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 2g4c_1_A DATA FIRST_RESID 66 DATA SEQUENCE SEALLEICQR RHFLSGSKQQ LSRDSLLSGC HPGFGPLGVE LRKNLAAEWW DATA SEQUENCE TSVVVFREQV FPVDALHHKP GPLLPGDSAF RLVSAETLRE ILQDKELSKE DATA SEQUENCE QLVTFLENVL KTSGKLRENL LHGALEHYVN CLDLVNKRLP YGLAQIGVCF DATA SEQUENCE HPVXXXXXXX XXXKSIGEKT EASLVWFTPP RTSNQWLDFW LRHRLQWWRK DATA SEQUENCE FAMSPSNFSS SDCQDEEGRK GNKLYYNFPW GKELIETLWN LGDHELLHMY DATA SEQUENCE PGNVSKLHGR DGRKNVVPCV LSVNGDLDRG MLAYLYDSFQ XXXXXXXXXX DATA SEQUENCE XXXRKVLKLH PCLAPIKVAL DVGRGPTLEL RQVCQGLFNE LLENGISVWP DATA SEQUENCE GYLETMQSSL EQLYSKYDEM SILFTVLVTE TTLENGLIHL RSRDTTMKEM DATA SEQUENCE MHISKLKDFL IKYISSAKNV 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 66 S HA 0.000 nan 4.470 nan 0.000 0.327 66 S C 0.000 174.703 174.600 0.172 0.000 1.055 66 S CA 0.000 58.280 58.200 0.133 0.000 1.107 66 S CB 0.000 63.254 63.200 0.089 0.000 0.593 67 E N 2.024 122.356 120.200 0.221 0.000 2.367 67 E HA 0.706 5.052 4.350 -0.006 0.000 0.273 67 E C -0.988 175.749 176.600 0.227 0.000 0.903 67 E CA -0.907 55.657 56.400 0.273 0.000 0.764 67 E CB 1.630 31.570 29.700 0.399 0.000 1.252 67 E HN 0.892 nan 8.360 nan 0.000 0.446 68 A N 2.958 125.931 122.820 0.256 0.000 3.290 68 A HA 0.325 4.642 4.320 -0.006 0.000 0.297 68 A C 0.479 178.048 177.584 -0.025 0.000 1.285 68 A CA -0.401 51.717 52.037 0.135 0.000 1.060 68 A CB -0.674 18.411 19.000 0.142 0.000 1.114 68 A HN 0.491 nan 8.150 nan 0.000 0.601 69 L N -0.027 121.109 121.223 -0.144 0.000 2.286 69 L HA 0.263 4.599 4.340 -0.006 0.000 0.203 69 L C 1.243 177.916 176.870 -0.328 0.000 1.068 69 L CA 1.394 55.899 54.840 -0.558 0.000 0.811 69 L CB -0.239 41.511 42.059 -0.515 0.000 0.989 69 L HN 0.319 nan 8.230 nan 0.000 0.467 70 L N 0.594 121.720 121.223 -0.163 0.000 2.633 70 L HA -0.020 4.317 4.340 -0.006 0.000 0.235 70 L C 2.193 179.035 176.870 -0.047 0.000 1.163 70 L CA 1.013 55.808 54.840 -0.075 0.000 0.859 70 L CB -1.290 40.772 42.059 0.005 0.000 0.973 70 L HN 0.385 nan 8.230 nan 0.000 0.451 71 E N -0.622 119.536 120.200 -0.069 0.000 2.065 71 E HA 0.050 4.397 4.350 -0.006 0.000 0.191 71 E C 2.322 178.899 176.600 -0.039 0.000 0.960 71 E CA 0.628 57.008 56.400 -0.034 0.000 0.824 71 E CB -0.031 29.660 29.700 -0.015 0.000 0.793 71 E HN 0.365 nan 8.360 nan 0.000 0.459 72 I N 1.242 121.753 120.570 -0.099 0.000 2.163 72 I HA -0.313 3.853 4.170 -0.006 0.000 0.243 72 I C 2.525 178.651 176.117 0.014 0.000 1.085 72 I CA 0.895 62.152 61.300 -0.072 0.000 1.347 72 I CB -0.377 37.502 38.000 -0.202 0.000 1.044 72 I HN 0.102 nan 8.210 nan 0.000 0.408 73 C N 0.191 119.476 119.300 -0.025 0.000 2.401 73 C HA -0.195 4.261 4.460 -0.006 0.000 0.286 73 C C 2.799 177.875 174.990 0.143 0.000 1.332 73 C CA 1.233 60.321 59.018 0.116 0.000 1.795 73 C CB -1.289 26.452 27.740 0.002 0.000 1.922 73 C HN 0.583 nan 8.230 nan 0.000 0.520 74 Q N 0.365 120.198 119.800 0.055 0.000 2.107 74 Q HA -0.053 4.283 4.340 -0.006 0.000 0.195 74 Q C 2.368 178.377 176.000 0.016 0.000 0.964 74 Q CA 0.769 56.580 55.803 0.014 0.000 0.833 74 Q CB -0.141 28.594 28.738 -0.005 0.000 0.910 74 Q HN 0.555 nan 8.270 nan 0.000 0.465 75 R N -0.316 120.213 120.500 0.050 0.000 2.152 75 R HA -0.014 4.323 4.340 -0.006 0.000 0.232 75 R C 1.306 177.710 176.300 0.173 0.000 1.117 75 R CA 0.933 57.085 56.100 0.087 0.000 0.981 75 R CB 0.161 30.498 30.300 0.063 0.000 0.870 75 R HN 0.056 nan 8.270 nan 0.000 0.451 76 R N -0.108 120.494 120.500 0.170 0.000 2.507 76 R HA 0.090 4.427 4.340 -0.006 0.000 0.298 76 R C -0.598 175.767 176.300 0.109 0.000 0.999 76 R CA -0.164 56.013 56.100 0.129 0.000 1.082 76 R CB -0.308 30.045 30.300 0.088 0.000 1.246 76 R HN 0.259 nan 8.270 nan 0.000 0.553 77 H N -1.790 117.238 119.070 -0.069 0.000 2.770 77 H HA -0.183 4.369 4.556 -0.007 0.000 0.309 77 H C 0.504 175.747 175.328 -0.141 0.000 1.206 77 H CA 0.528 56.527 56.048 -0.083 0.000 1.147 77 H CB -2.262 27.442 29.762 -0.097 0.000 1.422 77 H HN 0.163 nan 8.280 nan 0.000 0.420 78 F N -0.435 119.565 119.950 0.085 0.000 2.138 78 F HA 0.127 4.652 4.527 -0.004 0.000 0.283 78 F C 1.418 177.295 175.800 0.129 0.000 1.100 78 F CA 0.559 58.597 58.000 0.064 0.000 1.189 78 F CB 0.228 39.238 39.000 0.017 0.000 1.060 78 F HN 0.069 nan 8.300 nan 0.000 0.492 79 L N -0.316 121.101 121.223 0.323 0.000 2.416 79 L HA 0.351 4.688 4.340 -0.006 0.000 0.262 79 L C 0.229 177.144 176.870 0.076 0.000 1.093 79 L CA 0.008 54.990 54.840 0.236 0.000 0.801 79 L CB 1.069 43.225 42.059 0.162 0.000 1.191 79 L HN -0.015 nan 8.230 nan 0.000 0.459 80 S N -0.645 115.045 115.700 -0.016 0.000 2.634 80 S HA 0.900 5.366 4.470 -0.006 0.000 0.296 80 S C -0.321 174.233 174.600 -0.076 0.000 1.104 80 S CA 0.297 58.455 58.200 -0.069 0.000 0.920 80 S CB 1.760 64.916 63.200 -0.073 0.000 1.111 80 S HN 1.180 nan 8.310 nan 0.000 0.493 81 G N 1.611 110.370 108.800 -0.068 0.000 2.592 81 G HA2 -0.016 3.940 3.960 -0.006 0.000 0.684 81 G HA3 -0.016 3.940 3.960 -0.006 0.000 0.684 81 G C -0.154 174.724 174.900 -0.036 0.000 1.291 81 G CA -0.290 44.782 45.100 -0.047 0.000 0.891 81 G HN 0.967 nan 8.290 nan 0.000 0.544 82 S N -0.584 115.101 115.700 -0.024 0.000 2.562 82 S HA 0.345 4.812 4.470 -0.006 0.000 0.256 82 S C 1.488 176.081 174.600 -0.012 0.000 1.248 82 S CA 0.593 58.782 58.200 -0.018 0.000 0.988 82 S CB 0.418 63.610 63.200 -0.013 0.000 1.035 82 S HN 0.670 nan 8.310 nan 0.000 0.548 83 K N 0.133 120.529 120.400 -0.008 0.000 2.372 83 K HA 0.180 4.496 4.320 -0.006 0.000 0.200 83 K C 1.188 177.785 176.600 -0.004 0.000 1.022 83 K CA 0.073 56.358 56.287 -0.003 0.000 1.125 83 K CB 0.315 32.815 32.500 -0.001 0.000 0.855 83 K HN 0.346 nan 8.250 nan 0.000 0.524 84 Q N 0.790 120.586 119.800 -0.006 0.000 2.471 84 Q HA -0.006 4.331 4.340 -0.006 0.000 0.259 84 Q C 1.606 177.601 176.000 -0.009 0.000 0.850 84 Q CA 0.448 56.246 55.803 -0.009 0.000 0.981 84 Q CB 0.621 29.354 28.738 -0.009 0.000 1.180 84 Q HN 0.287 nan 8.270 nan 0.000 0.571 85 Q N -0.344 119.452 119.800 -0.007 0.000 2.425 85 Q HA 0.121 4.458 4.340 -0.006 0.000 0.204 85 Q C 0.437 176.441 176.000 0.006 0.000 0.933 85 Q CA 0.331 56.132 55.803 -0.003 0.000 0.939 85 Q CB 0.258 28.993 28.738 -0.005 0.000 1.044 85 Q HN 0.271 nan 8.270 nan 0.000 0.513 86 L N 2.384 123.611 121.223 0.007 0.000 3.064 86 L HA 0.291 4.628 4.340 -0.006 0.000 0.233 86 L C -0.333 176.548 176.870 0.018 0.000 1.333 86 L CA -0.553 54.300 54.840 0.022 0.000 1.140 86 L CB 0.566 42.635 42.059 0.017 0.000 1.519 86 L HN 0.091 nan 8.230 nan 0.000 0.493 87 S N -0.218 115.482 115.700 0.001 0.000 2.587 87 S HA 0.058 4.524 4.470 -0.006 0.000 0.260 87 S C 1.223 175.804 174.600 -0.031 0.000 1.353 87 S CA -0.541 57.645 58.200 -0.023 0.000 0.995 87 S CB 0.901 64.079 63.200 -0.036 0.000 0.912 87 S HN 0.422 nan 8.310 nan 0.000 0.568 88 R N 1.681 122.129 120.500 -0.087 0.000 2.073 88 R HA 0.019 4.355 4.340 -0.006 0.000 0.229 88 R C 1.186 177.395 176.300 -0.153 0.000 1.120 88 R CA 1.488 57.494 56.100 -0.156 0.000 0.967 88 R CB -0.963 29.137 30.300 -0.334 0.000 0.862 88 R HN 0.569 nan 8.270 nan 0.000 0.436 89 D N -0.176 120.141 120.400 -0.139 0.000 2.269 89 D HA -0.029 4.607 4.640 -0.006 0.000 0.208 89 D C 1.508 177.770 176.300 -0.062 0.000 0.963 89 D CA 0.906 54.843 54.000 -0.104 0.000 0.864 89 D CB -0.036 40.708 40.800 -0.093 0.000 0.936 89 D HN 0.094 nan 8.370 nan 0.000 0.505 90 S N -0.481 115.189 115.700 -0.049 0.000 2.406 90 S HA 0.085 4.551 4.470 -0.006 0.000 0.224 90 S C 1.764 176.339 174.600 -0.041 0.000 1.030 90 S CA 0.191 58.367 58.200 -0.040 0.000 0.958 90 S CB -0.081 63.108 63.200 -0.018 0.000 0.811 90 S HN 0.170 nan 8.310 nan 0.000 0.489 91 L N 0.918 122.153 121.223 0.019 0.000 2.046 91 L HA -0.038 4.299 4.340 -0.006 0.000 0.208 91 L C 2.114 179.028 176.870 0.074 0.000 1.077 91 L CA 1.135 56.041 54.840 0.110 0.000 0.747 91 L CB -0.333 41.828 42.059 0.170 0.000 0.896 91 L HN 0.346 nan 8.230 nan 0.000 0.432 92 L N -0.937 120.301 121.223 0.025 0.000 2.270 92 L HA -0.078 4.258 4.340 -0.006 0.000 0.210 92 L C 2.512 179.385 176.870 0.005 0.000 1.104 92 L CA 0.988 55.845 54.840 0.029 0.000 0.804 92 L CB -0.206 41.857 42.059 0.006 0.000 0.937 92 L HN 0.323 nan 8.230 nan 0.000 0.450 93 S N -0.718 114.960 115.700 -0.036 0.000 2.593 93 S HA 0.093 4.559 4.470 -0.006 0.000 0.217 93 S C 1.474 176.020 174.600 -0.090 0.000 0.966 93 S CA 0.407 58.589 58.200 -0.031 0.000 0.914 93 S CB 0.215 63.401 63.200 -0.023 0.000 0.776 93 S HN 0.513 nan 8.310 nan 0.000 0.523 94 G N -0.144 108.525 108.800 -0.218 0.000 2.143 94 G HA2 -0.262 3.695 3.960 -0.006 0.000 0.248 94 G HA3 -0.262 3.695 3.960 -0.006 0.000 0.248 94 G C 0.445 175.079 174.900 -0.444 0.000 0.991 94 G CA 0.115 44.972 45.100 -0.405 0.000 0.689 94 G HN 0.635 nan 8.290 nan 0.000 0.522 95 C N 1.805 120.906 119.300 -0.331 0.000 2.780 95 C HA 0.334 4.791 4.460 -0.006 0.000 0.287 95 C C 1.483 176.403 174.990 -0.117 0.000 1.288 95 C CA -0.237 58.678 59.018 -0.173 0.000 1.713 95 C CB -1.732 25.965 27.740 -0.073 0.000 1.955 95 C HN 0.722 nan 8.230 nan 0.000 0.613 96 H N 0.948 119.970 119.070 -0.081 0.000 2.730 96 H HA 0.120 4.672 4.556 -0.005 0.000 0.376 96 H C -1.549 173.702 175.328 -0.128 0.000 1.299 96 H CA -0.949 55.029 56.048 -0.116 0.000 1.447 96 H CB 0.065 29.715 29.762 -0.187 0.000 1.493 96 H HN 0.053 nan 8.280 nan 0.000 0.619 97 P HA 0.138 nan 4.420 nan 0.000 0.245 97 P C 0.560 177.811 177.300 -0.082 0.000 1.212 97 P CA 1.002 64.101 63.100 -0.002 0.000 0.774 97 P CB 0.404 32.087 31.700 -0.028 0.000 0.999 98 G N -0.394 108.230 108.800 -0.293 0.000 2.362 98 G HA2 0.016 3.972 3.960 -0.006 0.000 0.517 98 G HA3 0.016 3.972 3.960 -0.006 0.000 0.517 98 G C -1.427 173.020 174.900 -0.754 0.000 1.256 98 G CA -0.991 43.797 45.100 -0.520 0.000 1.027 98 G HN -0.008 nan 8.290 nan 0.000 0.491 99 F N 0.535 120.381 119.950 -0.173 0.000 2.557 99 F HA 0.760 5.283 4.527 -0.007 0.000 0.336 99 F C 1.232 177.002 175.800 -0.051 0.000 1.058 99 F CA 0.191 58.123 58.000 -0.112 0.000 0.988 99 F CB 1.681 40.640 39.000 -0.068 0.000 1.275 99 F HN 0.819 nan 8.300 nan 0.000 0.488 100 G N 0.363 109.298 108.800 0.225 0.000 2.522 100 G HA2 0.433 4.389 3.960 -0.006 0.000 0.304 100 G HA3 0.433 4.389 3.960 -0.006 0.000 0.304 100 G C -2.254 172.707 174.900 0.102 0.000 1.210 100 G CA -1.482 43.690 45.100 0.121 0.000 0.960 100 G HN 0.382 nan 8.290 nan 0.000 0.497 101 P HA -0.101 nan 4.420 nan 0.000 0.217 101 P C 1.943 179.223 177.300 -0.033 0.000 1.148 101 P CA 0.438 63.558 63.100 0.034 0.000 0.828 101 P CB 0.211 31.937 31.700 0.043 0.000 0.783 102 L N -0.755 120.395 121.223 -0.121 0.000 2.072 102 L HA 0.027 4.364 4.340 -0.006 0.000 0.205 102 L C 2.554 179.353 176.870 -0.119 0.000 1.079 102 L CA 2.120 56.789 54.840 -0.285 0.000 0.752 102 L CB -1.879 39.670 42.059 -0.850 0.000 0.906 102 L HN -0.011 nan 8.230 nan 0.000 0.436 103 G N -1.253 107.538 108.800 -0.014 0.000 2.440 103 G HA2 -0.194 3.762 3.960 -0.006 0.000 0.218 103 G HA3 -0.194 3.762 3.960 -0.006 0.000 0.218 103 G C 1.629 176.412 174.900 -0.195 0.000 1.154 103 G CA 1.080 46.148 45.100 -0.053 0.000 0.767 103 G HN 0.269 nan 8.290 nan 0.000 0.552 104 V N 0.477 120.355 119.914 -0.059 0.000 2.295 104 V HA -0.125 3.992 4.120 -0.006 0.000 0.246 104 V C 2.819 178.882 176.094 -0.052 0.000 1.049 104 V CA 1.939 64.219 62.300 -0.034 0.000 1.024 104 V CB -0.288 31.553 31.823 0.031 0.000 0.648 104 V HN 0.261 nan 8.190 nan 0.000 0.447 105 E N -0.120 120.054 120.200 -0.045 0.000 2.047 105 E HA -0.185 4.162 4.350 -0.006 0.000 0.191 105 E C 2.116 178.685 176.600 -0.052 0.000 0.987 105 E CA 1.104 57.478 56.400 -0.043 0.000 0.799 105 E CB -0.487 29.189 29.700 -0.041 0.000 0.752 105 E HN 0.424 nan 8.360 nan 0.000 0.449 106 L N 1.589 122.787 121.223 -0.040 0.000 2.012 106 L HA -0.168 4.168 4.340 -0.006 0.000 0.210 106 L C 2.443 179.262 176.870 -0.085 0.000 1.073 106 L CA 1.968 56.786 54.840 -0.036 0.000 0.748 106 L CB -0.615 41.473 42.059 0.049 0.000 0.891 106 L HN -0.009 nan 8.230 nan 0.000 0.431 107 R N -0.483 119.944 120.500 -0.122 0.000 2.120 107 R HA -0.199 4.137 4.340 -0.006 0.000 0.234 107 R C 2.444 178.708 176.300 -0.060 0.000 1.123 107 R CA 1.598 57.636 56.100 -0.105 0.000 0.975 107 R CB -0.206 29.995 30.300 -0.165 0.000 0.866 107 R HN 0.423 nan 8.270 nan 0.000 0.446 108 K N 0.121 120.485 120.400 -0.060 0.000 2.057 108 K HA -0.139 4.177 4.320 -0.006 0.000 0.207 108 K C 1.667 178.241 176.600 -0.044 0.000 1.049 108 K CA 1.698 57.959 56.287 -0.044 0.000 0.931 108 K CB -0.008 32.468 32.500 -0.040 0.000 0.714 108 K HN 0.244 nan 8.250 nan 0.000 0.440 109 N N 1.042 119.700 118.700 -0.070 0.000 2.080 109 N HA -0.170 4.566 4.740 -0.006 0.000 0.189 109 N C 1.806 177.257 175.510 -0.098 0.000 1.036 109 N CA 0.880 53.873 53.050 -0.095 0.000 0.846 109 N CB -0.453 37.947 38.487 -0.146 0.000 1.015 109 N HN 0.088 nan 8.380 nan 0.000 0.423 110 L N 1.742 122.888 121.223 -0.127 0.000 2.034 110 L HA -0.207 4.129 4.340 -0.006 0.000 0.217 110 L C 2.219 179.163 176.870 0.123 0.000 1.077 110 L CA 1.867 56.664 54.840 -0.071 0.000 0.769 110 L CB -1.187 40.858 42.059 -0.023 0.000 0.890 110 L HN 0.173 nan 8.230 nan 0.000 0.435 111 A N -0.913 121.953 122.820 0.076 0.000 1.883 111 A HA -0.154 4.162 4.320 -0.006 0.000 0.217 111 A C 2.456 180.174 177.584 0.224 0.000 1.186 111 A CA 2.289 54.393 52.037 0.112 0.000 0.624 111 A CB -1.227 17.787 19.000 0.022 0.000 0.822 111 A HN 0.615 nan 8.150 nan 0.000 0.444 112 A N -0.582 122.314 122.820 0.128 0.000 1.883 112 A HA -0.181 4.136 4.320 -0.006 0.000 0.217 112 A C 1.984 179.693 177.584 0.209 0.000 1.186 112 A CA 2.213 54.333 52.037 0.139 0.000 0.624 112 A CB -0.567 18.457 19.000 0.039 0.000 0.822 112 A HN 0.509 nan 8.150 nan 0.000 0.444 113 E N -1.074 119.223 120.200 0.162 0.000 2.038 113 E HA -0.224 4.123 4.350 -0.006 0.000 0.195 113 E C 1.638 178.467 176.600 0.382 0.000 1.000 113 E CA 1.562 58.091 