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 1ep4_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIETVPVKLK PGMDGPKVKQ WPLTEEKIKA LVEICTEMEK EGKISKIGPE DATA SEQUENCE NPYNTPVFAI KXXXXXXWRK LVDFRELNKR TQDFWEVQLG IPHPAGLKKK DATA SEQUENCE KSVTVLDVGD AYFSVPLDED FRKYTAFTIP SINXXXXXIR YQYNVLPQGW DATA SEQUENCE KGSPAIFQSS MTKILEPFRK QNPDIVIYQY MDDLYVGSDL EIGQHRTKIE DATA SEQUENCE ELRQHLLRWG LTTPDXXHQK EPPFLWMGYE LHPDKWTVQP IVLPEKDSWT DATA SEQUENCE VNDIQKLVGK LNWASQIYPG IKVRQLXKLL RGTKALTEVI PLTEEAELEL DATA SEQUENCE AENREILKEP VHGVYYDPSK DLIAEIQKQG QGQWTYQIYQ EPFKNLKTGK DATA SEQUENCE YARMRGAHTN DVKQLTEAVQ KITTESIVIW GKTPKFKLPI QKETWETWWT DATA SEQUENCE EYWQATWIPE WEFVNTPPLV KLWYQLEKEP IVGAETFYVD GAANRETKLG DATA SEQUENCE KAGYVTNRGR QKVVTLTDTT NQKTELQAIY LALQDSGLEV NIVTDSQYAL DATA SEQUENCE GIIQAQPDQS ESELVNQIIE QLIKKEKVYL AWVPAH 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 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.444 177.300 0.240 0.000 1.155 4 P CA 0.000 63.169 63.100 0.116 0.000 0.800 4 P CB 0.000 31.780 31.700 0.133 0.000 0.726 5 I N 0.904 121.614 120.570 0.234 0.000 2.582 5 I HA 0.292 4.516 4.170 0.091 0.000 0.292 5 I C -0.514 175.690 176.117 0.144 0.000 1.066 5 I CA -1.216 60.232 61.300 0.247 0.000 1.053 5 I CB 2.018 40.131 38.000 0.188 0.000 1.241 5 I HN -0.043 nan 8.210 nan 0.000 0.421 6 E N 4.055 124.332 120.200 0.129 0.000 2.694 6 E HA -0.031 4.374 4.350 0.091 0.000 0.250 6 E C -0.096 176.554 176.600 0.085 0.000 0.963 6 E CA 0.379 56.836 56.400 0.094 0.000 0.949 6 E CB 0.079 29.829 29.700 0.084 0.000 0.911 6 E HN 0.554 nan 8.360 nan 0.000 0.500 7 T N 2.183 116.787 114.554 0.084 0.000 2.932 7 T HA 0.062 4.467 4.350 0.091 0.000 0.312 7 T C -0.443 174.310 174.700 0.088 0.000 1.071 7 T CA -0.467 61.685 62.100 0.088 0.000 1.128 7 T CB 0.715 69.637 68.868 0.090 0.000 0.984 7 T HN 0.280 nan 8.240 nan 0.000 0.549 8 V N 8.239 128.213 119.914 0.099 0.000 2.370 8 V HA 0.558 4.732 4.120 0.091 0.000 0.279 8 V C -2.172 173.999 176.094 0.128 0.000 1.029 8 V CA -2.279 60.086 62.300 0.109 0.000 0.870 8 V CB 1.211 33.107 31.823 0.122 0.000 0.984 8 V HN 0.819 nan 8.190 nan 0.000 0.451 9 P HA 0.124 nan 4.420 nan 0.000 0.265 9 P C -0.825 176.553 177.300 0.130 0.000 1.187 9 P CA 0.334 63.504 63.100 0.116 0.000 0.766 9 P CB 1.025 32.777 31.700 0.087 0.000 0.820 10 V N 3.394 123.395 119.914 0.145 0.000 2.971 10 V HA 0.508 4.683 4.120 0.091 0.000 0.309 10 V C 0.052 176.261 176.094 0.192 0.000 1.130 10 V CA -0.629 61.742 62.300 0.118 0.000 0.964 10 V CB 2.607 34.447 31.823 0.028 0.000 1.029 10 V HN 0.553 nan 8.190 nan 0.000 0.427 11 K N 2.084 122.559 120.400 0.124 0.000 2.522 11 K HA 0.643 5.018 4.320 0.091 0.000 0.275 11 K C -1.670 174.993 176.600 0.105 0.000 1.006 11 K CA -0.919 55.463 56.287 0.158 0.000 0.890 11 K CB 2.316 34.857 32.500 0.070 0.000 1.475 11 K HN 0.285 nan 8.250 nan 0.000 0.441 12 L N 1.596 122.842 121.223 0.037 0.000 2.468 12 L HA 0.365 4.759 4.340 0.091 0.000 0.254 12 L C 0.794 177.643 176.870 -0.034 0.000 1.171 12 L CA -0.171 54.655 54.840 -0.024 0.000 0.809 12 L CB 0.058 42.022 42.059 -0.159 0.000 1.155 12 L HN 0.572 nan 8.230 nan 0.000 0.473 13 K N 1.183 121.561 120.400 -0.037 0.000 2.188 13 K HA 0.090 4.464 4.320 0.091 0.000 0.246 13 K C -2.070 174.517 176.600 -0.022 0.000 1.026 13 K CA -1.083 55.182 56.287 -0.036 0.000 0.871 13 K CB -0.320 32.164 32.500 -0.027 0.000 1.042 13 K HN 0.466 nan 8.250 nan 0.000 0.509 14 P HA -0.079 nan 4.420 nan 0.000 0.257 14 P C 0.127 177.430 177.300 0.005 0.000 1.189 14 P CA 0.642 63.740 63.100 -0.004 0.000 0.780 14 P CB -0.110 31.588 31.700 -0.003 0.000 0.772 15 G N 3.461 112.268 108.800 0.012 0.000 2.323 15 G HA2 -0.231 3.783 3.960 0.091 0.000 0.292 15 G HA3 -0.231 3.783 3.960 0.091 0.000 0.292 15 G C 0.154 175.069 174.900 0.025 0.000 1.040 15 G CA -0.215 44.898 45.100 0.023 0.000 0.942 15 G HN 0.430 nan 8.290 nan 0.000 0.506 16 M N -0.513 119.093 119.600 0.011 0.000 2.528 16 M HA 0.545 5.079 4.480 0.091 0.000 0.318 16 M C 0.131 176.443 176.300 0.020 0.000 1.195 16 M CA -0.814 54.493 55.300 0.012 0.000 1.000 16 M CB 1.464 34.059 32.600 -0.010 0.000 1.615 16 M HN 0.247 nan 8.290 nan 0.000 0.469 17 D N -0.219 120.217 120.400 0.059 0.000 2.392 17 D HA 0.634 5.328 4.640 0.091 0.000 0.246 17 D C 0.181 176.534 176.300 0.088 0.000 1.013 17 D CA -0.123 53.965 54.000 0.147 0.000 0.993 17 D CB 1.524 42.455 40.800 0.218 0.000 1.219 17 D HN 0.675 nan 8.370 nan 0.000 0.538 18 G N 0.263 109.153 108.800 0.151 0.000 2.631 18 G HA2 0.361 4.376 3.960 0.091 0.000 0.271 18 G HA3 0.361 4.376 3.960 0.091 0.000 0.271 18 G C -2.352 172.664 174.900 0.193 0.000 1.302 18 G CA -0.794 44.243 45.100 -0.104 0.000 1.002 18 G HN 0.409 nan 8.290 nan 0.000 0.519 19 P HA 0.352 nan 4.420 nan 0.000 0.277 19 P C -0.258 177.229 177.300 0.311 0.000 1.240 19 P CA -0.212 63.032 63.100 0.241 0.000 0.798 19 P CB 1.198 33.044 31.700 0.243 0.000 0.979 20 K N 0.245 120.787 120.400 0.236 0.000 2.582 20 K HA 0.135 4.510 4.320 0.091 0.000 0.204 20 K C -0.225 176.468 176.600 0.156 0.000 1.221 20 K CA -0.171 56.232 56.287 0.193 0.000 1.048 20 K CB 1.049 33.642 32.500 0.155 0.000 1.011 20 K HN 0.173 nan 8.250 nan 0.000 0.597 21 V N 3.473 123.491 119.914 0.175 0.000 2.441 21 V HA -0.042 4.132 4.120 0.091 0.000 0.279 21 V C 0.375 176.569 176.094 0.166 0.000 0.990 21 V CA 0.367 62.771 62.300 0.173 0.000 1.116 21 V CB -0.260 31.692 31.823 0.214 0.000 0.977 21 V HN 0.231 nan 8.190 nan 0.000 0.470 22 K N 4.672 125.147 120.400 0.124 0.000 2.584 22 K HA -0.132 4.242 4.320 0.091 0.000 0.277 22 K C 0.225 176.909 176.600 0.140 0.000 0.960 22 K CA 0.309 56.655 56.287 0.098 0.000 0.975 22 K CB 0.288 32.816 32.500 0.047 0.000 0.885 22 K HN 0.915 nan 8.250 nan 0.000 0.515 23 Q N 2.366 122.231 119.800 0.108 0.000 2.286 23 Q HA 0.094 4.489 4.340 0.091 0.000 0.257 23 Q C -1.532 174.562 176.000 0.158 0.000 0.941 23 Q CA -0.071 55.806 55.803 0.125 0.000 0.912 23 Q CB 0.545 29.329 28.738 0.077 0.000 1.192 23 Q HN 0.407 nan 8.270 nan 0.000 0.410 24 W N 7.480 128.723 121.300 -0.095 0.000 2.745 24 W HA 0.184 4.898 4.660 0.091 0.000 0.370 24 W C -1.720 174.784 176.519 -0.025 0.000 1.274 24 W CA -1.758 55.567 57.345 -0.034 0.000 1.502 24 W CB -0.091 29.355 29.460 -0.025 0.000 1.589 24 W HN 0.535 nan 8.180 nan 0.000 0.482 25 P HA -0.080 nan 4.420 nan 0.000 0.255 25 P C -0.166 177.207 177.300 0.121 0.000 1.173 25 P CA 0.796 63.946 63.100 0.084 0.000 0.780 25 P CB 0.551 32.273 31.700 0.036 0.000 0.758 26 L N 2.814 124.099 121.223 0.102 0.000 2.544 26 L HA 0.471 4.865 4.340 0.091 0.000 0.256 26 L C 1.725 178.636 176.870 0.069 0.000 1.097 26 L CA -0.731 54.172 54.840 0.105 0.000 0.812 26 L CB 0.534 42.634 42.059 0.067 0.000 1.440 26 L HN 0.331 nan 8.230 nan 0.000 0.496 27 T N -3.943 110.651 114.554 0.067 0.000 2.849 27 T HA 0.187 4.592 4.350 0.091 0.000 0.276 27 T C 0.799 175.513 174.700 0.022 0.000 0.971 27 T CA -0.687 61.445 62.100 0.054 0.000 0.949 27 T CB 1.208 70.123 68.868 0.079 0.000 1.093 27 T HN 0.483 nan 8.240 nan 0.000 0.545 28 E N 0.186 120.402 120.200 0.027 0.000 2.047 28 E HA -0.132 4.272 4.350 0.091 0.000 0.191 28 E C 1.957 178.554 176.600 -0.005 0.000 0.987 28 E CA 1.104 57.510 56.400 0.010 0.000 0.799 28 E CB -0.309 29.406 29.700 0.024 0.000 0.752 28 E HN 0.879 nan 8.360 nan 0.000 0.449 29 E N 1.101 121.330 120.200 0.048 0.000 2.160 29 E HA -0.208 4.197 4.350 0.091 0.000 0.195 29 E C 1.749 178.264 176.600 -0.143 0.000 0.991 29 E CA 1.101 57.563 56.400 0.103 0.000 0.810 29 E CB 0.184 30.059 29.700 0.291 0.000 0.742 29 E HN 0.146 nan 8.360 nan 0.000 0.466 30 K N 0.188 120.493 120.400 -0.159 0.000 1.995 30 K HA -0.039 4.336 4.320 0.091 0.000 0.207 30 K C 2.331 178.736 176.600 -0.325 0.000 1.041 30 K CA 1.167 57.249 56.287 -0.340 0.000 0.942 30 K CB -0.210 32.230 32.500 -0.100 0.000 0.731 30 K HN 0.114 nan 8.250 nan 0.000 0.439 31 I N 1.994 122.467 120.570 -0.162 0.000 2.113 31 I HA -0.390 3.835 4.170 0.091 0.000 0.242 31 I C 2.699 178.719 176.117 -0.161 0.000 1.057 31 I CA 1.509 62.734 61.300 -0.125 0.000 1.314 31 I CB -0.437 37.529 38.000 -0.055 0.000 1.022 31 I HN 0.258 nan 8.210 nan 0.000 0.408 32 K N 1.241 121.543 120.400 -0.164 0.000 2.063 32 K HA -0.234 4.140 4.320 0.091 0.000 0.208 32 K C 2.211 178.667 176.600 -0.240 0.000 1.048 32 K CA 1.731 57.927 56.287 -0.151 0.000 0.928 32 K CB -0.125 32.318 32.500 -0.095 0.000 0.713 32 K HN 0.340 nan 8.250 nan 0.000 0.442 33 A N 1.500 124.040 122.820 -0.467 0.000 1.883 33 A HA -0.149 4.226 4.320 0.091 0.000 0.217 33 A C 2.207 179.560 177.584 -0.385 0.000 1.186 33 A CA 1.431 53.080 52.037 -0.648 0.000 0.624 33 A CB -0.643 17.413 19.000 -1.573 0.000 0.822 33 A HN 0.327 nan 8.150 nan 0.000 0.444 34 L N -0.480 120.536 121.223 -0.344 0.000 2.046 34 L HA -0.152 4.242 4.340 0.091 0.000 0.208 34 L C 2.505 179.272 176.870 -0.173 0.000 1.077 34 L CA 0.970 55.668 54.840 -0.236 0.000 0.747 34 L CB -0.589 41.343 42.059 -0.211 0.000 0.896 34 L HN 0.243 nan 8.230 nan 0.000 0.432 35 V N -0.247 119.585 119.914 -0.137 0.000 2.380 35 V HA -0.300 3.875 4.120 0.091 0.000 0.251 35 V C 2.427 178.479 176.094 -0.072 0.000 1.063 35 V CA 1.916 64.172 62.300 -0.072 0.000 1.055 35 V CB -0.438 31.356 31.823 -0.048 0.000 0.657 35 V HN 0.395 nan 8.190 nan 0.000 0.455 36 E N -0.287 119.856 120.200 -0.094 0.000 2.158 36 E HA -0.034 4.371 4.350 0.091 0.000 0.191 36 E C 1.959 178.520 176.600 -0.064 0.000 0.982 36 E CA 0.830 57.192 56.400 -0.064 0.000 0.823 36 E CB -0.131 29.535 29.700 -0.057 0.000 0.766 36 E HN 0.623 nan 8.360 nan 0.000 0.468 37 I N -0.720 119.792 120.570 -0.097 0.000 2.333 37 I HA -0.234 3.991 4.170 0.091 0.000 0.246 37 I C 1.995 178.036 176.117 -0.128 0.000 1.106 37 I CA 0.341 61.586 61.300 -0.091 0.000 1.411 37 I CB -0.099 37.838 38.000 -0.105 0.000 1.082 37 I HN 0.193 nan 8.210 nan 0.000 0.420 38 C N 0.468 119.657 119.300 -0.184 0.000 2.440 38 C HA -0.140 4.374 4.460 0.091 0.000 0.278 38 C C 3.026 177.919 174.990 -0.162 0.000 1.295 38 C CA 1.404 60.253 59.018 -0.282 0.000 1.738 38 C CB -1.027 26.430 27.740 -0.471 0.000 1.987 38 C HN 0.496 nan 8.230 nan 0.000 0.492 39 T N 0.538 115.047 114.554 -0.075 0.000 2.665 39 T HA -0.231 4.174 4.350 0.091 0.000 0.268 39 T C 1.731 176.416 174.700 -0.026 0.000 1.035 39 T CA 2.115 64.205 62.100 -0.016 0.000 1.151 39 T CB -0.311 68.554 68.868 -0.005 0.000 0.862 39 T HN 0.568 nan 8.240 nan 0.000 0.438 40 E N 0.662 120.840 120.200 -0.037 0.000 2.152 40 E HA 0.047 4.451 4.350 0.091 0.000 0.192 40 E C 2.098 178.670 176.600 -0.046 0.000 0.983 40 E CA 0.947 57.332 56.400 -0.025 0.000 0.818 40 E CB -0.281 29.415 29.700 -0.008 0.000 0.758 40 E HN 0.501 nan 8.360 nan 0.000 0.467 41 M N -0.157 119.385 119.600 -0.095 0.000 2.200 41 M HA -0.064 4.470 4.480 0.091 0.000 0.265 41 M C 2.302 178.513 176.300 -0.148 0.000 1.066 41 M CA 1.404 56.603 55.300 -0.168 0.000 1.127 41 M CB -0.331 32.086 32.600 -0.305 0.000 1.379 41 M HN 0.163 nan 8.290 nan 0.000 0.420 42 E N 1.491 121.631 120.200 -0.099 0.000 2.038 42 E HA -0.257 4.148 4.350 0.091 0.000 0.195 42 E C 1.804 178.391 176.600 -0.022 0.000 1.000 42 E CA 1.402 57.786 56.400 -0.026 0.000 0.803 42 E CB -0.056 29.690 29.700 0.078 0.000 0.750 42 E HN 0.316 nan 8.360 nan 0.000 0.448 43 K N 0.221 120.612 120.400 -0.014 0.000 2.633 43 K HA -0.123 4.252 4.320 0.091 0.000 0.193 43 K C 0.608 177.202 176.600 -0.009 0.000 1.033 43 K CA 0.881 57.163 56.287 -0.007 0.000 0.980 43 K CB 0.115 32.614 32.500 -0.002 0.000 0.800 43 K HN 0.203 nan 8.250 nan 0.000 0.493 44 E N -1.782 118.404 120.200 -0.023 0.000 2.601 44 E HA 0.116 4.521 4.350 0.091 0.000 0.219 44 E C 0.719 177.308 176.600 -0.018 0.000 0.964 44 E CA 0.257 56.650 56.400 -0.012 0.000 1.050 44 E CB 1.203 30.898 29.700 -0.009 0.000 1.068 44 E HN 0.452 nan 8.360 nan 0.000 0.496 45 G N 2.204 110.982 108.800 -0.036 0.000 3.400 45 G HA2 -0.366 3.648 3.960 0.091 0.000 0.209 45 G HA3 -0.366 3.648 3.960 0.091 0.000 0.209 45 G C 1.105 175.961 174.900 -0.073 0.000 1.411 45 G CA 0.214 45.295 45.100 -0.030 0.000 0.917 45 G HN 0.060 nan 8.290 nan 0.000 0.570 46 K N 1.220 121.543 120.400 -0.128 0.000 2.317 46 K HA -0.245 4.129 4.320 0.091 0.000 0.211 46 K C 1.714 178.132 176.600 -0.305 0.000 1.018 46 K CA 2.453 58.579 56.287 -0.268 0.000 0.925 46 K CB -1.090 31.027 32.500 -0.638 0.000 0.877 46 K HN 1.263 nan 8.250 nan 0.000 0.490 47 I N -5.536 114.878 120.570 -0.260 0.000 3.516 47 I HA 0.548 4.772 4.170 0.091 0.000 0.307 47 I C -0.780 175.324 176.117 -0.022 0.000 1.157 47 I CA -1.125 60.061 61.300 -0.191 0.000 0.983 47 I CB 2.530 40.381 38.000 -0.248 0.000 1.351 47 I HN -0.171 nan 8.210 nan 0.000 0.484 48 S N -0.171 115.572 115.700 0.072 0.000 2.608 48 S HA 0.299 4.823 4.470 0.091 0.000 0.285 48 S C -1.312 173.188 174.600 -0.167 0.000 1.108 48 S CA -1.032 57.168 58.200 -0.000 0.000 0.858 48 S CB 1.742 64.915 63.200 -0.044 0.000 1.077 48 S HN 0.583 nan 8.310 nan 0.000 0.450 49 K N 1.597 121.781 120.400 -0.360 0.000 2.276 49 K HA 0.428 4.803 4.320 0.091 0.000 0.259 49 K C 0.890 177.285 176.600 -0.341 0.000 1.001 49 K CA -0.136 55.793 56.287 -0.596 0.000 0.927 49 K CB 0.309 32.504 32.500 -0.508 0.000 0.969 49 K HN 0.661 nan 8.250 nan 0.000 0.490 50 I N -2.844 117.530 120.570 -0.327 0.000 3.878 50 I HA 0.346 4.570 4.170 0.091 0.000 0.273 50 I C 0.695 176.710 176.117 -0.171 0.000 1.165 50 I CA -0.105 61.071 61.300 -0.207 0.000 1.360 50 I CB 0.579 38.473 38.000 -0.177 0.000 1.539 50 I HN 0.760 nan 8.210 nan 0.000 0.447 51 G N 1.650 110.344 108.800 -0.178 0.000 2.525 51 G HA2 -0.091 3.924 3.960 0.091 0.000 0.685 51 G HA3 -0.091 3.924 3.960 0.091 0.000 0.685 51 G C -2.416 172.418 174.900 -0.111 0.000 1.290 51 G CA -0.329 44.689 45.100 -0.136 0.000 0.915 51 G HN 0.136 nan 8.290 nan 0.000 0.548 52 P HA -0.112 nan 4.420 nan 0.000 0.218 52 P C 1.586 178.833 177.300 -0.088 0.000 1.150 52 P CA 1.778 64.829 63.100 -0.081 0.000 0.841 52 P CB 0.151 31.810 31.700 -0.069 0.000 0.784 53 E N 0.380 120.526 120.200 -0.090 0.000 2.072 53 E HA -0.223 4.181 4.350 0.091 0.000 0.218 53 E C 0.910 177.440 176.600 -0.115 0.000 1.051 53 E CA 1.252 57.596 56.400 -0.094 0.000 0.880 53 E CB -1.103 28.544 29.700 -0.089 0.000 0.783 53 E HN 0.126 nan 8.360 nan 0.000 0.473 54 N N 0.080 118.711 118.700 -0.115 0.000 2.454 54 N HA -0.039 4.756 4.740 0.091 0.000 0.260 54 N C -1.938 173.467 175.510 -0.175 0.000 1.218 54 N CA -0.618 52.353 53.050 -0.131 0.000 0.904 54 N CB 1.040 39.487 38.487 -0.067 0.000 1.065 54 N HN 0.039 nan 8.380 nan 0.000 0.462 55 P HA 0.050 nan 4.420 nan 0.000 0.217 55 P C -0.337 176.778 177.300 -0.307 0.000 1.153 55 P CA 0.874 63.726 63.100 -0.412 0.000 0.843 55 P CB 0.101 31.419 31.700 -0.638 0.000 0.794 56 Y N -0.053 120.249 120.300 0.004 0.000 2.296 56 Y HA 0.361 4.965 4.550 0.091 0.000 0.343 56 Y C 0.808 176.748 175.900 0.067 0.000 1.292 56 Y CA -0.309 57.825 58.100 0.056 0.000 1.490 56 Y CB -0.198 38.316 38.460 0.091 0.000 1.359 56 Y HN -0.163 nan 8.280 nan 0.000 0.599 57 N N -1.018 117.850 118.700 0.279 0.000 2.493 57 N HA 0.311 5.105 4.740 0.091 0.000 0.279 57 N C -1.927 173.726 175.510 0.239 0.000 1.082 57 N CA -0.412 52.769 53.050 0.217 0.000 0.963 57 N CB 1.445 40.019 38.487 0.145 0.000 1.627 57 N HN 0.600 nan 8.380 nan 0.000 0.499 58 T N 4.357 119.070 114.554 0.264 0.000 2.794 58 T HA 0.517 4.921 4.350 0.091 0.000 0.280 58 T C -2.590 172.185 174.700 0.125 0.000 0.987 58 T CA -1.067 61.178 62.100 0.243 0.000 0.993 58 T CB 1.613 70.681 68.868 0.334 0.000 0.939 58 T HN 0.382 nan 8.240 nan 0.000 0.449 59 P HA 0.304 nan 4.420 nan 0.000 0.272 59 P C -0.893 176.156 177.300 -0.418 0.000 1.223 59 P CA -0.337 62.676 63.100 -0.145 0.000 0.784 59 P CB 0.757 32.393 31.700 -0.106 0.000 0.923 60 V N 1.775 121.353 119.914 -0.561 0.000 2.919 60 V HA 0.567 4.742 4.120 0.091 0.000 0.316 60 V C -0.189 175.377 176.094 -0.880 0.000 1.077 60 V CA -0.387 61.562 62.300 -0.586 0.000 0.977 60 V CB 1.372 32.989 31.823 -0.344 0.000 1.039 60 V HN 0.407 nan 8.190 nan 0.000 0.441 61 F N 0.171 119.998 119.950 -0.205 0.000 2.613 61 F HA 0.780 5.362 4.527 0.091 0.000 0.314 61 F C 0.179 175.887 175.800 -0.152 0.000 1.075 61 F CA -0.828 57.062 58.000 -0.183 0.000 0.945 61 F CB 2.173 41.029 39.000 -0.240 0.000 1.310 61 F HN 0.499 nan 8.300 nan 0.000 0.467 62 A N 2.898 125.776 122.820 0.096 0.000 3.064 62 A HA 0.563 4.937 4.320 0.091 0.000 0.339 62 A C -0.135 177.533 177.584 0.140 0.000 1.078 62 A CA -0.539 51.512 52.037 0.023 0.000 0.869 62 A CB -0.820 18.100 19.000 -0.133 0.000 1.067 62 A HN 0.721 nan 8.150 nan 0.000 0.480 63 I N -1.417 119.217 120.570 0.106 0.000 2.932 63 I HA 0.373 4.598 4.170 0.091 0.000 0.295 63 I C -0.039 176.190 176.117 0.186 0.000 1.227 63 I CA 0.174 61.536 61.300 0.103 0.000 1.429 63 I CB 0.442 38.454 38.000 0.020 0.000 1.339 63 I HN 0.349 nan 8.210 nan 0.000 0.589 72 R N 2.560 123.189 120.500 0.216 0.000 2.575 72 R HA 0.391 4.785 4.340 0.091 0.000 0.293 72 R C -0.665 175.641 176.300 0.010 0.000 0.983 72 R CA -0.692 55.454 56.100 0.077 0.000 0.887 72 R CB 1.445 31.775 30.300 0.049 0.000 1.184 72 R HN 0.077 nan 8.270 nan 0.000 0.445 73 K N 3.941 124.315 120.400 -0.043 0.000 2.412 73 K HA 0.222 4.597 4.320 0.091 0.000 0.281 73 K C -1.176 175.363 176.600 -0.102 0.000 1.027 73 K CA -0.259 55.962 56.287 -0.110 0.000 0.989 73 K CB 0.451 32.856 32.500 -0.157 0.000 0.935 73 K HN 0.497 nan 8.250 nan 0.000 0.475 74 L N 5.478 126.632 121.223 -0.117 0.000 2.404 74 L HA 0.321 4.715 4.340 0.091 0.000 0.272 74 L C -1.572 175.204 176.870 -0.157 0.000 0.980 74 L CA -0.571 54.215 54.840 -0.090 0.000 0.836 74 L CB 1.965 44.026 42.059 0.004 0.000 1.238 74 L HN 0.342 nan 8.230 nan 0.000 0.408 75 V N 3.776 123.534 119.914 -0.260 0.000 2.347 75 V HA 0.314 4.489 4.120 0.091 0.000 0.280 75 V C -0.345 175.566 176.094 -0.306 0.000 1.021 75 V CA -0.638 61.410 62.300 -0.420 0.000 0.847 75 V CB 1.363 