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 2zd1_1_B DATA FIRST_RESID 5 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KKDSTKWRKL VDFRELNKRT QDFWEVQLGI PHPAGLKKKK DATA SEQUENCE SVTVLDVGDA YFSVPLDEDF RKYTAFTIPS INNETPGIRY QYNVLPQGWK DATA SEQUENCE GSPAIFQSSM TKILEPFKKQ NPDIVIYQYM DDLYVGSDLE IGQHRTKIEE DATA SEQUENCE LRQHLLRWGL XXXXXXXXXX XXFLWMGYEL HPDKWTVQPI VLPEKDSWTV DATA SEQUENCE NDIQKLVGKL NWASQIYPGI KVRQLSKLLR GTKALTEVIP LTEEAELELA DATA SEQUENCE ENREILKEPV HGVYYDPSKD LIAEIQKQGQ GQWTYQIYQE PFKNLKTGKY DATA SEQUENCE ARMRGAHTND VKQLTEAVQK ITTESIVIWG KTPKFKLPIQ KETWETWWTE DATA SEQUENCE YWQATWIPEW EFVNTPPLVK LWYQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.150 176.117 0.055 0.000 1.063 5 I CA 0.000 61.336 61.300 0.060 0.000 1.566 5 I CB 0.000 38.030 38.000 0.050 0.000 1.214 6 E N 0.741 120.973 120.200 0.054 0.000 2.299 6 E HA 0.739 5.091 4.350 0.003 0.000 0.265 6 E C -0.538 176.096 176.600 0.056 0.000 0.911 6 E CA -0.251 56.178 56.400 0.049 0.000 0.789 6 E CB 1.611 31.333 29.700 0.037 0.000 1.246 6 E HN 0.151 nan 8.360 nan 0.000 0.427 7 T N -0.551 114.036 114.554 0.056 0.000 2.823 7 T HA 0.509 4.861 4.350 0.003 0.000 0.279 7 T C -0.444 174.290 174.700 0.057 0.000 0.998 7 T CA -0.869 61.270 62.100 0.065 0.000 0.994 7 T CB 1.170 70.082 68.868 0.073 0.000 0.960 7 T HN 0.369 nan 8.240 nan 0.000 0.448 8 V N 4.928 124.880 119.914 0.063 0.000 2.455 8 V HA 0.470 4.591 4.120 0.003 0.000 0.273 8 V C -2.175 173.970 176.094 0.086 0.000 1.045 8 V CA -2.065 60.267 62.300 0.053 0.000 0.976 8 V CB 0.231 32.081 31.823 0.045 0.000 0.993 8 V HN 0.907 nan 8.190 nan 0.000 0.475 9 P HA 0.167 nan 4.420 nan 0.000 0.266 9 P C -0.811 176.570 177.300 0.136 0.000 1.195 9 P CA 0.205 63.357 63.100 0.086 0.000 0.768 9 P CB 1.129 32.865 31.700 0.060 0.000 0.838 10 V N 3.372 123.360 119.914 0.123 0.000 2.962 10 V HA 0.538 4.660 4.120 0.003 0.000 0.313 10 V C 0.155 176.299 176.094 0.084 0.000 1.099 10 V CA -0.650 61.708 62.300 0.098 0.000 0.971 10 V CB 2.401 34.016 31.823 -0.345 0.000 1.028 10 V HN 0.554 nan 8.190 nan 0.000 0.430 11 K N 2.227 122.710 120.400 0.139 0.000 2.495 11 K HA 0.693 5.015 4.320 0.003 0.000 0.268 11 K C -1.498 175.271 176.600 0.282 0.000 1.008 11 K CA -0.909 55.544 56.287 0.277 0.000 0.882 11 K CB 2.697 35.321 32.500 0.207 0.000 1.443 11 K HN 0.375 nan 8.250 nan 0.000 0.447 12 L N 1.422 122.798 121.223 0.256 0.000 2.454 12 L HA 0.357 4.698 4.340 0.003 0.000 0.256 12 L C 0.271 177.202 176.870 0.102 0.000 1.136 12 L CA -0.701 