.000 2.904 418 T HA 0.610 4.960 4.350 -0.000 0.000 0.290 418 T C 0.424 175.137 174.700 0.021 0.000 1.018 418 T CA -0.761 61.360 62.100 0.036 0.000 1.075 418 T CB 1.396 70.274 68.868 0.016 0.000 0.986 418 T HN 0.544 nan 8.240 nan 0.000 0.523 419 G N 0.738 109.549 108.800 0.019 0.000 2.730 419 G HA2 0.532 4.492 3.960 -0.000 0.000 0.291 419 G HA3 0.532 4.492 3.960 -0.000 0.000 0.291 419 G C -0.958 173.885 174.900 -0.095 0.000 1.456 419 G CA -0.720 44.359 45.100 -0.035 0.000 0.996 419 G HN 0.748 nan 8.290 nan 0.000 0.528 420 S N 1.524 117.131 115.700 -0.155 0.000 2.605 420 S HA 0.734 5.204 4.470 -0.000 0.000 0.308 420 S C -0.527 173.906 174.600 -0.278 0.000 1.113 420 S CA -0.436 57.608 58.200 -0.261 0.000 1.049 420 S CB 1.565 64.622 63.200 -0.238 0.000 1.001 420 S HN 0.557 nan 8.310 nan 0.000 0.480 421 L N 1.708 122.737 121.223 -0.323 0.000 2.397 421 L HA 0.451 4.791 4.340 -0.000 0.000 0.251 421 L C -0.806 175.907 176.870 -0.261 0.000 1.064 421 L CA -1.054 53.631 54.840 -0.257 0.000 0.859 421 L CB 1.759 43.702 42.059 -0.192 0.000 1.468 421 L HN 0.577 nan 8.230 nan 0.000 0.411 422 Q N 0.996 120.692 119.800 -0.175 0.000 2.317 422 Q HA 0.269 4.609 4.340 -0.000 0.000 0.286 422 Q C 0.880 176.837 176.000 -0.072 0.000 1.198 422 Q CA 0.850 56.588 55.803 -0.108 0.000 0.973 422 Q CB -0.401 28.295 28.738 -0.069 0.000 1.207 422 Q HN 0.843 nan 8.270 nan 0.000 0.416 423 G N 1.442 110.220 108.800 -0.037 0.000 2.148 423 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 423 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 423 G C -0.031 174.916 174.900 0.079 0.000 0.981 423 G CA -0.019 45.150 45.100 0.115 0.000 0.670 423 G HN 0.500 nan 8.290 nan 0.000 0.528 424 V N -0.023 119.786 119.914 -0.174 0.000 2.540 424 V HA 0.666 4.786 4.120 -0.000 0.000 0.302 424 V C -0.593 175.278 176.094 -0.372 0.000 1.035 424 V CA -0.795 61.422 62.300 -0.138 0.000 0.873 424 V CB 1.694 33.436 31.823 -0.135 0.000 0.992 424 V HN 0.242 nan 8.190 nan 0.000 0.428 425 Y N 3.039 123.332 120.300 -0.011 0.000 2.535 425 Y HA 0.405 4.955 4.550 -0.000 0.000 0.351 425 Y C 0.493 176.437 175.900 0.073 0.000 1.050 425 Y CA -0.458 57.631 58.100 -0.019 0.000 1.168 425 Y CB 0.791 39.183 38.460 -0.114 0.000 1.116 425 Y HN 0.621 nan 8.280 nan 0.000 0.654 426 N N 2.184 120.986 118.700 0.170 0.000 2.508 426 N HA 0.719 5.459 4.740 -0.000 0.000 0.285 426 N C -1.289 174.366 175.510 0.242 0.000 1.144 426 N CA -0.622 52.590 53.050 0.269 0.000 0.978 426 N CB 1.545 40.175 38.487 0.239 0.000 1.180 426 N HN 0.259 nan 8.380 nan 0.000 0.484 427 L N 1.110 122.505 121.223 0.288 0.000 2.455 427 L HA 0.691 5.031 4.340 -0.000 0.000 0.264 427 L C -1.307 175.600 176.870 0.060 0.000 0.968 427 L CA -0.693 54.275 54.840 0.213 0.000 0.827 427 L CB 2.003 44.280 42.059 0.363 0.000 1.317 427 L HN 