56.400 0.216 0.000 0.803 113 E CB -0.476 29.252 29.700 0.047 0.000 0.750 113 E HN 0.704 nan 8.360 nan 0.000 0.448 114 W N 0.265 121.725 121.300 0.267 0.000 2.304 114 W HA -0.259 4.397 4.660 -0.006 0.000 0.315 114 W C 2.114 178.503 176.519 -0.216 0.000 1.233 114 W CA 2.259 59.441 57.345 -0.272 0.000 1.261 114 W CB -0.523 28.714 29.460 -0.372 0.000 1.150 114 W HN 0.263 nan 8.180 nan 0.000 0.494 115 W N 1.003 122.409 121.300 0.177 0.000 2.354 115 W HA -0.238 4.419 4.660 -0.004 0.000 0.315 115 W C 2.206 178.609 176.519 -0.194 0.000 1.206 115 W CA 2.982 60.367 57.345 0.067 0.000 1.290 115 W CB -0.938 28.620 29.460 0.163 0.000 1.152 115 W HN -0.124 nan 8.180 nan 0.000 0.489 116 T N -0.580 113.972 114.554 -0.003 0.000 2.803 116 T HA -0.229 4.117 4.350 -0.006 0.000 0.269 116 T C 2.017 176.286 174.700 -0.718 0.000 1.052 116 T CA 1.679 63.635 62.100 -0.240 0.000 1.136 116 T CB -0.752 68.022 68.868 -0.156 0.000 0.864 116 T HN 0.088 nan 8.240 nan 0.000 0.467 117 S N 0.180 115.508 115.700 -0.621 0.000 2.348 117 S HA -0.083 4.384 4.470 -0.006 0.000 0.221 117 S C 2.138 176.456 174.600 -0.471 0.000 1.033 117 S CA 1.462 59.270 58.200 -0.653 0.000 1.010 117 S CB -0.422 62.542 63.200 -0.393 0.000 0.891 117 S HN 0.417 nan 8.310 nan 0.000 0.442 118 V N 0.422 119.898 119.914 -0.731 0.000 2.581 118 V HA 0.118 4.234 4.120 -0.006 0.000 0.240 118 V C 1.977 177.767 176.094 -0.508 0.000 1.054 118 V CA 1.421 63.342 62.300 -0.632 0.000 1.076 118 V CB -0.233 30.936 31.823 -1.091 0.000 0.748 118 V HN 0.371 nan 8.190 nan 0.000 0.474 119 V N 0.543 119.981 119.914 -0.793 0.000 2.273 119 V HA -0.073 4.044 4.120 -0.006 0.000 0.242 119 V C 2.521 178.421 176.094 -0.323 0.000 1.035 119 V CA 1.927 63.816 62.300 -0.683 0.000 1.013 119 V CB -0.612 30.367 31.823 -1.407 0.000 0.652 119 V HN 0.410 nan 8.190 nan 0.000 0.452 120 V N -0.516 119.242 119.914 -0.259 0.000 2.220 120 V HA -0.264 3.852 4.120 -0.006 0.000 0.242 120 V C 1.968 178.128 176.094 0.110 0.000 1.041 120 V CA 2.192 64.496 62.300 0.007 0.000 0.990 120 V CB -0.922 30.941 31.823 0.066 0.000 0.634 120 V HN 0.402 nan 8.190 nan 0.000 0.452 121 F N 1.055 120.990 119.950 -0.025 0.000 2.771 121 F HA -0.357 4.166 4.527 -0.006 0.000 0.303 121 F C 1.774 177.576 175.800 0.002 0.000 1.341 121 F CA 1.981 59.979 58.000 -0.002 0.000 1.371 121 F CB -0.421 38.583 39.000 0.006 0.000 0.815 121 F HN 0.272 nan 8.300 nan 0.000 0.621 122 R N 1.984 122.637 120.500 0.255 0.000 2.891 122 R HA 0.162 4.499 4.340 -0.006 0.000 0.248 122 R C -0.517 175.837 176.300 0.090 0.000 1.439 122 R CA -0.081 56.104 56.100 0.142 0.000 1.288 122 R CB 0.194 30.591 30.300 0.163 0.000 1.212 122 R HN 0.366 nan 8.270 nan 0.000 0.605 123 E N 3.092 123.311 120.200 0.031 0.000 2.127 123 E HA -0.103 4.243 4.350 -0.006 0.000 0.295 123 E C -0.265 176.230 176.600 -0.175 0.000 1.155 123 E CA 0.127 56.479 56.400 -0.080 0.000 1.201 123 E CB 0.251 29.910 29.700 -0.068 0.000 1.083 123 E HN 0.707 nan 8.360 nan 0.000 0.472 124 Q N 1.023 120.755 119.800 -0.112 0.000 2.164 124 Q HA 0.198 4.534 4.340 -0.006 0.000 0.226 124 Q C -0.283 175.643 176.000 -0.122 0.000 0.813 124 Q CA -0.299 55.453 55.803 -0.085 0.000 0.978 124 Q CB 1.390 30.214 28.738 0.143 0.000 1.149 124 Q HN 0.142 nan 8.270 nan 0.000 0.489 125 V N 1.531 121.319 119.914 -0.210 0.000 2.435 125 V HA 0.439 4.555 4.120 -0.006 0.000 0.290 125 V C -0.816 175.085 176.094 -0.322 0.000 1.030 125 V CA -0.502 61.744 62.300 -0.089 0.000 0.881 125 V CB 0.881 32.665 31.823 -0.065 0.000 0.983 125 V HN 0.103 nan 8.190 nan 0.000 0.445 126 F N 5.594 125.651 119.950 0.178 0.000 2.495 126 F HA 0.584 5.107 4.527 -0.006 0.000 0.327 126 F C -2.128 173.799 175.800 0.211 0.000 1.103 126 F CA -2.526 55.578 58.000 0.174 0.000 0.949 126 F CB 2.231 41.316 39.000 0.141 0.000 1.142 126 F HN 0.301 nan 8.300 nan 0.000 0.457 127 P HA 0.239 nan 4.420 nan 0.000 0.279 127 P C -1.069 176.400 177.300 0.281 0.000 1.239 127 P CA -0.154 63.247 63.100 0.501 0.000 0.789 127 P CB 2.536 34.560 31.700 0.540 0.000 0.933 128 V N 1.950 121.975 119.914 0.185 0.000 3.102 128 V HA 0.474 4.591 4.120 -0.006 0.000 0.312 128 V C -1.297 174.783 176.094 -0.024 0.000 1.135 128 V CA -0.610 61.678 62.300 -0.021 0.000 1.022 128 V CB 2.488 34.245 31.823 -0.110 0.000 1.056 128 V HN 0.556 nan 8.190 nan 0.000 0.436 129 D N 2.700 123.041 120.400 -0.099 0.000 2.469 129 D HA 0.721 5.357 4.640 -0.006 0.000 0.251 129 D C -0.295 176.085 176.300 0.132 0.000 1.173 129 D CA 0.180 54.197 54.000 0.028 0.000 0.882 129 D CB 1.637 42.465 40.800 0.047 0.000 1.129 129 D HN 0.895 nan 8.370 nan 0.000 0.549 130 A N 3.347 126.243 122.820 0.127 0.000 2.269 130 A HA 0.753 5.070 4.320 -0.006 0.000 0.327 130 A C -0.259 177.360 177.584 0.059 0.000 1.112 130 A CA -0.671 51.459 52.037 0.155 0.000 0.865 130 A CB 0.633 19.718 19.000 0.142 0.000 1.227 130 A HN 0.624 nan 8.150 nan 0.000 0.498 131 L N -0.695 120.576 121.223 0.080 0.000 2.454 131 L HA 0.307 4.644 4.340 -0.006 0.000 0.256 131 L C 0.660 177.566 176.870 0.060 0.000 1.136 131 L CA -0.418 54.493 54.840 0.119 0.000 0.804 131 L CB 0.393 42.554 42.059 0.171 0.000 1.181 131 L HN 0.913 nan 8.230 nan 0.000 0.469 132 H N -1.766 117.459 119.070 0.259 0.000 2.553 132 H HA 0.065 4.618 4.556 -0.005 0.000 0.265 132 H C -0.328 175.187 175.328 0.310 0.000 0.964 132 H CA 0.153 56.377 56.048 0.295 0.000 1.156 132 H CB -0.025 29.918 29.762 0.302 0.000 1.411 132 H HN 0.390 nan 8.280 nan 0.000 0.558 133 H N -1.346 117.834 119.070 0.183 0.000 2.806 133 H HA 0.412 4.965 4.556 -0.006 0.000 0.367 133 H C -0.986 174.387 175.328 0.075 0.000 1.136 133 H CA -1.399 54.710 56.048 0.102 0.000 1.178 133 H CB 1.627 31.424 29.762 0.057 0.000 1.718 133 H HN -0.101 nan 8.280 nan 0.000 0.540 134 K N 5.545 125.886 120.400 -0.100 0.000 2.219 134 K HA 0.255 4.572 4.320 -0.006 0.000 0.280 134 K C -2.359 174.126 176.600 -0.190 0.000 1.104 134 K CA -1.743 54.442 56.287 -0.170 0.000 0.925 134 K CB 0.425 32.855 32.500 -0.117 0.000 1.261 134 K HN 0.432 nan 8.250 nan 0.000 0.445 135 P HA 0.065 nan 4.420 nan 0.000 0.310 135 P C 0.284 177.560 177.300 -0.040 0.000 1.309 135 P CA 0.054 63.071 63.100 -0.138 0.000 0.753 135 P CB -0.032 31.575 31.700 -0.155 0.000 1.491 136 G N -0.706 108.094 108.800 0.000 0.000 2.649 136 G HA2 -0.194 3.763 3.960 -0.006 0.000 0.413 136 G HA3 -0.194 3.763 3.960 -0.006 0.000 0.413 136 G C -2.471 172.428 174.900 -0.001 0.000 1.335 136 G CA -0.470 44.633 45.100 0.005 0.000 0.917 136 G HN 0.476 nan 8.290 nan 0.000 0.552 137 P HA 0.365 nan 4.420 nan 0.000 0.267 137 P C 0.008 177.297 177.300 -0.018 0.000 1.205 137 P CA -0.234 62.861 63.100 -0.008 0.000 0.765 137 P CB 0.634 32.331 31.700 -0.005 0.000 0.828 138 L N 3.338 124.547 121.223 -0.024 0.000 2.492 138 L HA 0.465 4.801 4.340 -0.006 0.000 0.263 138 L C 0.358 177.209 176.870 -0.031 0.000 1.062 138 L CA -0.703 54.116 54.840 -0.035 0.000 0.817 138 L CB 0.045 42.079 42.059 -0.041 0.000 1.441 138 L HN 0.241 nan 8.230 nan 0.000 0.493 139 L N -0.696 120.505 121.223 -0.037 0.000 2.469 139 L HA 0.573 4.909 4.340 -0.006 0.000 0.253 139 L C -2.183 174.666 176.870 -0.034 0.000 1.143 139 L CA -1.276 53.545 54.840 -0.031 0.000 0.804 139 L CB -0.961 41.079 42.059 -0.032 0.000 1.214 139 L HN 0.381 nan 8.230 nan 0.000 0.476 140 P HA 0.230 nan 4.420 nan 0.000 0.266 140 P C 0.298 177.576 177.300 -0.037 0.000 1.419 140 P CA 0.848 63.929 63.100 -0.032 0.000 1.112 140 P CB 0.148 31.832 31.700 -0.026 0.000 1.438 141 G N 3.732 112.507 108.800 -0.042 0.000 1.742 141 G HA2 -0.193 3.764 3.960 -0.006 0.000 0.185 141 G HA3 -0.193 3.764 3.960 -0.006 0.000 0.185 141 G C -0.088 174.777 174.900 -0.059 0.000 1.174 141 G CA 0.412 45.483 45.100 -0.048 0.000 1.276 141 G HN 0.334 nan 8.290 nan 0.000 0.424 142 D N -0.996 119.364 120.400 -0.066 0.000 2.429 142 D HA -0.210 4.427 4.640 -0.006 0.000 0.162 142 D C 1.533 177.772 176.300 -0.101 0.000 1.615 142 D CA 3.364 57.317 54.000 -0.079 0.000 1.630 142 D CB -1.509 39.247 40.800 -0.074 0.000 1.347 142 D HN 1.641 nan 8.370 nan 0.000 0.454 143 S N -1.770 113.868 115.700 -0.103 0.000 2.868 143 S HA -0.289 4.178 4.470 -0.006 0.000 0.270 143 S C 0.665 175.119 174.600 -0.243 0.000 1.300 143 S CA 1.366 59.482 58.200 -0.140 0.000 1.362 143 S CB -1.433 61.690 63.200 -0.128 0.000 1.685 143 S HN 1.139 nan 8.310 nan 0.000 0.682 144 A N 0.619 123.307 122.820 -0.221 0.000 2.322 144 A HA 0.657 4.974 4.320 -0.006 0.000 0.269 144 A C 0.121 177.559 177.584 -0.244 0.000 1.094 144 A CA -0.324 51.525 52.037 -0.313 0.000 0.807 144 A CB 0.070 18.980 19.000 -0.150 0.000 1.047 144 A HN 0.206 nan 8.150 nan 0.000 0.487 145 F N 1.431 121.379 119.950 -0.003 0.000 2.518 145 F HA 0.263 4.787 4.527 -0.006 0.000 0.359 145 F C 1.346 177.132 175.800 -0.023 0.000 1.118 145 F CA 0.210 58.200 58.000 -0.017 0.000 1.287 145 F CB 0.392 39.379 39.000 -0.021 0.000 1.132 145 F HN 0.404 nan 8.300 nan 0.000 0.587 146 R N 2.798 123.398 120.500 0.166 0.000 2.500 146 R HA 0.459 4.796 4.340 -0.006 0.000 0.277 146 R C -0.688 175.652 176.300 0.066 0.000 1.026 146 R CA -0.789 55.360 56.100 0.081 0.000 1.058 146 R CB 0.863 31.187 30.300 0.041 0.000 1.078 146 R HN 0.632 nan 8.270 nan 0.000 0.509 147 L N 2.668 123.918 121.223 0.045 0.000 2.259 147 L HA 0.324 4.661 4.340 -0.006 0.000 0.288 147 L C -0.336 176.547 176.870 0.020 0.000 1.051 147 L CA -0.817 54.032 54.840 0.015 0.000 0.824 147 L CB 1.161 43.220 42.059 0.001 0.000 1.206 147 L HN 0.126 nan 8.230 nan 0.000 0.429 148 V N 1.520 121.444 119.914 0.016 0.000 2.370 148 V HA 0.150 4.266 4.120 -0.006 0.000 0.279 148 V C 0.759 176.867 176.094 0.025 0.000 1.029 148 V CA -0.542 61.780 62.300 0.037 0.000 0.870 148 V CB 1.514 33.370 31.823 0.054 0.000 0.984 148 V HN 0.768 nan 8.190 nan 0.000 0.451 149 S N 4.355 120.074 115.700 0.032 0.000 2.671 149 S HA 0.200 4.667 4.470 -0.006 0.000 0.331 149 S C 1.692 176.301 174.600 0.015 0.000 1.182 149 S CA 0.065 58.274 58.200 0.014 0.000 1.276 149 S CB -0.214 62.997 63.200 0.018 0.000 1.360 149 S HN 1.133 nan 8.310 nan 0.000 0.563 150 A N 4.644 127.465 122.820 0.002 0.000 1.935 150 A HA -0.236 4.080 4.320 -0.006 0.000 0.224 150 A C 1.790 179.373 177.584 -0.002 0.000 1.324 150 A CA 2.286 54.323 52.037 -0.001 0.000 0.686 150 A CB -0.990 18.002 19.000 -0.013 0.000 0.837 150 A HN 0.777 nan 8.150 nan 0.000 0.481 151 E N -0.207 119.989 120.200 -0.007 0.000 2.428 151 E HA 0.001 4.347 4.350 -0.006 0.000 0.199 151 E C 1.456 178.045 176.600 -0.017 0.000 1.172 151 E CA 1.125 57.517 56.400 -0.013 0.000 0.941 151 E CB -0.510 29.181 29.700 -0.014 0.000 1.001 151 E HN 0.810 nan 8.360 nan 0.000 0.501 152 T N -3.992 110.555 114.554 -0.011 0.000 3.026 152 T HA 0.120 4.466 4.350 -0.006 0.000 0.245 152 T C 1.859 176.525 174.700 -0.056 0.000 1.004 152 T CA -0.124 61.959 62.100 -0.028 0.000 1.069 152 T CB -0.311 68.566 68.868 0.014 0.000 1.005 152 T HN 0.126 nan 8.240 nan 0.000 0.472 153 L N 0.484 121.703 121.223 -0.007 0.000 2.012 153 L HA -0.071 4.265 4.340 -0.006 0.000 0.210 153 L C 3.334 180.180 176.870 -0.040 0.000 1.073 153 L CA 1.301 56.141 54.840 -0.001 0.000 0.748 153 L CB -0.583 41.497 42.059 0.035 0.000 0.891 153 L HN 0.148 nan 8.230 nan 0.000 0.431 154 R N 0.775 121.256 120.500 -0.032 0.000 2.103 154 R HA -0.195 4.142 4.340 -0.006 0.000 0.234 154 R C 1.928 178.194 176.300 -0.056 0.000 1.132 154 R CA 1.679 57.757 56.100 -0.036 0.000 0.925 154 R CB -0.727 29.557 30.300 -0.028 0.000 0.842 154 R HN 0.463 nan 8.270 nan 0.000 0.430 155 E N 0.046 120.206 120.200 -0.067 0.000 2.492 155 E HA -0.158 4.189 4.350 -0.006 0.000 0.204 155 E C 1.599 178.127 176.600 -0.120 0.000 1.073 155 E CA 0.590 56.941 56.400 -0.082 0.000 0.887 155 E CB -0.089 29.562 29.700 -0.081 0.000 0.813 155 E HN 0.434 nan 8.360 nan 0.000 0.562 156 I N -0.294 120.191 120.570 -0.141 0.000 3.790 156 I HA -0.054 4.113 4.170 -0.006 0.000 0.305 156 I C 1.092 177.147 176.117 -0.103 0.000 1.253 156 I CA 0.134 61.322 61.300 -0.187 0.000 1.355 156 I CB 0.423 38.242 38.000 -0.302 0.000 1.137 156 I HN 0.006 nan 8.210 nan 0.000 0.435 157 L N 2.231 123.413 121.223 -0.067 0.000 2.955 157 L HA 0.215 4.552 4.340 -0.006 0.000 0.238 157 L C 0.287 177.135 176.870 -0.037 0.000 1.359 157 L CA 0.424 55.241 54.840 -0.039 0.000 1.214 157 L CB -0.492 41.552 42.059 -0.024 0.000 1.600 157 L HN 0.407 nan 8.230 nan 0.000 0.442 158 Q N -1.086 118.686 119.800 -0.047 0.000 2.611 158 Q HA 0.072 4.408 4.340 -0.006 0.000 0.365 158 Q C -0.618 175.355 176.000 -0.045 0.000 0.660 158 Q CA -0.304 55.475 55.803 -0.039 0.000 0.950 158 Q CB 0.817 29.531 28.738 -0.040 0.000 1.130 158 Q HN 0.132 nan 8.270 nan 0.000 0.492 159 D N 0.198 120.573 120.400 -0.041 0.000 2.975 159 D HA -0.330 4.306 4.640 -0.006 0.000 0.168 159 D C 0.380 176.661 176.300 -0.032 0.000 1.704 159 D CA 2.411 56.386 54.000 -0.041 0.000 1.953 159 D CB -0.666 40.099 40.800 -0.058 0.000 1.364 159 D HN 0.742 nan 8.370 nan 0.000 0.409 160 K N 0.482 120.864 120.400 -0.030 0.000 3.548 160 K HA -0.358 3.958 4.320 -0.006 0.000 0.310 160 K C -0.135 176.454 176.600 -0.018 0.000 1.282 160 K CA 1.755 58.030 56.287 -0.021 0.000 1.008 160 K CB -1.057 31.433 32.500 -0.016 0.000 1.265 160 K HN 0.528 nan 8.250 nan 0.000 0.430 161 E N 1.438 121.624 120.200 -0.024 0.000 2.924 161 E HA -0.072 4.274 4.350 -0.006 0.000 0.236 161 E C -0.336 176.257 176.600 -0.011 0.000 1.028 161 E CA 0.657 57.046 56.400 -0.019 0.000 0.952 161 E CB 0.015 29.699 29.700 -0.027 0.000 0.918 161 E HN 0.249 nan 8.360 nan 0.000 0.536 162 L N 4.175 125.395 121.223 -0.004 0.000 3.887 162 L HA -0.247 4.089 4.340 -0.006 0.000 0.546 162 L C 0.627 177.499 176.870 0.004 0.000 1.196 162 L CA 0.990 55.831 54.840 0.003 0.000 0.777 162 L CB -1.732 40.332 42.059 0.009 0.000 1.346 162 L HN 0.451 nan 8.230 nan 0.000 0.810 163 S N 0.169 115.869 115.700 0.001 0.000 3.150 163 S HA -0.003 4.463 4.470 -0.006 0.000 0.252 163 S C 1.384 