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 2x0x_1_C DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPXXXXXX FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLCLEIA LPTKPLNDVN DATA SEQUENCE DENGEIALCT LSAFNLGAIN NLDELEELAI LAVRALDALL DYQDYPIPAA DATA SEQUENCE KRGAMGRRTL GIGVINFAYY LAKHGKRYSD GSANNLTHKT FEAIQYYLLK DATA SEQUENCE ASNELAKEQG ACPWFNETTY AKGILPIDTY KKDLDTIANE PLHYDWEALR DATA SEQUENCE ESIKTHGLRN STLSALMPSE TSSQISNATN GIEPPRGYVS IKASKDGILR DATA SEQUENCE QVVPDYEHLH DAYELLWEMP GNDGYLQLVG IMQKFIDQSI SANTNYDPSR DATA SEQUENCE FPSGKVPMQQ LLKDLLTAYK FGVKTLYYQN TRDG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.516 175.510 0.010 0.000 1.280 4 N CA 0.000 53.057 53.050 0.012 0.000 0.885 4 N CB 0.000 38.492 38.487 0.009 0.000 1.341 5 L N 2.009 123.239 121.223 0.012 0.000 2.492 5 L HA -0.126 4.213 4.340 -0.001 0.000 0.539 5 L C -1.572 175.283 176.870 -0.025 0.000 1.002 5 L CA 0.078 54.920 54.840 0.005 0.000 1.255 5 L CB -0.136 41.934 42.059 0.019 0.000 1.655 5 L HN 0.161 nan 8.230 nan 0.000 0.843 6 L N 5.093 126.296 121.223 -0.033 0.000 2.334 6 L HA 0.855 5.195 4.340 -0.001 0.000 0.270 6 L C -0.342 176.468 176.870 -0.100 0.000 1.018 6 L CA -0.969 53.840 54.840 -0.052 0.000 0.811 6 L CB 1.921 43.964 42.059 -0.027 0.000 1.271 6 L HN 0.289 nan 8.230 nan 0.000 0.443 7 V N 0.107 119.957 119.914 -0.107 0.000 2.588 7 V HA 0.291 4.411 4.120 -0.001 0.000 0.304 7 V C -0.186 175.846 176.094 -0.104 0.000 1.042 7 V CA -0.592 61.619 62.300 -0.149 0.000 0.877 7 V CB 2.053 33.774 31.823 -0.169 0.000 0.996 7 V HN 0.717 nan 8.190 nan 0.000 0.425 8 T N 5.831 120.322 114.554 -0.105 0.000 2.738 8 T HA 0.195 4.545 4.350 -0.001 0.000 0.294 8 T C 0.360 175.016 174.700 -0.074 0.000 0.914 8 T CA -0.321 61.739 62.100 -0.068 0.000 1.052 8 T CB -0.126 68.716 68.868 -0.044 0.000 0.897 8 T HN 0.408 nan 8.240 nan 0.000 0.522 9 K N 2.882 123.248 120.400 -0.057 0.000 2.397 9 K HA 0.023 4.343 4.320 -0.001 0.000 0.265 9 K C 1.619 178.193 176.600 -0.043 0.000 0.982 9 K CA -0.332 55.925 56.287 -0.050 0.000 0.931 9 K CB 0.438 32.919 32.500 -0.032 0.000 0.943 9 K HN 0.526 nan 8.250 nan 0.000 0.501 10 R N 1.663 122.139 120.500 -0.040 0.000 2.438 10 R HA -0.178 4.161 4.340 -0.001 0.000 0.227 10 R C 0.603 176.889 176.300 -0.022 0.000 1.153 10 R CA 1.397 57.477 56.100 -0.034 0.000 1.059 10 R CB -0.555 29.730 30.300 -0.025 0.000 0.831 10 R HN 0.716 nan 8.270 nan 0.000 0.487 11 D N -2.592 117.797 120.400 -0.019 0.000 2.618 11 D HA 0.073 4.712 4.640 -0.001 0.000 0.278 11 D C 1.300 177.593 176.300 -0.011 0.000 1.203 11 D CA 0.776 54.768 54.000 -0.012 0.000 1.073 11 D CB -0.048 40.746 40.800 -0.009 0.000 1.632 11 D HN 0.208 nan 8.370 nan 0.000 0.473 12 G N 0.647 109.440 108.800 -0.012 0.000 4.320 12 G HA2 0.042 4.001 3.960 -0.001 0.000 0.150 12 G HA3 0.042 4.001 3.960 -0.001 0.000 0.150 12 G C 0.280 175.173 174.900 -0.011 0.000 0.889 12 G CA 0.465 45.560 45.100 -0.009 0.000 0.877 12 G HN 0.415 nan 8.290 nan 0.000 0.425 13 S N 0.959 116.652 115.700 -0.012 0.000 2.572 13 S HA 0.479 4.949 4.470 -0.001 0.000 0.267 13 S C 0.257 174.846 174.600 -0.019 0.000 1.361 13 S CA 0.757 58.949 58.200 -0.013 0.000 1.009 13 S CB 1.211 64.404 63.200 -0.011 0.000 0.888 13 S HN 1.220 nan 8.310 nan 0.000 0.553 14 T N -1.289 113.254 114.554 -0.018 0.000 2.886 14 T HA 0.680 5.029 4.350 -0.001 0.000 0.292 14 T C -1.167 173.519 174.700 -0.023 0.000 1.012 14 T CA -0.857 61.228 62.100 -0.024 0.000 0.982 14 T CB 1.491 70.347 68.868 -0.020 0.000 1.018 14 T HN 0.705 nan 8.240 nan 0.000 0.451 15 E N 1.110 121.291 120.200 -0.032 0.000 2.369 15 E HA 0.572 4.922 4.350 -0.001 0.000 0.270 15 E C -0.743 175.836 176.600 -0.035 0.000 0.909 15 E CA -1.259 55.125 56.400 -0.027 0.000 0.775 15 E CB 1.819 31.505 29.700 -0.024 0.000 1.270 15 E HN 0.579 nan 8.360 nan 0.000 0.445 16 R N 0.864 121.349 120.500 -0.026 0.000 2.679 16 R HA 0.163 4.503 4.340 -0.001 0.000 0.268 16 R C 0.165 176.440 176.300 -0.041 0.000 1.044 16 R CA -0.183 55.900 56.100 -0.028 0.000 1.105 16 R CB 0.082 30.373 30.300 -0.015 0.000 0.989 16 R HN 0.486 nan 8.270 nan 0.000 0.447 17 I N 1.565 122.102 120.570 -0.055 0.000 2.752 17 I HA -0.103 4.066 4.170 -0.001 0.000 0.287 17 I C -0.023 176.070 176.117 -0.041 0.000 1.188 17 I CA 0.432 61.685 61.300 -0.077 0.000 1.427 17 I CB 0.422 38.357 38.000 -0.108 0.000 1.365 17 I HN 0.517 nan 8.210 nan 0.000 0.585 18 N N 7.426 126.104 118.700 -0.036 0.000 2.707 18 N HA 0.239 4.978 4.740 -0.001 0.000 0.235 18 N C 0.414 175.935 175.510 0.018 0.000 1.028 18 N CA -0.254 52.795 53.050 -0.002 0.000 0.906 18 N CB 0.701 39.193 38.487 0.009 0.000 1.131 18 N HN 0.664 nan 8.380 nan 0.000 0.509 19 L N 0.856 122.098 121.223 0.033 0.000 2.156 19 L HA -0.039 4.301 4.340 -0.001 0.000 0.208 19 L C 1.176 178.122 176.870 0.128 0.000 1.095 19 L CA 0.667 55.556 54.840 0.082 0.000 0.770 19 L CB -0.004 42.110 42.059 0.091 0.000 0.914 19 L HN 0.333 nan 8.230 nan 0.000 0.439 20 D N 0.436 120.887 120.400 0.085 0.000 2.117 20 D HA -0.204 4.436 4.640 -0.001 0.000 0.197 20 D C 2.106 178.472 176.300 0.110 0.000 0.987 20 D CA 1.165 55.220 54.000 0.092 0.000 0.829 20 D CB 0.010 40.839 40.800 0.049 0.000 0.961 20 D HN 0.190 nan 8.370 nan 0.000 0.460 21 K N 0.348 120.791 120.400 0.072 0.000 2.057 21 K HA -0.103 4.216 4.320 -0.001 0.000 0.207 21 K C 2.248 178.871 176.600 0.039 0.000 1.049 21 K CA 0.713 57.028 56.287 0.047 0.000 0.931 21 K CB -0.128 32.397 32.500 0.041 0.000 0.714 21 K HN 0.074 nan 8.250 nan 0.000 0.440 22 I N 0.070 120.688 120.570 0.081 0.000 2.179 22 I HA -0.296 3.874 4.170 -0.001 0.000 0.242 22 I C 2.429 178.609 176.117 0.105 0.000 1.088 22 I CA 1.634 62.995 61.300 0.101 0.000 1.357 22 I CB -0.389 37.734 38.000 0.205 0.000 1.051 22 I HN 0.321 nan 8.210 nan 0.000 0.409 23 H N 1.196 120.316 119.070 0.083 0.000 2.353 23 H HA -0.154 4.402 4.556 -0.001 0.000 0.298 23 H C 2.388 177.732 175.328 0.026 0.000 1.103 23 H CA 1.860 57.944 56.048 0.060 0.000 1.293 23 H CB 0.062 29.860 29.762 0.061 0.000 1.372 23 H HN 0.116 nan 8.280 nan 0.000 0.501 24 R N -0.542 119.989 120.500 0.053 0.000 2.092 24 R HA -0.079 4.260 4.340 -0.001 0.000 0.231 24 R C 2.381 178.643 176.300 -0.062 0.000 1.119 24 R CA 1.328 57.427 56.100 -0.002 0.000 0.970 24 R CB -0.163 30.155 30.300 0.030 0.000 0.864 24 R HN 0.241 nan 8.270 nan 0.000 0.440 25 V N 1.425 121.258 119.914 -0.134 0.000 2.358 25 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 25 V C 2.303 178.384 176.094 -0.023 0.000 1.047 25 V CA 1.463 63.633 62.300 -0.216 0.000 1.035 25 V CB -0.399 31.059 31.823 -0.609 0.000 0.658 25 V HN 0.246 nan 8.190 nan 0.000 0.452 26 L N 0.188 121.358 121.223 -0.089 0.000 2.046 26 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 26 L C 2.392 179.183 176.870 -0.132 0.000 1.077 26 L CA 2.139 56.922 54.840 -0.095 0.000 0.747 26 L CB -0.598 41.390 42.059 -0.118 0.000 0.896 26 L HN 0.411 nan 8.230 nan 0.000 0.432 27 D N -0.807 119.474 120.400 -0.199 0.000 2.104 27 D HA -0.292 4.347 4.640 -0.001 0.000 0.194 27 D C 1.945 178.213 176.300 -0.053 0.000 0.994 27 D CA 1.322 55.226 54.000 -0.160 0.000 0.830 27 D CB -0.195 40.502 40.800 -0.171 0.000 0.959 27 D HN 0.344 nan 8.370 nan 0.000 0.452 28 W N 1.369 122.567 121.300 -0.170 0.000 2.317 28 W HA -0.215 4.444 4.660 -0.001 0.000 0.318 28 W C 2.194 178.645 176.519 -0.114 0.000 1.227 28 W CA 2.717 59.976 57.345 -0.143 0.000 1.269 28 W CB -0.743 28.602 29.460 -0.191 0.000 1.155 28 W HN 0.036 nan 8.180 nan 0.000 0.484 29 A N 0.453 123.052 122.820 -0.369 0.000 2.015 29 A HA 0.078 4.398 4.320 -0.001 0.000 0.219 29 A C 2.012 179.353 177.584 -0.406 0.000 1.163 29 A CA 1.954 53.616 52.037 -0.625 0.000 0.646 29 A CB -1.328 17.529 19.000 -0.238 0.000 0.806 29 A HN 0.518 nan 8.150 nan 0.000 0.448 30 A N -0.748 121.905 122.820 -0.277 0.000 2.218 30 A HA 0.244 4.564 4.320 -0.001 0.000 0.209 30 A C 0.826 178.265 177.584 -0.241 0.000 1.168 30 A CA 0.254 52.152 52.037 -0.231 0.000 0.804 30 A CB -0.170 18.720 19.000 -0.184 0.000 0.834 30 A HN 0.366 nan 8.150 nan 0.000 0.482 31 E N -0.201 119.840 120.200 -0.265 0.000 2.465 31 E HA 0.353 4.703 4.350 -0.001 0.000 0.260 31 E C 1.308 177.766 176.600 -0.236 0.000 0.980 31 E CA 1.001 57.270 56.400 -0.218 0.000 0.927 31 E CB 0.001 29.584 29.700 -0.194 0.000 0.934 31 E HN 0.728 nan 8.360 nan 0.000 0.459 32 G N 3.358 112.022 108.800 -0.225 0.000 2.184 32 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.264 32 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.264 32 G C 0.198 174.825 174.900 -0.456 0.000 0.975 32 G CA 0.466 45.401 45.100 -0.275 0.000 0.642 32 G HN 0.424 nan 8.290 nan 0.000 0.536 33 L N -0.262 120.706 121.223 -0.425 0.000 2.416 33 L HA 0.725 5.065 4.340 -0.001 0.000 0.262 33 L C 0.569 177.106 176.870 -0.555 0.000 1.093 33 L CA -1.017 53.560 54.840 -0.438 0.000 0.801 33 L CB 1.108 43.008 42.059 -0.266 0.000 1.191 33 L HN 0.254 nan 8.230 nan 0.000 0.459 34 H N 0.132 119.146 119.070 -0.093 0.000 2.690 34 H HA 0.254 4.810 4.556 -0.001 0.000 0.368 34 H C -0.167 175.095 175.328 -0.109 0.000 1.150 34 H CA -0.728 55.271 56.048 -0.081 0.000 1.174 34 H CB 1.304 31.042 29.762 -0.040 0.000 1.684 34 H HN 0.604 nan 8.280 nan 0.000 0.538 35 N N 0.181 118.907 118.700 0.044 0.000 2.747 35 N HA -0.178 4.561 4.740 -0.001 0.000 0.249 35 N C -1.123 174.307 175.510 -0.133 0.000 1.107 35 N CA 0.960 54.003 53.050 -0.011 0.000 0.707 35 N CB -0.861 37.642 38.487 0.026 0.000 1.054 35 N HN 0.382 nan 8.380 nan 0.000 0.555 36 V N -2.829 116.933 119.914 -0.253 0.000 2.581 36 V HA 0.847 4.967 4.120 -0.001 0.000 0.303 36 V C 0.329 176.327 176.094 -0.160 0.000 1.041 36 V CA -0.303 61.687 62.300 -0.518 0.000 0.907 36 V CB 2.079 33.412 31.823 -0.816 0.000 0.994 36 V HN 0.218 nan 8.190 nan 0.000 0.442 37 S N 4.054 119.775 115.700 0.035 0.000 2.601 37 S HA 0.491 4.960 4.470 -0.001 0.000 0.312 37 S C 0.741 175.386 174.600 0.075 0.000 1.107 37 S CA -0.684 57.557 58.200 0.069 0.000 1.129 37 S CB 0.559 63.820 63.200 0.102 0.000 0.982 37 S HN 0.757 nan 8.310 nan 0.000 0.469 38 I N 3.982 124.557 120.570 0.009 0.000 2.194 38 I HA -0.202 3.967 4.170 -0.001 0.000 0.246 38 I C 2.754 178.872 176.117 0.002 0.000 1.093 38 I CA 1.875 63.169 61.300 -0.011 0.000 1.355 38 I CB -0.255 37.703 38.000 -0.070 0.000 1.046 38 I HN 0.831 nan 8.210 nan 0.000 0.413 39 S N -0.065 115.646 115.700 0.019 0.000 2.383 39 S HA -0.223 4.246 4.470 -0.001 0.000 0.227 39 S C 2.027 176.602 174.600 -0.041 0.000 1.026 39 S CA 0.841 59.039 58.200 -0.002 0.000 0.981 39 S CB -0.252 62.958 63.200 0.016 0.000 0.818 39 S HN 0.373 nan 8.310 nan 0.000 0.472 40 Q N 0.966 120.759 119.800 -0.011 0.000 2.084 40 Q HA -0.018 4.322 4.340 -0.001 0.000 0.202 40 Q C 2.513 178.473 176.000 -0.068 0.000 0.978 40 Q CA 1.560 57.344 55.803 -0.031 0.000 0.844 40 Q CB -1.014 27.726 28.738 0.004 0.000 0.898 40 Q HN 0.569 nan 8.270 nan 0.000 0.426 41 V N 1.152 121.045 119.914 -0.036 0.000 2.343 41 V HA -0.243 3.876 4.120 -0.001 0.000 0.247 41 V C 2.152 178.161 176.094 -0.142 0.000 1.051 41 V CA 1.847 64.112 62.300 -0.057 0.000 1.036 41 V CB -0.499 31.334 31.823 0.016 0.000 0.654 41 V HN 0.392 nan 8.190 nan 0.000 0.451 42 E N -0.022 120.048 120.200 -0.217 0.000 2.085 42 E HA -0.218 4.132 4.350 -0.001 0.000 0.194 42 E C 2.235 178.462 176.600 -0.622 0.000 0.994 42 E CA 1.388 57.441 56.400 -0.579 0.000 0.801 42 E CB -0.219 29.186 29.700 -0.492 0.000 0.743 42 E HN 0.508 nan 8.360 nan 0.000 0.453 43 L N 0.317 121.355 121.223 -0.308 0.000 2.017 43 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 43 L C 2.572 179.335 176.870 -0.178 0.000 1.073 43 L CA 1.264 55.981 54.840 -0.204 0.000 0.745 43 L CB -0.294 41.693 42.059 -0.120 0.000 0.894 43 L HN 0.031 nan 8.230 nan 0.000 0.432 44 R N -0.346 120.058 120.500 -0.160 0.000 2.115 44 R HA -0.107 4.233 4.340 -0.001 0.000 0.230 44 R C 2.534 178.747 176.300 -0.144 0.000 1.111 44 R CA 1.572 57.595 56.100 -0.129 0.000 0.976 44 R CB -0.238 29.993 30.300 -0.114 0.000 0.870 44 R HN 0.486 nan 8.270 nan 0.000 0.445 45 S N -0.709 114.883 115.700 -0.180 0.000 2.404 45 S HA -0.036 4.434 4.470 -0.001 0.000 0.223 45 S C 1.690 175.919 174.600 -0.618 0.000 1.040 45 S CA 0.347 58.423 58.200 -0.207 0.000 0.957 45 S CB -0.398 62.795 63.200 -0.010 0.000 0.826 45 S HN 0.423 nan 8.310 nan 0.000 0.491 46 H N 0.291 118.878 119.070 -0.805 0.000 2.457 46 H HA 0.133 4.689 4.556 -0.001 0.000 0.294 46 H C 1.881 176.819 175.328 -0.650 0.000 1.064 46 H CA 0.998 56.369 56.048 -1.127 0.000 1.330 46 H CB -0.060 29.436 29.762 -0.444 0.000 1.395 46 H HN 0.320 nan 8.280 nan 0.000 0.541 47 I N 1.448 121.876 120.570 -0.237 0.000 2.700 47 I HA -0.214 3.955 4.170 -0.001 0.000 0.261 47 I C 1.556 177.634 176.117 -0.065 0.000 1.219 47 I CA 1.354 62.590 61.300 -0.107 0.000 1.463 47 I CB -0.078 37.880 38.000 -0.069 0.000 1.092 47 I HN 0.226 nan 8.210 nan 0.000 0.452 48 Q N -0.822 118.905 119.800 -0.121 0.000 2.356 48 Q HA 0.109 4.448 4.340 -0.001 0.000 0.205 48 Q C -0.203 175.952 176.000 0.258 0.000 0.901 48 Q CA -0.167 55.670 55.803 0.056 0.000 0.938 48 Q CB 0.207 28.981 28.738 0.061 0.000 1.081 48 Q HN 0.227 nan 8.270 nan 0.000 0.517 49 F N 1.340 121.326 119.950 0.060 0.000 2.418 49 F HA 0.223 4.750 4.527 -0.001 0.000 0.341 49 F C 0.136 175.951 175.800 0.025 0.000 1.120 49 F CA -1.543 56.420 58.000 -0.061 0.000 1.232 49 F CB -0.067 38.858 39.000 -0.124 0.000 1.175 49 F HN -0.031 nan 8.300 nan 0.000 0.569 50 Y N -1.929 118.485 120.300 0.190 0.000 2.553 50 Y HA 0.485 5.035 4.550 -0.001 0.000 0.347 50 Y C -0.803 175.128 175.900 0.050 0.000 1.019 50 Y CA -2.146 56.012 58.100 0.097 0.000 1.032 50 Y CB 0.457 38.957 38.460 0.067 0.000 1.284 50 Y HN 0.481 nan 8.280 nan 0.000 0.466 51 D N 1.354 121.859 120.400 0.176 0.000 2.502 51 D HA 0.367 5.006 4.640 -0.001 0.000 0.249 51 D C 1.042 177.411 176.300 0.115 0.000 1.188 51 D CA 2.755 56.807 54.000 0.087 0.000 0.890 51 D CB 0.056 40.910 40.800 0.090 0.000 1.140 51 D HN 1.065 nan 8.370 nan 0.000 0.505 52 G N 3.446 112.242 108.800 -0.008 0.000 2.184 52 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.206 52 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.206 52 G C 0.524 175.378 174.900 -0.077 0.000 0.995 52 G CA -0.218 44.887 45.100 0.010 0.000 0.651 52 G HN 0.645 nan 8.290 nan 0.000 0.511 53 I N 1.637 121.986 120.570 -0.369 0.000 2.668 53 I HA 0.261 4.431 4.170 -0.001 0.000 0.285 53 I C 1.026 176.961 176.117 -0.304 0.000 1.168 53 I CA -0.241 60.709 61.300 -0.583 0.000 1.424 53 I CB 0.353 37.754 38.000 -0.998 0.000 1.377 53 I HN 0.102 nan 8.210 nan 0.000 0.560 54 K N 4.862 125.156 120.400 -0.178 0.000 2.485 54 K HA -0.036 4.283 4.320 -0.001 0.000 0.277 54 K C 1.016 177.487 176.600 -0.214 0.000 0.990 54 K CA 0.221 56.426 56.287 -0.136 0.000 0.994 54 K CB 0.958 33.421 32.500 -0.061 0.000 0.906 54 K HN 0.736 nan 8.250 nan 0.000 0.488 55 T N 0.921 115.345 114.554 -0.216 0.000 2.759 55 T HA -0.152 4.198 4.350 -0.001 0.000 0.269 55 T C 1.725 176.132 174.700 -0.488 0.000 1.042 55 T CA 2.063 63.975 62.100 -0.314 0.000 1.140 55 T CB -0.055 68.672 68.868 -0.236 0.000 0.864 55 T HN 0.787 nan 8.240 nan 0.000 0.455 56 S N 0.824 116.344 115.700 -0.300 0.000 2.461 56 S HA -0.050 4.420 4.470 -0.001 0.000 0.228 56 S C 1.552 176.061 174.600 -0.153 0.000 1.005 56 S CA 0.610 58.691 58.200 -0.197 0.000 0.942 56 S CB -0.139 63.089 63.200 0.046 0.000 0.776 56 S HN 0.363 nan 8.310 nan 0.000 0.514 57 D N 1.794 122.117 120.400 -0.129 0.000 2.183 57 D HA 0.130 4.769 4.640 -0.001 0.000 0.203 57 D C 1.843 178.104 176.300 -0.066 0.000 0.969 57 D CA 0.667 54.629 54.000 -0.064 0.000 0.842 57 D CB -0.256 40.527 40.800 -0.028 0.000 0.957 57 D HN 0.425 nan 8.370 nan 0.000 0.484 58 I N 0.689 121.142 120.570 -0.194 0.000 2.179 58 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 58 I C 2.262 178.444 176.117 0.108 0.000 1.088 58 I CA 1.235 62.420 61.300 -0.193 0.000 1.357 58 I CB -0.276 37.457 38.000 -0.446 0.000 1.051 58 I HN 0.139 nan 8.210 nan 0.000 0.409 59 H N 0.209 119.244 119.070 -0.060 0.000 2.321 59 H HA -0.143 4.413 4.556 -0.001 0.000 0.300 59 H C 2.159 177.421 175.328 -0.110 0.000 1.087 59 H CA 0.940 56.946 56.048 -0.071 0.000 1.319 59 H CB 0.098 29.752 29.762 -0.179 0.000 1.379 59 H HN 0.291 nan 8.280 nan 0.000 0.501 60 E N 0.370 120.549 120.200 -0.036 0.000 2.110 60 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 60 E C 2.261 178.901 176.600 0.067 0.000 0.988 60 E CA 1.147 57.537 56.400 -0.018 0.000 0.804 60 E CB -0.427 29.266 29.700 -0.013 0.000 0.745 60 E HN 0.459 nan 8.360 nan 0.000 0.458 61 T N 2.309 116.935 114.554 0.120 0.000 2.708 61 T HA -0.130 4.220 4.350 -0.001 0.000 0.266 61 T C 2.209 176.996 174.700 0.146 0.000 1.037 61 T CA 1.568 63.768 62.100 0.166 0.000 1.146 61 T CB -0.343 68.713 68.868 0.313 0.000 0.865 61 T HN 0.388 nan 8.240 nan 0.000 0.435 62 I N -0.634 120.049 120.570 0.188 0.000 2.353 62 I HA -0.006 4.163 4.170 -0.001 0.000 0.248 62 I C 2.175 178.332 176.117 0.066 0.000 1.119 62 I CA 1.289 62.675 61.300 0.144 0.000 1.417 62 I CB -0.599 37.517 38.000 0.193 0.000 1.078 62 I HN 0.123 nan 8.210 nan 0.000 0.421 63 I N 1.636 122.246 120.570 0.068 0.000 2.127 63 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 63 I C 2.788 178.870 176.117 -0.058 0.000 1.075 63 I CA 1.926 63.249 61.300 0.038 0.000 1.334 63 I CB -0.465 37.603 38.000 0.113 0.000 1.040 63 I HN 0.260 nan 8.210 nan 0.000 0.405 64 K N 1.087 121.477 120.400 -0.016 0.000 2.097 64 K HA -0.160 4.159 4.320 -0.001 0.000 0.205 64 K C 2.172 178.713 176.600 -0.099 0.000 1.050 64 K CA 1.306 57.560 56.287 -0.054 0.000 0.938 64 K CB -0.086 32.420 32.500 0.011 0.000 0.718 64 K HN 0.312 nan 8.250 nan 0.000 0.442 65 A N 0.998 123.779 122.820 -0.065 0.000 1.902 65 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 65 A C 2.302 179.796 177.584 -0.150 0.000 1.181 65 A CA 1.818 53.799 52.037 -0.093 0.000 0.623 65 A CB -0.746 18.219 19.000 -0.058 0.000 0.818 65 A HN 0.467 nan 8.150 nan 0.000 0.443 66 A N -0.159 122.592 122.820 -0.116 0.000 1.873 66 A HA 0.207 4.527 4.320 -0.001 0.000 0.215 66 A C 2.520 179.970 177.584 -0.225 0.000 1.186 66 A CA 1.982 53.963 52.037 -0.093 0.000 0.616 66 A CB -1.064 17.945 19.000 0.016 0.000 0.823 66 A HN 1.054 nan 8.150 nan 0.000 0.442 67 A N 0.080 122.694 122.820 -0.345 0.000 1.908 67 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 67 A C 1.654 179.063 177.584 -0.291 0.000 1.181 67 A CA 1.934 53.673 52.037 -0.496 0.000 0.627 67 A CB -0.647 17.849 19.000 -0.841 0.000 0.818 67 A HN 0.430 nan 8.150 nan 0.000 0.445 68 D N -0.430 119.828 120.400 -0.237 0.000 2.350 68 D HA -0.030 4.609 4.640 -0.001 0.000 0.216 68 D C 1.319 177.470 176.300 -0.248 0.000 0.968 68 D CA 0.703 54.591 54.000 -0.188 0.000 0.894 68 D CB -0.102 40.609 40.800 -0.147 0.000 0.909 68 D HN 0.475 nan 8.370 nan 0.000 0.520 69 L N 0.190 121.174 121.223 -0.398 0.000 2.640 69 L HA 0.230 4.569 4.340 -0.001 0.000 0.230 69 L C 0.553 177.151 176.870 -0.454 0.000 1.123 69 L CA -0.234 54.245 54.840 -0.602 0.000 0.900 69 L CB 0.382 41.698 42.059 -1.238 0.000 1.146 69 L HN -0.151 nan 8.230 nan 0.000 0.484 70 I N 0.734 121.172 120.570 -0.219 0.000 2.598 70 I HA -0.007 4.163 4.170 -0.001 0.000 0.284 70 I C 0.665 176.749 176.117 -0.054 0.000 1.140 70 I CA 0.600 61.874 61.300 -0.043 0.000 1.420 70 I CB 0.475 38.454 38.000 -0.036 0.000 1.387 70 I HN 0.226 nan 8.210 nan 0.000 0.553 71 S N 5.648 121.339 115.700 -0.015 0.000 2.672 71 S HA 0.422 4.892 4.470 -0.001 0.000 0.271 71 S C 0.538 175.078 174.600 -0.100 0.000 1.171 71 S CA -1.100 57.064 58.200 -0.061 0.000 0.817 71 S CB 1.523 64.688 63.200 -0.057 0.000 1.150 71 S HN 0.719 nan 8.310 nan 0.000 0.478 72 R N 0.210 120.582 120.500 -0.212 0.000 2.189 72 R HA 0.047 4.386 4.340 -0.001 0.000 0.218 72 R C 0.173 176.341 176.300 -0.220 0.000 1.074 72 R CA 1.349 57.176 56.100 -0.455 0.000 0.991 72 R CB -0.724 29.030 30.300 -0.910 0.000 0.883 72 R HN 0.591 nan 8.270 nan 0.000 0.457 73 D N 1.560 121.909 120.400 -0.084 0.000 2.234 73 D HA 0.015 4.654 4.640 -0.001 0.000 0.205 73 D C 0.339 176.668 176.300 0.048 0.000 0.962 73 D CA 1.190 55.193 54.000 0.005 0.000 0.855 73 D CB 0.351 41.152 40.800 0.002 0.000 0.951 73 D HN 0.383 nan 8.370 nan 0.000 0.500 74 A N 1.490 124.355 122.820 0.075 0.000 3.105 74 A HA 0.329 4.648 4.320 -0.001 0.000 0.336 74 A C -1.745 175.930 177.584 0.152 0.000 1.042 74 A CA -0.980 51.143 52.037 0.144 0.000 0.851 74 A CB 0.935 20.123 19.000 0.313 0.000 1.068 74 A HN -0.120 nan 8.150 nan 0.000 0.477 75 P HA -0.121 nan 4.420 nan 0.000 0.221 75 P C 0.353 177.727 177.300 0.123 0.000 1.150 75 P CA 1.064 64.221 63.100 0.095 0.000 0.800 75 P CB 0.313 32.087 31.700 0.123 0.000 0.787 76 D N -1.158 119.305 120.400 0.105 0.000 2.351 76 D HA -0.141 4.499 4.640 -0.001 0.000 0.216 76 D C 1.631 177.922 176.300 -0.015 0.000 0.968 76 D CA 0.759 54.816 54.000 0.094 0.000 0.899 76 D CB -0.836 39.954 40.800 -0.017 0.000 0.907 76 D HN 0.218 nan 8.370 nan 0.000 0.514 77 Y N 1.126 121.431 120.300 0.008 0.000 2.333 77 Y HA -0.151 4.399 4.550 -0.001 0.000 0.290 77 Y C 2.357 178.203 175.900 -0.089 0.000 1.144 77 Y CA 0.904 58.975 58.100 -0.049 0.000 1.228 77 Y CB -0.261 38.152 38.460 -0.077 0.000 0.985 77 Y HN 0.091 nan 8.280 nan 0.000 0.542 78 Q N -1.382 118.433 119.800 0.024 0.000 2.135 78 Q HA -0.246 4.093 4.340 -0.001 0.000 0.204 78 Q C 1.567 177.410 176.000 -0.261 0.000 0.981 78 Q CA 1.931 57.641 55.803 -0.155 0.000 0.856 78 Q CB -0.328 28.187 28.738 -0.371 0.000 0.902 78 Q HN 0.585 nan 8.270 nan 0.000 0.425 79 Y N -0.486 119.849 120.300 0.058 0.000 2.347 79 Y HA -0.105 4.444 4.550 -0.000 0.000 0.294 79 Y C 1.955 177.853 175.900 -0.004 0.000 1.117 79 Y CA 0.323 58.443 58.100 0.033 0.000 1.184 79 Y CB -0.283 38.167 38.460 -0.016 0.000 1.047 79 Y HN 0.078 nan 8.280 nan 0.000 0.546 80 L N 0.396 121.659 121.223 0.065 0.000 1.989 80 L HA -0.194 4.145 4.340 -0.001 0.000 0.211 80 L C 2.402 179.299 176.870 0.046 0.000 1.071 80 L CA 2.204 57.045 54.840 0.002 0.000 0.749 80 L CB -1.057 40.985 42.059 -0.028 0.000 0.890 80 L HN 0.146 nan 8.230 nan 0.000 0.431 81 A N -0.624 122.216 122.820 0.034 0.000 1.902 81 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 81 A C 2.455 180.162 177.584 0.205 0.000 1.181 81 A CA 1.933 53.960 52.037 -0.017 0.000 0.623 81 A CB -1.276 17.477 19.000 -0.412 0.000 0.818 81 A HN 0.610 nan 8.150 nan 0.000 0.443 82 A N 0.024 123.007 122.820 0.271 0.000 1.892 82 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 82 A C 2.257 180.027 177.584 0.310 0.000 1.188 82 A CA 1.836 54.070 52.037 0.327 0.000 0.631 82 A CB -0.512 18.642 19.000 0.257 0.000 0.822 82 A HN 0.578 nan 8.150 nan 0.000 0.447 83 R N -0.650 119.997 120.500 0.244 0.000 2.115 83 R HA 0.051 4.391 4.340 -0.001 0.000 0.230 83 R C 2.069 178.626 176.300 0.428 0.000 1.111 83 R CA 1.182 57.433 56.100 0.253 0.000 0.976 83 R CB -0.467 29.776 30.300 -0.094 0.000 0.870 83 R HN 0.517 nan 8.270 nan 0.000 0.445 84 L N 0.217 121.625 121.223 0.309 0.000 2.046 84 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 84 L C 2.698 179.801 176.870 0.388 0.000 1.077 84 L CA 1.335 56.370 54.840 0.324 0.000 0.747 84 L CB -0.634 41.527 42.059 0.171 0.000 0.896 84 L HN 0.243 nan 8.230 nan 0.000 0.432 85 A N 0.238 123.272 122.820 0.357 0.000 1.902 85 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 85 A C 2.197 179.996 177.584 0.358 0.000 1.181 85 A CA 1.389 53.641 52.037 0.359 0.000 0.623 85 A CB -0.517 18.681 19.000 0.330 0.000 0.818 85 A HN 0.257 nan 8.150 nan 0.000 0.443 86 I N -1.292 119.505 120.570 0.379 0.000 2.163 86 I HA -0.235 3.934 4.170 -0.001 0.000 0.243 86 I C 2.346 178.711 176.117 0.414 0.000 1.085 86 I CA 1.500 63.023 61.300 0.371 0.000 1.347 86 I CB -1.512 36.764 38.000 0.459 0.000 1.044 86 I HN 0.476 nan 8.210 nan 0.000 0.408 87 F N 1.579 121.785 119.950 0.425 0.000 2.065 87 F HA -0.337 4.190 4.527 -0.001 0.000 0.298 87 F C 2.906 178.840 175.800 0.223 0.000 1.112 87 F CA 2.429 60.648 58.000 0.364 0.000 1.212 87 F CB -0.631 38.509 39.000 0.232 0.000 0.975 87 F HN 0.199 nan 8.300 nan 0.000 0.476 88 H N 0.238 119.490 119.070 0.304 0.000 2.353 88 H HA -0.175 4.380 4.556 -0.001 0.000 0.298 88 H C 2.025 177.399 175.328 0.077 0.000 1.103 88 H CA 2.505 58.666 56.048 0.189 0.000 1.293 88 H CB -0.538 29.376 29.762 0.255 0.000 1.372 88 H HN 0.401 nan 8.280 nan 0.000 0.501 89 L N -0.456 120.735 121.223 -0.054 0.000 2.217 89 L HA -0.092 4.248 4.340 -0.001 0.000 0.211 89 L C 2.657 179.375 176.870 -0.252 0.000 1.107 89 L CA 0.636 55.364 54.840 -0.186 0.000 0.783 89 L CB -0.248 41.774 42.059 -0.060 0.000 0.919 89 L HN 0.231 nan 8.230 nan 0.000 0.442 90 R N 0.543 120.933 120.500 -0.184 0.000 2.081 90 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 90 R C 2.175 178.329 176.300 -0.243 0.000 1.131 90 R CA 1.211 57.178 56.100 -0.222 0.000 0.960 90 R CB -0.411 29.770 30.300 -0.199 0.000 0.856 90 R HN 0.373 nan 8.270 nan 0.000 0.436 91 K N 0.754 121.002 120.400 -0.253 0.000 2.057 91 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 91 K C 2.171 178.661 176.600 -0.184 0.000 1.049 91 K CA 1.219 57.393 56.287 -0.188 0.000 0.931 91 K CB -0.040 32.384 32.500 -0.128 0.000 0.714 91 K HN 0.095 nan 8.250 nan 0.000 0.440 92 K N 0.113 120.344 120.400 -0.281 0.000 2.057 92 K HA -0.132 4.188 4.320 -0.001 0.000 0.207 92 K C 2.107 178.548 176.600 -0.265 0.000 1.049 92 K CA 1.380 57.500 56.287 -0.279 0.000 0.931 92 K CB -0.062 32.217 32.500 -0.370 0.000 0.714 92 K HN 0.129 nan 8.250 nan 0.000 0.440 93 A N -0.119 122.454 122.820 -0.412 0.000 1.935 93 A HA -0.073 4.246 4.320 -0.001 0.000 0.214 93 A C 1.125 178.458 177.584 -0.418 0.000 1.178 93 A CA 1.049 52.753 52.037 -0.555 0.000 0.640 93 A CB -0.125 18.252 19.000 -1.038 0.000 0.825 93 A HN 0.285 