0.615 nan 8.230 nan 0.000 0.407 428 A N 2.200 124.920 122.820 -0.167 0.000 2.402 428 A HA 0.942 5.262 4.320 -0.000 0.000 0.291 428 A C -0.301 176.881 177.584 -0.669 0.000 1.051 428 A CA 0.291 52.061 52.037 -0.444 0.000 0.716 428 A CB 1.792 20.667 19.000 -0.208 0.000 1.223 428 A HN 0.912 nan 8.150 nan 0.000 0.425 429 G N 0.490 108.547 108.800 -1.238 0.000 2.498 429 G HA2 0.524 4.484 3.960 -0.000 0.000 0.181 429 G HA3 0.524 4.484 3.960 -0.000 0.000 0.181 429 G C -1.656 172.420 174.900 -1.374 0.000 1.169 429 G CA -0.389 44.027 45.100 -1.141 0.000 0.992 429 G HN 0.798 nan 8.290 nan 0.000 0.490 430 F N 0.057 119.942 119.950 -0.108 0.000 2.588 430 F HA 0.815 5.342 4.527 -0.000 0.000 0.310 430 F C -0.152 175.866 175.800 0.363 0.000 1.082 430 F CA -0.786 57.311 58.000 0.161 0.000 0.929 430 F CB 2.524 41.576 39.000 0.087 0.000 1.254 430 F HN 0.468 nan 8.300 nan 0.000 0.455 431 I N 0.999 121.889 120.570 0.534 0.000 2.582 431 I HA 0.486 4.656 4.170 -0.000 0.000 0.292 431 I C -1.021 175.264 176.117 0.281 0.000 1.066 431 I CA -0.138 61.382 61.300 0.368 0.000 1.053 431 I CB 1.900 40.069 38.000 0.282 0.000 1.241 431 I HN 0.530 nan 8.210 nan 0.000 0.421 432 T N 5.658 120.356 114.554 0.240 0.000 2.743 432 T HA 0.320 4.670 4.350 -0.000 0.000 0.293 432 T C 0.285 175.126 174.700 0.236 0.000 0.945 432 T CA -0.318 61.897 62.100 0.191 0.000 1.030 432 T CB 0.765 69.728 68.868 0.157 0.000 0.912 432 T HN 0.753 nan 8.240 nan 0.000 0.483 433 T N 0.608 115.210 114.554 0.080 0.000 2.810 433 T HA 0.540 4.890 4.350 -0.000 0.000 0.277 433 T C 1.868 176.285 174.700 -0.472 0.000 0.973 433 T CA -0.376 61.627 62.100 -0.160 0.000 0.949 433 T CB 0.639 69.413 68.868 -0.155 0.000 1.075 433 T HN 0.450 nan 8.240 nan 0.000 0.537 434 A N 0.686 122.875 122.820 -1.051 0.000 2.024 434 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 434 A C 2.405 179.816 177.584 -0.288 0.000 1.164 434 A CA 1.841 53.412 52.037 -0.778 0.000 0.643 434 A CB -1.281 17.290 19.000 -0.715 0.000 0.806 434 A HN 1.129 nan 8.150 nan 0.000 0.451 435 S N -2.454 113.112 115.700 -0.223 0.000 2.575 435 S HA 0.412 4.881 4.470 -0.000 0.000 0.215 435 S C 1.290 175.847 174.600 -0.071 0.000 0.966 435 S CA 0.946 59.078 58.200 -0.114 0.000 0.911 435 S CB -0.087 63.056 63.200 -0.095 0.000 0.780 435 S HN 1.883 nan 8.310 nan 0.000 0.514 436 G N 1.537 110.297 108.800 -0.066 0.000 2.157 436 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 436 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 436 G C -0.160 174.737 174.900 -0.005 0.000 0.979 436 G CA 0.092 45.182 45.100 -0.017 0.000 0.650 436 G HN 0.905 nan 8.290 nan 0.000 0.529 437 Q N -0.310 119.483 119.800 -0.012 0.000 2.230 437 Q HA 0.646 4.985 4.340 -0.000 0.000 0.248 437 Q C 0.111 176.137 176.000 0.043 0.000 0.915 437 Q CA -0.867 54.941 55.803 