175.989 174.600 0.009 0.000 1.061 163 S CA 0.921 59.122 58.200 0.002 0.000 1.201 163 S CB -0.199 63.000 63.200 -0.002 0.000 0.905 163 S HN 0.651 nan 8.310 nan 0.000 0.498 164 K N -0.999 119.410 120.400 0.014 0.000 2.765 164 K HA 0.120 4.436 4.320 -0.006 0.000 0.168 164 K C 0.989 177.604 176.600 0.024 0.000 1.849 164 K CA -0.125 56.173 56.287 0.018 0.000 1.350 164 K CB 0.246 32.754 32.500 0.012 0.000 2.021 164 K HN -0.053 nan 8.250 nan 0.000 0.603 165 E N 0.581 120.795 120.200 0.023 0.000 2.399 165 E HA 0.121 4.467 4.350 -0.006 0.000 0.205 165 E C 1.567 178.192 176.600 0.040 0.000 0.906 165 E CA 0.523 56.939 56.400 0.028 0.000 0.998 165 E CB 0.690 30.402 29.700 0.020 0.000 1.002 165 E HN 0.140 nan 8.360 nan 0.000 0.501 166 Q N 0.090 119.913 119.800 0.038 0.000 2.187 166 Q HA 0.022 4.358 4.340 -0.006 0.000 0.199 166 Q C 1.486 177.541 176.000 0.091 0.000 0.957 166 Q CA 0.559 56.392 55.803 0.050 0.000 0.857 166 Q CB 0.176 28.927 28.738 0.021 0.000 0.929 166 Q HN 0.133 nan 8.270 nan 0.000 0.453 167 L N 0.071 121.342 121.223 0.080 0.000 2.645 167 L HA 0.013 4.350 4.340 -0.006 0.000 0.234 167 L C 1.115 178.081 176.870 0.160 0.000 1.165 167 L CA 0.482 55.403 54.840 0.134 0.000 0.944 167 L CB 0.535 42.638 42.059 0.072 0.000 1.149 167 L HN -0.113 nan 8.230 nan 0.000 0.446 168 V N -2.856 117.129 119.914 0.117 0.000 3.398 168 V HA 0.109 4.225 4.120 -0.006 0.000 0.298 168 V C 1.462 177.591 176.094 0.058 0.000 1.496 168 V CA 0.706 63.051 62.300 0.076 0.000 1.044 168 V CB 0.826 32.677 31.823 0.046 0.000 0.880 168 V HN 0.328 nan 8.190 nan 0.000 0.443 169 T N 0.010 114.617 114.554 0.087 0.000 2.969 169 T HA 0.125 4.472 4.350 -0.006 0.000 0.250 169 T C 1.427 176.179 174.700 0.087 0.000 1.021 169 T CA 0.319 62.457 62.100 0.063 0.000 1.003 169 T CB 0.118 69.023 68.868 0.061 0.000 1.040 169 T HN 0.373 nan 8.240 nan 0.000 0.492 170 F N 3.178 123.129 119.950 0.002 0.000 2.051 170 F HA 0.042 4.565 4.527 -0.006 0.000 0.296 170 F C 1.581 177.383 175.800 0.003 0.000 1.122 170 F CA 1.188 59.190 58.000 0.002 0.000 1.201 170 F CB -0.907 38.094 39.000 0.001 0.000 0.978 170 F HN -0.007 nan 8.300 nan 0.000 0.472 171 L N 0.455 121.351 121.223 -0.545 0.000 2.661 171 L HA -0.199 4.138 4.340 -0.006 0.000 0.236 171 L C 2.152 178.823 176.870 -0.333 0.000 1.176 171 L CA 1.501 55.980 54.840 -0.601 0.000 0.836 171 L CB -0.899 41.004 42.059 -0.260 0.000 0.960 171 L HN 0.458 nan 8.230 nan 0.000 0.455 172 E N -0.035 120.038 120.200 -0.212 0.000 2.452 172 E HA -0.118 4.228 4.350 -0.006 0.000 0.197 172 E C 1.636 178.167 176.600 -0.116 0.000 1.022 172 E CA 0.083 56.410 56.400 -0.121 0.000 0.890 172 E CB 0.373 30.039 29.700 -0.057 0.000 0.918 172 E HN 0.420 nan 8.360 nan 0.000 0.496 173 N N -0.441 118.168 118.700 -0.151 0.000 2.305 173 N HA -0.084 4.652 4.740 -0.006 0.000 0.179 173 N C 1.678 177.115 175.510 -0.122 0.000 1.019 173 N CA 0.754 53.754 53.050 -0.083 0.000 0.869 173 N CB 0.128 38.623 38.487 0.014 0.000 1.000 173 N HN -0.071 nan 8.380 nan 0.000 0.431 174 V N 1.346 121.096 119.914 -0.274 0.000 2.215 174 V HA -0.273 3.843 4.120 -0.006 0.000 0.246 174 V C 2.280 178.299 176.094 -0.124 0.000 1.047 174 V CA 1.826 63.991 62.300 -0.225 0.000 0.999 174 V CB -0.783 30.802 31.823 -0.397 0.000 0.635 174 V HN 0.358 nan 8.190 nan 0.000 0.450 175 L N -0.682 120.461 121.223 -0.133 0.000 2.171 175 L HA -0.323 4.014 4.340 -0.006 0.000 0.216 175 L C 2.410 179.246 176.870 -0.057 0.000 1.084 175 L CA 1.990 56.782 54.840 -0.080 0.000 0.771 175 L CB -0.570 41.442 42.059 -0.079 0.000 0.890 175 L HN 0.389 nan 8.230 nan 0.000 0.437 176 K N -1.584 118.781 120.400 -0.057 0.000 2.352 176 K HA 0.032 4.348 4.320 -0.006 0.000 0.194 176 K C 1.629 178.215 176.600 -0.024 0.000 1.038 176 K CA 1.151 57.416 56.287 -0.037 0.000 1.023 176 K CB 0.339 32.819 32.500 -0.034 0.000 0.840 176 K HN 0.389 nan 8.250 nan 0.000 0.519 177 T N -2.884 111.657 114.554 -0.021 0.000 3.043 177 T HA 0.224 4.571 4.350 -0.006 0.000 0.272 177 T C 0.557 175.265 174.700 0.012 0.000 0.990 177 T CA -0.482 61.617 62.100 -0.000 0.000 0.897 177 T CB 0.468 69.344 68.868 0.013 0.000 1.111 177 T HN -0.222 nan 8.240 nan 0.000 0.529 178 S N 0.920 116.623 115.700 0.006 0.000 2.616 178 S HA 0.707 5.174 4.470 -0.006 0.000 0.277 178 S C 0.975 175.595 174.600 0.034 0.000 1.234 178 S CA -0.473 57.742 58.200 0.026 0.000 1.028 178 S CB 1.126 64.337 63.200 0.018 0.000 0.988 178 S HN 0.658 nan 8.310 nan 0.000 0.522 179 G N 0.927 109.768 108.800 0.067 0.000 2.516 179 G HA2 0.587 4.544 3.960 -0.006 0.000 0.276 179 G HA3 0.587 4.544 3.960 -0.006 0.000 0.276 179 G C -0.594 174.350 174.900 0.074 0.000 1.390 179 G CA -0.456 44.696 45.100 0.087 0.000 1.050 179 G HN 0.732 nan 8.290 nan 0.000 0.519 180 K N -2.186 118.265 120.400 0.086 0.000 2.533 180 K HA 0.594 4.911 4.320 -0.006 0.000 0.284 180 K C -1.477 175.183 176.600 0.099 0.000 1.025 180 K CA -1.005 55.324 56.287 0.069 0.000 0.900 180 K CB 1.087 33.603 32.500 0.027 0.000 1.519 180 K HN 0.290 nan 8.250 nan 0.000 0.432 181 L N 1.981 123.248 121.223 0.074 0.000 2.325 181 L HA 0.495 4.832 4.340 -0.006 0.000 0.279 181 L C -0.039 176.959 176.870 0.214 0.000 1.054 181 L CA -1.096 53.803 54.840 0.097 0.000 0.804 181 L CB 1.412 43.362 42.059 -0.181 0.000 1.200 181 L HN 0.640 nan 8.230 nan 0.000 0.436 182 R N 0.467 121.139 120.500 0.286 0.000 2.585 182 R HA -0.036 4.301 4.340 -0.006 0.000 0.275 182 R C 0.467 176.931 176.300 0.273 0.000 1.018 182 R CA -0.172 56.066 56.100 0.230 0.000 1.072 182 R CB 0.299 30.721 30.300 0.202 0.000 0.953 182 R HN 0.635 nan 8.270 nan 0.000 0.419 183 E N 2.268 122.579 120.200 0.185 0.000 2.276 183 E HA -0.062 4.285 4.350 -0.006 0.000 0.193 183 E C -0.629 176.108 176.600 0.228 0.000 0.983 183 E CA 0.823 57.352 56.400 0.215 0.000 0.861 183 E CB 0.301 30.039 29.700 0.064 0.000 0.817 183 E HN 0.849 nan 8.360 nan 0.000 0.485 184 N N -1.693 117.098 118.700 0.151 0.000 3.039 184 N HA 0.187 4.923 4.740 -0.006 0.000 0.257 184 N C -0.339 175.233 175.510 0.103 0.000 1.497 184 N CA -0.676 52.452 53.050 0.130 0.000 0.861 184 N CB 0.243 38.784 38.487 0.090 0.000 1.479 184 N HN -0.054 nan 8.380 nan 0.000 0.547 185 L N 0.070 121.340 121.223 0.078 0.000 2.607 185 L HA 0.326 4.663 4.340 -0.006 0.000 0.228 185 L C 1.586 178.507 176.870 0.086 0.000 1.123 185 L CA 0.018 54.899 54.840 0.068 0.000 0.890 185 L CB -0.136 41.942 42.059 0.031 0.000 1.103 185 L HN 0.562 nan 8.230 nan 0.000 0.468 186 L N -0.456 120.818 121.223 0.085 0.000 2.109 186 L HA -0.225 4.112 4.340 -0.006 0.000 0.207 186 L C 2.544 179.478 176.870 0.106 0.000 1.086 186 L CA 1.266 56.152 54.840 0.077 0.000 0.760 186 L CB -0.058 42.034 42.059 0.055 0.000 0.910 186 L HN 0.319 nan 8.230 nan 0.000 0.437 187 H N -0.361 118.728 119.070 0.031 0.000 2.270 187 H HA -0.128 4.425 4.556 -0.006 0.000 0.299 187 H C 2.020 177.381 175.328 0.055 0.000 1.077 187 H CA 1.974 58.033 56.048 0.019 0.000 1.294 187 H CB -0.543 29.215 29.762 -0.006 0.000 1.371 187 H HN 0.344 nan 8.280 nan 0.000 0.491 188 G N -0.225 108.654 108.800 0.132 0.000 2.485 188 G HA2 -0.274 3.682 3.960 -0.006 0.000 0.221 188 G HA3 -0.274 3.682 3.960 -0.006 0.000 0.221 188 G C 1.795 176.829 174.900 0.223 0.000 1.115 188 G CA 0.967 46.144 45.100 0.129 0.000 0.751 188 G HN 0.634 nan 8.290 nan 0.000 0.567 189 A N 0.816 123.752 122.820 0.193 0.000 1.841 189 A HA 0.127 4.443 4.320 -0.006 0.000 0.214 189 A C 2.419 180.206 177.584 0.338 0.000 1.195 189 A CA 1.215 53.412 52.037 0.268 0.000 0.611 189 A CB -0.510 18.589 19.000 0.165 0.000 0.835 189 A HN 0.310 nan 8.150 nan 0.000 0.443 190 L N -0.464 120.889 121.223 0.217 0.000 2.043 190 L HA -0.254 4.083 4.340 -0.006 0.000 0.212 190 L C 2.492 179.493 176.870 0.219 0.000 1.075 190 L CA 1.853 56.845 54.840 0.254 0.000 0.752 190 L CB -0.934 41.158 42.059 0.056 0.000 0.891 190 L HN 0.496 nan 8.230 nan 0.000 0.432 191 E N -0.849 119.320 120.200 -0.052 0.000 2.333 191 E HA -0.229 4.118 4.350 -0.006 0.000 0.200 191 E C 1.921 178.497 176.600 -0.040 0.000 1.010 191 E CA 0.845 57.158 56.400 -0.145 0.000 0.841 191 E CB -0.020 29.500 29.700 -0.300 0.000 0.757 191 E HN 0.594 nan 8.360 nan 0.000 0.508 192 H N -1.669 117.526 119.070 0.208 0.000 2.553 192 H HA -0.041 4.512 4.556 -0.006 0.000 0.276 192 H C 1.567 176.985 175.328 0.150 0.000 0.979 192 H CA 0.454 56.606 56.048 0.173 0.000 1.268 192 H CB -0.057 29.802 29.762 0.162 0.000 1.450 192 H HN 0.226 nan 8.280 nan 0.000 0.527 193 Y N 2.324 122.740 120.300 0.194 0.000 2.038 193 Y HA -0.383 4.163 4.550 -0.006 0.000 0.266 193 Y C 2.352 178.122 175.900 -0.216 0.000 1.220 193 Y CA 2.080 60.102 58.100 -0.128 0.000 1.107 193 Y CB -0.802 37.529 38.460 -0.215 0.000 0.932 193 Y HN -0.107 nan 8.280 nan 0.000 0.500 194 V N 1.228 120.880 119.914 -0.437 0.000 2.220 194 V HA -0.403 3.713 4.120 -0.006 0.000 0.246 194 V C 2.255 178.127 176.094 -0.370 0.000 1.049 194 V CA 2.358 64.330 62.300 -0.547 0.000 1.003 194 V CB -0.913 30.657 31.823 -0.421 0.000 0.634 194 V HN 0.532 nan 8.190 nan 0.000 0.444 195 N N -0.349 118.243 118.700 -0.180 0.000 2.132 195 N HA -0.221 4.515 4.740 -0.006 0.000 0.191 195 N C 1.645 177.038 175.510 -0.196 0.000 1.015 195 N CA 2.092 55.066 53.050 -0.128 0.000 0.864 195 N CB -0.623 37.860 38.487 -0.007 0.000 1.006 195 N HN 0.483 nan 8.380 nan 0.000 0.430 196 C N 0.210 119.382 119.300 -0.212 0.000 2.594 196 C HA 0.194 4.650 4.460 -0.006 0.000 0.265 196 C C 2.436 177.096 174.990 -0.551 0.000 1.351 196 C CA -0.549 58.274 59.018 -0.324 0.000 1.744 196 C CB -1.086 26.576 27.740 -0.130 0.000 1.890 196 C HN 0.324 nan 8.230 nan 0.000 0.551 197 L N 1.439 122.310 121.223 -0.587 0.000 2.376 197 L HA -0.022 4.314 4.340 -0.006 0.000 0.219 197 L C 1.727 178.314 176.870 -0.472 0.000 1.133 197 L CA 1.834 56.282 54.840 -0.654 0.000 0.816 197 L CB -0.736 40.809 42.059 -0.856 0.000 0.933 197 L HN 0.341 nan 8.230 nan 0.000 0.449 198 D N -0.864 119.298 120.400 -0.396 0.000 2.087 198 D HA -0.238 4.398 4.640 -0.006 0.000 0.201 198 D C 2.109 178.226 176.300 -0.304 0.000 0.980 198 D CA 1.228 55.056 54.000 -0.287 0.000 0.849 198 D CB -0.200 40.462 40.800 -0.230 0.000 1.001 198 D HN 0.143 nan 8.370 nan 0.000 0.452 199 L N 0.162 121.167 121.223 -0.363 0.000 2.356 199 L HA -0.172 4.164 4.340 -0.006 0.000 0.219 199 L C 1.104 177.793 176.870 -0.301 0.000 1.095 199 L CA 1.793 56.397 54.840 -0.392 0.000 0.784 199 L CB -0.445 41.209 42.059 -0.675 0.000 0.890 199 L HN 0.326 nan 8.230 nan 0.000 0.441 200 V N -4.117 115.602 119.914 -0.325 0.000 2.802 200 V HA 0.382 4.498 4.120 -0.006 0.000 0.350 200 V C 1.167 177.177 176.094 -0.141 0.000 1.233 200 V CA -0.082 62.109 62.300 -0.182 0.000 1.337 200 V CB 0.028 31.716 31.823 -0.226 0.000 1.497 200 V HN 0.503 nan 8.190 nan 0.000 0.616 201 N N 2.059 120.684 118.700 -0.126 0.000 2.978 201 N HA -0.367 4.370 4.740 -0.006 0.000 0.217 201 N C 1.060 176.503 175.510 -0.112 0.000 0.185 201 N CA 2.867 55.860 53.050 -0.094 0.000 3.809 201 N CB -0.697 37.758 38.487 -0.055 0.000 0.981 201 N HN 0.749 nan 8.380 nan 0.000 0.263 202 K N -0.506 119.829 120.400 -0.108 0.000 1.603 202 K HA 0.101 4.418 4.320 -0.006 0.000 0.100 202 K C -0.989 175.589 176.600 -0.037 0.000 2.121 202 K CA 0.031 56.260 56.287 -0.097 0.000 0.922 202 K CB 0.096 32.552 32.500 -0.073 0.000 2.417 202 K HN 0.172 nan 8.250 nan 0.000 0.361 203 R N 1.174 121.660 120.500 -0.024 0.000 2.490 203 R HA 0.410 4.746 4.340 -0.006 0.000 0.280 203 R C -0.182 176.164 176.300 0.077 0.000 1.077 203 R CA -0.071 56.043 56.100 0.023 0.000 1.065 203 R CB 0.611 30.925 30.300 0.024 0.000 1.003 203 R HN 0.060 nan 8.270 nan 0.000 0.470 204 L N 3.290 124.565 121.223 0.086 0.000 2.319 204 L HA 0.612 4.948 4.340 -0.006 0.000 0.267 204 L C -1.984 174.904 176.870 0.030 0.000 1.011 204 L CA -2.231 52.658 54.840 0.082 0.000 0.818 204 L CB 1.904 44.004 42.059 0.068 0.000 1.316 204 L HN 0.479 nan 8.230 nan 0.000 0.432 205 P HA 0.424 nan 4.420 nan 0.000 0.283 205 P C -1.957 175.034 177.300 -0.515 0.000 1.271 205 P CA -0.395 62.422 63.100 -0.471 0.000 0.841 205 P CB 1.597 32.740 31.700 -0.928 0.000 1.122 206 Y N -2.329 117.495 120.300 -0.793 0.000 2.558 206 Y HA 0.711 5.257 4.550 -0.006 0.000 0.333 206 Y C -0.792 174.877 175.900 -0.384 0.000 1.125 206 Y CA -1.062 56.737 58.100 -0.502 0.000 1.039 206 Y CB 0.745 39.198 38.460 -0.013 0.000 1.331 206 Y HN 0.618 nan 8.280 nan 0.000 0.456 207 G N 2.266 111.067 108.800 0.001 0.000 2.537 207 G HA2 0.684 4.640 3.960 -0.006 0.000 0.323 207 G HA3 0.684 4.640 3.960 -0.006 0.000 0.323 207 G C -1.880 173.235 174.900 0.359 0.000 1.207 207 G CA -1.332 43.861 45.100 0.155 0.000 0.976 207 G HN 0.770 nan 8.290 nan 0.000 0.487 208 L N 1.095 122.456 121.223 0.230 0.000 2.427 208 L HA 0.549 4.886 4.340 -0.006 0.000 0.264 208 L C 0.331 177.298 176.870 0.162 0.000 0.989 208 L CA -0.789 54.232 54.840 0.301 0.000 0.865 208 L CB 1.537 43.831 42.059 0.392 0.000 1.209 208 L HN 0.644 nan 8.230 nan 0.000 0.430 209 A N 3.611 126.525 122.820 0.157 0.000 2.304 209 A HA 0.746 5.063 4.320 -0.006 0.000 0.301 209 A C -0.603 177.158 177.584 0.295 0.000 1.132 209 A CA -0.271 51.857 52.037 0.152 0.000 0.819 209 A CB 1.575 20.515 19.000 -0.099 0.000 1.094 209 A HN 0.718 nan 8.150 nan 0.000 0.492 210 Q N 0.875 120.823 119.800 0.247 0.000 2.352 210 Q HA 0.584 4.920 4.340 -0.006 0.000 0.270 210 Q C -2.143 173.876 176.000 0.032 0.000 1.006 210 Q CA -0.365 55.556 55.803 0.196 0.000 0.880 210 Q CB 1.768 30.570 28.738 0.107 0.000 1.392 210 Q HN 0.725 nan 8.270 nan 0.000 0.401 211 I N 2.905 123.489 120.570 0.023 0.000 2.439 211 I HA 0.760 4.927 4.170 -0.006 0.000 0.285 211 I C -0.026 176.045 176.117 -0.076 0.000 1.021 211 I CA -0.460 60.762 61.300 -0.129 0.000 1.091 211 I CB 1.883 39.800 38.000 -0.139 0.000 1.242 211 I HN 0.735 nan 8.210 nan 0.000 0.439 212 G N 4.580 113.331 108.800 -0.082 0.000 2.600 212 G HA2 0.536 4.492 3.960 -0.006 