nan 8.150 nan 0.000 0.447 94 Y N -1.838 118.432 120.300 -0.051 0.000 2.471 94 Y HA 0.405 4.954 4.550 -0.001 0.000 0.249 94 Y C 1.723 177.591 175.900 -0.052 0.000 1.116 94 Y CA -0.598 57.475 58.100 -0.046 0.000 1.240 94 Y CB -0.226 38.182 38.460 -0.087 0.000 1.251 94 Y HN 0.377 nan 8.280 nan 0.000 0.527 95 G N 1.189 110.012 108.800 0.038 0.000 2.166 95 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 95 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 95 G C 0.111 175.017 174.900 0.011 0.000 0.986 95 G CA 0.895 46.004 45.100 0.014 0.000 0.683 95 G HN 0.537 nan 8.290 nan 0.000 0.527 96 Q N -3.180 116.628 119.800 0.013 0.000 2.738 96 Q HA 0.646 4.986 4.340 -0.001 0.000 0.301 96 Q C 0.389 176.370 176.000 -0.032 0.000 0.901 96 Q CA -0.609 55.188 55.803 -0.010 0.000 0.756 96 Q CB 0.113 28.858 28.738 0.010 0.000 1.463 96 Q HN 0.515 nan 8.270 nan 0.000 0.432 97 F N 0.862 120.688 119.950 -0.208 0.000 2.179 97 F HA 0.220 4.746 4.527 -0.001 0.000 0.292 97 F C 0.729 176.442 175.800 -0.145 0.000 1.089 97 F CA 0.850 58.696 58.000 -0.258 0.000 1.295 97 F CB 0.435 39.250 39.000 -0.308 0.000 1.041 97 F HN 0.554 nan 8.300 nan 0.000 0.487 98 E N 3.117 123.219 120.200 -0.164 0.000 2.415 98 E HA 0.069 4.418 4.350 -0.001 0.000 0.260 98 E C -2.241 174.105 176.600 -0.423 0.000 1.016 98 E CA -1.659 54.569 56.400 -0.286 0.000 0.924 98 E CB 0.370 30.013 29.700 -0.095 0.000 0.961 98 E HN 0.117 nan 8.360 nan 0.000 0.459 99 P HA 0.091 nan 4.420 nan 0.000 0.272 99 P C -2.303 174.670 177.300 -0.546 0.000 1.223 99 P CA -0.973 61.518 63.100 -1.015 0.000 0.784 99 P CB -0.018 30.855 31.700 -1.378 0.000 0.923 100 P HA 0.078 nan 4.420 nan 0.000 0.273 100 P C -0.550 176.762 177.300 0.020 0.000 1.250 100 P CA -0.218 62.785 63.100 -0.162 0.000 0.793 100 P CB 0.298 31.919 31.700 -0.132 0.000 1.011 101 A N 0.919 123.759 122.820 0.034 0.000 2.555 101 A HA -0.034 4.286 4.320 -0.001 0.000 0.233 101 A C 1.414 179.033 177.584 0.057 0.000 1.060 101 A CA -0.258 51.830 52.037 0.085 0.000 0.759 101 A CB -0.645 18.394 19.000 0.065 0.000 0.995 101 A HN 0.655 nan 8.150 nan 0.000 0.506 102 L N 2.558 123.836 121.223 0.092 0.000 2.012 102 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 102 L C 2.048 178.824 176.870 -0.157 0.000 1.073 102 L CA 2.566 57.364 54.840 -0.070 0.000 0.748 102 L CB -1.081 41.041 42.059 0.106 0.000 0.891 102 L HN 0.854 nan 8.230 nan 0.000 0.431 103 Y N 0.813 121.001 120.300 -0.187 0.000 2.114 103 Y HA -0.315 4.234 4.550 -0.001 0.000 0.282 103 Y C 2.318 178.045 175.900 -0.289 0.000 1.165 103 Y CA 2.264 60.159 58.100 -0.342 0.000 1.148 103 Y CB -0.492 37.881 38.460 -0.146 0.000 0.972 103 Y HN 0.378 nan 8.280 nan 0.000 0.504 104 D N -1.487 118.822 120.400 -0.152 0.000 2.117 104 D HA -0.214 4.426 4.640 -0.001 0.000 0.197 104 D C 2.024 178.176 176.300 -0.247 0.000 0.987 104 D CA 1.909 55.791 54.000 -0.198 0.000 0.829 104 D CB -0.675 40.090 40.800 -0.058 0.000 0.961 104 D HN 0.547 nan 8.370 nan 0.000 0.460 105 H N 0.809 119.682 119.070 -0.329 0.000 2.321 105 H HA -0.065 4.491 4.556 -0.001 0.000 0.300 105 H C 1.961 177.078 175.328 -0.353 0.000 1.087 105 H CA 1.581 57.424 56.048 -0.342 0.000 1.319 105 H CB -0.310 29.115 29.762 -0.562 0.000 1.379 105 H HN -0.094 nan 8.280 nan 0.000 0.501 106 V N -0.139 119.476 119.914 -0.497 0.000 2.295 106 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 106 V C 2.704 178.508 176.094 -0.483 0.000 1.049 106 V CA 1.540 63.575 62.300 -0.443 0.000 1.024 106 V CB -0.781 30.695 31.823 -0.579 0.000 0.648 106 V HN 0.336 nan 8.190 nan 0.000 0.447 107 V N -0.008 119.533 119.914 -0.623 0.000 2.252 107 V HA -0.365 3.755 4.120 -0.001 0.000 0.249 107 V C 2.483 178.353 176.094 -0.374 0.000 1.056 107 V CA 2.601 64.587 62.300 -0.523 0.000 1.022 107 V CB -0.711 30.743 31.823 -0.616 0.000 0.641 107 V HN 0.559 nan 8.190 nan 0.000 0.445 108 K N -0.888 119.290 120.400 -0.370 0.000 2.063 108 K HA -0.200 4.119 4.320 -0.001 0.000 0.208 108 K C 2.216 178.578 176.600 -0.396 0.000 1.048 108 K CA 1.661 57.757 56.287 -0.319 0.000 0.928 108 K CB -0.129 32.215 32.500 -0.259 0.000 0.713 108 K HN 0.271 nan 8.250 nan 0.000 0.442 109 M N 0.470 119.732 119.600 -0.564 0.000 2.175 109 M HA -0.116 4.363 4.480 -0.001 0.000 0.264 109 M C 2.258 178.294 176.300 -0.439 0.000 1.063 109 M CA 0.975 55.849 55.300 -0.710 0.000 1.119 109 M CB -0.598 31.146 32.600 -1.427 0.000 1.377 109 M HN -0.000 nan 8.290 nan 0.000 0.415 110 V N 0.376 120.115 119.914 -0.293 0.000 2.295 110 V HA -0.259 3.860 4.120 -0.001 0.000 0.246 110 V C 2.223 178.219 176.094 -0.163 0.000 1.049 110 V CA 1.872 64.077 62.300 -0.160 0.000 1.024 110 V CB -0.741 31.007 31.823 -0.126 0.000 0.648 110 V HN 0.408 nan 8.190 nan 0.000 0.447 111 E N -0.280 119.804 120.200 -0.193 0.000 2.097 111 E HA -0.242 4.108 4.350 -0.001 0.000 0.196 111 E C 2.064 178.564 176.600 -0.167 0.000 1.000 111 E CA 1.700 58.003 56.400 -0.162 0.000 0.804 111 E CB -0.262 29.340 29.700 -0.164 0.000 0.740 111 E HN 0.552 nan 8.360 nan 0.000 0.454 112 M N -1.169 118.292 119.600 -0.231 0.000 2.619 112 M HA 0.100 4.580 4.480 -0.001 0.000 0.251 112 M C 1.129 177.306 176.300 -0.205 0.000 1.106 112 M CA 0.793 55.945 55.300 -0.246 0.000 1.086 112 M CB 0.455 32.823 32.600 -0.387 0.000 1.465 112 M HN 0.277 nan 8.290 nan 0.000 0.506 113 G N 0.598 109.298 108.800 -0.168 0.000 2.160 113 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.251 113 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.251 113 G C 0.909 175.754 174.900 -0.092 0.000 1.008 113 G CA 0.252 45.290 45.100 -0.102 0.000 0.724 113 G HN 0.319 nan 8.290 nan 0.000 0.514 114 K N -1.190 119.108 120.400 -0.171 0.000 2.242 114 K HA 0.222 4.542 4.320 -0.001 0.000 0.200 114 K C 0.548 177.180 176.600 0.054 0.000 1.050 114 K CA 0.599 56.805 56.287 -0.136 0.000 0.981 114 K CB 0.199 32.490 32.500 -0.348 0.000 0.795 114 K HN 0.427 nan 8.250 nan 0.000 0.477 115 Y N 1.374 121.619 120.300 -0.092 0.000 2.457 115 Y HA 0.218 4.768 4.550 -0.001 0.000 0.333 115 Y C 0.432 176.311 175.900 -0.034 0.000 1.119 115 Y CA -2.410 55.654 58.100 -0.058 0.000 1.143 115 Y CB 0.585 38.969 38.460 -0.126 0.000 1.230 115 Y HN -0.056 nan 8.280 nan 0.000 0.469 116 D N 2.155 122.661 120.400 0.177 0.000 2.425 116 D HA -0.074 4.566 4.640 -0.001 0.000 0.247 116 D C 0.972 177.308 176.300 0.060 0.000 1.147 116 D CA 0.149 54.230 54.000 0.136 0.000 0.879 116 D CB 0.728 41.678 40.800 0.250 0.000 1.179 116 D HN 0.762 nan 8.370 nan 0.000 0.456 117 N N 3.624 122.367 118.700 0.072 0.000 2.520 117 N HA -0.251 4.488 4.740 -0.001 0.000 0.185 117 N C 1.520 177.084 175.510 0.091 0.000 1.068 117 N CA 0.754 53.835 53.050 0.052 0.000 0.911 117 N CB -0.491 38.021 38.487 0.041 0.000 0.961 117 N HN 0.637 nan 8.380 nan 0.000 0.446 118 H N 0.891 120.031 119.070 0.117 0.000 2.460 118 H HA -0.026 4.530 4.556 -0.001 0.000 0.297 118 H C 2.085 177.528 175.328 0.192 0.000 1.103 118 H CA 1.158 57.288 56.048 0.137 0.000 1.292 118 H CB -0.541 29.308 29.762 0.145 0.000 1.376 118 H HN 0.155 nan 8.280 nan 0.000 0.531 119 L N -0.174 120.837 121.223 -0.353 0.000 2.042 119 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 119 L C 2.451 179.538 176.870 0.363 0.000 1.076 119 L CA 1.289 56.114 54.840 -0.026 0.000 0.749 119 L CB -0.282 41.762 42.059 -0.025 0.000 0.893 119 L HN 0.363 nan 8.230 nan 0.000 0.432 120 L N -1.137 120.231 121.223 0.242 0.000 2.240 120 L HA -0.120 4.220 4.340 -0.001 0.000 0.211 120 L C 2.358 179.388 176.870 0.266 0.000 1.106 120 L CA 0.706 55.730 54.840 0.307 0.000 0.793 120 L CB -0.326 41.803 42.059 0.115 0.000 0.927 120 L HN 0.262 nan 8.230 nan 0.000 0.446 121 E N 0.178 120.492 120.200 0.190 0.000 2.072 121 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 121 E C 1.298 177.965 176.600 0.112 0.000 0.985 121 E CA 1.194 57.681 56.400 0.145 0.000 0.801 121 E CB 0.084 29.865 29.700 0.134 0.000 0.750 121 E HN 0.452 nan 8.360 nan 0.000 0.452 122 D N -1.044 119.423 120.400 0.113 0.000 2.333 122 D HA 0.002 4.642 4.640 -0.001 0.000 0.208 122 D C -0.295 175.781 176.300 -0.373 0.000 0.984 122 D CA 0.767 54.707 54.000 -0.100 0.000 0.873 122 D CB 0.264 41.011 40.800 -0.087 0.000 0.935 122 D HN 0.131 nan 8.370 nan 0.000 0.521 123 Y N -0.069 120.244 120.300 0.022 0.000 2.425 123 Y HA 0.270 4.820 4.550 -0.001 0.000 0.344 123 Y C 0.730 176.640 175.900 0.017 0.000 0.969 123 Y CA -1.218 56.793 58.100 -0.147 0.000 1.052 123 Y CB 1.599 39.663 38.460 -0.660 0.000 1.215 123 Y HN -0.305 nan 8.280 nan 0.000 0.451 124 T N -2.350 112.277 114.554 0.122 0.000 2.849 124 T HA 0.132 4.481 4.350 -0.001 0.000 0.284 124 T C 1.102 175.908 174.700 0.177 0.000 1.004 124 T CA -0.519 61.662 62.100 0.134 0.000 1.021 124 T CB 1.377 70.268 68.868 0.037 0.000 1.013 124 T HN 0.886 nan 8.240 nan 0.000 0.527 125 E N 0.541 120.750 120.200 0.016 0.000 2.114 125 E HA -0.287 4.063 4.350 -0.001 0.000 0.199 125 E C 1.692 178.202 176.600 -0.150 0.000 1.008 125 E CA 1.932 58.110 56.400 -0.371 0.000 0.810 125 E CB -0.116 29.105 29.700 -0.798 0.000 0.739 125 E HN 0.818 nan 8.360 nan 0.000 0.456 126 E N 0.553 120.691 120.200 -0.103 0.000 2.110 126 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 126 E C 1.929 178.487 176.600 -0.069 0.000 0.988 126 E CA 1.431 57.784 56.400 -0.077 0.000 0.804 126 E CB -0.074 29.592 29.700 -0.057 0.000 0.745 126 E HN 0.377 nan 8.360 nan 0.000 0.458 127 E N -0.496 119.665 120.200 -0.065 0.000 2.150 127 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 127 E C 1.557 177.999 176.600 -0.264 0.000 0.985 127 E CA 0.622 56.944 56.400 -0.130 0.000 0.814 127 E CB -0.113 29.558 29.700 -0.048 0.000 0.752 127 E HN 0.219 nan 8.360 nan 0.000 0.466 128 F N 1.385 121.295 119.950 -0.067 0.000 2.146 128 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 128 F C 2.178 177.899 175.800 -0.132 0.000 1.096 128 F CA 1.110 59.059 58.000 -0.085 0.000 1.275 128 F CB -0.166 38.888 39.000 0.090 0.000 1.008 128 F HN -0.150 nan 8.300 nan 0.000 0.480 129 K N -0.127 120.298 120.400 0.043 0.000 2.063 129 K HA -0.254 4.066 4.320 -0.001 0.000 0.208 129 K C 2.145 178.649 176.600 -0.160 0.000 1.048 129 K CA 1.640 57.901 56.287 -0.043 0.000 0.928 129 K CB -0.327 32.140 32.500 -0.055 0.000 0.713 129 K HN 0.320 nan 8.250 nan 0.000 0.442 130 Q N 0.311 119.972 119.800 -0.231 0.000 2.020 130 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 130 Q C 2.160 177.615 176.000 -0.909 0.000 0.982 130 Q CA 1.633 57.194 55.803 -0.403 0.000 0.838 130 Q CB 0.027 28.591 28.738 -0.290 0.000 0.899 130 Q HN 0.313 nan 8.270 nan 0.000 0.423 131 M N 0.224 119.321 119.600 -0.839 0.000 2.149 131 M HA -0.212 4.267 4.480 -0.001 0.000 0.261 131 M C 1.638 177.571 176.300 -0.612 0.000 1.064 131 M CA 1.238 55.964 55.300 -0.956 0.000 1.102 131 M CB -0.276 32.059 32.600 -0.442 0.000 1.369 131 M HN 0.152 nan 8.290 nan 0.000 0.408 132 D N 0.091 120.302 120.400 -0.315 0.000 2.182 132 D HA -0.138 4.501 4.640 -0.001 0.000 0.201 132 D C 2.004 178.204 176.300 -0.165 0.000 0.986 132 D CA 1.915 55.831 54.000 -0.139 0.000 0.847 132 D CB -0.080 40.713 40.800 -0.012 0.000 0.942 132 D HN 0.444 nan 8.370 nan 0.000 0.467 133 T N -2.102 112.306 114.554 -0.243 0.000 2.962 133 T HA -0.137 4.212 4.350 -0.001 0.000 0.270 133 T C 1.845 176.570 174.700 0.042 0.000 1.088 133 T CA 0.631 62.666 62.100 -0.108 0.000 1.127 133 T CB -0.554 68.264 68.868 -0.084 0.000 0.883 133 T HN -0.031 nan 8.240 nan 0.000 0.493 134 F N 1.594 121.485 119.950 -0.099 0.000 2.259 134 F HA 0.416 4.942 4.527 -0.001 0.000 0.298 134 F C 1.407 177.126 175.800 -0.136 0.000 1.088 134 F CA -1.461 56.476 58.000 -0.105 0.000 1.358 134 F CB -0.990 37.917 39.000 -0.156 0.000 1.040 134 F HN 0.198 nan 8.300 nan 0.000 0.505 135 I N 1.511 122.005 120.570 -0.128 0.000 2.710 135 I HA -0.053 4.117 4.170 -0.001 0.000 0.286 135 I C -0.051 176.015 176.117 -0.085 0.000 1.181 135 I CA 0.407 61.544 61.300 -0.271 0.000 1.430 135 I CB 0.262 38.002 38.000 -0.433 0.000 1.367 135 I HN -0.071 nan 8.210 nan 0.000 0.577 136 D N 5.271 125.692 120.400 0.035 0.000 2.420 136 D HA 0.165 4.805 4.640 -0.001 0.000 0.255 136 D C 0.895 177.195 176.300 0.001 0.000 1.185 136 D CA -0.379 53.630 54.000 0.015 0.000 0.904 136 D CB 0.538 41.377 40.800 0.065 0.000 1.102 136 D HN 0.381 nan 8.370 nan 0.000 0.534 137 H N 1.731 120.827 119.070 0.042 0.000 2.489 137 H HA -0.077 4.479 4.556 -0.001 0.000 0.293 137 H C 0.521 175.895 175.328 0.076 0.000 1.066 137 H CA 0.929 56.977 56.048 -0.000 0.000 1.305 137 H CB 0.464 30.152 29.762 -0.122 0.000 1.386 137 H HN 0.491 nan 8.280 nan 0.000 0.551 138 D N 0.496 121.019 120.400 0.204 0.000 2.312 138 D HA -0.074 4.566 4.640 -0.001 0.000 0.211 138 D C 1.995 178.371 176.300 0.126 0.000 0.964 138 D CA 0.264 54.386 54.000 0.204 0.000 0.877 138 D CB -0.045 40.859 40.800 0.173 0.000 0.924 138 D HN 0.428 nan 8.370 nan 0.000 0.515 139 R N 0.761 121.299 120.500 0.062 0.000 2.241 139 R HA -0.093 4.246 4.340 -0.001 0.000 0.224 139 R C 0.948 177.222 176.300 -0.042 0.000 1.101 139 R CA 0.666 56.731 56.100 -0.058 0.000 0.995 139 R CB -0.173 30.026 30.300 -0.169 0.000 0.870 139 R HN 0.149 nan 8.270 nan 0.000 0.463 140 D N 0.727 121.238 120.400 0.184 0.000 2.263 140 D HA -0.116 4.523 4.640 -0.001 0.000 0.208 140 D C 1.389 177.921 176.300 0.387 0.000 0.971 140 D CA 1.018 55.264 54.000 0.409 0.000 0.867 140 D CB 0.026 41.092 40.800 0.442 0.000 0.929 140 D HN 0.044 nan 8.370 nan 0.000 0.492 141 M N -0.087 119.662 119.600 0.249 0.000 2.619 141 M HA -0.010 4.469 4.480 -0.001 0.000 0.251 141 M C 1.724 178.108 176.300 0.141 0.000 1.106 141 M CA 0.723 56.142 55.300 0.198 0.000 1.086 141 M CB -0.802 31.869 32.600 0.118 0.000 1.465 141 M HN 0.037 nan 8.290 nan 0.000 0.506 142 T N -3.335 111.261 114.554 0.069 0.000 3.081 142 T HA 0.158 4.508 4.350 -0.001 0.000 0.250 142 T C 0.459 175.324 174.700 0.275 0.000 1.100 142 T CA -0.282 61.858 62.100 0.066 0.000 1.038 142 T CB -0.359 68.488 68.868 -0.035 0.000 0.962 142 T HN -0.006 nan 8.240 nan 0.000 0.516 143 F N 3.758 123.969 119.950 0.434 0.000 2.459 143 F HA 0.467 4.994 4.527 -0.001 0.000 0.346 143 F C 1.379 177.337 175.800 0.264 0.000 1.128 143 F CA -0.940 57.260 58.000 0.333 0.000 1.268 143 F CB 0.654 39.793 39.000 0.233 0.000 1.161 143 F HN 0.170 nan 8.300 nan 0.000 0.583 144 S N 2.285 118.111 115.700 0.210 0.000 2.669 144 S HA 0.151 4.621 4.470 -0.001 0.000 0.270 144 S C 0.780 175.363 174.600 -0.028 0.000 1.225 144 S CA -0.576 57.466 58.200 -0.263 0.000 0.991 144 S CB 0.486 63.472 63.200 -0.356 0.000 0.987 144 S HN 0.647 nan 8.310 nan 0.000 0.552 145 Y N 1.517 121.709 120.300 -0.179 0.000 2.128 145 Y HA -0.073 4.476 4.550 -0.001 0.000 0.284 145 Y C 2.597 178.460 175.900 -0.063 0.000 1.154 145 Y CA 2.028 60.084 58.100 -0.074 0.000 1.149 145 Y CB -1.175 37.245 38.460 -0.066 0.000 0.976 145 Y HN 0.819 nan 8.280 nan 0.000 0.505 146 A N 0.341 123.077 122.820 -0.141 0.000 1.978 146 A HA -0.111 4.209 4.320 -0.001 0.000 0.220 146 A C 2.426 179.877 177.584 -0.222 0.000 1.170 146 A CA 1.814 53.724 52.037 -0.212 0.000 0.636 146 A CB -1.439 17.509 19.000 -0.087 0.000 0.810 146 A HN 0.614 nan 8.150 nan 0.000 0.448 147 A N -0.415 122.308 122.820 -0.162 0.000 1.877 147 A HA -0.034 4.286 4.320 -0.001 0.000 0.216 147 A C 2.212 179.607 177.584 -0.314 0.000 1.186 147 A CA 1.861 53.792 52.037 -0.175 0.000 0.620 147 A CB -1.024 17.987 19.000 0.019 0.000 0.822 147 A HN 0.440 nan 8.150 nan 0.000 0.443 148 V N 0.459 120.207 119.914 -0.276 0.000 2.343 148 V HA -0.243 3.876 4.120 -0.001 0.000 0.247 148 V C 2.495 178.406 176.094 -0.305 0.000 1.051 148 V CA 2.175 64.296 62.300 -0.298 0.000 1.036 148 V CB -0.671 31.076 31.823 -0.127 0.000 0.654 148 V HN 0.393 nan 8.190 nan 0.000 0.451 149 K N -0.038 120.132 120.400 -0.384 0.000 2.097 149 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 149 K C 2.184 178.646 176.600 -0.230 0.000 1.049 149 K CA 1.128 57.221 56.287 -0.323 0.000 0.933 149 K CB -0.559 31.695 32.500 -0.410 0.000 0.717 149 K HN 0.476 nan 8.250 nan 0.000 0.442 150 Q N 0.542 120.189 119.800 -0.255 0.000 2.084 150 Q HA -0.040 4.299 4.340 -0.001 0.000 0.202 150 Q C 2.396 178.217 176.000 -0.298 0.000 0.978 150 Q CA 0.989 56.644 55.803 -0.247 0.000 0.844 150 Q CB -0.304 28.261 28.738 -0.287 0.000 0.898 150 Q HN 0.306 nan 8.270 nan 0.000 0.426 151 L N 0.718 121.712 121.223 -0.383 0.000 1.994 151 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 151 L C 2.598 179.399 176.870 -0.115 0.000 1.071 151 L CA 1.535 56.185 54.840 -0.318 0.000 0.745 151 L CB -0.448 41.370 42.059 -0.402 0.000 0.892 151 L HN 0.299 nan 8.230 nan 0.000 0.431 152 E N -0.029 120.094 120.200 -0.128 0.000 2.150 152 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 152 E C 2.099 178.677 176.600 -0.038 0.000 0.985 152 E CA 1.112 57.470 56.400 -0.071 0.000 0.814 152 E CB -0.068 29.590 29.700 -0.072 0.000 0.752 152 E HN 0.477 nan 8.360 nan 0.000 0.466 153 G N 1.070 109.843 108.800 -0.045 0.000 2.430 153 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 153 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 153 G C 1.467 176.388 174.900 0.035 0.000 1.146 153 G CA 0.961 46.054 45.100 -0.011 0.000 0.793 153 G HN 0.352 nan 8.290 nan 0.000 0.537 154 K N -2.401 118.044 120.400 0.076 0.000 2.538 154 K HA 0.312 4.632 4.320 -0.001 0.000 0.215 154 K C 1.251 178.021 176.600 0.283 0.000 1.345 154 K CA -0.280 56.107 56.287 0.166 0.000 0.985 154 K CB 0.130 32.739 32.500 0.181 0.000 1.116 154 K HN 0.125 nan 8.250 nan 0.000 0.582 155 Y N 2.088 122.391 120.300 0.004 0.000 2.314 155 Y HA 0.343 4.893 4.550 -0.001 0.000 0.294 155 Y C 0.954 176.875 175.900 0.034 0.000 1.139 155 Y CA -0.481 57.629 58.100 0.017 0.000 1.162 155 Y CB 0.226 38.669 38.460 -0.027 0.000 1.121 155 Y HN -0.159 nan 8.280 nan 0.000 0.529 156 L N 0.943 122.275 121.223 0.182 0.000 2.416 156 L HA 0.130 4.470 4.340 -0.001 0.000 0.272 156 L C -0.063 176.886 176.870 0.131 0.000 1.161 156 L CA -0.488 54.433 54.840 0.134 0.000 0.845 156 L CB 0.465 42.563 42.059 0.064 0.000 1.119 156 L HN -0.244 nan 8.230 nan 0.000 0.464 157 V N 3.963 123.993 119.914 0.193 0.000 2.599 157 V HA 0.066 4.186 4.120 -0.001 0.000 0.300 157 V C 0.307 176.501 176.094 0.165 0.000 1.034 157 V CA 0.206 62.639 62.300 0.222 0.000 1.115 157 V CB 0.671 32.685 31.823 0.318 0.000 0.934 157 V HN 0.950 nan 8.190 nan 0.000 0.485 158 Q N 3.586 123.452 119.800 0.109 0.000 2.633 158 Q HA 0.392 4.731 4.340 -0.001 0.000 0.289 158 Q C -1.082 174.872 176.000 -0.076 0.000 0.940 158 Q CA -1.009 54.692 55.803 -0.170 0.000 0.785 158 Q CB 1.479 30.131 28.738 -0.144 0.000 1.467 158 Q HN 0.458 nan 8.270 nan 0.000 0.401 159 N N 0.714 119.261 118.700 -0.255 0.000 2.437 159 N HA 0.181 4.921 4.740 -0.001 0.000 0.243 159 N C 0.007 175.486 175.510 -0.051 0.000 1.041 159 N CA 0.045 53.068 53.050 -0.046 0.000 0.940 159 N CB 0.765 39.234 38.487 -0.029 0.000 1.133 159 N HN 0.615 nan 8.380 nan 0.000 0.506 160 R N 1.977 122.475 120.500 -0.005 0.000 2.235 160 R HA 0.014 4.354 4.340 -0.001 0.000 0.213 160 R C 1.478 177.778 176.300 -0.001 0.000 1.059 160 R CA 0.517 56.615 56.100 -0.003 0.000 0.997 160 R CB 0.345 30.653 30.300 0.013 0.000 0.884 160 R HN 0.359 nan 8.270 nan 0.000 0.462 161 V N -0.017 119.899 119.914 0.005 0.000 2.256 161 V HA -0.185 3.934 4.120 -0.001 0.000 0.240 161 V C 2.251 178.343 176.094 -0.003 0.000 1.036 161 V CA 2.335 64.639 62.300 0.006 0.000 1.008 161 V CB -0.279 31.553 31.823 0.014 0.000 0.648 161 V HN 0.472 nan 8.190 nan 0.000 0.453 162 T N -2.813 111.735 114.554 -0.010 0.000 3.081 162 T HA 0.300 4.650 4.350 -0.001 0.000 0.250 162 T C 1.536 176.213 174.700 -0.039 0.000 1.100 162 T CA 1.019 63.109 62.100 -0.017 0.000 1.038 162 T CB 0.633 69.497 68.868 -0.007 0.000 0.962 162 T HN 0.990 nan 8.240 nan 0.000 0.516 163 G N 1.444 110.210 108.800 -0.058 0.000 2.234 163 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.260 163 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.260 163 G C -0.145 174.670 174.900 -0.142 0.000 0.987 163 G CA 0.089 45.144 45.100 -0.074 0.000 0.625 163 G HN 0.672 nan 8.290 nan 0.000 0.532 164 E N 0.065 120.141 120.200 -0.207 0.000 2.465 164 E HA 0.374 4.723 4.350 -0.001 0.000 0.260 164 E C 0.068 176.322 176.600 -0.576 0.000 0.980 164 E CA 0.078 56.261 56.400 -0.362 0.000 0.927 164 E CB 0.825 30.290 29.700 -0.393 0.000 0.934 164 E HN 0.374 nan 8.360 nan 0.000 0.459 165 I N 3.058 123.351 120.570 -0.463 0.000 2.392 165 I HA 0.048 4.217 4.170 -0.001 0.000 0.295 165 I C -0.134 175.749 176.117 -0.391 0.000 0.985 165 I CA -0.098 60.954 61.300 -0.413 0.000 1.221 165 I CB 0.738 38.602 38.000 -0.227 0.000 1.366 165 I HN 0.547 nan 8.210 nan 0.000 0.467 166 Y N 3.210 123.471 120.300 -0.066 0.000 2.462 166 Y HA 0.231 4.781 4.550 -0.001 0.000 0.253 166 Y C 0.687 176.624 175.900 0.061 0.000 1.095 166 Y CA -0.436 57.637 58.100 -0.046 0.000 1.283 166 Y CB 0.086 38.514 38.460 -0.054 0.000 1.138 166 Y HN 0.546 nan 8.280 nan 0.000 0.522 167 E N -0.487 119.843 120.200 0.216 0.000 2.431 167 E HA 0.665 5.015 4.350 -0.001 0.000 0.268 167 E C -0.809 175.877 176.600 0.143 0.000 0.953 167 E CA -1.018 55.584 56.400 0.337 0.000 0.810 167 E CB 2.100 32.130 29.700 0.550 0.000 1.369 167 E HN -0.065 nan 8.360 nan 0.000 0.440 168 S N -0.745 115.097 115.700 0.237 0.000 2.677 168 S HA 0.654 5.123 4.470 -0.001 0.000 0.304 168 S C 0.819 175.500 174.600 0.135 0.000 1.108 168 S CA -0.329 57.935 58.200 0.108 0.000 0.944 168 S CB 1.336 64.581 63.200 0.074 0.000 1.127 168 S HN 0.786 nan 8.310 nan 0.000 0.511 169 A N 0.556 123.442 122.820 0.110 0.000 1.933 169 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 169 A C 2.094 179.756 177.584 0.129 0.000 1.175 169 A CA 1.302 53.381 52.037 0.071 0.000 0.628 169 A CB -0.874 18.245 19.000 0.198 0.000 0.814 169 A HN 0.725 nan 8.150 nan 0.000 0.444 170 Q N -1.138 118.816 119.800 0.256 0.000 2.172 170 Q HA -0.048 4.292 4.340 -0.001 0.000 0.200 170 Q C 1.725 177.920 176.000 0.326 0.000 0.964 170 Q CA 0.895 56.912 55.803 0.357 0.000 0.855 170 Q CB -0.547 28.288 28.738 0.161 0.000 0.918 170 Q HN 0.685 nan 8.270 nan 0.000 0.444 171 F N 0.900 121.002 119.950 0.252 0.000 2.146 171 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 171 F C 2.271 178.194 175.800 0.205 0.000 1.096 171 F CA 0.303 58.434 58.000 0.217 0.000 1.275 171 F CB -1.173 37.955 39.000 0.214 0.000 1.008 171 F HN 0.070 nan 8.300 nan 0.000 0.480 172 L N -1.158 120.272 121.223 0.345 0.000 2.012 172 L HA -0.305 4.035 4.340 -0.001 0.000 0.210 172 L C 2.416 179.428 176.870 0.236 0.000 1.073 172 L CA 1.744 56.698 54.840 0.191 0.000 0.748 172 L CB -0.569 41.513 42.059 0.038 0.000 0.891 172 L HN 0.036 nan 8.230 nan 0.000 0.431 173 Y N -0.547 119.964 120.300 0.352 0.000 2.220 173 Y HA -0.214 4.335 4.550 -0.001 0.000 0.291 173 Y C 2.309 178.472 175.900 0.437 0.000 1.129 173 Y CA 1.376 59.707 58.100 0.384 0.000 1.161 173 Y CB -0.522 38.181 38.460 0.406 0.000 0.997 173 Y HN 0.210 nan 8.280 nan 0.000 0.522 174 I N -0.424 120.464 120.570 0.530 0.000 2.315 174 I HA -0.234 3.935 4.170 -0.001 0.000 0.248 174 I C 1.883 178.120 176.117 0.200 0.000 1.117 174 I CA 1.465 62.921 61.300 0.260 0.000 1.404 174 I CB -0.334 37.650 38.000 -0.026 0.000 1.071 174 I HN 0.110 nan 8.210 nan 0.000 0.419 175 L N -1.383 119.945 121.223 0.175 0.000 2.179 175 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 175 L C 2.443 179.346 176.870 0.054 0.000 1.096 175 L CA 0.339 55.203 54.840 0.040 0.000 0.779 175 L CB -0.571 41.415 42.059 -0.122 0.000 0.922 175 L HN 0.041 nan 8.230 nan 0.000 0.443 176 V N 0.478 120.478 119.914 0.142 0.000 2.287 176 V HA -0.329 3.791 4.120 -0.001 0.000 0.248 176 V C 2.817 178.983 176.094 0.119 0.000 1.053 176 V CA 1.987 64.363 62.300 0.126 0.000 1.027 176 V CB -0.835 31.131 31.823 0.238 0.000 0.646 176 V HN 0.486 nan 8.190 nan 0.000 0.447 177 A N -0.032 122.969 122.820 0.302 0.000 1.883 177 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 177 A C 2.448 180.152 177.584 0.200 0.000 1.186 177 A CA 2.377 54.609 52.037 0.325 0.000 0.624 177 A CB -0.969 18.352 19.000 0.536 0.000 0.822 177 A HN 0.603 nan 8.150 nan 0.000 0.444 178 A N -1.056 121.829 122.820 0.109 0.000 1.908 178 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 178 A C 2.341 180.037 177.584 0.188 0.000 1.181 178 A CA 1.846 53.897 52.037 0.023 0.000 0.627 178 A CB -1.313 17.506 19.000 -0.302 0.000 0.818 178 A HN 0.626 nan 8.150 nan 0.000 0.445 179 C N -0.888 118.452 119.300 0.067 0.000 2.453 179 C HA -0.001 4.459 4.460 -0.001 0.000 0.277 179 C C 2.618 177.453 174.990 -0.258 0.000 1.262 179 C CA 0.937 59.958 59.018 0.004 0.000 1.718 179 C CB -1.432 26.254 27.740 -0.090 0.000 2.031 179 C HN 0.623 nan 8.230 nan 0.000 0.480 180 L N -0.979 120.026 121.223 -0.364 0.000 2.201 180 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 180 L C 1.601 178.068 176.870 -0.672 0.000 1.105 180 L CA 1.520 55.986 54.840 -0.624 0.000 0.775 180 L CB -0.434 41.151 42.059 -0.791 0.000 0.913 180 L HN 0.305 nan 8.230 nan 0.000 0.440 181 F N -0.881 118.926 119.950 -0.240 0.000 2.641 181 F HA 0.037 4.563 4.527 -0.001 0.000 0.302 181 F C 2.339 178.158 175.800 0.032 0.000 1.098 181 F CA 0.125 57.983 58.000 -0.237 0.000 1.318 181 F CB -0.084 38.697 39.000 -0.366 0.000 1.035 181 F HN 0.028 nan 8.300 nan 0.000 0.551 182 S N -0.411 115.380 115.700 0.153 0.000 2.400 182 S HA -0.250 4.219 4.470 -0.001 0.000 0.232 182 S C 1.439 176.055 174.600 0.025 0.000 1.025 182 S CA 1.653 59.916 58.200 0.104 0.000 0.993 182 S CB -0.698 62.594 63.200 0.152 0.000 0.808 182 S HN 0.521 nan 8.310 nan 0.000 0.478 183 N N -0.284 118.465 118.700 0.082 0.000 2.398 183 N HA 0.177 4.917 4.740 -0.001 0.000 0.188 183 N C -0.652 174.897 175.510 0.065 0.000 1.122 183 N CA -0.122 52.953 53.050 0.041 0.000 0.866 183 N CB -0.004 38.480 