32.724 31.823 -0.771 0.000 0.990 75 V HN 0.667 nan 8.190 nan 0.000 0.444 76 D N 3.852 124.185 120.400 -0.111 0.000 2.455 76 D HA 0.157 4.851 4.640 0.091 0.000 0.234 76 D C 0.648 177.043 176.300 0.159 0.000 1.224 76 D CA 0.257 54.299 54.000 0.070 0.000 0.999 76 D CB -0.025 40.903 40.800 0.212 0.000 1.072 76 D HN 0.538 nan 8.370 nan 0.000 0.514 77 F N 1.407 121.424 119.950 0.111 0.000 2.789 77 F HA 0.028 4.610 4.527 0.091 0.000 0.300 77 F C 2.016 177.904 175.800 0.147 0.000 1.132 77 F CA -0.627 57.463 58.000 0.151 0.000 1.404 77 F CB 0.420 39.532 39.000 0.186 0.000 1.114 77 F HN 0.157 nan 8.300 nan 0.000 0.584 78 R N 0.873 121.544 120.500 0.285 0.000 2.154 78 R HA -0.234 4.160 4.340 0.091 0.000 0.248 78 R C 1.512 177.913 176.300 0.168 0.000 1.155 78 R CA 1.202 57.409 56.100 0.180 0.000 0.979 78 R CB -0.551 29.825 30.300 0.126 0.000 0.869 78 R HN 0.086 nan 8.270 nan 0.000 0.452 79 E N -0.981 119.342 120.200 0.205 0.000 2.476 79 E HA 0.034 4.438 4.350 0.091 0.000 0.191 79 E C 0.711 177.415 176.600 0.173 0.000 1.064 79 E CA 0.152 56.659 56.400 0.178 0.000 0.866 79 E CB 0.170 29.985 29.700 0.191 0.000 0.952 79 E HN 0.198 nan 8.360 nan 0.000 0.492 80 L N -0.875 120.463 121.223 0.192 0.000 2.878 80 L HA 0.350 4.744 4.340 0.091 0.000 0.253 80 L C 0.567 177.536 176.870 0.165 0.000 1.135 80 L CA 0.415 55.343 54.840 0.146 0.000 0.943 80 L CB 0.306 42.418 42.059 0.089 0.000 1.307 80 L HN -0.039 nan 8.230 nan 0.000 0.545 81 N N -0.069 118.714 118.700 0.138 0.000 2.373 81 N HA -0.006 4.788 4.740 0.091 0.000 0.181 81 N C 1.214 176.749 175.510 0.041 0.000 1.082 81 N CA 0.303 53.388 53.050 0.059 0.000 0.885 81 N CB 0.291 38.792 38.487 0.024 0.000 0.977 81 N HN 0.369 nan 8.380 nan 0.000 0.462 82 K N 1.167 121.606 120.400 0.065 0.000 2.426 82 K HA 0.120 4.495 4.320 0.091 0.000 0.193 82 K C 0.639 177.262 176.600 0.038 0.000 1.028 82 K CA 0.255 56.570 56.287 0.047 0.000 1.047 82 K CB 0.401 32.938 32.500 0.061 0.000 0.821 82 K HN 0.069 nan 8.250 nan 0.000 0.513 83 R N -0.229 120.298 120.500 0.046 0.000 2.600 83 R HA 0.181 4.576 4.340 0.091 0.000 0.392 83 R C -0.506 175.809 176.300 0.026 0.000 1.032 83 R CA -0.199 55.913 56.100 0.020 0.000 1.139 83 R CB 0.704 31.005 30.300 0.001 0.000 1.400 83 R HN -0.124 nan 8.270 nan 0.000 0.566 84 T N 2.261 116.855 114.554 0.067 0.000 2.895 84 T HA 0.194 4.599 4.350 0.091 0.000 0.283 84 T C 0.236 174.914 174.700 -0.036 0.000 1.014 84 T CA -0.668 61.499 62.100 0.111 0.000 1.037 84 T CB 2.132 71.130 68.868 0.218 0.000 1.006 84 T HN 0.229 nan 8.240 nan 0.000 0.468 85 Q N 1.604 121.325 119.800 -0.130 0.000 2.726 85 Q HA 0.090 4.484 4.340 0.091 0.000 0.242 85 Q C -0.932 174.817 176.000 -0.418 0.000 1.130 85 Q CA -0.079 55.554 55.803 -0.283 0.000 1.031 85 Q CB 0.297 28.805 28.738 -0.383 0.000 1.326 85 Q HN 0.416 nan 8.270 nan 0.000 0.572 86 D N -0.070 120.104 120.400 -0.376 0.000 2.193 86 D HA 0.412 5.106 4.640 0.091 0.000 0.249 86 D C -0.948 175.097 176.300 -0.426 0.000 1.034 86 D CA -0.199 53.645 54.000 -0.259 0.000 0.902 86 D CB 0.712 41.451 40.800 -0.102 0.000 1.182 86 D HN 0.334 nan 8.370 nan 0.000 0.436 87 F N -0.123 119.791 119.950 -0.060 0.000 2.556 87 F HA 0.264 4.845 4.527 0.091 0.000 0.327 87 F C 0.437 176.292 175.800 0.091 0.000 1.059 87 F CA -1.228 56.769 58.000 -0.004 0.000 0.953 87 F CB 1.106 40.055 39.000 -0.085 0.000 1.227 87 F HN 0.264 nan 8.300 nan 0.000 0.478 88 W N 5.117 126.496 121.300 0.133 0.000 2.712 88 W HA 0.014 4.729 4.660 0.091 0.000 0.345 88 W C 0.584 177.141 176.519 0.062 0.000 1.424 88 W CA -0.213 57.171 57.345 0.066 0.000 1.375 88 W CB 0.179 29.671 29.460 0.053 0.000 1.483 88 W HN 0.632 nan 8.180 nan 0.000 0.561 89 E N 3.540 123.448 120.200 -0.486 0.000 2.641 89 E HA -0.169 4.235 4.350 0.091 0.000 0.272 89 E C 0.142 176.456 176.600 -0.476 0.000 0.990 89 E CA 0.371 56.496 56.400 -0.459 0.000 0.971 89 E CB 1.143 30.552 29.700 -0.485 0.000 0.967 89 E HN 0.416 nan 8.360 nan 0.000 0.464 90 V N 2.922 122.691 119.914 -0.243 0.000 2.300 90 V HA -0.150 4.025 4.120 0.091 0.000 0.241 90 V C 1.526 177.555 176.094 -0.108 0.000 1.034 90 V CA 1.247 63.461 62.300 -0.143 0.000 1.021 90 V CB -0.351 31.426 31.823 -0.076 0.000 0.662 90 V HN 0.643 nan 8.190 nan 0.000 0.458 91 Q N 1.504 121.251 119.800 -0.088 0.000 3.223 91 Q HA 0.184 4.578 4.340 0.091 0.000 0.299 91 Q C -0.476 175.479 176.000 -0.075 0.000 1.385 91 Q CA 0.198 55.980 55.803 -0.035 0.000 0.942 91 Q CB -0.559 28.170 28.738 -0.015 0.000 1.748 91 Q HN 0.556 nan 8.270 nan 0.000 0.523 92 L N 0.608 121.773 121.223 -0.095 0.000 2.515 92 L HA 0.314 4.709 4.340 0.091 0.000 0.281 92 L C 0.978 177.842 176.870 -0.010 0.000 1.131 92 L CA -0.019 54.765 54.840 -0.093 0.000 0.905 92 L CB -0.415 41.599 42.059 -0.074 0.000 1.246 92 L HN 0.464 nan 8.230 nan 0.000 0.463 93 G N 2.051 110.843 108.800 -0.014 0.000 2.663 93 G HA2 -0.136 3.878 3.960 0.091 0.000 0.686 93 G HA3 -0.136 3.878 3.960 0.091 0.000 0.686 93 G C 0.037 174.945 174.900 0.014 0.000 1.288 93 G CA -0.663 44.441 45.100 0.007 0.000 0.836 93 G HN 0.249 nan 8.290 nan 0.000 0.584 94 I N 2.142 122.720 120.570 0.012 0.000 2.102 94 I HA 0.143 4.367 4.170 0.091 0.000 0.228 94 I C -0.228 175.919 176.117 0.051 0.000 1.057 94 I CA 1.989 63.293 61.300 0.007 0.000 1.334 94 I CB -1.261 36.742 38.000 0.004 0.000 1.096 94 I HN 0.685 nan 8.210 nan 0.000 0.396 95 P HA 0.152 nan 4.420 nan 0.000 0.288 95 P C -0.982 176.327 177.300 0.016 0.000 1.297 95 P CA -0.340 62.790 63.100 0.051 0.000 0.864 95 P CB 1.181 32.890 31.700 0.015 0.000 1.237 96 H N 0.600 119.541 119.070 -0.215 0.000 2.489 96 H HA 0.222 4.833 4.556 0.091 0.000 0.322 96 H C -1.672 173.348 175.328 -0.513 0.000 1.091 96 H CA -1.770 54.049 56.048 -0.382 0.000 1.291 96 H CB 1.263 30.767 29.762 -0.430 0.000 1.436 96 H HN 0.126 nan 8.280 nan 0.000 0.480 97 P HA -0.149 nan 4.420 nan 0.000 0.217 97 P C 0.800 177.892 177.300 -0.348 0.000 1.148 97 P CA 1.782 64.484 63.100 -0.664 0.000 0.834 97 P CB 0.186 31.143 31.700 -1.238 0.000 0.783 98 A N -0.982 121.672 122.820 -0.276 0.000 2.235 98 A HA 0.185 4.559 4.320 0.091 0.000 0.208 98 A C 2.150 179.841 177.584 0.179 0.000 1.172 98 A CA 1.203 53.296 52.037 0.093 0.000 0.786 98 A CB -1.208 17.924 19.000 0.220 0.000 0.804 98 A HN 0.294 nan 8.150 nan 0.000 0.479 99 G N -0.651 108.055 108.800 -0.157 0.000 2.662 99 G HA2 0.247 4.261 3.960 0.091 0.000 0.212 99 G HA3 0.247 4.261 3.960 0.091 0.000 0.212 99 G C 0.598 175.533 174.900 0.059 0.000 1.141 99 G CA -0.305 44.602 45.100 -0.321 0.000 0.797 99 G HN 0.391 nan 8.290 nan 0.000 0.531 100 L N 1.454 122.718 121.223 0.067 0.000 2.559 100 L HA 0.096 4.490 4.340 0.091 0.000 0.274 100 L C 0.144 177.144 176.870 0.218 0.000 1.205 100 L CA 0.039 54.919 54.840 0.066 0.000 0.907 100 L CB 0.535 42.574 42.059 -0.035 0.000 1.153 100 L HN 0.071 nan 8.230 nan 0.000 0.490 101 K N 3.680 124.175 120.400 0.158 0.000 2.322 101 K HA 0.135 4.509 4.320 0.091 0.000 0.283 101 K C -0.069 176.545 176.600 0.023 0.000 1.042 101 K CA -0.316 56.061 56.287 0.150 0.000 0.958 101 K CB 0.673 33.236 32.500 0.104 0.000 0.984 101 K HN 0.308 nan 8.250 nan 0.000 0.473 102 K N 3.876 124.297 120.400 0.035 0.000 2.349 102 K HA 0.035 4.409 4.320 0.091 0.000 0.289 102 K C -0.437 176.138 176.600 -0.041 0.000 1.064 102 K CA -0.266 55.999 56.287 -0.037 0.000 0.947 102 K CB 0.415 32.961 32.500 0.076 0.000 1.007 102 K HN 0.299 nan 8.250 nan 0.000 0.478 103 K N 3.276 123.634 120.400 -0.070 0.000 2.210 103 K HA 0.203 4.578 4.320 0.091 0.000 0.236 103 K C 0.557 177.125 176.600 -0.054 0.000 1.016 103 K CA -0.604 55.656 56.287 -0.046 0.000 0.913 103 K CB 0.843 33.322 32.500 -0.034 0.000 1.141 103 K HN 0.418 nan 8.250 nan 0.000 0.462 104 K N 0.392 120.757 120.400 -0.059 0.000 2.137 104 K HA 0.070 4.444 4.320 0.091 0.000 0.202 104 K C -0.029 176.501 176.600 -0.116 0.000 1.052 104 K CA 0.790 57.036 56.287 -0.068 0.000 0.961 104 K CB 0.361 32.827 32.500 -0.057 0.000 0.741 104 K HN 0.467 nan 8.250 nan 0.000 0.452 105 S N 0.191 115.763 115.700 -0.214 0.000 2.547 105 S HA 0.465 4.989 4.470 0.091 0.000 0.281 105 S C -1.071 173.338 174.600 -0.319 0.000 1.118 105 S CA -0.961 57.026 58.200 -0.353 0.000 0.947 105 S CB 2.744 65.527 63.200 -0.694 0.000 1.053 105 S HN -0.146 nan 8.310 nan 0.000 0.482 106 V N 2.318 122.176 119.914 -0.093 0.000 2.569 106 V HA 0.572 4.747 4.120 0.091 0.000 0.301 106 V C -0.374 175.843 176.094 0.206 0.000 1.044 106 V CA -0.546 61.820 62.300 0.110 0.000 0.874 106 V CB 1.917 33.834 31.823 0.156 0.000 1.002 106 V HN 0.968 nan 8.190 nan 0.000 0.424 107 T N 3.529 118.248 114.554 0.274 0.000 2.888 107 T HA 0.623 5.027 4.350 0.091 0.000 0.284 107 T C -0.603 174.110 174.700 0.022 0.000 1.017 107 T CA -0.531 61.675 62.100 0.176 0.000 1.022 107 T CB 2.199 71.169 68.868 0.170 0.000 1.013 107 T HN 0.559 nan 8.240 nan 0.000 0.465 108 V N 4.416 124.283 119.914 -0.078 0.000 2.409 108 V HA 0.559 4.734 4.120 0.091 0.000 0.291 108 V C -1.414 174.537 176.094 -0.239 0.000 1.020 108 V CA -0.911 61.179 62.300 -0.351 0.000 0.848 108 V CB 0.773 32.291 31.823 -0.509 0.000 0.990 108 V HN 0.602 nan 8.190 nan 0.000 0.430 109 L N 5.406 126.477 121.223 -0.254 0.000 2.309 109 L HA 0.620 5.015 4.340 0.091 0.000 0.282 109 L C 0.000 176.780 176.870 -0.150 0.000 1.036 109 L CA -0.100 54.643 54.840 -0.163 0.000 0.806 109 L CB 1.421 43.392 42.059 -0.147 0.000 1.220 109 L HN 0.689 nan 8.230 nan 0.000 0.429 110 D N 1.200 121.546 120.400 -0.089 0.000 2.210 110 D HA 0.332 5.027 4.640 0.091 0.000 0.249 110 D C 0.637 176.917 176.300 -0.033 0.000 1.078 110 D CA -0.269 53.697 54.000 -0.057 0.000 0.875 110 D CB 2.332 43.117 40.800 -0.025 0.000 1.175 110 D HN 0.330 nan 8.370 nan 0.000 0.440 111 V N 2.061 121.967 119.914 -0.013 0.000 2.721 111 V HA 0.365 4.540 4.120 0.091 0.000 0.236 111 V C 1.787 177.909 176.094 0.046 0.000 1.116 111 V CA 1.295 63.612 62.300 0.029 0.000 1.148 111 V CB -1.060 30.820 31.823 0.094 0.000 0.886 111 V HN 0.728 nan 8.190 nan 0.000 0.490 112 G N 2.583 111.400 108.800 0.029 0.000 2.879 112 G HA2 -0.559 3.456 3.960 0.091 0.000 0.353 112 G HA3 -0.559 3.456 3.960 0.091 0.000 0.353 112 G C 0.963 175.919 174.900 0.092 0.000 1.182 112 G CA 1.706 46.833 45.100 0.045 0.000 0.957 112 G HN 0.988 nan 8.290 nan 0.000 0.587 113 D N 1.945 122.393 120.400 0.080 0.000 2.357 113 D HA 0.203 4.897 4.640 0.091 0.000 0.216 113 D C 2.145 178.545 176.300 0.167 0.000 0.973 113 D CA 1.880 55.945 54.000 0.110 0.000 0.912 113 D CB -0.903 39.959 40.800 0.103 0.000 0.900 113 D HN 1.158 nan 8.370 nan 0.000 0.501 114 A N -1.006 121.908 122.820 0.157 0.000 2.264 114 A HA -0.072 4.302 4.320 0.091 0.000 0.207 114 A C 1.582 179.328 177.584 0.271 0.000 1.196 114 A CA 0.206 52.363 52.037 0.199 0.000 0.778 114 A CB -0.956 18.155 19.000 0.185 0.000 0.779 114 A HN 0.253 nan 8.150 nan 0.000 0.483 115 Y N -1.044 119.310 120.300 0.091 0.000 2.130 115 Y HA -0.084 4.521 4.550 0.091 0.000 0.287 115 Y C 1.605 177.581 175.900 0.127 0.000 1.124 115 Y CA 1.851 59.937 58.100 -0.024 0.000 1.118 115 Y CB -0.316 37.962 38.460 -0.304 0.000 0.994 115 Y HN 0.378 nan 8.280 nan 0.000 0.497 116 F N -1.051 119.106 119.950 0.346 0.000 2.802 116 F HA 0.012 4.593 4.527 0.091 0.000 0.300 116 F C 2.366 178.293 175.800 0.212 0.000 1.168 116 F CA 0.762 58.924 58.000 0.269 0.000 1.433 116 F CB -0.971 38.153 39.000 0.206 0.000 1.115 116 F HN -0.081 nan 8.300 nan 0.000 0.582 117 S N -0.066 115.853 115.700 0.366 0.000 2.720 117 S HA 0.135 4.659 4.470 0.091 0.000 0.222 117 S C 0.240 174.963 174.600 0.205 0.000 0.958 117 S CA 0.035 58.385 58.200 0.249 0.000 0.943 117 S CB -0.643 62.676 63.200 0.199 0.000 0.779 117 S HN -0.094 nan 8.310 nan 0.000 0.526 118 V N 2.937 122.993 119.914 0.237 0.000 2.588 118 V HA 0.459 4.633 4.120 0.091 0.000 0.304 118 V C -2.593 173.613 176.094 0.188 0.000 1.042 118 V CA -2.219 60.187 62.300 0.177 0.000 0.877 118 V CB 1.977 33.892 31.823 0.153 0.000 0.996 118 V HN 0.118 nan 8.190 nan 0.000 0.425 119 P HA 0.302 nan 4.420 nan 0.000 0.275 119 P C -0.903 176.470 177.300 0.121 0.000 1.227 119 P CA -0.350 62.828 63.100 0.131 0.000 0.781 119 P CB 0.774 32.538 31.700 0.108 0.000 0.906 120 L N 2.530 123.821 121.223 0.113 0.000 2.322 120 L HA 0.395 4.789 4.340 0.091 0.000 0.279 120 L C -0.104 176.824 176.870 0.096 0.000 1.036 120 L CA -0.686 54.199 54.840 0.075 0.000 0.807 120 L CB 0.887 42.976 42.059 0.049 0.000 1.226 120 L HN 0.275 nan 8.230 nan 0.000 0.433 121 D N 2.197 122.659 120.400 0.103 0.000 2.520 121 D HA -0.094 4.601 4.640 0.091 0.000 0.243 121 D C 1.146 177.541 176.300 0.158 0.000 1.160 121 D CA 0.773 54.856 54.000 0.137 0.000 0.877 121 D CB 0.762 41.661 40.800 0.165 0.000 1.150 121 D HN 0.708 nan 8.370 nan 0.000 0.494 122 E N 2.533 122.803 120.200 0.116 0.000 2.219 122 E HA -0.246 4.158 4.350 0.091 0.000 0.198 122 E C 0.570 177.229 176.600 0.098 0.000 0.998 122 E CA 1.248 57.704 56.400 0.092 0.000 0.818 122 E CB 0.219 29.958 29.700 0.066 0.000 0.741 122 E HN 0.582 nan 8.360 nan 0.000 0.477 123 D N -1.059 119.424 120.400 0.138 0.000 2.340 123 D HA -0.044 4.650 4.640 0.091 0.000 0.220 123 D C 0.958 177.396 176.300 0.230 0.000 1.039 123 D CA 0.187 54.274 54.000 0.145 0.000 0.866 123 D CB 0.193 41.081 40.800 0.147 0.000 0.913 123 D HN 0.233 nan 8.370 nan 0.000 0.523 124 F N 1.584 121.610 119.950 0.126 0.000 2.383 124 F HA 0.126 4.708 4.527 0.091 0.000 0.287 124 F C 2.184 178.075 175.800 0.150 0.000 1.069 124 F CA 0.260 58.386 58.000 0.210 0.000 1.402 124 F CB 0.180 39.235 39.000 0.091 0.000 1.116 124 F HN -0.322 nan 8.300 nan 0.000 0.549 125 R N 1.320 121.880 120.500 0.100 0.000 2.224 125 R HA -0.354 4.040 4.340 0.091 0.000 0.251 125 R C 2.187 178.404 176.300 -0.138 0.000 1.123 125 R CA 2.928 59.032 56.100 0.006 0.000 0.944 125 R CB -1.032 29.297 30.300 0.049 0.000 0.910 125 R HN 0.409 nan 8.270 nan 0.000 0.440 126 K N -0.241 120.028 120.400 -0.219 0.000 2.227 126 K HA -0.273 4.102 4.320 0.091 0.000 0.208 126 K C 1.590 177.967 176.600 -0.372 0.000 1.045 126 K CA 2.437 58.548 56.287 -0.293 0.000 0.931 126 K CB -0.679 31.575 32.500 -0.410 0.000 0.721 126 K HN 0.346 nan 8.250 nan 0.000 0.469 127 Y N 1.844 121.881 120.300 -0.439 0.000 2.561 127 Y HA -0.019 4.586 4.550 0.091 0.000 0.291 127 Y C 1.948 177.670 175.900 -0.297 0.000 1.141 127 Y CA 1.102 58.821 58.100 -0.635 0.000 1.303 127 Y CB -0.139 37.695 38.460 -1.043 0.000 1.015 127 Y HN 0.343 nan 8.280 nan 0.000 0.547 128 T N -2.053 112.492 114.554 -0.016 0.000 3.312 128 T HA 0.530 4.935 4.350 0.091 0.000 0.251 128 T C 0.574 175.557 174.700 0.471 0.000 1.012 128 T CA -0.201 62.082 62.100 0.306 0.000 0.925 128 T CB -0.686 68.390 68.868 0.346 0.000 1.049 128 T HN 0.185 nan 8.240 nan 0.000 0.583 129 A N 1.919 124.908 122.820 0.282 0.000 2.409 129 A HA 0.617 4.991 4.320 0.091 0.000 0.262 129 A C -0.128 177.628 177.584 0.287 0.000 1.113 129 A CA -0.795 51.356 52.037 0.190 0.000 0.790 129 A CB -0.312 18.755 19.000 0.111 0.000 1.046 129 A HN 0.733 nan 8.150 nan 0.000 0.496 130 F N 0.312 120.365 119.950 0.172 0.000 2.611 130 F HA 0.841 5.422 4.527 0.091 0.000 0.324 130 F C -0.214 175.645 175.800 0.100 0.000 1.061 130 F CA -0.899 57.166 58.000 0.108 0.000 0.954 130 F CB 1.663 40.691 39.000 0.045 0.000 1.301 130 F HN 0.386 nan 8.300 nan 0.000 0.482 131 T N 2.982 117.722 114.554 0.310 0.000 2.841 131 T HA 0.591 4.995 4.350 0.091 0.000 0.285 131 T C -1.220 173.612 174.700 0.221 0.000 0.991 131 T CA -0.614 61.594 62.100 0.181 0.000 0.966 131 T CB 0.527 69.450 68.868 0.091 0.000 0.962 131 T HN 0.558 nan 8.240 nan 0.000 0.438 132 I N 8.269 128.970 120.570 0.218 0.000 2.307 132 I HA 0.353 4.578 4.170 0.091 0.000 0.289 132 I C -1.917 174.250 176.117 0.084 0.000 1.021 132 I CA -2.935 58.461 61.300 0.160 0.000 1.224 132 I CB 1.088 39.217 38.000 0.214 0.000 1.376 132 I HN 0.472 nan 8.210 nan 0.000 0.470 133 P HA -0.002 nan 4.420 nan 0.000 0.268 133 P C 0.056 177.367 177.300 0.018 0.000 1.208 133 P CA -0.182 62.935 63.100 0.028 0.000 0.777 133 P CB 0.390 32.104 31.700 0.023 0.000 0.875 134 S N 1.609 117.316 115.700 0.011 0.000 2.670 134 S HA -0.036 4.488 4.470 0.091 0.000 0.308 134 S C 1.434 176.036 174.600 0.003 0.000 1.232 134 S CA -0.426 57.778 58.200 0.005 0.000 1.126 134 S CB -0.930 62.271 63.200 0.001 0.000 0.897 134 S HN 0.205 nan 8.310 nan 0.000 0.508 135 I N 2.781 123.352 120.570 0.001 0.000 2.231 135 I HA -0.258 3.967 4.170 0.091 0.000 0.251 135 I C 1.088 177.204 176.117 -0.001 0.000 1.076 135 I CA 2.040 63.338 61.300 -0.004 0.000 1.347 135 I CB -1.625 36.372 38.000 -0.004 0.000 1.038 135 I HN 1.066 nan 8.210 nan 0.000 0.429 143 R N 4.465 124.834 120.500 -0.219 0.000 2.357 143 R HA 0.693 5.087 4.340 0.091 0.000 0.296 143 R C -1.263 174.697 176.300 -0.567 0.000 1.052 143 R CA -0.557 55.379 56.100 -0.274 0.000 0.988 143 R CB 1.292 31.468 30.300 -0.207 0.000 1.025 143 R HN 0.495 nan 8.270 nan 0.000 0.469 144 Y N -0.017 119.838 120.300 -0.742 0.000 2.790 144 Y HA 0.325 4.929 4.550 0.091 0.000 0.323 144 Y C 0.014 175.521 175.900 -0.654 0.000 1.230 144 Y CA -0.857 56.756 58.100 -0.810 0.000 1.121 144 Y CB 1.717 39.450 38.460 -1.211 0.000 1.328 144 Y HN 0.460 nan 8.280 nan 0.000 0.514 145 Q N -0.044 119.655 119.800 -0.168 0.000 2.479 145 Q HA 0.377 4.772 4.340 0.091 0.000 0.276 145 Q C -2.315 173.746 176.000 0.101 0.000 0.989 145 Q CA -0.822 55.001 55.803 0.033 0.000 0.864 145 Q CB 1.643 30.381 28.738 0.001 0.000 1.444 145 Q HN 0.709 nan 8.270 nan 0.000 0.388 146 Y N 1.850 122.251 120.300 0.169 0.000 2.304 146 Y HA 0.235 4.840 4.550 0.091 0.000 0.327 146 Y C 0.589 176.533 175.900 0.074 0.000 1.209 146 Y CA 0.373 58.557 58.100 0.141 0.000 1.299 146 Y CB 1.021 39.602 38.460 0.202 0.000 1.249 146 Y HN 0.714 nan 8.280 nan 0.000 0.519 147 N N 0.915 119.734 118.700 0.197 0.000 2.238 147 N HA 0.186 4.980 4.740 0.091 0.000 0.235 147 N C -1.486 174.127 175.510 0.172 0.000 1.209 147 N CA 0.174 53.305 53.050 0.134 