54.217 54.840 0.130 0.000 0.804 12 L CB 0.558 42.549 42.059 -0.114 0.000 1.181 12 L HN 0.377 nan 8.230 nan 0.000 0.469 13 K N 1.144 121.591 120.400 0.079 0.000 2.355 13 K HA 0.172 4.493 4.320 0.003 0.000 0.270 13 K C -2.286 174.348 176.600 0.055 0.000 1.003 13 K CA -1.466 54.865 56.287 0.075 0.000 0.957 13 K CB 0.056 32.596 32.500 0.068 0.000 0.939 13 K HN 0.238 nan 8.250 nan 0.000 0.482 14 P HA -0.085 nan 4.420 nan 0.000 0.262 14 P C 0.346 177.671 177.300 0.042 0.000 1.182 14 P CA 0.953 64.083 63.100 0.051 0.000 0.761 14 P CB 0.424 32.153 31.700 0.048 0.000 0.795 15 G N 2.104 110.929 108.800 0.042 0.000 2.143 15 G HA2 -0.271 3.691 3.960 0.003 0.000 0.248 15 G HA3 -0.271 3.691 3.960 0.003 0.000 0.248 15 G C -0.032 174.888 174.900 0.035 0.000 0.991 15 G CA -0.199 44.924 45.100 0.039 0.000 0.689 15 G HN 0.474 nan 8.290 nan 0.000 0.522 16 M N 0.078 119.693 119.600 0.026 0.000 2.395 16 M HA 0.457 4.939 4.480 0.003 0.000 0.307 16 M C -0.816 175.469 176.300 -0.024 0.000 1.091 16 M CA -0.797 54.508 55.300 0.009 0.000 0.919 16 M CB 2.006 34.608 32.600 0.003 0.000 1.662 16 M HN 0.133 nan 8.290 nan 0.000 0.440 17 D N 1.157 121.553 120.400 -0.007 0.000 2.385 17 D HA 0.584 5.225 4.640 0.003 0.000 0.254 17 D C 0.180 176.404 176.300 -0.126 0.000 1.053 17 D CA 0.058 54.054 54.000 -0.006 0.000 0.992 17 D CB 1.574 42.467 40.800 0.154 0.000 1.145 17 D HN 0.686 nan 8.370 nan 0.000 0.523 18 G N 0.532 109.147 108.800 -0.309 0.000 2.732 18 G HA2 0.240 4.202 3.960 0.003 0.000 0.244 18 G HA3 0.240 4.202 3.960 0.003 0.000 0.244 18 G C -2.154 172.751 174.900 0.009 0.000 1.226 18 G CA -0.721 44.067 45.100 -0.520 0.000 0.860 18 G HN 0.466 nan 8.290 nan 0.000 0.583 19 P HA 0.256 nan 4.420 nan 0.000 0.275 19 P C -0.901 176.554 177.300 0.257 0.000 1.228 19 P CA -0.139 63.051 63.100 0.150 0.000 0.786 19 P CB 1.164 32.945 31.700 0.135 0.000 0.927 20 K N 1.637 122.151 120.400 0.189 0.000 3.029 20 K HA 0.319 4.640 4.320 0.003 0.000 0.169 20 K C -0.922 175.745 176.600 0.111 0.000 1.090 20 K CA -0.473 55.906 56.287 0.153 0.000 0.883 20 K CB 1.111 33.682 32.500 0.119 0.000 1.080 20 K HN 0.209 nan 8.250 nan 0.000 0.613 21 V N 1.884 121.865 119.914 0.112 0.000 2.407 21 V HA 0.221 4.342 4.120 0.003 0.000 0.278 21 V C 0.358 176.497 176.094 0.075 0.000 1.037 21 V CA -0.909 61.453 62.300 0.104 0.000 0.900 21 V CB 1.168 33.063 31.823 0.121 0.000 0.983 21 V HN 0.398 nan 8.190 nan 0.000 0.459 22 K N 2.816 123.266 120.400 0.084 0.000 2.436 22 K HA 0.145 4.467 4.320 0.003 0.000 0.275 22 K