38.487 -0.005 0.000 0.970 183 N HN 0.325 nan 8.380 nan 0.000 0.462 184 Y N 1.927 122.222 120.300 -0.008 0.000 2.480 184 Y HA 0.110 4.659 4.550 -0.001 0.000 0.338 184 Y C -1.719 174.194 175.900 0.022 0.000 1.220 184 Y CA -2.374 55.741 58.100 0.025 0.000 1.430 184 Y CB 0.161 38.685 38.460 0.108 0.000 1.311 184 Y HN 0.044 nan 8.280 nan 0.000 0.575 185 P HA 0.006 nan 4.420 nan 0.000 0.266 185 P C 0.025 177.388 177.300 0.105 0.000 1.195 185 P CA -0.134 62.999 63.100 0.055 0.000 0.768 185 P CB 0.736 32.450 31.700 0.024 0.000 0.838 186 R N 2.458 122.995 120.500 0.061 0.000 2.303 186 R HA -0.126 4.214 4.340 -0.001 0.000 0.225 186 R C 1.324 177.669 176.300 0.075 0.000 1.114 186 R CA 1.097 57.236 56.100 0.065 0.000 1.007 186 R CB -0.787 29.531 30.300 0.031 0.000 0.861 186 R HN 0.543 nan 8.270 nan 0.000 0.471 187 E N 0.664 120.906 120.200 0.071 0.000 2.106 187 E HA -0.105 4.244 4.350 -0.001 0.000 0.192 187 E C 1.662 178.309 176.600 0.079 0.000 0.984 187 E CA 1.884 58.320 56.400 0.060 0.000 0.806 187 E CB -0.363 29.363 29.700 0.045 0.000 0.750 187 E HN 0.525 nan 8.360 nan 0.000 0.458 188 T N -2.161 112.482 114.554 0.148 0.000 2.971 188 T HA 0.194 4.543 4.350 -0.001 0.000 0.252 188 T C 1.866 176.715 174.700 0.248 0.000 1.022 188 T CA 0.137 62.349 62.100 0.187 0.000 0.980 188 T CB 0.360 69.440 68.868 0.354 0.000 1.044 188 T HN 0.025 nan 8.240 nan 0.000 0.501 189 R N 1.288 121.953 120.500 0.275 0.000 2.112 189 R HA 0.021 4.361 4.340 -0.001 0.000 0.242 189 R C 2.119 178.528 176.300 0.181 0.000 1.137 189 R CA 1.725 57.992 56.100 0.278 0.000 0.944 189 R CB -0.756 29.698 30.300 0.256 0.000 0.857 189 R HN 0.406 nan 8.270 nan 0.000 0.435 190 L N 0.328 121.650 121.223 0.165 0.000 2.376 190 L HA -0.087 4.253 4.340 -0.001 0.000 0.219 190 L C 2.707 179.597 176.870 0.033 0.000 1.133 190 L CA 0.941 55.896 54.840 0.192 0.000 0.816 190 L CB -0.409 41.809 42.059 0.265 0.000 0.933 190 L HN 0.507 nan 8.230 nan 0.000 0.449 191 Q N -0.494 119.256 119.800 -0.083 0.000 2.083 191 Q HA -0.199 4.141 4.340 -0.001 0.000 0.198 191 Q C 2.174 177.935 176.000 -0.399 0.000 0.969 191 Q CA 1.526 57.164 55.803 -0.275 0.000 0.838 191 Q CB 0.003 28.568 28.738 -0.289 0.000 0.900 191 Q HN 0.405 nan 8.270 nan 0.000 0.436 192 Y N -0.239 119.828 120.300 -0.389 0.000 2.200 192 Y HA -0.215 4.334 4.550 -0.001 0.000 0.290 192 Y C 2.333 177.782 175.900 -0.753 0.000 1.137 192 Y CA 1.098 58.746 58.100 -0.752 0.000 1.163 192 Y CB -0.329 37.364 38.460 -1.279 0.000 0.988 192 Y HN -0.053 nan 8.280 nan 0.000 0.518 193 V N 0.361 120.103 119.914 -0.287 0.000 2.255 193 V HA -0.353 3.766 4.120 -0.001 0.000 0.247 193 V C 2.401 178.499 176.094 0.006 0.000 1.051 193 V CA 2.328 64.600 62.300 -0.046 0.000 1.018 193 V CB -0.635 31.261 31.823 0.122 0.000 0.641 193 V HN 0.335 nan 8.190 nan 0.000 0.445 194 K N -0.128 120.133 120.400 -0.232 0.000 2.032 194 K HA -0.222 4.097 4.320 -0.001 0.000 0.209 194 K C 2.391 178.858 176.600 -0.222 0.000 1.048 194 K CA 1.742 57.729 56.287 -0.500 0.000 0.927 194 K CB -0.174 31.515 32.500 -1.352 0.000 0.712 194 K HN 0.329 nan 8.250 nan 0.000 0.441 195 R N -0.608 119.738 120.500 -0.257 0.000 2.066 195 R HA -0.124 4.216 4.340 -0.001 0.000 0.232 195 R C 2.358 178.603 176.300 -0.091 0.000 1.131 195 R CA 1.673 57.653 56.100 -0.199 0.000 0.955 195 R CB -0.463 29.689 30.300 -0.247 0.000 0.851 195 R HN 0.254 nan 8.270 nan 0.000 0.432 196 F N 0.583 120.435 119.950 -0.164 0.000 2.134 196 F HA -0.273 4.254 4.527 -0.001 0.000 0.299 196 F C 2.260 178.054 175.800 -0.011 0.000 1.097 196 F CA 1.417 59.393 58.000 -0.041 0.000 1.264 196 F CB -0.406 38.639 39.000 0.076 0.000 1.001 196 F HN 0.020 nan 8.300 nan 0.000 0.479 197 Y N 1.202 121.530 120.300 0.048 0.000 2.165 197 Y HA -0.264 4.286 4.550 -0.001 0.000 0.286 197 Y C 2.146 177.925 175.900 -0.202 0.000 1.155 197 Y CA 2.186 60.273 58.100 -0.022 0.000 1.164 197 Y CB -0.853 37.657 38.460 0.084 0.000 0.978 197 Y HN 0.053 nan 8.280 nan 0.000 0.513 198 D N 0.251 120.407 120.400 -0.407 0.000 2.144 198 D HA -0.142 4.498 4.640 -0.001 0.000 0.200 198 D C 2.312 178.303 176.300 -0.514 0.000 0.978 198 D CA 1.451 55.146 54.000 -0.508 0.000 0.833 198 D CB -0.545 40.089 40.800 -0.277 0.000 0.961 198 D HN 0.508 nan 8.370 nan 0.000 0.470 199 A N 0.795 123.354 122.820 -0.435 0.000 1.902 199 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 199 A C 2.477 179.765 177.584 -0.494 0.000 1.181 199 A CA 2.126 53.921 52.037 -0.402 0.000 0.623 199 A CB -0.731 18.069 19.000 -0.333 0.000 0.818 199 A HN 0.234 nan 8.150 nan 0.000 0.443 200 V N -1.560 117.946 119.914 -0.680 0.000 2.407 200 V HA -0.102 4.017 4.120 -0.001 0.000 0.245 200 V C 2.362 177.862 176.094 -0.990 0.000 1.041 200 V CA 2.174 64.061 62.300 -0.688 0.000 1.040 200 V CB -1.200 30.248 31.823 -0.626 0.000 0.671 200 V HN 0.657 nan 8.190 nan 0.000 0.455 201 S N 1.619 116.572 115.700 -1.244 0.000 2.481 201 S HA -0.105 4.364 4.470 -0.001 0.000 0.231 201 S C 1.723 175.619 174.600 -1.174 0.000 0.996 201 S CA 1.178 58.585 58.200 -1.321 0.000 0.942 201 S CB -0.942 61.593 63.200 -1.108 0.000 0.768 201 S HN 0.900 nan 8.310 nan 0.000 0.520 202 T N -2.534 111.451 114.554 -0.948 0.000 3.145 202 T HA 0.368 4.718 4.350 -0.001 0.000 0.255 202 T C 0.243 174.583 174.700 -0.600 0.000 1.039 202 T CA -0.475 61.120 62.100 -0.842 0.000 0.928 202 T CB -0.884 67.696 68.868 -0.481 0.000 1.029 202 T HN 0.282 nan 8.240 nan 0.000 0.554 203 F N 0.157 119.964 119.950 -0.238 0.000 2.884 203 F HA -0.193 4.334 4.527 -0.000 0.000 0.294 203 F C 1.161 176.921 175.800 -0.066 0.000 0.723 203 F CA 0.163 58.095 58.000 -0.113 0.000 1.294 203 F CB -2.457 36.518 39.000 -0.042 0.000 1.551 203 F HN 0.286 nan 8.300 nan 0.000 0.363 204 K N 0.104 120.505 120.400 0.003 0.000 2.155 204 K HA 0.222 4.541 4.320 -0.001 0.000 0.203 204 K C 0.728 177.384 176.600 0.093 0.000 1.052 204 K CA 1.214 57.518 56.287 0.028 0.000 0.948 204 K CB 0.430 32.896 32.500 -0.057 0.000 0.728 204 K HN 0.323 nan 8.250 nan 0.000 0.448 205 I N -0.034 120.551 120.570 0.026 0.000 2.545 205 I HA 0.152 4.321 4.170 -0.001 0.000 0.292 205 I C -0.710 175.430 176.117 0.037 0.000 1.040 205 I CA -0.653 60.673 61.300 0.043 0.000 1.068 205 I CB 2.328 40.302 38.000 -0.044 0.000 1.251 205 I HN -0.185 nan 8.210 nan 0.000 0.424 206 S N 5.535 121.279 115.700 0.073 0.000 2.482 206 S HA 0.771 5.240 4.470 -0.001 0.000 0.303 206 S C -0.635 174.035 174.600 0.116 0.000 1.091 206 S CA -0.465 57.814 58.200 0.131 0.000 1.057 206 S CB 1.344 64.625 63.200 0.136 0.000 1.031 206 S HN 0.291 nan 8.310 nan 0.000 0.485 207 L N 3.797 125.122 121.223 0.171 0.000 2.319 207 L HA 0.615 4.955 4.340 -0.001 0.000 0.267 207 L C -2.261 174.687 176.870 0.130 0.000 1.011 207 L CA -2.153 52.767 54.840 0.134 0.000 0.818 207 L CB 1.284 43.432 42.059 0.149 0.000 1.316 207 L HN 0.410 nan 8.230 nan 0.000 0.432 208 P HA 0.153 nan 4.420 nan 0.000 0.272 208 P C 0.367 177.698 177.300 0.051 0.000 1.230 208 P CA -0.331 62.820 63.100 0.086 0.000 0.788 208 P CB 0.483 32.222 31.700 0.066 0.000 0.949 209 T N 1.723 116.329 114.554 0.087 0.000 2.720 209 T HA -0.091 4.259 4.350 -0.001 0.000 0.268 209 T C -0.953 173.746 174.700 -0.003 0.000 1.037 209 T CA 2.156 64.282 62.100 0.043 0.000 1.144 209 T CB -1.735 67.230 68.868 0.161 0.000 0.864 209 T HN 0.521 nan 8.240 nan 0.000 0.444 210 P HA 0.038 nan 4.420 nan 0.000 0.218 210 P C 1.379 178.800 177.300 0.202 0.000 1.148 210 P CA 0.850 64.045 63.100 0.159 0.000 0.822 210 P CB -0.144 31.676 31.700 0.200 0.000 0.784 211 I N -1.868 118.736 120.570 0.057 0.000 2.233 211 I HA -0.195 3.974 4.170 -0.001 0.000 0.243 211 I C 2.349 178.398 176.117 -0.114 0.000 1.093 211 I CA 1.300 62.544 61.300 -0.094 0.000 1.380 211 I CB -0.527 37.410 38.000 -0.104 0.000 1.067 211 I HN -0.095 nan 8.210 nan 0.000 0.413 212 M N 0.495 119.967 119.600 -0.214 0.000 2.159 212 M HA -0.151 4.329 4.480 -0.001 0.000 0.263 212 M C 2.641 178.736 176.300 -0.342 0.000 1.063 212 M CA 2.006 57.042 55.300 -0.441 0.000 1.110 212 M CB -1.093 30.719 32.600 -1.313 0.000 1.374 212 M HN 0.368 nan 8.290 nan 0.000 0.411 213 S N -0.821 114.749 115.700 -0.217 0.000 2.395 213 S HA 0.031 4.501 4.470 -0.001 0.000 0.225 213 S C 1.952 176.613 174.600 0.101 0.000 1.027 213 S CA 1.020 59.207 58.200 -0.021 0.000 0.965 213 S CB -0.664 62.559 63.200 0.039 0.000 0.812 213 S HN 0.495 nan 8.310 nan 0.000 0.482 214 G N 0.812 109.719 108.800 0.177 0.000 2.673 214 G HA2 0.291 4.250 3.960 -0.001 0.000 0.208 214 G HA3 0.291 4.250 3.960 -0.001 0.000 0.208 214 G C 0.211 175.354 174.900 0.405 0.000 1.128 214 G CA -0.050 45.272 45.100 0.370 0.000 0.805 214 G HN 0.385 nan 8.290 nan 0.000 0.526 215 V N 2.640 122.632 119.914 0.131 0.000 2.403 215 V HA 0.325 4.444 4.120 -0.001 0.000 0.265 215 V C 1.138 177.275 176.094 0.070 0.000 1.034 215 V CA 1.234 63.534 62.300 -0.000 0.000 1.036 215 V CB 0.006 31.642 31.823 -0.312 0.000 1.032 215 V HN 0.775 nan 8.190 nan 0.000 0.478 216 R N 2.781 123.375 120.500 0.158 0.000 1.856 216 R HA -0.114 4.226 4.340 -0.001 0.000 0.332 216 R C 0.373 176.731 176.300 0.096 0.000 0.210 216 R CA 0.754 56.855 56.100 0.003 0.000 1.443 216 R CB -1.295 28.876 30.300 -0.216 0.000 1.736 216 R HN 0.702 nan 8.270 nan 0.000 0.192 217 T N -1.446 113.246 114.554 0.230 0.000 2.912 217 T HA 0.588 4.937 4.350 -0.001 0.000 0.280 217 T C -1.955 172.881 174.700 0.227 0.000 0.989 217 T CA -1.343 60.907 62.100 0.250 0.000 0.995 217 T CB 1.976 70.984 68.868 0.233 0.000 1.077 217 T HN -0.085 nan 8.240 nan 0.000 0.531 218 P HA 0.052 nan 4.420 nan 0.000 0.225 218 P C 0.748 178.070 177.300 0.036 0.000 1.148 218 P CA 0.641 63.800 63.100 0.098 0.000 0.779 218 P CB -0.164 31.571 31.700 0.057 0.000 0.780 219 T N 0.070 114.640 114.554 0.027 0.000 2.856 219 T HA 0.110 4.459 4.350 -0.001 0.000 0.306 219 T C 1.004 175.544 174.700 -0.267 0.000 1.062 219 T CA -0.049 61.979 62.100 -0.121 0.000 1.083 219 T CB 0.182 68.965 68.868 -0.142 0.000 0.984 219 T HN -0.122 nan 8.240 nan 0.000 0.542 220 R N 2.321 122.522 120.500 -0.498 0.000 2.600 220 R HA 0.180 4.519 4.340 -0.001 0.000 0.392 220 R C -0.239 175.438 176.300 -1.038 0.000 1.032 220 R CA -0.078 55.582 56.100 -0.732 0.000 1.139 220 R CB 0.461 30.517 30.300 -0.406 0.000 1.400 220 R HN 0.673 nan 8.270 nan 0.000 0.566 221 Q N 0.394 119.578 119.800 -1.026 0.000 2.377 221 Q HA 0.271 4.610 4.340 -0.001 0.000 0.249 221 Q C -0.364 175.180 176.000 -0.759 0.000 1.005 221 Q CA 0.032 55.431 55.803 -0.675 0.000 0.912 221 Q CB 0.500 29.031 28.738 -0.345 0.000 1.223 221 Q HN 0.041 nan 8.270 nan 0.000 0.459 222 F N -1.126 118.806 119.950 -0.031 0.000 2.856 222 F HA 0.184 4.710 4.527 -0.001 0.000 0.338 222 F C 0.473 176.272 175.800 -0.001 0.000 1.100 222 F CA -0.478 57.519 58.000 -0.005 0.000 1.150 222 F CB 0.893 39.897 39.000 0.008 0.000 1.101 222 F HN 0.171 nan 8.300 nan 0.000 0.548 223 S N 0.816 116.580 115.700 0.107 0.000 2.448 223 S HA 0.259 4.729 4.470 -0.001 0.000 0.279 223 S C 1.084 175.726 174.600 0.070 0.000 1.195 223 S CA 0.127 58.379 58.200 0.087 0.000 1.051 223 S CB 0.710 63.974 63.200 0.106 0.000 0.948 223 S HN 0.339 nan 8.310 nan 0.000 0.493 224 S N 0.723 116.446 115.700 0.039 0.000 2.603 224 S HA 0.197 4.667 4.470 -0.001 0.000 0.232 224 S C 0.225 174.816 174.600 -0.015 0.000 1.016 224 S CA -0.493 57.725 58.200 0.031 0.000 0.976 224 S CB 0.079 63.311 63.200 0.053 0.000 0.921 224 S HN 0.680 nan 8.310 nan 0.000 0.516 225 C N 1.999 121.261 119.300 -0.063 0.000 2.781 225 C HA 0.776 5.235 4.460 -0.001 0.000 0.348 225 C C -0.630 174.268 174.990 -0.153 0.000 1.051 225 C CA -0.361 58.608 59.018 -0.081 0.000 1.347 225 C CB 0.150 27.862 27.740 -0.047 0.000 1.846 225 C HN 0.633 nan 8.230 nan 0.000 0.473 226 V N 5.890 125.681 119.914 -0.205 0.000 2.680 226 V HA 0.880 5.000 4.120 -0.001 0.000 0.309 226 V C -1.465 174.527 176.094 -0.171 0.000 1.052 226 V CA -0.573 61.556 62.300 -0.284 0.000 0.908 226 V CB 1.809 33.260 31.823 -0.621 0.000 1.001 226 V HN 0.690 nan 8.190 nan 0.000 0.431 227 L N 6.608 127.742 121.223 -0.148 0.000 2.325 227 L HA 0.683 5.022 4.340 -0.001 0.000 0.281 227 L C -0.393 176.415 176.870 -0.104 0.000 1.004 227 L CA -0.087 54.683 54.840 -0.116 0.000 0.823 227 L CB 1.547 43.529 42.059 -0.127 0.000 1.236 227 L HN 0.640 nan 8.230 nan 0.000 0.415 228 I N 2.134 122.648 120.570 -0.094 0.000 2.466 228 I HA 0.399 4.568 4.170 -0.001 0.000 0.289 228 I C -0.306 175.756 176.117 -0.091 0.000 1.026 228 I CA -0.547 60.704 61.300 -0.083 0.000 1.078 228 I CB 2.173 40.123 38.000 -0.083 0.000 1.249 228 I HN 0.581 nan 8.210 nan 0.000 0.429 229 E N 5.451 125.609 120.200 -0.070 0.000 2.156 229 E HA 0.336 4.686 4.350 -0.001 0.000 0.279 229 E C -1.409 175.171 176.600 -0.035 0.000 0.965 229 E CA -0.593 55.776 56.400 -0.053 0.000 0.789 229 E CB 1.721 31.390 29.700 -0.052 0.000 1.098 229 E HN 0.708 nan 8.360 nan 0.000 0.397 230 C N 4.471 123.757 119.300 -0.022 0.000 2.330 230 C HA 0.745 5.204 4.460 -0.001 0.000 0.344 230 C C 0.794 175.810 174.990 0.043 0.000 1.273 230 C CA -0.164 58.869 59.018 0.025 0.000 1.879 230 C CB -0.523 27.259 27.740 0.070 0.000 2.376 230 C HN 0.847 nan 8.230 nan 0.000 0.534 231 G N 3.138 111.963 108.800 0.041 0.000 2.528 231 G HA2 0.294 4.253 3.960 -0.001 0.000 0.289 231 G HA3 0.294 4.253 3.960 -0.001 0.000 0.289 231 G C -0.236 174.681 174.900 0.028 0.000 1.192 231 G CA -0.125 44.983 45.100 0.012 0.000 0.921 231 G HN 0.792 nan 8.290 nan 0.000 0.512 232 D N -0.365 120.008 120.400 -0.046 0.000 2.934 232 D HA 0.289 4.928 4.640 -0.001 0.000 0.237 232 D C 0.410 176.597 176.300 -0.188 0.000 1.158 232 D CA -0.010 53.906 54.000 -0.140 0.000 0.971 232 D CB -0.515 40.119 40.800 -0.277 0.000 1.123 232 D HN 0.426 nan 8.370 nan 0.000 0.467 233 S N -1.074 114.707 115.700 0.134 0.000 2.570 233 S HA 0.309 4.778 4.470 -0.001 0.000 0.270 233 S C 1.000 175.760 174.600 0.267 0.000 1.149 233 S CA -0.909 57.467 58.200 0.293 0.000 0.837 233 S CB 0.931 64.200 63.200 0.115 0.000 1.124 233 S HN 0.056 nan 8.310 nan 0.000 0.465 234 L N 0.668 122.018 121.223 0.212 0.000 2.046 234 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 234 L C 1.861 178.752 176.870 0.036 0.000 1.077 234 L CA 1.541 56.377 54.840 -0.006 0.000 0.747 234 L CB -0.680 41.373 42.059 -0.010 0.000 0.896 234 L HN 0.703 nan 8.230 nan 0.000 0.432 235 D N -0.692 119.750 120.400 0.069 0.000 2.123 235 D HA -0.185 4.455 4.640 -0.001 0.000 0.196 235 D C 2.388 178.732 176.300 0.073 0.000 0.992 235 D CA 1.519 55.558 54.000 0.065 0.000 0.833 235 D CB -0.008 40.827 40.800 0.059 0.000 0.954 235 D HN 0.105 nan 8.370 nan 0.000 0.455 236 S N -0.633 115.114 115.700 0.078 0.000 2.377 236 S HA -0.011 4.459 4.470 -0.001 0.000 0.223 236 S C 2.102 176.777 174.600 0.125 0.000 1.030 236 S CA 0.191 58.442 58.200 0.085 0.000 0.970 236 S CB -0.167 63.076 63.200 0.071 0.000 0.830 236 S HN 0.138 nan 8.310 nan 0.000 0.473 237 I N 2.275 122.918 120.570 0.122 0.000 2.151 237 I HA -0.250 3.920 4.170 -0.001 0.000 0.243 237 I C 2.298 178.568 176.117 0.255 0.000 1.080 237 I CA 1.258 62.671 61.300 0.189 0.000 1.339 237 I CB -0.461 37.453 38.000 -0.144 0.000 1.039 237 I HN 0.312 nan 8.210 nan 0.000 0.409 238 N N 0.959 119.755 118.700 0.160 0.000 2.084 238 N HA -0.152 4.588 4.740 -0.001 0.000 0.190 238 N C 1.909 177.516 175.510 0.161 0.000 1.030 238 N CA 1.733 54.888 53.050 0.176 0.000 0.849 238 N CB -0.535 38.023 38.487 0.118 0.000 1.012 238 N HN 0.382 nan 8.380 nan 0.000 0.423 239 A N 0.537 123.431 122.820 0.123 0.000 1.883 239 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 239 A C 2.395 180.042 177.584 0.104 0.000 1.186 239 A CA 2.239 54.334 52.037 0.098 0.000 0.624 239 A CB -1.214 17.831 19.000 0.076 0.000 0.822 239 A HN 0.346 nan 8.150 nan 0.000 0.444 240 T N -0.472 114.154 114.554 0.120 0.000 2.684 240 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 240 T C 2.286 177.046 174.700 0.101 0.000 1.036 240 T CA 1.878 64.019 62.100 0.069 0.000 1.148 240 T CB -0.471 68.401 68.868 0.006 0.000 0.863 240 T HN 0.572 nan 8.240 nan 0.000 0.436 241 S N 0.637 116.487 115.700 0.249 0.000 2.370 241 S HA -0.149 4.320 4.470 -0.001 0.000 0.226 241 S C 2.364 177.032 174.600 0.113 0.000 1.033 241 S CA 1.813 60.144 58.200 0.218 0.000 1.011 241 S CB -0.549 62.787 63.200 0.227 0.000 0.852 241 S HN 0.436 nan 8.310 nan 0.000 0.457 242 S N 1.280 117.047 115.700 0.112 0.000 2.356 242 S HA 0.023 4.493 4.470 -0.001 0.000 0.223 242 S C 2.259 176.895 174.600 0.060 0.000 1.032 242 S CA 1.104 59.349 58.200 0.076 0.000 1.005 242 S CB -0.762 62.481 63.200 0.071 0.000 0.867 242 S HN 0.727 nan 8.310 nan 0.000 0.449 243 A N 1.376 124.241 122.820 0.076 0.000 1.902 243 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 243 A C 2.055 179.728 177.584 0.148 0.000 1.181 243 A CA 1.249 53.349 52.037 0.105 0.000 0.623 243 A CB -0.758 18.319 19.000 0.128 0.000 0.818 243 A HN 0.476 nan 8.150 nan 0.000 0.443 244 I N -0.545 120.087 120.570 0.103 0.000 2.099 244 I HA -0.263 3.907 4.170 -0.001 0.000 0.239 244 I C 2.394 178.567 176.117 0.092 0.000 1.066 244 I CA 1.494 62.850 61.300 0.093 0.000 1.324 244 I CB -0.482 37.544 38.000 0.045 0.000 1.037 244 I HN 0.165 nan 8.210 nan 0.000 0.401 245 V N 0.834 120.783 119.914 0.059 0.000 2.324 245 V HA -0.319 3.801 4.120 -0.001 0.000 0.250 245 V C 2.561 178.667 176.094 0.020 0.000 1.060 245 V CA 1.768 64.090 62.300 0.037 0.000 1.042 245 V CB -0.732 31.106 31.823 0.025 0.000 0.650 245 V HN 0.364 nan 8.190 nan 0.000 0.450 246 K N -1.020 119.377 120.400 -0.005 0.000 2.026 246 K HA -0.155 4.164 4.320 -0.001 0.000 0.208 246 K C 2.087 178.616 176.600 -0.119 0.000 1.048 246 K CA 1.743 57.974 56.287 -0.094 0.000 0.929 246 K CB -0.525 31.872 32.500 -0.172 0.000 0.713 246 K HN 0.520 nan 8.250 nan 0.000 0.439 247 Y N 0.852 121.151 120.300 -0.002 0.000 2.263 247 Y HA -0.148 4.401 4.550 -0.001 0.000 0.292 247 Y C 2.258 178.156 175.900 -0.004 0.000 1.130 247 Y CA 0.838 58.934 58.100 -0.006 0.000 1.179 247 Y CB -0.504 37.956 38.460 -0.001 0.000 0.998 247 Y HN -0.095 nan 8.280 nan 0.000 0.532 248 V N -1.871 118.132 119.914 0.149 0.000 2.759 248 V HA -0.152 3.968 4.120 -0.001 0.000 0.256 248 V C 2.000 178.128 176.094 0.057 0.000 1.080 248 V CA 1.733 64.087 62.300 0.091 0.000 1.101 248 V CB -1.135 30.728 31.823 0.068 0.000 0.698 248 V HN 0.440 nan 8.190 nan 0.000 0.477 249 S N 0.069 115.789 115.700 0.033 0.000 2.481 249 S HA -0.100 4.369 4.470 -0.001 0.000 0.231 249 S C 1.714 176.316 174.600 0.004 0.000 0.996 249 S CA 1.100 59.306 58.200 0.009 0.000 0.942 249 S CB -0.533 62.658 63.200 -0.013 0.000 0.768 249 S HN 0.778 nan 8.310 nan 0.000 0.520 250 Q N 0.325 120.136 119.800 0.019 0.000 2.220 250 Q HA 0.353 4.693 4.340 -0.001 0.000 0.205 250 Q C -0.195 175.837 176.000 0.053 0.000 0.865 250 Q CA -0.331 55.482 55.803 0.018 0.000 0.960 250 Q CB 0.161 28.905 28.738 0.009 0.000 1.097 250 Q HN 0.454 nan 8.270 nan 0.000 0.493 251 R N -0.966 119.570 120.500 0.060 0.000 3.878 251 R HA -0.169 4.170 4.340 -0.001 0.000 0.330 251 R C -0.335 176.008 176.300 0.072 0.000 1.186 251 R CA 0.457 56.594 56.100 0.062 0.000 0.885 251 R CB -2.112 28.220 30.300 0.053 0.000 1.377 251 R HN 0.276 nan 8.270 nan 0.000 0.523 252 A N 0.712 123.587 122.820 0.093 0.000 2.371 252 A HA 0.577 4.896 4.320 -0.001 0.000 0.257 252 A C 0.943 178.552 177.584 0.042 0.000 1.089 252 A CA 0.459 52.535 52.037 0.064 0.000 0.794 252 A CB 0.593 19.629 19.000 0.059 0.000 1.029 252 A HN 0.313 nan 8.150 nan 0.000 0.488 253 G N 0.544 109.355 108.800 0.019 0.000 2.444 253 G HA2 0.522 4.481 3.960 -0.001 0.000 0.268 253 G HA3 0.522 4.481 3.960 -0.001 0.000 0.268 253 G C -0.292 174.599 174.900 -0.014 0.000 1.203 253 G CA -0.425 44.685 45.100 0.016 0.000 0.835 253 G HN 0.568 nan 8.290 nan 0.000 0.543 254 I N 1.001 121.570 120.570 -0.003 0.000 2.509 254 I HA 0.470 4.639 4.170 -0.001 0.000 0.293 254 I C 0.544 176.668 176.117 0.013 0.000 1.020 254 I CA -0.711 60.576 61.300 -0.022 0.000 1.088 254 I CB 1.452 39.438 38.000 -0.023 0.000 1.267 254 I HN 0.544 nan 8.210 nan 0.000 0.430 255 G N 6.335 115.150 108.800 0.024 0.000 2.368 255 G HA2 0.722 4.682 3.960 -0.001 0.000 0.320 255 G HA3 0.722 4.682 3.960 -0.001 0.000 0.320 255 G C -0.752 174.196 174.900 0.079 0.000 1.158 255 G CA -0.367 44.821 45.100 0.146 0.000 0.912 255 G HN 0.487 nan 8.290 nan 0.000 0.456 256 I N 2.215 122.861 120.570 0.126 0.000 2.389 256 I HA 0.209 4.378 4.170 -0.001 0.000 0.288 256 I C -0.547 175.649 176.117 0.132 0.000 0.999 256 I CA -1.008 60.281 61.300 -0.018 0.000 1.129 256 I CB 2.056 39.923 38.000 -0.222 0.000 1.288 256 I HN 0.316 nan 8.210 nan 0.000 0.444 257 N N 5.377 124.115 118.700 0.064 0.000 2.439 257 N HA 0.469 5.209 4.740 -0.001 0.000 0.249 257 N C -0.041 175.533 175.510 0.107 0.000 1.003 257 N CA -0.207 52.929 53.050 0.144 0.000 0.942 257 N CB 1.651 40.176 38.487 0.064 0.000 1.115 257 N HN 0.744 nan 8.380 nan 0.000 0.505 258 A N 2.251 125.182 122.820 0.185 0.000 2.589 258 A HA 0.345 4.665 4.320 -0.001 0.000 0.283 258 A C 1.423 179.208 177.584 0.336 0.000 1.187 258 A CA 0.023 52.210 52.037 0.250 0.000 0.957 258 A CB -0.163 18.996 19.000 0.264 0.000 1.175 258 A HN 0.623 nan 8.150 nan 0.000 0.532 259 G N -0.104 108.905 108.800 0.349 0.000 2.598 259 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.215 259 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.215 259 G C 1.411 176.473 174.900 0.269 0.000 1.131 259 G CA 0.376 45.711 45.100 0.392 0.000 0.785 259 G HN 0.500 nan 8.290 nan 0.000 0.539 260 R N -0.577 119.946 120.500 0.038 0.000 2.246 260 R HA 0.230 4.569 4.340 -0.001 0.000 0.199 260 R C 0.469 176.788 176.300 0.032 0.000 0.984 260 R CA -0.259 55.733 56.100 -0.179 0.000 1.015 260 R CB 0.040 30.157 30.300 -0.304 0.000 0.930 260 R HN 0.318 nan 8.270 nan 0.000 0.475 261 I N 3.347 124.031 120.570 0.190 0.000 2.618 261 I HA -0.062 4.108 4.170 -0.001 0.000 0.284 261 I C 0.875 177.173 176.117 0.302 0.000 1.146 261 I CA 0.083 61.538 61.300 0.257 0.000 1.425 261 I CB 0.363 38.599 38.000 0.393 0.000 1.383 261 I HN 0.152 nan 8.210 nan 0.000 0.562 262 R N 6.077 126.677 120.500 0.167 0.000 2.679 262 R HA 0.596 4.936 4.340 -0.001 0.000 0.269 262 R C -0.173 176.256 176.300 0.215 0.000 1.076 262 R CA -0.700 55.468 56.100 0.113 0.000 1.160 262 R CB 0.511 30.784 30.300 -0.045 0.000 1.054 262 R HN 0.610 nan 8.270 nan 0.000 0.507 263 A N 2.578 125.468 122.820 0.117 0.000 2.366 263 A HA 0.225 4.544 4.320 -0.001 0.000 0.249 263 A C -0.028 177.618 177.584 0.104 0.000 1.084 263 A CA -0.743 51.378 52.037 0.140 0.000 0.794 263 A CB 0.277 19.297 19.000 0.033 0.000 1.034 263 A HN 0.740 nan 8.150 nan 0.000 0.491 264 L N 1.396 122.670 121.223 0.085 0.000 2.615 264 L HA 0.367 4.707 4.340 -0.001 0.000 0.284 264 L C 1.272 178.168 176.870 0.042 0.000 1.237 264 L CA 2.268 57.145 54.840 0.062 0.000 0.905 264 L CB -0.109 41.963 42.059 0.022 0.000 1.149 264 L HN 1.702 nan 8.230 nan 0.000 0.499 265 G N 2.178 111.014 108.800 0.060 0.000 2.176 265 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.232 265 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.232 265 G C 0.400 175.206 174.900 -0.155 0.000 0.986 265 G CA 0.151 45.266 45.100 0.024 0.000 0.643 265 G HN 0.887 nan 8.290 nan 0.000 0.522 266 S N 3.048 118.635 115.700 -0.189 0.000 2.549 266 S HA 0.517 4.987 4.470 -0.001 0.000 0.279 266 S C -1.154 173.175 174.600 -0.451 0.000 1.321 266 S CA -0.563 57.504 58.200 -0.223 0.000 1.054 266 S CB 1.340 64.482 63.200 -0.097 0.000 0.899 266 S HN 0.387 nan 8.310 nan 0.000 0.497 275 H N 1.966 121.191 119.070 0.258 0.000 2.387 275 H HA -0.080 4.475 4.556 -0.001 0.000 0.299 275 H C 2.072 177.441 175.328 0.067 0.000 1.090 275 H CA 2.486 58.611 56.048 0.129 0.000 1.332 275 H CB 0.216 30.027 29.762 0.082 0.000 1.386 275 H HN 0.399 nan 8.280 nan 0.000 0.516 276 T N -2.385 112.272 114.554 0.172 0.000 3.129 276 T HA 0.366 4.715 4.350 -0.001 0.000 0.251 276 T C 0.976 175.660 174.700 -0.027 0.000 1.117 276 T CA 0.521 62.634 62.100 0.021 0.000 1.034 276 T CB 0.312 69.123 68.868 -0.095 0.000 0.968 276 T HN 0.613 nan 8.240 nan 0.000 0.526 277 G N -0.496 108.339 108.800 0.058 0.000 2.525 277 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.685 277 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.685 277 G C 0.581 175.519 174.900 0.063 0.000 1.290 277 G CA -0.593 44.538 45.100 0.052 0.000 0.915 277 G HN 0.233 nan 8.290 nan 0.000 0.548 278 C N -0.278 119.018 119.300 -0.007 0.000 2.446 278 C HA 0.052 4.512 4.460 -0.001 0.000 0.277 278 C C 3.061 177.854 174.990 -0.329 0.000 1.275 278 C CA 1.513 60.461 59.018 -0.117 0.000 1.727 278 C CB -1.555 25.902 27.740 -0.472 0.000 2.010 278 C HN 0.543 nan 8.230 nan 0.000 0.486 279 I N 1.491 121.817 120.570 -0.406 0.000 2.163 279 I HA -0.173 3.996 4.170 -0.001 0.000 0.243 279 I C -0.600 175.416 176.117 -0.168 0.000 1.085 279 I CA 1.792 62.886 61.300 -0.343 0.000 1.347 279 I CB -1.593 36.250 38.000 -0.261 0.000 1.044 279 I HN 0.251 nan 8.210 nan 0.000 0.408 280 P HA -0.121 nan 4.420 nan 0.000 0.220 280 P C 1.485 178.599 177.300 -0.310 0.000 1.148 280 P CA 1.369 64.283 63.100 -0.310 0.000 0.803 280 P CB -0.065 31.348 31.700 -0.478 0.000 0.782 281 F N -2.295 117.596 119.950 -0.099 0.000 2.186 281 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 281 F C 2.206 177.876 175.800 -0.217 0.000 1.090 281 F CA 0.991 58.868 58.000 -0.205 0.000 1.307 281 F CB -1.678 37.216 39.000 -0.178 0.000 1.019 281 F HN -0.093 nan 8.300 nan 0.000 0.489 282 Y N 0.659 120.976 120.300 0.030 0.000 2.207 282 Y HA -0.203 4.346 4.550 -0.001 0.000 0.287 282 Y C 2.327 178.317 175.900 0.151 0.000 1.156 282 Y CA 0.818 59.028 58.100 0.183 0.000 1.182 282 Y CB -1.183 37.419 38.460 0.236 0.000 0.979 282 Y HN 0.051 nan 8.280 nan 0.000 0.521 283 K N -1.227 119.317 120.400 0.240 0.000 2.097 283 K HA -0.209 4.111 