0.000 0.879 147 N CB 0.854 39.380 38.487 0.065 0.000 1.136 147 N HN 0.293 nan 8.380 nan 0.000 0.517 148 V N -2.946 117.134 119.914 0.277 0.000 3.120 148 V HA 0.450 4.624 4.120 0.091 0.000 0.303 148 V C -0.072 176.219 176.094 0.327 0.000 1.238 148 V CA -1.347 61.134 62.300 0.302 0.000 1.008 148 V CB 1.813 33.847 31.823 0.352 0.000 1.064 148 V HN -0.107 nan 8.190 nan 0.000 0.434 149 L N 4.142 125.534 121.223 0.281 0.000 2.852 149 L HA 0.120 4.514 4.340 0.091 0.000 0.281 149 L C -1.672 175.385 176.870 0.313 0.000 1.110 149 L CA -0.478 54.520 54.840 0.264 0.000 1.030 149 L CB -0.357 41.885 42.059 0.306 0.000 1.405 149 L HN 0.547 nan 8.230 nan 0.000 0.464 150 P HA -0.030 nan 4.420 nan 0.000 0.272 150 P C -0.707 176.686 177.300 0.155 0.000 1.240 150 P CA -0.493 62.522 63.100 -0.141 0.000 0.791 150 P CB 0.730 32.107 31.700 -0.538 0.000 0.978 151 Q N 0.394 120.235 119.800 0.067 0.000 2.279 151 Q HA 0.448 4.842 4.340 0.091 0.000 0.256 151 Q C 0.875 176.930 176.000 0.093 0.000 0.937 151 Q CA 0.797 56.586 55.803 -0.024 0.000 0.933 151 Q CB -0.456 28.145 28.738 -0.228 0.000 1.189 151 Q HN 0.835 nan 8.270 nan 0.000 0.417 152 G N 3.251 112.137 108.800 0.144 0.000 2.134 152 G HA2 -0.237 3.778 3.960 0.091 0.000 0.209 152 G HA3 -0.237 3.778 3.960 0.091 0.000 0.209 152 G C -0.935 174.208 174.900 0.406 0.000 0.993 152 G CA -0.090 45.140 45.100 0.217 0.000 0.669 152 G HN 0.560 nan 8.290 nan 0.000 0.519 153 W N 2.005 123.377 121.300 0.119 0.000 2.329 153 W HA 0.628 5.342 4.660 0.091 0.000 0.312 153 W C 1.193 177.667 176.519 -0.075 0.000 1.054 153 W CA -1.004 56.335 57.345 -0.010 0.000 1.245 153 W CB 0.986 30.385 29.460 -0.102 0.000 1.255 153 W HN 0.107 nan 8.180 nan 0.000 0.436 154 K N 2.847 122.878 120.400 -0.615 0.000 2.117 154 K HA -0.235 4.139 4.320 0.091 0.000 0.215 154 K C 1.519 177.544 176.600 -0.958 0.000 1.053 154 K CA 2.276 58.192 56.287 -0.618 0.000 0.935 154 K CB -0.596 31.638 32.500 -0.444 0.000 0.719 154 K HN 0.705 nan 8.250 nan 0.000 0.460 155 G N -0.872 106.751 108.800 -1.961 0.000 3.088 155 G HA2 -0.000 4.014 3.960 0.091 0.000 0.212 155 G HA3 -0.000 4.014 3.960 0.091 0.000 0.212 155 G C 0.955 175.123 174.900 -1.221 0.000 1.173 155 G CA 0.137 43.778 45.100 -2.431 0.000 0.779 155 G HN 0.276 nan 8.290 nan 0.000 0.540 156 S N 1.430 116.851 115.700 -0.464 0.000 2.377 156 S HA -0.007 4.517 4.470 0.091 0.000 0.223 156 S C -0.142 174.417 174.600 -0.068 0.000 1.030 156 S CA 0.762 58.984 58.200 0.036 0.000 0.970 156 S CB -0.467 62.904 63.200 0.285 0.000 0.830 156 S HN 0.256 nan 8.310 nan 0.000 0.473 157 P HA -0.008 nan 4.420 nan 0.000 0.215 157 P C 1.513 178.762 177.300 -0.086 0.000 1.157 157 P CA 1.392 64.416 63.100 -0.126 0.000 0.863 157 P CB -0.111 31.497 31.700 -0.153 0.000 0.787 158 A N -0.403 122.298 122.820 -0.199 0.000 1.865 158 A HA -0.202 4.172 4.320 0.091 0.000 0.217 158 A C 2.237 179.778 177.584 -0.072 0.000 1.191 158 A CA 1.715 53.667 52.037 -0.141 0.000 0.623 158 A CB -1.715 17.152 19.000 -0.221 0.000 0.826 158 A HN 0.094 nan 8.150 nan 0.000 0.444 159 I N -1.901 118.595 120.570 -0.123 0.000 2.226 159 I HA -0.241 3.983 4.170 0.091 0.000 0.245 159 I C 2.377 178.492 176.117 -0.003 0.000 1.100 159 I CA 1.692 62.977 61.300 -0.024 0.000 1.374 159 I CB -0.422 37.588 38.000 0.015 0.000 1.057 159 I HN 0.466 nan 8.210 nan 0.000 0.413 160 F N 1.679 121.558 119.950 -0.118 0.000 2.026 160 F HA -0.328 4.253 4.527 0.091 0.000 0.296 160 F C 2.807 178.520 175.800 -0.144 0.000 1.133 160 F CA 2.197 60.107 58.000 -0.150 0.000 1.188 160 F CB -0.585 38.267 39.000 -0.247 0.000 0.968 160 F HN 0.011 nan 8.300 nan 0.000 0.476 161 Q N -0.135 119.722 119.800 0.095 0.000 2.096 161 Q HA -0.283 4.112 4.340 0.091 0.000 0.208 161 Q C 2.431 178.357 176.000 -0.123 0.000 0.993 161 Q CA 2.350 58.146 55.803 -0.012 0.000 0.862 161 Q CB -0.556 28.208 28.738 0.044 0.000 0.915 161 Q HN 0.528 nan 8.270 nan 0.000 0.416 162 S N -0.534 115.122 115.700 -0.074 0.000 2.356 162 S HA -0.145 4.380 4.470 0.091 0.000 0.223 162 S C 2.073 176.591 174.600 -0.136 0.000 1.032 162 S CA 1.697 59.861 58.200 -0.060 0.000 1.005 162 S CB -0.288 62.913 63.200 0.002 0.000 0.867 162 S HN 0.500 nan 8.310 nan 0.000 0.449 163 S N 1.453 117.041 115.700 -0.188 0.000 2.353 163 S HA -0.158 4.367 4.470 0.091 0.000 0.222 163 S C 1.873 176.262 174.600 -0.353 0.000 1.035 163 S CA 1.824 59.880 58.200 -0.240 0.000 1.025 163 S CB -0.585 62.463 63.200 -0.253 0.000 0.902 163 S HN 0.608 nan 8.310 nan 0.000 0.440 164 M N 2.160 121.472 119.600 -0.480 0.000 2.106 164 M HA -0.127 4.408 4.480 0.091 0.000 0.259 164 M C 1.892 177.993 176.300 -0.331 0.000 1.068 164 M CA 1.776 56.784 55.300 -0.487 0.000 1.100 164 M CB -1.519 30.741 32.600 -0.567 0.000 1.351 164 M HN 0.251 nan 8.290 nan 0.000 0.404 165 T N 0.526 114.941 114.554 -0.232 0.000 2.746 165 T HA -0.163 4.242 4.350 0.091 0.000 0.267 165 T C 1.797 176.401 174.700 -0.161 0.000 1.039 165 T CA 1.822 63.833 62.100 -0.148 0.000 1.142 165 T CB -0.271 68.550 68.868 -0.078 0.000 0.866 165 T HN 0.479 nan 8.240 nan 0.000 0.444 166 K N 0.626 120.911 120.400 -0.190 0.000 2.063 166 K HA -0.002 4.373 4.320 0.091 0.000 0.208 166 K C 2.264 178.677 176.600 -0.311 0.000 1.048 166 K CA 1.167 57.337 56.287 -0.195 0.000 0.928 166 K CB -0.369 32.022 32.500 -0.181 0.000 0.713 166 K HN 0.349 nan 8.250 nan 0.000 0.442 167 I N 1.078 121.346 120.570 -0.504 0.000 2.179 167 I HA -0.293 3.932 4.170 0.091 0.000 0.242 167 I C 2.229 178.092 176.117 -0.423 0.000 1.088 167 I CA 1.306 62.141 61.300 -0.775 0.000 1.357 167 I CB -0.264 37.171 38.000 -0.942 0.000 1.051 167 I HN 0.123 nan 8.210 nan 0.000 0.409 168 L N 0.183 121.229 121.223 -0.294 0.000 2.093 168 L HA -0.184 4.210 4.340 0.091 0.000 0.208 168 L C 2.577 179.480 176.870 0.055 0.000 1.085 168 L CA 0.986 55.767 54.840 -0.098 0.000 0.755 168 L CB -0.646 41.358 42.059 -0.092 0.000 0.904 168 L HN 0.284 nan 8.230 nan 0.000 0.435 169 E N 0.489 120.685 120.200 -0.007 0.000 2.113 169 E HA -0.286 4.118 4.350 0.091 0.000 0.210 169 E C -0.420 176.222 176.600 0.070 0.000 1.040 169 E CA 2.416 58.830 56.400 0.024 0.000 0.847 169 E CB -0.883 28.813 29.700 -0.006 0.000 0.755 169 E HN 0.340 nan 8.360 nan 0.000 0.459 170 P HA -0.150 nan 4.420 nan 0.000 0.213 170 P C 1.351 178.737 177.300 0.144 0.000 1.170 170 P CA 1.282 64.458 63.100 0.128 0.000 0.898 170 P CB -0.354 31.453 31.700 0.178 0.000 0.787 171 F N 0.721 120.754 119.950 0.137 0.000 2.091 171 F HA -0.205 4.377 4.527 0.091 0.000 0.299 171 F C 2.403 178.239 175.800 0.060 0.000 1.103 171 F CA 1.554 59.629 58.000 0.125 0.000 1.228 171 F CB -0.460 38.669 39.000 0.216 0.000 0.984 171 F HN -0.311 nan 8.300 nan 0.000 0.477 172 R N 0.451 121.025 120.500 0.123 0.000 2.159 172 R HA -0.183 4.212 4.340 0.091 0.000 0.237 172 R C 2.252 178.485 176.300 -0.111 0.000 1.131 172 R CA 1.459 57.560 56.100 0.001 0.000 0.982 172 R CB -0.155 30.199 30.300 0.090 0.000 0.868 172 R HN 0.339 nan 8.270 nan 0.000 0.453 173 K N 0.012 120.363 120.400 -0.082 0.000 1.973 173 K HA -0.182 4.193 4.320 0.091 0.000 0.210 173 K C 1.991 178.512 176.600 -0.131 0.000 1.045 173 K CA 1.529 57.771 56.287 -0.075 0.000 0.937 173 K CB -0.105 32.377 32.500 -0.031 0.000 0.721 173 K HN 0.079 nan 8.250 nan 0.000 0.438 174 Q N 0.539 120.238 119.800 -0.169 0.000 2.515 174 Q HA -0.108 4.287 4.340 0.091 0.000 0.215 174 Q C -0.855 174.991 176.000 -0.258 0.000 0.983 174 Q CA 1.026 56.721 55.803 -0.181 0.000 0.905 174 Q CB 0.088 28.732 28.738 -0.158 0.000 0.961 174 Q HN 0.209 nan 8.270 nan 0.000 0.503 175 N N -0.769 117.714 118.700 -0.361 0.000 2.732 175 N HA 0.099 4.893 4.740 0.091 0.000 0.247 175 N C -2.420 172.960 175.510 -0.218 0.000 1.305 175 N CA -0.795 52.053 53.050 -0.338 0.000 0.762 175 N CB 1.829 39.964 38.487 -0.586 0.000 1.361 175 N HN -0.055 nan 8.380 nan 0.000 0.545 176 P HA 0.024 nan 4.420 nan 0.000 0.222 176 P C 0.066 177.356 177.300 -0.017 0.000 1.157 176 P CA 0.841 63.910 63.100 -0.052 0.000 0.816 176 P CB 0.533 32.212 31.700 -0.035 0.000 0.813 177 D N 0.082 120.472 120.400 -0.016 0.000 2.392 177 D HA 0.035 4.730 4.640 0.091 0.000 0.228 177 D C 0.846 177.170 176.300 0.040 0.000 1.003 177 D CA 0.649 54.657 54.000 0.013 0.000 0.917 177 D CB -0.384 40.423 40.800 0.012 0.000 0.890 177 D HN 0.300 nan 8.370 nan 0.000 0.532 178 I N 0.618 121.214 120.570 0.044 0.000 2.392 178 I HA 0.149 4.373 4.170 0.091 0.000 0.295 178 I C -0.222 175.961 176.117 0.110 0.000 0.985 178 I CA -0.924 60.438 61.300 0.102 0.000 1.221 178 I CB 2.013 40.102 38.000 0.149 0.000 1.366 178 I HN -0.347 nan 8.210 nan 0.000 0.467 179 V N 6.837 126.823 119.914 0.121 0.000 2.394 179 V HA 0.496 4.671 4.120 0.091 0.000 0.282 179 V C -0.103 176.075 176.094 0.140 0.000 1.031 179 V CA -0.514 61.852 62.300 0.110 0.000 0.881 179 V CB 1.372 33.242 31.823 0.078 0.000 0.982 179 V HN 0.459 nan 8.190 nan 0.000 0.451 180 I N 4.816 125.473 120.570 0.145 0.000 2.468 180 I HA 0.383 4.608 4.170 0.091 0.000 0.285 180 I C -1.341 174.884 176.117 0.179 0.000 1.039 180 I CA -0.505 60.883 61.300 0.147 0.000 1.074 180 I CB 1.885 39.954 38.000 0.115 0.000 1.228 180 I HN 0.693 nan 8.210 nan 0.000 0.436 181 Y N 6.800 127.136 120.300 0.060 0.000 2.331 181 Y HA 0.370 4.975 4.550 0.091 0.000 0.338 181 Y C -0.296 175.678 175.900 0.122 0.000 0.976 181 Y CA -0.658 57.473 58.100 0.051 0.000 1.137 181 Y CB 1.100 39.537 38.460 -0.039 0.000 1.172 181 Y HN 0.494 nan 8.280 nan 0.000 0.478 182 Q N 6.501 126.087 119.800 -0.356 0.000 2.314 182 Q HA 0.301 4.696 4.340 0.091 0.000 0.259 182 Q C -1.866 173.906 176.000 -0.381 0.000 0.951 182 Q CA -0.817 54.839 55.803 -0.244 0.000 0.909 182 Q CB 2.235 30.890 28.738 -0.139 0.000 1.236 182 Q HN 0.807 nan 8.270 nan 0.000 0.444 183 Y N 4.198 124.316 120.300 -0.303 0.000 2.361 183 Y HA 0.281 4.886 4.550 0.091 0.000 0.328 183 Y C 0.313 176.198 175.900 -0.026 0.000 1.044 183 Y CA -0.675 57.311 58.100 -0.190 0.000 1.085 183 Y CB 1.134 39.543 38.460 -0.084 0.000 1.194 183 Y HN 0.899 nan 8.280 nan 0.000 0.438 184 M N 1.741 121.011 119.600 -0.549 0.000 7.319 184 M HA -0.396 4.138 4.480 0.091 0.000 0.297 184 M C -0.317 175.802 176.300 -0.300 0.000 0.480 184 M CA 2.282 57.288 55.300 -0.490 0.000 1.311 184 M CB -1.023 31.242 32.600 -0.559 0.000 0.421 184 M HN 0.708 nan 8.290 nan 0.000 0.598 185 D N 1.248 121.529 120.400 -0.199 0.000 2.501 185 D HA 0.298 4.992 4.640 0.091 0.000 0.226 185 D C -0.640 175.624 176.300 -0.059 0.000 1.198 185 D CA 0.299 54.222 54.000 -0.128 0.000 0.830 185 D CB 0.191 40.932 40.800 -0.098 0.000 1.014 185 D HN 0.347 nan 8.370 nan 0.000 0.496 186 D N 0.305 120.677 120.400 -0.046 0.000 2.531 186 D HA 0.403 5.098 4.640 0.091 0.000 0.244 186 D C -0.691 175.531 176.300 -0.129 0.000 1.090 186 D CA -0.640 53.290 54.000 -0.116 0.000 0.989 186 D CB 2.613 43.316 40.800 -0.161 0.000 1.433 186 D HN -0.183 nan 8.370 nan 0.000 0.492 187 L N 1.498 122.554 121.223 -0.278 0.000 2.406 187 L HA 0.270 4.664 4.340 0.091 0.000 0.270 187 L C -1.420 175.262 176.870 -0.313 0.000 0.982 187 L CA -0.507 54.217 54.840 -0.192 0.000 0.843 187 L CB 0.969 42.933 42.059 -0.159 0.000 1.225 187 L HN 0.277 nan 8.230 nan 0.000 0.412 188 Y N 3.543 123.822 120.300 -0.035 0.000 2.454 188 Y HA 0.499 5.104 4.550 0.091 0.000 0.345 188 Y C 0.146 176.063 175.900 0.029 0.000 0.970 188 Y CA -0.614 57.469 58.100 -0.029 0.000 1.204 188 Y CB 1.116 39.536 38.460 -0.067 0.000 1.122 188 Y HN 0.191 nan 8.280 nan 0.000 0.514 189 V N 3.624 123.609 119.914 0.118 0.000 2.384 189 V HA 0.742 4.916 4.120 0.091 0.000 0.287 189 V C 0.400 176.632 176.094 0.229 0.000 1.020 189 V CA -0.718 61.670 62.300 0.146 0.000 0.850 189 V CB 1.304 33.173 31.823 0.077 0.000 0.987 189 V HN 0.883 nan 8.190 nan 0.000 0.436 190 G N 2.934 111.858 108.800 0.206 0.000 2.482 190 G HA2 0.775 4.789 3.960 0.091 0.000 0.317 190 G HA3 0.775 4.789 3.960 0.091 0.000 0.317 190 G C -0.547 174.477 174.900 0.207 0.000 1.241 190 G CA -0.160 45.054 45.100 0.191 0.000 0.967 190 G HN 0.927 nan 8.290 nan 0.000 0.482 191 S N -0.630 115.179 115.700 0.181 0.000 2.685 191 S HA 0.604 5.128 4.470 0.091 0.000 0.282 191 S C -1.046 173.590 174.600 0.061 0.000 1.159 191 S CA -0.694 57.608 58.200 0.170 0.000 0.833 191 S CB 2.453 65.862 63.200 0.348 0.000 1.151 191 S HN 0.262 nan 8.310 nan 0.000 0.485 192 D N 0.367 120.802 120.400 0.058 0.000 2.571 192 D HA 0.424 5.119 4.640 0.091 0.000 0.239 192 D C 0.339 176.657 176.300 0.030 0.000 1.267 192 D CA -0.106 53.906 54.000 0.020 0.000 0.823 192 D CB 0.053 40.860 40.800 0.012 0.000 1.056 192 D HN 0.469 nan 8.370 nan 0.000 0.494 193 L N -0.063 121.200 121.223 0.067 0.000 2.600 193 L HA 0.370 4.764 4.340 0.091 0.000 0.221 193 L C 0.770 177.674 176.870 0.056 0.000 1.197 193 L CA -0.621 54.263 54.840 0.074 0.000 0.838 193 L CB 0.294 42.425 42.059 0.120 0.000 1.474 193 L HN -0.196 nan 8.230 nan 0.000 0.514 194 E N -0.287 119.950 120.200 0.062 0.000 2.214 194 E HA 0.189 4.593 4.350 0.091 0.000 0.274 194 E C 0.727 177.374 176.600 0.078 0.000 0.977 194 E CA -0.393 56.035 56.400 0.047 0.000 0.827 194 E CB 1.306 31.027 29.700 0.036 0.000 1.130 194 E HN 0.460 nan 8.360 nan 0.000 0.394 195 I N 1.491 122.096 120.570 0.059 0.000 2.285 195 I HA -0.243 3.982 4.170 0.091 0.000 0.253 195 I C 1.506 177.686 176.117 0.106 0.000 1.104 195 I CA 2.220 63.573 61.300 0.089 0.000 1.372 195 I CB -0.428 37.604 38.000 0.052 0.000 1.057 195 I HN 0.547 nan 8.210 nan 0.000 0.431 196 G N 0.473 109.317 108.800 0.074 0.000 2.453 196 G HA2 -0.218 3.796 3.960 0.091 0.000 0.215 196 G HA3 -0.218 3.796 3.960 0.091 0.000 0.215 196 G C 1.531 176.474 174.900 0.072 0.000 1.201 196 G CA 0.785 45.923 45.100 0.063 0.000 0.784 196 G HN 0.491 nan 8.290 nan 0.000 0.545 197 Q N -0.120 119.727 119.800 0.079 0.000 2.084 197 Q HA -0.125 4.269 4.340 0.091 0.000 0.202 197 Q C 2.208 178.267 176.000 0.098 0.000 0.978 197 Q CA 1.683 57.533 55.803 0.078 0.000 0.844 197 Q CB -0.654 28.128 28.738 0.075 0.000 0.898 197 Q HN 0.714 nan 8.270 nan 0.000 0.426 198 H N 1.239 120.335 119.070 0.043 0.000 2.267 198 H HA -0.052 4.559 4.556 0.091 0.000 0.297 198 H C 2.176 177.536 175.328 0.052 0.000 1.080 198 H CA 2.080 58.159 56.048 0.051 0.000 1.278 198 H CB 0.128 29.917 29.762 0.044 0.000 1.365 198 H HN 0.063 nan 8.280 nan 0.000 0.489 199 R N -0.790 119.764 120.500 0.091 0.000 2.113 199 R HA -0.161 4.233 4.340 0.091 0.000 0.244 199 R C 2.333 178.625 176.300 -0.014 0.000 1.142 199 R CA 2.160 58.277 56.100 0.028 0.000 0.953 199 R CB -0.670 29.668 30.300 0.063 0.000 0.860 199 R HN 0.449 nan 8.270 nan 0.000 0.438 200 T N 1.427 115.988 114.554 0.012 0.000 2.684 200 T HA -0.120 4.284 4.350 0.091 0.000 0.267 200 T C 1.735 176.444 174.700 0.016 0.000 1.036 200 T CA 1.114 63.225 62.100 0.017 0.000 1.148 200 T CB -0.051 68.836 68.868 0.032 0.000 0.863 200 T HN 0.164 nan 8.240 nan 0.000 0.436 201 K N 1.027 121.433 120.400 0.009 0.000 2.032 201 K HA -0.017 4.358 4.320 0.091 0.000 0.209 201 K C 2.289 178.896 176.600 0.013 0.000 1.048 201 K CA 0.909 57.230 56.287 0.058 0.000 0.927 201 K CB -0.748 31.780 32.500 0.047 0.000 0.712 201 K HN 0.306 nan 8.250 nan 0.000 0.441 202 I N 2.026 122.529 120.570 -0.112 0.000 2.118 202 I HA -0.260 3.965 4.170 0.091 0.000 0.241 202 I C 2.190 178.251 176.117 -0.093 0.000 1.070 202 I CA 1.495 62.708 61.300 -0.146 0.000 1.327 202 I CB -1.042 36.858 38.000 -0.167 0.000 1.034 202 I HN 0.223 nan 8.210 nan 0.000 0.405 203 E N 0.870 121.043 120.200 -0.045 0.000 2.118 203 E HA -0.219 4.186 4.350 0.091 0.000 0.195 203 E C 2.048 178.644 176.600 -0.006 0.000 0.992 203 E CA 1.101 57.489 56.400 -0.020 0.000 0.804 203 E CB -0.230 29.471 29.700 0.001 0.000 0.741 203 E HN 0.602 nan 8.360 nan 0.000 0.458 204 E N 0.865 121.078 120.200 0.021 0.000 2.038 204 E HA -0.164 4.241 4.350 0.091 0.000 0.195 204 E C 2.394 179.004 176.600 0.017 0.000 1.000 204 E CA 0.648 57.090 56.400 0.069 0.000 0.803 204 E CB -0.275 29.522 29.700 0.162 0.000 0.750 204 E HN 0.175 nan 8.360 nan 0.000 0.448 205 L N 0.965 122.103 121.223 -0.142 0.000 1.990 205 L HA -0.257 4.137 4.340 0.091 0.000 0.213 205 L C 2.785 179.540 176.870 -0.191 0.000 1.072 205 L CA 1.429 56.029 54.840 -0.399 0.000 0.755 205 L CB -0.205 41.492 42.059 -0.604 0.000 0.889 205 L HN 0.134 nan 8.230 nan 0.000 0.432 206 R N -0.830 119.593 120.500 -0.128 0.000 2.112 206 R HA -0.277 4.117 4.340 0.091 0.000 0.242 206 R C 2.260 178.551 176.300 -0.015 0.000 1.137 206 R CA 2.095 58.152 56.100 -0.072 0.000 0.944 206 R CB -0.389 29.885 30.300 -0.044 0.000 0.857 206 R HN 0.383 nan 8.270 nan 0.000 0.435 207 Q N -0.506 119.304 119.800 0.017 0.000 2.014 207 Q HA -0.214 4.180 4.340 0.091 0.000 0.207 207 Q C 1.932 178.015 176.000 0.138 0.000 0.993 207 Q CA 2.082 57.923 55.803 0.064 0.000 0.850 207 Q CB -0.627 28.149 28.738 0.064 0.000 0.916 207 Q HN 0.566 nan 8.270 nan 0.000 0.417 208 H N -0.662 118.426 119.070 0.030 0.000 2.289 208 H HA -0.148 4.463 4.556 0.091 0.000 0.296 208 H C 1.971 177.396 175.328 0.162 0.000 1.091 208 H CA 1.475 57.587 56.048 0.107 0.000 1.274 208 H CB -0.135 29.669 29.762 0.070 0.000 1.364 208 H HN 0.209 nan 8.280 nan 0.000 0.490 209 L N 0.085 121.323 121.223 0.025 0.000 2.089 209 L HA -0.240 4.154 4.340 0.091 0.000 0.213 209 L C 2.741 179.672 176.870 0.102 0.000 1.079 209 L CA 0.797 55.602 54.840 -0.058 0.000 0.758 209 L CB -0.363 41.612 42.059 -0.140 0.000 0.891 209 L HN 0.325 nan 8.230 nan 0.000 0.433 210 L N -0.074 121.210 121.223 0.102 0.000 2.017 210 L HA -0.192 4.203 4.340 0.091 0.000 0.208 210 L C 2.644 179.589 176.870 0.125 0.000 1.073 210 L CA 1.683 56.579 54.840 0.093 0.000 0.745 210 L CB -0.488 41.608 42.059 0.063 0.000 0.894 210 L HN 0.120 nan 8.230 nan 0.000 0.432 211 R N -1.906 118.688 120.500 0.157 0.000 2.371 211 R HA -0.220 4.174 4.340 0.091 0.000 0.226 211 R C 1.132 177.384 176.300 -0.080 0.000 1.132 211 R CA 1.450 57.581 56.100 0.053 0.000 1.027 211 R CB -0.451 29.883 30.300 0.056 0.000 