0.000 0.293 212 G HA3 0.536 4.492 3.960 -0.006 0.000 0.293 212 G C -1.440 173.425 174.900 -0.060 0.000 1.408 212 G CA -0.522 44.554 45.100 -0.039 0.000 0.782 212 G HN 0.199 nan 8.290 nan 0.000 0.482 213 V N -0.577 119.315 119.914 -0.038 0.000 2.649 213 V HA 0.479 4.595 4.120 -0.006 0.000 0.292 213 V C 0.013 175.919 176.094 -0.314 0.000 1.055 213 V CA -0.199 61.992 62.300 -0.182 0.000 1.023 213 V CB 0.900 32.609 31.823 -0.190 0.000 0.992 213 V HN 0.824 nan 8.190 nan 0.000 0.480 214 C N 4.358 123.351 119.300 -0.511 0.000 2.698 214 C HA 0.636 5.092 4.460 -0.006 0.000 0.309 214 C C -0.595 173.950 174.990 -0.741 0.000 1.186 214 C CA -0.956 57.782 59.018 -0.467 0.000 1.474 214 C CB 1.271 28.903 27.740 -0.180 0.000 2.020 214 C HN 0.699 nan 8.230 nan 0.000 0.474 215 F N 2.045 121.976 119.950 -0.031 0.000 2.385 215 F HA 0.462 4.984 4.527 -0.007 0.000 0.360 215 F C 0.687 176.588 175.800 0.169 0.000 1.122 215 F CA -0.194 57.812 58.000 0.011 0.000 1.090 215 F CB 0.271 39.331 39.000 0.100 0.000 1.150 215 F HN 0.565 nan 8.300 nan 0.000 0.472 216 H N 3.182 122.355 119.070 0.172 0.000 2.529 216 H HA 0.350 4.903 4.556 -0.005 0.000 0.348 216 H C -2.460 172.928 175.328 0.100 0.000 1.079 216 H CA -2.347 53.759 56.048 0.097 0.000 1.198 216 H CB 2.144 31.936 29.762 0.049 0.000 1.521 216 H HN 0.348 nan 8.280 nan 0.000 0.514 217 P HA 0.069 nan 4.420 nan 0.000 0.284 217 P C -0.310 177.044 177.300 0.089 0.000 1.253 217 P CA -0.303 62.865 63.100 0.112 0.000 0.800 217 P CB 1.893 33.536 31.700 -0.095 0.000 0.961 230 S N 2.209 118.000 115.700 0.153 0.000 2.722 230 S HA 0.740 5.206 4.470 -0.006 0.000 0.292 230 S C -0.137 174.596 174.600 0.221 0.000 1.135 230 S CA -0.855 57.412 58.200 0.111 0.000 1.003 230 S CB 0.881 64.113 63.200 0.054 0.000 1.067 230 S HN 0.364 nan 8.310 nan 0.000 0.546 231 I N 0.569 121.241 120.570 0.171 0.000 2.404 231 I HA 0.678 4.844 4.170 -0.006 0.000 0.293 231 I C 0.577 176.793 176.117 0.165 0.000 0.992 231 I CA -0.661 60.798 61.300 0.266 0.000 1.149 231 I CB 1.082 39.251 38.000 0.280 0.000 1.315 231 I HN 0.874 nan 8.210 nan 0.000 0.446 232 G N 3.579 112.474 108.800 0.160 0.000 2.388 232 G HA2 0.675 4.631 3.960 -0.006 0.000 0.330 232 G HA3 0.675 4.631 3.960 -0.006 0.000 0.330 232 G C -0.900 173.996 174.900 -0.007 0.000 1.142 232 G CA -0.502 44.625 45.100 0.044 0.000 0.908 232 G HN 0.597 nan 8.290 nan 0.000 0.473 233 E N 0.780 120.919 120.200 -0.101 0.000 2.171 233 E HA 0.417 4.764 4.350 -0.006 0.000 0.271 233 E C -0.712 175.753 176.600 -0.224 0.000 0.916 233 E CA -0.495 55.772 56.400 -0.222 0.000 0.774 233 E CB 2.260 31.889 29.700 -0.119 0.000 1.128 233 E HN 0.313 nan 8.360 nan 0.000 0.403 234 K N 1.250 121.462 120.400 -0.314 0.000 2.464 234 K HA 0.340 4.656 4.320 -0.006 0.000 0.253 234 K C -1.103 175.409 176.600 -0.147 0.000 0.933 234 K CA -0.635 55.548 56.287 -0.173 0.000 0.801 234 K CB 2.347 34.728 32.500 -0.199 0.000 1.271 234 K HN 0.245 nan 8.250 nan 0.000 0.430 235 T N 2.862 117.406 114.554 -0.018 0.000 2.762 235 T HA 0.162 4.508 4.350 -0.006 0.000 0.303 235 T C -0.677 174.002 174.700 -0.036 0.000 0.977 235 T CA -0.380 61.705 62.100 -0.025 0.000 0.961 235 T CB 0.164 69.051 68.868 0.032 0.000 0.944 235 T HN 0.369 nan 8.240 nan 0.000 0.481 236 E N 1.752 121.906 120.200 -0.077 0.000 2.214 236 E HA 0.654 5.000 4.350 -0.006 0.000 0.274 236 E C -0.590 175.883 176.600 -0.211 0.000 0.977 236 E CA -1.033 55.314 56.400 -0.088 0.000 0.827 236 E CB 1.750 31.432 29.700 -0.031 0.000 1.130 236 E HN 0.548 nan 8.360 nan 0.000 0.394 237 A N 1.739 124.344 122.820 -0.357 0.000 2.287 237 A HA 0.447 4.764 4.320 -0.006 0.000 0.317 237 A C -0.535 176.757 177.584 -0.485 0.000 1.220 237 A CA -0.529 51.038 52.037 -0.782 0.000 0.835 237 A CB 1.245 19.264 19.000 -1.635 0.000 1.180 237 A HN 0.360 nan 8.150 nan 0.000 0.500 238 S N 2.150 117.655 115.700 -0.324 0.000 2.561 238 S HA 0.616 5.082 4.470 -0.006 0.000 0.303 238 S C -1.325 173.303 174.600 0.045 0.000 1.110 238 S CA -0.478 57.678 58.200 -0.072 0.000 1.034 238 S CB 0.844 64.025 63.200 -0.032 0.000 1.010 238 S HN 1.183 nan 8.310 nan 0.000 0.482 239 L N 6.282 127.522 121.223 0.029 0.000 2.325 239 L HA 0.742 5.079 4.340 -0.006 0.000 0.281 239 L C -1.427 175.320 176.870 -0.204 0.000 1.004 239 L CA -0.380 54.401 54.840 -0.097 0.000 0.823 239 L CB 1.605 43.460 42.059 -0.340 0.000 1.236 239 L HN 0.450 nan 8.230 nan 0.000 0.415 240 V N 5.422 125.216 119.914 -0.200 0.000 2.357 240 V HA 0.269 4.385 4.120 -0.006 0.000 0.284 240 V C -0.631 175.156 176.094 -0.513 0.000 1.018 240 V CA -0.493 61.598 62.300 -0.348 0.000 0.841 240 V CB 1.362 32.964 31.823 -0.370 0.000 0.991 240 V HN 0.801 nan 8.190 nan 0.000 0.437 241 W N 5.807 126.678 121.300 -0.716 0.000 2.331 241 W HA 0.475 5.132 4.660 -0.006 0.000 0.306 241 W C -1.161 174.956 176.519 -0.670 0.000 1.162 241 W CA -0.753 56.199 57.345 -0.656 0.000 1.232 241 W CB 1.283 30.441 29.460 -0.503 0.000 1.235 241 W HN 0.497 nan 8.180 nan 0.000 0.479 242 F N 4.475 123.985 119.950 -0.734 0.000 2.425 242 F HA 0.153 4.677 4.527 -0.006 0.000 0.354 242 F C 0.901 176.339 175.800 -0.603 0.000 1.162 242 F CA -0.092 57.552 58.000 -0.592 0.000 1.250 242 F CB 0.371 38.987 39.000 -0.639 0.000 1.579 242 F HN -0.029 nan 8.300 nan 0.000 0.589 243 T N 3.598 117.982 114.554 -0.284 0.000 2.918 243 T HA 0.507 4.853 4.350 -0.006 0.000 0.286 243 T C -2.791 171.941 174.700 0.053 0.000 1.026 243 T CA -2.733 59.274 62.100 -0.155 0.000 1.031 243 T CB 1.517 70.356 68.868 -0.048 0.000 1.046 243 T HN 0.106 nan 8.240 nan 0.000 0.479 244 P HA 0.271 nan 4.420 nan 0.000 0.275 244 P C -2.271 175.119 177.300 0.150 0.000 1.227 244 P CA -1.424 61.749 63.100 0.122 0.000 0.781 244 P CB 0.641 32.412 31.700 0.119 0.000 0.906 245 P HA -0.240 nan 4.420 nan 0.000 0.222 245 P C 1.753 179.122 177.300 0.115 0.000 1.155 245 P CA 1.890 65.053 63.100 0.106 0.000 0.890 245 P CB -0.129 31.618 31.700 0.080 0.000 0.790 246 R N -0.830 119.736 120.500 0.111 0.000 2.070 246 R HA -0.114 4.223 4.340 -0.006 0.000 0.232 246 R C 1.824 178.192 176.300 0.115 0.000 1.138 246 R CA 2.591 58.749 56.100 0.096 0.000 0.936 246 R CB -0.966 29.383 30.300 0.081 0.000 0.839 246 R HN 0.164 nan 8.270 nan 0.000 0.429 247 T N -0.066 114.593 114.554 0.174 0.000 3.023 247 T HA -0.060 4.286 4.350 -0.006 0.000 0.266 247 T C 1.729 176.634 174.700 0.341 0.000 1.093 247 T CA 0.766 62.990 62.100 0.206 0.000 1.129 247 T CB -0.176 68.899 68.868 0.346 0.000 0.899 247 T HN 0.306 nan 8.240 nan 0.000 0.491 248 S N 2.732 118.636 115.700 0.340 0.000 2.452 248 S HA -0.379 4.087 4.470 -0.006 0.000 0.253 248 S C 2.104 176.886 174.600 0.305 0.000 1.061 248 S CA 2.036 60.433 58.200 0.328 0.000 1.273 248 S CB -0.924 62.395 63.200 0.197 0.000 1.191 248 S HN 0.614 nan 8.310 nan 0.000 0.430 249 N N 0.176 118.994 118.700 0.197 0.000 2.430 249 N HA -0.177 4.559 4.740 -0.006 0.000 0.186 249 N C 1.847 177.447 175.510 0.150 0.000 1.032 249 N CA 1.503 54.649 53.050 0.160 0.000 0.893 249 N CB -0.265 38.288 38.487 0.109 0.000 0.957 249 N HN 0.532 nan 8.380 nan 0.000 0.442 250 Q N -0.138 119.743 119.800 0.134 0.000 2.033 250 Q HA -0.024 4.312 4.340 -0.006 0.000 0.196 250 Q C 1.610 177.653 176.000 0.072 0.000 0.970 250 Q CA 1.579 57.401 55.803 0.032 0.000 0.828 250 Q CB -0.641 28.044 28.738 -0.089 0.000 0.895 250 Q HN 0.357 nan 8.270 nan 0.000 0.440 251 W N 0.354 121.762 121.300 0.181 0.000 2.342 251 W HA -0.194 4.462 4.660 -0.006 0.000 0.297 251 W C 1.971 178.673 176.519 0.305 0.000 1.213 251 W CA 0.843 58.343 57.345 0.258 0.000 1.251 251 W CB -0.333 29.406 29.460 0.465 0.000 1.136 251 W HN 0.222 nan 8.180 nan 0.000 0.526 252 L N 0.926 122.447 121.223 0.497 0.000 2.081 252 L HA -0.252 4.084 4.340 -0.006 0.000 0.212 252 L C 1.515 178.540 176.870 0.260 0.000 1.080 252 L CA 2.226 57.282 54.840 0.360 0.000 0.754 252 L CB -1.201 41.003 42.059 0.241 0.000 0.893 252 L HN 0.064 nan 8.230 nan 0.000 0.433 253 D N -0.442 120.073 120.400 0.191 0.000 2.078 253 D HA -0.259 4.377 4.640 -0.006 0.000 0.193 253 D C 1.996 178.364 176.300 0.113 0.000 0.990 253 D CA 1.367 55.435 54.000 0.114 0.000 0.827 253 D CB -0.559 40.280 40.800 0.065 0.000 0.975 253 D HN 0.337 nan 8.370 nan 0.000 0.451 254 F N 0.934 120.832 119.950 -0.085 0.000 2.045 254 F HA -0.264 4.260 4.527 -0.006 0.000 0.297 254 F C 2.173 177.832 175.800 -0.236 0.000 1.114 254 F CA 1.663 59.517 58.000 -0.244 0.000 1.207 254 F CB -0.907 37.834 39.000 -0.431 0.000 0.964 254 F HN 0.019 nan 8.300 nan 0.000 0.486 255 W N -0.209 121.044 121.300 -0.079 0.000 2.363 255 W HA -0.155 4.501 4.660 -0.006 0.000 0.296 255 W C 2.285 178.723 176.519 -0.134 0.000 1.212 255 W CA 0.779 57.971 57.345 -0.255 0.000 1.260 255 W CB -0.766 28.578 29.460 -0.192 0.000 1.131 255 W HN 0.148 nan 8.180 nan 0.000 0.530 256 L N 0.947 122.256 121.223 0.143 0.000 2.046 256 L HA -0.109 4.227 4.340 -0.006 0.000 0.208 256 L C 2.491 179.404 176.870 0.073 0.000 1.077 256 L CA 1.864 56.768 54.840 0.107 0.000 0.747 256 L CB -0.910 41.193 42.059 0.073 0.000 0.896 256 L HN -0.073 nan 8.230 nan 0.000 0.432 257 R N -1.442 119.057 120.500 -0.001 0.000 2.075 257 R HA -0.227 4.110 4.340 -0.006 0.000 0.230 257 R C 2.513 178.775 176.300 -0.063 0.000 1.140 257 R CA 1.609 57.685 56.100 -0.040 0.000 0.928 257 R CB -0.685 29.568 30.300 -0.079 0.000 0.834 257 R HN 0.577 nan 8.270 nan 0.000 0.429 258 H N 0.750 119.611 119.070 -0.348 0.000 2.265 258 H HA -0.177 4.375 4.556 -0.006 0.000 0.293 258 H C 2.010 177.301 175.328 -0.062 0.000 1.089 258 H CA 2.093 57.929 56.048 -0.354 0.000 1.244 258 H CB 0.092 29.414 29.762 -0.733 0.000 1.355 258 H HN 0.066 nan 8.280 nan 0.000 0.485 259 R N 0.387 121.066 120.500 0.299 0.000 2.082 259 R HA -0.131 4.205 4.340 -0.006 0.000 0.234 259 R C 2.699 179.260 176.300 0.435 0.000 1.136 259 R CA 1.103 57.416 56.100 0.354 0.000 0.935 259 R CB -1.422 29.075 30.300 0.329 0.000 0.842 259 R HN 0.348 nan 8.270 nan 0.000 0.430 260 L N 2.098 123.514 121.223 0.321 0.000 2.013 260 L HA -0.220 4.116 4.340 -0.006 0.000 0.212 260 L C 2.246 179.248 176.870 0.220 0.000 1.073 260 L CA 1.840 56.859 54.840 0.298 0.000 0.753 260 L CB -0.723 41.439 42.059 0.170 0.000 0.890 260 L HN 0.241 nan 8.230 nan 0.000 0.432 261 Q N -2.006 117.854 119.800 0.101 0.000 2.135 261 Q HA -0.281 4.055 4.340 -0.006 0.000 0.204 261 Q C 2.060 178.046 176.000 -0.024 0.000 0.981 261 Q CA 2.075 57.877 55.803 -0.001 0.000 0.856 261 Q CB -0.556 28.132 28.738 -0.085 0.000 0.902 261 Q HN 0.712 nan 8.270 nan 0.000 0.425 262 W N 0.370 121.569 121.300 -0.168 0.000 2.355 262 W HA -0.202 4.454 4.660 -0.007 0.000 0.309 262 W C 1.351 177.775 176.519 -0.159 0.000 1.206 262 W CA 1.323 58.529 57.345 -0.231 0.000 1.284 262 W CB -0.511 28.805 29.460 -0.241 0.000 1.145 262 W HN 0.127 nan 8.180 nan 0.000 0.502 263 W N 0.272 121.607 121.300 0.059 0.000 2.363 263 W HA -0.124 4.532 4.660 -0.006 0.000 0.296 263 W C 2.552 178.710 176.519 -0.602 0.000 1.212 263 W CA 1.762 58.931 57.345 -0.293 0.000 1.260 263 W CB -0.702 28.529 29.460 -0.381 0.000 1.131 263 W HN -0.228 nan 8.180 nan 0.000 0.530 264 R N 0.382 120.760 120.500 -0.203 0.000 2.115 264 R HA -0.099 4.237 4.340 -0.006 0.000 0.226 264 R C 2.071 178.234 176.300 -0.227 0.000 1.100 264 R CA 1.098 57.089 56.100 -0.182 0.000 0.980 264 R CB -0.507 29.764 30.300 -0.049 0.000 0.875 264 R HN 0.109 nan 8.270 nan 0.000 0.445 265 K N 0.360 120.503 120.400 -0.427 0.000 2.228 265 K HA -0.179 4.137 4.320 -0.006 0.000 0.205 265 K C 0.398 176.506 176.600 -0.819 0.000 1.045 265 K CA 1.472 57.327 56.287 -0.720 0.000 0.931 265 K CB 0.053 31.860 32.500 -1.157 0.000 0.727 265 K HN 0.140 nan 8.250 nan 0.000 0.458 266 F N -0.640 119.145 119.950 -0.276 0.000 2.688 266 F HA 0.358 4.882 4.527 -0.005 0.000 0.310 266 F C 0.457 176.263 175.800 0.010 0.000 1.098 266 F CA -0.596 57.274 58.000 -0.216 0.000 1.228 266 F CB 0.463 38.984 39.000 -0.798 0.000 1.042 266 F HN -0.108 nan 8.300 nan 0.000 0.557 267 A N 0.513 123.462 122.820 0.214 0.000 2.302 267 A HA 0.518 4.834 4.320 -0.006 0.000 0.285 267 A C 1.092 178.791 177.584 0.193 0.000 1.105 267 A CA -0.334 51.892 52.037 0.315 0.000 0.816 267 A CB 0.789 19.964 19.000 0.292 0.000 1.067 267 A HN 0.270 nan 8.150 nan 0.000 0.489 268 M N 0.424 120.146 119.600 0.203 0.000 2.466 268 M HA 0.034 4.510 4.480 -0.006 0.000 0.265 268 M C 0.229 176.600 176.300 0.118 0.000 1.122 268 M CA 0.887 56.262 55.300 0.124 0.000 1.157 268 M CB 0.126 32.795 32.600 0.115 0.000 1.352 268 M HN 0.619 nan 8.290 nan 0.000 0.464 269 S N 1.403 117.206 115.700 0.171 0.000 2.143 269 S HA 0.232 4.698 4.470 -0.006 0.000 0.188 269 S C -1.819 172.911 174.600 0.217 0.000 1.431 269 S CA -0.972 57.318 58.200 0.149 0.000 1.253 269 S CB 0.318 63.594 63.200 0.127 0.000 1.137 269 S HN 0.178 nan 8.310 nan 0.000 0.457 270 P HA -0.089 nan 4.420 nan 0.000 0.231 270 P C 0.867 178.295 177.300 0.212 0.000 1.154 270 P CA 0.865 64.103 63.100 0.231 0.000 0.762 270 P CB -0.023 31.740 31.700 0.105 0.000 0.790 271 S N 0.107 115.892 115.700 0.141 0.000 2.436 271 S HA -0.012 4.454 4.470 -0.006 0.000 0.228 271 S C 1.468 176.097 174.600 0.049 0.000 1.014 271 S CA 0.655 58.900 58.200 0.076 0.000 0.950 271 S CB -0.536 62.684 63.200 0.032 0.000 0.784 271 S HN 0.282 nan 8.310 nan 0.000 0.504 272 N N 0.642 119.374 118.700 0.055 0.000 2.370 272 N HA 0.182 4.918 4.740 -0.006 0.000 0.198 272 N C -0.970 174.413 175.510 -0.211 0.000 1.156 272 N CA 0.267 53.233 53.050 -0.141 0.000 0.839 272 N CB -0.016 38.309 38.487 -0.269 0.000 0.989 272 N HN 0.295 nan 8.380 nan 0.000 0.468 273 F N 0.825 120.806 119.950 0.052 0.000 2.382 273 F HA 0.279 4.802 4.527 -0.006 0.000 0.361 273 F C 0.525 176.337 175.800 0.020 0.000 1.109 273 F CA -0.856 57.173 58.000 0.047 0.000 1.031 273 F CB 1.058 40.098 39.000 0.066 0.000 1.234 273 F HN -0.195 nan 8.300 nan 0.000 0.445 274 S N 1.218 116.995 115.700 0.128 0.000 2.677 274 S HA 