4.320 -0.001 0.000 0.206 283 K C 1.982 178.685 176.600 0.171 0.000 1.049 283 K CA 1.483 57.874 56.287 0.173 0.000 0.933 283 K CB -0.255 32.296 32.500 0.086 0.000 0.717 283 K HN 0.276 nan 8.250 nan 0.000 0.442 284 H N -0.604 118.469 119.070 0.005 0.000 2.428 284 H HA -0.046 4.509 4.556 -0.001 0.000 0.296 284 H C 1.362 176.744 175.328 0.091 0.000 1.062 284 H CA 1.435 57.479 56.048 -0.006 0.000 1.350 284 H CB 0.050 29.767 29.762 -0.074 0.000 1.403 284 H HN 0.058 nan 8.280 nan 0.000 0.533 285 F N 0.662 120.691 119.950 0.132 0.000 2.186 285 F HA -0.112 4.415 4.527 -0.001 0.000 0.299 285 F C 2.773 178.582 175.800 0.014 0.000 1.090 285 F CA 1.377 59.395 58.000 0.031 0.000 1.307 285 F CB -1.002 38.037 39.000 0.064 0.000 1.019 285 F HN 0.310 nan 8.300 nan 0.000 0.489 286 Q N 0.347 120.293 119.800 0.243 0.000 2.061 286 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 286 Q C 2.161 178.228 176.000 0.112 0.000 0.984 286 Q CA 2.749 58.654 55.803 0.169 0.000 0.846 286 Q CB -0.220 28.634 28.738 0.192 0.000 0.902 286 Q HN 0.503 nan 8.270 nan 0.000 0.421 287 T N -2.081 112.525 114.554 0.087 0.000 2.915 287 T HA 0.047 4.397 4.350 -0.001 0.000 0.269 287 T C 1.807 176.516 174.700 0.016 0.000 1.071 287 T CA 0.876 63.007 62.100 0.051 0.000 1.132 287 T CB -0.331 68.574 68.868 0.062 0.000 0.878 287 T HN 0.358 nan 8.240 nan 0.000 0.479 288 A N 1.315 124.126 122.820 -0.015 0.000 1.873 288 A HA 0.084 4.403 4.320 -0.001 0.000 0.215 288 A C 2.600 180.204 177.584 0.035 0.000 1.186 288 A CA 1.505 53.536 52.037 -0.010 0.000 0.616 288 A CB -1.070 17.928 19.000 -0.004 0.000 0.823 288 A HN 0.407 nan 8.150 nan 0.000 0.442 289 V N 0.163 120.111 119.914 0.057 0.000 2.515 289 V HA -0.155 3.965 4.120 -0.001 0.000 0.250 289 V C 1.989 178.111 176.094 0.047 0.000 1.058 289 V CA 1.934 64.267 62.300 0.055 0.000 1.064 289 V CB -0.467 31.393 31.823 0.062 0.000 0.675 289 V HN 0.375 nan 8.190 nan 0.000 0.461 290 K N 0.419 120.845 120.400 0.043 0.000 2.404 290 K HA 0.140 4.460 4.320 -0.001 0.000 0.194 290 K C 2.147 178.759 176.600 0.020 0.000 1.023 290 K CA 0.847 57.150 56.287 0.028 0.000 1.094 290 K CB -0.012 32.498 32.500 0.018 0.000 0.841 290 K HN 0.657 nan 8.250 nan 0.000 0.523 291 S N -0.556 115.159 115.700 0.024 0.000 2.419 291 S HA -0.133 4.336 4.470 -0.001 0.000 0.233 291 S C 1.571 176.181 174.600 0.017 0.000 1.016 291 S CA 0.719 58.931 58.200 0.020 0.000 0.974 291 S CB -0.410 62.801 63.200 0.019 0.000 0.786 291 S HN 0.245 nan 8.310 nan 0.000 0.492 292 C N 2.298 121.610 119.300 0.019 0.000 2.638 292 C HA 0.571 5.030 4.460 -0.001 0.000 0.282 292 C C 0.461 175.460 174.990 0.016 0.000 1.473 292 C CA -0.940 58.087 59.018 0.016 0.000 1.781 292 C CB -1.497 26.253 27.740 0.017 0.000 2.780 292 C HN 0.392 nan 8.230 nan 0.000 0.531 293 S N 0.519 116.227 115.700 0.013 0.000 2.454 293 S HA 0.262 4.731 4.470 -0.001 0.000 0.306 293 S C 0.785 175.387 174.600 0.003 0.000 1.100 293 S CA -0.401 57.804 58.200 0.009 0.000 1.087 293 S CB 1.661 64.865 63.200 0.005 0.000 1.019 293 S HN 0.641 nan 8.310 nan 0.000 0.480 294 Q N 2.834 122.637 119.800 0.005 0.000 2.190 294 Q HA -0.288 4.052 4.340 -0.001 0.000 0.220 294 Q C 1.055 177.054 176.000 -0.001 0.000 1.080 294 Q CA 2.351 58.156 55.803 0.004 0.000 0.946 294 Q CB -0.498 28.243 28.738 0.005 0.000 1.070 294 Q HN 0.914 nan 8.270 nan 0.000 0.468 295 G N -2.268 106.527 108.800 -0.009 0.000 4.547 295 G HA2 0.441 4.401 3.960 -0.001 0.000 0.301 295 G HA3 0.441 4.401 3.960 -0.001 0.000 0.301 295 G C 0.310 175.195 174.900 -0.025 0.000 1.240 295 G CA 0.250 45.343 45.100 -0.013 0.000 0.970 295 G HN 0.832 nan 8.290 nan 0.000 0.574 296 G N -0.805 107.981 108.800 -0.023 0.000 2.249 296 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.273 296 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.273 296 G C 0.775 175.628 174.900 -0.079 0.000 1.036 296 G CA 1.222 46.302 45.100 -0.033 0.000 0.824 296 G HN 1.494 nan 8.290 nan 0.000 0.504 297 V N -5.097 114.767 119.914 -0.083 0.000 3.474 297 V HA 0.434 4.553 4.120 -0.001 0.000 0.195 297 V C 1.145 177.203 176.094 -0.060 0.000 1.431 297 V CA 0.350 62.566 62.300 -0.141 0.000 1.268 297 V CB -0.173 31.519 31.823 -0.219 0.000 1.195 297 V HN 0.206 nan 8.190 nan 0.000 0.542 298 R N 2.245 122.729 120.500 -0.027 0.000 2.343 298 R HA 0.501 4.841 4.340 -0.001 0.000 0.326 298 R C 0.548 176.859 176.300 0.018 0.000 1.055 298 R CA 1.233 57.336 56.100 0.006 0.000 0.961 298 R CB -0.044 30.262 30.300 0.010 0.000 0.978 298 R HN 1.040 nan 8.270 nan 0.000 0.443 299 G N 1.486 110.307 108.800 0.034 0.000 2.663 299 G HA2 0.155 4.114 3.960 -0.001 0.000 0.686 299 G HA3 0.155 4.114 3.960 -0.001 0.000 0.686 299 G C -0.160 174.767 174.900 0.044 0.000 1.288 299 G CA -0.571 44.555 45.100 0.043 0.000 0.836 299 G HN 0.994 nan 8.290 nan 0.000 0.584 300 G N -1.451 107.380 108.800 0.051 0.000 3.429 300 G HA2 0.538 4.498 3.960 -0.001 0.000 0.605 300 G HA3 0.538 4.498 3.960 -0.001 0.000 0.605 300 G C 0.177 175.114 174.900 0.062 0.000 0.973 300 G CA 0.921 46.053 45.100 0.052 0.000 0.774 300 G HN 2.766 nan 8.290 nan 0.000 0.422 301 A N 1.542 124.399 122.820 0.063 0.000 2.422 301 A HA 1.184 5.503 4.320 -0.001 0.000 0.302 301 A C 0.140 177.754 177.584 0.050 0.000 1.041 301 A CA 0.217 52.296 52.037 0.070 0.000 0.708 301 A CB 1.848 20.904 19.000 0.093 0.000 1.257 301 A HN 2.691 nan 8.150 nan 0.000 0.414 302 A N 0.891 123.731 122.820 0.033 0.000 2.572 302 A HA 0.875 5.195 4.320 -0.001 0.000 0.295 302 A C -0.560 176.991 177.584 -0.054 0.000 1.072 302 A CA -0.459 51.575 52.037 -0.006 0.000 0.691 302 A CB 1.463 20.447 19.000 -0.027 0.000 1.291 302 A HN 0.929 nan 8.150 nan 0.000 0.404 303 T N 1.731 116.248 114.554 -0.061 0.000 2.812 303 T HA 0.572 4.922 4.350 -0.001 0.000 0.282 303 T C -0.780 173.744 174.700 -0.294 0.000 0.990 303 T CA -0.185 61.797 62.100 -0.195 0.000 0.960 303 T CB 0.983 69.806 68.868 -0.074 0.000 0.948 303 T HN 0.627 nan 8.240 nan 0.000 0.438 304 L N 3.686 124.619 121.223 -0.484 0.000 2.329 304 L HA 0.758 5.097 4.340 -0.001 0.000 0.279 304 L C -1.561 175.113 176.870 -0.327 0.000 1.014 304 L CA -0.799 53.870 54.840 -0.286 0.000 0.814 304 L CB 0.794 42.696 42.059 -0.263 0.000 1.257 304 L HN 0.535 nan 8.230 nan 0.000 0.424 305 F N 4.245 124.224 119.950 0.048 0.000 2.508 305 F HA 0.604 5.131 4.527 0.000 0.000 0.325 305 F C -0.576 175.326 175.800 0.169 0.000 1.090 305 F CA -0.438 57.585 58.000 0.037 0.000 0.945 305 F CB 1.606 40.642 39.000 0.060 0.000 1.156 305 F HN 0.373 nan 8.300 nan 0.000 0.463 306 Y N 0.541 121.040 120.300 0.332 0.000 2.609 306 Y HA 0.741 5.290 4.550 -0.001 0.000 0.336 306 Y C -3.463 172.533 175.900 0.161 0.000 1.129 306 Y CA -3.839 54.405 58.100 0.240 0.000 1.040 306 Y CB 0.698 39.232 38.460 0.123 0.000 1.310 306 Y HN 0.221 nan 8.280 nan 0.000 0.460 307 P HA 0.154 nan 4.420 nan 0.000 0.275 307 P C 0.734 177.939 177.300 -0.158 0.000 1.228 307 P CA -0.432 62.538 63.100 -0.216 0.000 0.786 307 P CB 1.003 31.979 31.700 -1.207 0.000 0.927 308 M N 3.014 122.531 119.600 -0.139 0.000 2.358 308 M HA -0.067 4.412 4.480 -0.001 0.000 0.264 308 M C 0.678 176.983 176.300 0.010 0.000 1.064 308 M CA 1.673 56.950 55.300 -0.038 0.000 1.093 308 M CB -0.241 32.299 32.600 -0.100 0.000 1.401 308 M HN 0.453 nan 8.290 nan 0.000 0.440 309 W N -0.745 120.571 121.300 0.027 0.000 3.353 309 W HA 0.172 4.832 4.660 -0.000 0.000 0.304 309 W C 0.118 176.716 176.519 0.133 0.000 1.273 309 W CA -0.523 56.873 57.345 0.085 0.000 1.773 309 W CB -1.461 28.097 29.460 0.163 0.000 1.095 309 W HN 0.095 nan 8.180 nan 0.000 0.676 310 H N 2.550 121.531 119.070 -0.148 0.000 3.034 310 H HA -0.077 4.478 4.556 -0.001 0.000 0.324 310 H C 1.189 176.532 175.328 0.025 0.000 1.015 310 H CA 0.636 56.635 56.048 -0.081 0.000 1.429 310 H CB 1.630 31.305 29.762 -0.144 0.000 1.429 310 H HN 0.050 nan 8.280 nan 0.000 0.585 311 L N 4.880 126.058 121.223 -0.076 0.000 2.089 311 L HA -0.204 4.135 4.340 -0.001 0.000 0.213 311 L C 1.740 178.648 176.870 0.063 0.000 1.079 311 L CA 1.907 56.744 54.840 -0.004 0.000 0.758 311 L CB -0.329 41.696 42.059 -0.058 0.000 0.891 311 L HN 0.721 nan 8.230 nan 0.000 0.433 312 E N -1.432 118.895 120.200 0.211 0.000 2.476 312 E HA -0.070 4.279 4.350 -0.001 0.000 0.191 312 E C 2.116 178.670 176.600 -0.078 0.000 1.064 312 E CA 0.329 56.759 56.400 0.050 0.000 0.866 312 E CB 0.043 29.744 29.700 0.002 0.000 0.952 312 E HN 0.400 nan 8.360 nan 0.000 0.492 313 V N 1.596 121.485 119.914 -0.041 0.000 2.370 313 V HA -0.338 3.782 4.120 -0.001 0.000 0.252 313 V C 1.791 177.815 176.094 -0.117 0.000 1.068 313 V CA 2.111 64.340 62.300 -0.118 0.000 1.061 313 V CB -0.105 31.723 31.823 0.009 0.000 0.656 313 V HN 0.293 nan 8.190 nan 0.000 0.455 314 E N -0.573 119.580 120.200 -0.078 0.000 2.150 314 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 314 E C 2.354 178.894 176.600 -0.101 0.000 0.985 314 E CA 1.383 57.741 56.400 -0.071 0.000 0.814 314 E CB -0.170 29.501 29.700 -0.048 0.000 0.752 314 E HN 0.603 nan 8.360 nan 0.000 0.466 315 S N 0.926 116.549 115.700 -0.129 0.000 2.371 315 S HA -0.049 4.421 4.470 -0.001 0.000 0.224 315 S C 2.023 176.488 174.600 -0.225 0.000 1.029 315 S CA 0.635 58.741 58.200 -0.157 0.000 0.978 315 S CB -0.081 63.023 63.200 -0.160 0.000 0.833 315 S HN 0.177 nan 8.310 nan 0.000 0.466 316 L N 0.882 121.914 121.223 -0.319 0.000 2.056 316 L HA -0.077 4.263 4.340 -0.001 0.000 0.207 316 L C 2.165 178.843 176.870 -0.320 0.000 1.078 316 L CA 0.642 55.208 54.840 -0.458 0.000 0.749 316 L CB -0.662 40.858 42.059 -0.898 0.000 0.901 316 L HN 0.265 nan 8.230 nan 0.000 0.433 317 L N 0.184 121.308 121.223 -0.165 0.000 2.129 317 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 317 L C 2.262 179.072 176.870 -0.101 0.000 1.087 317 L CA 1.746 56.551 54.840 -0.059 0.000 0.757 317 L CB -0.821 41.223 42.059 -0.026 0.000 0.896 317 L HN 0.294 nan 8.230 nan 0.000 0.434 318 V N -5.144 114.695 119.914 -0.124 0.000 3.542 318 V HA 0.101 4.221 4.120 -0.001 0.000 0.296 318 V C 1.986 178.013 176.094 -0.112 0.000 1.364 318 V CA 0.086 62.328 62.300 -0.098 0.000 1.118 318 V CB -0.444 31.334 31.823 -0.075 0.000 0.972 318 V HN 0.228 nan 8.190 nan 0.000 0.430 319 L N 1.084 122.198 121.223 -0.181 0.000 2.187 319 L HA -0.123 4.217 4.340 -0.001 0.000 0.213 319 L C 2.586 179.428 176.870 -0.046 0.000 1.100 319 L CA 2.126 56.874 54.840 -0.153 0.000 0.765 319 L CB -0.366 41.518 42.059 -0.292 0.000 0.904 319 L HN 0.519 nan 8.230 nan 0.000 0.437 320 K N -1.281 119.106 120.400 -0.023 0.000 2.374 320 K HA 0.062 4.381 4.320 -0.001 0.000 0.196 320 K C 0.598 177.182 176.600 -0.026 0.000 1.023 320 K CA -0.292 55.999 56.287 0.006 0.000 1.103 320 K CB -0.214 32.320 32.500 0.057 0.000 0.848 320 K HN 0.089 nan 8.250 nan 0.000 0.528 321 N N 3.453 122.133 118.700 -0.033 0.000 2.411 321 N HA -0.077 4.662 4.740 -0.001 0.000 0.261 321 N C 0.502 175.994 175.510 -0.030 0.000 1.248 321 N CA 0.213 53.245 53.050 -0.031 0.000 0.885 321 N CB 0.613 39.079 38.487 -0.035 0.000 1.062 321 N HN 0.265 nan 8.380 nan 0.000 0.471 322 N N 4.578 123.264 118.700 -0.024 0.000 2.069 322 N HA -0.168 4.571 4.740 -0.001 0.000 0.191 322 N C 0.201 175.702 175.510 -0.015 0.000 1.031 322 N CA 1.301 54.339 53.050 -0.019 0.000 0.852 322 N CB -0.289 38.191 38.487 -0.013 0.000 1.018 322 N HN 0.524 nan 8.380 nan 0.000 0.423 323 R N 0.546 121.037 120.500 -0.016 0.000 2.615 323 R HA 0.512 4.852 4.340 -0.001 0.000 0.270 323 R C 0.690 176.978 176.300 -0.019 0.000 1.081 323 R CA 0.333 56.424 56.100 -0.015 0.000 1.154 323 R CB 0.487 30.779 30.300 -0.014 0.000 1.063 323 R HN 0.443 nan 8.270 nan 0.000 0.519 324 G N -0.314 108.476 108.800 -0.018 0.000 2.423 324 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.684 324 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.684 324 G C -1.238 173.650 174.900 -0.019 0.000 1.309 324 G CA -0.586 44.501 45.100 -0.022 0.000 0.950 324 G HN 0.527 nan 8.290 nan 0.000 0.587 325 V N 0.458 120.359 119.914 -0.023 0.000 2.614 325 V HA 0.510 4.630 4.120 -0.001 0.000 0.291 325 V C 1.756 177.839 176.094 -0.019 0.000 1.049 325 V CA 1.346 63.633 62.300 -0.021 0.000 1.038 325 V CB 1.450 33.258 31.823 -0.025 0.000 0.980 325 V HN 1.187 nan 8.190 nan 0.000 0.481 326 E N 4.761 124.955 120.200 -0.011 0.000 2.171 326 E HA -0.091 4.259 4.350 -0.001 0.000 0.197 326 E C 1.830 178.425 176.600 -0.009 0.000 0.997 326 E CA 2.128 58.527 56.400 -0.002 0.000 0.810 326 E CB -0.667 29.037 29.700 0.006 0.000 0.738 326 E HN 0.942 nan 8.360 nan 0.000 0.467 327 G N -0.304 108.483 108.800 -0.022 0.000 2.471 327 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.219 327 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.219 327 G C 1.163 176.034 174.900 -0.047 0.000 1.125 327 G CA 0.733 45.811 45.100 -0.036 0.000 0.775 327 G HN 0.340 nan 8.290 nan 0.000 0.548 328 N N -0.098 118.575 118.700 -0.045 0.000 2.276 328 N HA 0.139 4.878 4.740 -0.001 0.000 0.212 328 N C -0.268 175.210 175.510 -0.054 0.000 1.127 328 N CA -0.232 52.782 53.050 -0.060 0.000 0.834 328 N CB 0.486 38.936 38.487 -0.060 0.000 1.014 328 N HN -0.017 nan 8.380 nan 0.000 0.491 329 R N 0.894 121.378 120.500 -0.027 0.000 2.628 329 R HA 0.425 4.764 4.340 -0.001 0.000 0.288 329 R C -1.161 175.161 176.300 0.037 0.000 0.980 329 R CA -0.594 55.500 56.100 -0.009 0.000 0.891 329 R CB 2.230 32.524 30.300 -0.011 0.000 1.188 329 R HN -0.223 nan 8.270 nan 0.000 0.450 330 V N 4.384 124.344 119.914 0.076 0.000 2.454 330 V HA 0.335 4.454 4.120 -0.001 0.000 0.267 330 V C 0.946 177.152 176.094 0.186 0.000 0.993 330 V CA -0.434 61.971 62.300 0.174 0.000 0.836 330 V CB 1.253 33.257 31.823 0.302 0.000 1.055 330 V HN 0.672 nan 8.190 nan 0.000 0.452 331 R N 0.396 120.911 120.500 0.024 0.000 2.254 331 R HA 0.188 4.527 4.340 -0.001 0.000 0.195 331 R C 0.788 176.924 176.300 -0.272 0.000 0.957 331 R CA 0.420 56.424 56.100 -0.161 0.000 1.024 331 R CB 0.278 30.371 30.300 -0.345 0.000 0.952 331 R HN 0.670 nan 8.270 nan 0.000 0.484 332 H N -0.514 118.622 119.070 0.110 0.000 2.488 332 H HA 0.318 4.873 4.556 -0.002 0.000 0.294 332 H C 0.041 175.394 175.328 0.041 0.000 1.088 332 H CA 0.171 56.262 56.048 0.073 0.000 1.086 332 H CB 0.292 30.093 29.762 0.066 0.000 1.569 332 H HN 0.026 nan 8.280 nan 0.000 0.548 333 M N 0.440 120.069 119.600 0.049 0.000 2.644 333 M HA 0.255 4.735 4.480 -0.001 0.000 0.304 333 M C -0.563 175.544 176.300 -0.321 0.000 1.215 333 M CA -0.869 54.348 55.300 -0.138 0.000 0.871 333 M CB 2.474 34.926 32.600 -0.245 0.000 1.740 333 M HN -0.058 nan 8.290 nan 0.000 0.464 334 D N 0.237 120.426 120.400 -0.351 0.000 2.388 334 D HA 0.514 5.154 4.640 -0.001 0.000 0.254 334 D C -1.434 174.379 176.300 -0.812 0.000 1.111 334 D CA 0.198 53.966 54.000 -0.387 0.000 0.993 334 D CB 0.984 41.757 40.800 -0.045 0.000 1.118 334 D HN 0.319 nan 8.370 nan 0.000 0.502 335 Y N -1.215 118.929 120.300 -0.259 0.000 2.477 335 Y HA 0.525 5.074 4.550 -0.001 0.000 0.347 335 Y C 0.628 176.292 175.900 -0.393 0.000 0.981 335 Y CA -1.100 56.827 58.100 -0.288 0.000 1.033 335 Y CB 2.480 40.892 38.460 -0.081 0.000 1.245 335 Y HN 0.335 nan 8.280 nan 0.000 0.455 336 G N 1.623 110.127 108.800 -0.493 0.000 2.502 336 G HA2 0.537 4.497 3.960 -0.001 0.000 0.311 336 G HA3 0.537 4.497 3.960 -0.001 0.000 0.311 336 G C -1.477 173.250 174.900 -0.289 0.000 1.270 336 G CA -0.650 44.265 45.100 -0.308 0.000 0.948 336 G HN 0.440 nan 8.290 nan 0.000 0.487 337 V N 2.838 122.638 119.914 -0.191 0.000 2.461 337 V HA 0.249 4.368 4.120 -0.001 0.000 0.275 337 V C 0.232 176.328 176.094 0.002 0.000 1.047 337 V CA -0.440 61.713 62.300 -0.245 0.000 0.955 337 V CB 1.066 32.807 31.823 -0.136 0.000 0.988 337 V HN 0.735 nan 8.190 nan 0.000 0.471 338 Q N 4.825 124.663 119.800 0.063 0.000 2.278 338 Q HA 0.709 5.049 4.340 -0.001 0.000 0.257 338 Q C -0.924 175.213 176.000 0.229 0.000 0.928 338 Q CA -0.183 55.733 55.803 0.190 0.000 0.932 338 Q CB 1.957 30.897 28.738 0.337 0.000 1.221 338 Q HN 0.665 nan 8.270 nan 0.000 0.434 339 I N 1.973 122.602 120.570 0.098 0.000 2.769 339 I HA 0.444 4.613 4.170 -0.001 0.000 0.298 339 I C -0.618 175.446 176.117 -0.088 0.000 1.128 339 I CA -1.116 60.200 61.300 0.027 0.000 1.031 339 I CB 2.043 39.952 38.000 -0.152 0.000 1.235 339 I HN 0.655 nan 8.210 nan 0.000 0.423 340 N N 3.546 122.182 118.700 -0.106 0.000 2.761 340 N HA 0.328 5.067 4.740 -0.001 0.000 0.283 340 N C 0.170 175.650 175.510 -0.050 0.000 1.377 340 N CA -1.034 51.923 53.050 -0.154 0.000 0.791 340 N CB 1.315 39.556 38.487 -0.410 0.000 1.540 340 N HN 0.582 nan 8.380 nan 0.000 0.539 341 K N -0.356 120.032 120.400 -0.020 0.000 2.074 341 K HA -0.064 4.255 4.320 -0.001 0.000 0.209 341 K C 1.722 178.334 176.600 0.018 0.000 1.048 341 K CA 1.196 57.472 56.287 -0.018 0.000 0.926 341 K CB -0.283 32.272 32.500 0.091 0.000 0.713 341 K HN 0.539 nan 8.250 nan 0.000 0.444 342 L N 0.551 121.788 121.223 0.024 0.000 2.042 342 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 342 L C 2.328 179.225 176.870 0.045 0.000 1.076 342 L CA 1.213 56.084 54.840 0.053 0.000 0.749 342 L CB -0.186 41.933 42.059 0.101 0.000 0.893 342 L HN 0.311 nan 8.230 nan 0.000 0.432 343 M N -1.114 118.496 119.600 0.018 0.000 2.065 343 M HA -0.265 4.215 4.480 -0.001 0.000 0.259 343 M C 2.375 178.743 176.300 0.113 0.000 1.069 343 M CA 1.941 57.277 55.300 0.060 0.000 1.110 343 M CB -1.480 31.107 32.600 -0.021 0.000 1.328 343 M HN 0.255 nan 8.290 nan 0.000 0.405 344 Y N 0.956 121.294 120.300 0.064 0.000 2.165 344 Y HA -0.176 4.374 4.550 -0.001 0.000 0.286 344 Y C 2.799 178.605 175.900 -0.157 0.000 1.155 344 Y CA 1.798 59.802 58.100 -0.160 0.000 1.164 344 Y CB -1.592 36.648 38.460 -0.368 0.000 0.978 344 Y HN 0.302 nan 8.280 nan 0.000 0.513 345 T N 0.209 114.802 114.554 0.065 0.000 2.720 345 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 345 T C 2.019 176.742 174.700 0.038 0.000 1.037 345 T CA 1.318 63.440 62.100 0.037 0.000 1.144 345 T CB -0.116 68.779 68.868 0.045 0.000 0.864 345 T HN 0.190 nan 8.240 nan 0.000 0.444 346 R N 0.737 121.277 120.500 0.067 0.000 2.081 346 R HA 0.027 4.366 4.340 -0.001 0.000 0.235 346 R C 2.398 178.728 176.300 0.051 0.000 1.131 346 R CA 0.845 56.995 56.100 0.083 0.000 0.960 346 R CB -1.353 29.028 30.300 0.136 0.000 0.856 346 R HN 0.351 nan 8.270 nan 0.000 0.436 347 L N 1.213 122.438 121.223 0.003 0.000 1.989 347 L HA -0.139 4.200 4.340 -0.001 0.000 0.211 347 L C 2.229 179.050 176.870 -0.083 0.000 1.071 347 L CA 1.686 56.459 54.840 -0.112 0.000 0.749 347 L CB -0.659 41.090 42.059 -0.515 0.000 0.890 347 L HN 0.083 nan 8.230 nan 0.000 0.431 348 L N -0.654 120.523 121.223 -0.076 0.000 2.079 348 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 348 L C 2.318 179.177 176.870 -0.018 0.000 1.081 348 L CA 1.484 56.296 54.840 -0.047 0.000 0.752 348 L CB -0.653 41.383 42.059 -0.038 0.000 0.896 348 L HN 0.292 nan 8.230 nan 0.000 0.433 349 K N 0.054 120.453 120.400 -0.002 0.000 2.487 349 K HA 0.092 4.412 4.320 -0.001 0.000 0.192 349 K C 1.115 177.725 176.600 0.015 0.000 1.027 349 K CA 0.520 56.813 56.287 0.011 0.000 1.054 349 K CB 0.160 32.673 32.500 0.022 0.000 0.824 349 K HN 0.402 nan 8.250 nan 0.000 0.510 350 G N 2.358 111.165 108.800 0.012 0.000 2.225 350 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.267 350 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.267 350 G C -0.187 174.733 174.900 0.033 0.000 1.024 350 G CA 0.577 45.689 45.100 0.020 0.000 0.784 350 G HN 0.417 nan 8.290 nan 0.000 0.507 351 E N -0.534 119.692 120.200 0.044 0.000 2.790 351 E HA 0.476 4.826 4.350 -0.001 0.000 0.256 351 E C -0.502 176.140 176.600 0.070 0.000 1.246 351 E CA -0.896 55.536 56.400 0.053 0.000 1.041 351 E CB 0.538 30.273 29.700 0.059 0.000 1.272 351 E HN 0.166 nan 8.360 nan 0.000 0.603 352 D N 0.219 120.662 120.400 0.071 0.000 2.193 352 D HA 0.363 5.003 4.640 -0.001 0.000 0.249 352 D C -0.660 175.710 176.300 0.116 0.000 1.034 352 D CA -0.255 53.789 54.000 0.074 0.000 0.902 352 D CB 1.000 41.825 40.800 0.041 0.000 1.182 352 D HN 0.185 nan 8.370 nan 0.000 0.436 353 I N 0.998 121.642 120.570 0.124 0.000 2.392 353 I HA 0.183 4.353 4.170 -0.001 0.000 0.295 353 I C 0.247 176.431 176.117 0.112 0.000 0.985 353 I CA -0.321 61.088 61.300 0.182 0.000 1.221 353 I CB 1.593 39.701 38.000 0.181 0.000 1.366 353 I HN 0.066 nan 8.210 nan 0.000 0.467 354 T N 7.155 121.787 114.554 0.129 0.000 2.767 354 T HA 0.507 4.856 4.350 -0.001 0.000 0.288 354 T C -0.123 174.435 174.700 -0.237 0.000 0.963 354 T CA -0.479 61.500 62.100 -0.202 0.000 1.019 354 T CB 0.604 69.171 68.868 -0.501 0.000 0.923 354 T HN 0.253 nan 8.240 nan 0.000 0.468 355 L N 3.895 124.932 121.223 -0.310 0.000 2.307 355 L HA 0.634 4.973 4.340 -0.001 0.000 0.282 355 L C -0.843 175.807 176.870 -0.367 0.000 1.051 355 L CA -0.687 54.075 54.840 -0.130 0.000 0.804 355 L CB 0.582 42.617 42.059 -0.038 0.000 1.197 355 L HN 0.536 nan 8.230 nan 0.000 0.431 356 F N 0.109 120.193 119.950 0.222 0.000 2.576 356 F HA 0.318 4.844 4.527 -0.000 0.000 0.313 356 F C 0.464 176.304 175.800 0.067 0.000 1.078 356 F CA -0.685 57.389 58.000 0.122 0.000 0.921 356 F CB 2.141 41.208 39.000 0.111 0.000 1.232 356 F HN 0.301 nan 8.300 nan 0.000 0.459 357 S N 2.741 118.526 115.700 0.142 0.000 2.531 357 S HA 0.212 4.682 4.470 -0.001 0.000 0.279 357 S C -1.700 172.959 174.600 0.099 0.000 1.305 357 S CA -1.169 57.009 58.200 -0.037 0.000 1.058 357 S CB 0.869 64.042 63.200 -0.044 0.000 0.899 357 S HN 0.352 nan 8.310 nan 0.000 0.493 358 P HA -0.094 nan 4.420 nan 0.000 0.221 358 P C 1.321 178.659 177.300 0.064 0.000 1.145 358 P CA 0.982 64.215 63.100 0.222 0.000 0.795 358 P CB -0.051 31.748 31.700 0.165 0.000 0.775 359 S N -1.667 114.022 115.700 -0.017 0.000 2.428 359 S HA -0.081 4.388 4.470 -0.001 0.000 0.230 359 S C 1.380 175.923 174.600 -0.094 0.000 1.014 359 S CA 0.971 59.127 58.200 -0.072 0.000 0.957 359 S CB -0.765 62.371 63.200 -0.107 0.000 0.784 359 S HN 0.093 nan 8.310 nan 0.000 0.499 360 D N 1.520 121.861 120.400 -0.099 0.000 2.339 360 D HA 0.133 4.772 4.640 -0.001 0.000 0.217 360 D C 0.359 176.439 176.300 -0.367 0.000 1.050 360 D CA 0.369 54.267 54.000 -0.169 0.000 0.856 360 D CB 0.892 41.632 40.800 -0.101 0.000 0.922 360 D HN 0.505 nan 8.370 nan 0.000 0.518 361 V N -0.989 118.690 119.914 -0.391 0.000 2.315 361 V HA 0.425 4.545 4.120 -0.001 0.000 0.265 361 V C -2.917 172.954 176.094 -0.371 0.000 1.019 361 V CA -2.304 59.540 62.300 -0.760 0.000 0.824 361 V CB 1.000 32.337 31.823 -0.810 0.000 1.072 361 V HN -0.289 nan 8.190 nan 0.000 0.448 362 P HA 0.246 nan 4.420 nan 0.000 0.261 362 P C 1.333 178.711 177.300 0.130 0.000 1.183 362 P CA 2.046 65.135 63.100 -0.019 0.000 0.761 362 P CB 0.776 32.477 31.700 0.001 0.000 0.785 363 G N 2.710 111.593 108.800 0.139 0.000 2.257 363 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.267 363 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.267 363 G C 0.866 175.897 174.900 0.219 0.000 0.984 363 G CA 0.241 45.444 45.100 0.172 0.000 0.626 363 G HN 0.539 nan 8.290 nan 0.000 0.540 364 L N -0.816 120.536 121.223 0.215 0.000 2.027 364 L HA 0.025 4.364 4.340 -0.001 0.000 0.206 364 L C 2.401 179.522 176.870 0.418 0.000 1.074 364 L CA 2.666 57.604 54.840 0.163 0.000 0.745 364 L CB -0.581 41.422 42.059 -0.094 0.000 0.898 364 L HN 0.464 nan 8.230 nan 0.000 0.433 365 Y N 1.251 121.821 120.300 0.451 0.000 2.097 365 Y HA -0.330 4.219 4.550 -0.001 0.000 0.282 365 Y C 2.377 178.682 175.900 0.676 0.000 1.152 365 Y CA 2.175 60.691 58.100 0.694 0.000 1.136 365 Y CB -0.211 38.598 38.460 0.583 0.000 0.975 365 Y HN 0.281 nan 8.280 nan 0.000 0.498 366 D N -0.008 120.752 120.400 0.601 0.000 2.116 366 D HA -0.225 4.415 4.640 -0.001 0.000 0.193 366 D C 2.243 178.767 176.300 0.374 0.000 0.998 366 D CA 1.672 55.942 54.000 0.450 0.000 0.836 366 D CB -0.668 40.321 40.800 0.315 0.000 0.951 366 D HN 0.489 nan 8.370 nan 0.000 0.449 367 A N 0.138 123.168 122.820 0.350 0.000 1.969 367 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 367 A C 2.021 179.791 177.584 0.310 0.000 1.169 367 A CA 0.685 52.908 52.037 0.310 0.000 0.635 367 A CB -0.877 18.302 19.000 0.299 0.000 0.810 367 A HN 0.208 nan 8.150 nan 0.000 0.445 368 F N 0.088 120.107 119.950 0.114 0.000 2.120 368 F HA -0.214 4.312 4.527 -0.001 0.000 0.300 368 F C 1.674 177.140 175.800 -0.555 0.000 1.095 368 F CA 1.665 59.384 58.000 -0.468 0.000 1.249 368 F CB -0.497 38.208 39.000 -0.492 0.000 0.995 368 F HN 0.261 nan 8.300 nan 0.000 0.480 369 F N -0.863 119.014 119.950 -0.122 0.000 2.374 369 F HA 0.242 4.768 4.527 -0.001 0.000 0.291 369 F C 2.381 178.118 175.800 -0.106 0.000 1.084 369 F CA 0.834 58.706 58.000 -0.213 0.000 1.413 369 F CB -1.146 37.761 39.000 -0.155 0.000 1.099 369 F HN -0.046 nan 8.300 nan 0.000 0.534 370 A N -1.855 121.059 122.820 0.156 0.000 2.095 370 A HA 0.103 4.422 4.320 -0.001 0.000 0.212 370 A C -0.016 177.612 177.584 0.073 0.000 1.162 370 A CA 0.881 52.984 52.037 0.110 0.000 0.753 370 A CB 0.099 19.173 19.000 0.125 0.000 0.840 370 A HN 0.195 nan 8.150 nan 0.000 0.468 371 D N -1.222 119.223 120.400 0.075 0.000 2.362 371 D HA 0.144 4.783 4.640 -0.001 0.000 0.232 371 D C 0.264 176.623 176.300 0.098 0.000 1.329 371 D CA -0.245 53.800 54.000 0.075 0.000 0.944 371 D CB 0.576 41.426 40.800 0.083 0.000 1.471 371 D HN -0.071 nan 8.370 nan 0.000 0.533 372 Q N 1.046 120.885 119.800 0.064 0.000 2.170 372 Q HA -0.104 4.236 4.340 -0.001 0.000 0.203 372 Q C 1.220 177.303 176.000 0.138 0.000 0.976 372 Q CA 1.184 57.040 55.803 0.088 0.000 0.858 372 Q CB 0.323 29.083 28.738 0.036 0.000 0.907 372 Q HN 0.549 nan 8.270 nan 0.000 0.433 373 E N 0.583 120.836 120.200 0.088 0.000 2.072 373 E HA -0.165 4.185 4.350 -0.001 0.000 0.190 373 E C 1.901 178.536 176.600 0.059 0.000 0.982 373 E CA 0.951 57.390 56.400 0.067 0.000 0.803 373 E CB -0.136 29.587 