0.848 211 R HN 0.457 nan 8.270 nan 0.000 0.479 212 W N -0.899 120.425 121.300 0.041 0.000 3.008 212 W HA 0.292 5.007 4.660 0.091 0.000 0.355 212 W C 0.958 177.481 176.519 0.006 0.000 1.095 212 W CA 0.435 57.792 57.345 0.020 0.000 1.738 212 W CB 0.829 30.286 29.460 -0.005 0.000 1.091 212 W HN 0.171 nan 8.180 nan 0.000 0.574 213 G N 0.685 109.589 108.800 0.174 0.000 2.131 213 G HA2 -0.205 3.809 3.960 0.091 0.000 0.201 213 G HA3 -0.205 3.809 3.960 0.091 0.000 0.201 213 G C -0.237 174.729 174.900 0.110 0.000 1.000 213 G CA -0.504 44.666 45.100 0.117 0.000 0.680 213 G HN 0.043 nan 8.290 nan 0.000 0.514 214 L N 3.074 124.358 121.223 0.102 0.000 2.701 214 L HA 0.270 4.664 4.340 0.091 0.000 0.237 214 L C 1.387 178.281 176.870 0.041 0.000 1.204 214 L CA 0.620 55.495 54.840 0.057 0.000 1.109 214 L CB -0.541 41.519 42.059 0.003 0.000 1.409 214 L HN 0.489 nan 8.230 nan 0.000 0.428 215 T N -1.844 112.741 114.554 0.051 0.000 2.866 215 T HA 0.039 4.443 4.350 0.091 0.000 0.293 215 T C 0.588 175.302 174.700 0.024 0.000 1.005 215 T CA 0.039 62.162 62.100 0.038 0.000 1.162 215 T CB 0.306 69.200 68.868 0.043 0.000 0.968 215 T HN 0.317 nan 8.240 nan 0.000 0.530 216 T N 6.472 121.032 114.554 0.010 0.000 2.770 216 T HA 0.416 4.820 4.350 0.091 0.000 0.297 216 T C -2.118 172.584 174.700 0.004 0.000 0.997 216 T CA -1.083 61.015 62.100 -0.003 0.000 0.949 216 T CB 0.902 69.755 68.868 -0.025 0.000 0.941 216 T HN 0.618 nan 8.240 nan 0.000 0.457 217 P HA 0.023 nan 4.420 nan 0.000 0.261 217 P C -0.027 177.281 177.300 0.014 0.000 1.173 217 P CA -0.052 63.058 63.100 0.016 0.000 0.760 217 P CB 0.767 32.478 31.700 0.019 0.000 0.783 222 Q N 2.554 122.396 119.800 0.070 0.000 2.509 222 Q HA 0.314 4.708 4.340 0.091 0.000 0.236 222 Q C -0.399 175.658 176.000 0.095 0.000 1.073 222 Q CA -0.563 55.283 55.803 0.073 0.000 0.867 222 Q CB 1.006 29.773 28.738 0.049 0.000 1.181 222 Q HN 0.315 nan 8.270 nan 0.000 0.526 223 K N 2.132 122.615 120.400 0.138 0.000 2.504 223 K HA -0.031 4.344 4.320 0.091 0.000 0.278 223 K C -0.117 176.643 176.600 0.267 0.000 1.025 223 K CA 0.684 57.093 56.287 0.204 0.000 1.093 223 K CB 0.436 33.083 32.500 0.244 0.000 0.873 223 K HN 0.504 nan 8.250 nan 0.000 0.483 224 E N 3.107 123.423 120.200 0.193 0.000 2.299 224 E HA 0.332 4.736 4.350 0.091 0.000 0.260 224 E C -2.430 174.096 176.600 -0.124 0.000 0.944 224 E CA -2.303 54.147 56.400 0.083 0.000 0.815 224 E CB 1.228 30.934 29.700 0.010 0.000 1.252 224 E HN 0.309 nan 8.360 nan 0.000 0.418 225 P HA 0.143 nan 4.420 nan 0.000 0.272 225 P C -2.497 174.581 177.300 -0.369 0.000 1.230 225 P CA -0.904 61.738 63.100 -0.764 0.000 0.788 225 P CB -0.265 31.018 31.700 -0.695 0.000 0.949 226 P HA 0.184 nan 4.420 nan 0.000 0.275 226 P C -0.960 176.218 177.300 -0.204 0.000 1.227 226 P CA 0.052 62.856 63.100 -0.493 0.000 0.781 226 P CB 0.157 31.504 31.700 -0.588 0.000 0.906 227 F N 2.047 122.000 119.950 0.005 0.000 2.424 227 F HA 0.245 4.827 4.527 0.091 0.000 0.356 227 F C 0.649 176.531 175.800 0.136 0.000 1.110 227 F CA -0.576 57.471 58.000 0.078 0.000 1.161 227 F CB 0.038 39.038 39.000 -0.000 0.000 1.115 227 F HN 0.046 nan 8.300 nan 0.000 0.507 228 L N 3.721 125.163 121.223 0.365 0.000 2.315 228 L HA 0.176 4.570 4.340 0.091 0.000 0.283 228 L C -0.934 176.178 176.870 0.402 0.000 1.089 228 L CA -0.166 54.864 54.840 0.316 0.000 0.833 228 L CB 0.439 42.641 42.059 0.238 0.000 1.170 228 L HN 0.704 nan 8.230 nan 0.000 0.442 229 W N 6.618 128.006 121.300 0.146 0.000 3.036 229 W HA 0.420 5.134 4.660 0.090 0.000 0.337 229 W C -0.490 176.102 176.519 0.121 0.000 1.055 229 W CA -1.063 56.322 57.345 0.066 0.000 1.248 229 W CB 1.020 30.442 29.460 -0.064 0.000 1.335 229 W HN 0.409 nan 8.180 nan 0.000 0.446 230 M N 6.499 125.826 119.600 -0.455 0.000 3.051 230 M HA -0.225 4.310 4.480 0.091 0.000 0.169 230 M C 1.337 177.473 176.300 -0.273 0.000 1.287 230 M CA 1.872 56.881 55.300 -0.484 0.000 0.779 230 M CB -1.657 30.377 32.600 -0.944 0.000 1.235 230 M HN 1.251 nan 8.290 nan 0.000 0.707 231 G N -0.234 108.492 108.800 -0.123 0.000 2.186 231 G HA2 -0.303 3.711 3.960 0.091 0.000 0.266 231 G HA3 -0.303 3.711 3.960 0.091 0.000 0.266 231 G C -0.287 174.517 174.900 -0.159 0.000 0.982 231 G CA 0.896 45.921 45.100 -0.125 0.000 0.670 231 G HN 0.723 nan 8.290 nan 0.000 0.533 232 Y N -0.373 119.973 120.300 0.077 0.000 2.549 232 Y HA 0.638 5.243 4.550 0.090 0.000 0.339 232 Y C 0.537 176.601 175.900 0.274 0.000 1.053 232 Y CA -0.966 57.260 58.100 0.210 0.000 1.105 232 Y CB 1.575 40.200 38.460 0.275 0.000 1.258 232 Y HN 0.063 nan 8.280 nan 0.000 0.478 233 E N 2.135 122.649 120.200 0.523 0.000 2.182 233 E HA 0.316 4.720 4.350 0.091 0.000 0.258 233 E C -1.665 175.194 176.600 0.431 0.000 0.879 233 E CA -0.759 55.872 56.400 0.384 0.000 0.754 233 E CB 1.248 31.156 29.700 0.346 0.000 1.162 233 E HN 0.258 nan 8.360 nan 0.000 0.419 234 L N 4.567 125.979 121.223 0.315 0.000 2.257 234 L HA 0.282 4.677 4.340 0.091 0.000 0.290 234 L C 0.165 177.098 176.870 0.104 0.000 1.044 234 L CA -0.191 54.853 54.840 0.339 0.000 0.810 234 L CB 0.127 42.384 42.059 0.331 0.000 1.193 234 L HN 0.501 nan 8.230 nan 0.000 0.425 235 H N 3.739 122.938 119.070 0.215 0.000 2.630 235 H HA 0.331 4.942 4.556 0.091 0.000 0.343 235 H C -1.655 173.797 175.328 0.207 0.000 1.232 235 H CA -1.713 54.398 56.048 0.105 0.000 1.294 235 H CB 1.191 30.997 29.762 0.073 0.000 1.746 235 H HN 0.287 nan 8.280 nan 0.000 0.593 236 P HA -0.136 nan 4.420 nan 0.000 0.214 236 P C 0.568 178.056 177.300 0.312 0.000 1.163 236 P CA 1.397 64.603 63.100 0.177 0.000 0.883 236 P CB 0.309 32.061 31.700 0.087 0.000 0.788 237 D N -1.194 119.381 120.400 0.291 0.000 2.349 237 D HA 0.074 4.769 4.640 0.091 0.000 0.214 237 D C 0.464 176.917 176.300 0.255 0.000 1.063 237 D CA 0.699 54.869 54.000 0.283 0.000 0.847 237 D CB 0.265 41.141 40.800 0.127 0.000 0.933 237 D HN 0.362 nan 8.370 nan 0.000 0.513 238 K N -0.560 119.980 120.400 0.233 0.000 2.672 238 K HA 0.401 4.776 4.320 0.091 0.000 0.295 238 K C -1.448 175.084 176.600 -0.113 0.000 1.042 238 K CA -1.141 55.022 56.287 -0.207 0.000 0.869 238 K CB 0.881 33.253 32.500 -0.213 0.000 1.541 238 K HN -0.042 nan 8.250 nan 0.000 0.396 239 W N 0.396 121.542 121.300 -0.257 0.000 2.761 239 W HA 0.767 5.481 4.660 0.090 0.000 0.340 239 W C -1.270 175.327 176.519 0.128 0.000 1.072 239 W CA -0.804 56.539 57.345 -0.004 0.000 1.215 239 W CB 1.344 30.737 29.460 -0.113 0.000 1.420 239 W HN 0.842 nan 8.180 nan 0.000 0.519 240 T N -0.973 113.849 114.554 0.447 0.000 2.906 240 T HA 0.601 5.005 4.350 0.091 0.000 0.295 240 T C -0.958 174.055 174.700 0.522 0.000 1.075 240 T CA -0.705 61.574 62.100 0.299 0.000 1.005 240 T CB 1.937 70.902 68.868 0.162 0.000 1.136 240 T HN 0.368 nan 8.240 nan 0.000 0.498 241 V N 2.106 122.234 119.914 0.357 0.000 2.567 241 V HA 0.301 4.475 4.120 0.091 0.000 0.289 241 V C 0.563 176.762 176.094 0.175 0.000 1.049 241 V CA -0.824 61.620 62.300 0.239 0.000 0.969 241 V CB 1.287 33.196 31.823 0.143 0.000 0.995 241 V HN 0.898 nan 8.190 nan 0.000 0.471 242 Q N 4.142 124.015 119.800 0.123 0.000 2.364 242 Q HA 0.184 4.578 4.340 0.091 0.000 0.267 242 Q C -2.301 173.763 176.000 0.106 0.000 0.999 242 Q CA -1.428 54.446 55.803 0.119 0.000 0.886 242 Q CB 0.040 28.836 28.738 0.095 0.000 1.243 242 Q HN 0.492 nan 8.270 nan 0.000 0.415 243 P HA -0.072 nan 4.420 nan 0.000 0.262 243 P C -0.902 176.441 177.300 0.072 0.000 1.182 243 P CA 0.522 63.672 63.100 0.082 0.000 0.761 243 P CB 0.350 32.089 31.700 0.064 0.000 0.795 244 I N 4.667 125.269 120.570 0.053 0.000 2.297 244 I HA 0.209 4.433 4.170 0.091 0.000 0.291 244 I C 0.298 176.421 176.117 0.010 0.000 1.033 244 I CA -0.332 60.995 61.300 0.045 0.000 1.253 244 I CB 0.749 38.741 38.000 -0.012 0.000 1.396 244 I HN 0.064 nan 8.210 nan 0.000 0.476 245 V N 7.645 127.582 119.914 0.039 0.000 2.667 245 V HA 0.505 4.679 4.120 0.091 0.000 0.308 245 V C 0.180 176.303 176.094 0.048 0.000 1.048 245 V CA -0.677 61.641 62.300 0.030 0.000 0.928 245 V CB 2.847 34.688 31.823 0.030 0.000 1.004 245 V HN 0.464 nan 8.190 nan 0.000 0.444 246 L N 6.016 127.270 121.223 0.052 0.000 2.334 246 L HA 0.560 4.955 4.340 0.091 0.000 0.275 246 L C -2.011 174.923 176.870 0.108 0.000 1.036 246 L CA -1.759 53.136 54.840 0.092 0.000 0.807 246 L CB 1.678 43.794 42.059 0.095 0.000 1.231 246 L HN 0.480 nan 8.230 nan 0.000 0.438 247 P HA 0.028 nan 4.420 nan 0.000 0.268 247 P C -1.063 176.280 177.300 0.071 0.000 1.208 247 P CA -0.184 62.956 63.100 0.066 0.000 0.777 247 P CB 0.791 32.503 31.700 0.020 0.000 0.875 248 E N 2.583 122.766 120.200 -0.028 0.000 2.073 248 E HA 0.306 4.710 4.350 0.091 0.000 0.269 248 E C -0.274 176.221 176.600 -0.174 0.000 0.917 248 E CA -0.281 56.103 56.400 -0.028 0.000 0.757 248 E CB 1.315 31.006 29.700 -0.015 0.000 1.111 248 E HN 0.393 nan 8.360 nan 0.000 0.410 249 K N 1.709 121.945 120.400 -0.274 0.000 2.469 249 K HA 0.186 4.560 4.320 0.091 0.000 0.254 249 K C 0.348 176.755 176.600 -0.322 0.000 0.939 249 K CA -0.593 55.374 56.287 -0.534 0.000 0.812 249 K CB 1.765 33.475 32.500 -1.317 0.000 1.301 249 K HN 0.290 nan 8.250 nan 0.000 0.433 250 D N -0.283 119.973 120.400 -0.240 0.000 2.323 250 D HA -0.011 4.683 4.640 0.091 0.000 0.218 250 D C -0.031 176.228 176.300 -0.068 0.000 0.973 250 D CA 0.304 54.258 54.000 -0.077 0.000 0.890 250 D CB 0.383 41.152 40.800 -0.052 0.000 1.011 250 D HN 0.102 nan 8.370 nan 0.000 0.499 251 S N 0.137 115.722 115.700 -0.191 0.000 2.530 251 S HA 0.352 4.877 4.470 0.091 0.000 0.322 251 S C -1.424 173.051 174.600 -0.207 0.000 1.085 251 S CA -0.752 57.387 58.200 -0.102 0.000 1.096 251 S CB 0.797 63.957 63.200 -0.066 0.000 0.988 251 S HN 0.171 nan 8.310 nan 0.000 0.466 252 W N 2.893 124.191 121.300 -0.004 0.000 2.329 252 W HA 0.386 5.101 4.660 0.092 0.000 0.312 252 W C 1.087 177.604 176.519 -0.003 0.000 1.054 252 W CA -0.634 56.709 57.345 -0.004 0.000 1.245 252 W CB 0.887 30.345 29.460 -0.004 0.000 1.255 252 W HN 0.620 nan 8.180 nan 0.000 0.436 253 T N -1.679 112.998 114.554 0.205 0.000 2.833 253 T HA 0.211 4.616 4.350 0.091 0.000 0.292 253 T C 0.867 175.655 174.700 0.146 0.000 1.031 253 T CA -0.621 61.557 62.100 0.130 0.000 0.937 253 T CB 0.832 69.741 68.868 0.069 0.000 1.256 253 T HN 0.168 nan 8.240 nan 0.000 0.551 254 V N 1.274 121.242 119.914 0.090 0.000 2.591 254 V HA -0.070 4.105 4.120 0.091 0.000 0.249 254 V C 2.868 179.005 176.094 0.072 0.000 1.053 254 V CA 1.486 63.829 62.300 0.070 0.000 1.068 254 V CB -1.087 30.762 31.823 0.043 0.000 0.689 254 V HN 0.900 nan 8.190 nan 0.000 0.462 255 N N 0.460 119.201 118.700 0.069 0.000 2.106 255 N HA -0.192 4.602 4.740 0.091 0.000 0.188 255 N C 1.493 177.059 175.510 0.093 0.000 1.029 255 N CA 1.784 54.870 53.050 0.060 0.000 0.848 255 N CB -0.024 38.487 38.487 0.040 0.000 1.007 255 N HN 0.420 nan 8.380 nan 0.000 0.423 256 D N 1.275 121.759 120.400 0.141 0.000 2.092 256 D HA -0.143 4.552 4.640 0.091 0.000 0.193 256 D C 2.120 178.600 176.300 0.300 0.000 0.994 256 D CA 0.921 55.067 54.000 0.243 0.000 0.828 256 D CB -0.456 40.553 40.800 0.347 0.000 0.963 256 D HN 0.411 nan 8.370 nan 0.000 0.450 257 I N 0.871 121.591 120.570 0.250 0.000 2.264 257 I HA -0.289 3.935 4.170 0.091 0.000 0.248 257 I C 2.507 178.649 176.117 0.042 0.000 1.111 257 I CA 1.121 62.469 61.300 0.080 0.000 1.382 257 I CB -0.316 37.692 38.000 0.013 0.000 1.060 257 I HN 0.025 nan 8.210 nan 0.000 0.418 258 Q N 0.853 120.686 119.800 0.056 0.000 2.079 258 Q HA -0.184 4.211 4.340 0.091 0.000 0.200 258 Q C 2.228 178.252 176.000 0.039 0.000 0.974 258 Q CA 1.279 57.103 55.803 0.035 0.000 0.840 258 Q CB -0.077 28.680 28.738 0.031 0.000 0.898 258 Q HN 0.511 nan 8.270 nan 0.000 0.430 259 K N 0.463 120.898 120.400 0.058 0.000 2.148 259 K HA -0.140 4.235 4.320 0.091 0.000 0.204 259 K C 2.114 178.754 176.600 0.066 0.000 1.050 259 K CA 0.752 57.070 56.287 0.051 0.000 0.942 259 K CB -0.174 32.359 32.500 0.054 0.000 0.724 259 K HN 0.093 nan 8.250 nan 0.000 0.446 260 L N 1.214 122.493 121.223 0.092 0.000 2.017 260 L HA -0.155 4.240 4.340 0.091 0.000 0.208 260 L C 2.079 178.969 176.870 0.034 0.000 1.073 260 L CA 1.436 56.324 54.840 0.080 0.000 0.745 260 L CB -0.303 41.781 42.059 0.043 0.000 0.894 260 L HN -0.138 nan 8.230 nan 0.000 0.432 261 V N 0.316 120.236 119.914 0.010 0.000 2.407 261 V HA -0.206 3.969 4.120 0.091 0.000 0.248 261 V C 2.617 178.736 176.094 0.042 0.000 1.055 261 V CA 1.673 63.977 62.300 0.006 0.000 1.049 261 V CB -1.694 30.126 31.823 -0.005 0.000 0.662 261 V HN 0.659 nan 8.190 nan 0.000 0.455 262 G N -0.074 108.753 108.800 0.046 0.000 2.545 262 G HA2 -0.380 3.634 3.960 0.091 0.000 0.217 262 G HA3 -0.380 3.634 3.960 0.091 0.000 0.217 262 G C 1.607 176.574 174.900 0.111 0.000 1.218 262 G CA 1.344 46.478 45.100 0.057 0.000 0.787 262 G HN 0.491 nan 8.290 nan 0.000 0.571 263 K N -0.504 119.964 120.400 0.113 0.000 2.044 263 K HA -0.114 4.260 4.320 0.091 0.000 0.210 263 K C 2.534 179.302 176.600 0.281 0.000 1.049 263 K CA 1.234 57.652 56.287 0.218 0.000 0.927 263 K CB -0.281 32.317 32.500 0.163 0.000 0.713 263 K HN 0.181 nan 8.250 nan 0.000 0.443 264 L N 1.756 123.064 121.223 0.143 0.000 2.012 264 L HA -0.205 4.190 4.340 0.091 0.000 0.210 264 L C 1.839 178.766 176.870 0.095 0.000 1.073 264 L CA 1.846 56.735 54.840 0.082 0.000 0.748 264 L CB -1.317 40.756 42.059 0.023 0.000 0.891 264 L HN 0.333 nan 8.230 nan 0.000 0.431 265 N N -1.934 116.835 118.700 0.115 0.000 2.043 265 N HA -0.290 4.504 4.740 0.091 0.000 0.193 265 N C 1.688 177.294 175.510 0.160 0.000 1.037 265 N CA 1.506 54.622 53.050 0.110 0.000 0.851 265 N CB -0.391 38.159 38.487 0.105 0.000 1.027 265 N HN 0.402 nan 8.380 nan 0.000 0.422 266 W N 1.974 123.287 121.300 0.021 0.000 2.302 266 W HA -0.198 4.517 4.660 0.092 0.000 0.320 266 W C 2.255 178.808 176.519 0.056 0.000 1.241 266 W CA 2.010 59.373 57.345 0.029 0.000 1.264 266 W CB -0.668 28.800 29.460 0.014 0.000 1.154 266 W HN 0.038 nan 8.180 nan 0.000 0.483 267 A N -0.639 122.104 122.820 -0.129 0.000 2.168 267 A HA -0.075 4.300 4.320 0.091 0.000 0.215 267 A C 1.991 179.547 177.584 -0.047 0.000 1.152 267 A CA 1.607 53.458 52.037 -0.311 0.000 0.716 267 A CB -1.121 17.780 19.000 -0.166 0.000 0.794 267 A HN 0.294 nan 8.150 nan 0.000 0.465 268 S N -0.704 114.988 115.700 -0.013 0.000 2.515 268 S HA -0.122 4.402 4.470 0.091 0.000 0.231 268 S C 1.841 176.444 174.600 0.005 0.000 0.987 268 S CA 1.047 59.265 58.200 0.031 0.000 0.936 268 S CB -0.370 62.845 63.200 0.026 0.000 0.766 268 S HN 0.709 nan 8.310 nan 0.000 0.528 269 Q N 0.408 120.177 119.800 -0.052 0.000 2.167 269 Q HA -0.009 4.385 4.340 0.091 0.000 0.202 269 Q C 1.923 177.864 176.000 -0.099 0.000 0.970 269 Q CA 1.682 57.451 55.803 -0.056 0.000 0.855 269 Q CB -0.176 28.520 28.738 -0.069 0.000 0.911 269 Q HN 0.871 nan 8.270 nan 0.000 0.438 270 I N -5.427 115.057 120.570 -0.143 0.000 4.181 270 I HA 0.120 4.344 4.170 0.091 0.000 0.331 270 I C -0.215 175.682 176.117 -0.365 0.000 1.312 270 I CA -0.161 60.985 61.300 -0.256 0.000 1.146 270 I CB 0.545 38.355 38.000 -0.317 0.000 1.074 270 I HN -0.100 nan 8.210 nan 0.000 0.402 271 Y N 4.050 124.284 120.300 -0.110 0.000 2.726 271 Y HA 0.437 5.041 4.550 0.090 0.000 0.367 271 Y C -1.553 174.304 175.900 -0.071 0.000 1.038 271 Y CA -2.368 55.682 58.100 -0.083 0.000 1.174 271 Y CB 0.154 38.563 38.460 -0.084 0.000 1.265 271 Y HN -0.003 nan 8.280 nan 0.000 0.622 272 P HA -0.226 nan 4.420 nan 0.000 0.219 272 P C 1.503 178.815 177.300 0.021 0.000 1.144 272 P CA 1.766 64.871 63.100 0.008 0.000 0.806 272 P CB 0.334 32.018 31.700 -0.026 0.000 0.771 273 G N 0.020 108.845 108.800 0.042 0.000 2.448 273 G HA2 -0.074 3.941 3.960 0.091 0.000 0.218 273 G HA3 -0.074 3.941 3.960 0.091 0.000 0.218 273 G C 0.914 175.822 174.900 0.013 0.000 1.135 273 G CA -0.191 44.924 45.100 0.026 0.000 0.784 273 G HN 0.258 nan 8.290 nan 0.000 0.543 274 I N 0.970 121.554 120.570 0.023 0.000 2.845 274 I HA 0.041 4.266 4.170 0.091 0.000 0.296 274 I C 0.214 176.325 176.117 -0.010 0.000 1.216 274 I CA 0.849 62.146 61.300 -0.005 0.000 1.438 274 I CB 0.534 38.530 38.000 -0.006 0.000 1.342 274 I HN 0.042 nan 8.210 nan 0.000 0.577 275 K N 4.644 125.030 120.400 -0.023 0.000 2.385 275 K HA 0.548 4.922 4.320 0.091 0.000 0.248 275 K C -0.276 176.304 176.600 -0.033 0.000 0.955 275 K CA -0.696 55.576 56.287 -0.025 0.000 0.816 275 K CB 2.766 35.249 32.500 -0.029 0.000 1.250 275 K HN 0.301 nan 8.250 nan 0.000 0.434 276 V N 1.022 120.918 119.914 -0.030 0.000 3.382 276 V HA 0.074 4.248 4.120 0.091 0.000 0.296 276 V C 1.709 177.780 176.094 -0.039 0.000 1.529 276 V CA -0.091 62.187 62.300 -0.037 0.000 1.048 276 V CB 0.362 32.172 31.823 -0.021 0.000 0.878 276 V HN 0.698 nan 8.190 nan 0.000 0.442 277 R N 0.757 121.238 120.500 -0.033 0.000 2.097 277 R HA -0.207 4.188 4.340 0.091 0.000 0.236 277 R C 2.348 178.625 176.300 -0.039 0.000 1.135 277 R CA 2.109 58.191 56.100 -0.030 0.000 0.934 277 R CB -0.044 30.241 30.300 -0.026 0.000 0.846 277 R HN 0.395 nan 8.270 nan 0.000 0.431 278 Q N 0.225 119.997 119.800 -0.046 0.000 2.170 278 Q HA -0.068 4.326 4.340 0.091 0.000 0.203 278 Q C 0.986 176.942 176.000 -0.073 0.000 0.976 278 Q CA 0.944 56.714 55.803 -0.054 0.000 0.858 278 Q CB -0.183 28.521 28.738 -0.057 0.000 0.907 278 Q HN 0.327 nan 8.270 nan 0.000 0.433 282 L N 1.736 122.935 121.223 -0.040 0.000 2.265 282 L HA -0.071 4.324 4.340 0.091 0.000 0.215 282 L C 1.704 178.562 176.870 -0.021 0.000 1.117 282 L CA 1.445 56.262 54.840 -0.038 0.000 0.782 282 L CB -0.365 41.655 42.059 -0.065 0.000 0.914 282 L HN 0.194 nan 8.230 nan 0.000 0.441 283 L N -0.838 120.374 121.223 -0.019 0.000 2.552 283 L HA 0.001 4.395 4.340 0.091 0.000 0.227 283 L C 1.119 177.987 176.870 -0.003 0.000 1.146 283 L CA 0.607 55.442 54.840 -0.007 0.000 0.858 283 L CB -0.868 41.187 42.059 -0.006 0.000 0.969 283 L HN 0.183 nan 8.230 nan 0.000 0.451 284 R N -0.130 120.367 120.500 -0.005 0.000 2.484 