0.890 5.356 4.470 -0.006 0.000 0.304 274 S C -0.320 174.372 174.600 0.154 0.000 1.108 274 S CA -0.705 57.559 58.200 0.107 0.000 0.944 274 S CB 1.830 65.044 63.200 0.023 0.000 1.127 274 S HN 0.511 nan 8.310 nan 0.000 0.511 275 S N 0.091 115.864 115.700 0.121 0.000 2.689 275 S HA 0.929 5.395 4.470 -0.006 0.000 0.306 275 S C -0.397 174.268 174.600 0.108 0.000 1.104 275 S CA -0.236 58.041 58.200 0.129 0.000 0.973 275 S CB 1.234 64.486 63.200 0.085 0.000 1.121 275 S HN 1.879 nan 8.310 nan 0.000 0.523 276 S N -0.031 115.732 115.700 0.106 0.000 2.615 276 S HA 0.651 5.117 4.470 -0.006 0.000 0.269 276 S C -1.909 172.702 174.600 0.019 0.000 1.161 276 S CA -0.909 57.329 58.200 0.063 0.000 0.817 276 S CB 1.057 64.317 63.200 0.101 0.000 1.131 276 S HN 0.663 nan 8.310 nan 0.000 0.467 277 D N 0.160 120.562 120.400 0.003 0.000 2.549 277 D HA 0.861 5.498 4.640 -0.006 0.000 0.270 277 D C 0.223 176.513 176.300 -0.016 0.000 1.181 277 D CA 0.175 54.166 54.000 -0.016 0.000 1.070 277 D CB 1.159 41.960 40.800 0.002 0.000 1.154 277 D HN 1.444 nan 8.370 nan 0.000 0.602 278 C N -1.627 117.669 119.300 -0.006 0.000 2.542 278 C HA 0.490 4.946 4.460 -0.006 0.000 0.274 278 C C -2.140 172.933 174.990 0.139 0.000 1.201 278 C CA -1.029 58.023 59.018 0.058 0.000 1.207 278 C CB -0.042 27.734 27.740 0.060 0.000 1.214 278 C HN 0.870 nan 8.230 nan 0.000 0.500 279 Q N 1.039 121.015 119.800 0.293 0.000 2.702 279 Q HA 0.578 4.914 4.340 -0.006 0.000 0.289 279 Q C -1.247 174.935 176.000 0.304 0.000 0.923 279 Q CA 0.045 56.094 55.803 0.411 0.000 0.787 279 Q CB 1.309 30.188 28.738 0.236 0.000 1.476 279 Q HN 1.610 nan 8.270 nan 0.000 0.402 280 D N 0.690 121.209 120.400 0.198 0.000 3.830 280 D HA -0.136 4.500 4.640 -0.006 0.000 0.247 280 D C -0.328 175.908 176.300 -0.108 0.000 1.073 280 D CA 1.258 55.274 54.000 0.026 0.000 1.116 280 D CB 0.013 40.846 40.800 0.054 0.000 0.909 280 D HN 0.772 nan 8.370 nan 0.000 0.418 281 E N 2.167 122.145 120.200 -0.369 0.000 2.653 281 E HA 0.065 4.412 4.350 -0.006 0.000 0.218 281 E C 0.301 176.633 176.600 -0.447 0.000 0.911 281 E CA 0.271 56.389 56.400 -0.469 0.000 1.355 281 E CB 0.521 29.742 29.700 -0.799 0.000 1.314 281 E HN 0.576 nan 8.360 nan 0.000 0.686 282 E N -0.817 119.148 120.200 -0.391 0.000 2.569 282 E HA 0.192 4.538 4.350 -0.006 0.000 0.085 282 E C -0.167 176.382 176.600 -0.086 0.000 0.760 282 E CA 0.311 56.579 56.400 -0.220 0.000 1.499 282 E CB 0.516 30.041 29.700 -0.291 0.000 0.969 282 E HN 0.266 nan 8.360 nan 0.000 0.392 283 G N 1.280 110.032 108.800 -0.080 0.000 2.345 283 G HA2 0.231 4.188 3.960 -0.006 0.000 0.285 283 G HA3 0.231 4.188 3.960 -0.006 0.000 0.285 283 G C -1.762 173.160 174.900 0.038 0.000 1.297 283 G CA -0.847 44.251 45.100 -0.003 0.000 0.875 283 G HN 0.051 nan 8.290 nan 0.000 0.506 284 R N -0.550 120.006 120.500 0.093 0.000 2.513 284 R HA 0.843 5.179 4.340 -0.006 0.000 0.301 284 R C -0.877 175.553 176.300 0.217 0.000 0.968 284 R CA -0.907 55.289 56.100 0.160 0.000 0.872 284 R CB 1.927 32.296 30.300 0.115 0.000 1.177 284 R HN 0.745 nan 8.270 nan 0.000 0.444 285 K N 0.696 121.282 120.400 0.310 0.000 2.181 285 K HA 0.047 4.363 4.320 -0.006 0.000 1.038 285 K C -1.585 175.162 176.600 0.245 0.000 0.943 285 K CA 0.917 57.343 56.287 0.232 0.000 0.927 285 K CB -0.732 31.864 32.500 0.159 0.000 3.432 285 K HN 1.190 nan 8.250 nan 0.000 0.113 286 G N 2.718 111.482 108.800 -0.060 0.000 2.667 286 G HA2 0.544 4.500 3.960 -0.006 0.000 0.294 286 G HA3 0.544 4.500 3.960 -0.006 0.000 0.294 286 G C -1.438 173.111 174.900 -0.586 0.000 1.467 286 G CA -0.841 43.890 45.100 -0.616 0.000 0.852 286 G HN 0.376 nan 8.290 nan 0.000 0.521 287 N N 0.008 118.404 118.700 -0.507 0.000 2.619 287 N HA 0.651 5.387 4.740 -0.006 0.000 0.294 287 N C -0.895 174.435 175.510 -0.300 0.000 1.279 287 N CA -0.552 52.328 53.050 -0.284 0.000 0.867 287 N CB 2.319 40.733 38.487 -0.121 0.000 1.329 287 N HN 0.435 nan 8.380 nan 0.000 0.557 288 K N 0.547 120.873 120.400 -0.123 0.000 2.523 288 K HA 0.431 4.748 4.320 -0.006 0.000 0.257 288 K C -1.302 175.225 176.600 -0.121 0.000 0.932 288 K CA -0.699 55.490 56.287 -0.162 0.000 0.812 288 K CB 2.035 34.456 32.500 -0.132 0.000 1.326 288 K HN 0.183 nan 8.250 nan 0.000 0.433 289 L N 3.230 124.303 121.223 -0.250 0.000 2.295 289 L HA 0.485 4.821 4.340 -0.006 0.000 0.285 289 L C -0.729 175.897 176.870 -0.407 0.000 1.035 289 L CA -0.415 54.324 54.840 -0.170 0.000 0.806 289 L CB 0.399 42.385 42.059 -0.121 0.000 1.214 289 L HN 0.616 nan 8.230 nan 0.000 0.426 290 Y N 2.487 122.721 120.300 -0.110 0.000 2.562 290 Y HA 0.454 5.000 4.550 -0.006 0.000 0.343 290 Y C -0.613 175.130 175.900 -0.261 0.000 1.025 290 Y CA -0.684 57.321 58.100 -0.158 0.000 1.082 290 Y CB 2.292 40.666 38.460 -0.143 0.000 1.264 290 Y HN 0.410 nan 8.280 nan 0.000 0.478 291 Y N 2.132 122.208 120.300 -0.374 0.000 2.361 291 Y HA 0.375 4.922 4.550 -0.006 0.000 0.337 291 Y C -0.684 174.786 175.900 -0.717 0.000 0.965 291 Y CA -1.694 55.901 58.100 -0.842 0.000 1.091 291 Y CB 1.214 38.932 38.460 -1.237 0.000 1.182 291 Y HN 0.605 nan 8.280 nan 0.000 0.450 292 N N 6.578 124.292 118.700 -1.643 0.000 2.549 292 N HA 0.056 4.792 4.740 -0.006 0.000 0.267 292 N C -1.100 173.492 175.510 -1.530 0.000 1.182 292 N CA 0.354 52.663 53.050 -1.235 0.000 1.019 292 N CB -0.370 37.662 38.487 -0.758 0.000 1.380 292 N HN 0.449 nan 8.380 nan 0.000 0.505 293 F N 2.658 121.813 119.950 -1.325 0.000 2.471 293 F HA 0.195 4.718 4.527 -0.006 0.000 0.353 293 F C -0.860 174.308 175.800 -1.053 0.000 1.113 293 F CA -1.715 55.430 58.000 -1.424 0.000 1.262 293 F CB 0.511 38.101 39.000 -2.349 0.000 1.146 293 F HN 0.370 nan 8.300 nan 0.000 0.578 294 P HA -0.197 nan 4.420 nan 0.000 0.228 294 P C -0.015 177.299 177.300 0.023 0.000 1.143 294 P CA 1.357 64.379 63.100 -0.130 0.000 0.771 294 P CB -0.409 31.344 31.700 0.088 0.000 0.764 295 W N -2.870 118.388 121.300 -0.071 0.000 2.499 295 W HA 0.624 5.280 4.660 -0.007 0.000 0.362 295 W C -0.037 176.444 176.519 -0.063 0.000 0.945 295 W CA 0.084 57.394 57.345 -0.059 0.000 1.721 295 W CB -0.084 29.340 29.460 -0.061 0.000 1.156 295 W HN 0.009 nan 8.180 nan 0.000 0.547 296 G N 1.913 110.520 108.800 -0.322 0.000 2.697 296 G HA2 -0.083 3.874 3.960 -0.006 0.000 0.684 296 G HA3 -0.083 3.874 3.960 -0.006 0.000 0.684 296 G C -0.462 174.249 174.900 -0.314 0.000 1.274 296 G CA -1.244 43.713 45.100 -0.239 0.000 0.806 296 G HN 0.236 nan 8.290 nan 0.000 0.644 297 K N 0.530 120.779 120.400 -0.252 0.000 2.579 297 K HA 0.175 4.492 4.320 -0.006 0.000 0.277 297 K C 0.196 176.812 176.600 0.027 0.000 0.985 297 K CA 1.035 57.218 56.287 -0.173 0.000 1.088 297 K CB 0.372 32.763 32.500 -0.182 0.000 0.836 297 K HN 0.616 nan 8.250 nan 0.000 0.487 298 E N 2.197 122.481 120.200 0.141 0.000 2.308 298 E HA 0.243 4.589 4.350 -0.006 0.000 0.275 298 E C -1.284 175.412 176.600 0.160 0.000 0.890 298 E CA -0.583 55.958 56.400 0.235 0.000 0.754 298 E CB 1.135 31.032 29.700 0.328 0.000 1.207 298 E HN 0.378 nan 8.360 nan 0.000 0.426 299 L N 5.739 126.982 121.223 0.033 0.000 2.485 299 L HA 0.203 4.540 4.340 -0.006 0.000 0.275 299 L C 0.753 177.536 176.870 -0.145 0.000 1.207 299 L CA 0.593 55.258 54.840 -0.292 0.000 0.855 299 L CB 0.379 42.298 42.059 -0.233 0.000 1.114 299 L HN 0.808 nan 8.230 nan 0.000 0.485 300 I N -0.452 119.971 120.570 -0.245 0.000 4.706 300 I HA 0.386 4.552 4.170 -0.006 0.000 0.321 300 I C 0.141 176.229 176.117 -0.047 0.000 1.249 300 I CA -0.271 60.939 61.300 -0.150 0.000 1.321 300 I CB 0.900 38.657 38.000 -0.404 0.000 1.342 300 I HN 0.531 nan 8.210 nan 0.000 0.463 301 E N 2.150 122.287 120.200 -0.105 0.000 2.321 301 E HA 0.454 4.800 4.350 -0.006 0.000 0.278 301 E C -1.093 175.482 176.600 -0.041 0.000 0.902 301 E CA -0.531 55.903 56.400 0.057 0.000 0.758 301 E CB 2.144 32.023 29.700 0.298 0.000 1.213 301 E HN 0.309 nan 8.360 nan 0.000 0.426 302 T N 1.229 115.778 114.554 -0.008 0.000 2.887 302 T HA 0.721 5.068 4.350 -0.006 0.000 0.288 302 T C -0.775 173.866 174.700 -0.098 0.000 1.021 302 T CA -0.732 61.314 62.100 -0.090 0.000 1.000 302 T CB 0.945 69.805 68.868 -0.013 0.000 1.034 302 T HN 0.233 nan 8.240 nan 0.000 0.467 303 L N 1.762 122.819 121.223 -0.276 0.000 2.341 303 L HA 0.838 5.174 4.340 -0.006 0.000 0.267 303 L C -1.046 175.568 176.870 -0.426 0.000 1.009 303 L CA -0.480 54.239 54.840 -0.202 0.000 0.819 303 L CB 2.084 44.082 42.059 -0.100 0.000 1.323 303 L HN 0.819 nan 8.230 nan 0.000 0.425 304 W N 0.800 122.118 121.300 0.029 0.000 3.479 304 W HA 0.334 4.991 4.660 -0.006 0.000 0.304 304 W C -0.563 175.971 176.519 0.024 0.000 1.243 304 W CA -0.549 56.812 57.345 0.027 0.000 1.202 304 W CB 1.455 30.922 29.460 0.011 0.000 1.346 304 W HN 0.275 nan 8.180 nan 0.000 0.539 305 N N 3.351 122.277 118.700 0.377 0.000 2.816 305 N HA 0.223 4.959 4.740 -0.006 0.000 0.236 305 N C 0.378 175.967 175.510 0.131 0.000 1.076 305 N CA -0.072 53.104 53.050 0.209 0.000 0.902 305 N CB 0.661 39.257 38.487 0.180 0.000 1.149 305 N HN 0.586 nan 8.380 nan 0.000 0.506 306 L N 1.565 122.828 121.223 0.066 0.000 2.275 306 L HA 0.113 4.450 4.340 -0.006 0.000 0.215 306 L C 1.551 178.310 176.870 -0.185 0.000 1.119 306 L CA 0.717 55.530 54.840 -0.045 0.000 0.790 306 L CB -0.798 41.241 42.059 -0.034 0.000 0.919 306 L HN 0.631 nan 8.230 nan 0.000 0.443 307 G N 1.265 109.989 108.800 -0.125 0.000 2.584 307 G HA2 -0.308 3.648 3.960 -0.006 0.000 0.229 307 G HA3 -0.308 3.648 3.960 -0.006 0.000 0.229 307 G C 0.018 174.846 174.900 -0.119 0.000 1.320 307 G CA 0.121 45.111 45.100 -0.184 0.000 0.891 307 G HN 0.380 nan 8.290 nan 0.000 0.573 308 D N -0.982 119.367 120.400 -0.085 0.000 2.349 308 D HA 0.080 4.717 4.640 -0.006 0.000 0.215 308 D C 1.338 177.711 176.300 0.120 0.000 1.016 308 D CA 1.428 55.442 54.000 0.024 0.000 0.870 308 D CB -0.657 40.176 40.800 0.055 0.000 0.917 308 D HN 0.833 nan 8.370 nan 0.000 0.524 309 H N 1.316 120.403 119.070 0.028 0.000 2.708 309 H HA -0.199 4.353 4.556 -0.006 0.000 0.294 309 H C 1.496 176.850 175.328 0.044 0.000 1.048 309 H CA 1.791 57.858 56.048 0.031 0.000 1.090 309 H CB -0.034 29.732 29.762 0.007 0.000 1.475 309 H HN 0.140 nan 8.280 nan 0.000 0.721 310 E N 0.385 120.682 120.200 0.161 0.000 2.267 310 E HA -0.156 4.191 4.350 -0.006 0.000 0.197 310 E C 2.031 178.684 176.600 0.088 0.000 0.998 310 E CA 0.606 57.048 56.400 0.070 0.000 0.830 310 E CB -0.075 29.630 29.700 0.007 0.000 0.751 310 E HN 0.227 nan 8.360 nan 0.000 0.491 311 L N 0.258 121.541 121.223 0.101 0.000 2.017 311 L HA -0.128 4.209 4.340 -0.006 0.000 0.208 311 L C 1.857 178.846 176.870 0.197 0.000 1.073 311 L CA 1.639 56.560 54.840 0.135 0.000 0.745 311 L CB -0.493 41.584 42.059 0.029 0.000 0.894 311 L HN 0.191 nan 8.230 nan 0.000 0.432 312 L N -1.651 119.662 121.223 0.151 0.000 2.027 312 L HA -0.249 4.087 4.340 -0.006 0.000 0.206 312 L C 2.570 179.524 176.870 0.140 0.000 1.074 312 L CA 1.620 56.544 54.840 0.139 0.000 0.745 312 L CB -0.803 41.319 42.059 0.104 0.000 0.898 312 L HN 0.426 nan 8.230 nan 0.000 0.433 313 H N -0.267 118.820 119.070 0.028 0.000 2.456 313 H HA -0.222 4.330 4.556 -0.006 0.000 0.296 313 H C 2.338 177.642 175.328 -0.040 0.000 1.079 313 H CA 1.687 57.732 56.048 -0.005 0.000 1.322 313 H CB 0.218 29.974 29.762 -0.010 0.000 1.388 313 H HN 0.234 nan 8.280 nan 0.000 0.538 314 M N -0.329 119.345 119.600 0.125 0.000 2.287 314 M HA -0.053 4.424 4.480 -0.006 0.000 0.266 314 M C -0.215 175.922 176.300 -0.272 0.000 1.079 314 M CA 1.074 56.303 55.300 -0.120 0.000 1.146 314 M CB 0.557 32.929 32.600 -0.381 0.000 1.374 314 M HN 0.157 nan 8.290 nan 0.000 0.435 315 Y N 2.305 122.636 120.300 0.053 0.000 2.921 315 Y HA 0.406 4.952 4.550 -0.006 0.000 0.346 315 Y C -2.071 173.831 175.900 0.004 0.000 1.182 315 Y CA -3.206 54.909 58.100 0.025 0.000 1.319 315 Y CB -0.787 37.694 38.460 0.034 0.000 1.403 315 Y HN 0.215 nan 8.280 nan 0.000 0.554 316 P HA 0.349 nan 4.420 nan 0.000 0.275 316 P C 0.737 178.066 177.300 0.047 0.000 1.270 316 P CA 0.588 63.710 63.100 0.037 0.000 0.791 316 P CB 1.437 33.128 31.700 -0.016 0.000 1.089 317 G N -0.080 108.730 108.800 0.017 0.000 2.527 317 G HA2 -0.228 3.728 3.960 -0.006 0.000 0.227 317 G HA3 -0.228 3.728 3.960 -0.006 0.000 0.227 317 G C -0.250 174.651 174.900 0.000 0.000 1.291 317 G CA -0.165 44.941 45.100 0.010 0.000 0.904 317 G HN 0.875 nan 8.290 nan 0.000 0.577 318 N N -0.010 118.685 118.700 -0.009 0.000 2.315 318 N HA 0.139 4.875 4.740 -0.006 0.000 0.270 318 N C 1.531 177.002 175.510 -0.066 0.000 1.329 318 N CA 0.506 53.537 53.050 -0.031 0.000 0.860 318 N CB 0.809 39.278 38.487 -0.030 0.000 1.095 318 N HN 0.847 nan 8.380 nan 0.000 0.487 319 V N 3.225 123.085 119.914 -0.091 0.000 2.719 319 V HA -0.108 4.008 4.120 -0.006 0.000 0.252 319 V C 1.514 177.362 176.094 -0.410 0.000 1.065 319 V CA 1.548 63.746 62.300 -0.169 0.000 1.086 319 V CB -0.060 31.694 31.823 -0.116 0.000 0.700 319 V HN 0.695 nan 8.190 nan 0.000 0.467 320 S N -0.308 115.215 115.700 -0.296 0.000 2.727 320 S HA -0.038 4.428 4.470 -0.006 0.000 0.226 320 S C 1.612 176.123 174.600 -0.148 0.000 0.963 320 S CA 0.813 58.856 58.200 -0.262 0.000 0.950 320 S CB -0.271 62.959 63.200 0.050 0.000 0.779 320 S HN 0.666 nan 8.310 nan 0.000 0.532 321 K N 0.458 120.743 120.400 -0.192 0.000 2.354 321 K HA 0.221 4.537 4.320 -0.006 0.000 0.194 321 K C 0.939 177.448 176.600 -0.152 0.000 1.045 321 K CA 0.159 56.372 56.287 -0.124 0.000 1.026 321 K CB 0.215 32.654 32.500 -0.101 0.000 0.866 321 K HN 0.272 nan 8.250 nan 0.000 0.530 322 L N 0.418 121.524 121.223 -0.195 0.000 2.583 322 L HA 0.139 4.475 4.340 -0.006 0.000 0.165 322 L C 0.236 177.172 176.870 0.110 0.000 1.560 322 L CA -0.230 54.590 54.840 -0.032 0.000 3.120 322 L CB -0.841 41.193 42.059 -0.043 0.000 2.974 322 L HN 0.376 nan 8.230 nan 0.000 0.955 323 H N -0.333 118.816 119.070 0.132 0.000 2.988 323 H HA -0.174 4.378 4.556 -0.006 0.000 0.264 323 H C 0.110 