29.700 0.038 0.000 0.755 373 E HN 0.376 nan 8.360 nan 0.000 0.453 374 E N 0.517 120.758 120.200 0.067 0.000 2.110 374 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 374 E C 1.836 178.469 176.600 0.054 0.000 0.988 374 E CA 0.728 57.155 56.400 0.046 0.000 0.804 374 E CB -0.459 29.277 29.700 0.059 0.000 0.745 374 E HN 0.230 nan 8.360 nan 0.000 0.458 375 F N 1.236 121.182 119.950 -0.006 0.000 2.134 375 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 375 F C 2.221 178.007 175.800 -0.022 0.000 1.097 375 F CA 2.112 60.105 58.000 -0.013 0.000 1.264 375 F CB -0.235 38.772 39.000 0.011 0.000 1.001 375 F HN 0.121 nan 8.300 nan 0.000 0.479 376 E N 0.047 120.303 120.200 0.092 0.000 2.077 376 E HA -0.265 4.084 4.350 -0.001 0.000 0.193 376 E C 2.507 179.054 176.600 -0.088 0.000 0.989 376 E CA 1.222 57.633 56.400 0.019 0.000 0.800 376 E CB -0.234 29.515 29.700 0.082 0.000 0.746 376 E HN 0.390 nan 8.360 nan 0.000 0.452 377 R N 0.215 120.654 120.500 -0.101 0.000 2.066 377 R HA -0.116 4.223 4.340 -0.001 0.000 0.232 377 R C 2.467 178.592 176.300 -0.292 0.000 1.131 377 R CA 1.273 57.283 56.100 -0.150 0.000 0.955 377 R CB -0.250 29.984 30.300 -0.111 0.000 0.851 377 R HN 0.235 nan 8.270 nan 0.000 0.432 378 L N -0.411 120.590 121.223 -0.369 0.000 2.083 378 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 378 L C 2.406 178.805 176.870 -0.785 0.000 1.083 378 L CA 1.326 55.769 54.840 -0.663 0.000 0.752 378 L CB -0.558 41.225 42.059 -0.460 0.000 0.899 378 L HN 0.285 nan 8.230 nan 0.000 0.433 379 Y N 1.044 120.906 120.300 -0.730 0.000 2.163 379 Y HA -0.259 4.290 4.550 -0.001 0.000 0.288 379 Y C 2.939 178.644 175.900 -0.325 0.000 1.136 379 Y CA 2.046 59.757 58.100 -0.649 0.000 1.147 379 Y CB -0.327 37.590 38.460 -0.905 0.000 0.987 379 Y HN 0.273 nan 8.280 nan 0.000 0.509 380 T N -1.823 112.616 114.554 -0.191 0.000 2.857 380 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 380 T C 1.969 176.553 174.700 -0.193 0.000 1.048 380 T CA 1.326 63.342 62.100 -0.140 0.000 1.139 380 T CB -0.412 68.421 68.868 -0.058 0.000 0.874 380 T HN 0.263 nan 8.240 nan 0.000 0.455 381 K N 0.199 120.424 120.400 -0.291 0.000 1.987 381 K HA -0.200 4.120 4.320 -0.001 0.000 0.216 381 K C 2.125 178.587 176.600 -0.229 0.000 1.051 381 K CA 1.899 57.999 56.287 -0.312 0.000 0.942 381 K CB -0.443 31.757 32.500 -0.500 0.000 0.722 381 K HN 0.368 nan 8.250 nan 0.000 0.444 382 Y N 1.419 121.557 120.300 -0.270 0.000 2.256 382 Y HA -0.139 4.410 4.550 -0.001 0.000 0.288 382 Y C 2.130 177.986 175.900 -0.073 0.000 1.155 382 Y CA 1.075 58.991 58.100 -0.306 0.000 1.203 382 Y CB -0.535 37.482 38.460 -0.738 0.000 0.980 382 Y HN 0.308 nan 8.280 nan 0.000 0.530 383 E N -0.223 120.017 120.200 0.067 0.000 2.204 383 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 383 E C 1.769 178.377 176.600 0.014 0.000 0.990 383 E CA 1.114 57.543 56.400 0.049 0.000 0.821 383 E CB -0.002 29.623 29.700 -0.125 0.000 0.750 383 E HN 0.211 nan 8.360 nan 0.000 0.477 384 K N 0.624 121.020 120.400 -0.006 0.000 2.323 384 K HA -0.003 4.316 4.320 -0.001 0.000 0.197 384 K C 0.127 176.732 176.600 0.008 0.000 1.043 384 K CA 0.215 56.496 56.287 -0.010 0.000 0.997 384 K CB 0.237 32.719 32.500 -0.030 0.000 0.807 384 K HN -0.069 nan 8.250 nan 0.000 0.497 385 D N 1.409 121.828 120.400 0.033 0.000 2.359 385 D HA -0.033 4.606 4.640 -0.001 0.000 0.250 385 D C -0.374 175.949 176.300 0.038 0.000 1.264 385 D CA -0.059 53.965 54.000 0.039 0.000 0.911 385 D CB 0.637 41.481 40.800 0.072 0.000 1.056 385 D HN 0.178 nan 8.370 nan 0.000 0.499 386 D N 0.659 121.070 120.400 0.018 0.000 2.363 386 D HA -0.133 4.506 4.640 -0.001 0.000 0.226 386 D C 1.628 177.932 176.300 0.008 0.000 1.020 386 D CA 0.411 54.418 54.000 0.011 0.000 0.892 386 D CB 0.078 40.879 40.800 0.001 0.000 0.900 386 D HN 0.252 nan 8.370 nan 0.000 0.531 387 S N 0.246 115.950 115.700 0.007 0.000 2.461 387 S HA -0.010 4.459 4.470 -0.001 0.000 0.228 387 S C 0.967 175.563 174.600 -0.007 0.000 1.005 387 S CA -0.234 57.964 58.200 -0.003 0.000 0.942 387 S CB -0.310 62.885 63.200 -0.008 0.000 0.776 387 S HN 0.128 nan 8.310 nan 0.000 0.514 388 I N 3.164 123.737 120.570 0.005 0.000 2.471 388 I HA 0.251 4.420 4.170 -0.001 0.000 0.286 388 I C 0.842 176.988 176.117 0.048 0.000 1.079 388 I CA -0.163 61.142 61.300 0.009 0.000 1.398 388 I CB 0.324 38.339 38.000 0.024 0.000 1.403 388 I HN 0.325 nan 8.210 nan 0.000 0.530 389 R N 7.390 127.907 120.500 0.030 0.000 2.522 389 R HA 0.174 4.513 4.340 -0.001 0.000 0.284 389 R C -0.356 175.974 176.300 0.051 0.000 1.032 389 R CA 0.283 56.397 56.100 0.024 0.000 1.049 389 R CB 0.507 30.807 30.300 0.001 0.000 0.956 389 R HN 0.862 nan 8.270 nan 0.000 0.422 390 K N 2.145 122.520 120.400 -0.041 0.000 2.607 390 K HA 0.258 4.577 4.320 -0.001 0.000 0.287 390 K C -1.789 174.703 176.600 -0.181 0.000 0.996 390 K CA -1.094 55.075 56.287 -0.197 0.000 0.876 390 K CB 1.622 33.940 32.500 -0.304 0.000 1.496 390 K HN 0.490 nan 8.250 nan 0.000 0.415 391 Q N 1.238 120.892 119.800 -0.244 0.000 2.345 391 Q HA 0.345 4.684 4.340 -0.001 0.000 0.275 391 Q C -1.309 174.592 176.000 -0.164 0.000 1.063 391 Q CA -0.912 54.797 55.803 -0.155 0.000 0.819 391 Q CB 2.174 30.853 28.738 -0.098 0.000 1.356 391 Q HN 0.615 nan 8.270 nan 0.000 0.418 392 R N 1.305 121.741 120.500 -0.107 0.000 2.407 392 R HA 0.555 4.895 4.340 -0.001 0.000 0.303 392 R C -0.217 176.062 176.300 -0.035 0.000 0.981 392 R CA -0.429 55.627 56.100 -0.073 0.000 0.905 392 R CB 1.347 31.614 30.300 -0.055 0.000 1.099 392 R HN 0.486 nan 8.270 nan 0.000 0.459 393 V N -0.848 119.061 119.914 -0.008 0.000 2.925 393 V HA 0.498 4.618 4.120 -0.001 0.000 0.311 393 V C -0.416 175.701 176.094 0.037 0.000 1.104 393 V CA -1.484 60.823 62.300 0.011 0.000 0.954 393 V CB 2.133 33.963 31.823 0.012 0.000 1.022 393 V HN 0.444 nan 8.190 nan 0.000 0.427 394 K N 2.449 122.873 120.400 0.040 0.000 2.447 394 K HA 0.524 4.843 4.320 -0.001 0.000 0.281 394 K C 1.264 177.922 176.600 0.097 0.000 1.031 394 K CA 0.805 57.128 56.287 0.059 0.000 1.019 394 K CB 1.026 33.554 32.500 0.048 0.000 0.918 394 K HN 0.958 nan 8.250 nan 0.000 0.476 395 A N 3.477 126.375 122.820 0.130 0.000 1.940 395 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 395 A C 1.931 179.684 177.584 0.281 0.000 1.176 395 A CA 1.855 54.032 52.037 0.233 0.000 0.631 395 A CB -0.542 18.593 19.000 0.226 0.000 0.814 395 A HN 0.519 nan 8.150 nan 0.000 0.446 396 V N 0.037 120.042 119.914 0.153 0.000 2.287 396 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 396 V C 2.403 178.579 176.094 0.137 0.000 1.053 396 V CA 2.397 64.770 62.300 0.122 0.000 1.027 396 V CB -0.933 30.927 31.823 0.062 0.000 0.646 396 V HN 0.646 nan 8.190 nan 0.000 0.447 397 E N -0.325 119.936 120.200 0.102 0.000 2.072 397 E HA -0.195 4.154 4.350 -0.001 0.000 0.191 397 E C 2.142 178.787 176.600 0.074 0.000 0.985 397 E CA 1.141 57.584 56.400 0.072 0.000 0.801 397 E CB -0.207 29.520 29.700 0.045 0.000 0.750 397 E HN 0.397 nan 8.360 nan 0.000 0.452 398 L N 0.245 121.518 121.223 0.082 0.000 1.994 398 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 398 L C 2.013 178.889 176.870 0.009 0.000 1.071 398 L CA 1.660 56.515 54.840 0.026 0.000 0.745 398 L CB -0.486 41.570 42.059 -0.005 0.000 0.892 398 L HN 0.030 nan 8.230 nan 0.000 0.431 399 F N -0.626 119.335 119.950 0.019 0.000 2.134 399 F HA -0.214 4.312 4.527 -0.001 0.000 0.299 399 F C 2.608 178.423 175.800 0.025 0.000 1.097 399 F CA 1.715 59.728 58.000 0.023 0.000 1.264 399 F CB -0.631 38.385 39.000 0.027 0.000 1.001 399 F HN 0.050 nan 8.300 nan 0.000 0.479 400 S N 0.170 115.990 115.700 0.200 0.000 2.368 400 S HA -0.182 4.288 4.470 -0.001 0.000 0.225 400 S C 1.939 176.576 174.600 0.061 0.000 1.030 400 S CA 1.165 59.429 58.200 0.107 0.000 0.999 400 S CB -0.612 62.631 63.200 0.072 0.000 0.844 400 S HN 0.274 nan 8.310 nan 0.000 0.459 401 L N 1.823 123.073 121.223 0.045 0.000 2.017 401 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 401 L C 2.250 179.127 176.870 0.011 0.000 1.073 401 L CA 1.828 56.677 54.840 0.015 0.000 0.745 401 L CB -0.675 41.385 42.059 0.001 0.000 0.894 401 L HN 0.349 nan 8.230 nan 0.000 0.432 402 M N -1.511 118.095 119.600 0.010 0.000 2.080 402 M HA -0.261 4.219 4.480 -0.001 0.000 0.260 402 M C 2.009 178.332 176.300 0.039 0.000 1.068 402 M CA 2.010 57.315 55.300 0.009 0.000 1.109 402 M CB -0.059 32.521 32.600 -0.034 0.000 1.342 402 M HN 0.298 nan 8.290 nan 0.000 0.405 403 M N 0.013 119.654 119.600 0.070 0.000 2.229 403 M HA -0.186 4.293 4.480 -0.001 0.000 0.264 403 M C 2.150 178.462 176.300 0.021 0.000 1.063 403 M CA 1.615 56.957 55.300 0.069 0.000 1.114 403 M CB -1.651 31.004 32.600 0.093 0.000 1.387 403 M HN 0.549 nan 8.290 nan 0.000 0.420 404 Q N 0.463 120.269 119.800 0.010 0.000 2.079 404 Q HA -0.178 4.162 4.340 -0.001 0.000 0.200 404 Q C 1.584 177.578 176.000 -0.010 0.000 0.974 404 Q CA 1.289 57.086 55.803 -0.011 0.000 0.840 404 Q CB 0.125 28.857 28.738 -0.010 0.000 0.898 404 Q HN 0.363 nan 8.270 nan 0.000 0.430 405 E N 0.846 121.043 120.200 -0.004 0.000 2.072 405 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 405 E C 2.009 178.607 176.600 -0.003 0.000 0.985 405 E CA 1.047 57.441 56.400 -0.009 0.000 0.801 405 E CB -0.323 29.369 29.700 -0.014 0.000 0.750 405 E HN 0.404 nan 8.360 nan 0.000 0.452 406 R N 0.904 121.412 120.500 0.012 0.000 2.096 406 R HA -0.159 4.180 4.340 -0.001 0.000 0.240 406 R C 2.203 178.526 176.300 0.038 0.000 1.139 406 R CA 1.802 57.921 56.100 0.031 0.000 0.952 406 R CB -0.255 30.090 30.300 0.076 0.000 0.854 406 R HN 0.135 nan 8.270 nan 0.000 0.436 407 A N 0.319 123.151 122.820 0.020 0.000 1.902 407 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 407 A C 2.210 179.797 177.584 0.005 0.000 1.181 407 A CA 1.910 53.952 52.037 0.007 0.000 0.623 407 A CB -0.636 18.334 19.000 -0.050 0.000 0.818 407 A HN 0.640 nan 8.150 nan 0.000 0.443 408 S N -0.778 114.918 115.700 -0.006 0.000 2.436 408 S HA -0.107 4.363 4.470 -0.001 0.000 0.228 408 S C 1.803 176.400 174.600 -0.007 0.000 1.014 408 S CA 1.681 59.875 58.200 -0.010 0.000 0.950 408 S CB -0.830 62.360 63.200 -0.016 0.000 0.784 408 S HN 0.786 nan 8.310 nan 0.000 0.504 409 T N -3.084 111.467 114.554 -0.006 0.000 3.023 409 T HA 0.481 4.831 4.350 -0.001 0.000 0.249 409 T C 1.774 176.470 174.700 -0.007 0.000 1.050 409 T CA 0.867 62.961 62.100 -0.010 0.000 1.088 409 T CB -0.343 68.516 68.868 -0.015 0.000 0.946 409 T HN 1.108 nan 8.240 nan 0.000 0.480 410 G N 2.565 111.374 108.800 0.015 0.000 2.184 410 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.264 410 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.264 410 G C 0.801 175.751 174.900 0.084 0.000 0.975 410 G CA 0.324 45.457 45.100 0.056 0.000 0.642 410 G HN 0.630 nan 8.290 nan 0.000 0.536 411 R N -0.436 120.028 120.500 -0.060 0.000 2.616 411 R HA 0.349 4.688 4.340 -0.001 0.000 0.427 411 R C -0.037 175.874 176.300 -0.648 0.000 1.030 411 R CA -0.331 55.566 56.100 -0.338 0.000 1.133 411 R CB 0.677 30.902 30.300 -0.124 0.000 1.444 411 R HN 0.340 nan 8.270 nan 0.000 0.578 412 I N 2.175 122.525 120.570 -0.366 0.000 2.312 412 I HA 0.302 4.472 4.170 -0.001 0.000 0.290 412 I C -0.122 175.879 176.117 -0.193 0.000 1.008 412 I CA -1.284 59.857 61.300 -0.265 0.000 1.226 412 I CB 0.047 38.013 38.000 -0.056 0.000 1.371 412 I HN -0.056 nan 8.210 nan 0.000 0.468 413 Y N 6.314 126.660 120.300 0.077 0.000 2.519 413 Y HA 0.626 5.176 4.550 0.000 0.000 0.324 413 Y C 0.229 176.191 175.900 0.103 0.000 1.214 413 Y CA -1.383 56.781 58.100 0.108 0.000 1.260 413 Y CB 0.971 39.504 38.460 0.122 0.000 1.311 413 Y HN 0.298 nan 8.280 nan 0.000 0.505 414 I N 0.781 121.565 120.570 0.356 0.000 2.545 414 I HA 0.327 4.496 4.170 -0.001 0.000 0.292 414 I C -0.788 175.502 176.117 0.289 0.000 1.040 414 I CA -0.611 60.855 61.300 0.276 0.000 1.068 414 I CB 2.039 40.214 38.000 0.291 0.000 1.251 414 I HN 0.489 nan 8.210 nan 0.000 0.424 415 Q N 5.277 125.234 119.800 0.261 0.000 2.327 415 Q HA 0.413 4.753 4.340 -0.001 0.000 0.270 415 Q C -1.283 174.824 176.000 0.178 0.000 1.022 415 Q CA -0.749 55.192 55.803 0.231 0.000 0.773 415 Q CB 1.169 30.054 28.738 0.244 0.000 1.251 415 Q HN 0.510 nan 8.270 nan 0.000 0.457 416 N N 4.249 123.067 118.700 0.196 0.000 2.508 416 N HA 0.018 4.757 4.740 -0.001 0.000 0.253 416 N C 1.062 176.590 175.510 0.029 0.000 1.145 416 N CA 0.115 53.260 53.050 0.159 0.000 0.973 416 N CB 1.369 40.008 38.487 0.253 0.000 1.305 416 N HN 0.572 nan 8.380 nan 0.000 0.506 417 V N -0.332 119.511 119.914 -0.120 0.000 2.667 417 V HA -0.177 3.942 4.120 -0.001 0.000 0.252 417 V C 1.600 177.585 176.094 -0.182 0.000 1.065 417 V CA 1.401 63.593 62.300 -0.180 0.000 1.083 417 V CB -0.321 31.208 31.823 -0.490 0.000 0.692 417 V HN 0.367 nan 8.190 nan 0.000 0.468 418 D N 0.076 120.339 120.400 -0.229 0.000 2.097 418 D HA -0.250 4.390 4.640 -0.001 0.000 0.197 418 D C 1.961 178.281 176.300 0.034 0.000 0.984 418 D CA 2.129 56.054 54.000 -0.124 0.000 0.826 418 D CB -0.942 39.787 40.800 -0.118 0.000 0.973 418 D HN 0.516 nan 8.370 nan 0.000 0.460 419 H N 0.195 119.269 119.070 0.007 0.000 2.387 419 H HA -0.016 4.539 4.556 -0.001 0.000 0.299 419 H C 2.338 177.684 175.328 0.029 0.000 1.099 419 H CA 0.797 56.841 56.048 -0.007 0.000 1.315 419 H CB -0.978 28.758 29.762 -0.044 0.000 1.380 419 H HN 0.293 nan 8.280 nan 0.000 0.513 420 C N 0.671 120.058 119.300 0.145 0.000 2.422 420 C HA -0.035 4.424 4.460 -0.001 0.000 0.286 420 C C 2.148 177.182 174.990 0.074 0.000 1.412 420 C CA 0.655 59.727 59.018 0.090 0.000 1.786 420 C CB -0.551 27.226 27.740 0.062 0.000 1.835 420 C HN 0.592 nan 8.230 nan 0.000 0.533 421 N N -0.595 118.148 118.700 0.072 0.000 2.317 421 N HA -0.033 4.706 4.740 -0.001 0.000 0.199 421 N C 1.756 177.299 175.510 0.054 0.000 1.145 421 N CA 1.236 54.323 53.050 0.061 0.000 0.882 421 N CB -0.070 38.450 38.487 0.054 0.000 1.113 421 N HN 0.635 nan 8.380 nan 0.000 0.486 422 T N -2.118 112.479 114.554 0.071 0.000 3.043 422 T HA -0.040 4.309 4.350 -0.001 0.000 0.263 422 T C 0.591 175.340 174.700 0.082 0.000 1.094 422 T CA 0.957 63.093 62.100 0.059 0.000 1.127 422 T CB -0.137 68.767 68.868 0.060 0.000 0.905 422 T HN 0.090 nan 8.240 nan 0.000 0.490 423 H N 0.652 119.702 119.070 -0.033 0.000 2.675 423 H HA 0.679 5.234 4.556 -0.001 0.000 0.258 423 H C -1.201 174.099 175.328 -0.047 0.000 1.271 423 H CA -0.798 55.210 56.048 -0.067 0.000 1.462 423 H CB 0.559 30.266 29.762 -0.092 0.000 1.467 423 H HN 0.236 nan 8.280 nan 0.000 0.501 424 S N 4.050 119.614 115.700 -0.225 0.000 2.543 424 S HA 0.279 4.748 4.470 -0.001 0.000 0.274 424 S C -2.463 171.974 174.600 -0.271 0.000 1.149 424 S CA -1.131 56.963 58.200 -0.177 0.000 0.866 424 S CB 1.338 64.536 63.200 -0.003 0.000 1.111 424 S HN 0.345 nan 8.310 nan 0.000 0.457 425 P HA 0.184 nan 4.420 nan 0.000 0.230 425 P C -0.559 176.360 177.300 -0.635 0.000 1.158 425 P CA 0.827 63.592 63.100 -0.558 0.000 0.769 425 P CB -0.129 31.223 31.700 -0.580 0.000 0.807 426 F N -0.449 119.461 119.950 -0.066 0.000 2.495 426 F HA 0.309 4.836 4.527 -0.001 0.000 0.327 426 F C 0.685 176.448 175.800 -0.061 0.000 1.103 426 F CA -1.589 56.384 58.000 -0.046 0.000 0.949 426 F CB 0.697 39.684 39.000 -0.020 0.000 1.142 426 F HN -0.355 nan 8.300 nan 0.000 0.457 427 D N 4.764 125.234 120.400 0.118 0.000 2.358 427 D HA 0.137 4.777 4.640 -0.001 0.000 0.258 427 D C -1.629 174.711 176.300 0.067 0.000 1.223 427 D CA -2.194 51.837 54.000 0.052 0.000 0.886 427 D CB 1.302 42.111 40.800 0.016 0.000 1.120 427 D HN 0.140 nan 8.370 nan 0.000 0.482 428 P HA -0.022 nan 4.420 nan 0.000 0.229 428 P C 0.870 178.193 177.300 0.039 0.000 1.160 428 P CA 0.437 63.567 63.100 0.049 0.000 0.777 428 P CB 0.200 31.933 31.700 0.055 0.000 0.814 429 A N -0.245 122.593 122.820 0.030 0.000 2.015 429 A HA -0.066 4.253 4.320 -0.001 0.000 0.219 429 A C 2.118 179.706 177.584 0.007 0.000 1.163 429 A CA 1.179 53.231 52.037 0.024 0.000 0.646 429 A CB -1.091 17.919 19.000 0.017 0.000 0.806 429 A HN 0.193 nan 8.150 nan 0.000 0.448 430 I N -2.324 118.245 120.570 -0.002 0.000 3.136 430 I HA 0.226 4.395 4.170 -0.001 0.000 0.262 430 I C 1.268 177.353 176.117 -0.053 0.000 1.132 430 I CA 0.786 62.067 61.300 -0.031 0.000 1.450 430 I CB 0.175 38.155 38.000 -0.034 0.000 1.315 430 I HN 0.171 nan 8.210 nan 0.000 0.460 431 A N 2.884 125.685 122.820 -0.032 0.000 3.258 431 A HA 0.492 4.812 4.320 -0.001 0.000 0.318 431 A C -2.605 174.917 177.584 -0.104 0.000 0.990 431 A CA -1.230 50.750 52.037 -0.094 0.000 0.885 431 A CB -0.511 18.440 19.000 -0.081 0.000 1.090 431 A HN -0.025 nan 8.150 nan 0.000 0.479 432 P HA 0.204 nan 4.420 nan 0.000 0.272 432 P C -0.146 177.059 177.300 -0.160 0.000 1.223 432 P CA 0.097 63.156 63.100 -0.068 0.000 0.784 432 P CB 1.332 33.012 31.700 -0.033 0.000 0.923 433 V N 4.758 124.605 119.914 -0.111 0.000 2.368 433 V HA 0.214 4.333 4.120 -0.001 0.000 0.266 433 V C 1.561 177.525 176.094 -0.216 0.000 1.045 433 V CA 0.024 62.231 62.300 -0.156 0.000 0.899 433 V CB 0.183 31.975 31.823 -0.052 0.000 1.006 433 V HN 0.531 nan 8.190 nan 0.000 0.470 434 R N 4.195 124.459 120.500 -0.394 0.000 2.565 434 R HA 0.279 4.618 4.340 -0.001 0.000 0.347 434 R C 0.224 176.257 176.300 -0.446 0.000 1.010 434 R CA -0.121 55.524 56.100 -0.757 0.000 1.126 434 R CB 0.762 30.350 30.300 -1.187 0.000 1.331 434 R HN 0.901 nan 8.270 nan 0.000 0.552 435 Q N -1.777 117.783 119.800 -0.401 0.000 2.869 435 Q HA 0.454 4.793 4.340 -0.001 0.000 0.322 435 Q C -1.331 174.230 176.000 -0.732 0.000 0.832 435 Q CA -0.811 54.571 55.803 -0.702 0.000 0.791 435 Q CB 1.385 29.743 28.738 -0.633 0.000 1.412 435 Q HN -0.080 nan 8.270 nan 0.000 0.483 436 S N -0.614 114.350 115.700 -1.226 0.000 2.971 436 S HA 0.585 5.055 4.470 -0.001 0.000 0.320 436 S C -1.197 173.244 174.600 -0.265 0.000 1.111 436 S CA -0.196 57.689 58.200 -0.524 0.000 0.870 436 S CB 1.116 64.184 63.200 -0.219 0.000 1.331 436 S HN 0.817 nan 8.310 nan 0.000 0.635 437 N N 0.539 119.225 118.700 -0.022 0.000 2.681 437 N HA 0.221 4.960 4.740 -0.001 0.000 0.311 437 N C 1.049 176.636 175.510 0.128 0.000 1.303 437 N CA -0.576 52.498 53.050 0.040 0.000 0.926 437 N CB -0.658 37.802 38.487 -0.045 0.000 1.136 437 N HN 0.478 nan 8.380 nan 0.000 0.592 438 L N 0.183 121.432 121.223 0.043 0.000 2.013 438 L HA -0.088 4.252 4.340 -0.001 0.000 0.212 438 L C 1.638 178.465 176.870 -0.071 0.000 1.073 438 L CA 1.892 56.751 54.840 0.033 0.000 0.753 438 L CB -0.603 41.468 42.059 0.020 0.000 0.890 438 L HN 0.713 nan 8.230 nan 0.000 0.432 439 C N -0.378 118.763 119.300 -0.265 0.000 2.855 439 C HA 0.360 4.819 4.460 -0.001 0.000 0.279 439 C C 1.146 175.576 174.990 -0.933 0.000 1.270 439 C CA -0.729 57.813 59.018 -0.794 0.000 1.702 439 C CB -0.771 26.585 27.740 -0.640 0.000 1.949 439 C HN 0.593 nan 8.230 nan 0.000 0.618 440 L N 1.661 122.640 121.223 -0.406 0.000 4.560 440 L HA -0.167 4.172 4.340 -0.001 0.000 0.415 440 L C 1.738 178.496 176.870 -0.187 0.000 1.123 440 L CA 1.615 56.322 54.840 -0.223 0.000 0.991 440 L CB -1.799 40.121 42.059 -0.233 0.000 2.127 440 L HN 0.642 nan 8.230 nan 0.000 0.765 441 E N -0.841 119.238 120.200 -0.201 0.000 2.473 441 E HA 0.098 4.448 4.350 -0.001 0.000 0.204 441 E C 0.784 177.340 176.600 -0.073 0.000 0.994 441 E CA -0.073 56.252 56.400 -0.125 0.000 0.945 441 E CB 0.642 30.260 29.700 -0.136 0.000 0.990 441 E HN 0.414 nan 8.360 nan 0.000 0.493 442 I N 2.208 122.731 120.570 -0.079 0.000 2.353 442 I HA 0.451 4.620 4.170 -0.001 0.000 0.293 442 I C -0.227 175.853 176.117 -0.061 0.000 0.992 442 I CA -0.875 60.392 61.300 -0.054 0.000 1.268 442 I CB 1.154 39.118 38.000 -0.060 0.000 1.387 442 I HN 0.086 nan 8.210 nan 0.000 0.478 443 A N 8.349 131.156 122.820 -0.023 0.000 2.651 443 A HA 0.764 5.083 4.320 -0.001 0.000 0.290 443 A C -0.912 176.679 177.584 0.012 0.000 1.185 443 A CA -0.392 51.626 52.037 -0.032 0.000 0.746 443 A CB 0.639 19.639 19.000 -0.000 0.000 1.213 443 A HN 0.615 nan 8.150 nan 0.000 0.429 444 L N 1.930 123.098 121.223 -0.092 0.000 2.350 444 L HA 0.616 4.956 4.340 -0.001 0.000 0.260 444 L C -2.586 174.093 176.870 -0.319 0.000 1.015 444 L CA -2.543 52.187 54.840 -0.184 0.000 0.821 444 L CB 2.804 44.803 42.059 -0.101 0.000 1.370 444 L HN 0.340 nan 8.230 nan 0.000 0.416 445 P HA 0.320 nan 4.420 nan 0.000 0.274 445 P C -1.008 176.158 177.300 -0.224 0.000 1.237 445 P CA -0.274 62.596 63.100 -0.384 0.000 0.793 445 P CB 1.017 32.429 31.700 -0.480 0.000 0.977 446 T N -1.776 112.672 114.554 -0.176 0.000 2.843 446 T HA 0.718 5.068 4.350 -0.001 0.000 0.302 446 T C -1.091 173.557 174.700 -0.087 0.000 1.232 446 T CA -1.040 60.994 62.100 -0.111 0.000 1.009 446 T CB 1.670 70.467 68.868 -0.118 0.000 1.254 446 T HN 0.204 nan 8.240 nan 0.000 0.504 447 K N 1.108 121.479 120.400 -0.049 0.000 2.468 447 K HA 0.592 4.912 4.320 -0.001 0.000 0.252 447 K C -3.094 173.496 176.600 -0.016 0.000 0.932 447 K CA -2.186 54.080 56.287 -0.035 0.000 0.794 447 K CB 2.359 34.840 32.500 -0.032 0.000 1.241 447 K HN 0.342 nan 8.250 nan 0.000 0.428 448 P HA -0.009 nan 4.420 nan 0.000 0.266 448 P C -0.937 176.371 177.300 0.013 0.000 1.195 448 P CA -0.275 62.826 63.100 0.002 0.000 0.768 448 P CB 0.413 32.115 31.700 0.003 0.000 0.838 449 L N 3.502 124.740 121.223 0.024 0.000 2.357 449 L HA 0.288 4.628 4.340 -0.001 0.000 0.273 449 L C 1.548 178.441 176.870 0.039 0.000 1.080 449 L CA 0.451 55.312 54.840 0.034 0.000 0.803 449 L CB 0.237 42.322 42.059 0.044 0.000 1.174 449 L HN 0.250 nan 8.230 nan 0.000 0.443 450 N N 0.516 119.239 118.700 0.038 0.000 2.325 450 N HA 0.069 4.809 4.740 -0.001 0.000 0.182 450 N C -0.737 174.800 175.510 0.045 0.000 1.088 450 N CA 0.274 53.348 53.050 0.039 0.000 0.879 450 N CB 0.274 38.780 38.487 0.032 0.000 0.983 450 N HN 0.721 nan 8.380 nan 0.000 0.471 451 D N -2.404 118.024 120.400 0.046 0.000 2.722 451 D HA 0.055 4.694 4.640 -0.001 0.000 0.231 451 D C 0.888 177.217 176.300 0.047 0.000 1.218 451 D CA -0.435 53.593 54.000 0.046 0.000 0.753 451 D CB 1.015 41.838 40.800 0.037 0.000 1.471 451 D HN -0.216 nan 8.370 nan 0.000 0.455 452 V N 1.507 121.450 119.914 0.048 0.000 2.453 452 V HA -0.134 3.985 4.120 -0.001 0.000 0.252 452 V C 1.244 177.362 176.094 0.041 0.000 1.068 452 V CA 1.508 63.836 62.300 0.047 0.000 1.070 452 V CB -0.626 31.219 31.823 0.037 0.000 0.664 452 V HN 0.589 nan 8.190 nan 0.000 0.461 453 N N -0.216 118.505 118.700 0.035 0.000 2.238 453 N HA 0.101 4.840 4.740 -0.001 0.000 0.222 453 N C 0.208 175.738 175.510 0.032 0.000 1.133 453 N CA -0.022 53.046 53.050 0.030 0.000 0.854 453 N CB -0.062 38.438 38.487 0.022 0.000 1.041 453 N HN 0.508 nan 8.380 nan 0.000 0.510 454 D N 1.683 122.105 120.400 0.036 0.000 2.451 454 D HA -0.052 4.587 4.640 -0.001 0.000 0.254 454 D C 0.938 177.261 176.300 0.039 0.000 1.204 454 D CA 0.453 54.474 54.000 0.035 0.000 0.896 454 D CB 0.771 41.592 40.800 0.035 0.000 1.136 454 D HN 0.057 nan 8.370 nan 0.000 0.499 455 E N 2.848 123.070 120.200 0.037 0.000 2.502 455 E HA -0.050 4.299 4.350 -0.001 0.000 0.194 455 E C 0.504 177.137 176.600 0.053 0.000 1.062 455 E CA 0.310 56.737 56.400 0.044 0.000 0.867 455 E CB -0.033 29.690 29.700 0.039 0.000 0.888 455 E HN 0.600 nan 8.360 nan 0.000 0.510 456 N N 0.239 118.963 118.700 0.041 0.000 2.236 456 N HA 0.057 4.797 4.740 -0.001 0.000 0.196 456 N C 0.808 176.336 175.510 0.029 0.000 1.114 456 N CA -0.131 52.938 53.050 0.032 0.000 0.859 456 N CB 0.771 39.267 38.487 0.014 0.000 0.982 456 N HN -0.029 nan 8.380 nan 0.000 0.493 457 G N 0.603 109.426 108.800 0.039 0.000 2.572 457 G HA2 0.191 4.151 3.960 -0.001 0.000 0.261 457 G HA3 0.191 4.151 3.960 -0.001 0.000 0.261 457 G C -0.728 174.206 174.900 0.057 0.000 1.197 457 G CA -0.185 44.937 45.100 0.036 0.000 0.870 457 G HN 0.112 nan 8.290 nan 0.000 0.548 458 E N 0.205 120.431 120.200 0.044 0.000 2.244 458 E HA 0.375 4.724 4.350 -0.001 0.000 0.260 458 E C -0.854 175.762 176.600 0.028 0.000 0.884 458 E CA -0.540 55.900 56.400 0.066 0.000 0.777 458 E CB 1.299 31.052 29.700 0.088 0.000 1.197 458 E HN 0.339 nan 8.360 nan 0.000 0.416 459 I N 3.188 123.780 120.570 0.035 0.000 2.359 459 I HA 0.408 4.577 4.170 -0.001 0.000 0.294 459 I C 0.204 176.313 176.117 -0.012 0.000 0.987 459 I CA -0.602 60.701 61.300 0.005 0.000 1.225 459 I CB 1.678 39.700 38.000 0.035 0.000 1.366 459 I HN 0.527 nan 8.210 nan 0.000 0.466 460 A N 7.888 130.677 122.820 -0.051 0.000 2.331 460 A HA 0.789 5.108 4.320 -0.001 0.000 0.283 460 A C -0.565 176.978 177.584 -0.068 0.000 1.142 460 A CA -0.237 51.768 52.037 -0.054 0.000 0.812 460 A CB 0.409 19.359 19.000 -0.082 0.000 1.074 460 A HN 0.688 nan 8.150 nan 0.000 0.497 461 L N 0.966 122.170 121.223 -0.030 0.000 2.333 461 L HA 0.692 5.031 4.340 -0.001 0.000 0.263 461 L C -0.620 176.253 176.870 0.005 0.000 1.014 461 L CA -0.690 54.134 54.840 -0.026 0.000 0.820 461 L CB 2.279 44.363 42.059 0.041 0.000 1.352 461 L HN 0.734 nan 8.230 nan 0.000 0.421 462 C N 0.373 119.673 119.300 0.001 0.000 2.701 462 C HA 0.625 5.085 4.460 -0.001 0.000 0.336 462 C C -0.178 174.824 174.990 0.019 0.000 1.123 462 C CA -0.206 58.822 59.018 0.016 0.000 1.326 462 C CB 1.752 29.495 27.740 0.005 0.000 1.833 462 C HN 0.844 nan 8.230 nan 0.000 0.473 463 T N 6.458 121.028 114.554 0.027 0.000 2.799 463 T HA 0.567 4.917 4.350 -0.001 0.000 0.286 463 T C -0.348 174.355 174.700 0.005 0.000 0.973 463 T CA -0.131 61.983 62.100 0.023 0.000 1.035 463 T CB 0.583 69.465 68.868 0.024 0.000 0.932 463 T HN 0.533 nan 8.240 nan 0.000 0.469 464 L N 2.021 123.247 121.223 0.004 0.000 2.330 464 L HA 0.831 5.170 4.340 -0.001 0.000 0.271 464 L C 0.322 177.182 176.870 -0.016 0.000 1.013 464 L CA -0.702 54.132 54.840 -0.010 0.000 0.816 464 L CB 1.900 43.958 42.059 -0.002 0.000 1.287 464 L HN 0.616 nan 8.230 nan 0.000 0.435 465 S N -0.285 115.383 115.700 -0.053 0.000 