284 R HA 0.229 4.624 4.340 0.091 0.000 0.293 284 R C 1.249 177.549 176.300 0.000 0.000 1.023 284 R CA 0.685 56.783 56.100 -0.003 0.000 1.037 284 R CB -0.168 30.129 30.300 -0.005 0.000 0.951 284 R HN 0.330 nan 8.270 nan 0.000 0.418 285 G N 2.382 111.183 108.800 0.002 0.000 2.203 285 G HA2 -0.335 3.679 3.960 0.091 0.000 0.263 285 G HA3 -0.335 3.679 3.960 0.091 0.000 0.263 285 G C 0.259 175.163 174.900 0.006 0.000 1.012 285 G CA 0.744 45.846 45.100 0.004 0.000 0.749 285 G HN 0.728 nan 8.290 nan 0.000 0.512 286 T N -1.175 113.383 114.554 0.007 0.000 2.784 286 T HA 0.448 4.852 4.350 0.091 0.000 0.291 286 T C 1.507 176.213 174.700 0.011 0.000 0.942 286 T CA 0.401 62.507 62.100 0.011 0.000 1.161 286 T CB 1.519 70.395 68.868 0.013 0.000 0.885 286 T HN 0.719 nan 8.240 nan 0.000 0.534 287 K N 2.260 122.667 120.400 0.011 0.000 2.228 287 K HA 0.306 4.680 4.320 0.091 0.000 0.202 287 K C 0.633 177.240 176.600 0.012 0.000 1.051 287 K CA 0.351 56.644 56.287 0.010 0.000 0.960 287 K CB 0.239 32.745 32.500 0.010 0.000 0.743 287 K HN 0.711 nan 8.250 nan 0.000 0.458 288 A N 0.426 123.255 122.820 0.014 0.000 2.574 288 A HA 0.399 4.773 4.320 0.091 0.000 0.297 288 A C -0.059 177.537 177.584 0.019 0.000 1.062 288 A CA -0.761 51.285 52.037 0.015 0.000 0.686 288 A CB 1.246 20.255 19.000 0.013 0.000 1.285 288 A HN 0.074 nan 8.150 nan 0.000 0.403 289 L N 1.271 122.504 121.223 0.018 0.000 2.191 289 L HA -0.077 4.318 4.340 0.091 0.000 0.212 289 L C 2.502 179.388 176.870 0.026 0.000 1.103 289 L CA 3.018 57.871 54.840 0.022 0.000 0.769 289 L CB -0.275 41.794 42.059 0.017 0.000 0.908 289 L HN 0.963 nan 8.230 nan 0.000 0.438 290 T N -4.688 109.879 114.554 0.021 0.000 3.044 290 T HA 0.034 4.439 4.350 0.091 0.000 0.250 290 T C 0.862 175.577 174.700 0.025 0.000 1.081 290 T CA -0.405 61.707 62.100 0.020 0.000 1.040 290 T CB -0.297 68.578 68.868 0.012 0.000 0.962 290 T HN 0.307 nan 8.240 nan 0.000 0.506 291 E N 1.672 121.888 120.200 0.027 0.000 2.529 291 E HA 0.144 4.549 4.350 0.091 0.000 0.259 291 E C -0.833 175.793 176.600 0.043 0.000 0.966 291 E CA -0.175 56.243 56.400 0.029 0.000 0.937 291 E CB 0.525 30.241 29.700 0.026 0.000 0.923 291 E HN 0.174 nan 8.360 nan 0.000 0.468 292 V N 6.440 126.380 119.914 0.044 0.000 2.539 292 V HA 0.349 4.523 4.120 0.091 0.000 0.292 292 V C 0.274 176.409 176.094 0.070 0.000 1.045 292 V CA -0.484 61.854 62.300 0.065 0.000 0.945 292 V CB 1.285 33.139 31.823 0.051 0.000 0.993 292 V HN 0.522 nan 8.190 nan 0.000 0.464 293 I N 5.781 126.411 120.570 0.100 0.000 2.436 293 I HA 0.421 4.646 4.170 0.091 0.000 0.289 293 I C -2.343 173.827 176.117 0.089 0.000 1.010 293 I CA -2.026 59.320 61.300 0.077 0.000 1.098 293 I CB 2.333 40.366 38.000 0.055 0.000 1.266 293 I HN 0.443 nan 8.210 nan 0.000 0.434 294 P HA 0.185 nan 4.420 nan 0.000 0.271 294 P C -0.737 176.581 177.300 0.030 0.000 1.216 294 P CA -0.155 62.979 63.100 0.057 0.000 0.771 294 P CB 1.000 32.721 31.700 0.035 0.000 0.864 295 L N 2.434 123.673 121.223 0.027 0.000 2.380 295 L HA 0.171 4.565 4.340 0.091 0.000 0.273 295 L C 1.402 178.253 176.870 -0.030 0.000 1.138 295 L CA -0.065 54.751 54.840 -0.041 0.000 0.832 295 L CB 0.350 42.360 42.059 -0.082 0.000 1.124 295 L HN 0.396 nan 8.230 nan 0.000 0.454 296 T N 1.264 115.789 114.554 -0.048 0.000 2.802 296 T HA -0.011 4.394 4.350 0.091 0.000 0.305 296 T C 1.176 175.855 174.700 -0.035 0.000 1.053 296 T CA -0.211 61.868 62.100 -0.035 0.000 1.058 296 T CB 0.941 69.785 68.868 -0.041 0.000 0.988 296 T HN 0.796 nan 8.240 nan 0.000 0.539 297 E N 1.059 121.244 120.200 -0.024 0.000 2.152 297 E HA -0.109 4.296 4.350 0.091 0.000 0.192 297 E C 1.441 178.024 176.600 -0.029 0.000 0.983 297 E CA 1.240 57.627 56.400 -0.021 0.000 0.818 297 E CB -0.067 29.625 29.700 -0.014 0.000 0.758 297 E HN 0.652 nan 8.360 nan 0.000 0.467 298 E N 0.666 120.847 120.200 -0.032 0.000 2.285 298 E HA 0.042 4.446 4.350 0.091 0.000 0.194 298 E C 1.810 178.380 176.600 -0.050 0.000 0.997 298 E CA 1.061 57.439 56.400 -0.036 0.000 0.845 298 E CB 0.026 29.707 29.700 -0.032 0.000 0.782 298 E HN 0.474 nan 8.360 nan 0.000 0.491 299 A N 0.531 123.313 122.820 -0.062 0.000 1.975 299 A HA -0.058 4.317 4.320 0.091 0.000 0.215 299 A C 2.035 179.556 177.584 -0.105 0.000 1.170 299 A CA 0.944 52.925 52.037 -0.093 0.000 0.656 299 A CB -0.115 18.817 19.000 -0.112 0.000 0.821 299 A HN 0.092 nan 8.150 nan 0.000 0.449 300 E N -0.147 120.007 120.200 -0.078 0.000 2.106 300 E HA -0.136 4.268 4.350 0.091 0.000 0.192 300 E C 1.815 178.386 176.600 -0.049 0.000 0.984 300 E CA 1.106 57.468 56.400 -0.062 0.000 0.806 300 E CB -0.307 29.376 29.700 -0.029 0.000 0.750 300 E HN 0.449 nan 8.360 nan 0.000 0.458 301 L N 1.258 122.456 121.223 -0.042 0.000 1.976 301 L HA -0.152 4.242 4.340 0.091 0.000 0.209 301 L C 2.202 179.047 176.870 -0.042 0.000 1.071 301 L CA 2.480 57.300 54.840 -0.034 0.000 0.746 301 L CB -1.019 41.022 42.059 -0.030 0.000 0.890 301 L HN 0.263 nan 8.230 nan 0.000 0.432 302 E N -0.512 119.656 120.200 -0.053 0.000 2.097 302 E HA -0.284 4.120 4.350 0.091 0.000 0.196 302 E C 2.332 178.890 176.600 -0.069 0.000 1.000 302 E CA 1.861 58.226 56.400 -0.059 0.000 0.804 302 E CB -0.375 29.284 29.700 -0.067 0.000 0.740 302 E HN 0.623 nan 8.360 nan 0.000 0.454 303 L N -0.020 121.150 121.223 -0.089 0.000 2.131 303 L HA -0.138 4.256 4.340 0.091 0.000 0.210 303 L C 2.339 179.178 176.870 -0.052 0.000 1.092 303 L CA 1.249 56.032 54.840 -0.095 0.000 0.759 303 L CB -0.314 41.660 42.059 -0.141 0.000 0.903 303 L HN 0.262 nan 8.230 nan 0.000 0.435 304 A N -0.710 122.087 122.820 -0.038 0.000 1.930 304 A HA -0.217 4.157 4.320 0.091 0.000 0.215 304 A C 2.050 179.618 177.584 -0.027 0.000 1.176 304 A CA 1.244 53.269 52.037 -0.021 0.000 0.632 304 A CB -0.362 18.630 19.000 -0.013 0.000 0.819 304 A HN 0.459 nan 8.150 nan 0.000 0.445 305 E N -0.121 120.059 120.200 -0.032 0.000 2.268 305 E HA -0.146 4.258 4.350 0.091 0.000 0.195 305 E C 1.393 177.968 176.600 -0.042 0.000 0.995 305 E CA 1.011 57.392 56.400 -0.031 0.000 0.836 305 E CB 0.015 29.697 29.700 -0.029 0.000 0.763 305 E HN 0.567 nan 8.360 nan 0.000 0.491 306 N N -0.108 118.560 118.700 -0.054 0.000 2.336 306 N HA -0.006 4.788 4.740 0.091 0.000 0.177 306 N C 1.398 176.854 175.510 -0.090 0.000 1.018 306 N CA 0.586 53.590 53.050 -0.077 0.000 0.878 306 N CB -0.019 38.422 38.487 -0.077 0.000 0.997 306 N HN 0.059 nan 8.380 nan 0.000 0.433 307 R N 0.626 121.091 120.500 -0.059 0.000 2.091 307 R HA -0.110 4.285 4.340 0.091 0.000 0.238 307 R C 1.792 178.059 176.300 -0.055 0.000 1.136 307 R CA 1.180 57.251 56.100 -0.048 0.000 0.959 307 R CB -0.119 30.172 30.300 -0.014 0.000 0.856 307 R HN 0.167 nan 8.270 nan 0.000 0.437 308 E N 0.962 121.137 120.200 -0.042 0.000 2.015 308 E HA -0.121 4.284 4.350 0.091 0.000 0.191 308 E C 1.849 178.426 176.600 -0.038 0.000 0.991 308 E CA 0.977 57.359 56.400 -0.031 0.000 0.802 308 E CB -0.175 29.514 29.700 -0.019 0.000 0.759 308 E HN 0.073 nan 8.360 nan 0.000 0.447 309 I N 0.676 121.217 120.570 -0.048 0.000 2.236 309 I HA -0.286 3.939 4.170 0.091 0.000 0.249 309 I C 2.041 178.101 176.117 -0.096 0.000 1.102 309 I CA 1.342 62.621 61.300 -0.035 0.000 1.365 309 I CB -0.765 37.209 38.000 -0.043 0.000 1.051 309 I HN 0.238 nan 8.210 nan 0.000 0.420 310 L N -0.156 120.928 121.223 -0.231 0.000 2.610 310 L HA -0.087 4.307 4.340 0.091 0.000 0.232 310 L C 2.134 178.929 176.870 -0.125 0.000 1.149 310 L CA 0.234 54.854 54.840 -0.367 0.000 0.872 310 L CB -0.307 41.532 42.059 -0.367 0.000 0.992 310 L HN 0.104 nan 8.230 nan 0.000 0.447 311 K N 0.453 120.827 120.400 -0.042 0.000 2.243 311 K HA -0.011 4.363 4.320 0.091 0.000 0.201 311 K C 0.751 177.375 176.600 0.041 0.000 1.051 311 K CA 0.439 56.726 56.287 0.001 0.000 0.970 311 K CB 0.134 32.634 32.500 -0.001 0.000 0.755 311 K HN 0.274 nan 8.250 nan 0.000 0.465 312 E N 3.188 123.434 120.200 0.077 0.000 2.014 312 E HA 0.113 4.517 4.350 0.091 0.000 0.275 312 E C -2.261 174.452 176.600 0.189 0.000 0.997 312 E CA -2.135 54.327 56.400 0.103 0.000 0.804 312 E CB 0.708 30.463 29.700 0.092 0.000 1.090 312 E HN -0.068 nan 8.360 nan 0.000 0.401 313 P HA -0.060 nan 4.420 nan 0.000 0.266 313 P C -0.146 177.225 177.300 0.118 0.000 1.195 313 P CA -0.137 63.069 63.100 0.177 0.000 0.768 313 P CB 0.917 32.685 31.700 0.113 0.000 0.838 314 V N 5.370 125.289 119.914 0.008 0.000 2.614 314 V HA 0.193 4.368 4.120 0.091 0.000 0.291 314 V C 0.780 176.775 176.094 -0.164 0.000 1.049 314 V CA 0.368 62.559 62.300 -0.181 0.000 1.038 314 V CB 0.000 31.614 31.823 -0.349 0.000 0.980 314 V HN 0.859 nan 8.190 nan 0.000 0.481 315 H N 2.410 121.185 119.070 -0.491 0.000 3.037 315 H HA 0.806 5.416 4.556 0.091 0.000 0.355 315 H C -0.504 174.176 175.328 -1.081 0.000 1.263 315 H CA -0.397 55.111 56.048 -0.900 0.000 1.129 315 H CB 2.069 31.504 29.762 -0.544 0.000 1.861 315 H HN 0.799 nan 8.280 nan 0.000 0.546 316 G N 0.250 108.038 108.800 -1.687 0.000 2.649 316 G HA2 0.510 4.525 3.960 0.091 0.000 0.290 316 G HA3 0.510 4.525 3.960 0.091 0.000 0.290 316 G C -0.494 174.004 174.900 -0.671 0.000 1.426 316 G CA -0.278 44.252 45.100 -0.949 0.000 0.794 316 G HN 0.816 nan 8.290 nan 0.000 0.483 317 V N -2.030 117.792 119.914 -0.153 0.000 3.369 317 V HA 0.776 4.950 4.120 0.091 0.000 0.309 317 V C -0.193 175.977 176.094 0.126 0.000 1.069 317 V CA -1.080 61.189 62.300 -0.051 0.000 1.042 317 V CB 0.831 32.686 31.823 0.054 0.000 1.192 317 V HN 0.607 nan 8.190 nan 0.000 0.447 318 Y N -0.456 120.027 120.300 0.305 0.000 2.408 318 Y HA 0.431 5.036 4.550 0.091 0.000 0.324 318 Y C 0.117 176.216 175.900 0.331 0.000 1.302 318 Y CA -0.505 57.791 58.100 0.327 0.000 1.384 318 Y CB 0.613 39.208 38.460 0.226 0.000 1.367 318 Y HN 0.728 nan 8.280 nan 0.000 0.525 319 Y N 1.159 121.698 120.300 0.397 0.000 2.359 319 Y HA 0.152 4.756 4.550 0.091 0.000 0.330 319 Y C -0.380 175.617 175.900 0.161 0.000 1.143 319 Y CA -0.455 57.813 58.100 0.281 0.000 1.318 319 Y CB 0.607 39.306 38.460 0.399 0.000 1.234 319 Y HN 0.541 nan 8.280 nan 0.000 0.522 320 D N 8.628 128.772 120.400 -0.427 0.000 2.458 320 D HA 0.233 4.928 4.640 0.091 0.000 0.258 320 D C -1.846 173.941 176.300 -0.856 0.000 1.134 320 D CA -2.522 51.192 54.000 -0.476 0.000 0.915 320 D CB 1.169 41.858 40.800 -0.184 0.000 1.028 320 D HN 0.344 nan 8.370 nan 0.000 0.508 321 P HA -0.122 nan 4.420 nan 0.000 0.224 321 P C 0.827 177.957 177.300 -0.283 0.000 1.142 321 P CA 0.604 63.302 63.100 -0.671 0.000 0.778 321 P CB 0.456 31.973 31.700 -0.306 0.000 0.764 322 S N -1.116 114.436 115.700 -0.247 0.000 2.461 322 S HA 0.033 4.558 4.470 0.091 0.000 0.228 322 S C 1.088 175.622 174.600 -0.109 0.000 1.005 322 S CA 0.670 58.789 58.200 -0.134 0.000 0.942 322 S CB -0.030 63.108 63.200 -0.104 0.000 0.776 322 S HN 0.296 nan 8.310 nan 0.000 0.514 323 K N 0.954 121.273 120.400 -0.134 0.000 2.245 323 K HA 0.310 4.684 4.320 0.091 0.000 0.234 323 K C -0.778 175.771 176.600 -0.085 0.000 1.021 323 K CA -0.784 55.449 56.287 -0.090 0.000 0.898 323 K CB 0.685 33.142 32.500 -0.071 0.000 1.163 323 K HN -0.028 nan 8.250 nan 0.000 0.459 324 D N 1.162 121.513 120.400 -0.080 0.000 2.283 324 D HA 0.211 4.906 4.640 0.091 0.000 0.248 324 D C -0.741 175.453 176.300 -0.177 0.000 1.072 324 D CA -0.286 53.649 54.000 -0.107 0.000 0.929 324 D CB 0.933 41.672 40.800 -0.102 0.000 1.182 324 D HN 0.240 nan 8.370 nan 0.000 0.433 325 L N 4.024 125.097 121.223 -0.251 0.000 2.265 325 L HA 0.369 4.763 4.340 0.091 0.000 0.288 325 L C -0.038 176.542 176.870 -0.484 0.000 1.058 325 L CA -0.364 54.219 54.840 -0.429 0.000 0.809 325 L CB 0.727 42.462 42.059 -0.540 0.000 1.179 325 L HN 0.210 nan 8.230 nan 0.000 0.429 326 I N 3.050 123.247 120.570 -0.621 0.000 2.465 326 I HA 0.621 4.846 4.170 0.091 0.000 0.291 326 I C -0.096 175.489 176.117 -0.887 0.000 1.014 326 I CA -0.566 60.285 61.300 -0.748 0.000 1.093 326 I CB 2.052 39.547 38.000 -0.842 0.000 1.267 326 I HN 0.573 nan 8.210 nan 0.000 0.431 327 A N 4.909 127.275 122.820 -0.756 0.000 2.331 327 A HA 0.692 5.066 4.320 0.091 0.000 0.320 327 A C -0.809 176.577 177.584 -0.329 0.000 1.138 327 A CA -0.471 51.214 52.037 -0.587 0.000 0.790 327 A CB 1.396 19.912 19.000 -0.807 0.000 1.206 327 A HN 0.780 nan 8.150 nan 0.000 0.470 328 E N 2.266 122.393 120.200 -0.122 0.000 2.199 328 E HA 0.621 5.026 4.350 0.091 0.000 0.265 328 E C -1.286 175.393 176.600 0.131 0.000 0.882 328 E CA -0.384 56.032 56.400 0.026 0.000 0.759 328 E CB 1.210 30.946 29.700 0.060 0.000 1.148 328 E HN 0.653 nan 8.360 nan 0.000 0.412 329 I N 2.985 123.654 120.570 0.165 0.000 2.648 329 I HA 0.369 4.593 4.170 0.091 0.000 0.304 329 I C -0.520 175.733 176.117 0.226 0.000 1.009 329 I CA -0.845 60.600 61.300 0.241 0.000 1.114 329 I CB 1.903 40.048 38.000 0.243 0.000 1.293 329 I HN 0.489 nan 8.210 nan 0.000 0.449 330 Q N 3.138 123.092 119.800 0.257 0.000 2.345 330 Q HA 0.341 4.735 4.340 0.091 0.000 0.275 330 Q C -1.039 174.987 176.000 0.043 0.000 1.063 330 Q CA -0.869 55.019 55.803 0.141 0.000 0.819 330 Q CB 2.648 31.427 28.738 0.069 0.000 1.356 330 Q HN 0.334 nan 8.270 nan 0.000 0.418 331 K N 2.111 122.409 120.400 -0.170 0.000 2.273 331 K HA 0.149 4.524 4.320 0.091 0.000 0.287 331 K C -0.282 176.087 176.600 -0.385 0.000 1.089 331 K CA 0.051 55.963 56.287 -0.626 0.000 0.909 331 K CB 0.649 32.769 32.500 -0.634 0.000 1.123 331 K HN 0.646 nan 8.250 nan 0.000 0.473 332 Q N 2.885 122.459 119.800 -0.376 0.000 2.897 332 Q HA 0.224 4.619 4.340 0.091 0.000 0.201 332 Q C 1.053 176.912 176.000 -0.235 0.000 1.137 332 Q CA 0.288 55.965 55.803 -0.211 0.000 0.620 332 Q CB 0.068 28.730 28.738 -0.127 0.000 4.785 332 Q HN 0.746 nan 8.270 nan 0.000 0.362 333 G N 0.217 108.921 108.800 -0.159 0.000 2.060 333 G HA2 -0.209 3.805 3.960 0.091 0.000 0.260 333 G HA3 -0.209 3.805 3.960 0.091 0.000 0.260 333 G C -0.475 174.330 174.900 -0.157 0.000 1.494 333 G CA 0.283 45.306 45.100 -0.129 0.000 1.033 333 G HN 0.442 nan 8.290 nan 0.000 0.429 334 Q N -0.057 119.684 119.800 -0.099 0.000 2.400 334 Q HA 0.492 4.886 4.340 0.091 0.000 0.255 334 Q C 0.534 176.524 176.000 -0.017 0.000 1.008 334 Q CA 0.535 56.298 55.803 -0.067 0.000 0.841 334 Q CB 0.566 29.282 28.738 -0.036 0.000 1.220 334 Q HN 1.413 nan 8.270 nan 0.000 0.474 335 G N 2.999 111.813 108.800 0.023 0.000 2.176 335 G HA2 -0.217 3.798 3.960 0.091 0.000 0.253 335 G HA3 -0.217 3.798 3.960 0.091 0.000 0.253 335 G C -0.148 174.876 174.900 0.206 0.000 0.979 335 G CA -0.030 45.191 45.100 0.202 0.000 0.641 335 G HN 0.519 nan 8.290 nan 0.000 0.530 336 Q N -0.772 119.003 119.800 -0.042 0.000 2.257 336 Q HA 0.574 4.969 4.340 0.091 0.000 0.255 336 Q C -0.914 174.953 176.000 -0.222 0.000 0.920 336 Q CA -0.125 55.664 55.803 -0.024 0.000 0.927 336 Q CB 1.250 29.944 28.738 -0.073 0.000 1.229 336 Q HN 0.395 nan 8.270 nan 0.000 0.433 337 W N 1.048 122.408 121.300 0.100 0.000 2.900 337 W HA 0.281 4.997 4.660 0.093 0.000 0.336 337 W C -0.068 176.552 176.519 0.168 0.000 1.064 337 W CA -0.557 56.880 57.345 0.155 0.000 1.237 337 W CB 1.407 31.015 29.460 0.246 0.000 1.391 337 W HN 0.440 nan 8.180 nan 0.000 0.468 338 T N -0.136 114.586 114.554 0.280 0.000 2.944 338 T HA 0.838 5.243 4.350 0.091 0.000 0.284 338 T C -1.096 173.771 174.700 0.279 0.000 1.010 338 T CA -0.582 61.618 62.100 0.167 0.000 1.025 338 T CB 1.811 70.705 68.868 0.043 0.000 1.079 338 T HN 0.486 nan 8.240 nan 0.000 0.516 339 Y N -1.222 119.143 120.300 0.109 0.000 2.521 339 Y HA 0.710 5.313 4.550 0.089 0.000 0.332 339 Y C -1.753 174.171 175.900 0.040 0.000 1.121 339 Y CA -1.422 56.726 58.100 0.080 0.000 1.037 339 Y CB 1.112 39.630 38.460 0.096 0.000 1.330 339 Y HN 0.606 nan 8.280 nan 0.000 0.452 340 Q N 3.567 123.503 119.800 0.228 0.000 2.375 340 Q HA 0.717 5.112 4.340 0.091 0.000 0.271 340 Q C -1.307 174.753 176.000 0.101 0.000 1.074 340 Q CA -0.687 55.199 55.803 0.138 0.000 0.808 340 Q CB 3.136 31.928 28.738 0.090 0.000 1.327 340 Q HN 0.780 nan 8.270 nan 0.000 0.441 341 I N 3.471 124.089 120.570 0.079 0.000 2.382 341 I HA 0.461 4.685 4.170 0.091 0.000 0.285 341 I C -1.079 174.978 176.117 -0.101 0.000 1.007 341 I CA -1.029 60.199 61.300 -0.121 0.000 1.142 341 I CB 0.348 38.325 38.000 -0.038 0.000 1.289 341 I HN 0.645 nan 8.210 nan 0.000 0.453 342 Y N 3.556 123.748 120.300 -0.180 0.000 2.665 342 Y HA 0.561 5.165 4.550 0.089 0.000 0.336 342 Y C 0.130 175.923 175.900 -0.177 0.000 1.085 342 Y CA -0.978 57.031 58.100 -0.152 0.000 1.096 342 Y CB 1.148 39.525 38.460 -0.137 0.000 1.301 342 Y HN 0.395 nan 8.280 nan 0.000 0.493 343 Q N -0.229 119.687 119.800 0.192 0.000 2.342 343 Q HA 0.296 4.691 4.340 0.091 0.000 0.261 343 Q C -0.851 175.258 176.000 0.182 0.000 0.841 343 Q CA 0.245 56.100 55.803 0.087 0.000 0.969 343 Q CB 1.380 30.124 28.738 0.009 0.000 1.136 343 Q HN 0.788 nan 8.270 nan 0.000 0.528 344 E N 1.070 121.382 120.200 0.187 0.000 2.293 344 E HA 0.316 4.721 4.350 0.091 0.000 0.270 344 E C -2.737 173.787 176.600 -0.128 0.000 0.879 344 E CA -2.414 54.020 56.400 0.056 0.000 0.756 344 E CB 2.036 31.751 29.700 0.025 0.000 1.208 344 E HN -0.182 nan 8.360 nan 0.000 0.428 345 P HA -0.159 nan 4.420 nan 0.000 0.255 345 P C -0.650 176.604 177.300 -0.076 0.000 1.141 345 P CA 0.940 63.856 63.100 -0.306 0.000 0.767 345 P CB -0.144 31.579 31.700 0.038 0.000 0.726 346 F N 0.495 120.095 119.950 -0.585 0.000 2.987 346 F HA -0.266 4.314 4.527 0.089 0.000 0.309 346 F C 0.991 176.680 175.800 -0.185 0.000 0.724 346 F CA 1.082 58.893 58.000 -0.314 0.000 1.079 346 F CB -1.770 37.104 39.000 -0.209 0.000 1.432 346 F HN 0.257 nan 8.300 nan 0.000 0.351 347 K N 1.970 122.351 120.400 -0.032 0.000 2.265 347 K HA 0.268 4.642 4.320 0.091 0.000 0.242 347 K C -0.090 176.533 176.600 0.037 0.000 1.137 347 K CA -0.223 56.071 56.287 0.011 0.000 1.082 347 K CB -0.191 32.322 32.500 0.021 0.000 1.731 347 K HN 0.049 nan 8.250 nan 0.000 0.392 348 N N 2.994 121.700 118.700 0.009 0.000 2.458 348 N HA -0.035 4.760 4.740 0.091 0.000 0.258 