0.008 0.000 0.900 437 Q CB 1.461 30.199 28.738 -0.000 0.000 1.229 437 Q HN 0.374 nan 8.270 nan 0.000 0.439 438 R N 3.054 123.588 120.500 0.057 0.000 2.254 438 R HA 0.406 4.746 4.340 -0.000 0.000 0.318 438 R C -0.874 175.513 176.300 0.145 0.000 1.031 438 R CA -0.145 56.020 56.100 0.109 0.000 0.905 438 R CB 0.814 31.159 30.300 0.074 0.000 1.050 438 R HN 0.752 nan 8.270 nan 0.000 0.456 439 M N 3.124 122.850 119.600 0.209 0.000 2.383 439 M HA 0.428 4.908 4.480 -0.000 0.000 0.325 439 M C -0.507 175.991 176.300 0.330 0.000 1.092 439 M CA -0.835 54.593 55.300 0.213 0.000 0.961 439 M CB 2.292 34.981 32.600 0.149 0.000 1.672 439 M HN 0.697 nan 8.290 nan 0.000 0.438 440 A N 2.844 125.822 122.820 0.263 0.000 2.293 440 A HA 0.903 5.223 4.320 -0.000 0.000 0.302 440 A C -1.035 176.622 177.584 0.120 0.000 1.119 440 A CA -0.358 51.744 52.037 0.108 0.000 0.823 440 A CB 0.405 19.435 19.000 0.050 0.000 1.097 440 A HN 0.786 nan 8.150 nan 0.000 0.491 441 F N -0.664 119.199 119.950 -0.144 0.000 2.619 441 F HA 0.710 5.236 4.527 -0.000 0.000 0.308 441 F C -1.407 174.319 175.800 -0.124 0.000 1.097 441 F CA -1.182 56.775 58.000 -0.072 0.000 0.953 441 F CB 1.379 40.406 39.000 0.046 0.000 1.287 441 F HN 0.314 nan 8.300 nan 0.000 0.446 442 V N 2.800 122.729 119.914 0.024 0.000 2.569 442 V HA 0.423 4.543 4.120 -0.000 0.000 0.301 442 V C -1.084 175.009 176.094 -0.002 0.000 1.044 442 V CA -0.524 61.671 62.300 -0.175 0.000 0.874 442 V CB 1.513 33.098 31.823 -0.397 0.000 1.002 442 V HN 0.930 nan 8.190 nan 0.000 0.424 443 Q N 4.759 124.634 119.800 0.126 0.000 2.381 443 Q HA 0.448 4.788 4.340 -0.000 0.000 0.263 443 Q C -1.831 174.364 176.000 0.325 0.000 1.030 443 Q CA -0.485 55.482 55.803 0.273 0.000 0.772 443 Q CB 1.133 30.151 28.738 0.467 0.000 1.232 443 Q HN 0.811 nan 8.270 nan 0.000 0.476 444 Y N 4.400 124.809 120.300 0.183 0.000 2.417 444 Y HA 0.374 4.924 4.550 -0.000 0.000 0.336 444 Y C -0.627 175.356 175.900 0.139 0.000 0.961 444 Y CA -1.128 57.054 58.100 0.137 0.000 1.215 444 Y CB 1.424 39.947 38.460 0.104 0.000 1.120 444 Y HN 0.517 nan 8.280 nan 0.000 0.499 445 L N 4.991 126.389 121.223 0.291 0.000 2.376 445 L HA 0.590 4.930 4.340 -0.000 0.000 0.275 445 L C -0.542 176.437 176.870 0.182 0.000 0.987 445 L CA -0.241 54.720 54.840 0.202 0.000 0.828 445 L CB 1.551 43.712 42.059 0.170 0.000 1.249 445 L HN 0.514 nan 8.230 nan 0.000 0.409 446 S N 2.102 117.894 115.700 0.153 0.000 2.697 446 S HA 0.826 5.296 4.470 -0.000 0.000 0.289 446 S C 0.499 175.186 174.600 0.145 0.000 1.149 446 S CA -0.224 58.054 58.200 0.131 0.000 0.850 446 S CB 1.358 64.595 63.200 0.062 0.000 1.151 446 S HN 1.898 nan 8.310 nan 0.000 0.491 447 G N -0.168 108.705 108.800 0.122 0.000 2.225 447 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 447 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 