C 0.081 176.701 176.600 0.033 0.000 0.999 22 K CA -0.210 56.113 56.287 0.060 0.000 0.980 22 K CB 0.432 32.979 32.500 0.078 0.000 0.919 22 K HN 0.638 nan 8.250 nan 0.000 0.484 23 Q N 3.480 123.258 119.800 -0.037 0.000 2.293 23 Q HA 0.067 4.408 4.340 0.003 0.000 0.263 23 Q C -1.330 174.630 176.000 -0.066 0.000 1.002 23 Q CA -0.302 55.401 55.803 -0.166 0.000 0.910 23 Q CB 0.366 29.012 28.738 -0.153 0.000 1.185 23 Q HN 0.421 nan 8.270 nan 0.000 0.401 24 W N 3.610 124.882 121.300 -0.046 0.000 2.215 24 W HA 0.641 5.303 4.660 0.003 0.000 0.342 24 W C -2.338 174.114 176.519 -0.112 0.000 1.237 24 W CA -2.773 54.519 57.345 -0.089 0.000 1.283 24 W CB -0.849 28.531 29.460 -0.133 0.000 1.131 24 W HN 0.551 nan 8.180 nan 0.000 0.606 25 P HA 0.041 nan 4.420 nan 0.000 0.262 25 P C -0.630 176.719 177.300 0.081 0.000 1.182 25 P CA 0.435 63.574 63.100 0.065 0.000 0.761 25 P CB 0.318 32.013 31.700 -0.009 0.000 0.795 26 L N 2.550 123.775 121.223 0.003 0.000 2.346 26 L HA 0.426 4.768 4.340 0.003 0.000 0.274 26 L C 0.937 177.776 176.870 -0.052 0.000 1.007 26 L CA -0.849 53.980 54.840 -0.018 0.000 0.818 26 L CB 1.931 43.959 42.059 -0.050 0.000 1.284 26 L HN 0.344 nan 8.230 nan 0.000 0.424 27 T N -2.535 111.982 114.554 -0.063 0.000 2.856 27 T HA 0.020 4.371 4.350 0.003 0.000 0.306 27 T C 0.979 175.633 174.700 -0.077 0.000 1.062 27 T CA -0.387 61.676 62.100 -0.061 0.000 1.083 27 T CB 1.316 70.158 68.868 -0.044 0.000 0.984 27 T HN 0.800 nan 8.240 nan 0.000 0.542 28 E N 1.016 121.182 120.200 -0.057 0.000 2.097 28 E HA -0.303 4.048 4.350 0.003 0.000 0.196 28 E C 1.983 178.527 176.600 -0.094 0.000 1.000 28 E CA 1.938 58.302 56.400 -0.061 0.000 0.804 28 E CB -0.166 29.514 29.700 -0.033 0.000 0.740 28 E HN 0.932 nan 8.360 nan 0.000 0.454 29 E N 0.562 120.709 120.200 -0.088 0.000 2.077 29 E HA -0.235 4.117 4.350 0.003 0.000 0.193 29 E C 2.012 178.372 176.600 -0.399 0.000 0.989 29 E CA 1.191 57.511 56.400 -0.133 0.000 0.800 29 E CB -0.207 29.501 29.700 0.013 0.000 0.746 29 E HN 0.190 nan 8.360 nan 0.000 0.452 30 K N 0.455 120.608 120.400 -0.412 0.000 2.103 30 K HA 0.012 4.333 4.320 0.003 0.000 0.204 30 K C 2.237 178.622 176.600 -0.360 0.000 1.052 30 K CA 1.084 57.037 56.287 -0.557 0.000 0.945 30 K CB -0.070 32.232 32.500 -0.330 0.000 0.722 30 K HN 0.192 nan 8.250 nan 0.000 0.443 31 I N 1.490 121.928 120.570 -0.219 0.000 2.179 31 I HA -0.300 3.871 4.170 0.003 0.000 0.242 31 I C 2.105 178.133 176.117 -0.149 0.000 1.088 31 I CA 1.413 62.625 61.300 -0.148 0.000 1.357 31 I CB -0.186 37.756 38.000 -0.098 0.000 1.051 31 I HN 0.116 nan 8.210 nan 0.000 0.409 32 K N 0.904 121.210 120.400 -0.157 0.000 2.063 32 K HA -0.169 4.153 4.320 0.003 0.000 0.208 32 K C 2.269 178.777 176.600 -0.153 0.000 1.048 32 K CA 1.544 57.758 56.287 -0.121 0.000 0.928 32 K CB -0.302 32.144 32.500 -0.089 0.000 0.713 32 K HN 0.321 nan 8.250 nan 0.000 0.442 33 A N 1.535 124.175 122.820 -0.299 0.000 1.877 33 A HA -0.151 4.171 4.320 0.003 0.000 0.216 33 A C 2.142 179.619 177.584 -0.179 0.000 1.186 33 A CA 1.343 53.183 52.037 -0.328 0.000 0.620 33 A CB -0.685 17.790 19.000 -0.874 0.000 0.822 33 A HN 0.167 nan 8.150 nan 0.000 0.443 34 L N -0.604 120.508 121.223 -0.186 0.000 2.141 34 L HA -0.139 4.202 4.340 0.003 0.000 0.209 34 L C 2.491 179.337 176.870 -0.040 0.000 1.094 34 L CA 0.796 55.578 54.840 -0.096 0.000 0.763 34 L CB -0.475 41.536 42.059 -0.079 0.000 0.908 34 L HN 0.247 nan 8.230 nan 0.000 0.437 35 V N 0.046 119.938 119.914 -0.037 0.000 2.358 35 V HA -0.296 3.825 4.120 0.003 0.000 0.246 35 V C 2.501 178.590 176.094 -0.008 0.000 1.047 35 V CA 2.075 64.375 62.300 0.000 0.000 1.035 35 V CB -0.400 31.417 31.823 -0.010 0.000 0.658 35 V HN 0.536 nan 8.190 nan 0.000 0.452 36 E N 0.132 120.318 120.200 -0.023 0.000 2.051 36 E HA -0.217 4.135 4.350 0.003 0.000 0.192 36 E C 2.219 178.805 176.600 -0.022 0.000 0.991 36 E CA 1.716 58.109 56.400 -0.013 0.000 0.799 36 E CB -0.177 29.523 29.700 0.001 0.000 0.748 36 E HN 0.601 nan 8.360 nan 0.000 0.449 37 I N 0.630 121.182 120.570 -0.030 0.000 2.179 37 I HA -0.328 3.844 4.170 0.003 0.000 0.242 37 I C 2.576 178.629 176.117 -0.106 0.000 1.088 37 I CA 0.883 62.155 61.300 -0.047 0.000 1.357 37 I CB -0.263 37.716 38.000 -0.034 0.000 1.051 37 I HN 0.357 nan 8.210 nan 0.000 0.409 38 C N 0.177 119.400 119.300 -0.129 0.000 2.435 38 C HA -0.125 4.337 4.460 0.003 0.000 0.279 38 C C 2.984 177.834 174.990 -0.233 0.000 1.321 38 C CA 1.242 60.094 59.018 -0.277 0.000 1.752 38 C CB -1.143 26.379 27.740 -0.364 0.000 1.959 38 C HN 0.513 nan 8.230 nan 0.000 0.500 39 T N 1.061 115.565 114.554 -0.083 0.000 2.720 39 T HA -0.145 4.207 4.350 0.003 0.000 0.268 39 T C 1.674 176.336 174.700 -0.064 0.000 1.037 39 T CA 1.506 63.587 62.100 -0.031 0.000 1.144 39 T CB -0.230 68.637 68.868 -0.002 0.000 0.864 39 T HN 0.533 nan 8.240 nan 0.000 0.444 40 E N 1.002 121.157 120.200 -0.076 0.000 2.107 40 E HA 0.090 4.442 4.350 0.003 0.000 0.191 40 E C 2.134 178.662 176.600 -0.119 0.000 0.982 40 E CA 0.744 57.099 56.400 -0.075 0.000 0.809 40 E CB -0.480 29.186 29.700 -0.057 0.000 0.756 40 E HN 0.522 nan 8.360 nan 0.000 0.459 41 M N 0.419 119.909 119.600 -0.183 0.000 2.159 41 M HA -0.153 4.329 4.480 0.003 0.000 0.263 41 M C 2.295 178.453 176.300 -0.235 0.000 1.063 41 M CA 1.375 56.520 55.300 -0.260 0.000 1.110 41 M CB -0.170 32.211 32.600 -0.366 0.000 1.374 41 M HN 0.107 nan 8.290 nan 0.000 0.411 42 E N 0.902 120.976 120.200 -0.209 0.000 2.072 42 E HA -0.193 4.158 4.350 0.003 0.000 0.191 42 E C 1.789 178.345 176.600 -0.074 0.000 0.985 42 E CA 1.184 57.508 56.400 -0.127 0.000 0.801 42 E CB 0.144 29.827 29.700 -0.028 0.000 0.750 42 E HN 0.435 nan 8.360 nan 0.000 0.452 43 K N 0.339 120.700 120.400 -0.064 0.000 2.097 43 K HA -0.143 4.179 4.320 0.003 0.000 0.206 43 K C 1.724 178.296 176.600 -0.046 0.000 1.049 43 K CA 1.509 57.770 56.287 -0.043 0.000 0.933 43 K CB -0.023 32.455 32.500 -0.035 0.000 0.717 43 K HN 0.221 nan 8.250 nan 0.000 0.442 44 E N -0.316 119.844 120.200 -0.068 0.000 2.494 44 E HA 0.022 4.374 4.350 0.003 0.000 0.193 44 E C 0.736 177.301 176.600 -0.057 0.000 1.074 44 E CA 0.254 56.619 56.400 -0.059 0.000 0.867 44 E CB 0.291 29.947 29.700 -0.074 0.000 0.924 44 E HN 0.473 nan 8.360 nan 0.000 0.502 45 G N 2.051 110.812 108.800 -0.064 0.000 2.155 45 G HA2 -0.377 3.585 3.960 0.003 0.000 0.257 45 G HA3 -0.377 3.585 3.960 0.003 0.000 0.257 45 G C 0.888 175.748 174.900 -0.066 0.000 0.983 45 G CA 0.844 45.915 45.100 -0.050 0.000 0.676 45 G HN 0.299 nan 8.290 nan 0.000 0.528 46 K N -0.383 119.936 120.400 -0.135 0.000 2.167 46 K HA 0.262 4.584 4.320 0.003 0.000 0.203 46 K C 1.464 177.945 176.600 -0.199 0.000 1.052 46 K CA 1.389 57.571 56.287 -0.174 0.000 0.956 46 K CB 0.123 32.389 32.500 -0.389 0.000 0.735 46 K HN 0.811 nan 8.250 nan 0.000 0.451 47 I N -3.419 116.995 120.570 -0.260 0.000 3.042 47 I HA 0.442 4.613 4.170 0.003 0.000 0.310 47 I C -0.982 175.071 176.117 -0.107 0.000 1.117 47 I CA -0.977 60.157 61.300 -0.276 0.000 1.003 47 I CB 2.561 40.256 38.000 -0.509 0.000 1.228 47 I HN -0.324 nan 8.210 nan 0.000 0.443 48 S N 1.797 117.490 115.700 -0.013 0.000 2.549 48 S HA 0.459 4.930 4.470 0.003 0.000 0.280 48 S C -0.842 173.799 174.600 0.067 0.000 1.109 48 S CA -0.944 57.280 58.200 0.040 0.000 0.905 48 S CB 1.912 65.107 63.200 -0.008 0.000 1.081 48 S HN 0.462 nan 8.310 nan 0.000 0.477 49 K N 2.176 122.572 120.400 -0.007 0.000 2.319 49 K HA 0.347 4.669 4.320 0.003 0.000 0.265 49 K C 0.099 176.599 176.600 -0.167 0.000 1.000 49 K CA 0.064 56.224 56.287 -0.210 0.000 0.943 49 K CB 0.196 