348 N C 0.794 176.350 175.510 0.077 0.000 1.219 348 N CA 0.214 53.289 53.050 0.043 0.000 0.902 348 N CB 0.824 39.294 38.487 -0.030 0.000 1.076 348 N HN 0.397 nan 8.380 nan 0.000 0.455 349 L N 0.979 122.305 121.223 0.172 0.000 2.200 349 L HA 0.147 4.541 4.340 0.091 0.000 0.200 349 L C 0.992 178.139 176.870 0.463 0.000 1.072 349 L CA 0.825 55.860 54.840 0.324 0.000 0.787 349 L CB 0.105 42.343 42.059 0.298 0.000 0.957 349 L HN 0.501 nan 8.230 nan 0.000 0.459 350 K N -0.735 119.860 120.400 0.325 0.000 2.536 350 K HA 0.387 4.761 4.320 0.091 0.000 0.269 350 K C -1.230 175.471 176.600 0.168 0.000 0.965 350 K CA -0.470 55.997 56.287 0.300 0.000 0.860 350 K CB 2.310 34.906 32.500 0.160 0.000 1.423 350 K HN -0.022 nan 8.250 nan 0.000 0.438 351 T N -0.814 113.785 114.554 0.076 0.000 2.900 351 T HA 0.853 5.257 4.350 0.091 0.000 0.303 351 T C -0.384 174.103 174.700 -0.355 0.000 1.142 351 T CA -0.302 61.716 62.100 -0.138 0.000 1.007 351 T CB 1.895 70.679 68.868 -0.140 0.000 1.156 351 T HN 0.770 nan 8.240 nan 0.000 0.490 352 G N 0.860 109.115 108.800 -0.909 0.000 2.561 352 G HA2 0.643 4.657 3.960 0.091 0.000 0.310 352 G HA3 0.643 4.657 3.960 0.091 0.000 0.310 352 G C -2.011 172.381 174.900 -0.848 0.000 1.292 352 G CA -0.912 43.638 45.100 -0.916 0.000 0.811 352 G HN 0.856 nan 8.290 nan 0.000 0.482 353 K N -1.388 118.843 120.400 -0.281 0.000 2.509 353 K HA 0.659 5.033 4.320 0.091 0.000 0.266 353 K C -2.246 174.575 176.600 0.369 0.000 0.987 353 K CA -0.991 55.341 56.287 0.074 0.000 0.868 353 K CB 2.647 35.168 32.500 0.035 0.000 1.421 353 K HN 0.690 nan 8.250 nan 0.000 0.444 354 Y N 0.651 121.138 120.300 0.312 0.000 2.396 354 Y HA 0.590 5.194 4.550 0.089 0.000 0.332 354 Y C -1.169 174.889 175.900 0.263 0.000 1.034 354 Y CA -0.160 58.093 58.100 0.255 0.000 1.057 354 Y CB 2.214 40.790 38.460 0.194 0.000 1.220 354 Y HN 0.608 nan 8.280 nan 0.000 0.440 355 A N 5.656 128.132 122.820 -0.574 0.000 2.704 355 A HA 0.329 4.704 4.320 0.091 0.000 0.260 355 A C 0.263 177.583 177.584 -0.440 0.000 1.144 355 A CA -0.536 51.282 52.037 -0.365 0.000 0.985 355 A CB 0.137 19.090 19.000 -0.078 0.000 1.256 355 A HN 0.746 nan 8.150 nan 0.000 0.598 356 R N -1.095 118.984 120.500 -0.702 0.000 2.862 356 R HA 0.178 4.573 4.340 0.091 0.000 0.267 356 R C -0.408 175.804 176.300 -0.146 0.000 0.995 356 R CA 0.576 56.498 56.100 -0.297 0.000 1.140 356 R CB 0.101 30.315 30.300 -0.143 0.000 1.031 356 R HN 0.260 nan 8.270 nan 0.000 0.459 357 M N 1.550 121.140 119.600 -0.017 0.000 1.986 357 M HA 0.162 4.697 4.480 0.091 0.000 0.247 357 M C -0.503 175.840 176.300 0.072 0.000 0.851 357 M CA 0.037 55.364 55.300 0.045 0.000 0.785 357 M CB 0.859 33.485 32.600 0.044 0.000 1.554 357 M HN 0.318 nan 8.290 nan 0.000 0.361 358 R N 2.194 122.756 120.500 0.102 0.000 3.641 358 R HA 0.471 4.865 4.340 0.091 0.000 0.189 358 R C 0.037 176.408 176.300 0.120 0.000 1.706 358 R CA 0.967 57.134 56.100 0.112 0.000 1.311 358 R CB -0.654 29.725 30.300 0.132 0.000 1.330 358 R HN 0.903 nan 8.270 nan 0.000 0.727 359 G N -0.032 108.825 108.800 0.096 0.000 2.497 359 G HA2 -0.088 3.927 3.960 0.091 0.000 0.686 359 G HA3 -0.088 3.927 3.960 0.091 0.000 0.686 359 G C 0.073 175.017 174.900 0.075 0.000 1.288 359 G CA -0.439 44.714 45.100 0.088 0.000 0.899 359 G HN 0.391 nan 8.290 nan 0.000 0.608 360 A N -0.503 122.331 122.820 0.022 0.000 1.935 360 A HA 0.345 4.720 4.320 0.091 0.000 0.214 360 A C 0.951 178.623 177.584 0.147 0.000 1.178 360 A CA 1.664 53.702 52.037 0.001 0.000 0.640 360 A CB -0.187 18.718 19.000 -0.158 0.000 0.825 360 A HN 0.930 nan 8.150 nan 0.000 0.447 361 H N -0.730 118.393 119.070 0.088 0.000 2.504 361 H HA 0.658 5.269 4.556 0.093 0.000 0.322 361 H C -0.231 175.175 175.328 0.130 0.000 1.055 361 H CA 0.043 56.148 56.048 0.095 0.000 1.231 361 H CB 1.190 30.997 29.762 0.076 0.000 1.417 361 H HN 0.240 nan 8.280 nan 0.000 0.472 362 T N 2.102 116.802 114.554 0.242 0.000 2.665 362 T HA 0.471 4.875 4.350 0.091 0.000 0.303 362 T C -1.269 173.523 174.700 0.154 0.000 1.334 362 T CA -0.888 61.329 62.100 0.195 0.000 1.011 362 T CB 1.442 70.412 68.868 0.170 0.000 1.573 362 T HN 0.861 nan 8.240 nan 0.000 0.492 363 N N -0.330 118.443 118.700 0.122 0.000 2.732 363 N HA 0.442 5.237 4.740 0.091 0.000 0.259 363 N C -0.158 175.390 175.510 0.065 0.000 1.402 363 N CA -0.646 52.468 53.050 0.106 0.000 0.829 363 N CB 0.510 39.049 38.487 0.087 0.000 1.495 363 N HN 0.331 nan 8.380 nan 0.000 0.511 364 D N -0.328 120.149 120.400 0.128 0.000 2.149 364 D HA -0.100 4.594 4.640 0.091 0.000 0.198 364 D C 1.614 177.860 176.300 -0.090 0.000 0.990 364 D CA 1.166 55.286 54.000 0.199 0.000 0.839 364 D CB -0.154 40.837 40.800 0.318 0.000 0.948 364 D HN 0.363 nan 8.370 nan 0.000 0.460 365 V N 0.690 120.357 119.914 -0.411 0.000 2.379 365 V HA -0.183 3.991 4.120 0.091 0.000 0.245 365 V C 2.415 177.873 176.094 -1.059 0.000 1.044 365 V CA 1.343 63.134 62.300 -0.848 0.000 1.036 365 V CB -0.409 30.536 31.823 -1.462 0.000 0.664 365 V HN 0.146 nan 8.190 nan 0.000 0.453 366 K N -0.069 119.777 120.400 -0.925 0.000 2.057 366 K HA -0.232 4.142 4.320 0.091 0.000 0.207 366 K C 2.283 178.648 176.600 -0.392 0.000 1.049 366 K CA 1.719 57.677 56.287 -0.549 0.000 0.931 366 K CB -0.122 32.267 32.500 -0.185 0.000 0.714 366 K HN 0.525 nan 8.250 nan 0.000 0.440 367 Q N 0.528 120.132 119.800 -0.327 0.000 2.084 367 Q HA -0.154 4.240 4.340 0.091 0.000 0.202 367 Q C 2.258 177.743 176.000 -0.859 0.000 0.978 367 Q CA 1.290 56.873 55.803 -0.368 0.000 0.844 367 Q CB -0.111 28.565 28.738 -0.103 0.000 0.898 367 Q HN 0.400 nan 8.270 nan 0.000 0.426 368 L N 0.503 121.135 121.223 -0.985 0.000 2.083 368 L HA -0.171 4.224 4.340 0.091 0.000 0.209 368 L C 2.000 178.430 176.870 -0.734 0.000 1.083 368 L CA 1.263 55.456 54.840 -1.078 0.000 0.752 368 L CB -0.288 41.386 42.059 -0.642 0.000 0.899 368 L HN 0.264 nan 8.230 nan 0.000 0.433 369 T N -0.434 113.773 114.554 -0.579 0.000 2.788 369 T HA -0.198 4.206 4.350 0.091 0.000 0.268 369 T C 1.599 176.038 174.700 -0.435 0.000 1.044 369 T CA 1.583 63.432 62.100 -0.418 0.000 1.139 369 T CB -0.140 68.604 68.868 -0.207 0.000 0.867 369 T HN 0.456 nan 8.240 nan 0.000 0.454 370 E N 1.052 120.972 120.200 -0.468 0.000 2.077 370 E HA -0.038 4.367 4.350 0.091 0.000 0.193 370 E C 2.567 178.657 176.600 -0.851 0.000 0.989 370 E CA 0.945 57.043 56.400 -0.504 0.000 0.800 370 E CB -0.210 29.277 29.700 -0.355 0.000 0.746 370 E HN 0.474 nan 8.360 nan 0.000 0.452 371 A N 0.921 123.084 122.820 -1.094 0.000 1.902 371 A HA -0.142 4.233 4.320 0.091 0.000 0.217 371 A C 2.494 179.702 177.584 -0.628 0.000 1.181 371 A CA 1.082 52.481 52.037 -1.064 0.000 0.623 371 A CB -0.660 17.892 19.000 -0.747 0.000 0.818 371 A HN 0.115 nan 8.150 nan 0.000 0.443 372 V N -0.052 119.506 119.914 -0.592 0.000 2.287 372 V HA -0.310 3.864 4.120 0.091 0.000 0.248 372 V C 2.780 178.583 176.094 -0.484 0.000 1.053 372 V CA 2.493 64.425 62.300 -0.613 0.000 1.027 372 V CB -0.737 30.592 31.823 -0.823 0.000 0.646 372 V HN 0.734 nan 8.190 nan 0.000 0.447 373 Q N 0.867 120.410 119.800 -0.429 0.000 2.045 373 Q HA -0.260 4.134 4.340 0.091 0.000 0.206 373 Q C 2.251 178.119 176.000 -0.220 0.000 0.991 373 Q CA 2.430 58.063 55.803 -0.283 0.000 0.851 373 Q CB -0.549 28.054 28.738 -0.225 0.000 0.911 373 Q HN 0.591 nan 8.270 nan 0.000 0.418 374 K N -0.271 119.959 120.400 -0.283 0.000 2.020 374 K HA -0.191 4.183 4.320 0.091 0.000 0.212 374 K C 2.052 178.549 176.600 -0.172 0.000 1.050 374 K CA 1.942 58.110 56.287 -0.198 0.000 0.929 374 K CB -0.400 31.965 32.500 -0.225 0.000 0.714 374 K HN 0.384 nan 8.250 nan 0.000 0.443 375 I N 0.755 121.174 120.570 -0.251 0.000 2.361 375 I HA -0.245 3.979 4.170 0.091 0.000 0.251 375 I C 2.198 178.285 176.117 -0.050 0.000 1.133 375 I CA 1.285 62.441 61.300 -0.239 0.000 1.413 375 I CB -0.389 37.436 38.000 -0.291 0.000 1.073 375 I HN 0.267 nan 8.210 nan 0.000 0.424 376 T N 0.015 114.579 114.554 0.016 0.000 2.708 376 T HA -0.161 4.243 4.350 0.091 0.000 0.266 376 T C 1.956 176.660 174.700 0.007 0.000 1.037 376 T CA 2.079 64.212 62.100 0.056 0.000 1.146 376 T CB -0.336 68.538 68.868 0.009 0.000 0.865 376 T HN 0.350 nan 8.240 nan 0.000 0.435 377 T N 1.537 116.077 114.554 -0.024 0.000 2.720 377 T HA -0.119 4.286 4.350 0.091 0.000 0.268 377 T C 1.916 176.600 174.700 -0.026 0.000 1.037 377 T CA 1.378 63.468 62.100 -0.018 0.000 1.144 377 T CB -0.231 68.625 68.868 -0.021 0.000 0.864 377 T HN 0.513 nan 8.240 nan 0.000 0.444 378 E N 0.518 120.696 120.200 -0.037 0.000 2.072 378 E HA -0.114 4.291 4.350 0.091 0.000 0.191 378 E C 2.381 178.927 176.600 -0.089 0.000 0.985 378 E CA 1.105 57.468 56.400 -0.062 0.000 0.801 378 E CB -0.014 29.657 29.700 -0.047 0.000 0.750 378 E HN 0.347 nan 8.360 nan 0.000 0.452 379 S N 0.819 116.529 115.700 0.016 0.000 2.351 379 S HA -0.174 4.351 4.470 0.091 0.000 0.220 379 S C 2.004 176.649 174.600 0.075 0.000 1.035 379 S CA 1.336 59.645 58.200 0.182 0.000 1.031 379 S CB -0.333 62.976 63.200 0.181 0.000 0.928 379 S HN 0.302 nan 8.310 nan 0.000 0.433 380 I N 1.192 121.782 120.570 0.033 0.000 2.194 380 I HA -0.190 4.035 4.170 0.091 0.000 0.246 380 I C 2.185 178.280 176.117 -0.037 0.000 1.093 380 I CA 1.029 62.337 61.300 0.014 0.000 1.355 380 I CB -0.535 37.474 38.000 0.014 0.000 1.046 380 I HN 0.155 nan 8.210 nan 0.000 0.413 381 V N 0.928 120.797 119.914 -0.076 0.000 2.379 381 V HA -0.225 3.950 4.120 0.091 0.000 0.245 381 V C 2.202 178.170 176.094 -0.211 0.000 1.044 381 V CA 1.732 63.968 62.300 -0.107 0.000 1.036 381 V CB -0.192 31.576 31.823 -0.091 0.000 0.664 381 V HN 0.320 nan 8.190 nan 0.000 0.453 382 I N -1.675 118.664 120.570 -0.386 0.000 2.235 382 I HA -0.141 4.083 4.170 0.091 0.000 0.241 382 I C 2.036 177.661 176.117 -0.820 0.000 1.085 382 I CA 1.466 62.316 61.300 -0.749 0.000 1.378 382 I CB -0.225 36.954 38.000 -1.369 0.000 1.076 382 I HN 0.384 nan 8.210 nan 0.000 0.415 383 W N 0.310 121.457 121.300 -0.255 0.000 3.103 383 W HA 0.352 5.067 4.660 0.090 0.000 0.325 383 W C 1.463 177.871 176.519 -0.184 0.000 1.170 383 W CA 0.646 57.778 57.345 -0.355 0.000 1.712 383 W CB -0.133 28.977 29.460 -0.582 0.000 1.068 383 W HN 0.364 nan 8.180 nan 0.000 0.592 384 G N 2.155 110.980 108.800 0.042 0.000 2.162 384 G HA2 -0.324 3.690 3.960 0.091 0.000 0.260 384 G HA3 -0.324 3.690 3.960 0.091 0.000 0.260 384 G C 0.167 175.107 174.900 0.066 0.000 0.976 384 G CA 1.028 46.156 45.100 0.047 0.000 0.655 384 G HN 0.387 nan 8.290 nan 0.000 0.533 385 K N -1.073 119.378 120.400 0.084 0.000 2.533 385 K HA 0.768 5.142 4.320 0.091 0.000 0.272 385 K C -0.148 176.475 176.600 0.038 0.000 0.985 385 K CA -0.408 55.911 56.287 0.054 0.000 0.876 385 K CB 1.130 33.658 32.500 0.047 0.000 1.452 385 K HN 0.453 nan 8.250 nan 0.000 0.439 386 T N -0.955 113.604 114.554 0.009 0.000 2.922 386 T HA 0.596 5.001 4.350 0.091 0.000 0.285 386 T C -2.125 172.516 174.700 -0.097 0.000 1.005 386 T CA -1.465 60.631 62.100 -0.007 0.000 1.061 386 T CB 1.100 69.985 68.868 0.028 0.000 1.007 386 T HN 0.559 nan 8.240 nan 0.000 0.502 387 P HA 0.395 nan 4.420 nan 0.000 0.289 387 P C -1.163 175.877 177.300 -0.434 0.000 1.300 387 P CA -0.947 61.890 63.100 -0.437 0.000 0.828 387 P CB 1.127 32.414 31.700 -0.689 0.000 1.235 388 K N 0.934 121.086 120.400 -0.414 0.000 2.227 388 K HA 0.338 4.713 4.320 0.091 0.000 0.280 388 K C -1.085 175.315 176.600 -0.332 0.000 1.041 388 K CA -0.423 55.730 56.287 -0.224 0.000 0.905 388 K CB 0.088 32.484 32.500 -0.173 0.000 1.068 388 K HN 0.264 nan 8.250 nan 0.000 0.470 389 F N 2.735 122.618 119.950 -0.111 0.000 2.422 389 F HA 0.376 4.957 4.527 0.090 0.000 0.333 389 F C 0.443 176.264 175.800 0.035 0.000 1.095 389 F CA -0.583 57.367 58.000 -0.082 0.000 1.038 389 F CB 1.363 40.289 39.000 -0.122 0.000 1.156 389 F HN 0.230 nan 8.300 nan 0.000 0.483 390 K N 4.395 124.905 120.400 0.184 0.000 2.449 390 K HA 0.592 4.967 4.320 0.091 0.000 0.257 390 K C -1.355 175.377 176.600 0.220 0.000 0.989 390 K CA -0.370 56.033 56.287 0.193 0.000 0.916 390 K CB 1.292 33.836 32.500 0.074 0.000 1.136 390 K HN 0.505 nan 8.250 nan 0.000 0.439 391 L N 4.025 125.450 121.223 0.337 0.000 2.346 391 L HA 0.489 4.884 4.340 0.091 0.000 0.274 391 L C -2.007 175.043 176.870 0.300 0.000 1.007 391 L CA -2.240 52.713 54.840 0.188 0.000 0.818 391 L CB 1.862 43.828 42.059 -0.156 0.000 1.284 391 L HN 0.403 nan 8.230 nan 0.000 0.424 392 P HA 0.184 nan 4.420 nan 0.000 0.218 392 P C -0.624 176.910 177.300 0.389 0.000 1.793 392 P CA 0.443 63.711 63.100 0.281 0.000 0.941 392 P CB 0.231 32.038 31.700 0.178 0.000 1.919 393 I N -0.350 120.528 120.570 0.514 0.000 2.649 393 I HA 0.205 4.429 4.170 0.091 0.000 0.289 393 I C -0.595 175.622 176.117 0.167 0.000 1.222 393 I CA -0.863 60.594 61.300 0.262 0.000 1.046 393 I CB 2.650 40.685 38.000 0.058 0.000 1.272 393 I HN -0.104 nan 8.210 nan 0.000 0.425 394 Q N 5.427 125.109 119.800 -0.196 0.000 2.421 394 Q HA 0.093 4.488 4.340 0.091 0.000 0.255 394 Q C 0.737 176.790 176.000 0.087 0.000 1.013 394 Q CA -0.274 55.276 55.803 -0.422 0.000 0.895 394 Q CB 1.128 29.623 28.738 -0.404 0.000 1.271 394 Q HN 0.474 nan 8.270 nan 0.000 0.460 395 K N 1.967 122.426 120.400 0.099 0.000 2.057 395 K HA -0.215 4.160 4.320 0.091 0.000 0.207 395 K C 1.671 178.444 176.600 0.287 0.000 1.049 395 K CA 1.467 57.938 56.287 0.307 0.000 0.931 395 K CB -0.040 32.489 32.500 0.049 0.000 0.714 395 K HN 0.658 nan 8.250 nan 0.000 0.440 396 E N 0.537 120.809 120.200 0.120 0.000 2.033 396 E HA -0.171 4.233 4.350 0.091 0.000 0.199 396 E C 1.663 178.343 176.600 0.133 0.000 1.011 396 E CA 2.086 58.547 56.400 0.102 0.000 0.815 396 E CB -0.391 29.321 29.700 0.020 0.000 0.755 396 E HN 0.288 nan 8.360 nan 0.000 0.451 397 T N 0.272 114.881 114.554 0.091 0.000 2.555 397 T HA -0.225 4.180 4.350 0.091 0.000 0.264 397 T C 1.357 176.159 174.700 0.170 0.000 1.083 397 T CA 1.895 64.039 62.100 0.074 0.000 1.179 397 T CB -1.061 67.809 68.868 0.003 0.000 0.863 397 T HN 0.477 nan 8.240 nan 0.000 0.412 398 W N 1.968 123.308 121.300 0.068 0.000 2.331 398 W HA -0.160 4.552 4.660 0.087 0.000 0.291 398 W C 2.379 179.107 176.519 0.349 0.000 1.214 398 W CA 1.643 59.054 57.345 0.109 0.000 1.228 398 W CB -0.125 29.271 29.460 -0.107 0.000 1.135 398 W HN 0.414 nan 8.180 nan 0.000 0.537 399 E N -1.154 119.379 120.200 0.554 0.000 2.152 399 E HA -0.169 4.235 4.350 0.091 0.000 0.192 399 E C 1.940 178.663 176.600 0.205 0.000 0.983 399 E CA 1.683 58.429 56.400 0.577 0.000 0.818 399 E CB -0.140 29.921 29.700 0.602 0.000 0.758 399 E HN 0.156 nan 8.360 nan 0.000 0.467 400 T N -0.058 114.566 114.554 0.116 0.000 2.777 400 T HA -0.160 4.245 4.350 0.091 0.000 0.266 400 T C 1.046 175.721 174.700 -0.042 0.000 1.040 400 T CA 1.254 63.358 62.100 0.008 0.000 1.141 400 T CB -0.387 68.496 68.868 0.025 0.000 0.868 400 T HN 0.455 nan 8.240 nan 0.000 0.444 401 W N 0.730 121.902 121.300 -0.214 0.000 2.388 401 W HA -0.057 4.659 4.660 0.093 0.000 0.294 401 W C 2.010 178.350 176.519 -0.299 0.000 1.212 401 W CA 0.615 57.805 57.345 -0.258 0.000 1.271 401 W CB -0.380 28.892 29.460 -0.314 0.000 1.126 401 W HN 0.375 nan 8.180 nan 0.000 0.535 402 W N 2.066 123.022 121.300 -0.572 0.000 2.332 402 W HA -0.253 4.460 4.660 0.088 0.000 0.321 402 W C 2.407 178.597 176.519 -0.547 0.000 1.219 402 W CA 3.773 60.597 57.345 -0.868 0.000 1.277 402 W CB -1.227 27.461 29.460 -1.286 0.000 1.161 402 W HN -0.041 nan 8.180 nan 0.000 0.476 403 T N -1.599 112.311 114.554 -1.073 0.000 3.160 403 T HA -0.075 4.329 4.350 0.091 0.000 0.257 403 T C 1.483 175.852 174.700 -0.552 0.000 1.147 403 T CA 1.304 62.774 62.100 -1.051 0.000 1.064 403 T CB -0.215 68.015 68.868 -1.062 0.000 0.949 403 T HN 0.572 nan 8.240 nan 0.000 0.526 404 E N -0.470 119.454 120.200 -0.460 0.000 2.307 404 E HA 0.052 4.457 4.350 0.091 0.000 0.195 404 E C -0.154 176.270 176.600 -0.293 0.000 0.975 404 E CA -0.487 55.728 56.400 -0.309 0.000 0.878 404 E CB 0.145 29.709 29.700 -0.226 0.000 0.845 404 E HN 0.550 nan 8.360 nan 0.000 0.488 405 Y N 1.904 121.794 120.300 -0.684 0.000 2.425 405 Y HA -0.090 4.516 4.550 0.093 0.000 0.331 405 Y C 1.062 176.737 175.900 -0.375 0.000 1.157 405 Y CA -0.646 57.041 58.100 -0.688 0.000 1.372 405 Y CB 0.399 38.040 38.460 -1.366 0.000 1.253 405 Y HN 0.178 nan 8.280 nan 0.000 0.536 406 W N 4.040 124.864 121.300 -0.793 0.000 2.465 406 W HA -0.008 4.706 4.660 0.089 0.000 0.268 406 W C -0.638 175.516 176.519 -0.609 0.000 1.242 406 W CA 0.198 57.178 57.345 -0.608 0.000 1.248 406 W CB -0.353 28.827 29.460 -0.467 0.000 1.118 406 W HN 0.509 nan 8.180 nan 0.000 0.587 407 Q N 0.720 119.523 119.800 -1.662 0.000 2.205 407 Q HA 0.549 4.944 4.340 0.091 0.000 0.249 407 Q C -0.364 175.393 176.000 -0.405 0.000 0.948 407 Q CA -0.559 54.619 55.803 -1.041 0.000 0.895 407 Q CB 1.854 29.902 28.738 -1.150 0.000 1.249 407 Q HN -0.019 nan 8.270 nan 0.000 0.458 408 A N 1.394 124.099 122.820 -0.192 0.000 2.362 408 A HA 0.456 4.830 4.320 0.091 0.000 0.276 408 A C -0.083 177.540 177.584 0.066 0.000 1.153 408 A CA -0.287 51.734 52.037 -0.027 0.000 0.813 408 A CB 0.071 19.058 19.000 -0.023 0.000 1.081 408 A HN 0.663 nan 8.150 nan 0.000 0.507 409 T N -0.439 114.230 114.554 0.193 0.000 2.932 409 T HA 0.607 5.012 4.350 0.091 0.000 0.289 409 T C -0.653 174.282 174.700 0.393 0.000 1.039 409 T CA -0.574 61.700 62.100 0.290 0.000 1.024 409 T CB 1.343 70.464 68.868 0.421 0.000 1.090 409 T HN 0.775 nan 8.240 nan 0.000 0.496 410 W N 3.437 124.764 121.300 0.046 0.000 2.424 410 W HA 0.584 5.298 4.660 0.091 0.000 0.318 410 W C -1.476 174.953 176.519 -0.151 0.000 1.016 410 W CA -1.306 56.011 57.345 -0.047 0.000 1.268 410 W CB 1.222 30.642 29.460 -0.066 0.000 1.297 410 W HN 0.619 nan 8.180 nan 0.000 0.428 411 I N 9.626 130.076 120.570 -0.200 0.000 2.440 411 I HA 0.478 4.702 4.170 0.091 0.000 0.294 411 I C -1.905 173.387 176.117 -1.375 0.000 0.995 411 I CA -2.778 57.970 61.300 -0.919 0.000 1.306 411 I CB 1.398 38.520 38.000 -1.463 