2.661 465 S HA 0.865 5.334 4.470 -0.001 0.000 0.268 465 S C -1.574 172.939 174.600 -0.144 0.000 1.162 465 S CA -0.437 57.722 58.200 -0.068 0.000 0.817 465 S CB 2.045 65.204 63.200 -0.069 0.000 1.141 465 S HN 0.804 nan 8.310 nan 0.000 0.477 466 A N 0.601 123.326 122.820 -0.159 0.000 2.572 466 A HA 0.832 5.152 4.320 -0.001 0.000 0.295 466 A C -1.933 175.527 177.584 -0.207 0.000 1.072 466 A CA -0.557 51.361 52.037 -0.198 0.000 0.691 466 A CB 0.648 19.636 19.000 -0.020 0.000 1.291 466 A HN 0.452 nan 8.150 nan 0.000 0.404 467 F N 1.495 121.458 119.950 0.022 0.000 2.394 467 F HA 0.384 4.910 4.527 -0.001 0.000 0.340 467 F C 0.871 176.680 175.800 0.016 0.000 1.105 467 F CA -0.878 57.120 58.000 -0.004 0.000 1.124 467 F CB 1.096 40.064 39.000 -0.054 0.000 1.145 467 F HN 0.572 nan 8.300 nan 0.000 0.505 468 N N 4.026 122.867 118.700 0.236 0.000 2.482 468 N HA 0.129 4.868 4.740 -0.001 0.000 0.242 468 N C 0.785 176.386 175.510 0.151 0.000 1.100 468 N CA 0.109 53.270 53.050 0.184 0.000 0.946 468 N CB 0.349 38.945 38.487 0.181 0.000 1.227 468 N HN 0.712 nan 8.380 nan 0.000 0.508 469 L N 1.834 123.125 121.223 0.113 0.000 2.261 469 L HA -0.061 4.278 4.340 -0.001 0.000 0.216 469 L C 1.926 178.904 176.870 0.181 0.000 1.114 469 L CA 1.195 56.024 54.840 -0.019 0.000 0.777 469 L CB -0.164 41.733 42.059 -0.271 0.000 0.910 469 L HN 0.561 nan 8.230 nan 0.000 0.440 470 G N -1.140 107.851 108.800 0.319 0.000 2.777 470 G HA2 0.093 4.053 3.960 -0.001 0.000 0.211 470 G HA3 0.093 4.053 3.960 -0.001 0.000 0.211 470 G C 1.403 176.512 174.900 0.349 0.000 1.149 470 G CA 0.577 45.966 45.100 0.483 0.000 0.785 470 G HN 0.411 nan 8.290 nan 0.000 0.536 471 A N 0.342 123.297 122.820 0.225 0.000 2.348 471 A HA 0.513 4.833 4.320 -0.001 0.000 0.224 471 A C 0.976 178.609 177.584 0.081 0.000 1.227 471 A CA -0.291 51.839 52.037 0.154 0.000 0.885 471 A CB -0.233 18.857 19.000 0.149 0.000 0.933 471 A HN 0.524 nan 8.150 nan 0.000 0.506 472 I N -3.566 117.051 120.570 0.079 0.000 2.353 472 I HA 0.383 4.552 4.170 -0.001 0.000 0.293 472 I C 0.184 176.333 176.117 0.055 0.000 0.992 472 I CA -0.779 60.537 61.300 0.027 0.000 1.268 472 I CB 1.048 39.032 38.000 -0.027 0.000 1.387 472 I HN -0.098 nan 8.210 nan 0.000 0.478 473 N N 4.318 123.028 118.700 0.016 0.000 2.354 473 N HA -0.053 4.687 4.740 -0.001 0.000 0.179 473 N C -0.161 175.367 175.510 0.030 0.000 1.021 473 N CA 0.791 53.849 53.050 0.014 0.000 0.887 473 N CB -0.189 38.287 38.487 -0.018 0.000 0.974 473 N HN 0.908 nan 8.380 nan 0.000 0.437 474 N N -1.948 116.763 118.700 0.020 0.000 2.927 474 N HA 0.183 4.923 4.740 -0.001 0.000 0.248 474 N C -0.132 175.385 175.510 0.013 0.000 1.443 474 N CA -0.667 52.405 53.050 0.037 0.000 0.870 474 N CB 0.780 39.279 38.487 0.020 0.000 1.444 474 N HN -0.294 nan 8.380 nan 0.000 0.519 475 L N -0.452 120.798 121.223 0.046 0.000 2.291 475 L HA 0.025 4.365 4.340 -0.001 0.000 0.214 475 L C 0.733 177.646 176.870 0.072 0.000 1.120 475 L CA 0.859 55.731 54.840 0.052 0.000 0.799 475 L CB -0.317 41.812 42.059 0.115 0.000 0.925 475 L HN 0.664 nan 8.230 nan 0.000 0.446 476 D N -0.029 120.413 120.400 0.070 0.000 2.347 476 D HA -0.117 4.523 4.640 -0.001 0.000 0.215 476 D C 1.808 177.973 176.300 -0.226 0.000 0.976 476 D CA 0.555 54.566 54.000 0.017 0.000 0.884 476 D CB 0.168 41.024 40.800 0.094 0.000 0.915 476 D HN 0.410 nan 8.370 nan 0.000 0.526 477 E N 0.355 120.444 120.200 -0.186 0.000 2.204 477 E HA -0.100 4.249 4.350 -0.001 0.000 0.195 477 E C 2.013 178.395 176.600 -0.363 0.000 0.990 477 E CA 0.283 56.542 56.400 -0.235 0.000 0.821 477 E CB 0.019 29.618 29.700 -0.168 0.000 0.750 477 E HN 0.327 nan 8.360 nan 0.000 0.477 478 L N 0.800 121.759 121.223 -0.441 0.000 2.353 478 L HA -0.168 4.172 4.340 -0.001 0.000 0.220 478 L C 2.462 178.897 176.870 -0.725 0.000 1.133 478 L CA 0.771 55.250 54.840 -0.601 0.000 0.798 478 L CB -0.280 41.495 42.059 -0.474 0.000 0.922 478 L HN 0.171 nan 8.230 nan 0.000 0.445 479 E N 0.734 120.291 120.200 -1.071 0.000 2.031 479 E HA -0.254 4.096 4.350 -0.001 0.000 0.193 479 E C 1.899 178.233 176.600 -0.443 0.000 0.994 479 E CA 1.609 57.376 56.400 -1.056 0.000 0.800 479 E CB 0.186 29.276 29.700 -1.016 0.000 0.752 479 E HN 0.488 nan 8.360 nan 0.000 0.447 480 E N 0.506 120.498 120.200 -0.346 0.000 2.107 480 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 480 E C 2.153 178.683 176.600 -0.118 0.000 0.982 480 E CA 0.869 57.152 56.400 -0.194 0.000 0.809 480 E CB -0.094 29.495 29.700 -0.185 0.000 0.756 480 E HN 0.297 nan 8.360 nan 0.000 0.459 481 L N 0.481 121.603 121.223 -0.169 0.000 2.056 481 L HA -0.110 4.229 4.340 -0.001 0.000 0.207 481 L C 2.472 179.436 176.870 0.156 0.000 1.078 481 L CA 1.047 55.863 54.840 -0.040 0.000 0.749 481 L CB -0.555 41.402 42.059 -0.171 0.000 0.901 481 L HN 0.164 nan 8.230 nan 0.000 0.433 482 A N 0.396 123.226 122.820 0.017 0.000 1.902 482 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 482 A C 2.247 179.922 177.584 0.151 0.000 1.181 482 A CA 1.495 53.653 52.037 0.201 0.000 0.623 482 A CB -0.647 18.401 19.000 0.079 0.000 0.818 482 A HN 0.334 nan 8.150 nan 0.000 0.443 483 I N -0.835 119.781 120.570 0.075 0.000 2.179 483 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 483 I C 2.291 178.533 176.117 0.209 0.000 1.088 483 I CA 0.849 62.218 61.300 0.114 0.000 1.357 483 I CB -0.226 37.827 38.000 0.088 0.000 1.051 483 I HN 0.229 nan 8.210 nan 0.000 0.409 484 L N 0.536 121.903 121.223 0.241 0.000 2.027 484 L HA -0.136 4.203 4.340 -0.001 0.000 0.206 484 L C 2.638 179.766 176.870 0.430 0.000 1.074 484 L CA 2.209 57.281 54.840 0.386 0.000 0.745 484 L CB -1.472 40.790 42.059 0.338 0.000 0.898 484 L HN 0.205 nan 8.230 nan 0.000 0.433 485 A N -1.352 121.673 122.820 0.341 0.000 1.897 485 A HA -0.102 4.218 4.320 -0.001 0.000 0.215 485 A C 2.372 180.035 177.584 0.131 0.000 1.181 485 A CA 1.564 53.763 52.037 0.271 0.000 0.620 485 A CB -0.816 18.292 19.000 0.180 0.000 0.821 485 A HN 0.197 nan 8.150 nan 0.000 0.443 486 V N 0.107 120.090 119.914 0.115 0.000 2.343 486 V HA -0.282 3.838 4.120 -0.001 0.000 0.247 486 V C 2.675 178.771 176.094 0.002 0.000 1.051 486 V CA 2.359 64.687 62.300 0.046 0.000 1.036 486 V CB -0.809 31.042 31.823 0.048 0.000 0.654 486 V HN 0.517 nan 8.190 nan 0.000 0.451 487 R N -0.164 120.356 120.500 0.032 0.000 2.075 487 R HA -0.049 4.290 4.340 -0.001 0.000 0.232 487 R C 2.468 178.569 176.300 -0.332 0.000 1.126 487 R CA 1.345 57.414 56.100 -0.052 0.000 0.963 487 R CB -0.598 29.745 30.300 0.072 0.000 0.858 487 R HN 0.528 nan 8.270 nan 0.000 0.435 488 A N 1.258 123.851 122.820 -0.378 0.000 1.883 488 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 488 A C 2.142 179.465 177.584 -0.435 0.000 1.186 488 A CA 1.292 52.893 52.037 -0.726 0.000 0.624 488 A CB -0.553 18.019 19.000 -0.714 0.000 0.822 488 A HN 0.178 nan 8.150 nan 0.000 0.444 489 L N -1.145 119.953 121.223 -0.210 0.000 2.109 489 L HA -0.127 4.213 4.340 -0.001 0.000 0.207 489 L C 2.335 179.136 176.870 -0.115 0.000 1.086 489 L CA 1.602 56.362 54.840 -0.133 0.000 0.760 489 L CB -0.653 41.371 42.059 -0.058 0.000 0.910 489 L HN 0.428 nan 8.230 nan 0.000 0.437 490 D N 0.358 120.690 120.400 -0.113 0.000 2.144 490 D HA -0.184 4.456 4.640 -0.001 0.000 0.199 490 D C 2.175 178.411 176.300 -0.106 0.000 0.984 490 D CA 1.303 55.251 54.000 -0.086 0.000 0.834 490 D CB 0.201 40.958 40.800 -0.072 0.000 0.955 490 D HN 0.258 nan 8.370 nan 0.000 0.465 491 A N -0.133 122.572 122.820 -0.192 0.000 1.969 491 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 491 A C 2.072 179.571 177.584 -0.141 0.000 1.169 491 A CA 1.006 52.924 52.037 -0.198 0.000 0.635 491 A CB -0.725 18.056 19.000 -0.365 0.000 0.810 491 A HN 0.388 nan 8.150 nan 0.000 0.445 492 L N -0.063 121.061 121.223 -0.164 0.000 2.093 492 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 492 L C 2.161 179.080 176.870 0.082 0.000 1.085 492 L CA 1.460 56.261 54.840 -0.066 0.000 0.755 492 L CB -0.470 41.508 42.059 -0.135 0.000 0.904 492 L HN 0.405 nan 8.230 nan 0.000 0.435 493 L N -0.539 120.722 121.223 0.064 0.000 2.081 493 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 493 L C 1.969 178.967 176.870 0.214 0.000 1.080 493 L CA 1.503 56.435 54.840 0.154 0.000 0.754 493 L CB -0.876 41.238 42.059 0.092 0.000 0.893 493 L HN 0.337 nan 8.230 nan 0.000 0.433 494 D N -1.678 118.801 120.400 0.132 0.000 2.289 494 D HA -0.138 4.501 4.640 -0.001 0.000 0.207 494 D C 1.863 178.269 176.300 0.176 0.000 0.966 494 D CA 0.798 54.877 54.000 0.133 0.000 0.868 494 D CB 0.100 40.932 40.800 0.053 0.000 0.943 494 D HN 0.310 nan 8.370 nan 0.000 0.514 495 Y N 1.942 122.255 120.300 0.022 0.000 2.269 495 Y HA -0.026 4.523 4.550 -0.001 0.000 0.294 495 Y C 1.192 177.136 175.900 0.073 0.000 1.120 495 Y CA 0.503 58.614 58.100 0.018 0.000 1.159 495 Y CB 0.051 38.498 38.460 -0.021 0.000 1.024 495 Y HN -0.078 nan 8.280 nan 0.000 0.532 496 Q N 1.110 121.006 119.800 0.158 0.000 2.417 496 Q HA 0.120 4.459 4.340 -0.001 0.000 0.241 496 Q C -0.814 174.988 176.000 -0.329 0.000 1.008 496 Q CA -0.530 55.274 55.803 0.003 0.000 0.901 496 Q CB 0.700 29.489 28.738 0.085 0.000 1.259 496 Q HN 0.153 nan 8.270 nan 0.000 0.489 497 D N 0.547 120.705 120.400 -0.403 0.000 2.329 497 D HA 0.220 4.859 4.640 -0.001 0.000 0.246 497 D C -1.164 174.773 176.300 -0.604 0.000 1.111 497 D CA 0.073 53.849 54.000 -0.373 0.000 0.941 497 D CB 0.509 41.151 40.800 -0.263 0.000 1.169 497 D HN 0.444 nan 8.370 nan 0.000 0.441 498 Y N 0.644 120.927 120.300 -0.030 0.000 2.426 498 Y HA 0.226 4.775 4.550 -0.001 0.000 0.325 498 Y C -1.306 174.556 175.900 -0.064 0.000 0.989 498 Y CA -1.408 56.693 58.100 0.000 0.000 1.284 498 Y CB 1.715 40.191 38.460 0.026 0.000 1.104 498 Y HN 0.204 nan 8.280 nan 0.000 0.481 499 P HA 0.001 nan 4.420 nan 0.000 0.225 499 P C 0.022 177.263 177.300 -0.099 0.000 1.156 499 P CA 1.197 64.197 63.100 -0.166 0.000 0.787 499 P CB 1.084 32.552 31.700 -0.387 0.000 0.802 500 I N 0.385 120.945 120.570 -0.016 0.000 2.418 500 I HA 0.235 4.404 4.170 -0.001 0.000 0.287 500 I C -1.825 174.353 176.117 0.101 0.000 1.008 500 I CA -2.888 58.445 61.300 0.055 0.000 1.104 500 I CB 1.462 39.534 38.000 0.121 0.000 1.264 500 I HN -0.305 nan 8.210 nan 0.000 0.438 501 P HA -0.173 nan 4.420 nan 0.000 0.216 501 P C 1.525 178.847 177.300 0.037 0.000 1.153 501 P CA 1.739 64.862 63.100 0.040 0.000 0.858 501 P CB 0.433 32.151 31.700 0.031 0.000 0.789 502 A N -0.565 122.292 122.820 0.062 0.000 2.019 502 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 502 A C 2.239 179.864 177.584 0.068 0.000 1.164 502 A CA 1.879 53.957 52.037 0.068 0.000 0.644 502 A CB -1.373 17.670 19.000 0.071 0.000 0.805 502 A HN 0.221 nan 8.150 nan 0.000 0.449 503 A N -0.235 122.651 122.820 0.110 0.000 1.898 503 A HA -0.035 4.285 4.320 -0.001 0.000 0.214 503 A C 2.078 179.660 177.584 -0.003 0.000 1.183 503 A CA 1.614 53.733 52.037 0.137 0.000 0.622 503 A CB -0.386 18.826 19.000 0.354 0.000 0.824 503 A HN 0.500 nan 8.150 nan 0.000 0.444 504 K N -0.211 120.112 120.400 -0.128 0.000 2.063 504 K HA -0.179 4.141 4.320 -0.001 0.000 0.208 504 K C 2.265 178.615 176.600 -0.417 0.000 1.048 504 K CA 1.395 57.318 56.287 -0.608 0.000 0.928 504 K CB -0.181 32.060 32.500 -0.433 0.000 0.713 504 K HN 0.376 nan 8.250 nan 0.000 0.442 505 R N -0.476 119.905 120.500 -0.198 0.000 2.083 505 R HA -0.122 4.218 4.340 -0.001 0.000 0.237 505 R C 2.449 178.578 176.300 -0.284 0.000 1.137 505 R CA 1.570 57.572 56.100 -0.163 0.000 0.951 505 R CB -0.669 29.679 30.300 0.081 0.000 0.851 505 R HN 0.404 nan 8.270 nan 0.000 0.434 506 G N 0.650 109.381 108.800 -0.114 0.000 2.421 506 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.216 506 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.216 506 G C 1.570 176.366 174.900 -0.174 0.000 1.171 506 G CA 0.875 45.932 45.100 -0.072 0.000 0.775 506 G HN 0.426 nan 8.290 nan 0.000 0.543 507 A N 0.296 123.005 122.820 -0.185 0.000 1.898 507 A HA 0.092 4.411 4.320 -0.001 0.000 0.216 507 A C 2.428 179.871 177.584 -0.236 0.000 1.181 507 A CA 1.902 53.851 52.037 -0.147 0.000 0.620 507 A CB -0.284 18.678 19.000 -0.063 0.000 0.819 507 A HN 0.292 nan 8.150 nan 0.000 0.442 508 M N -0.545 118.829 119.600 -0.376 0.000 2.200 508 M HA -0.015 4.464 4.480 -0.001 0.000 0.265 508 M C 2.310 178.314 176.300 -0.494 0.000 1.066 508 M CA 1.321 56.400 55.300 -0.368 0.000 1.127 508 M CB -1.819 30.564 32.600 -0.362 0.000 1.379 508 M HN 0.459 nan 8.290 nan 0.000 0.420 509 G N 0.710 108.999 108.800 -0.852 0.000 2.421 509 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.216 509 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.216 509 G C 1.796 176.338 174.900 -0.598 0.000 1.171 509 G CA 0.480 44.700 45.100 -1.467 0.000 0.775 509 G HN 0.465 nan 8.290 nan 0.000 0.543 510 R N -1.017 119.325 120.500 -0.263 0.000 2.279 510 R HA 0.262 4.601 4.340 -0.001 0.000 0.195 510 R C 0.517 176.848 176.300 0.053 0.000 0.905 510 R CA -0.282 55.855 56.100 0.063 0.000 1.044 510 R CB 0.313 30.755 30.300 0.236 0.000 1.056 510 R HN 0.110 nan 8.270 nan 0.000 0.535 511 R N 2.060 122.543 120.500 -0.028 0.000 3.322 511 R HA -0.117 4.223 4.340 -0.001 0.000 0.253 511 R C -0.621 175.702 176.300 0.038 0.000 0.987 511 R CA 1.025 57.120 56.100 -0.008 0.000 0.666 511 R CB -2.222 28.061 30.300 -0.027 0.000 1.072 511 R HN 0.396 nan 8.270 nan 0.000 0.447 512 T N -1.117 113.476 114.554 0.066 0.000 2.851 512 T HA 0.562 4.912 4.350 -0.001 0.000 0.298 512 T C 0.705 175.439 174.700 0.056 0.000 0.977 512 T CA -0.654 61.502 62.100 0.094 0.000 1.126 512 T CB 1.468 70.421 68.868 0.141 0.000 0.916 512 T HN 0.232 nan 8.240 nan 0.000 0.529 513 L N 2.028 123.278 121.223 0.046 0.000 2.319 513 L HA 0.809 5.149 4.340 -0.001 0.000 0.267 513 L C 0.587 177.470 176.870 0.021 0.000 1.011 513 L CA -1.322 53.531 54.840 0.021 0.000 0.818 513 L CB 2.269 44.331 42.059 0.003 0.000 1.316 513 L HN 0.939 nan 8.230 nan 0.000 0.432 514 G N 2.140 110.940 108.800 0.000 0.000 3.405 514 G HA2 0.588 4.548 3.960 -0.001 0.000 0.318 514 G HA3 0.588 4.548 3.960 -0.001 0.000 0.318 514 G C -0.899 173.978 174.900 -0.039 0.000 1.597 514 G CA -0.164 44.933 45.100 -0.005 0.000 1.022 514 G HN 0.354 nan 8.290 nan 0.000 0.506 515 I N 2.390 122.922 120.570 -0.064 0.000 2.321 515 I HA 0.580 4.750 4.170 -0.001 0.000 0.291 515 I C 1.035 177.075 176.117 -0.128 0.000 0.998 515 I CA -0.319 60.879 61.300 -0.171 0.000 1.227 515 I CB 1.841 39.663 38.000 -0.296 0.000 1.368 515 I HN 0.423 nan 8.210 nan 0.000 0.466 516 G N 5.210 113.933 108.800 -0.129 0.000 3.135 516 G HA2 0.801 4.760 3.960 -0.001 0.000 0.159 516 G HA3 0.801 4.760 3.960 -0.001 0.000 0.159 516 G C -0.670 174.229 174.900 -0.001 0.000 1.244 516 G CA -0.386 44.706 45.100 -0.013 0.000 0.965 516 G HN 0.536 nan 8.290 nan 0.000 0.599 517 V N -1.629 118.338 119.914 0.089 0.000 3.078 517 V HA 0.857 4.977 4.120 -0.001 0.000 0.311 517 V C -0.476 175.711 176.094 0.156 0.000 1.138 517 V CA -1.007 61.370 62.300 0.130 0.000 1.007 517 V CB 1.461 33.377 31.823 0.155 0.000 1.045 517 V HN 1.156 nan 8.190 nan 0.000 0.432 518 I N -1.072 119.606 120.570 0.180 0.000 3.145 518 I HA 0.749 4.918 4.170 -0.001 0.000 0.313 518 I C 0.286 176.563 176.117 0.266 0.000 1.122 518 I CA -0.810 60.617 61.300 0.211 0.000 0.987 518 I CB 2.210 40.309 38.000 0.166 0.000 1.236 518 I HN 0.739 nan 8.210 nan 0.000 0.453 519 N N 0.523 119.407 118.700 0.306 0.000 2.776 519 N HA -0.259 4.480 4.740 -0.001 0.000 0.250 519 N C 0.078 175.864 175.510 0.460 0.000 1.112 519 N CA 1.088 54.367 53.050 0.381 0.000 0.733 519 N CB -1.158 37.548 38.487 0.366 0.000 1.097 519 N HN 0.842 nan 8.380 nan 0.000 0.558 520 F N 0.545 120.678 119.950 0.306 0.000 2.146 520 F HA 0.068 4.595 4.527 -0.001 0.000 0.298 520 F C 2.126 178.149 175.800 0.371 0.000 1.096 520 F CA 1.936 60.123 58.000 0.311 0.000 1.275 520 F CB -0.609 38.575 39.000 0.308 0.000 1.008 520 F HN 0.197 nan 8.300 nan 0.000 0.480 521 A N -0.282 122.782 122.820 0.406 0.000 1.883 521 A HA -0.288 4.031 4.320 -0.001 0.000 0.217 521 A C 2.166 179.911 177.584 0.268 0.000 1.186 521 A CA 1.892 54.165 52.037 0.394 0.000 0.624 521 A CB -1.806 17.557 19.000 0.606 0.000 0.822 521 A HN 0.612 nan 8.150 nan 0.000 0.444 522 Y N -1.039 119.422 120.300 0.268 0.000 2.128 522 Y HA -0.295 4.254 4.550 -0.001 0.000 0.284 522 Y C 2.214 178.137 175.900 0.038 0.000 1.154 522 Y CA 1.911 60.099 58.100 0.147 0.000 1.149 522 Y CB -0.952 37.675 38.460 0.278 0.000 0.976 522 Y HN 0.443 nan 8.280 nan 0.000 0.505 523 Y N 0.348 120.531 120.300 -0.195 0.000 2.114 523 Y HA -0.307 4.243 4.550 -0.001 0.000 0.282 523 Y C 2.224 177.991 175.900 -0.221 0.000 1.165 523 Y CA 2.249 60.214 58.100 -0.225 0.000 1.148 523 Y CB -0.679 37.755 38.460 -0.043 0.000 0.972 523 Y HN 0.191 nan 8.280 nan 0.000 0.504 524 L N -0.371 120.658 121.223 -0.324 0.000 2.012 524 L HA -0.279 4.060 4.340 -0.001 0.000 0.210 524 L C 2.825 179.499 176.870 -0.326 0.000 1.073 524 L CA 1.306 55.895 54.840 -0.417 0.000 0.748 524 L CB -1.220 40.508 42.059 -0.553 0.000 0.891 524 L HN 0.384 nan 8.230 nan 0.000 0.431 525 A N 1.293 123.910 122.820 -0.338 0.000 1.883 525 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 525 A C 2.259 179.609 177.584 -0.390 0.000 1.186 525 A CA 2.214 54.019 52.037 -0.388 0.000 0.624 525 A CB -0.535 18.044 19.000 -0.701 0.000 0.822 525 A HN 0.569 nan 8.150 nan 0.000 0.444 526 K N -1.352 118.750 120.400 -0.497 0.000 2.365 526 K HA -0.108 4.211 4.320 -0.001 0.000 0.199 526 K C 0.972 177.248 176.600 -0.540 0.000 1.045 526 K CA 1.588 57.571 56.287 -0.507 0.000 0.962 526 K CB -0.379 31.746 32.500 -0.625 0.000 0.759 526 K HN 0.613 nan 8.250 nan 0.000 0.469 527 H N 0.082 118.894 119.070 -0.430 0.000 2.551 527 H HA 0.192 4.748 4.556 -0.001 0.000 0.271 527 H C 0.736 175.904 175.328 -0.268 0.000 0.984 527 H CA 0.535 56.362 56.048 -0.368 0.000 1.164 527 H CB 0.930 30.403 29.762 -0.481 0.000 1.437 527 H HN 0.534 nan 8.280 nan 0.000 0.550 528 G N 0.963 109.658 108.800 -0.175 0.000 2.160 528 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.251 528 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.251 528 G C 0.034 174.870 174.900 -0.107 0.000 1.008 528 G CA 0.120 45.139 45.100 -0.135 0.000 0.724 528 G HN 0.180 nan 8.290 nan 0.000 0.514 529 K N -0.574 119.748 120.400 -0.130 0.000 2.211 529 K HA 0.792 5.112 4.320 -0.001 0.000 0.237 529 K C 0.695 177.233 176.600 -0.103 0.000 1.002 529 K CA -0.655 55.563 56.287 -0.115 0.000 0.885 529 K CB 1.413 33.824 32.500 -0.149 0.000 1.136 529 K HN 0.348 nan 8.250 nan 0.000 0.448 530 R N -0.501 119.963 120.500 -0.060 0.000 2.888 530 R HA 0.326 4.665 4.340 -0.001 0.000 0.264 530 R C 0.669 176.987 176.300 0.030 0.000 1.045 530 R CA -0.657 55.460 56.100 0.027 0.000 0.962 530 R CB 0.693 31.043 30.300 0.084 0.000 1.210 530 R HN 0.471 nan 8.270 nan 0.000 0.479 531 Y N -0.175 120.173 120.300 0.080 0.000 2.314 531 Y HA -0.128 4.422 4.550 -0.000 0.000 0.294 531 Y C 2.405 178.373 175.900 0.115 0.000 1.119 531 Y CA 1.600 59.782 58.100 0.136 0.000 1.179 531 Y CB 0.244 38.826 38.460 0.203 0.000 1.025 531 Y HN 0.582 nan 8.280 nan 0.000 0.541 532 S N -0.913 114.940 115.700 0.256 0.000 2.528 532 S HA -0.055 4.414 4.470 -0.001 0.000 0.219 532 S C 0.885 175.558 174.600 0.122 0.000 0.985 532 S CA 0.817 59.125 58.200 0.180 0.000 0.914 532 S CB -0.190 63.093 63.200 0.138 0.000 0.776 532 S HN 0.561 nan 8.310 nan 0.000 0.526 533 D N -0.886 119.571 120.400 0.097 0.000 2.500 533 D HA 0.290 4.930 4.640 -0.001 0.000 0.217 533 D C 1.301 177.625 176.300 0.041 0.000 1.159 533 D CA 0.384 54.422 54.000 0.063 0.000 0.828 533 D CB -0.285 40.546 40.800 0.052 0.000 1.039 533 D HN 0.461 nan 8.370 nan 0.000 0.512 534 G N 0.869 109.691 108.800 0.036 0.000 2.179 534 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.260 534 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.260 534 G C 1.242 176.140 174.900 -0.002 0.000 0.977 534 G CA 0.877 45.981 45.100 0.007 0.000 0.641 534 G HN 0.722 nan 8.290 nan 0.000 0.533 535 S N -0.437 115.263 115.700 0.000 0.000 2.474 535 S HA 0.371 4.840 4.470 -0.001 0.000 0.235 535 S C 2.161 176.744 174.600 -0.028 0.000 0.997 535 S CA 1.369 59.560 58.200 -0.015 0.000 0.949 535 S CB -0.013 63.177 63.200 -0.016 0.000 0.766 535 S HN 1.728 nan 8.310 nan 0.000 0.517 536 A N 1.123 123.927 122.820 -0.027 0.000 2.348 536 A HA 0.329 4.649 4.320 -0.001 0.000 0.224 536 A C 1.698 179.298 177.584 0.026 0.000 1.227 536 A CA 0.038 52.058 52.037 -0.029 0.000 0.885 536 A CB -0.339 18.614 19.000 -0.078 0.000 0.933 536 A HN 0.438 nan 8.150 nan 0.000 0.506 537 N N 1.680 120.387 118.700 0.013 0.000 2.036 537 N HA -0.168 4.571 4.740 -0.001 0.000 0.195 537 N C 1.303 176.853 175.510 0.066 0.000 1.037 537 N CA 1.861 54.923 53.050 0.020 0.000 0.855 537 N CB -0.299 38.172 38.487 -0.027 0.000 1.033 537 N HN 0.446 nan 8.380 nan 0.000 0.423 538 N N 0.221 118.945 118.700 0.040 0.000 2.250 538 N HA -0.040 4.700 4.740 -0.001 0.000 0.181 538 N C 1.695 177.271 175.510 0.110 0.000 1.017 538 N CA 0.209 53.289 53.050 0.051 0.000 0.866 538 N CB -0.453 38.033 38.487 -0.002 0.000 0.985 538 N HN 0.158 nan 8.380 nan 0.000 0.429 539 L N 1.254 122.520 121.223 0.072 0.000 2.079 539 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 539 L C 1.854 178.849 176.870 0.207 0.000 1.081 539 L CA 1.697 56.579 54.840 0.070 0.000 0.752 539 L CB -1.047 40.982 42.059 -0.050 0.000 0.896 539 L HN 0.071 nan 8.230 nan 0.000 0.433 540 T N -1.555 113.163 114.554 0.272 0.000 2.777 540 T HA -0.187 4.163 4.350 -0.001 0.000 0.266 540 T C 1.811 176.755 174.700 0.407 0.000 1.040 540 T CA 1.283 63.639 62.100 0.427 0.000 1.141 540 T CB -0.448 68.616 68.868 0.327 0.000 0.868 540 T HN 0.503 nan 8.240 nan 0.000 0.444 541 H N 1.738 120.934 119.070 0.210 0.000 2.290 541 H HA -0.049 4.507 4.556 -0.001 0.000 0.298 541 H C 2.420 177.827 175.328 0.132 0.000 1.087 541 H CA 2.007 58.190 56.048 0.226 0.000 1.291 541 H CB -0.154 29.694 29.762 0.143 0.000 1.369 541 H HN 0.310 nan 8.280 nan 0.000 0.492 542 K N -0.386 120.214 120.400 0.333 0.000 2.032 542 K HA -0.120 4.200 4.320 -0.001 0.000 0.209 542 K C 2.221 178.893 176.600 0.119 0.000 1.048 542 K CA 1.976 58.416 56.287 0.255 0.000 0.927 542 K CB -0.031 32.613 32.500 0.239 0.000 0.712 542 K HN 0.217 nan 8.250 nan 0.000 0.441 543 T N 0.418 115.041 114.554 0.114 0.000 2.708 543 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 543 T C 1.534 176.071 174.700 -0.272 0.000 1.037 543 T CA 1.670 63.744 62.100 -0.043 0.000 1.146 543 T CB -0.332 68.540 68.868 0.008 0.000 0.865 543 T HN 0.181 nan 8.240 nan 0.000 0.435 544 F N 1.182 121.049 119.950 -0.138 0.000 2.325 544 F HA 0.095 4.622 4.527 -0.001 0.000 0.299 544 F C 2.497 177.922 175.800 -0.623 0.000 1.090 544 F CA 0.525 58.389 58.000 -0.226 0.000 1.392 544 F CB -0.240 38.724 39.000 -0.060 0.000 1.053 544 F HN 0.186 nan 8.300 nan 0.000 0.521 545 E N 0.707 120.316 120.200 -0.984 0.000 2.038 545 E HA -0.269 4.080 4.350 -0.001 0.000 0.195 545 E C 2.413 178.886 176.600 -0.212 0.000 1.000 545 E CA 1.270 57.092 56.400 -0.963 0.000 0.803 545 E CB -0.182 29.216 29.700 -0.504 0.000 0.750 545 E HN 0.330 nan 8.360 nan 0.000 0.448 546 A N 1.015 123.759 122.820 -0.127 0.000 1.908 546 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 546 A C 2.184 179.671 177.584 -0.162 0.000 1.181 546 A CA 1.458 53.379 52.037 -0.194 0.000 0.627 546 A CB -0.658 18.363 19.000 0.035 0.000 0.818 546 A HN 0.318 nan 8.150 nan 0.000 0.445 547 I N -1.036 119.454 120.570 -0.133 0.000 2.099 547 I HA -0.305 3.865 4.170 -0.001 0.000 0.239 547 I C 2.807 178.967 176.117 0.072 0.000 1.066 547 I CA 1.956 63.235 61.300 -0.036 0.000 1.324 547 I CB -0.325 37.640 38.000 -0.059 0.000 1.037 547 I HN 0.375 nan 8.210 nan 0.000 0.401 548 Q N 0.221 120.088 119.800 0.112 0.000 2.050 548 Q HA -0.269 4.070 4.340 -0.001 0.000 0.202 548 Q C 2.114 178.155 176.000 0.068 0.000 0.980 548 Q CA 1.901 57.840 55.803 0.226 0.000 0.840 548 Q CB -0.657 28.372 28.738 0.485 0.000 0.898 548 Q HN 0.545 nan 8.270 nan 0.000 0.424 549 Y N -0.502 119.641 120.300 -0.261 0.000 2.081 549 Y HA -0.323 4.227 4.550 -0.001 0.000 0.280 549 Y C 1.657 177.219 175.900 -0.564 0.000 1.163 549 Y CA 2.166 59.790 58.100 -0.792 0.000 1.135 549 Y CB -0.561 37.188 38.460 -1.185 0.000 0.970 549 Y HN 0.213 nan 8.280 nan 0.000 0.498 550 Y N -0.150 119.909 120.300 -0.403 0.000 2.293 550 Y HA -0.176 4.373 4.550 -0.001 0.000 0.291 550 Y C 2.428 178.171 175.900 -0.261 0.000 1.137 550 Y CA 1.168 59.037 58.100 -0.384 0.000 1.202 550 Y CB -0.795 37.502 38.460 -0.272 0.000 0.990 550 Y HN 0.174 nan 8.280 nan 0.000 0.537 551 L N -1.002 120.230 121.223 0.015 0.000 2.017 551 L HA -0.253 4.087 4.340 -0.001 0.000 0.208 551 L C 2.298 179.122 176.870 -0.077 0.000 1.073 551 L CA 1.267 56.131 54.840 0.039 0.000 0.745 551 L CB -0.750 41.376 42.059 0.111 0.000 0.894 551 L HN 0.217 nan 8.230 nan 0.000 0.432 552 L N -0.268 120.860 121.223 -0.158 0.000 2.046 552 L HA -0.255 4.085 4.340 -0.001 0.000 0.208 552 L C 2.713 179.413 176.870 -0.284 0.000 1.077 552 L CA 1.354 56.058 54.840 -0.226 0.000 0.747 552 L CB -0.450 41.478 42.059 -0.218 0.000 0.896 552 L HN 0.271 nan 8.230 nan 0.000 0.432 553 K N 0.197 120.352 120.400 -0.408 0.000 2.026 553 K HA -0.199 4.121 4.320 -0.001 0.000 0.208 553 K C 2.141 178.624 176.600 -0.195 0.000 1.048 553 K CA 1.396 57.459 56.287 -0.374 0.000 0.929 553 K CB -0.092 32.093 32.500 -0.524 0.000 0.713 553 K HN 0.272 nan 8.250 nan 0.000 0.439 554 A N 0.235 122.978 122.820 -0.128 0.000 1.902 554 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 554 A C 2.176 179.721 177.584 -0.065 0.000 1.181 554 A CA 2.155 54.157 52.037 -0.059 0.000 0.623 554 A CB -0.795 18.203 19.000 -0.002 0.000 0.818 554 A HN 0.410 nan 8.150 nan 0.000 0.443 555 S N -0.398 115.248 115.700 -0.090 0.000 2.387 555 S HA -0.156 4.314 4.470 -0.001 0.000 0.226 555 S C 2.055 176.576 174.600 -0.131 0.000 1.026 555 S CA 1.196 59.336 58.200 -0.099 0.000 0.972 555 S CB -0.622 62.511 63.200 -0.112 0.000 0.814 555 S HN 0.740 nan 8.310 nan 0.000 0.477 556 N N 0.413 119.019 118.700 -0.155 0.000 2.069 556 N HA -0.153 4.587 4.740 -0.001 0.000 0.191 556 N C 1.475 176.900 175.510 -0.142 0.000 1.031 556 N CA 1.394 54.351 53.050 -0.155 0.000 0.852 556 N CB -0.141 38.255 38.487 -0.151 0.000 1.018 556 N HN 0.430 nan 8.380 nan 0.000 0.423 557 E N 0.905 121.029 120.200 -0.126 0.000 2.077 557 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 557 E C 2.069 178.617 176.600 -0.087 0.000 0.989 557 E CA 0.463 56.796 56.400 -0.111 0.000 0.800 557 E CB -0.433 29.223 29.700 -0.072 0.000 0.746 557 E HN 0.344 nan 8.360 nan 0.000 0.452 558 L N 1.174 122.356 121.223 -0.069 0.000 2.083 558 L HA -0.095 4.244 4.340 -0.001 0.000 0.209 558 L C 2.225 179.043 176.870 -0.087 0.000 1.083 558 L CA 1.887 56.691 54.840 -0.059 0.000 0.752 558 L CB -0.801 41.231 42.059 -0.045 0.000 0.899 558 L HN 0.034 nan 8.230 nan 0.000 0.433 559 A N -0.624 122.130 122.820 -0.110 0.000 1.877 559 A HA -0.246 4.074 4.320 -0.001 0.000 0.216 559 A C 2.321 179.849 177.584 -0.092 0.000 1.186 559 A CA 1.962 53.925 52.037 -0.123 0.000 0.620 559 A CB -0.517 18.373 19.000 -0.184 0.000 0.822 559 A HN 0.493 nan 8.150 nan 0.000 0.443 560 K N -0.706 119.630 120.400 -0.106 0.000 2.063 560 K HA -0.211 4.109 4.320 -0.001 0.000 0.208 560 K C 2.134 178.687 176.600 -0.080 0.000 1.048 560 K CA 1.679 57.897 56.287 -0.115 0.000 0.928 560 K CB -0.121 32.224 32.500 -0.259 0.000 0.713 560 K HN 0.741 nan 8.250 nan 0.000 0.442 561 E N 0.484 120.635 120.200 -0.083 0.000 2.122 561 E HA -0.136 4.213 4.350 -0.001 0.000 0.190 561 E C 1.420 177.971 176.600 -0.080 0.000 0.977 561 E CA 0.874 57.230 56.400 -0.072 0.000 0.820 561 E CB 0.382 30.044 29.700 -0.062 0.000 0.770 561 E HN 0.290 nan 8.360 nan 0.000 0.462 562 Q N -0.986 118.763 119.800 -0.085 0.000 2.157 562 Q HA 0.254 4.593 4.340 -0.001 0.000 0.235 562 Q C -0.421 175.532 176.000 -0.078 0.000 0.803 562 Q CA 0.243 55.990 55.803 -0.093 0.000 0.967 562 Q CB 2.254 30.923 28.738 -0.115 0.000 1.150 562 Q HN 0.254 nan 8.270 nan 0.000 0.482 563 G N 1.304 110.061 108.800 -0.072 0.000 2.906 563 G HA2 0.082 4.041 3.960 -0.001 0.000 0.686 563 G HA3 0.082 4.041 3.960 -0.001 0.000 0.686 563 G C -0.497 174.347 174.900 -0.092 0.000 1.170 563 G CA -0.570 44.489 45.100 -0.068 0.000 0.775 563 G HN 0.280 nan 8.290 nan 0.000 0.630 564 A N 1.165 123.912 122.820 -0.120 0.000 2.448 564 A HA 0.597 4.917 4.320 -0.001 0.000 0.239 564 A C 1.664 179.216 177.584 -0.053 0.000 1.080 564 A CA 0.596 52.529 52.037 -0.173 0.000 0.779 564 A CB -0.281 18.519 19.000 -0.333 0.000 1.026 564 A HN 2.544 nan 8.150 nan 0.000 0.499 565 C N 0.203 119.506 119.300 0.006 0.000 2.662 565 C HA 0.389 4.848 4.460 -0.001 0.000 0.420 565 C C -1.085 173.959 174.990 0.089 0.000 1.314 565 C CA -1.033 58.005 59.018 0.032 0.000 1.963 565 C CB -0.240 27.538 27.740 0.063 0.000 2.686 565 C HN 0.693 nan 8.230 nan 0.000 0.609 566 P HA -0.129 nan 4.420 nan 0.000 0.218 566 P C 0.662 178.142 177.300 0.300 0.000 1.154 566 P CA 1.935 65.063 63.100 0.046 0.000 0.872 566 P CB -0.056 31.536 31.700 -0.179 0.000 0.790 567 W N -2.315 119.055 121.300 0.117 0.000 3.151 567 W HA 0.344 5.003 4.660 -0.001 0.000 0.424 567 W C 1.273 177.884 176.519 0.153 0.000 1.012 567 W CA -1.372 56.042 57.345 0.115 0.000 2.018 567 W CB -1.710 27.802 29.460 0.087 0.000 1.087 567 W HN -0.057 nan 8.180 nan 0.000 0.740 568 F N 3.262 123.354 119.950 0.237 0.000 2.154 568 F HA -0.316 4.211 4.527 -0.001 0.000 0.301 568 F C 2.196 178.093 175.800 0.160 0.000 1.087 568 F CA 2.231 60.330 58.000 0.165 0.000 1.274 568 F CB -0.363 38.695 39.000 0.097 0.000 1.009 568 F HN -0.024 nan 8.300 nan 0.000 0.485 569 N N 0.642 119.391 118.700 0.082 0.000 2.519 569 N HA -0.218 4.522 4.740 -0.001 0.000 0.186 569 N C 1.025 176.490 175.510 -0.076 0.000 1.062 569 N CA 1.535 54.565 53.050 -0.032 0.000 0.910 569 N CB -0.746 37.789 38.487 0.080 0.000 0.958 569 N HN 0.565 nan 8.380 nan 0.000 0.445 570 E N 0.314 120.505 120.200 -0.015 0.000 2.479 570 E HA -0.002 4.347 4.350 -0.001 0.000 0.193 570 E C 0.224 176.845 176.600 0.036 0.000 1.049 570 E CA 0.147 56.564 56.400 0.029 0.000 0.870 570 E CB 0.354 30.109 29.700 0.093 0.000 0.944 570 E HN 0.516 nan 8.360 nan 0.000 0.492 571 T N -1.287 113.194 114.554 -0.122 0.000 2.913 571 T HA 0.075 4.425 4.350 -0.001 0.000 0.287 571 T C 1.540 176.110 174.700 -0.218 0.000 1.008 571 T CA -0.241 61.743 62.100 -0.194 0.000 1.067 571 T CB 1.625 70.327 68.868 -0.278 0.000 0.996 571 T HN -0.004 nan 8.240 nan 0.000 0.513 572 T N -0.352 114.071 114.554 -0.218 0.000 2.881 572 T HA -0.169 4.180 4.350 -0.001 0.000 0.270 572 T C 1.434 176.007 174.700 -0.210 0.000 1.068 572 T CA 0.932 62.904 62.100 -0.213 0.000 1.131 572 T CB -0.966 67.749 68.868 -0.255 0.000 0.871 572 T HN 0.657 nan 8.240 nan 0.000 0.479 573 Y N 2.249 122.451 120.300 -0.164 0.000 2.193 573 Y HA 0.011 4.561 4.550 -0.001 0.000 0.285 573 Y C 2.988 178.855 175.900 -0.055 0.000 1.166 573 Y CA 0.621 58.684 58.100 -0.062 0.000 1.181 573 Y CB -1.025 37.450 38.460 0.025 0.000 0.976 573 Y HN 0.372 nan 8.280 nan 0.000 0.520 574 A N -0.048 122.630 122.820 -0.237 0.000 1.969 574 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 574 A C 1.919 179.522 177.584 0.031 0.000 1.169 574 A CA 1.319 53.235 52.037 -0.202 0.000 0.635 574 A CB -0.422 18.279 19.000 -0.499 0.000 0.810 574 A HN 0.395 nan 8.150 nan 0.000 0.445 575 K N -0.754 119.639 120.400 -0.013 0.000 2.546 575 K HA 0.234 4.554 4.320 -0.001 0.000 0.198 575 K C 0.883 177.510 176.600 0.045 0.000 1.028 575 K CA 0.377 56.672 56.287 0.013 0.000 1.150 575 K CB -0.237 32.251 32.500 -0.019 0.000 0.876 575 K HN 0.596 nan 8.250 nan 0.000 0.508 576 G N 1.981 110.838 108.800 0.095 0.000 2.179 576 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.257 576 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.257 576 G C 0.073 175.027 174.900 0.090 0.000 1.010 576 G CA 0.017 45.190 45.100 0.121 0.000 0.736 576 G HN 0.311 nan 8.290 nan 0.000 0.513 577 I N 0.294 120.883 120.570 0.030 0.000 2.365 577 I HA 0.525 4.694 4.170 -0.001 0.000 0.291 577 I C 0.805 176.876 176.117 -0.076 0.000 1.004 577 I CA -0.659 60.623 61.300 -0.030 0.000 1.311 577 I CB 1.123 39.069 38.000 -0.091 0.000 1.401 577 I HN -0.018 nan 8.210 nan 0.000 0.491 578 L N 7.393 128.610 121.223 -0.009 0.000 2.303 578 L HA 0.462 4.802 4.340 -0.001 0.000 0.266 578 L C -1.458 175.395 176.870 -0.029 0.000 1.011 578 L CA -1.605 53.265 54.840 0.050 0.000 0.818 578 L CB 1.810 44.026 42.059 0.262 0.000 1.326 578 L HN 0.344 nan 8.230 nan 0.000 0.435 579 P HA -0.178 nan 4.420 nan 0.000 0.218 579 P C 1.414 178.732 177.300 0.030 0.000 1.148 579 P CA 1.511 64.630 63.100 0.032 0.000 0.822 579 P CB -0.056 31.686 31.700 0.069 0.000 0.784 580 I N -3.246 117.224 120.570 -0.167 0.000 2.916 580 I HA -0.076 4.094 4.170 -0.001 0.000 0.267 580 I C 0.980 177.131 176.117 0.057 0.000 1.263 580 I CA 1.408 62.592 61.300 -0.193 0.000 1.471 580 I CB -0.737 36.977 38.000 -0.478 0.000 1.089 580 I HN -0.227 nan 8.210 nan 0.000 0.468 581 D N 1.250 121.655 120.400 0.009 0.000 2.301 581 D HA -0.036 4.604 4.640 -0.001 0.000 0.206 581 D C 1.994 178.221 176.300 -0.122 0.000 0.979 581 D CA 1.685 55.660 54.000 -0.040 0.000 0.874 581 D CB 0.197 40.980 40.800 -0.028 0.000 0.968 581 D HN 0.570 nan 8.370 nan 0.000 0.510 582 T N -1.963 112.554 114.554 -0.062 0.000 3.084 582 T HA 0.097 4.446 4.350 -0.001 0.000 0.270 582 T C 0.697 175.229 174.700 -0.280 0.000 1.008 582 T CA -0.712 61.332 62.100 -0.094 0.000 0.900 582 T CB -0.670 68.241 68.868 0.071 0.000 1.084 582 T HN 0.109 nan 8.240 nan 0.000 0.538 583 Y N 1.237 121.245 120.300 -0.487 0.000 2.379 583 Y HA 0.628 5.177 4.550 -0.001 0.000 0.337 583 Y C 0.461 176.040 175.900 -0.536 0.000 1.238 583 Y CA -1.958 55.594 58.100 -0.913 0.000 1.405 583 Y CB 0.455 38.465 38.460 -0.750 0.000 1.310 583 Y HN -0.202 nan 8.280 nan 0.000 0.569 584 K N 2.879 123.021 120.400 -0.430 0.000 2.430 584 K HA -0.017 4.302 4.320 -0.001 0.000 0.280 584 K C 0.507 177.005 176.600 -0.171 0.000 1.063 584 K CA 0.511 56.604 56.287 -0.322 0.000 1.071 584 K CB 0.348 32.642 32.500 -0.345 0.000 0.899 584 K HN 0.841 nan 8.250 nan 0.000 0.473 585 K N 2.542 122.788 120.400 -0.257 0.000 2.103 585 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 585 K C 0.685 177.291 176.600 0.011 0.000 1.048 585 K CA 1.961 58.140 56.287 -0.179 0.000 0.930 585 K CB 0.016 32.401 32.500 -0.193 0.000 0.716 585 K HN 0.646 nan 8.250 nan 0.000 0.444 586 D N 1.159 121.564 120.400 0.009 0.000 2.280 586 D HA -0.184 4.455 4.640 -0.001 0.000 0.206 586 D C 1.491 177.931 176.300 0.234 0.000 0.988 586 D CA 0.857 54.914 54.000 0.094 0.000 0.886 586 D CB -0.179 40.627 40.800 0.010 0.000 0.914 586 D HN 0.158 nan 8.370 nan 0.000 0.473 587 L N 0.495 121.845 121.223 0.212 0.000 2.191 587 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 587 L C 1.545 178.469 176.870 0.089 0.000 1.103 587 L CA 0.878 55.802 54.840 0.140 0.000 0.769 587 L CB -0.305 41.786 42.059 0.052 0.000 0.908 587 L HN 0.021 nan 8.230 nan 0.000 0.438 588 D N -0.480 119.998 120.400 0.130 0.000 2.218 588 D HA -0.154 4.486 4.640 -0.001 0.000 0.204 588 D C 2.193 178.519 176.300 0.044 0.000 0.976 588 D CA 1.846 55.891 54.000 0.075 0.000 0.853 588 D CB -0.162 40.687 40.800 0.082 0.000 0.939 588 D HN 0.406 nan 8.370 nan 0.000 0.481 589 T N -1.233 113.368 114.554 0.077 0.000 3.085 589 T HA -0.024 4.325 4.350 -0.001 0.000 0.263 589 T C 1.826 176.556 174.700 0.050 0.000 1.127 589 T CA 0.370 62.514 62.100 0.074 0.000 1.103 589 T CB -0.386 68.553 68.868 0.118 0.000 0.921 589 T HN 0.429 nan 8.240 nan 0.000 0.510 590 I N -2.659 117.916 120.570 0.008 0.000 4.338 590 I HA 0.777 4.947 4.170 -0.001 0.000 0.329 590 I C 0.281 176.352 176.117 -0.077 0.000 1.378 590 I CA -1.095 60.166 61.300 -0.065 0.000 1.170 590 I CB 0.506 38.371 38.000 -0.225 0.000 1.206 590 I HN 0.217 nan 8.210 nan 0.000 0.432 591 A N 2.378 125.161 122.820 -0.063 0.000 2.574 591 A HA 0.666 4.985 4.320 -0.001 0.000 0.297 591 A C -0.726 176.786 177.584 -0.120 0.000 1.062 591 A CA -0.490 51.497 52.037 -0.083 0.000 0.686 591 A CB 1.053 20.017 19.000 -0.060 0.000 1.285 591 A HN 0.321 nan 8.150 nan 0.000 0.403 592 N N 0.479 119.090 118.700 -0.149 0.000 2.305 592 N HA 0.135 4.875 4.740 -0.001 0.000 0.248 592 N C -0.398 174.977 175.510 -0.225 0.000 1.290 592 N CA -0.261 52.693 53.050 -0.160 0.000 0.873 592 N CB 0.450 38.883 38.487 -0.090 0.000 1.261 592 N HN 0.614 nan 8.380 nan 0.000 0.504 593 E N 3.048 123.038 120.200 -0.350 0.000 2.415 593 E HA 0.185 4.535 4.350 -0.001 0.000 0.263 593 E C -2.092 174.233 176.600 -0.458 0.000 0.995 593 E CA -1.217 54.965 56.400 -0.363 0.000 0.915 593 E CB 0.767 30.266 29.700 -0.336 0.000 0.951 593 E HN 0.269 nan 8.360 nan 0.000 0.449 594 P HA 0.109 nan 4.420 nan 0.000 0.276 594 P C -0.564 176.488 177.300 -0.414 0.000 1.252 594 P CA -0.350 62.568 63.100 -0.302 0.000 0.802 594 P CB 0.619 32.185 31.700 -0.223 0.000 1.035 595 L N 2.339 123.446 121.223 -0.193 0.000 2.410 595 L HA 0.100 4.439 4.340 -0.001 0.000 0.273 595 L C 1.782 178.499 176.870 -0.254 0.000 1.152 595 L CA -0.210 54.577 54.840 -0.088 0.000 0.855 595 L CB -0.098 42.017 42.059 0.095 0.000 1.129 595 L HN 0.467 nan 8.230 nan 0.000 0.463 596 H N 2.087 121.123 119.070 -0.058 0.000 2.654 596 H HA 0.150 4.706 4.556 -0.001 0.000 0.264 596 H C -0.365 174.628 175.328 -0.559 0.000 0.954 596 H CA 0.228 56.073 56.048 -0.339 0.000 1.199 596 H CB 0.285 29.737 29.762 -0.518 0.000 1.446 596 H HN 0.408 nan 8.280 nan 0.000 0.516 597 Y N 0.574 120.820 120.300 -0.089 0.000 2.534 597 Y HA 0.195 4.744 4.550 -0.001 0.000 0.329 597 Y C 0.662 176.410 175.900 -0.254 0.000 1.154 597 Y CA -1.194 56.609 58.100 -0.495 0.000 1.192 597 Y CB 0.989 38.563 38.460 -1.477 0.000 1.275 597 Y HN -0.149 nan 8.280 nan 0.000 0.491 598 D N 1.166 121.478 120.400 -0.148 0.000 2.508 598 D HA 0.029 4.668 4.640 -0.001 0.000 0.224 598 D C -0.073 176.326 176.300 0.165 0.000 1.171 598 D CA -0.055 53.985 54.000 0.066 0.000 1.006 598 D CB -0.188 40.659 40.800 0.077 0.000 1.073 598 D HN 0.508 nan 8.370 nan 0.000 0.513 599 W N 1.341 122.742 121.300 0.169 0.000 2.519 599 W HA -0.037 4.622 4.660 -0.001 0.000 0.266 599 W C 1.989 178.616 176.519 0.179 0.000 1.253 599 W CA 0.008 57.491 57.345 0.231 0.000 1.274 599 W CB 0.275 29.860 29.460 0.208 0.000 1.114 599 W HN 0.300 nan 8.180 nan 0.000 0.596 600 E N 0.038 120.435 120.200 0.328 0.000 2.107 600 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 600 E C 2.273 178.980 176.600 0.179 0.000 0.982 600 E CA 1.392 57.927 56.400 0.224 0.000 0.809 600 E CB -0.993 28.807 29.700 0.166 0.000 0.756 600 E HN 0.227 nan 8.360 nan 0.000 0.459 601 A N 1.254 124.171 122.820 0.161 0.000 1.933 601 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 601 A C 2.229 179.886 177.584 0.122 0.000 1.175 601 A CA 1.183 53.296 52.037 0.127 0.000 0.628 601 A CB -0.515 18.553 19.000 0.112 0.000 0.814 601 A HN 0.239 nan 8.150 nan 0.000 0.444 602 L N -0.098 121.207 121.223 0.136 0.000 2.056 602 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 602 L C 2.399 179.347 176.870 0.131 0.000 1.078 602 L CA 2.243 57.128 54.840 0.075 0.000 0.749 602 L CB -0.669 41.380 42.059 -0.016 0.000 0.901 602 L HN 0.461 nan 8.230 nan 0.000 0.433 603 R N -0.641 119.982 120.500 0.206 0.000 2.103 603 R HA -0.191 4.149 4.340 -0.001 0.000 0.242 603 R C 1.983 178.384 176.300 0.167 0.000 1.142 603 R CA 1.774 58.005 56.100 0.218 0.000 0.960 603 R CB -0.097 30.337 30.300 0.224 0.000 0.858 603 R HN 0.448 nan 8.270 nan 0.000 0.439 604 E N -0.307 119.976 120.200 0.137 0.000 2.112 604 E HA -0.090 4.259 4.350 -0.001 0.000 0.190 604 E C 1.892 178.559 176.600 0.112 0.000 0.979 604 E CA 0.875 57.342 56.400 0.111 0.000 0.814 604 E CB -0.315 29.442 29.700 0.096 0.000 0.762 604 E HN 0.204 nan 8.360 nan 0.000 0.460 605 S N 0.404 116.178 115.700 0.123 0.000 2.382 605 S HA -0.066 4.403 4.470 -0.001 0.000 0.228 605 S C 2.041 176.731 174.600 0.149 0.000 1.027 605 S CA 0.591 58.889 58.200 0.164 0.000 0.991 605 S CB -0.101 63.158 63.200 0.099 0.000 0.823 605 S HN 0.137 nan 8.310 nan 0.000 0.469 606 I N 0.824 121.463 120.570 0.116 0.000 2.233 606 I HA -0.125 4.045 4.170 -0.001 0.000 0.243 606 I C 2.582 178.803 176.117 0.173 0.000 1.093 606 I CA 1.040 62.412 61.300 0.120 0.000 1.380 606 I CB -0.305 37.808 38.000 0.189 0.000 1.067 606 I HN 0.206 nan 8.210 nan 0.000 0.413 607 K N 0.196 120.710 120.400 0.190 0.000 2.107 607 K HA -0.230 4.090 4.320 -0.001 0.000 0.211 607 K C 2.020 178.671 176.600 0.084 0.000 1.049 607 K CA 2.296 58.684 56.287 0.168 0.000 0.927 607 K CB -0.164 32.410 32.500 0.122 0.000 0.714 607 K HN 0.385 nan 8.250 nan 0.000 0.452 608 T N -1.214 113.336 114.554 -0.007 0.000 2.866 608 T HA -0.024 4.326 4.350 -0.001 0.000 0.250 608 T C 1.226 175.712 174.700 -0.357 0.000 1.033 608 T CA 1.121 63.099 62.100 -0.203 0.000 1.145 608 T CB -0.136 68.537 68.868 -0.325 0.000 0.866 608 T HN 0.344 nan 8.240 nan 0.000 0.434 609 H N 0.153 119.182 119.070 -0.069 0.000 2.648 609 H HA 0.494 5.050 4.556 -0.001 0.000 0.265 609 H C 1.421 176.572 175.328 -0.296 0.000 0.961 609 H CA 0.187 56.154 56.048 -0.136 0.000 1.185 609 H CB 0.057 29.752 29.762 -0.112 0.000 1.449 609 H HN 0.533 nan 8.280 nan 0.000 0.523 610 G N 0.556 109.160 108.800 -0.327 0.000 2.698 610 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.233 610 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.233 610 G C -0.748 173.709 174.900 -0.738 0.000 1.352 610 G CA -0.342 44.125 45.100 -1.056 0.000 0.879 610 G HN 0.209 nan 8.290 nan 0.000 0.567 611 L N -0.494 120.156 121.223 -0.956 0.000 2.346 611 L HA 0.598 4.937 4.340 -0.001 0.000 0.274 611 L C 1.493 178.218 176.870 -0.240 0.000 1.007 611 L CA -0.948 53.682 54.840 -0.350 0.000 0.818 611 L CB 1.873 43.842 42.059 -0.151 0.000 1.284 611 L HN 0.683 nan 8.230 nan 0.000 0.424 612 R N 1.713 122.120 120.500 -0.155 0.000 2.193 612 R HA -0.035 4.305 4.340 -0.001 0.000 0.229 612 R C -0.426 175.852 176.300 -0.038 0.000 1.110 612 R CA 1.234 57.278 56.100 -0.094 0.000 0.988 612 R CB -0.199 30.051 30.300 -0.083 0.000 0.871 612 R HN 0.718 nan 8.270 nan 0.000 0.458 613 N N -1.598 117.088 118.700 -0.023 0.000 2.310 613 N HA 0.190 4.930 4.740 -0.001 0.000 0.292 613 N C -0.588 174.948 175.510 0.043 0.000 1.049 613 N CA -0.342 52.717 53.050 0.014 0.000 0.849 613 N CB 2.342 40.824 38.487 -0.009 0.000 1.532 613 N HN -0.184 nan 8.380 nan 0.000 0.479 614 S N -0.235 115.531 115.700 0.110 0.000 2.453 614 S HA -0.035 4.435 4.470 -0.001 0.000 0.231 614 S C 0.786 175.381 174.600 -0.009 0.000 1.005 614 S CA 0.817 59.076 58.200 0.097 0.000 0.949 614 S CB -0.157 63.189 63.200 0.244 0.000 0.774 614 S HN 0.815 nan 8.310 nan 0.000 0.510 615 T N -1.743 112.844 114.554 0.055 0.000 2.909 615 T HA 0.712 5.061 4.350 -0.001 0.000 0.299 615 T C 0.133 174.858 174.700 0.043 0.000 1.073 615 T CA -0.797 61.337 62.100 0.058 0.000 0.999 615 T CB 1.613 70.553 68.868 0.120 0.000 1.098 615 T HN -0.056 nan 8.240 nan 0.000 0.477 616 L N 1.210 122.461 121.223 0.046 0.000 2.730 616 L HA 0.370 4.710 4.340 -0.001 0.000 0.236 616 L C 0.898 177.796 176.870 0.046 0.000 1.061 616 L CA -0.058 54.803 54.840 0.036 0.000 0.898 616 L CB 0.594 42.669 42.059 0.028 0.000 1.270 616 L HN 0.901 nan 8.230 nan 0.000 0.500 617 S N -0.068 115.676 115.700 0.074 0.000 2.513 617 S HA 0.897 5.367 4.470 -0.001 0.000 0.299 617 S C -0.543 174.096 174.600 0.064 0.000 1.087 617 S CA -0.359 57.890 58.200 0.081 0.000 1.012 617 S CB 2.586 65.874 63.200 0.147 0.000 1.044 617 S HN 0.123 nan 8.310 nan 0.000 0.485 618 A N 2.519 125.365 122.820 0.044 0.000 2.555 618 A HA 0.610 4.929 4.320 -0.001 0.000 0.297 618 A C -1.327 176.267 177.584 0.016 0.000 1.060 618 A CA -0.819 51.230 52.037 0.021 0.000 0.710 618 A CB 0.937 19.938 19.000 0.000 0.000 1.282 618 A HN 0.882 nan 8.150 nan 0.000 0.399 619 L N 4.428 125.653 121.223 0.003 0.000 2.297 619 L HA 0.423 4.762 4.340 -0.001 0.000 0.277 619 L C 0.359 177.214 176.870 -0.025 0.000 1.040 619 L CA -0.534 54.309 54.840 0.006 0.000 0.867 619 L CB 0.861 42.916 42.059 -0.006 0.000 1.244 619 L HN 0.845 nan 8.230 nan 0.000 0.433 620 M N 2.667 122.255 119.600 -0.020 0.000 2.368 620 M HA 0.692 5.171 4.480 -0.001 0.000 0.311 620 M C -2.736 173.559 176.300 -0.009 0.000 1.168 620 M CA -2.024 53.245 55.300 -0.051 0.000 1.044 620 M CB 0.165 32.741 32.600 -0.040 0.000 1.506 620 M HN 0.005 nan 8.290 nan 0.000 0.475 621 P HA 0.386 nan 4.420 nan 0.000 0.276 621 P C -1.036 176.310 177.300 0.077 0.000 1.244 621 P CA -0.317 62.819 63.100 0.060 0.000 0.801 621 P CB 0.803 32.556 31.700 0.087 0.000 1.006 622 S N -0.814 114.951 115.700 0.109 0.000 2.599 622 S HA 0.648 5.118 4.470 -0.001 0.000 0.287 622 S C 0.150 174.819 174.600 0.115 0.000 1.105 622 S CA -0.324 57.941 58.200 0.107 0.000 0.899 622 S CB 2.697 65.962 63.200 0.108 0.000 1.100 622 S HN 0.502 nan 8.310 nan 0.000 0.482 623 E N 0.612 120.875 120.200 0.105 0.000 3.590 623 E HA 0.155 4.505 4.350 -0.001 0.000 0.223 623 E C 1.377 178.020 176.600 0.071 0.000 1.195 623 E CA 0.580 57.035 56.400 0.092 0.000 1.670 623 E CB -0.361 29.398 29.700 0.098 0.000 1.578 623 E HN 0.600 nan 8.360 nan 0.000 0.763 624 T N 0.361 114.964 114.554 0.081 0.000 2.737 624 T HA -0.091 4.258 4.350 -0.001 0.000 0.265 624 T C 1.814 176.548 174.700 0.057 0.000 1.038 624 T CA 1.774 63.912 62.100 0.064 0.000 1.144 624 T CB -0.310 68.627 68.868 0.115 0.000 0.866 624 T HN 0.183 nan 8.240 nan 0.000 0.434 625 S N 1.719 117.490 115.700 0.118 0.000 2.387 625 S HA -0.035 4.434 4.470 -0.001 0.000 0.226 625 S C 2.434 177.087 174.600 0.088 0.000 1.026 625 S CA 0.737 59.024 58.200 0.145 0.000 0.972 625 S CB -0.418 62.889 63.200 0.179 0.000 0.814 625 S HN 0.364 nan 8.310 nan 0.000 0.477 626 S N 2.150 117.897 115.700 0.079 0.000 2.370 626 S HA -0.182 4.288 4.470 -0.001 0.000 0.226 626 S C 2.048 176.655 174.600 0.011 0.000 1.033 626 S CA 1.206 59.443 58.200 0.061 0.000 1.011 626 S CB -0.377 62.874 63.200 0.084 0.000 0.852 626 S HN 0.540 nan 8.310 nan 0.000 0.457 627 Q N 0.191 119.988 119.800 -0.004 0.000 2.119 627 Q HA -0.023 4.317 4.340 -0.001 0.000 0.201 627 Q C 2.094 178.044 176.000 -0.083 0.000 0.972 627 Q CA 0.940 56.717 55.803 -0.043 0.000 0.847 627 Q CB -0.225 28.483 28.738 -0.051 0.000 0.903 627 Q HN 0.469 nan 8.270 nan 0.000 0.433 628 I N 0.247 120.762 120.570 -0.091 0.000 2.264 628 I HA -0.213 3.957 4.170 -0.001 0.000 0.248 628 I C 1.753 177.757 176.117 -0.187 0.000 1.111 628 I CA 1.322 62.574 61.300 -0.081 0.000 1.382 628 I CB -0.685 37.301 38.000 -0.023 0.000 1.060 628 I HN 0.070 nan 8.210 nan 0.000 0.418 629 S N 0.019 115.546 115.700 -0.288 0.000 2.558 629 S HA -0.010 4.460 4.470 -0.001 0.000 0.217 629 S C 0.825 175.210 174.600 -0.358 0.000 0.975 629 S CA -0.107 57.733 58.200 -0.601 0.000 0.912 629 S CB -0.524 62.529 63.200 -0.245 0.000 0.776 629 S HN 0.512 nan 8.310 nan 0.000 0.526 630 N N 1.106 119.699 118.700 -0.179 0.000 2.705 630 N HA -0.222 4.517 4.740 -0.001 0.000 0.255 630 N C -0.360 175.114 175.510 -0.061 0.000 1.008 630 N CA 0.163 53.164 53.050 -0.082 0.000 0.742 630 N CB -0.821 37.645 38.487 -0.036 0.000 0.906 630 N HN 0.449 nan 8.380 nan 0.000 0.541 631 A N 0.793 123.599 122.820 -0.022 0.000 2.320 631 A HA 0.607 4.926 4.320 -0.001 0.000 0.334 631 A C 0.664 178.307 177.584 0.099 0.000 1.147 631 A CA 0.047 52.112 52.037 0.046 0.000 0.820 631 A CB 0.995 20.045 19.000 0.085 0.000 1.218 631 A HN 0.484 nan 8.150 nan 0.000 0.482 632 T N 0.068 114.729 114.554 0.178 0.000 2.926 632 T HA 0.228 4.578 4.350 -0.001 0.000 0.307 632 T C 0.029 174.855 174.700 0.209 0.000 1.059 632 T CA -0.292 61.934 62.100 0.210 0.000 1.122 632 T CB -0.355 68.705 68.868 0.320 0.000 0.972 632 T HN 0.584 nan 8.240 nan 0.000 0.545 633 N N 1.835 120.642 118.700 0.180 0.000 2.470 633 N HA 0.466 5.205 4.740 -0.001 0.000 0.268 633 N C 1.365 177.004 175.510 0.215 0.000 1.136 633 N CA 0.272 53.424 53.050 0.171 0.000 0.961 633 N CB 0.521 39.092 38.487 0.140 0.000 1.067 633 N HN 1.079 nan 8.380 nan 0.000 0.468 634 G N 2.479 111.401 108.800 0.203 0.000 2.652 634 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.318 634 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.318 634 G C 0.712 175.792 174.900 0.300 0.000 1.295 634 G CA 0.823 46.049 45.100 0.210 0.000 0.999 634 G HN 0.790 nan 8.290 nan 0.000 0.548 635 I N -1.508 119.235 120.570 0.289 0.000 3.875 635 I HA 0.450 4.620 4.170 -0.001 0.000 0.329 635 I C 0.175 176.662 176.117 0.617 0.000 1.295 635 I CA -0.025 61.517 61.300 0.403 0.000 1.129 635 I CB 0.260 38.303 38.000 0.072 0.000 1.008 635 I HN 0.092 nan 8.210 nan 0.000 0.413 636 E N 3.517 123.969 120.200 0.420 0.000 2.313 636 E HA 0.337 4.686 4.350 -0.001 0.000 0.276 636 E C -2.287 174.419 176.600 0.177 0.000 1.031 636 E CA -2.377 54.182 56.400 0.265 0.000 0.857 636 E CB 0.292 30.077 29.700 0.141 0.000 1.040 636 E HN 0.103 nan 8.360 nan 0.000 0.408 637 P HA 0.108 nan 4.420 nan 0.000 0.268 637 P C -2.375 174.857 177.300 -0.113 0.000 1.205 637 P CA -1.073 61.902 63.100 -0.208 0.000 0.771 637 P CB -0.278 31.083 31.700 -0.565 0.000 0.858 638 P HA 0.164 nan 4.420 nan 0.000 0.271 638 P C 0.648 177.838 177.300 -0.185 0.000 1.216 638 P CA -0.033 63.016 63.100 -0.086 0.000 0.776 638 P CB 0.984 32.632 31.700 -0.087 0.000 0.881 639 R N 1.421 121.819 120.500 -0.169 0.000 2.081 639 R HA 0.071 4.411 4.340 -0.001 0.000 0.235 639 R C 1.401 177.625 176.300 -0.128 0.000 1.131 639 R CA 1.521 57.518 56.100 -0.172 0.000 0.960 639 R CB -0.363 29.917 30.300 -0.033 0.000 0.856 639 R HN 0.647 nan 8.270 nan 0.000 0.436 640 G N -2.420 106.293 108.800 -0.145 0.000 2.788 640 G HA2 0.287 4.247 3.960 -0.001 0.000 0.293 640 G HA3 0.287 4.247 3.960 -0.001 0.000 0.293 640 G C -0.748 174.009 174.900 -0.238 0.000 1.392 640 G CA -0.701 44.268 45.100 -0.218 0.000 0.810 640 G HN -0.015 nan 8.290 nan 0.000 0.508 641 Y N -0.915 119.361 120.300 -0.039 0.000 2.457 641 Y HA 0.252 4.802 4.550 -0.001 0.000 0.292 641 Y C 1.216 177.038 175.900 -0.130 0.000 1.125 641 Y CA 0.182 58.231 58.100 -0.085 0.000 1.254 641 Y CB 0.234 38.663 38.460 -0.052 0.000 1.012 641 Y HN 0.085 nan 8.280 nan 0.000 0.555 642 V N -0.318 119.617 119.914 0.034 0.000 2.483 642 V HA 0.334 4.454 4.120 -0.001 0.000 0.297 642 V C -0.168 175.923 176.094 -0.006 0.000 1.027 642 V CA -1.176 61.118 62.300 -0.011 0.000 0.855 642 V CB 1.650 33.452 31.823 -0.034 0.000 0.995 642 V HN -0.003 nan 8.190 nan 0.000 0.424 643 S N 4.590 120.287 115.700 -0.005 0.000 2.585 643 S HA 0.809 5.279 4.470 -0.001 0.000 0.277 643 S C -0.679 173.924 174.600 0.006 0.000 1.241 643 S CA -0.342 57.860 58.200 0.002 0.000 1.041 643 S CB 0.732 63.934 63.200 0.004 0.000 0.987 643 S HN 0.542 nan 8.310 nan 0.000 0.512 644 I N 3.145 123.722 120.570 0.012 0.000 2.499 644 I HA 0.473 4.643 4.170 -0.001 0.000 0.288 644 I C -0.910 175.217 176.117 0.018 0.000 1.048 644 I CA -0.508 60.801 61.300 0.015 0.000 1.062 644 I CB 2.124 40.132 38.000 0.012 0.000 1.238 644 I HN 0.457 nan 8.210 nan 0.000 0.426 645 K N 4.413 124.825 120.400 0.020 0.000 2.397 645 K HA 0.786 5.105 4.320 -0.001 0.000 0.253 645 K C -0.737 175.877 176.600 0.022 0.000 0.932 645 K CA -0.431 55.868 56.287 0.019 0.000 0.795 645 K CB 2.139 34.646 32.500 0.011 0.000 1.159 645 K HN 0.579 nan 8.250 nan 0.000 0.424 646 A N 1.713 124.545 122.820 0.021 0.000 2.371 646 A HA 0.596 4.916 4.320 -0.001 0.000 0.257 646 A C -0.280 177.316 177.584 0.021 0.000 1.089 646 A CA 0.144 52.194 52.037 0.022 0.000 0.794 646 A CB 0.114 19.126 