175.481 175.328 0.072 0.000 0.809 323 H CA -0.148 55.963 56.048 0.105 0.000 1.412 323 H CB -0.578 29.218 29.762 0.056 0.000 1.190 323 H HN 0.561 nan 8.280 nan 0.000 0.556 324 G N 3.644 112.575 108.800 0.218 0.000 3.286 324 G HA2 0.476 4.433 3.960 -0.006 0.000 0.173 324 G HA3 0.476 4.433 3.960 -0.006 0.000 0.173 324 G C -0.298 174.608 174.900 0.010 0.000 1.704 324 G CA -0.837 44.318 45.100 0.090 0.000 1.041 324 G HN 0.714 nan 8.290 nan 0.000 0.561 325 R N -0.599 119.911 120.500 0.017 0.000 2.621 325 R HA 0.300 4.636 4.340 -0.006 0.000 0.284 325 R C -0.349 175.966 176.300 0.025 0.000 0.998 325 R CA -0.676 55.419 56.100 -0.008 0.000 0.895 325 R CB 2.486 32.775 30.300 -0.019 0.000 1.195 325 R HN 0.480 nan 8.270 nan 0.000 0.450 326 D N 0.889 121.302 120.400 0.022 0.000 2.262 326 D HA 0.094 4.731 4.640 -0.006 0.000 0.212 326 D C 0.657 176.980 176.300 0.039 0.000 0.964 326 D CA 1.205 55.233 54.000 0.047 0.000 0.875 326 D CB 0.833 41.661 40.800 0.048 0.000 0.996 326 D HN 0.673 nan 8.370 nan 0.000 0.497 327 G N -0.349 108.462 108.800 0.018 0.000 3.206 327 G HA2 0.130 4.086 3.960 -0.006 0.000 0.146 327 G HA3 0.130 4.086 3.960 -0.006 0.000 0.146 327 G C 0.357 175.256 174.900 -0.002 0.000 1.214 327 G CA -0.455 44.653 45.100 0.013 0.000 1.297 327 G HN 0.007 nan 8.290 nan 0.000 0.659 328 R N 0.548 121.046 120.500 -0.004 0.000 2.323 328 R HA 0.188 4.524 4.340 -0.006 0.000 0.198 328 R C -0.184 176.103 176.300 -0.022 0.000 0.988 328 R CA 0.618 56.712 56.100 -0.011 0.000 1.041 328 R CB -0.079 30.217 30.300 -0.006 0.000 0.926 328 R HN 0.117 nan 8.270 nan 0.000 0.476 329 K N 0.864 121.249 120.400 -0.026 0.000 2.471 329 K HA 0.244 4.561 4.320 -0.006 0.000 0.252 329 K C -1.141 175.413 176.600 -0.075 0.000 0.938 329 K CA -0.897 55.364 56.287 -0.044 0.000 0.796 329 K CB 1.843 34.329 32.500 -0.024 0.000 1.161 329 K HN -0.129 nan 8.250 nan 0.000 0.425 330 N N 1.090 119.699 118.700 -0.151 0.000 2.530 330 N HA 0.323 5.059 4.740 -0.006 0.000 0.273 330 N C -1.092 174.261 175.510 -0.261 0.000 1.173 330 N CA -0.398 52.478 53.050 -0.290 0.000 0.967 330 N CB 1.312 39.457 38.487 -0.570 0.000 1.109 330 N HN 0.257 nan 8.380 nan 0.000 0.453 331 V N 1.845 121.674 119.914 -0.143 0.000 2.969 331 V HA 0.340 4.456 4.120 -0.006 0.000 0.304 331 V C -0.975 175.235 176.094 0.194 0.000 1.192 331 V CA -0.842 61.488 62.300 0.051 0.000 0.962 331 V CB 1.942 33.796 31.823 0.052 0.000 1.045 331 V HN 0.366 nan 8.190 nan 0.000 0.428 332 V N 8.986 129.048 119.914 0.248 0.000 2.485 332 V HA 0.242 4.358 4.120 -0.006 0.000 0.287 332 V C -1.657 174.497 176.094 0.100 0.000 1.022 332 V CA -0.548 61.857 62.300 0.175 0.000 1.067 332 V CB 0.870 32.751 31.823 0.096 0.000 0.967 332 V HN 0.874 nan 8.190 nan 0.000 0.479 333 P HA 0.156 nan 4.420 nan 0.000 0.274 333 P C -0.556 176.753 177.300 0.014 0.000 1.237 333 P CA -0.428 62.697 63.100 0.041 0.000 0.793 333 P CB 0.867 32.590 31.700 0.038 0.000 0.977 334 C N 1.168 120.486 119.300 0.031 0.000 2.365 334 C HA 0.305 4.761 4.460 -0.006 0.000 0.351 334 C C 0.500 175.490 174.990 -0.000 0.000 1.240 334 C CA -0.341 58.688 59.018 0.019 0.000 2.062 334 C CB 0.844 28.614 27.740 0.051 0.000 2.387 334 C HN 0.298 nan 8.230 nan 0.000 0.537 335 V N 5.471 125.371 119.914 -0.023 0.000 2.304 335 V HA 0.217 4.333 4.120 -0.006 0.000 0.262 335 V C 0.183 176.252 176.094 -0.042 0.000 1.061 335 V CA 0.019 62.274 62.300 -0.075 0.000 0.872 335 V CB 0.390 32.174 31.823 -0.066 0.000 1.077 335 V HN 0.702 nan 8.190 nan 0.000 0.480 336 L N 3.979 125.183 121.223 -0.031 0.000 2.395 336 L HA 0.565 4.902 4.340 -0.006 0.000 0.269 336 L C 0.396 177.240 176.870 -0.043 0.000 1.133 336 L CA 0.340 55.208 54.840 0.047 0.000 0.812 336 L CB 1.677 43.833 42.059 0.162 0.000 1.125 336 L HN 0.647 nan 8.230 nan 0.000 0.452 337 S N 3.004 118.710 115.700 0.011 0.000 2.736 337 S HA 0.522 4.988 4.470 -0.006 0.000 0.285 337 S C -1.066 173.529 174.600 -0.008 0.000 1.163 337 S CA -0.607 57.583 58.200 -0.017 0.000 1.025 337 S CB 1.213 64.445 63.200 0.053 0.000 1.030 337 S HN 0.313 nan 8.310 nan 0.000 0.486 338 V N 5.686 125.539 119.914 -0.101 0.000 2.427 338 V HA 0.622 4.739 4.120 -0.006 0.000 0.286 338 V C -0.049 176.050 176.094 0.007 0.000 1.034 338 V CA -0.787 61.470 62.300 -0.072 0.000 0.893 338 V CB 1.642 33.337 31.823 -0.214 0.000 0.982 338 V HN 0.854 nan 8.190 nan 0.000 0.452 339 N N 2.673 121.409 118.700 0.059 0.000 2.500 339 N HA 0.521 5.258 4.740 -0.006 0.000 0.291 339 N C -0.506 175.069 175.510 0.110 0.000 1.092 339 N CA -0.123 52.968 53.050 0.068 0.000 0.890 339 N CB 2.477 41.013 38.487 0.081 0.000 1.466 339 N HN 0.865 nan 8.380 nan 0.000 0.507 340 G N 0.878 109.741 108.800 0.104 0.000 2.482 340 G HA2 0.292 4.249 3.960 -0.006 0.000 0.317 340 G HA3 0.292 4.249 3.960 -0.006 0.000 0.317 340 G C -1.102 173.899 174.900 0.167 0.000 1.241 340 G CA -0.348 44.886 45.100 0.222 0.000 0.967 340 G HN 0.435 nan 8.290 nan 0.000 0.482 341 D N 1.610 122.157 120.400 0.244 0.000 2.380 341 D HA 0.248 4.884 4.640 -0.006 0.000 0.230 341 D C 1.607 178.085 176.300 0.297 0.000 1.154 341 D CA -0.345 53.779 54.000 0.208 0.000 0.859 341 D CB 0.961 41.874 40.800 0.189 0.000 1.045 341 D HN 0.151 nan 8.370 nan 0.000 0.495 342 L N 2.503 123.847 121.223 0.201 0.000 2.093 342 L HA -0.082 4.254 4.340 -0.006 0.000 0.208 342 L C 1.405 178.428 176.870 0.254 0.000 1.085 342 L CA 0.793 55.766 54.840 0.221 0.000 0.755 342 L CB -0.095 42.010 42.059 0.076 0.000 0.904 342 L HN 0.452 nan 8.230 nan 0.000 0.435 343 D N -0.203 120.352 120.400 0.258 0.000 2.219 343 D HA -0.180 4.457 4.640 -0.006 0.000 0.205 343 D C 2.206 178.746 176.300 0.399 0.000 0.970 343 D CA 1.004 55.225 54.000 0.367 0.000 0.851 343 D CB 0.024 41.118 40.800 0.490 0.000 0.943 343 D HN 0.256 nan 8.370 nan 0.000 0.488 344 R N 0.349 121.058 120.500 0.349 0.000 2.173 344 R HA 0.031 4.367 4.340 -0.006 0.000 0.208 344 R C 2.166 178.683 176.300 0.362 0.000 1.035 344 R CA 0.815 57.138 56.100 0.371 0.000 1.004 344 R CB -0.047 30.436 30.300 0.306 0.000 0.917 344 R HN 0.087 nan 8.270 nan 0.000 0.462 345 G N 0.869 109.905 108.800 0.393 0.000 2.422 345 G HA2 -0.202 3.755 3.960 -0.006 0.000 0.218 345 G HA3 -0.202 3.755 3.960 -0.006 0.000 0.218 345 G C 1.357 176.496 174.900 0.398 0.000 1.140 345 G CA 0.203 45.622 45.100 0.532 0.000 0.775 345 G HN 0.112 nan 8.290 nan 0.000 0.545 346 M N 0.254 120.054 119.600 0.334 0.000 2.200 346 M HA -0.034 4.442 4.480 -0.006 0.000 0.261 346 M C 2.759 179.204 176.300 0.242 0.000 1.074 346 M CA 1.350 56.789 55.300 0.231 0.000 1.098 346 M CB -1.089 31.554 32.600 0.070 0.000 1.268 346 M HN 0.207 nan 8.290 nan 0.000 0.432 347 L N 0.049 121.460 121.223 0.315 0.000 1.991 347 L HA -0.291 4.046 4.340 -0.006 0.000 0.221 347 L C 2.684 179.775 176.870 0.368 0.000 1.079 347 L CA 1.864 56.960 54.840 0.426 0.000 0.778 347 L CB -1.426 41.018 42.059 0.641 0.000 0.893 347 L HN 0.404 nan 8.230 nan 0.000 0.437 348 A N -0.766 122.143 122.820 0.148 0.000 1.929 348 A HA -0.299 4.018 4.320 -0.006 0.000 0.221 348 A C 2.107 179.402 177.584 -0.482 0.000 1.211 348 A CA 2.420 54.113 52.037 -0.573 0.000 0.657 348 A CB -1.093 17.348 19.000 -0.931 0.000 0.827 348 A HN 0.468 nan 8.150 nan 0.000 0.462 349 Y N -0.607 119.679 120.300 -0.023 0.000 2.263 349 Y HA 0.022 4.568 4.550 -0.006 0.000 0.292 349 Y C 2.200 178.094 175.900 -0.011 0.000 1.130 349 Y CA 0.875 58.974 58.100 -0.001 0.000 1.179 349 Y CB -0.369 38.098 38.460 0.012 0.000 0.998 349 Y HN 0.198 nan 8.280 nan 0.000 0.532 350 L N -1.968 119.322 121.223 0.111 0.000 2.217 350 L HA -0.230 4.107 4.340 -0.006 0.000 0.211 350 L C 1.800 178.652 176.870 -0.030 0.000 1.107 350 L CA 1.199 55.999 54.840 -0.068 0.000 0.783 350 L CB -0.468 41.470 42.059 -0.201 0.000 0.919 350 L HN 0.227 nan 8.230 nan 0.000 0.442 351 Y N -0.066 120.298 120.300 0.108 0.000 2.206 351 Y HA -0.243 4.304 4.550 -0.005 0.000 0.292 351 Y C 2.329 178.333 175.900 0.174 0.000 1.123 351 Y CA 1.620 59.831 58.100 0.184 0.000 1.142 351 Y CB -0.244 38.360 38.460 0.239 0.000 1.006 351 Y HN 0.181 nan 8.280 nan 0.000 0.518 352 D N -0.713 119.855 120.400 0.280 0.000 2.311 352 D HA -0.148 4.488 4.640 -0.006 0.000 0.212 352 D C 1.704 178.130 176.300 0.211 0.000 0.972 352 D CA 1.434 55.573 54.000 0.233 0.000 0.887 352 D CB -0.052 40.848 40.800 0.167 0.000 0.915 352 D HN 0.301 nan 8.370 nan 0.000 0.497 353 S N -1.906 113.910 115.700 0.193 0.000 2.540 353 S HA 0.161 4.627 4.470 -0.006 0.000 0.218 353 S C 0.448 175.178 174.600 0.215 0.000 0.977 353 S CA -0.808 57.486 58.200 0.158 0.000 0.918 353 S CB 0.049 63.306 63.200 0.094 0.000 0.806 353 S HN 0.176 nan 8.310 nan 0.000 0.496 354 F N 1.546 121.519 119.950 0.038 0.000 2.908 354 F HA 0.667 5.191 4.527 -0.005 0.000 0.355 354 F C 0.066 175.905 175.800 0.065 0.000 1.367 354 F CA -0.986 57.032 58.000 0.029 0.000 1.086 354 F CB 0.527 39.523 39.000 -0.006 0.000 1.702 354 F HN -0.043 nan 8.300 nan 0.000 0.463 370 K N 1.654 122.139 120.400 0.141 0.000 2.088 370 K HA 0.206 4.523 4.320 -0.006 0.000 0.201 370 K C 0.234 176.999 176.600 0.276 0.000 1.054 370 K CA 0.692 57.141 56.287 0.270 0.000 1.025 370 K CB -0.358 32.267 32.500 0.208 0.000 1.258 370 K HN 0.423 nan 8.250 nan 0.000 0.456 371 V N 0.085 120.135 119.914 0.227 0.000 3.447 371 V HA -0.209 3.908 4.120 -0.006 0.000 0.494 371 V C -1.750 174.476 176.094 0.219 0.000 0.682 371 V CA -0.153 62.251 62.300 0.174 0.000 2.042 371 V CB -0.122 31.768 31.823 0.113 0.000 2.480 371 V HN 0.356 nan 8.190 nan 0.000 0.505 372 L N 7.146 128.442 121.223 0.121 0.000 2.343 372 L HA 0.555 4.892 4.340 -0.006 0.000 0.278 372 L C 0.472 177.374 176.870 0.052 0.000 0.996 372 L CA 0.109 54.999 54.840 0.083 0.000 0.831 372 L CB 1.681 43.723 42.059 -0.028 0.000 1.232 372 L HN 0.584 nan 8.230 nan 0.000 0.413 373 K N 4.294 124.730 120.400 0.060 0.000 3.141 373 K HA 0.333 4.649 4.320 -0.006 0.000 0.248 373 K C -0.353 176.262 176.600 0.025 0.000 1.282 373 K CA -0.302 56.003 56.287 0.030 0.000 1.251 373 K CB 0.020 32.538 32.500 0.031 0.000 1.533 373 K HN 0.505 nan 8.250 nan 0.000 0.409 374 L N 2.177 123.409 121.223 0.014 0.000 2.540 374 L HA -0.056 4.280 4.340 -0.006 0.000 0.276 374 L C 1.186 178.069 176.870 0.021 0.000 1.212 374 L CA 0.080 54.925 54.840 0.008 0.000 0.893 374 L CB -0.114 41.936 42.059 -0.016 0.000 1.138 374 L HN 0.436 nan 8.230 nan 0.000 0.491 375 H N 6.281 125.295 119.070 -0.093 0.000 3.119 375 H HA -0.076 4.476 4.556 -0.006 0.000 0.334 375 H C -1.814 173.462 175.328 -0.087 0.000 1.042 375 H CA -1.069 54.932 56.048 -0.079 0.000 1.354 375 H CB 0.960 30.686 29.762 -0.060 0.000 1.285 375 H HN 0.383 nan 8.280 nan 0.000 0.601 376 P HA -0.128 nan 4.420 nan 0.000 0.215 376 P C 1.411 178.828 177.300 0.196 0.000 1.153 376 P CA 1.578 64.782 63.100 0.174 0.000 0.853 376 P CB 0.080 31.797 31.700 0.028 0.000 0.788 377 C N -2.187 117.296 119.300 0.305 0.000 2.491 377 C HA 0.072 4.528 4.460 -0.006 0.000 0.277 377 C C 1.841 176.666 174.990 -0.276 0.000 1.455 377 C CA 0.566 59.536 59.018 -0.081 0.000 1.758 377 C CB -1.785 25.841 27.740 -0.191 0.000 1.745 377 C HN 0.172 nan 8.230 nan 0.000 0.558 378 L N -0.243 120.824 121.223 -0.260 0.000 2.920 378 L HA 0.379 4.715 4.340 -0.006 0.000 0.257 378 L C 1.379 178.157 176.870 -0.154 0.000 1.150 378 L CA 0.202 54.840 54.840 -0.336 0.000 0.959 378 L CB -0.788 40.929 42.059 -0.569 0.000 1.321 378 L HN 0.099 nan 8.230 nan 0.000 0.555 379 A N 1.613 124.391 122.820 -0.069 0.000 2.520 379 A HA 0.307 4.623 4.320 -0.006 0.000 0.245 379 A C -1.209 176.366 177.584 -0.015 0.000 1.072 379 A CA -0.554 51.473 52.037 -0.017 0.000 0.761 379 A CB -0.240 18.752 19.000 -0.013 0.000 1.004 379 A HN 0.119 nan 8.150 nan 0.000 0.499 380 P HA -0.124 nan 4.420 nan 0.000 0.211 380 P C 0.517 177.802 177.300 -0.025 0.000 1.179 380 P CA 1.381 64.475 63.100 -0.010 0.000 0.910 380 P CB -0.222 31.463 31.700 -0.025 0.000 0.785 381 I N -3.866 116.683 120.570 -0.035 0.000 2.442 381 I HA 0.409 4.575 4.170 -0.006 0.000 0.279 381 I C 0.747 176.850 176.117 -0.024 0.000 1.081 381 I CA -1.108 60.180 61.300 -0.020 0.000 1.197 381 I CB 1.165 39.158 38.000 -0.011 0.000 1.394 381 I HN -0.356 nan 8.210 nan 0.000 0.488 382 K N 2.591 122.988 120.400 -0.005 0.000 2.277 382 K HA -0.122 4.195 4.320 -0.006 0.000 0.206 382 K C 0.398 177.018 176.600 0.033 0.000 1.044 382 K CA 1.196 57.489 56.287 0.011 0.000 0.932 382 K CB -0.207 32.317 32.500 0.041 0.000 0.726 382 K HN 0.627 nan 8.250 nan 0.000 0.473 383 V N -2.350 117.593 119.914 0.049 0.000 2.881 383 V HA 0.530 4.647 4.120 -0.006 0.000 0.275 383 V C -1.412 174.746 176.094 0.106 0.000 1.518 383 V CA -0.307 62.050 62.300 0.095 0.000 0.936 383 V CB 1.365 33.298 31.823 0.184 0.000 1.165 383 V HN 0.136 nan 8.190 nan 0.000 0.447 384 A N 6.268 129.128 122.820 0.065 0.000 2.336 384 A HA 1.071 5.388 4.320 -0.006 0.000 0.291 384 A C -0.307 177.421 177.584 0.240 0.000 1.266 384 A CA -0.094 52.015 52.037 0.119 0.000 0.891 384 A CB 1.105 19.933 19.000 -0.287 0.000 1.366 384 A HN 2.314 nan 8.150 nan 0.000 0.507 385 L N -2.312 119.105 121.223 0.323 0.000 3.349 385 L HA 0.451 4.788 4.340 -0.006 0.000 0.265 385 L C -2.282 174.804 176.870 0.360 0.000 0.964 385 L CA -0.801 54.230 54.840 0.319 0.000 1.103 385 L CB 1.012 43.247 42.059 0.294 0.000 1.838 385 L HN 0.657 nan 8.230 nan 0.000 0.527 386 D N 2.042 122.632 120.400 0.317 0.000 2.712 386 D HA 0.749 5.386 4.640 -0.006 0.000 0.252 386 D C -0.754 175.681 176.300 0.224 0.000 1.123 386 D CA -0.083 54.094 54.000 0.295 0.000 1.109 386 D CB 2.667 43.613 40.800 0.243 0.000 1.313 386 D HN 0.586 nan 8.370 nan 0.000 0.629 387 V N -2.669 117.351 119.914 0.176 0.000 2.823 387 V HA 0.937 5.054 4.120 -0.006 0.000 0.312 387 V C 0.048 176.201 176.094 0.098 0.000 1.072 387 V CA -0.431 61.939 62.300 0.117 0.000 0.937 387 V CB 1.371 33.246 31.823 0.086 0.000 1.013 387 V HN 0.681 nan 8.190 nan 0.000 0.430 388 G N 2.316 111.171 