0.000 1.407 411 I HN 0.232 nan 8.210 nan 0.000 0.501 412 P HA 0.300 nan 4.420 nan 0.000 0.287 412 P C -1.625 175.429 177.300 -0.409 0.000 1.292 412 P CA -0.725 61.880 63.100 -0.825 0.000 0.879 412 P CB 0.825 32.161 31.700 -0.606 0.000 1.214 413 E N 0.744 120.796 120.200 -0.246 0.000 2.417 413 E HA 0.215 4.620 4.350 0.091 0.000 0.261 413 E C -0.812 175.814 176.600 0.043 0.000 1.000 413 E CA -0.330 56.004 56.400 -0.112 0.000 0.919 413 E CB -0.057 29.581 29.700 -0.102 0.000 0.955 413 E HN 0.527 nan 8.360 nan 0.000 0.455 414 W N 2.179 123.361 121.300 -0.197 0.000 3.083 414 W HA 0.443 5.155 4.660 0.086 0.000 0.333 414 W C -1.648 174.833 176.519 -0.063 0.000 1.217 414 W CA -1.164 56.111 57.345 -0.116 0.000 1.170 414 W CB 1.099 30.454 29.460 -0.174 0.000 1.437 414 W HN 0.579 nan 8.180 nan 0.000 0.557 415 E N 3.123 123.266 120.200 -0.095 0.000 2.171 415 E HA 0.358 4.762 4.350 0.091 0.000 0.271 415 E C -1.345 175.341 176.600 0.143 0.000 0.916 415 E CA -0.891 55.425 56.400 -0.141 0.000 0.774 415 E CB 1.321 31.000 29.700 -0.036 0.000 1.128 415 E HN 0.440 nan 8.360 nan 0.000 0.403 416 F N 4.430 124.340 119.950 -0.066 0.000 2.440 416 F HA 0.401 4.977 4.527 0.081 0.000 0.323 416 F C -0.755 175.110 175.800 0.108 0.000 1.192 416 F CA -0.428 57.660 58.000 0.148 0.000 1.252 416 F CB 1.326 40.380 39.000 0.090 0.000 1.214 416 F HN 0.194 nan 8.300 nan 0.000 0.578 417 V N 5.117 124.573 119.914 -0.764 0.000 2.674 417 V HA 0.232 4.406 4.120 0.091 0.000 0.279 417 V C -0.794 174.760 176.094 -0.900 0.000 1.051 417 V CA -0.732 61.182 62.300 -0.644 0.000 0.912 417 V CB 0.980 32.687 31.823 -0.194 0.000 1.044 417 V HN 0.852 nan 8.190 nan 0.000 0.464 418 N N 3.977 122.084 118.700 -0.988 0.000 2.938 418 N HA 0.103 4.897 4.740 0.091 0.000 0.286 418 N C 0.101 175.501 175.510 -0.183 0.000 1.316 418 N CA 0.412 53.152 53.050 -0.517 0.000 1.063 418 N CB -0.028 38.322 38.487 -0.228 0.000 1.388 418 N HN 0.737 nan 8.380 nan 0.000 0.545 419 T N 2.084 116.550 114.554 -0.147 0.000 3.016 419 T HA 0.262 4.667 4.350 0.091 0.000 0.335 419 T C -2.290 172.409 174.700 -0.003 0.000 1.176 419 T CA -1.275 60.795 62.100 -0.050 0.000 0.987 419 T CB 0.874 69.721 68.868 -0.035 0.000 1.073 419 T HN 0.196 nan 8.240 nan 0.000 0.547 420 P HA 0.077 nan 4.420 nan 0.000 0.269 420 P C -2.365 174.949 177.300 0.023 0.000 1.200 420 P CA -0.798 62.325 63.100 0.039 0.000 0.779 420 P CB -0.239 31.486 31.700 0.041 0.000 0.841 421 P HA 0.219 nan 4.420 nan 0.000 0.278 421 P C -0.592 176.755 177.300 0.078 0.000 1.238 421 P CA -0.095 63.037 63.100 0.053 0.000 0.794 421 P CB 0.521 32.245 31.700 0.039 0.000 0.955 422 L N 1.534 122.823 121.223 0.110 0.000 2.379 422 L HA 0.343 4.737 4.340 0.091 0.000 0.269 422 L C -0.072 176.864 176.870 0.109 0.000 1.084 422 L CA -1.114 53.809 54.840 0.139 0.000 0.802 422 L CB 1.163 43.320 42.059 0.163 0.000 1.175 422 L HN 0.078 nan 8.230 nan 0.000 0.448 423 V N 2.870 122.858 119.914 0.123 0.000 2.461 423 V HA 0.303 4.477 4.120 0.091 0.000 0.275 423 V C 0.032 176.093 176.094 -0.054 0.000 1.047 423 V CA -0.402 61.953 62.300 0.092 0.000 0.955 423 V CB 0.896 32.807 31.823 0.147 0.000 0.988 423 V HN 0.801 nan 8.190 nan 0.000 0.471 424 K N 4.273 124.545 120.400 -0.214 0.000 2.509 424 K HA 0.688 5.062 4.320 0.091 0.000 0.266 424 K C -1.466 174.807 176.600 -0.546 0.000 0.987 424 K CA -1.070 54.972 56.287 -0.408 0.000 0.868 424 K CB 2.071 34.222 32.500 -0.581 0.000 1.421 424 K HN 0.337 nan 8.250 nan 0.000 0.444 425 L N 2.460 123.443 121.223 -0.400 0.000 2.325 425 L HA 0.184 4.579 4.340 0.091 0.000 0.284 425 L C 0.002 176.666 176.870 -0.344 0.000 1.089 425 L CA -0.445 54.223 54.840 -0.287 0.000 0.836 425 L CB 0.069 42.044 42.059 -0.141 0.000 1.184 425 L HN 0.679 nan 8.230 nan 0.000 0.444 426 W N 4.195 125.486 121.300 -0.015 0.000 2.825 426 W HA -0.015 4.661 4.660 0.025 0.000 0.243 426 W C 0.131 176.775 176.519 0.207 0.000 1.293 426 W CA -0.021 57.381 57.345 0.094 0.000 1.403 426 W CB -0.218 29.333 29.460 0.152 0.000 1.134 426 W HN 0.538 nan 8.180 nan 0.000 0.666 427 Y N -3.300 117.101 120.300 0.167 0.000 2.927 427 Y HA 0.377 4.977 4.550 0.084 0.000 0.392 427 Y C -1.489 174.468 175.900 0.095 0.000 1.159 427 Y CA -2.040 56.131 58.100 0.120 0.000 1.220 427 Y CB 0.258 38.796 38.460 0.131 0.000 1.506 427 Y HN -0.145 nan 8.280 nan 0.000 0.481 428 Q N 2.366 122.323 119.800 0.262 0.000 2.263 428 Q HA 0.523 4.917 4.340 0.091 0.000 0.262 428 Q C -1.522 174.632 176.000 0.257 0.000 0.984 428 Q CA -0.868 55.029 55.803 0.156 0.000 0.813 428 Q CB 2.989 31.767 28.738 0.067 0.000 1.299 428 Q HN 0.728 nan 8.270 nan 0.000 0.428 429 L N 2.310 123.690 121.223 0.262 0.000 2.439 429 L HA 0.134 4.528 4.340 0.091 0.000 0.269 429 L C 0.848 177.812 176.870 0.157 0.000 1.179 429 L CA -0.225 54.734 54.840 0.198 0.000 0.828 429 L CB 0.337 42.489 42.059 0.154 0.000 1.106 429 L HN 0.465 nan 8.230 nan 0.000 0.467 430 E N 2.279 122.585 120.200 0.177 0.000 2.425 430 E HA -0.020 4.384 4.350 0.091 0.000 0.258 430 E C 0.330 177.082 176.600 0.252 0.000 1.151 430 E CA 0.207 56.718 56.400 0.186 0.000 0.958 430 E CB 0.616 30.433 29.700 0.196 0.000 0.968 430 E HN 0.453 nan 8.360 nan 0.000 0.451 431 K N 0.478 120.977 120.400 0.164 0.000 2.370 431 K HA 0.118 4.492 4.320 0.091 0.000 0.194 431 K C 0.100 176.771 176.600 0.118 0.000 1.070 431 K CA 0.216 56.605 56.287 0.171 0.000 0.998 431 K CB 0.706 33.246 32.500 0.067 0.000 0.911 431 K HN 0.274 nan 8.250 nan 0.000 0.533 432 E N 1.404 121.520 120.200 -0.140 0.000 2.288 432 E HA 0.286 4.691 4.350 0.091 0.000 0.268 432 E C -2.720 173.323 176.600 -0.929 0.000 0.885 432 E CA -2.609 53.502 56.400 -0.480 0.000 0.767 432 E CB 1.617 31.174 29.700 -0.238 0.000 1.220 432 E HN -0.112 nan 8.360 nan 0.000 0.427 433 P HA 0.105 nan 4.420 nan 0.000 0.267 433 P C -0.101 176.996 177.300 -0.338 0.000 1.200 433 P CA 0.038 62.620 63.100 -0.862 0.000 0.772 433 P CB 0.580 31.999 31.700 -0.468 0.000 0.855 434 I N 2.423 122.900 120.570 -0.155 0.000 2.352 434 I HA 0.061 4.286 4.170 0.091 0.000 0.290 434 I C 0.588 176.676 176.117 -0.048 0.000 1.036 434 I CA -0.659 60.597 61.300 -0.073 0.000 1.336 434 I CB 0.828 38.819 38.000 -0.016 0.000 1.407 434 I HN 0.060 nan 8.210 nan 0.000 0.497 435 V N 7.066 126.953 119.914 -0.046 0.000 2.479 435 V HA 0.255 4.430 4.120 0.091 0.000 0.281 435 V C 1.265 177.353 176.094 -0.010 0.000 1.031 435 V CA 1.074 63.357 62.300 -0.028 0.000 1.038 435 V CB 0.179 31.984 31.823 -0.029 0.000 0.981 435 V HN 1.153 nan 8.190 nan 0.000 0.478 436 G N 4.013 112.813 108.800 0.001 0.000 2.225 436 G HA2 -0.155 3.859 3.960 0.091 0.000 0.254 436 G HA3 -0.155 3.859 3.960 0.091 0.000 0.254 436 G C 0.456 175.369 174.900 0.021 0.000 0.988 436 G CA 0.163 45.269 45.100 0.010 0.000 0.625 436 G HN 1.466 nan 8.290 nan 0.000 0.527 437 A N 0.319 123.152 122.820 0.022 0.000 2.388 437 A HA 0.626 5.001 4.320 0.091 0.000 0.257 437 A C 0.469 178.094 177.584 0.069 0.000 1.095 437 A CA 0.565 52.625 52.037 0.038 0.000 0.791 437 A CB 0.382 19.398 19.000 0.027 0.000 1.029 437 A HN 0.660 nan 8.150 nan 0.000 0.489 438 E N 1.111 121.377 120.200 0.109 0.000 2.465 438 E HA 0.134 4.539 4.350 0.091 0.000 0.260 438 E C -0.544 176.199 176.600 0.239 0.000 0.980 438 E CA 0.355 56.857 56.400 0.171 0.000 0.927 438 E CB 0.347 30.218 29.700 0.285 0.000 0.934 438 E HN 0.565 nan 8.360 nan 0.000 0.459 439 T N 5.329 119.977 114.554 0.158 0.000 2.744 439 T HA 0.299 4.704 4.350 0.091 0.000 0.291 439 T C -0.846 173.935 174.700 0.135 0.000 0.957 439 T CA -0.353 61.828 62.100 0.135 0.000 1.002 439 T CB 0.057 68.960 68.868 0.058 0.000 0.919 439 T HN 0.219 nan 8.240 nan 0.000 0.468 440 F N 2.907 122.778 119.950 -0.131 0.000 2.388 440 F HA 0.400 4.984 4.527 0.094 0.000 0.358 440 F C -0.256 175.482 175.800 -0.104 0.000 1.122 440 F CA -1.505 56.433 58.000 -0.104 0.000 1.056 440 F CB 0.720 39.578 39.000 -0.237 0.000 1.155 440 F HN 0.518 nan 8.300 nan 0.000 0.461 441 Y N 3.465 123.840 120.300 0.126 0.000 2.454 441 Y HA 0.448 5.053 4.550 0.092 0.000 0.345 441 Y C 0.266 176.269 175.900 0.172 0.000 0.970 441 Y CA -1.063 57.105 58.100 0.113 0.000 1.204 441 Y CB 0.724 39.221 38.460 0.061 0.000 1.122 441 Y HN 0.391 nan 8.280 nan 0.000 0.514 442 V N -0.195 119.878 119.914 0.266 0.000 2.863 442 V HA 0.769 4.944 4.120 0.091 0.000 0.307 442 V C -0.544 175.674 176.094 0.207 0.000 1.061 442 V CA -0.398 62.066 62.300 0.273 0.000 1.024 442 V CB 2.019 33.982 31.823 0.233 0.000 1.049 442 V HN 0.594 nan 8.190 nan 0.000 0.471 443 D N -0.069 120.444 120.400 0.188 0.000 2.648 443 D HA 0.786 5.481 4.640 0.091 0.000 0.244 443 D C -0.484 175.887 176.300 0.118 0.000 1.244 443 D CA 0.652 54.737 54.000 0.141 0.000 0.772 443 D CB 2.134 43.007 40.800 0.122 0.000 1.379 443 D HN 1.252 nan 8.370 nan 0.000 0.428 444 G N -0.604 108.256 108.800 0.101 0.000 2.632 444 G HA2 0.851 4.866 3.960 0.091 0.000 0.292 444 G HA3 0.851 4.866 3.960 0.091 0.000 0.292 444 G C -1.618 173.322 174.900 0.068 0.000 1.465 444 G CA 0.131 45.280 45.100 0.082 0.000 0.824 444 G HN 0.777 nan 8.290 nan 0.000 0.509 445 A N -0.873 121.977 122.820 0.051 0.000 2.438 445 A HA 1.126 5.501 4.320 0.091 0.000 0.301 445 A C -0.257 177.343 177.584 0.028 0.000 1.101 445 A CA 0.327 52.388 52.037 0.039 0.000 0.621 445 A CB 0.756 19.779 19.000 0.037 0.000 1.350 445 A HN 2.628 nan 8.150 nan 0.000 0.496 446 A N -0.446 122.386 122.820 0.020 0.000 4.642 446 A HA 0.836 5.211 4.320 0.091 0.000 0.248 446 A C -1.420 176.170 177.584 0.009 0.000 0.987 446 A CA 0.171 52.216 52.037 0.014 0.000 0.622 446 A CB 0.503 19.510 19.000 0.011 0.000 1.769 446 A HN 1.397 nan 8.150 nan 0.000 0.864 447 N N -0.731 117.972 118.700 0.006 0.000 2.352 447 N HA 0.396 5.190 4.740 0.091 0.000 0.291 447 N C -0.044 175.466 175.510 0.001 0.000 1.040 447 N CA -0.445 52.608 53.050 0.004 0.000 0.864 447 N CB 1.956 40.445 38.487 0.003 0.000 1.440 447 N HN 0.438 nan 8.380 nan 0.000 0.483 448 R N 1.768 122.268 120.500 0.000 0.000 2.092 448 R HA 0.036 4.431 4.340 0.091 0.000 0.231 448 R C 1.465 177.763 176.300 -0.003 0.000 1.119 448 R CA 1.314 57.412 56.100 -0.002 0.000 0.970 448 R CB -0.109 30.190 30.300 -0.003 0.000 0.864 448 R HN 0.691 nan 8.270 nan 0.000 0.440 449 E N -0.454 119.746 120.200 -0.001 0.000 2.021 449 E HA -0.122 4.283 4.350 0.091 0.000 0.200 449 E C 0.042 176.641 176.600 -0.001 0.000 1.015 449 E CA 1.372 57.771 56.400 -0.001 0.000 0.824 449 E CB -0.014 29.685 29.700 -0.000 0.000 0.762 449 E HN 0.083 nan 8.360 nan 0.000 0.454 450 T N -0.193 114.361 114.554 -0.000 0.000 3.291 450 T HA 0.162 4.567 4.350 0.091 0.000 0.344 450 T C -1.755 172.946 174.700 0.002 0.000 1.293 450 T CA -0.763 61.337 62.100 0.000 0.000 1.108 450 T CB 1.083 69.951 68.868 0.000 0.000 1.231 450 T HN -0.099 nan 8.240 nan 0.000 0.474 451 K N 2.196 122.598 120.400 0.002 0.000 2.490 451 K HA -0.067 4.308 4.320 0.091 0.000 0.264 451 K C 0.810 177.414 176.600 0.006 0.000 1.027 451 K CA 0.456 56.746 56.287 0.005 0.000 1.139 451 K CB 0.033 32.536 32.500 0.006 0.000 0.792 451 K HN 0.468 nan 8.250 nan 0.000 0.479 452 L N 0.811 122.038 121.223 0.008 0.000 3.141 452 L HA 0.345 4.739 4.340 0.091 0.000 0.267 452 L C 0.574 177.451 176.870 0.012 0.000 1.281 452 L CA -0.287 54.557 54.840 0.008 0.000 1.037 452 L CB 0.534 42.597 42.059 0.007 0.000 1.407 452 L HN 0.589 nan 8.230 nan 0.000 0.566 453 G N 2.194 111.002 108.800 0.014 0.000 2.459 453 G HA2 -0.116 3.898 3.960 0.091 0.000 0.290 453 G HA3 -0.116 3.898 3.960 0.091 0.000 0.290 453 G C 0.073 174.987 174.900 0.024 0.000 0.646 453 G CA 0.130 45.242 45.100 0.021 0.000 2.078 453 G HN 0.696 nan 8.290 nan 0.000 0.508 454 K N 1.278 121.692 120.400 0.024 0.000 2.354 454 K HA 0.663 5.038 4.320 0.091 0.000 0.257 454 K C -0.240 176.380 176.600 0.032 0.000 1.062 454 K CA -0.681 55.618 56.287 0.021 0.000 0.971 454 K CB 1.687 34.194 32.500 0.012 0.000 1.305 454 K HN 0.184 nan 8.250 nan 0.000 0.449 455 A N 2.532 125.377 122.820 0.042 0.000 2.330 455 A HA 0.873 5.248 4.320 0.091 0.000 0.327 455 A C -0.065 177.548 177.584 0.048 0.000 1.155 455 A CA -0.264 51.812 52.037 0.065 0.000 0.803 455 A CB 1.493 20.548 19.000 0.092 0.000 1.208 455 A HN 0.890 nan 8.150 nan 0.000 0.477 456 G N -0.092 108.743 108.800 0.058 0.000 2.494 456 G HA2 0.663 4.677 3.960 0.091 0.000 0.308 456 G HA3 0.663 4.677 3.960 0.091 0.000 0.308 456 G C -1.288 173.659 174.900 0.078 0.000 1.263 456 G CA 0.243 45.325 45.100 -0.031 0.000 0.840 456 G HN 1.864 nan 8.290 nan 0.000 0.479 457 Y N -3.042 117.314 120.300 0.093 0.000 2.764 457 Y HA 0.834 5.439 4.550 0.091 0.000 0.331 457 Y C -1.559 174.359 175.900 0.030 0.000 1.280 457 Y CA -1.624 56.536 58.100 0.101 0.000 1.065 457 Y CB 1.323 39.896 38.460 0.190 0.000 1.319 457 Y HN 1.120 nan 8.280 nan 0.000 0.453 458 V N 1.463 121.600 119.914 0.372 0.000 2.851 458 V HA 0.766 4.941 4.120 0.091 0.000 0.307 458 V C -0.880 175.274 176.094 0.100 0.000 1.129 458 V CA 0.344 62.749 62.300 0.176 0.000 0.932 458 V CB 1.996 33.855 31.823 0.060 0.000 1.024 458 V HN 1.413 nan 8.190 nan 0.000 0.426 459 T N 2.296 116.814 114.554 -0.060 0.000 2.930 459 T HA 0.371 4.776 4.350 0.091 0.000 0.290 459 T C 1.045 175.725 174.700 -0.034 0.000 1.052 459 T CA -0.119 61.894 62.100 -0.144 0.000 1.017 459 T CB 1.574 70.121 68.868 -0.535 0.000 1.137 459 T HN 0.816 nan 8.240 nan 0.000 0.511 460 N N 1.276 119.994 118.700 0.030 0.000 2.364 460 N HA -0.137 4.658 4.740 0.091 0.000 0.183 460 N C 1.274 176.781 175.510 -0.006 0.000 1.022 460 N CA 0.730 53.802 53.050 0.036 0.000 0.883 460 N CB -0.328 38.207 38.487 0.079 0.000 0.965 460 N HN 0.656 nan 8.380 nan 0.000 0.438 461 R N -0.691 119.789 120.500 -0.034 0.000 2.317 461 R HA 0.157 4.552 4.340 0.091 0.000 0.208 461 R C 0.942 177.224 176.300 -0.031 0.000 0.914 461 R CA 0.499 56.583 56.100 -0.028 0.000 1.060 461 R CB 0.245 30.529 30.300 -0.026 0.000 1.015 461 R HN 0.453 nan 8.270 nan 0.000 0.498 462 G N 1.240 110.016 108.800 -0.041 0.000 2.232 462 G HA2 -0.282 3.733 3.960 0.091 0.000 0.226 462 G HA3 -0.282 3.733 3.960 0.091 0.000 0.226 462 G C 0.131 175.016 174.900 -0.025 0.000 0.996 462 G CA -0.463 44.619 45.100 -0.030 0.000 0.626 462 G HN 0.221 nan 8.290 nan 0.000 0.509 463 R N 0.871 121.350 120.500 -0.034 0.000 2.570 463 R HA 0.413 4.807 4.340 0.091 0.000 0.277 463 R C 0.102 176.430 176.300 0.048 0.000 1.039 463 R CA 0.472 56.577 56.100 0.009 0.000 1.065 463 R CB 0.614 30.923 30.300 0.016 0.000 0.964 463 R HN 0.414 nan 8.270 nan 0.000 0.428 464 Q N 2.669 122.486 119.800 0.029 0.000 2.377 464 Q HA 0.367 4.761 4.340 0.091 0.000 0.279 464 Q C -1.810 174.055 176.000 -0.224 0.000 1.049 464 Q CA -0.698 55.062 55.803 -0.072 0.000 0.825 464 Q CB 2.541 31.243 28.738 -0.060 0.000 1.401 464 Q HN 0.636 nan 8.270 nan 0.000 0.404 465 K N 1.614 121.702 120.400 -0.520 0.000 2.557 465 K HA 0.564 4.938 4.320 0.091 0.000 0.257 465 K C -2.024 174.339 176.600 -0.394 0.000 0.933 465 K CA -0.505 55.508 56.287 -0.457 0.000 0.820 465 K CB 1.986 34.179 32.500 -0.510 0.000 1.330 465 K HN 0.346 nan 8.250 nan 0.000 0.432 466 V N 3.374 123.170 119.914 -0.196 0.000 2.588 466 V HA 0.575 4.750 4.120 0.091 0.000 0.304 466 V C -0.939 175.117 176.094 -0.064 0.000 1.042 466 V CA -0.894 61.337 62.300 -0.114 0.000 0.877 466 V CB 1.733 33.513 31.823 -0.071 0.000 0.996 466 V HN 0.554 nan 8.190 nan 0.000 0.425 467 V N 3.477 123.374 119.914 -0.029 0.000 2.531 467 V HA 0.545 4.719 4.120 0.091 0.000 0.301 467 V C 0.323 176.427 176.094 0.015 0.000 1.034 467 V CA -0.410 61.892 62.300 0.002 0.000 0.865 467 V CB 2.555 34.395 31.823 0.029 0.000 0.995 467 V HN 1.062 nan 8.190 nan 0.000 0.424 468 T N 4.510 119.072 114.554 0.013 0.000 2.909 468 T HA 0.726 5.130 4.350 0.091 0.000 0.289 468 T C -0.509 174.204 174.700 0.021 0.000 1.005 468 T CA -0.515 61.594 62.100 0.015 0.000 1.084 468 T CB 1.257 70.130 68.868 0.009 0.000 0.975 468 T HN 0.244 nan 8.240 nan 0.000 0.509 469 L N 1.431 122.666 121.223 0.021 0.000 2.183 469 L HA 0.843 5.238 4.340 0.091 0.000 0.253 469 L C 0.483 177.362 176.870 0.015 0.000 1.048 469 L CA -0.684 54.169 54.840 0.021 0.000 0.890 469 L CB 1.629 43.703 42.059 0.026 0.000 1.476 469 L HN 1.185 nan 8.230 nan 0.000 0.455 470 T N -3.239 111.322 114.554 0.013 0.000 2.932 470 T HA 0.330 4.734 4.350 0.091 0.000 0.318 470 T C -0.537 174.167 174.700 0.006 0.000 1.265 470 T CA -0.568 61.537 62.100 0.008 0.000 1.036 470 T CB 1.827 70.700 68.868 0.007 0.000 1.209 470 T HN 0.629 nan 8.240 nan 0.000 0.484 471 D N 0.806 121.208 120.400 0.004 0.000 2.890 471 D HA -0.172 4.522 4.640 0.091 0.000 0.226 471 D C -0.492 175.808 176.300 0.000 0.000 1.207 471 D CA 1.946 55.947 54.000 0.001 0.000 0.764 471 D CB -0.888 39.912 40.800 0.000 0.000 0.948 471 D HN 1.028 nan 8.370 nan 0.000 0.404 472 T N -0.216 114.338 114.554 0.000 0.000 3.012 472 T HA 0.449 4.854 4.350 0.091 0.000 0.330 472 T C 0.645 175.341 174.700 -0.006 0.000 1.321 472 T CA 0.193 62.292 62.100 -0.001 0.000 1.067 472 T CB 1.514 70.386 68.868 0.008 0.000 1.235 472 T HN 0.244 nan 8.240 nan 0.000 0.479 473 T N 2.623 117.166 114.554 -0.018 0.000 2.895 473 T HA 0.217 4.622 4.350 0.091 0.000 0.386 473 T C 1.266 175.951 174.700 -0.024 0.000 1.112 473 T CA -0.031 62.048 62.100 -0.034 0.000 1.070 473 T CB 0.078 68.903 68.868 -0.072 0.000 1.319 473 T HN 0.604 nan 8.240 nan 0.000 0.519 474 N N 0.447 119.124 118.700 -0.039 0.000 2.402 474 N HA -0.037 4.757 4.740 0.091 0.000 0.174 474 N C 2.215 177.721 175.510 -0.007 0.000 1.027 474 N CA 0.866 53.907 53.050 -0.015 0.000 0.891 474 N CB -0.041 38.438 38.487 -0.015 0.000 1.016 474 N HN 0.780 nan 8.380 nan 0.000 0.439 475 Q N 0.813 120.572 119.800 -0.068 0.000 2.187 475 Q HA 0.055 4.450 4.340 0.091 0.000 0.199 475 Q C 1.511 177.549 176.000 0.064 0.000 0.957 475 Q CA 0.797 56.571 55.803 -0.049 0.000 0.857 475 Q CB -0.149 28.326 28.738 -0.438 0.000 0.929 475 Q HN 0.089 nan 8.270 nan 0.000 0.453 476 K N 0.658 121.068 120.400 0.017 0.000 2.152 