447 G C -0.280 174.700 174.900 0.133 0.000 1.024 447 G CA 0.597 45.756 45.100 0.099 0.000 0.784 447 G HN 1.180 nan 8.290 nan 0.000 0.507 448 Y N 0.853 121.211 120.300 0.096 0.000 2.436 448 Y HA 0.508 5.058 4.550 -0.000 0.000 0.336 448 Y C 0.459 176.418 175.900 0.099 0.000 1.049 448 Y CA 0.540 58.702 58.100 0.104 0.000 1.294 448 Y CB 0.440 39.020 38.460 0.200 0.000 1.179 448 Y HN 0.802 nan 8.280 nan 0.000 0.520 460 I N 2.376 122.994 120.570 0.080 0.000 2.087 460 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 460 I C -0.851 175.319 176.117 0.088 0.000 1.054 460 I CA 2.083 63.423 61.300 0.067 0.000 1.311 460 I CB -1.130 36.901 38.000 0.051 0.000 1.024 460 I HN 0.077 nan 8.210 nan 0.000 0.402 461 P HA -0.183 nan 4.420 nan 0.000 0.215 461 P C 1.859 179.278 177.300 0.199 0.000 1.153 461 P CA 1.211 64.407 63.100 0.161 0.000 0.853 461 P CB -0.008 31.777 31.700 0.143 0.000 0.788 462 L N -0.424 120.895 121.223 0.160 0.000 1.989 462 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 462 L C 2.186 179.068 176.870 0.021 0.000 1.071 462 L CA 1.911 56.693 54.840 -0.097 0.000 0.749 462 L CB -1.208 40.418 42.059 -0.721 0.000 0.890 462 L HN -0.196 nan 8.230 nan 0.000 0.431 463 V N -0.008 119.897 119.914 -0.015 0.000 2.287 463 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 463 V C 2.717 178.832 176.094 0.035 0.000 1.053 463 V CA 2.318 64.618 62.300 -0.001 0.000 1.027 463 V CB -0.764 31.055 31.823 -0.005 0.000 0.646 463 V HN 0.470 nan 8.190 nan 0.000 0.447 464 R N -1.032 119.506 120.500 0.063 0.000 2.096 464 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 464 R C 2.227 178.575 176.300 0.080 0.000 1.127 464 R CA 1.995 58.132 56.100 0.062 0.000 0.968 464 R CB -0.468 29.875 30.300 0.072 0.000 0.861 464 R HN 0.601 nan 8.270 nan 0.000 0.440 465 F N 1.804 121.747 119.950 -0.012 0.000 2.098 465 F HA -0.110 4.417 4.527 -0.000 0.000 0.294 465 F C 1.995 177.777 175.800 -0.032 0.000 1.107 465 F CA 1.387 59.373 58.000 -0.024 0.000 1.234 465 F CB 0.071 39.065 39.000 -0.009 0.000 1.002 465 F HN -0.083 nan 8.300 nan 0.000 0.472 466 E N -0.110 120.049 120.200 -0.069 0.000 2.106 466 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 466 E C 2.317 178.895 176.600 -0.037 0.000 0.984 466 E CA 1.314 57.682 56.400 -0.052 0.000 0.806 466 E CB -0.220 29.574 29.700 0.157 0.000 0.750 466 E HN 0.355 nan 8.360 nan 0.000 0.458 467 S N 0.677 116.346 115.700 -0.051 0.000 2.353 467 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 467 S C 1.879 176.416 174.600 -0.104 0.000 1.035 467 S CA 1.100 59.267 58.200 -0.056 0.000 1.025 467 S CB -0.165 63.009 63.200 -0.042 0.000 0.902 467 S HN 0.222 nan 8.310 nan 0.000 0.440 468 R N 0.192 120.598 120.500 -0.155 0.000 2.066 468 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 