108.800 0.090 0.000 3.247 388 G HA2 0.493 4.449 3.960 -0.006 0.000 0.226 388 G HA3 0.493 4.449 3.960 -0.006 0.000 0.226 388 G C -0.302 174.632 174.900 0.058 0.000 1.220 388 G CA -1.144 44.003 45.100 0.079 0.000 0.875 388 G HN 1.064 nan 8.290 nan 0.000 0.606 389 R N 0.516 121.046 120.500 0.050 0.000 2.584 389 R HA 0.342 4.678 4.340 -0.006 0.000 0.315 389 R C 0.349 176.666 176.300 0.028 0.000 0.863 389 R CA 0.892 57.011 56.100 0.031 0.000 1.139 389 R CB -1.157 29.156 30.300 0.022 0.000 0.880 389 R HN 1.780 nan 8.270 nan 0.000 0.413 390 G N 3.061 111.873 108.800 0.020 0.000 2.403 390 G HA2 0.044 4.000 3.960 -0.006 0.000 0.223 390 G HA3 0.044 4.000 3.960 -0.006 0.000 0.223 390 G C -2.330 172.578 174.900 0.012 0.000 1.287 390 G CA -0.256 44.853 45.100 0.015 0.000 0.982 390 G HN 0.500 nan 8.290 nan 0.000 0.471 391 P HA 0.459 nan 4.420 nan 0.000 0.239 391 P C 0.507 177.810 177.300 0.006 0.000 1.215 391 P CA 2.308 65.411 63.100 0.005 0.000 0.654 391 P CB 0.356 32.056 31.700 0.000 0.000 1.146 392 T N -2.077 112.478 114.554 0.000 0.000 3.507 392 T HA 0.007 4.353 4.350 -0.006 0.000 0.114 392 T C 1.305 175.998 174.700 -0.013 0.000 0.586 392 T CA 0.021 62.121 62.100 -0.000 0.000 0.707 392 T CB -1.196 67.674 68.868 0.003 0.000 0.786 392 T HN 0.104 nan 8.240 nan 0.000 0.224 393 L N 1.845 123.059 121.223 -0.014 0.000 2.051 393 L HA -0.191 4.146 4.340 -0.006 0.000 0.214 393 L C 2.397 179.247 176.870 -0.033 0.000 1.076 393 L CA 1.975 56.800 54.840 -0.025 0.000 0.758 393 L CB -0.252 41.796 42.059 -0.018 0.000 0.890 393 L HN 0.417 nan 8.230 nan 0.000 0.433 394 E N -0.320 119.866 120.200 -0.023 0.000 2.077 394 E HA -0.241 4.105 4.350 -0.006 0.000 0.193 394 E C 2.160 178.742 176.600 -0.030 0.000 0.989 394 E CA 1.015 57.401 56.400 -0.023 0.000 0.800 394 E CB -0.193 29.499 29.700 -0.013 0.000 0.746 394 E HN 0.441 nan 8.360 nan 0.000 0.452 395 L N 1.300 122.507 121.223 -0.027 0.000 2.044 395 L HA -0.090 4.247 4.340 -0.006 0.000 0.205 395 L C 1.714 178.540 176.870 -0.074 0.000 1.075 395 L CA 1.320 56.143 54.840 -0.028 0.000 0.747 395 L CB -0.430 41.627 42.059 -0.004 0.000 0.903 395 L HN 0.099 nan 8.230 nan 0.000 0.435 396 R N -0.781 119.658 120.500 -0.102 0.000 3.298 396 R HA 0.026 4.362 4.340 -0.006 0.000 0.249 396 R C 1.105 177.264 176.300 -0.235 0.000 1.563 396 R CA -0.075 55.889 56.100 -0.227 0.000 1.378 396 R CB -0.011 30.173 30.300 -0.193 0.000 1.250 396 R HN 0.399 nan 8.270 nan 0.000 0.580 397 Q N 0.365 120.075 119.800 -0.150 0.000 2.274 397 Q HA -0.004 4.332 4.340 -0.006 0.000 0.198 397 Q C 2.077 178.012 176.000 -0.109 0.000 0.955 397 Q CA 0.991 56.728 55.803 -0.110 0.000 0.859 397 Q CB -0.067 28.633 28.738 -0.062 0.000 0.956 397 Q HN 0.325 nan 8.270 nan 0.000 0.516 398 V N 0.646 120.506 119.914 -0.090 0.000 2.809 398 V HA -0.171 3.945 4.120 -0.006 0.000 0.256 398 V C 2.102 178.148 176.094 -0.081 0.000 1.080 398 V CA 1.157 63.423 62.300 -0.057 0.000 1.102 398 V CB -0.457 31.353 31.823 -0.023 0.000 0.705 398 V HN 0.377 nan 8.190 nan 0.000 0.475 399 C N 0.325 119.505 119.300 -0.199 0.000 2.398 399 C HA -0.237 4.220 4.460 -0.006 0.000 0.276 399 C C 2.644 177.521 174.990 -0.189 0.000 1.222 399 C CA 1.804 60.627 59.018 -0.324 0.000 1.746 399 C CB -1.328 25.816 27.740 -0.994 0.000 2.039 399 C HN 0.664 nan 8.230 nan 0.000 0.470 400 Q N -0.130 119.533 119.800 -0.228 0.000 2.311 400 Q HA 0.018 4.354 4.340 -0.006 0.000 0.203 400 Q C 2.338 178.394 176.000 0.092 0.000 0.954 400 Q CA 1.223 57.026 55.803 0.000 0.000 0.885 400 Q CB -0.272 28.425 28.738 -0.068 0.000 0.963 400 Q HN 0.800 nan 8.270 nan 0.000 0.471 401 G N 0.185 109.004 108.800 0.032 0.000 2.511 401 G HA2 -0.077 3.879 3.960 -0.006 0.000 0.217 401 G HA3 -0.077 3.879 3.960 -0.006 0.000 0.217 401 G C 1.254 176.197 174.900 0.072 0.000 1.133 401 G CA 0.132 45.260 45.100 0.046 0.000 0.792 401 G HN 0.144 nan 8.290 nan 0.000 0.539 402 L N -1.106 120.175 121.223 0.096 0.000 2.185 402 L HA 0.221 4.557 4.340 -0.006 0.000 0.198 402 L C 2.413 179.375 176.870 0.155 0.000 1.079 402 L CA 0.396 55.304 54.840 0.113 0.000 0.780 402 L CB -0.446 41.686 42.059 0.121 0.000 0.955 402 L HN 0.228 nan 8.230 nan 0.000 0.462 403 F N 1.853 121.864 119.950 0.102 0.000 2.082 403 F HA -0.387 4.139 4.527 -0.003 0.000 0.298 403 F C 2.036 177.879 175.800 0.072 0.000 1.091 403 F CA 2.516 60.592 58.000 0.126 0.000 1.230 403 F CB -0.300 38.825 39.000 0.210 0.000 0.983 403 F HN 0.166 nan 8.300 nan 0.000 0.485 404 N N 0.117 118.941 118.700 0.205 0.000 2.106 404 N HA -0.155 4.582 4.740 -0.006 0.000 0.188 404 N C 1.852 177.361 175.510 -0.001 0.000 1.029 404 N CA 1.365 54.465 53.050 0.083 0.000 0.848 404 N CB -0.528 38.043 38.487 0.140 0.000 1.007 404 N HN 0.513 nan 8.380 nan 0.000 0.423 405 E N 0.495 120.715 120.200 0.033 0.000 2.048 405 E HA -0.212 4.135 4.350 -0.006 0.000 0.202 405 E C 1.470 178.066 176.600 -0.006 0.000 1.021 405 E CA 1.144 57.556 56.400 0.021 0.000 0.825 405 E CB -0.033 29.692 29.700 0.041 0.000 0.756 405 E HN 0.123 nan 8.360 nan 0.000 0.454 406 L N 0.661 121.871 121.223 -0.020 0.000 2.079 406 L HA -0.203 4.134 4.340 -0.006 0.000 0.210 406 L C 2.571 179.390 176.870 -0.085 0.000 1.081 406 L CA 1.401 56.219 54.840 -0.038 0.000 0.752 406 L CB -1.292 40.744 42.059 -0.038 0.000 0.896 406 L HN 0.357 nan 8.230 nan 0.000 0.433 407 L N -0.557 120.569 121.223 -0.161 0.000 2.093 407 L HA -0.145 4.191 4.340 -0.006 0.000 0.208 407 L C 2.289 179.107 176.870 -0.086 0.000 1.085 407 L CA 0.758 55.493 54.840 -0.175 0.000 0.755 407 L CB -0.476 41.407 42.059 -0.293 0.000 0.904 407 L HN 0.260 nan 8.230 nan 0.000 0.435 408 E N 0.352 120.521 120.200 -0.052 0.000 2.510 408 E HA -0.132 4.215 4.350 -0.006 0.000 0.202 408 E C 0.698 177.289 176.600 -0.015 0.000 1.072 408 E CA 0.606 56.993 56.400 -0.021 0.000 0.883 408 E CB -0.168 29.530 29.700 -0.004 0.000 0.818 408 E HN 0.570 nan 8.360 nan 0.000 0.548 409 N N -0.970 117.717 118.700 -0.022 0.000 2.118 409 N HA 0.077 4.813 4.740 -0.006 0.000 0.226 409 N C 0.623 176.125 175.510 -0.012 0.000 1.305 409 N CA 0.644 53.688 53.050 -0.009 0.000 0.890 409 N CB 1.945 40.433 38.487 0.002 0.000 1.118 409 N HN 0.176 nan 8.380 nan 0.000 0.511 410 G N 1.631 110.414 108.800 -0.029 0.000 2.141 410 G HA2 -0.194 3.762 3.960 -0.006 0.000 0.195 410 G HA3 -0.194 3.762 3.960 -0.006 0.000 0.195 410 G C -0.256 174.627 174.900 -0.028 0.000 1.012 410 G CA -0.395 44.689 45.100 -0.027 0.000 0.696 410 G HN 0.238 nan 8.290 nan 0.000 0.508 411 I N 2.409 122.953 120.570 -0.043 0.000 2.354 411 I HA 0.296 4.463 4.170 -0.006 0.000 0.286 411 I C 0.780 176.856 176.117 -0.068 0.000 1.007 411 I CA -0.683 60.598 61.300 -0.031 0.000 1.167 411 I CB 1.685 39.682 38.000 -0.005 0.000 1.320 411 I HN 0.273 nan 8.210 nan 0.000 0.458 412 S N 5.993 121.666 115.700 -0.046 0.000 2.465 412 S HA 0.299 4.766 4.470 -0.006 0.000 0.307 412 S C -0.047 174.539 174.600 -0.024 0.000 1.187 412 S CA -0.768 57.401 58.200 -0.052 0.000 1.141 412 S CB 0.044 63.232 63.200 -0.021 0.000 1.108 412 S HN 0.313 nan 8.310 nan 0.000 0.525 413 V N 3.976 123.840 119.914 -0.083 0.000 2.863 413 V HA 0.433 4.549 4.120 -0.006 0.000 0.307 413 V C 0.015 176.206 176.094 0.163 0.000 1.061 413 V CA -0.940 61.376 62.300 0.026 0.000 1.024 413 V CB 1.419 33.222 31.823 -0.035 0.000 1.049 413 V HN 1.006 nan 8.190 nan 0.000 0.471 414 W N 6.444 127.744 121.300 0.001 0.000 2.413 414 W HA 0.405 5.065 4.660 -0.001 0.000 0.308 414 W C -2.896 173.563 176.519 -0.100 0.000 0.997 414 W CA -2.573 54.729 57.345 -0.071 0.000 1.447 414 W CB 1.789 31.115 29.460 -0.223 0.000 1.263 414 W HN 0.408 nan 8.180 nan 0.000 0.416 415 P HA 0.123 nan 4.420 nan 0.000 0.273 415 P C 0.665 177.295 177.300 -1.116 0.000 1.319 415 P CA 0.424 62.920 63.100 -1.007 0.000 0.885 415 P CB 0.814 31.715 31.700 -1.332 0.000 1.015 416 G N 3.078 111.551 108.800 -0.546 0.000 3.020 416 G HA2 -0.096 3.860 3.960 -0.006 0.000 0.217 416 G HA3 -0.096 3.860 3.960 -0.006 0.000 0.217 416 G C 0.618 175.487 174.900 -0.053 0.000 1.144 416 G CA -0.152 44.888 45.100 -0.100 0.000 0.760 416 G HN 0.493 nan 8.290 nan 0.000 0.548 417 Y N -0.038 120.273 120.300 0.018 0.000 2.542 417 Y HA 0.504 5.049 4.550 -0.008 0.000 0.349 417 Y C 0.696 176.572 175.900 -0.039 0.000 1.215 417 Y CA -1.191 56.916 58.100 0.012 0.000 1.253 417 Y CB -0.611 37.854 38.460 0.009 0.000 1.120 417 Y HN 0.062 nan 8.280 nan 0.000 0.487 418 L N -0.522 120.698 121.223 -0.004 0.000 3.439 418 L HA 0.290 4.627 4.340 -0.006 0.000 0.313 418 L C 1.159 178.014 176.870 -0.025 0.000 1.292 418 L CA 0.004 54.839 54.840 -0.009 0.000 1.020 418 L CB 0.516 42.494 42.059 -0.135 0.000 1.424 418 L HN 0.280 nan 8.230 nan 0.000 0.612 419 E N 0.011 120.220 120.200 0.015 0.000 3.286 419 E HA 0.170 4.517 4.350 -0.006 0.000 0.370 419 E C 0.717 177.336 176.600 0.032 0.000 0.516 419 E CA 0.817 57.233 56.400 0.027 0.000 1.885 419 E CB 0.817 30.558 29.700 0.067 0.000 2.150 419 E HN 0.062 nan 8.360 nan 0.000 0.509 420 T N -1.465 113.113 114.554 0.041 0.000 2.544 420 T HA 0.212 4.559 4.350 -0.006 0.000 0.192 420 T C -0.477 174.241 174.700 0.031 0.000 0.796 420 T CA 0.090 62.209 62.100 0.031 0.000 1.371 420 T CB -0.644 68.238 68.868 0.023 0.000 2.042 420 T HN 0.405 nan 8.240 nan 0.000 0.424 421 M N 2.049 121.662 119.600 0.021 0.000 2.224 421 M HA 0.162 4.638 4.480 -0.006 0.000 0.297 421 M C 1.403 177.710 176.300 0.011 0.000 1.047 421 M CA 0.534 55.842 55.300 0.013 0.000 1.125 421 M CB -0.055 32.549 32.600 0.006 0.000 1.413 421 M HN 0.676 nan 8.290 nan 0.000 0.431 422 Q N 0.944 120.744 119.800 0.001 0.000 2.515 422 Q HA -0.070 4.266 4.340 -0.006 0.000 0.215 422 Q C 0.561 176.538 176.000 -0.038 0.000 0.983 422 Q CA 1.044 56.839 55.803 -0.013 0.000 0.905 422 Q CB -0.685 28.040 28.738 -0.022 0.000 0.961 422 Q HN 1.094 nan 8.270 nan 0.000 0.503 423 S N -1.567 114.117 115.700 -0.027 0.000 3.477 423 S HA -0.365 4.102 4.470 -0.006 0.000 0.357 423 S C 0.474 175.030 174.600 -0.073 0.000 1.083 423 S CA 0.706 58.883 58.200 -0.038 0.000 1.042 423 S CB -2.448 60.735 63.200 -0.028 0.000 0.911 423 S HN 0.987 nan 8.310 nan 0.000 0.490 424 S N -0.432 115.223 115.700 -0.075 0.000 4.080 424 S HA -0.170 4.296 4.470 -0.006 0.000 0.627 424 S C 0.282 174.781 174.600 -0.169 0.000 1.977 424 S CA 1.562 59.703 58.200 -0.097 0.000 4.141 424 S CB -1.495 61.653 63.200 -0.088 0.000 0.213 424 S HN 1.909 nan 8.310 nan 0.000 0.596 425 L N -0.361 120.715 121.223 -0.244 0.000 3.003 425 L HA 0.417 4.754 4.340 -0.006 0.000 0.335 425 L C 1.238 177.812 176.870 -0.493 0.000 1.038 425 L CA 1.460 56.010 54.840 -0.483 0.000 1.555 425 L CB -0.959 40.850 42.059 -0.417 0.000 2.586 425 L HN 0.573 nan 8.230 nan 0.000 0.563 426 E N -0.149 119.922 120.200 -0.215 0.000 2.170 426 E HA -0.009 4.337 4.350 -0.006 0.000 0.191 426 E C 1.444 178.002 176.600 -0.069 0.000 0.981 426 E CA 1.102 57.456 56.400 -0.076 0.000 0.830 426 E CB -0.010 29.675 29.700 -0.025 0.000 0.775 426 E HN 0.531 nan 8.360 nan 0.000 0.470 427 Q N -0.254 119.484 119.800 -0.104 0.000 2.444 427 Q HA 0.057 4.393 4.340 -0.006 0.000 0.206 427 Q C 1.165 177.081 176.000 -0.140 0.000 0.948 427 Q CA 0.341 56.093 55.803 -0.084 0.000 0.946 427 Q CB 0.336 29.035 28.738 -0.065 0.000 1.027 427 Q HN 0.148 nan 8.270 nan 0.000 0.513 428 L N -2.062 119.020 121.223 -0.234 0.000 2.672 428 L HA 0.154 4.490 4.340 -0.006 0.000 0.236 428 L C 1.098 177.706 176.870 -0.436 0.000 1.092 428 L CA 0.793 55.396 54.840 -0.395 0.000 0.887 428 L CB 0.233 42.054 42.059 -0.397 0.000 1.168 428 L HN 0.124 nan 8.230 nan 0.000 0.502 429 Y N -1.900 118.224 120.300 -0.294 0.000 2.301 429 Y HA -0.052 4.494 4.550 -0.007 0.000 0.295 429 Y C 2.675 178.509 175.900 -0.110 0.000 1.126 429 Y CA 0.580 58.562 58.100 -0.197 0.000 1.154 429 Y CB 0.158 38.570 38.460 -0.080 0.000 1.075 429 Y HN 0.171 nan 8.280 nan 0.000 0.534 430 S N 0.737 116.494 115.700 0.095 0.000 2.383 430 S HA -0.245 4.222 4.470 -0.006 0.000 0.229 430 S C 1.996 176.628 174.600 0.054 0.000 1.030 430 S CA 1.779 60.020 58.200 0.069 0.000 1.002 430 S CB -0.300 62.932 63.200 0.053 0.000 0.829 430 S HN 0.387 nan 8.310 nan 0.000 0.467 431 K N -0.456 119.946 120.400 0.003 0.000 1.978 431 K HA -0.166 4.150 4.320 -0.006 0.000 0.214 431 K C 1.776 178.457 176.600 0.135 0.000 1.049 431 K CA 1.921 58.223 56.287 0.025 0.000 0.939 431 K CB -0.550 31.922 32.500 -0.046 0.000 0.721 431 K HN 0.399 nan 8.250 nan 0.000 0.441 432 Y N 2.096 122.375 120.300 -0.035 0.000 2.384 432 Y HA -0.185 4.362 4.550 -0.007 0.000 0.289 432 Y C 2.011 177.881 175.900 -0.050 0.000 1.152 432 Y CA 0.771 58.817 58.100 -0.090 0.000 1.258 432 Y CB -0.740 37.684 38.460 -0.059 0.000 0.979 432 Y HN 0.298 nan 8.280 nan 0.000 0.549 433 D N 0.039 120.527 120.400 0.147 0.000 2.144 433 D HA -0.139 4.497 4.640 -0.006 0.000 0.200 433 D C 1.854 178.212 176.300 0.096 0.000 0.978 433 D CA 1.089 55.144 54.000 0.093 0.000 0.833 433 D CB 0.067 40.916 40.800 0.083 0.000 0.961 433 D HN 0.508 nan 8.370 nan 0.000 0.470 434 E N 0.182 120.443 120.200 0.102 0.000 2.028 434 E HA -0.037 4.309 4.350 -0.006 0.000 0.190 434 E C 2.052 178.752 176.600 0.167 0.000 0.984 434 E CA 0.508 56.970 56.400 0.102 0.000 0.800 434 E CB -0.054 29.695 29.700 0.082 0.000 0.758 434 E HN 0.210 nan 8.360 nan 0.000 0.448 435 M N 0.569 120.231 119.600 0.103 0.000 2.706 435 M HA -0.071 4.405 4.480 -0.006 0.000 0.253 435 M C 0.930 177.311 176.300 0.135 0.000 1.063 435 M CA 0.420 55.744 55.300 0.039 0.000 1.067 435 M CB -0.078 32.371 32.600 -0.251 0.000 1.423 435 M HN -0.032 nan 8.290 nan 0.000 0.530 436 S N 0.693 116.474 115.700 0.136 0.000 3.641 436 S HA -0.146 4.321 4.470 -0.006 0.000 0.346 436 S C 0.322 174.932 174.600 0.016 0.000 1.074 436 S CA -0.007 58.248 58.200 0.092 0.000 1.026 436 S CB -1.454 61.833 63.200 0.146 0.000 0.908 436 S HN 0.477 nan 8.310 nan 0.000 0.479 437 I N 0.294 120.841 120.570 -0.039 0.000 3.393 437 I HA 0.012 