476 K HA -0.081 4.293 4.320 0.091 0.000 0.206 476 K C 1.897 178.546 176.600 0.081 0.000 1.048 476 K CA 1.755 58.082 56.287 0.066 0.000 0.933 476 K CB -0.005 32.511 32.500 0.026 0.000 0.721 476 K HN 0.246 nan 8.250 nan 0.000 0.447 477 T N 1.101 115.695 114.554 0.067 0.000 2.995 477 T HA -0.053 4.351 4.350 0.091 0.000 0.269 477 T C 1.407 176.171 174.700 0.107 0.000 1.091 477 T CA 0.831 62.977 62.100 0.077 0.000 1.128 477 T CB 0.051 68.954 68.868 0.059 0.000 0.891 477 T HN 0.192 nan 8.240 nan 0.000 0.492 478 E N 0.983 121.258 120.200 0.125 0.000 2.051 478 E HA 0.026 4.431 4.350 0.091 0.000 0.189 478 E C 2.173 178.866 176.600 0.156 0.000 0.979 478 E CA 0.580 57.069 56.400 0.149 0.000 0.803 478 E CB -0.312 29.495 29.700 0.178 0.000 0.761 478 E HN 0.290 nan 8.360 nan 0.000 0.451 479 L N 1.585 122.909 121.223 0.169 0.000 2.083 479 L HA -0.162 4.233 4.340 0.091 0.000 0.209 479 L C 2.357 179.314 176.870 0.145 0.000 1.083 479 L CA 1.466 56.394 54.840 0.146 0.000 0.752 479 L CB -1.071 41.078 42.059 0.151 0.000 0.899 479 L HN 0.108 nan 8.230 nan 0.000 0.433 480 Q N -0.680 119.204 119.800 0.139 0.000 2.050 480 Q HA -0.113 4.282 4.340 0.091 0.000 0.202 480 Q C 2.336 178.466 176.000 0.217 0.000 0.980 480 Q CA 1.746 57.651 55.803 0.169 0.000 0.840 480 Q CB -0.277 28.538 28.738 0.127 0.000 0.898 480 Q HN 0.488 nan 8.270 nan 0.000 0.424 481 A N 0.821 123.751 122.820 0.183 0.000 1.927 481 A HA -0.209 4.165 4.320 0.091 0.000 0.220 481 A C 2.139 179.847 177.584 0.207 0.000 1.185 481 A CA 1.579 53.741 52.037 0.208 0.000 0.639 481 A CB -0.776 18.336 19.000 0.186 0.000 0.820 481 A HN 0.394 nan 8.150 nan 0.000 0.451 482 I N -2.534 118.133 120.570 0.160 0.000 2.353 482 I HA -0.204 4.021 4.170 0.091 0.000 0.248 482 I C 2.438 178.610 176.117 0.091 0.000 1.119 482 I CA 1.425 62.783 61.300 0.097 0.000 1.417 482 I CB -0.407 37.636 38.000 0.073 0.000 1.078 482 I HN 0.497 nan 8.210 nan 0.000 0.421 483 Y N 1.270 121.580 120.300 0.017 0.000 2.114 483 Y HA -0.266 4.337 4.550 0.088 0.000 0.284 483 Y C 2.397 178.308 175.900 0.018 0.000 1.143 483 Y CA 1.487 59.587 58.100 0.000 0.000 1.135 483 Y CB -0.357 38.113 38.460 0.017 0.000 0.980 483 Y HN -0.002 nan 8.280 nan 0.000 0.499 484 L N 0.313 121.600 121.223 0.106 0.000 2.043 484 L HA -0.226 4.169 4.340 0.091 0.000 0.212 484 L C 2.452 179.360 176.870 0.063 0.000 1.075 484 L CA 2.250 57.157 54.840 0.113 0.000 0.752 484 L CB -1.875 40.362 42.059 0.297 0.000 0.891 484 L HN 0.422 nan 8.230 nan 0.000 0.432 485 A N -0.273 122.560 122.820 0.021 0.000 1.841 485 A HA -0.235 4.140 4.320 0.091 0.000 0.216 485 A C 2.338 179.594 177.584 -0.548 0.000 1.199 485 A CA 1.950 53.796 52.037 -0.318 0.000 0.621 485 A CB -0.916 17.954 19.000 -0.216 0.000 0.835 485 A HN 0.460 nan 8.150 nan 0.000 0.445 486 L N -0.068 120.928 121.223 -0.378 0.000 2.013 486 L HA -0.328 4.067 4.340 0.091 0.000 0.212 486 L C 3.100 179.750 176.870 -0.368 0.000 1.073 486 L CA 2.166 56.785 54.840 -0.368 0.000 0.753 486 L CB -0.690 41.216 42.059 -0.255 0.000 0.890 486 L HN 0.790 nan 8.230 nan 0.000 0.432 487 Q N -0.648 118.903 119.800 -0.416 0.000 2.167 487 Q HA -0.210 4.184 4.340 0.091 0.000 0.202 487 Q C 0.937 176.812 176.000 -0.207 0.000 0.970 487 Q CA 1.855 57.442 55.803 -0.359 0.000 0.855 487 Q CB -0.207 28.226 28.738 -0.509 0.000 0.911 487 Q HN 0.362 nan 8.270 nan 0.000 0.438 488 D N 1.119 121.419 120.400 -0.167 0.000 2.340 488 D HA 0.045 4.739 4.640 0.091 0.000 0.220 488 D C -0.057 176.206 176.300 -0.060 0.000 1.039 488 D CA 0.424 54.406 54.000 -0.030 0.000 0.866 488 D CB 0.500 41.413 40.800 0.187 0.000 0.913 488 D HN 0.383 nan 8.370 nan 0.000 0.523 489 S N -1.431 114.108 115.700 -0.267 0.000 2.718 489 S HA 0.728 5.253 4.470 0.091 0.000 0.300 489 S C 0.918 175.435 174.600 -0.138 0.000 1.117 489 S CA -0.690 57.349 58.200 -0.268 0.000 1.002 489 S CB 1.750 64.522 63.200 -0.712 0.000 1.092 489 S HN 0.029 nan 8.310 nan 0.000 0.542 490 G N -0.202 108.556 108.800 -0.070 0.000 2.479 490 G HA2 0.303 4.317 3.960 0.091 0.000 0.275 490 G HA3 0.303 4.317 3.960 0.091 0.000 0.275 490 G C 0.623 175.481 174.900 -0.070 0.000 1.421 490 G CA -0.654 44.421 45.100 -0.042 0.000 1.059 490 G HN 0.731 nan 8.290 nan 0.000 0.535 491 L N -0.615 120.583 121.223 -0.042 0.000 2.395 491 L HA 0.150 4.544 4.340 0.091 0.000 0.218 491 L C 0.816 177.660 176.870 -0.044 0.000 1.130 491 L CA 0.833 55.648 54.840 -0.042 0.000 0.826 491 L CB -0.201 41.847 42.059 -0.018 0.000 0.941 491 L HN 0.417 nan 8.230 nan 0.000 0.451 492 E N -0.043 120.133 120.200 -0.041 0.000 2.199 492 E HA 0.540 4.944 4.350 0.091 0.000 0.265 492 E C -1.240 175.331 176.600 -0.049 0.000 0.882 492 E CA -0.377 56.004 56.400 -0.031 0.000 0.759 492 E CB 2.626 32.322 29.700 -0.007 0.000 1.148 492 E HN -0.161 nan 8.360 nan 0.000 0.412 493 V N 1.621 121.496 119.914 -0.065 0.000 3.078 493 V HA 0.495 4.669 4.120 0.091 0.000 0.311 493 V C -0.606 175.474 176.094 -0.025 0.000 1.138 493 V CA -1.219 61.023 62.300 -0.098 0.000 1.007 493 V CB 2.336 33.992 31.823 -0.278 0.000 1.045 493 V HN 0.581 nan 8.190 nan 0.000 0.432 494 N N 1.934 120.640 118.700 0.010 0.000 2.354 494 N HA 0.713 5.507 4.740 0.091 0.000 0.287 494 N C -1.360 174.148 175.510 -0.002 0.000 1.016 494 N CA -0.257 52.830 53.050 0.062 0.000 0.871 494 N CB 2.529 41.069 38.487 0.090 0.000 1.299 494 N HN 0.652 nan 8.380 nan 0.000 0.482 495 I N 1.580 122.119 120.570 -0.053 0.000 2.447 495 I HA 0.332 4.557 4.170 0.091 0.000 0.287 495 I C -0.483 175.560 176.117 -0.123 0.000 1.023 495 I CA -0.965 60.286 61.300 -0.081 0.000 1.083 495 I CB 2.164 40.108 38.000 -0.093 0.000 1.245 495 I HN -0.015 nan 8.210 nan 0.000 0.434 496 V N 4.787 124.593 119.914 -0.181 0.000 2.347 496 V HA 0.470 4.645 4.120 0.091 0.000 0.280 496 V C 0.102 176.168 176.094 -0.046 0.000 1.021 496 V CA -0.293 61.892 62.300 -0.192 0.000 0.847 496 V CB 1.537 33.086 31.823 -0.457 0.000 0.990 496 V HN 0.802 nan 8.190 nan 0.000 0.444 497 T N 1.664 116.219 114.554 0.001 0.000 2.907 497 T HA 0.432 4.837 4.350 0.091 0.000 0.292 497 T C 0.157 174.901 174.700 0.073 0.000 1.043 497 T CA -0.482 61.662 62.100 0.075 0.000 1.003 497 T CB 1.738 70.676 68.868 0.116 0.000 1.084 497 T HN 0.830 nan 8.240 nan 0.000 0.483 498 D N 1.170 121.630 120.400 0.099 0.000 2.363 498 D HA 0.171 4.865 4.640 0.091 0.000 0.214 498 D C 0.493 177.013 176.300 0.366 0.000 1.093 498 D CA -0.183 53.862 54.000 0.076 0.000 0.837 498 D CB 0.111 40.924 40.800 0.022 0.000 0.948 498 D HN 0.267 nan 8.370 nan 0.000 0.507 499 S N 0.173 116.083 115.700 0.350 0.000 2.430 499 S HA 0.129 4.653 4.470 0.091 0.000 0.289 499 S C 0.953 175.706 174.600 0.256 0.000 1.143 499 S CA -0.461 57.920 58.200 0.301 0.000 1.067 499 S CB 1.167 64.507 63.200 0.233 0.000 0.964 499 S HN 0.108 nan 8.310 nan 0.000 0.485 500 Q N 3.224 123.118 119.800 0.157 0.000 2.172 500 Q HA -0.092 4.303 4.340 0.091 0.000 0.200 500 Q C 1.082 177.082 176.000 -0.000 0.000 0.964 500 Q CA 1.202 56.955 55.803 -0.083 0.000 0.855 500 Q CB -0.186 28.472 28.738 -0.133 0.000 0.918 500 Q HN 0.969 nan 8.270 nan 0.000 0.444 501 Y N 1.244 121.544 120.300 -0.001 0.000 2.070 501 Y HA -0.282 4.323 4.550 0.092 0.000 0.280 501 Y C 2.231 178.153 175.900 0.035 0.000 1.148 501 Y CA 1.595 59.705 58.100 0.016 0.000 1.125 501 Y CB -0.640 37.842 38.460 0.036 0.000 0.975 501 Y HN 0.065 nan 8.280 nan 0.000 0.492 502 A N 1.154 123.966 122.820 -0.012 0.000 1.865 502 A HA -0.189 4.186 4.320 0.091 0.000 0.217 502 A C 2.342 179.870 177.584 -0.093 0.000 1.191 502 A CA 1.786 53.780 52.037 -0.072 0.000 0.623 502 A CB -1.361 17.684 19.000 0.076 0.000 0.826 502 A HN 0.589 nan 8.150 nan 0.000 0.444 503 L N -0.029 121.170 121.223 -0.040 0.000 1.956 503 L HA -0.169 4.225 4.340 0.091 0.000 0.216 503 L C 2.428 179.231 176.870 -0.112 0.000 1.073 503 L CA 2.892 57.694 54.840 -0.063 0.000 0.762 503 L CB -1.867 40.144 42.059 -0.079 0.000 0.889 503 L HN 0.411 nan 8.230 nan 0.000 0.433 504 G N 0.575 109.285 108.800 -0.149 0.000 2.672 504 G HA2 -0.345 3.670 3.960 0.091 0.000 0.218 504 G HA3 -0.345 3.670 3.960 0.091 0.000 0.218 504 G C 1.703 176.549 174.900 -0.090 0.000 1.238 504 G CA 1.453 46.470 45.100 -0.139 0.000 0.791 504 G HN 0.503 nan 8.290 nan 0.000 0.606 505 I N 0.707 121.201 120.570 -0.126 0.000 2.103 505 I HA -0.299 3.925 4.170 0.091 0.000 0.241 505 I C 2.824 178.896 176.117 -0.075 0.000 1.036 505 I CA 1.619 62.886 61.300 -0.055 0.000 1.300 505 I CB -0.377 37.485 38.000 -0.229 0.000 1.010 505 I HN 0.226 nan 8.210 nan 0.000 0.406 506 I N -0.254 120.266 120.570 -0.083 0.000 2.202 506 I HA -0.267 3.958 4.170 0.091 0.000 0.242 506 I C 2.647 178.782 176.117 0.030 0.000 1.091 506 I CA 1.040 62.325 61.300 -0.026 0.000 1.368 506 I CB -0.616 37.361 38.000 -0.038 0.000 1.058 506 I HN 0.335 nan 8.210 nan 0.000 0.410 507 Q N 0.861 120.657 119.800 -0.007 0.000 2.217 507 Q HA -0.233 4.161 4.340 0.091 0.000 0.209 507 Q C 2.382 178.413 176.000 0.051 0.000 0.988 507 Q CA 1.923 57.728 55.803 0.003 0.000 0.878 507 Q CB -0.550 28.155 28.738 -0.056 0.000 0.909 507 Q HN 0.603 nan 8.270 nan 0.000 0.424 508 A N 0.386 123.246 122.820 0.067 0.000 2.019 508 A HA -0.181 4.194 4.320 0.091 0.000 0.219 508 A C 0.737 178.429 177.584 0.181 0.000 1.164 508 A CA 1.063 53.190 52.037 0.149 0.000 0.644 508 A CB -0.171 18.934 19.000 0.175 0.000 0.805 508 A HN 0.530 nan 8.150 nan 0.000 0.449 509 Q N -1.742 118.154 119.800 0.160 0.000 2.478 509 Q HA -0.120 4.275 4.340 0.091 0.000 0.286 509 Q C -2.289 173.782 176.000 0.117 0.000 1.299 509 Q CA 0.423 56.326 55.803 0.166 0.000 0.826 509 Q CB -1.928 26.823 28.738 0.023 0.000 1.199 509 Q HN 0.665 nan 8.270 nan 0.000 0.451 510 P HA 0.004 nan 4.420 nan 0.000 0.274 510 P C -0.087 177.317 177.300 0.175 0.000 1.237 510 P CA 0.373 63.550 63.100 0.129 0.000 0.793 510 P CB 0.640 32.368 31.700 0.046 0.000 0.977 511 D N -1.256 119.238 120.400 0.157 0.000 2.398 511 D HA 0.046 4.741 4.640 0.091 0.000 0.210 511 D C 0.440 176.775 176.300 0.058 0.000 1.094 511 D CA 0.172 54.279 54.000 0.178 0.000 0.839 511 D CB 0.183 41.134 40.800 0.251 0.000 0.963 511 D HN 0.354 nan 8.370 nan 0.000 0.506 512 Q N 0.210 120.041 119.800 0.052 0.000 2.527 512 Q HA 0.468 4.862 4.340 0.091 0.000 0.280 512 Q C -1.728 174.295 176.000 0.038 0.000 0.977 512 Q CA -0.722 55.091 55.803 0.018 0.000 0.837 512 Q CB 1.408 30.152 28.738 0.009 0.000 1.454 512 Q HN 0.130 nan 8.270 nan 0.000 0.387 513 S N 0.152 115.871 115.700 0.032 0.000 2.565 513 S HA 0.365 4.890 4.470 0.091 0.000 0.269 513 S C 0.399 175.046 174.600 0.079 0.000 1.153 513 S CA -0.186 58.069 58.200 0.092 0.000 0.835 513 S CB 1.349 64.590 63.200 0.069 0.000 1.122 513 S HN 0.673 nan 8.310 nan 0.000 0.462 514 E N 0.655 120.920 120.200 0.108 0.000 2.515 514 E HA 0.031 4.435 4.350 0.091 0.000 0.201 514 E C 0.653 177.290 176.600 0.061 0.000 1.071 514 E CA 0.407 56.849 56.400 0.070 0.000 0.880 514 E CB -0.311 29.429 29.700 0.067 0.000 0.828 514 E HN 0.441 nan 8.360 nan 0.000 0.540 515 S N 0.081 115.829 115.700 0.079 0.000 2.646 515 S HA 0.197 4.721 4.470 0.091 0.000 0.276 515 S C 0.680 175.284 174.600 0.006 0.000 1.222 515 S CA -0.466 57.769 58.200 0.057 0.000 1.014 515 S CB 1.788 65.047 63.200 0.099 0.000 0.991 515 S HN 0.074 nan 8.310 nan 0.000 0.533 516 E N 1.573 121.761 120.200 -0.019 0.000 2.166 516 E HA 0.131 4.536 4.350 0.091 0.000 0.192 516 E C 1.590 178.116 176.600 -0.122 0.000 0.967 516 E CA 0.507 56.870 56.400 -0.062 0.000 0.840 516 E CB -0.236 29.427 29.700 -0.062 0.000 0.795 516 E HN 0.562 nan 8.360 nan 0.000 0.470 517 L N -0.148 121.002 121.223 -0.121 0.000 2.044 517 L HA -0.047 4.347 4.340 0.091 0.000 0.205 517 L C 2.127 178.908 176.870 -0.148 0.000 1.075 517 L CA 1.268 55.985 54.840 -0.206 0.000 0.747 517 L CB -0.634 41.354 42.059 -0.119 0.000 0.903 517 L HN 0.053 nan 8.230 nan 0.000 0.435 518 V N 0.085 119.961 119.914 -0.064 0.000 2.392 518 V HA -0.299 3.875 4.120 0.091 0.000 0.249 518 V C 2.329 178.379 176.094 -0.075 0.000 1.059 518 V CA 1.834 64.096 62.300 -0.064 0.000 1.051 518 V CB -0.841 30.948 31.823 -0.057 0.000 0.658 518 V HN 0.485 nan 8.190 nan 0.000 0.455 519 N N -0.196 118.462 118.700 -0.071 0.000 2.135 519 N HA -0.117 4.677 4.740 0.091 0.000 0.186 519 N C 1.952 177.425 175.510 -0.062 0.000 1.027 519 N CA 1.213 54.225 53.050 -0.063 0.000 0.849 519 N CB -0.247 38.207 38.487 -0.056 0.000 1.002 519 N HN 0.558 nan 8.380 nan 0.000 0.425 520 Q N 0.180 119.917 119.800 -0.105 0.000 2.061 520 Q HA -0.085 4.309 4.340 0.091 0.000 0.204 520 Q C 2.045 178.112 176.000 0.111 0.000 0.984 520 Q CA 1.124 56.886 55.803 -0.069 0.000 0.846 520 Q CB -0.177 28.294 28.738 -0.445 0.000 0.902 520 Q HN 0.425 nan 8.270 nan 0.000 0.421 521 I N 0.605 121.213 120.570 0.064 0.000 2.208 521 I HA -0.302 3.923 4.170 0.091 0.000 0.245 521 I C 2.255 178.369 176.117 -0.006 0.000 1.097 521 I CA 1.169 62.550 61.300 0.135 0.000 1.363 521 I CB -0.305 37.729 38.000 0.057 0.000 1.051 521 I HN 0.231 nan 8.210 nan 0.000 0.413 522 I N 0.395 120.939 120.570 -0.044 0.000 2.286 522 I HA -0.277 3.948 4.170 0.091 0.000 0.248 522 I C 2.463 178.532 176.117 -0.080 0.000 1.115 522 I CA 1.367 62.618 61.300 -0.082 0.000 1.392 522 I CB -0.256 37.736 38.000 -0.014 0.000 1.065 522 I HN 0.209 nan 8.210 nan 0.000 0.418 523 E N 0.388 120.566 120.200 -0.037 0.000 2.152 523 E HA -0.248 4.157 4.350 0.091 0.000 0.192 523 E C 1.969 178.554 176.600 -0.026 0.000 0.983 523 E CA 0.852 57.233 56.400 -0.030 0.000 0.818 523 E CB 0.029 29.717 29.700 -0.019 0.000 0.758 523 E HN 0.269 nan 8.360 nan 0.000 0.467 524 Q N 0.078 119.869 119.800 -0.016 0.000 2.046 524 Q HA -0.031 4.363 4.340 0.091 0.000 0.200 524 Q C 1.921 177.852 176.000 -0.116 0.000 0.975 524 Q CA 1.350 57.121 55.803 -0.053 0.000 0.836 524 Q CB -0.229 28.484 28.738 -0.042 0.000 0.896 524 Q HN 0.354 nan 8.270 nan 0.000 0.428 525 L N -0.277 120.831 121.223 -0.191 0.000 2.131 525 L HA -0.134 4.261 4.340 0.091 0.000 0.210 525 L C 2.205 178.916 176.870 -0.265 0.000 1.092 525 L CA 0.820 55.459 54.840 -0.335 0.000 0.759 525 L CB -0.337 41.316 42.059 -0.676 0.000 0.903 525 L HN 0.299 nan 8.230 nan 0.000 0.435 526 I N -0.442 120.049 120.570 -0.132 0.000 2.353 526 I HA -0.234 3.990 4.170 0.091 0.000 0.248 526 I C 2.413 178.574 176.117 0.073 0.000 1.119 526 I CA 1.075 62.422 61.300 0.077 0.000 1.417 526 I CB -0.159 37.939 38.000 0.164 0.000 1.078 526 I HN 0.225 nan 8.210 nan 0.000 0.421 527 K N 0.745 121.154 120.400 0.015 0.000 2.057 527 K HA -0.073 4.301 4.320 0.091 0.000 0.206 527 K C 0.747 177.349 176.600 0.003 0.000 1.050 527 K CA 0.651 56.947 56.287 0.014 0.000 0.935 527 K CB -0.154 32.338 32.500 -0.013 0.000 0.715 527 K HN 0.147 nan 8.250 nan 0.000 0.439 528 K N 1.441 121.824 120.400 -0.028 0.000 2.397 528 K HA -0.090 4.285 4.320 0.091 0.000 0.265 528 K C 1.079 177.682 176.600 0.004 0.000 0.982 528 K CA 0.553 56.821 56.287 -0.032 0.000 0.931 528 K CB 0.708 33.168 32.500 -0.067 0.000 0.943 528 K HN 0.181 nan 8.250 nan 0.000 0.501 529 E N 1.067 121.268 120.200 0.002 0.000 2.099 529 E HA -0.006 4.398 4.350 0.091 0.000 0.191 529 E C -0.406 176.210 176.600 0.026 0.000 0.962 529 E CA 0.886 57.298 56.400 0.019 0.000 0.826 529 E CB 0.512 30.219 29.700 0.011 0.000 0.788 529 E HN 0.310 nan 8.360 nan 0.000 0.461 530 K N 0.144 120.551 120.400 0.012 0.000 2.468 530 K HA 0.495 4.869 4.320 0.091 0.000 0.252 530 K C -1.711 174.897 176.600 0.013 0.000 0.932 530 K CA -0.763 55.539 56.287 0.025 0.000 0.794 530 K CB 3.054 35.568 32.500 0.022 0.000 1.241 530 K HN -0.158 nan 8.250 nan 0.000 0.428 531 V N 3.189 123.128 119.914 0.041 0.000 2.577 531 V HA 0.194 4.368 4.120 0.091 0.000 0.294 531 V C -1.707 174.446 176.094 0.098 0.000 1.052 531 V CA -0.893 61.421 62.300 0.024 0.000 0.891 531 V CB 1.329 33.126 31.823 -0.043 0.000 1.017 531 V HN 0.704 nan 8.190 nan 0.000 0.436 532 Y N 5.918 126.196 120.300 -0.036 0.000 2.331 532 Y HA 0.790 5.393 4.550 0.089 0.000 0.338 532 Y C -0.942 174.940 175.900 -0.031 0.000 0.992 532 Y CA -1.144 56.944 58.100 -0.021 0.000 1.121 532 Y CB 1.738 40.186 38.460 -0.021 0.000 1.184 532 Y HN 0.583 nan 8.280 nan 0.000 0.469 533 L N 6.065 126.946 121.223 -0.569 0.000 2.333 533 L HA 0.878 5.272 4.340 0.091 0.000 0.280 533 L C -1.096 175.424 176.870 -0.582 0.000 1.004 533 L CA -0.616 53.979 54.840 -0.408 0.000 0.820 533 L CB 1.094 43.024 42.059 -0.216 0.000 1.247 533 L HN 0.742 nan 8.230 nan 0.000 0.416 534 A N 4.251 126.865 122.820 -0.344 0.000 2.365 534 A HA 0.671 5.046 4.320 0.091 0.000 0.318 534 A C -1.921 175.660 177.584 -0.005 0.000 1.091 534 A CA -0.536 51.380 52.037 -0.201 0.000 0.763 534 A CB 0.803 19.747 19.000 -0.094 0.000 1.248 534 A HN 0.788 nan 8.150 nan 0.000 0.442 535 W N 2.834 124.073 121.300 -0.103 0.000 2.551 535 W HA 0.592 5.305 4.660 0.090 0.000 0.330 535 W C -0.916 175.587 176.519 -0.027 0.000 1.063 535 W CA -0.536 56.776 57.345 -0.055 0.000 1.222 535 W CB 1.728 31.157 29.460 -0.051 0.000 1.349 535 W HN 0.905 nan 8.180 nan 0.000 0.536 536 V N 4.538 123.771 119.914 -1.134 0.000 2.760 536 V HA 0.659 4.834 4.120 0.091 0.000 0.309 536 V C -2.430 172.720 176.094 -1.573 0.000 1.077 536 V CA -2.862 58.743 62.300 -1.159 0.000 0.910 536 V CB 1.536 33.061 31.823 -0.496 0.000 1.008 536 V HN 0.581 nan 8.190 nan 0.000 0.424 537 P HA 0.051 nan 4.420 nan 0.000 0.264 537 P C 0.280 177.399 177.300 -0.301 0.000 1.179 537 P CA 0.512 63.217 63.100 -0.658 0.000 0.763 537 P CB 0.831 32.349 31.700 -0.303 0.000 0.806 538 A N 4.011 126.815 122.820 -0.028 0.000 3.052 538 A HA 0.020 4.394 4.320 0.091 0.000 0.266 538 A C 0.645 178.276 177.584 0.078 0.000 1.855 538 A CA 0.211 52.269 52.037 0.035 0.000 1.473 538 A CB -1.538 17.535 19.000 0.122 0.000 1.038 538 A HN 0.606 nan 8.150 nan 0.000 0.619 539 H N 0.000 119.054 119.070 -0.026 0.000 2.539 539 H HA 0.000 4.611 4.556 0.091 0.000 0.296 539 H CA 0.000 56.038 56.048 -0.017 0.000 1.023 539 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496