19.000 0.020 0.000 1.029 646 A HN 0.783 nan 8.150 nan 0.000 0.488 647 S N 0.547 116.262 115.700 0.025 0.000 2.615 647 S HA 0.411 4.881 4.470 -0.001 0.000 0.269 647 S C 0.463 175.080 174.600 0.027 0.000 1.161 647 S CA -0.140 58.074 58.200 0.023 0.000 0.817 647 S CB 1.133 64.344 63.200 0.017 0.000 1.131 647 S HN 0.919 nan 8.310 nan 0.000 0.467 648 K N -0.037 120.379 120.400 0.025 0.000 2.283 648 K HA -0.040 4.280 4.320 -0.001 0.000 0.202 648 K C -0.025 176.598 176.600 0.039 0.000 1.048 648 K CA 1.448 57.753 56.287 0.029 0.000 0.948 648 K CB -0.464 32.051 32.500 0.025 0.000 0.742 648 K HN 0.547 nan 8.250 nan 0.000 0.458 649 D N 1.191 121.619 120.400 0.047 0.000 2.328 649 D HA 0.145 4.785 4.640 -0.001 0.000 0.221 649 D C 0.767 177.118 176.300 0.085 0.000 1.072 649 D CA 0.879 54.922 54.000 0.071 0.000 0.850 649 D CB 0.824 41.675 40.800 0.085 0.000 0.922 649 D HN 0.507 nan 8.370 nan 0.000 0.516 650 G N 0.572 109.411 108.800 0.065 0.000 2.384 650 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.668 650 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.668 650 G C -0.833 174.103 174.900 0.060 0.000 1.280 650 G CA -1.033 44.102 45.100 0.058 0.000 0.992 650 G HN 0.107 nan 8.290 nan 0.000 0.512 651 I N 1.123 121.720 120.570 0.046 0.000 2.452 651 I HA 0.273 4.443 4.170 -0.001 0.000 0.287 651 I C 0.580 176.742 176.117 0.075 0.000 1.079 651 I CA -0.142 61.184 61.300 0.042 0.000 1.387 651 I CB 0.520 38.530 38.000 0.016 0.000 1.404 651 I HN 0.281 nan 8.210 nan 0.000 0.522 652 L N 7.770 129.043 121.223 0.083 0.000 2.257 652 L HA 0.496 4.835 4.340 -0.001 0.000 0.290 652 L C 0.101 177.019 176.870 0.079 0.000 1.044 652 L CA -0.503 54.412 54.840 0.124 0.000 0.810 652 L CB 0.460 42.558 42.059 0.065 0.000 1.193 652 L HN 0.580 nan 8.230 nan 0.000 0.425 653 R N 2.776 123.332 120.500 0.093 0.000 2.532 653 R HA 0.532 4.872 4.340 -0.001 0.000 0.295 653 R C -0.796 175.527 176.300 0.038 0.000 0.968 653 R CA -0.654 55.470 56.100 0.040 0.000 0.916 653 R CB 2.324 32.627 30.300 0.007 0.000 1.124 653 R HN 0.526 nan 8.270 nan 0.000 0.463 654 Q N 2.053 121.857 119.800 0.008 0.000 2.274 654 Q HA 0.318 4.658 4.340 -0.001 0.000 0.268 654 Q C -1.463 174.528 176.000 -0.015 0.000 1.015 654 Q CA -0.648 55.150 55.803 -0.009 0.000 0.775 654 Q CB 2.158 30.889 28.738 -0.013 0.000 1.256 654 Q HN 0.383 nan 8.270 nan 0.000 0.442 655 V N 3.907 123.809 119.914 -0.019 0.000 2.509 655 V HA 0.266 4.386 4.120 -0.001 0.000 0.284 655 V C 0.525 176.638 176.094 0.032 0.000 1.047 655 V CA -0.740 61.551 62.300 -0.015 0.000 0.952 655 V CB 1.088 32.890 31.823 -0.034 0.000 0.988 655 V HN 0.695 nan 8.190 nan 0.000 0.469 656 V N 3.545 123.486 119.914 0.045 0.000 2.928 656 V HA 0.171 4.290 4.120 -0.001 0.000 0.307 656 V C -1.935 174.253 176.094 0.156 0.000 1.105 656 V CA -1.236 61.096 62.300 0.054 0.000 1.223 656 V CB -0.453 31.291 31.823 -0.133 0.000 0.930 656 V HN 0.800 nan 8.190 nan 0.000 0.499 657 P HA 0.094 nan 4.420 nan 0.000 0.264 657 P C 0.051 177.487 177.300 0.227 0.000 1.193 657 P CA 0.602 63.706 63.100 0.008 0.000 0.763 657 P CB 0.284 31.691 31.700 -0.488 0.000 0.810 658 D N 1.574 122.133 120.400 0.265 0.000 2.723 658 D HA -0.270 4.369 4.640 -0.001 0.000 0.236 658 D C 0.487 177.048 176.300 0.435 0.000 1.138 658 D CA 0.565 54.783 54.000 0.363 0.000 0.676 658 D CB -1.699 39.338 40.800 0.395 0.000 1.069 658 D HN 0.491 nan 8.370 nan 0.000 0.430 659 Y N 0.524 121.004 120.300 0.300 0.000 2.151 659 Y HA -0.271 4.278 4.550 -0.001 0.000 0.284 659 Y C 2.199 178.227 175.900 0.214 0.000 1.166 659 Y CA 2.842 61.092 58.100 0.249 0.000 1.163 659 Y CB -0.198 38.314 38.460 0.086 0.000 0.974 659 Y HN 0.381 nan 8.280 nan 0.000 0.511 660 E N -0.884 119.421 120.200 0.175 0.000 2.065 660 E HA -0.310 4.040 4.350 -0.001 0.000 0.201 660 E C 1.782 178.274 176.600 -0.181 0.000 1.016 660 E CA 2.083 58.459 56.400 -0.040 0.000 0.818 660 E CB -0.419 29.242 29.700 -0.065 0.000 0.749 660 E HN 0.708 nan 8.360 nan 0.000 0.453 661 H N -1.215 117.889 119.070 0.058 0.000 2.563 661 H HA 0.134 4.689 4.556 -0.001 0.000 0.264 661 H C 1.480 176.761 175.328 -0.078 0.000 0.957 661 H CA 0.472 56.516 56.048 -0.006 0.000 1.173 661 H CB 0.642 30.405 29.762 0.002 0.000 1.420 661 H HN 0.235 nan 8.280 nan 0.000 0.551 662 L N 1.375 122.639 121.223 0.068 0.000 2.858 662 L HA 0.038 4.378 4.340 -0.001 0.000 0.251 662 L C 2.290 179.174 176.870 0.022 0.000 1.149 662 L CA -0.060 54.781 54.840 0.001 0.000 0.955 662 L CB -0.007 42.066 42.059 0.023 0.000 1.289 662 L HN 0.340 nan 8.230 nan 0.000 0.542 663 H N -0.680 118.311 119.070 -0.132 0.000 2.390 663 H HA -0.184 4.371 4.556 -0.001 0.000 0.298 663 H C 0.656 176.046 175.328 0.104 0.000 1.106 663 H CA 1.577 57.496 56.048 -0.216 0.000 1.297 663 H CB -0.157 28.958 29.762 -1.078 0.000 1.375 663 H HN 0.340 nan 8.280 nan 0.000 0.509 664 D N 1.077 121.267 120.400 -0.351 0.000 2.289 664 D HA 0.101 4.741 4.640 -0.001 0.000 0.207 664 D C 2.274 178.573 176.300 -0.003 0.000 0.966 664 D CA 0.975 54.915 54.000 -0.100 0.000 0.868 664 D CB -0.015 40.658 40.800 -0.211 0.000 0.943 664 D HN 0.548 nan 8.370 nan 0.000 0.514 665 A N 0.232 123.019 122.820 -0.054 0.000 1.968 665 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 665 A C 0.653 178.233 177.584 -0.007 0.000 1.169 665 A CA 0.428 52.421 52.037 -0.073 0.000 0.638 665 A CB -0.508 18.388 19.000 -0.174 0.000 0.812 665 A HN 0.096 nan 8.150 nan 0.000 0.446 666 Y N 0.290 120.669 120.300 0.131 0.000 2.480 666 Y HA 0.277 4.827 4.550 -0.000 0.000 0.338 666 Y C 0.733 176.735 175.900 0.170 0.000 1.220 666 Y CA 0.360 58.578 58.100 0.198 0.000 1.430 666 Y CB 0.424 39.078 38.460 0.324 0.000 1.311 666 Y HN 0.350 nan 8.280 nan 0.000 0.575 667 E N 3.904 124.319 120.200 0.358 0.000 2.145 667 E HA 0.355 4.704 4.350 -0.001 0.000 0.262 667 E C -1.414 175.267 176.600 0.135 0.000 0.883 667 E CA -0.485 56.052 56.400 0.228 0.000 0.748 667 E CB 0.559 30.398 29.700 0.232 0.000 1.140 667 E HN 0.591 nan 8.360 nan 0.000 0.417 668 L N 4.788 126.028 121.223 0.030 0.000 2.439 668 L HA 0.074 4.413 4.340 -0.001 0.000 0.269 668 L C 1.687 178.449 176.870 -0.181 0.000 1.179 668 L CA -0.400 54.371 54.840 -0.115 0.000 0.828 668 L CB 0.385 42.325 42.059 -0.198 0.000 1.106 668 L HN 0.719 nan 8.230 nan 0.000 0.467 669 L N 2.226 123.239 121.223 -0.350 0.000 2.010 669 L HA -0.228 4.112 4.340 -0.001 0.000 0.219 669 L C 1.729 178.275 176.870 -0.540 0.000 1.077 669 L CA 2.215 56.693 54.840 -0.603 0.000 0.773 669 L CB -0.449 41.047 42.059 -0.938 0.000 0.892 669 L HN 0.590 nan 8.230 nan 0.000 0.436 670 W N -0.528 120.728 121.300 -0.074 0.000 3.077 670 W HA 0.057 4.717 4.660 0.000 0.000 0.245 670 W C 2.129 178.632 176.519 -0.027 0.000 1.316 670 W CA 0.113 57.430 57.345 -0.046 0.000 1.537 670 W CB -0.179 29.262 29.460 -0.032 0.000 1.131 670 W HN 0.238 nan 8.180 nan 0.000 0.695 671 E N 0.422 120.690 120.200 0.113 0.000 2.299 671 E HA -0.030 4.319 4.350 -0.001 0.000 0.193 671 E C 0.939 177.585 176.600 0.076 0.000 0.998 671 E CA 0.289 56.745 56.400 0.095 0.000 0.851 671 E CB -0.075 29.672 29.700 0.079 0.000 0.795 671 E HN 0.223 nan 8.360 nan 0.000 0.492 672 M N 1.909 121.532 119.600 0.039 0.000 2.303 672 M HA 0.013 4.492 4.480 -0.001 0.000 0.350 672 M C -1.799 174.539 176.300 0.064 0.000 1.518 672 M CA -1.063 54.261 55.300 0.041 0.000 1.070 672 M CB 0.165 32.754 32.600 -0.019 0.000 1.910 672 M HN -0.188 nan 8.290 nan 0.000 0.458 673 P HA -0.037 nan 4.420 nan 0.000 0.221 673 P C 0.449 177.785 177.300 0.061 0.000 1.145 673 P CA 0.718 63.849 63.100 0.052 0.000 0.795 673 P CB 0.308 32.037 31.700 0.048 0.000 0.775 674 G N -2.092 106.753 108.800 0.074 0.000 2.430 674 G HA2 0.075 4.035 3.960 -0.001 0.000 0.300 674 G HA3 0.075 4.035 3.960 -0.001 0.000 0.300 674 G C -0.293 174.646 174.900 0.065 0.000 1.330 674 G CA -0.446 44.709 45.100 0.091 0.000 0.813 674 G HN -0.235 nan 8.290 nan 0.000 0.487 675 N N -0.394 118.350 118.700 0.073 0.000 2.373 675 N HA 0.011 4.750 4.740 -0.001 0.000 0.181 675 N C 1.114 176.742 175.510 0.197 0.000 1.082 675 N CA 0.895 53.998 53.050 0.088 0.000 0.885 675 N CB 0.446 38.962 38.487 0.049 0.000 0.977 675 N HN 0.539 nan 8.380 nan 0.000 0.462 676 D N 0.693 121.204 120.400 0.184 0.000 2.116 676 D HA -0.129 4.511 4.640 -0.001 0.000 0.193 676 D C 2.051 178.451 176.300 0.166 0.000 0.998 676 D CA 1.502 55.618 54.000 0.193 0.000 0.836 676 D CB -0.401 40.503 40.800 0.174 0.000 0.951 676 D HN 0.241 nan 8.370 nan 0.000 0.449 677 G N -0.395 108.504 108.800 0.164 0.000 2.402 677 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.216 677 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.216 677 G C 1.484 176.500 174.900 0.193 0.000 1.162 677 G CA 0.693 45.879 45.100 0.144 0.000 0.777 677 G HN 0.342 nan 8.290 nan 0.000 0.539 678 Y N 1.109 121.502 120.300 0.156 0.000 2.181 678 Y HA -0.032 4.517 4.550 -0.000 0.000 0.288 678 Y C 2.503 178.479 175.900 0.125 0.000 1.146 678 Y CA 1.385 59.611 58.100 0.209 0.000 1.164 678 Y CB -0.185 38.374 38.460 0.165 0.000 0.982 678 Y HN 0.099 nan 8.280 nan 0.000 0.515 679 L N 0.097 121.443 121.223 0.204 0.000 2.141 679 L HA -0.240 4.100 4.340 -0.001 0.000 0.209 679 L C 2.500 179.344 176.870 -0.044 0.000 1.094 679 L CA 1.393 56.290 54.840 0.096 0.000 0.763 679 L CB -0.573 41.633 42.059 0.245 0.000 0.908 679 L HN 0.356 nan 8.230 nan 0.000 0.437 680 Q N -0.139 119.593 119.800 -0.113 0.000 2.079 680 Q HA -0.175 4.164 4.340 -0.001 0.000 0.200 680 Q C 2.372 178.219 176.000 -0.255 0.000 0.974 680 Q CA 1.238 56.833 55.803 -0.347 0.000 0.840 680 Q CB -0.105 28.399 28.738 -0.390 0.000 0.898 680 Q HN 0.534 nan 8.270 nan 0.000 0.430 681 L N -0.120 120.997 121.223 -0.176 0.000 2.017 681 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 681 L C 2.423 179.102 176.870 -0.318 0.000 1.073 681 L CA 0.778 55.507 54.840 -0.186 0.000 0.745 681 L CB -0.689 41.322 42.059 -0.080 0.000 0.894 681 L HN 0.076 nan 8.230 nan 0.000 0.432 682 V N 0.627 120.310 119.914 -0.384 0.000 2.252 682 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 682 V C 2.685 178.631 176.094 -0.247 0.000 1.056 682 V CA 2.242 64.323 62.300 -0.364 0.000 1.022 682 V CB -1.510 30.115 31.823 -0.331 0.000 0.641 682 V HN 0.604 nan 8.190 nan 0.000 0.445 683 G N -0.256 108.441 108.800 -0.171 0.000 2.476 683 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.218 683 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.218 683 G C 1.567 176.362 174.900 -0.176 0.000 1.164 683 G CA 1.345 46.371 45.100 -0.123 0.000 0.768 683 G HN 0.509 nan 8.290 nan 0.000 0.560 684 I N 0.304 120.753 120.570 -0.203 0.000 2.179 684 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 684 I C 2.983 178.998 176.117 -0.170 0.000 1.088 684 I CA 1.204 62.406 61.300 -0.163 0.000 1.357 684 I CB -0.229 37.721 38.000 -0.082 0.000 1.051 684 I HN 0.183 nan 8.210 nan 0.000 0.409 685 M N -0.241 119.154 119.600 -0.341 0.000 2.082 685 M HA -0.287 4.192 4.480 -0.001 0.000 0.258 685 M C 2.382 178.561 176.300 -0.202 0.000 1.069 685 M CA 1.846 56.824 55.300 -0.536 0.000 1.102 685 M CB -0.430 31.577 32.600 -0.988 0.000 1.336 685 M HN 0.142 nan 8.290 nan 0.000 0.404 686 Q N 0.886 120.580 119.800 -0.177 0.000 2.291 686 Q HA -0.154 4.185 4.340 -0.001 0.000 0.205 686 Q C 1.722 177.735 176.000 0.021 0.000 0.970 686 Q CA 1.527 57.295 55.803 -0.057 0.000 0.876 686 Q CB -0.276 28.432 28.738 -0.049 0.000 0.935 686 Q HN 0.408 nan 8.270 nan 0.000 0.455 687 K N -1.088 119.204 120.400 -0.180 0.000 2.127 687 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 687 K C 0.868 177.224 176.600 -0.407 0.000 1.047 687 K CA 1.774 57.788 56.287 -0.454 0.000 0.927 687 K CB -0.135 31.771 32.500 -0.990 0.000 0.716 687 K HN 0.289 nan 8.250 nan 0.000 0.450 688 F N 0.356 120.313 119.950 0.012 0.000 2.653 688 F HA 0.231 4.758 4.527 -0.001 0.000 0.288 688 F C 0.664 176.535 175.800 0.117 0.000 1.121 688 F CA -0.586 57.456 58.000 0.071 0.000 1.384 688 F CB 0.193 39.258 39.000 0.107 0.000 1.115 688 F HN -0.164 nan 8.300 nan 0.000 0.599 689 I N 1.948 122.664 120.570 0.244 0.000 2.618 689 I HA -0.088 4.082 4.170 -0.001 0.000 0.284 689 I C 1.107 177.258 176.117 0.057 0.000 1.146 689 I CA 0.224 61.619 61.300 0.158 0.000 1.425 689 I CB 0.153 38.205 38.000 0.085 0.000 1.383 689 I HN 0.181 nan 8.210 nan 0.000 0.562 690 D N 4.383 124.829 120.400 0.077 0.000 2.097 690 D HA -0.108 4.531 4.640 -0.001 0.000 0.197 690 D C 1.420 177.719 176.300 -0.001 0.000 0.984 690 D CA 1.428 55.446 54.000 0.029 0.000 0.826 690 D CB 0.499 41.355 40.800 0.093 0.000 0.973 690 D HN 0.614 nan 8.370 nan 0.000 0.460 691 Q N -0.186 119.633 119.800 0.032 0.000 3.072 691 Q HA 0.313 4.652 4.340 -0.001 0.000 0.231 691 Q C 0.594 176.600 176.000 0.010 0.000 1.167 691 Q CA -0.253 55.569 55.803 0.032 0.000 0.318 691 Q CB 0.376 29.138 28.738 0.039 0.000 5.789 691 Q HN -0.059 nan 8.270 nan 0.000 0.322 692 S N -1.220 114.480 115.700 0.001 0.000 2.911 692 S HA 0.683 5.153 4.470 -0.001 0.000 0.319 692 S C -1.600 172.983 174.600 -0.028 0.000 1.154 692 S CA -0.751 57.445 58.200 -0.007 0.000 0.857 692 S CB 0.944 64.144 63.200 0.001 0.000 1.279 692 S HN 0.350 nan 8.310 nan 0.000 0.593 693 I N 1.398 121.946 120.570 -0.036 0.000 2.607 693 I HA 0.286 4.456 4.170 -0.001 0.000 0.290 693 I C -0.495 175.592 176.117 -0.049 0.000 1.129 693 I CA -0.520 60.748 61.300 -0.053 0.000 1.042 693 I CB 2.413 40.367 38.000 -0.078 0.000 1.242 693 I HN 0.420 nan 8.210 nan 0.000 0.421 694 S N 4.867 120.517 115.700 -0.082 0.000 4.117 694 S HA 0.273 4.743 4.470 -0.001 0.000 0.191 694 S C 0.528 175.196 174.600 0.113 0.000 1.308 694 S CA -0.477 57.649 58.200 -0.123 0.000 0.906 694 S CB -0.464 62.557 63.200 -0.299 0.000 1.565 694 S HN 0.619 nan 8.310 nan 0.000 0.439 695 A N 2.970 125.886 122.820 0.159 0.000 2.409 695 A HA 0.280 4.600 4.320 -0.001 0.000 0.267 695 A C 0.484 178.277 177.584 0.348 0.000 1.127 695 A CA -0.519 51.694 52.037 0.292 0.000 0.795 695 A CB 0.174 19.314 19.000 0.233 0.000 1.061 695 A HN 0.671 nan 8.150 nan 0.000 0.502 696 N N 0.641 119.554 118.700 0.355 0.000 2.515 696 N HA 0.459 5.199 4.740 -0.001 0.000 0.279 696 N C -0.065 175.503 175.510 0.097 0.000 1.164 696 N CA -0.046 53.116 53.050 0.188 0.000 0.982 696 N CB 1.291 39.811 38.487 0.054 0.000 1.170 696 N HN 0.768 nan 8.380 nan 0.000 0.474 697 T N -1.103 113.515 114.554 0.107 0.000 2.918 697 T HA 0.458 4.808 4.350 -0.001 0.000 0.286 697 T C -0.677 173.971 174.700 -0.088 0.000 1.026 697 T CA -1.005 61.101 62.100 0.010 0.000 1.031 697 T CB 1.449 70.439 68.868 0.203 0.000 1.046 697 T HN 0.380 nan 8.240 nan 0.000 0.479 698 N N 1.008 119.486 118.700 -0.369 0.000 2.235 698 N HA 0.409 5.149 4.740 -0.001 0.000 0.293 698 N C -1.904 173.345 175.510 -0.436 0.000 1.083 698 N CA -0.522 52.397 53.050 -0.219 0.000 0.801 698 N CB 2.447 40.732 38.487 -0.337 0.000 1.559 698 N HN 0.668 nan 8.380 nan 0.000 0.472 699 Y N -0.380 120.179 120.300 0.431 0.000 2.396 699 Y HA 0.177 4.727 4.550 -0.001 0.000 0.332 699 Y C -0.632 175.443 175.900 0.292 0.000 1.034 699 Y CA -0.957 57.368 58.100 0.376 0.000 1.057 699 Y CB 1.802 40.372 38.460 0.184 0.000 1.220 699 Y HN 0.369 nan 8.280 nan 0.000 0.440 700 D N 5.014 125.654 120.400 0.399 0.000 2.412 700 D HA 0.306 4.946 4.640 -0.001 0.000 0.224 700 D C -2.027 174.433 176.300 0.267 0.000 1.093 700 D CA -2.510 51.528 54.000 0.063 0.000 0.850 700 D CB 1.870 42.669 40.800 -0.003 0.000 1.046 700 D HN 0.204 nan 8.370 nan 0.000 0.507 701 P HA -0.174 nan 4.420 nan 0.000 0.217 701 P C 1.209 178.643 177.300 0.223 0.000 1.148 701 P CA 1.197 64.429 63.100 0.220 0.000 0.834 701 P CB 0.168 31.903 31.700 0.059 0.000 0.783 702 S N -1.355 114.395 115.700 0.084 0.000 2.603 702 S HA -0.018 4.451 4.470 -0.001 0.000 0.229 702 S C 1.666 176.269 174.600 0.004 0.000 0.972 702 S CA 0.338 58.559 58.200 0.034 0.000 0.935 702 S CB -0.714 62.474 63.200 -0.020 0.000 0.769 702 S HN 0.124 nan 8.310 nan 0.000 0.536 703 R N -0.445 120.039 120.500 -0.027 0.000 2.310 703 R HA 0.321 4.660 4.340 -0.001 0.000 0.202 703 R C -0.829 175.179 176.300 -0.487 0.000 0.933 703 R CA 0.184 56.115 56.100 -0.280 0.000 1.054 703 R CB 0.100 30.140 30.300 -0.433 0.000 0.985 703 R HN 0.425 nan 8.270 nan 0.000 0.489 704 F N 0.375 120.350 119.950 0.042 0.000 2.546 704 F HA 0.376 4.903 4.527 -0.001 0.000 0.320 704 F C -2.046 173.769 175.800 0.025 0.000 1.076 704 F CA -3.310 54.715 58.000 0.041 0.000 0.928 704 F CB 1.129 40.157 39.000 0.046 0.000 1.189 704 F HN -0.303 nan 8.300 nan 0.000 0.465 705 P HA 0.034 nan 4.420 nan 0.000 0.261 705 P C 0.028 177.390 177.300 0.104 0.000 1.183 705 P CA 0.696 63.865 63.100 0.116 0.000 0.761 705 P CB 0.458 32.220 31.700 0.103 0.000 0.785 706 S N 2.083 117.825 115.700 0.069 0.000 3.521 706 S HA -0.189 4.280 4.470 -0.001 0.000 0.328 706 S C 1.286 175.920 174.600 0.056 0.000 1.165 706 S CA 1.029 59.260 58.200 0.050 0.000 0.941 706 S CB -2.272 60.950 63.200 0.038 0.000 0.951 706 S HN 1.081 nan 8.310 nan 0.000 0.539 707 G N 0.960 109.811 108.800 0.085 0.000 2.212 707 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.267 707 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.267 707 G C -0.192 174.751 174.900 0.071 0.000 1.002 707 G CA 1.000 46.153 45.100 0.089 0.000 0.729 707 G HN 1.044 nan 8.290 nan 0.000 0.517 708 K N -0.208 120.229 120.400 0.063 0.000 2.274 708 K HA 0.673 4.993 4.320 -0.001 0.000 0.262 708 K C -0.165 176.351 176.600 -0.140 0.000 0.961 708 K CA -1.146 55.126 56.287 -0.025 0.000 0.833 708 K CB 2.904 35.385 32.500 -0.032 0.000 1.102 708 K HN 0.011 nan 8.250 nan 0.000 0.436 709 V N 4.647 124.370 119.914 -0.317 0.000 2.479 709 V HA 0.091 4.211 4.120 -0.001 0.000 0.281 709 V C -1.643 174.158 176.094 -0.488 0.000 1.031 709 V CA -1.081 60.789 62.300 -0.717 0.000 1.038 709 V CB -0.067 31.377 31.823 -0.632 0.000 0.981 709 V HN 0.802 nan 8.190 nan 0.000 0.478 710 P HA 0.233 nan 4.420 nan 0.000 0.282 710 P C 0.499 177.679 177.300 -0.201 0.000 1.249 710 P CA -0.691 62.278 63.100 -0.218 0.000 0.806 710 P CB 1.030 32.677 31.700 -0.089 0.000 0.984 711 M N 2.240 121.768 119.600 -0.120 0.000 2.159 711 M HA -0.197 4.282 4.480 -0.001 0.000 0.263 711 M C 2.038 178.312 176.300 -0.044 0.000 1.063 711 M CA 1.938 57.189 55.300 -0.082 0.000 1.110 711 M CB -1.196 31.381 32.600 -0.038 0.000 1.374 711 M HN 0.339 nan 8.290 nan 0.000 0.411 712 Q N -0.040 119.746 119.800 -0.023 0.000 2.096 712 Q HA -0.285 4.055 4.340 -0.001 0.000 0.208 712 Q C 2.148 178.166 176.000 0.029 0.000 0.993 712 Q CA 2.570 58.378 55.803 0.010 0.000 0.862 712 Q CB -0.439 28.314 28.738 0.025 0.000 0.915 712 Q HN 0.682 nan 8.270 nan 0.000 0.416 713 Q N -0.722 119.089 119.800 0.018 0.000 2.172 713 Q HA 0.005 4.344 4.340 -0.001 0.000 0.200 713 Q C 1.859 177.900 176.000 0.070 0.000 0.964 713 Q CA 1.136 56.989 55.803 0.083 0.000 0.855 713 Q CB -0.117 28.699 28.738 0.130 0.000 0.918 713 Q HN 0.522 nan 8.270 nan 0.000 0.444 714 L N -0.491 120.689 121.223 -0.072 0.000 2.046 714 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 714 L C 2.178 179.100 176.870 0.088 0.000 1.077 714 L CA 1.063 55.869 54.840 -0.058 0.000 0.747 714 L CB -0.485 41.483 42.059 -0.152 0.000 0.896 714 L HN 0.263 nan 8.230 nan 0.000 0.432 715 L N -0.272 120.993 121.223 0.069 0.000 2.109 715 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 715 L C 2.649 179.568 176.870 0.083 0.000 1.086 715 L CA 0.916 55.806 54.840 0.083 0.000 0.760 715 L CB -0.402 41.676 42.059 0.031 0.000 0.910 715 L HN 0.184 nan 8.230 nan 0.000 0.437 716 K N 0.487 120.937 120.400 0.084 0.000 2.057 716 K HA -0.204 4.116 4.320 -0.001 0.000 0.207 716 K C 1.642 178.322 176.600 0.133 0.000 1.049 716 K CA 1.794 58.136 56.287 0.092 0.000 0.931 716 K CB -0.170 32.390 32.500 0.100 0.000 0.714 716 K HN 0.145 nan 8.250 nan 0.000 0.440 717 D N 0.390 120.906 120.400 0.194 0.000 2.117 717 D HA -0.158 4.482 4.640 -0.001 0.000 0.197 717 D C 1.862 178.296 176.300 0.222 0.000 0.987 717 D CA 1.074 55.217 54.000 0.240 0.000 0.829 717 D CB -0.262 40.742 40.800 0.339 0.000 0.961 717 D HN 0.206 nan 8.370 nan 0.000 0.460 718 L N 0.554 121.908 121.223 0.218 0.000 2.017 718 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 718 L C 2.203 179.158 176.870 0.141 0.000 1.073 718 L CA 1.387 56.368 54.840 0.235 0.000 0.745 718 L CB -0.447 41.788 42.059 0.294 0.000 0.894 718 L HN 0.000 nan 8.230 nan 0.000 0.432 719 L N -1.391 119.868 121.223 0.060 0.000 2.083 719 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 719 L C 2.353 179.210 176.870 -0.021 0.000 1.083 719 L CA 1.643 56.447 54.840 -0.059 0.000 0.752 719 L CB -1.031 40.988 42.059 -0.067 0.000 0.899 719 L HN 0.266 nan 8.230 nan 0.000 0.433 720 T N -0.043 114.535 114.554 0.041 0.000 2.720 720 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 720 T C 2.045 176.808 174.700 0.106 0.000 1.037 720 T CA 1.383 63.512 62.100 0.047 0.000 1.144 720 T CB -0.288 68.689 68.868 0.181 0.000 0.864 720 T HN 0.459 nan 8.240 nan 0.000 0.444 721 A N 0.655 123.580 122.820 0.175 0.000 1.865 721 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 721 A C 2.098 179.769 177.584 0.146 0.000 1.191 721 A CA 1.918 54.076 52.037 0.201 0.000 0.623 721 A CB -1.216 17.922 19.000 0.230 0.000 0.826 721 A HN 0.592 nan 8.150 nan 0.000 0.444 722 Y N 0.406 120.698 120.300 -0.014 0.000 2.128 722 Y HA -0.227 4.323 4.550 -0.001 0.000 0.284 722 Y C 2.446 178.350 175.900 0.007 0.000 1.154 722 Y CA 2.451 60.526 58.100 -0.041 0.000 1.149 722 Y CB -0.195 37.982 38.460 -0.472 0.000 0.976 722 Y HN 0.259 nan 8.280 nan 0.000 0.505 723 K N -0.587 119.752 120.400 -0.102 0.000 2.152 723 K HA -0.182 4.138 4.320 -0.001 0.000 0.206 723 K C 1.081 177.424 176.600 -0.429 0.000 1.048 723 K CA 1.496 57.600 56.287 -0.306 0.000 0.933 723 K CB -0.390 31.833 32.500 -0.461 0.000 0.721 723 K HN 0.337 nan 8.250 nan 0.000 0.447 724 F N 0.068 119.960 119.950 -0.097 0.000 2.692 724 F HA 0.220 4.746 4.527 -0.001 0.000 0.303 724 F C 1.317 176.977 175.800 -0.233 0.000 1.114 724 F CA 0.428 58.350 58.000 -0.130 0.000 1.361 724 F CB 0.337 39.296 39.000 -0.069 0.000 1.063 724 F HN 0.215 nan 8.300 nan 0.000 0.550 725 G N 0.400 109.035 108.800 -0.275 0.000 2.147 725 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 725 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 725 G C 0.128 174.864 174.900 -0.272 0.000 1.005 725 G CA 0.062 44.783 45.100 -0.631 0.000 0.713 725 G HN 0.136 nan 8.290 nan 0.000 0.515 726 V N 0.545 120.442 119.914 -0.029 0.000 2.540 726 V HA 0.094 4.213 4.120 -0.001 0.000 0.297 726 V C 1.760 177.956 176.094 0.170 0.000 1.024 726 V CA 1.250 63.595 62.300 0.075 0.000 1.105 726 V CB 1.187 33.084 31.823 0.124 0.000 0.938 726 V HN 0.473 nan 8.190 nan 0.000 0.482 727 K N 2.357 122.838 120.400 0.136 0.000 2.116 727 K HA 0.043 4.362 4.320 -0.001 0.000 0.203 727 K C 0.691 177.397 176.600 0.176 0.000 1.052 727 K CA 1.172 57.562 56.287 0.171 0.000 0.952 727 K CB 0.176 32.745 32.500 0.114 0.000 0.729 727 K HN 0.894 nan 8.250 nan 0.000 0.446 728 T N -1.864 112.785 114.554 0.159 0.000 2.868 728 T HA 0.566 4.915 4.350 -0.001 0.000 0.306 728 T C -0.962 173.856 174.700 0.197 0.000 1.224 728 T CA -1.003 61.204 62.100 0.178 0.000 1.012 728 T CB 1.607 70.549 68.868 0.124 0.000 1.221 728 T HN -0.103 nan 8.240 nan 0.000 0.499 729 L N 2.389 123.759 121.223 0.245 0.000 2.376 729 L HA 0.557 4.896 4.340 -0.001 0.000 0.275 729 L C -0.640 176.412 176.870 0.304 0.000 0.987 729 L CA -1.032 53.973 54.840 0.276 0.000 0.828 729 L CB 1.713 43.956 42.059 0.306 0.000 1.249 729 L HN 0.724 nan 8.230 nan 0.000 0.409 730 Y N 2.847 123.169 120.300 0.036 0.000 2.896 730 Y HA 0.326 4.876 4.550 0.000 0.000 0.444 730 Y C 0.092 176.112 175.900 0.199 0.000 1.328 730 Y CA -0.685 57.281 58.100 -0.222 0.000 1.741 730 Y CB 0.218 38.457 38.460 -0.368 0.000 1.633 730 Y HN 0.265 nan 8.280 nan 0.000 0.748 731 Y N 2.285 122.361 120.300 -0.373 0.000 2.904 731 Y HA -0.004 4.546 4.550 0.000 0.000 0.336 731 Y C 0.639 176.581 175.900 0.071 0.000 1.263 731 Y CA 0.278 58.294 58.100 -0.141 0.000 1.547 731 Y CB -0.362 37.927 38.460 -0.285 0.000 1.272 731 Y HN 0.295 nan 8.280 nan 0.000 0.596 732 Q N 4.357 124.335 119.800 0.297 0.000 2.331 732 Q HA 0.237 4.576 4.340 -0.001 0.000 0.257 732 Q C -1.108 175.006 176.000 0.191 0.000 0.957 732 Q CA -0.768 55.187 55.803 0.252 0.000 0.923 732 Q CB 0.443 29.344 28.738 0.272 0.000 1.212 732 Q HN 0.625 nan 8.270 nan 0.000 0.443 733 N N 3.044 121.856 118.700 0.186 0.000 2.426 733 N HA 0.258 4.997 4.740 -0.001 0.000 0.275 733 N C -1.137 174.585 175.510 0.354 0.000 1.019 733 N CA -0.142 53.030 53.050 0.203 0.000 0.941 733 N CB 1.825 40.410 38.487 0.165 0.000 1.123 733 N HN 0.445 nan 8.380 nan 0.000 0.486 734 T N 1.451 116.165 114.554 0.267 0.000 2.770 734 T HA 0.236 4.585 4.350 -0.001 0.000 0.283 734 T C 0.549 175.280 174.700 0.052 0.000 0.988 734 T CA -0.643 61.579 62.100 0.204 0.000 0.957 734 T CB 1.520 70.453 68.868 0.109 0.000 0.930 734 T HN 0.284 nan 8.240 nan 0.000 0.443 735 R N 3.161 123.484 120.500 -0.296 0.000 2.522 735 R HA 0.068 4.407 4.340 -0.001 0.000 0.284 735 R C -0.370 175.745 176.300 -0.307 0.000 1.032 735 R CA -0.248 55.457 56.100 -0.659 0.000 1.049 735 R CB 0.254 29.617 30.300 -1.560 0.000 0.956 735 R HN 0.651 nan 8.270 nan 0.000 0.422 736 D N 3.735 124.017 120.400 -0.197 0.000 2.317 736 D HA 0.512 5.152 4.640 -0.001 0.000 0.234 736 D C 0.155 176.366 176.300 -0.149 0.000 1.112 736 D CA -0.272 53.649 54.000 -0.132 0.000 0.840 736 D CB 1.539 42.299 40.800 -0.066 0.000 1.078 736 D HN 0.748 nan 8.370 nan 0.000 0.486 737 G N 0.000 108.716 108.800 -0.141 0.000 5.446 737 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 737 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 737 G CA 0.000 45.016 45.100 -0.140 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925