4.178 4.170 -0.006 0.000 0.221 437 I C 1.884 177.919 176.117 -0.136 0.000 1.310 437 I CA 0.183 61.424 61.300 -0.099 0.000 0.936 437 I CB 0.046 37.957 38.000 -0.150 0.000 1.610 437 I HN 0.299 nan 8.210 nan 0.000 0.896 438 L N -0.419 120.674 121.223 -0.216 0.000 2.588 438 L HA 0.260 4.596 4.340 -0.006 0.000 0.194 438 L C -0.314 176.079 176.870 -0.795 0.000 1.070 438 L CA 0.444 54.976 54.840 -0.513 0.000 0.852 438 L CB 0.328 42.051 42.059 -0.560 0.000 1.199 438 L HN 0.313 nan 8.230 nan 0.000 0.486 439 F N -0.806 119.124 119.950 -0.033 0.000 2.620 439 F HA 0.423 4.946 4.527 -0.007 0.000 0.320 439 F C -0.211 175.589 175.800 0.001 0.000 1.069 439 F CA -0.918 57.057 58.000 -0.042 0.000 0.953 439 F CB 1.831 40.813 39.000 -0.030 0.000 1.322 439 F HN -0.387 nan 8.300 nan 0.000 0.479 440 T N 1.675 116.350 114.554 0.202 0.000 3.209 440 T HA 0.401 4.747 4.350 -0.006 0.000 0.366 440 T C -0.715 174.063 174.700 0.131 0.000 1.293 440 T CA -0.572 61.642 62.100 0.190 0.000 1.417 440 T CB 0.171 69.146 68.868 0.178 0.000 1.013 440 T HN 0.568 nan 8.240 nan 0.000 0.572 441 V N 1.882 121.871 119.914 0.125 0.000 2.715 441 V HA 0.669 4.785 4.120 -0.006 0.000 0.299 441 V C -0.118 175.995 176.094 0.031 0.000 1.054 441 V CA -0.545 61.773 62.300 0.030 0.000 1.077 441 V CB 1.178 33.035 31.823 0.056 0.000 0.972 441 V HN 0.757 nan 8.190 nan 0.000 0.484 442 L N 5.082 126.215 121.223 -0.150 0.000 2.409 442 L HA 0.688 5.025 4.340 -0.006 0.000 0.272 442 L C -0.856 176.003 176.870 -0.019 0.000 0.980 442 L CA -0.591 54.191 54.840 -0.097 0.000 0.826 442 L CB 2.043 43.980 42.059 -0.204 0.000 1.268 442 L HN 0.677 nan 8.230 nan 0.000 0.407 443 V N 3.469 123.438 119.914 0.092 0.000 2.427 443 V HA 0.641 4.758 4.120 -0.006 0.000 0.286 443 V C 0.365 176.537 176.094 0.129 0.000 1.034 443 V CA -0.153 62.216 62.300 0.115 0.000 0.893 443 V CB 1.704 33.568 31.823 0.068 0.000 0.982 443 V HN 0.939 nan 8.190 nan 0.000 0.452 444 T N 0.160 114.796 114.554 0.137 0.000 2.693 444 T HA 0.396 4.743 4.350 -0.006 0.000 0.278 444 T C 0.842 175.575 174.700 0.056 0.000 0.994 444 T CA -0.326 61.833 62.100 0.099 0.000 1.033 444 T CB 1.843 70.777 68.868 0.110 0.000 1.342 444 T HN 0.576 nan 8.240 nan 0.000 0.538 445 E N -0.010 120.212 120.200 0.036 0.000 2.072 445 E HA -0.157 4.190 4.350 -0.006 0.000 0.191 445 E C 1.735 178.345 176.600 0.017 0.000 0.985 445 E CA 1.402 57.814 56.400 0.020 0.000 0.801 445 E CB -0.334 29.374 29.700 0.013 0.000 0.750 445 E HN 0.715 nan 8.360 nan 0.000 0.452 446 T N -0.567 113.994 114.554 0.012 0.000 3.320 446 T HA -0.036 4.310 4.350 -0.006 0.000 0.262 446 T C 0.976 175.683 174.700 0.012 0.000 1.187 446 T CA 1.391 63.490 62.100 -0.000 0.000 1.038 446 T CB -0.255 68.596 68.868 -0.027 0.000 0.939 446 T HN 0.171 nan 8.240 nan 0.000 0.550 447 T N 0.265 114.837 114.554 0.030 0.000 3.038 447 T HA 0.297 4.644 4.350 -0.006 0.000 0.244 447 T C 1.752 176.470 174.700 0.029 0.000 1.016 447 T CA 0.035 62.161 62.100 0.042 0.000 1.098 447 T CB 0.048 68.954 68.868 0.063 0.000 0.954 447 T HN 0.267 nan 8.240 nan 0.000 0.469 448 L N 1.635 122.871 121.223 0.021 0.000 2.109 448 L HA 0.037 4.374 4.340 -0.006 0.000 0.207 448 L C 1.992 178.868 176.870 0.010 0.000 1.086 448 L CA 1.100 55.948 54.840 0.013 0.000 0.760 448 L CB -0.527 41.537 42.059 0.009 0.000 0.910 448 L HN 0.429 nan 8.230 nan 0.000 0.437 449 E N 0.856 121.061 120.200 0.008 0.000 2.528 449 E HA -0.006 4.340 4.350 -0.006 0.000 0.237 449 E C 0.029 176.632 176.600 0.005 0.000 1.408 449 E CA 0.148 56.551 56.400 0.005 0.000 1.571 449 E CB -0.277 29.424 29.700 0.002 0.000 1.395 449 E HN 0.609 nan 8.360 nan 0.000 0.438 450 N N -0.101 118.604 118.700 0.009 0.000 2.612 450 N HA -0.034 4.703 4.740 -0.006 0.000 0.351 450 N C 0.691 176.210 175.510 0.015 0.000 0.596 450 N CA 0.227 53.282 53.050 0.010 0.000 1.651 450 N CB -0.164 38.331 38.487 0.012 0.000 1.528 450 N HN 0.326 nan 8.380 nan 0.000 1.850 451 G N 0.738 109.555 108.800 0.028 0.000 2.500 451 G HA2 0.277 4.233 3.960 -0.006 0.000 0.227 451 G HA3 0.277 4.233 3.960 -0.006 0.000 0.227 451 G C -1.514 173.425 174.900 0.065 0.000 1.157 451 G CA -0.244 44.879 45.100 0.038 0.000 0.945 451 G HN 0.317 nan 8.290 nan 0.000 0.518 452 L N 0.454 121.716 121.223 0.065 0.000 2.409 452 L HA 0.800 5.136 4.340 -0.006 0.000 0.262 452 L C 0.246 177.164 176.870 0.081 0.000 0.992 452 L CA -1.076 53.811 54.840 0.078 0.000 0.817 452 L CB 1.489 43.599 42.059 0.086 0.000 1.350 452 L HN 0.323 nan 8.230 nan 0.000 0.411 453 I N -0.860 119.762 120.570 0.086 0.000 3.516 453 I HA 0.689 4.856 4.170 -0.006 0.000 0.297 453 I C -0.629 175.627 176.117 0.232 0.000 1.139 453 I CA -0.545 60.866 61.300 0.184 0.000 1.020 453 I CB 1.901 39.957 38.000 0.094 0.000 1.341 453 I HN 0.594 nan 8.210 nan 0.000 0.490 454 H N 1.948 121.009 119.070 -0.015 0.000 3.177 454 H HA 0.471 5.024 4.556 -0.006 0.000 0.314 454 H C -1.338 173.983 175.328 -0.013 0.000 1.059 454 H CA -1.212 54.816 56.048 -0.033 0.000 1.515 454 H CB 0.278 30.040 29.762 -0.000 0.000 1.672 454 H HN 0.891 nan 8.280 nan 0.000 0.514 455 L N 0.755 121.925 121.223 -0.090 0.000 2.305 455 L HA 0.658 4.995 4.340 -0.006 0.000 0.281 455 L C 0.348 177.179 176.870 -0.065 0.000 1.085 455 L CA -0.872 53.908 54.840 -0.100 0.000 0.813 455 L CB 1.507 43.459 42.059 -0.178 0.000 1.157 455 L HN 0.448 nan 8.230 nan 0.000 0.436 456 R N 2.444 122.923 120.500 -0.036 0.000 2.607 456 R HA 0.577 4.913 4.340 -0.006 0.000 0.261 456 R C -0.435 175.915 176.300 0.084 0.000 1.051 456 R CA -0.487 55.576 56.100 -0.063 0.000 1.110 456 R CB 1.811 31.927 30.300 -0.306 0.000 1.158 456 R HN 0.880 nan 8.270 nan 0.000 0.543 457 S N -0.536 115.203 115.700 0.065 0.000 2.704 457 S HA 0.304 4.770 4.470 -0.006 0.000 0.305 457 S C 0.558 175.139 174.600 -0.032 0.000 1.107 457 S CA -0.789 57.497 58.200 0.143 0.000 0.993 457 S CB 1.671 64.974 63.200 0.171 0.000 1.110 457 S HN 0.731 nan 8.310 nan 0.000 0.534 458 R N 0.322 120.762 120.500 -0.100 0.000 2.175 458 R HA 0.099 4.436 4.340 -0.006 0.000 0.202 458 R C 0.353 176.630 176.300 -0.039 0.000 1.018 458 R CA 0.852 56.899 56.100 -0.089 0.000 1.029 458 R CB -0.137 30.085 30.300 -0.130 0.000 0.959 458 R HN 0.666 nan 8.270 nan 0.000 0.480 459 D N -0.233 120.153 120.400 -0.023 0.000 2.634 459 D HA -0.079 4.557 4.640 -0.006 0.000 0.262 459 D C 1.603 177.921 176.300 0.029 0.000 1.354 459 D CA 1.699 55.706 54.000 0.012 0.000 1.028 459 D CB -0.799 40.019 40.800 0.031 0.000 1.061 459 D HN 0.195 nan 8.370 nan 0.000 0.387 460 T N -0.573 114.014 114.554 0.055 0.000 3.026 460 T HA -0.204 4.143 4.350 -0.006 0.000 0.271 460 T C 1.404 176.125 174.700 0.036 0.000 1.149 460 T CA 1.823 63.955 62.100 0.054 0.000 1.088 460 T CB -0.936 67.978 68.868 0.077 0.000 0.857 460 T HN 0.226 nan 8.240 nan 0.000 0.551 461 T N 0.565 115.133 114.554 0.024 0.000 4.526 461 T HA -0.271 4.076 4.350 -0.006 0.000 0.332 461 T C 0.169 174.871 174.700 0.005 0.000 0.846 461 T CA 1.091 63.192 62.100 0.002 0.000 1.955 461 T CB -1.979 66.892 68.868 0.005 0.000 2.056 461 T HN 0.716 nan 8.240 nan 0.000 0.866 462 M N 0.303 119.913 119.600 0.017 0.000 2.226 462 M HA 0.239 4.715 4.480 -0.006 0.000 0.324 462 M C 1.046 177.351 176.300 0.008 0.000 1.112 462 M CA 0.506 55.815 55.300 0.015 0.000 1.176 462 M CB 0.549 33.157 32.600 0.013 0.000 1.430 462 M HN 0.035 nan 8.290 nan 0.000 0.462 463 K N 1.643 122.057 120.400 0.023 0.000 3.147 463 K HA 0.233 4.550 4.320 -0.006 0.000 0.214 463 K C -0.504 176.120 176.600 0.041 0.000 1.221 463 K CA -0.165 56.152 56.287 0.049 0.000 1.117 463 K CB 0.243 32.803 32.500 0.099 0.000 1.278 463 K HN 0.614 nan 8.250 nan 0.000 0.479 464 E N 0.932 121.126 120.200 -0.009 0.000 2.504 464 E HA -0.068 4.278 4.350 -0.006 0.000 0.266 464 E C -0.054 176.527 176.600 -0.031 0.000 1.239 464 E CA 0.763 57.133 56.400 -0.050 0.000 1.064 464 E CB 0.399 30.021 29.700 -0.129 0.000 0.996 464 E HN 0.195 nan 8.360 nan 0.000 0.479 465 M N 1.556 121.106 119.600 -0.082 0.000 2.243 465 M HA 0.413 4.889 4.480 -0.006 0.000 0.324 465 M C -0.552 175.619 176.300 -0.216 0.000 1.031 465 M CA -0.175 55.078 55.300 -0.077 0.000 0.949 465 M CB 1.658 34.224 32.600 -0.056 0.000 1.615 465 M HN 0.386 nan 8.290 nan 0.000 0.430 466 M N 2.352 121.819 119.600 -0.221 0.000 2.518 466 M HA 0.447 4.923 4.480 -0.006 0.000 0.300 466 M C -1.065 175.057 176.300 -0.298 0.000 1.175 466 M CA -0.719 54.319 55.300 -0.436 0.000 0.890 466 M CB 2.036 34.387 32.600 -0.414 0.000 1.710 466 M HN 0.632 nan 8.290 nan 0.000 0.453 467 H N 5.224 124.248 119.070 -0.077 0.000 3.224 467 H HA 0.155 4.708 4.556 -0.006 0.000 0.265 467 H C 0.170 175.481 175.328 -0.028 0.000 1.461 467 H CA -0.103 55.920 56.048 -0.042 0.000 1.509 467 H CB -0.843 28.895 29.762 -0.040 0.000 1.686 467 H HN 0.697 nan 8.280 nan 0.000 0.514 468 I N 2.433 123.040 120.570 0.062 0.000 3.524 468 I HA -0.214 3.953 4.170 -0.006 0.000 0.330 468 I C -0.365 175.786 176.117 0.057 0.000 1.130 468 I CA 0.981 62.309 61.300 0.046 0.000 2.562 468 I CB -0.418 37.611 38.000 0.048 0.000 1.782 468 I HN 0.472 nan 8.210 nan 0.000 1.224 469 S N 3.375 119.112 115.700 0.061 0.000 2.210 469 S HA 0.014 4.481 4.470 -0.006 0.000 0.182 469 S C 0.837 175.477 174.600 0.067 0.000 0.786 469 S CA -0.422 57.813 58.200 0.059 0.000 1.744 469 S CB -0.014 63.218 63.200 0.054 0.000 1.206 469 S HN 0.663 nan 8.310 nan 0.000 0.528 470 K N 1.338 121.783 120.400 0.076 0.000 2.506 470 K HA 0.349 4.666 4.320 -0.006 0.000 0.204 470 K C 1.102 177.759 176.600 0.095 0.000 1.045 470 K CA 0.009 56.348 56.287 0.088 0.000 1.074 470 K CB 0.254 32.819 32.500 0.110 0.000 0.842 470 K HN 0.148 nan 8.250 nan 0.000 0.514 471 L N 1.182 122.453 121.223 0.080 0.000 2.162 471 L HA 0.081 4.418 4.340 -0.006 0.000 0.205 471 L C 1.834 178.811 176.870 0.179 0.000 1.086 471 L CA 1.752 56.663 54.840 0.119 0.000 0.778 471 L CB -0.483 41.612 42.059 0.059 0.000 0.928 471 L HN 0.105 nan 8.230 nan 0.000 0.446 472 K N -0.379 120.091 120.400 0.117 0.000 1.973 472 K HA -0.189 4.128 4.320 -0.006 0.000 0.212 472 K C 1.715 178.372 176.600 0.096 0.000 1.047 472 K CA 1.858 58.200 56.287 0.092 0.000 0.937 472 K CB -0.291 32.248 32.500 0.064 0.000 0.721 472 K HN 0.296 nan 8.250 nan 0.000 0.440 473 D N -0.111 120.349 120.400 0.100 0.000 2.265 473 D HA -0.165 4.471 4.640 -0.006 0.000 0.208 473 D C 1.643 178.018 176.300 0.125 0.000 0.977 473 D CA 0.824 54.881 54.000 0.094 0.000 0.871 473 D CB -0.035 40.818 40.800 0.089 0.000 0.925 473 D HN 0.236 nan 8.370 nan 0.000 0.485 474 F N 1.321 121.281 119.950 0.016 0.000 2.118 474 F HA -0.047 4.476 4.527 -0.007 0.000 0.293 474 F C 2.127 177.957 175.800 0.050 0.000 1.102 474 F CA 0.841 58.845 58.000 0.006 0.000 1.247 474 F CB -0.547 38.413 39.000 -0.066 0.000 1.017 474 F HN -0.187 nan 8.300 nan 0.000 0.475 475 L N 0.395 121.489 121.223 -0.214 0.000 2.012 475 L HA -0.243 4.093 4.340 -0.006 0.000 0.210 475 L C 2.531 179.351 176.870 -0.083 0.000 1.073 475 L CA 1.677 56.392 54.840 -0.207 0.000 0.748 475 L CB -0.855 41.223 42.059 0.032 0.000 0.891 475 L HN 0.206 nan 8.230 nan 0.000 0.431 476 I N -0.530 120.024 120.570 -0.026 0.000 2.315 476 I HA -0.295 3.872 4.170 -0.006 0.000 0.251 476 I C 2.553 178.658 176.117 -0.019 0.000 1.125 476 I CA 1.101 62.399 61.300 -0.003 0.000 1.392 476 I CB -0.334 37.676 38.000 0.016 0.000 1.065 476 I HN 0.260 nan 8.210 nan 0.000 0.424 477 K N 0.171 120.542 120.400 -0.049 0.000 2.020 477 K HA -0.117 4.199 4.320 -0.006 0.000 0.206 477 K C 2.079 178.635 176.600 -0.072 0.000 1.038 477 K CA 1.249 57.510 56.287 -0.043 0.000 0.947 477 K CB -1.027 31.465 32.500 -0.014 0.000 0.744 477 K HN 0.205 nan 8.250 nan 0.000 0.442 478 Y N 2.157 122.286 120.300 -0.286 0.000 2.096 478 Y HA -0.304 4.242 4.550 -0.006 0.000 0.278 478 Y C 2.126 177.969 175.900 -0.095 0.000 1.192 478 Y CA 1.816 59.775 58.100 -0.234 0.000 1.143 478 Y CB -0.338 37.865 38.460 -0.429 0.000 0.963 478 Y HN -0.009 nan 8.280 nan 0.000 0.505 479 I N -1.207 119.360 120.570 -0.005 0.000 2.110 479 I HA -0.333 3.833 4.170 -0.006 0.000 0.236 479 I C 2.721 178.803 176.117 -0.058 0.000 1.068 479 I CA 1.766 63.056 61.300 -0.017 0.000 1.333 479 I CB -0.794 37.241 38.000 0.059 0.000 1.054 479 I HN 0.177 nan 8.210 nan 0.000 0.402 480 S N -0.255 115.425 115.700 -0.033 0.000 2.465 480 S HA -0.195 4.271 4.470 -0.006 0.000 0.241 480 S C 2.126 176.697 174.600 -0.049 0.000 1.000 480 S CA 1.751 59.938 58.200 -0.021 0.000 0.964 480 S CB -0.292 62.904 63.200 -0.006 0.000 0.763 480 S HN 0.442 nan 8.310 nan 0.000 0.512 481 S N 0.849 116.486 115.700 -0.104 0.000 2.335 481 S HA 0.110 4.576 4.470 -0.006 0.000 0.217 481 S C 2.127 176.632 174.600 -0.158 0.000 1.032 481 S CA 1.080 59.201 58.200 -0.131 0.000 0.985 481 S CB -0.789 62.308 63.200 -0.172 0.000 0.896 481 S HN 0.677 nan 8.310 nan 0.000 0.445 482 A N 1.444 124.106 122.820 -0.264 0.000 2.148 482 A HA -0.196 4.120 4.320 -0.006 0.000 0.222 482 A C 1.984 179.579 177.584 0.019 0.000 1.161 482 A CA 2.049 53.947 52.037 -0.232 0.000 0.662 482 A CB -0.635 18.156 19.000 -0.348 0.000 0.799 482 A HN 0.674 nan 8.150 nan 0.000 0.466 483 K N -0.566 119.842 120.400 0.013 0.000 1.991 483 K HA -0.132 4.185 4.320 -0.006 0.000 0.208 483 K C 1.863 178.438 176.600 -0.041 0.000 1.038 483 K CA 1.282 57.579 56.287 0.016 0.000 0.943 483 K CB -0.310 32.201 32.500 0.018 0.000 0.736 483 K HN 0.364 nan 8.250 nan 0.000 0.440 484 N N 0.828 119.505 118.700 -0.039 0.000 2.037 484 N HA -0.150 4.586 4.740 -0.006 0.000 0.196 484 N C 0.617 176.086 175.510 -0.068 0.000 1.034 484 N CA 1.144 54.167 53.050 -0.045 0.000 0.861 484 N CB -0.490 37.975 38.487 -0.038 0.000 1.039 484 N HN -0.021 nan 8.380 nan 0.000 0.427 485 V N 0.000 119.868 119.914 -0.077 0.000 2.409 485 V HA 0.000 4.116 4.120 -0.006 0.000 0.244 485 V CA 0.000 62.249 62.300 -0.085 0.000 1.235 485 V CB 0.000 31.763 31.823 -0.101 0.000 1.184 485 V HN 0.000 nan 8.190 nan 0.000 0.556