468 R C 2.426 178.551 176.300 -0.292 0.000 1.131 468 R CA 1.260 57.251 56.100 -0.182 0.000 0.955 468 R CB -0.594 29.612 30.300 -0.156 0.000 0.851 468 R HN 0.314 nan 8.270 nan 0.000 0.432 469 L N -0.161 120.749 121.223 -0.521 0.000 2.005 469 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 469 L C 1.796 178.245 176.870 -0.702 0.000 1.072 469 L CA 1.754 56.142 54.840 -0.754 0.000 0.744 469 L CB -0.606 40.681 42.059 -1.286 0.000 0.895 469 L HN 0.093 nan 8.230 nan 0.000 0.433 470 Y N -0.339 119.772 120.300 -0.315 0.000 2.314 470 Y HA -0.169 4.381 4.550 -0.000 0.000 0.293 470 Y C 2.589 178.409 175.900 -0.132 0.000 1.129 470 Y CA 1.394 59.343 58.100 -0.252 0.000 1.201 470 Y CB -0.389 37.906 38.460 -0.275 0.000 0.999 470 Y HN 0.198 nan 8.280 nan 0.000 0.541 471 K N 0.925 121.308 120.400 -0.028 0.000 2.032 471 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 471 K C 1.733 178.341 176.600 0.013 0.000 1.048 471 K CA 2.091 58.380 56.287 0.004 0.000 0.927 471 K CB -0.548 31.932 32.500 -0.034 0.000 0.712 471 K HN 0.218 nan 8.250 nan 0.000 0.441 472 D N -0.048 120.306 120.400 -0.076 0.000 2.092 472 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 472 D C 1.817 178.073 176.300 -0.074 0.000 0.994 472 D CA 1.869 55.816 54.000 -0.088 0.000 0.828 472 D CB -0.126 40.586 40.800 -0.147 0.000 0.963 472 D HN 0.357 nan 8.370 nan 0.000 0.450 473 I N -0.599 119.908 120.570 -0.106 0.000 2.208 473 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 473 I C 2.190 178.316 176.117 0.014 0.000 1.097 473 I CA 1.172 62.430 61.300 -0.070 0.000 1.363 473 I CB -0.442 37.490 38.000 -0.113 0.000 1.051 473 I HN 0.144 nan 8.210 nan 0.000 0.413 474 Y N 1.460 121.732 120.300 -0.046 0.000 2.163 474 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 474 Y C 2.638 178.526 175.900 -0.019 0.000 1.136 474 Y CA 1.675 59.766 58.100 -0.016 0.000 1.147 474 Y CB -0.242 38.214 38.460 -0.006 0.000 0.987 474 Y HN 0.130 nan 8.280 nan 0.000 0.509 475 Q N -0.453 119.340 119.800 -0.013 0.000 2.172 475 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 475 Q C 0.919 176.854 176.000 -0.108 0.000 0.964 475 Q CA 1.141 56.898 55.803 -0.078 0.000 0.855 475 Q CB 0.053 28.807 28.738 0.028 0.000 0.918 475 Q HN 0.482 nan 8.270 nan 0.000 0.444 476 N N 0.262 118.913 118.700 -0.082 0.000 2.230 476 N HA 0.123 4.863 4.740 -0.000 0.000 0.202 476 N C -0.431 175.034 175.510 -0.074 0.000 1.119 476 N CA 0.177 53.185 53.050 -0.071 0.000 0.851 476 N CB 0.482 38.936 38.487 -0.056 0.000 0.990 476 N HN 0.189 nan 8.380 nan 0.000 0.497 477 N N 0.000 118.643 118.700 -0.096 0.000 1.763 477 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 477 N CA 0.000 53.004 53.050 -0.078 0.000 0.885 477 N CB 0.000 38.457 38.487 -0.050 0.000 1.341 477 N HN 0.000 nan 8.380 nan 0.000 0.667