32.551 32.500 -0.241 0.000 0.950 49 K HN 0.694 nan 8.250 nan 0.000 0.485 50 I N -2.583 117.858 120.570 -0.215 0.000 3.002 50 I HA 0.587 4.759 4.170 0.003 0.000 0.310 50 I C 0.359 176.384 176.117 -0.152 0.000 1.087 50 I CA -1.163 60.045 61.300 -0.154 0.000 1.017 50 I CB 2.070 39.987 38.000 -0.139 0.000 1.226 50 I HN 0.463 nan 8.210 nan 0.000 0.443 51 G N 1.460 110.191 108.800 -0.116 0.000 2.535 51 G HA2 0.524 4.485 3.960 0.003 0.000 0.303 51 G HA3 0.524 4.485 3.960 0.003 0.000 0.303 51 G C -1.752 173.084 174.900 -0.106 0.000 1.237 51 G CA -1.323 43.712 45.100 -0.107 0.000 0.986 51 G HN 0.617 nan 8.290 nan 0.000 0.494 52 P HA -0.055 nan 4.420 nan 0.000 0.234 52 P C 1.050 178.293 177.300 -0.095 0.000 1.167 52 P CA 0.775 63.818 63.100 -0.095 0.000 0.763 52 P CB 0.300 31.950 31.700 -0.082 0.000 0.835 53 E N -0.219 119.929 120.200 -0.087 0.000 2.511 53 E HA -0.064 4.288 4.350 0.003 0.000 0.196 53 E C 0.067 176.605 176.600 -0.104 0.000 1.066 53 E CA 0.142 56.491 56.400 -0.085 0.000 0.871 53 E CB -0.649 29.012 29.700 -0.064 0.000 0.863 53 E HN 0.099 nan 8.360 nan 0.000 0.520 54 N N 2.066 120.697 118.700 -0.114 0.000 2.511 54 N HA 0.145 4.886 4.740 0.003 0.000 0.249 54 N C -1.991 173.402 175.510 -0.195 0.000 0.971 54 N CA -1.995 50.981 53.050 -0.123 0.000 0.938 54 N CB 1.726 40.179 38.487 -0.056 0.000 1.131 54 N HN -0.098 nan 8.380 nan 0.000 0.505 55 P HA 0.114 nan 4.420 nan 0.000 0.262 55 P C -0.437 176.648 177.300 -0.359 0.000 1.304 55 P CA -0.003 62.880 63.100 -0.362 0.000 0.859 55 P CB 0.072 31.537 31.700 -0.392 0.000 1.310 56 Y N 0.956 121.261 120.300 0.007 0.000 2.298 56 Y HA 0.420 4.972 4.550 0.002 0.000 0.329 56 Y C 1.019 176.938 175.900 0.031 0.000 1.293 56 Y CA -0.151 57.972 58.100 0.039 0.000 1.388 56 Y CB 0.496 39.002 38.460 0.076 0.000 1.309 56 Y HN -0.082 nan 8.280 nan 0.000 0.544 57 N N -0.952 117.889 118.700 0.235 0.000 2.636 57 N HA 0.402 5.144 4.740 0.003 0.000 0.261 57 N C -1.929 173.664 175.510 0.139 0.000 1.195 57 N CA -0.463 52.677 53.050 0.150 0.000 0.902 57 N CB 1.853 40.384 38.487 0.074 0.000 1.627 57 N HN 0.540 nan 8.380 nan 0.000 0.491 58 T N 2.429 117.050 114.554 0.112 0.000 2.916 58 T HA 0.572 4.923 4.350 0.003 0.000 0.298 58 T C -2.810 171.846 174.700 -0.072 0.000 1.031 58 T CA -0.941 61.180 62.100 0.035 0.000 0.993 58 T CB 2.031 70.903 68.868 0.007 0.000 1.045 58 T HN 0.293 nan 8.240 nan 0.000 0.454 59 P HA 0.387 nan 4.420 nan 0.000 0.272 59 P C -1.054 176.006 177.300 -0.399 0.000 1.223 59 P CA -0.430 62.410 63.100 -0.433 0.000 0.784 59 P CB 0.687 31.895 31.700 -0.820 0.000 0.923 60 V N 3.981 123.650 119.914 -0.408 0.000 3.007 60 V HA 0.846 4.968 4.120 0.003 0.000 0.311 60 V C -1.063 174.974 176.094 -0.095 0.000 1.120 60 V CA -0.610 61.548 62.300 -0.235 0.000 0.980 60 V CB 1.236 32.916 31.823 -0.239 0.000 1.033 60 V HN 0.628 nan 8.190 nan 0.000 0.429 61 F N 3.152 122.967 119.950 -0.225 0.000 3.215 61 F HA 1.005 5.534 4.527 0.003 0.000 0.326 61 F C -0.678 175.093 175.800 -0.048 0.000 1.189 61 F CA -0.616 57.311 58.000 -0.121 0.000 0.905 61 F CB 1.231 40.249 39.000 0.031 0.000 1.485 61 F HN 0.765 nan 8.300 nan 0.000 0.508 62 A N 0.846 123.651 122.820 -0.026 0.000 2.498 62 A HA 0.893 5.214 4.320 0.003 0.000 0.298 62 A C -1.101 176.629 177.584 0.243 0.000 1.075 62 A CA -0.575 51.441 52.037 -0.035 0.000 0.714 62 A CB 1.632 20.563 19.000 -0.115 0.000 1.299 62 A HN 1.285 nan 8.150 nan 0.000 0.407 63 I N -2.315 118.440 120.570 0.309 0.000 3.343 63 I HA 0.719 4.890 4.170 0.003 0.000 0.315 63 I C -1.125 175.096 176.117 0.174 0.000 1.153 63 I CA -1.166 60.319 61.300 0.308 0.000 0.952 63 I CB 2.377 40.470 38.000 0.155 0.000 1.287 63 I HN 0.443 nan 8.210 nan 0.000 0.472 64 K N 2.222 122.586 120.400 -0.061 0.000 2.579 64 K HA 0.440 4.761 4.320 0.003 0.000 0.250 64 K C -0.999 175.457 176.600 -0.239 0.000 0.952 64 K CA -0.803 55.336 56.287 -0.247 0.000 0.857 64 K CB 2.328 34.571 32.500 -0.429 0.000 1.123 64 K HN 0.500 nan 8.250 nan 0.000 0.433 65 K N 1.387 121.593 120.400 -0.323 0.000 2.229 65 K HA 0.048 4.369 4.320 0.003 0.000 0.250 65 K C 0.178 176.557 176.600 -0.368 0.000 1.016 65 K CA -0.053 55.996 56.287 -0.396 0.000 0.866 65 K CB 0.378 32.526 32.500 -0.587 0.000 1.028 65 K HN 0.189 nan 8.250 nan 0.000 0.514 66 K N 3.191 123.354 120.400 -0.396 0.000 2.366 66 K HA -0.127 4.194 4.320 0.003 0.000 0.272 66 K C -0.861 175.572 176.600 -0.279 0.000 1.151 66 K CA 0.949 57.034 56.287 -0.337 0.000 1.173 66 K CB -0.641 31.617 32.500 -0.403 0.000 0.853 66 K HN 0.593 nan 8.250 nan 0.000 0.473 67 D N 0.951 121.231 120.400 -0.200 0.000 2.956 67 D HA -0.169 4.473 4.640 0.003 0.000 0.240 67 D C -0.657 175.579 176.300 -0.106 0.000 1.141 67 D CA 0.906 54.828 54.000 -0.129 0.000 0.820 67 D CB -0.637 40.116 40.800 -0.078 0.000 0.988 67 D HN 0.434 nan 8.370 nan 0.000 0.417 68 S N -0.745 114.868 115.700 -0.145 0.000 2.546 68 S HA 0.504 4.975 4.470 0.003 0.000 0.272 68 S C 0.958 175.476 174.600 -0.137 0.000 1.140 68 S CA 0.091 58.241 58.200 -0.085 0.000 0.920 68 S CB 1.764 64.811 63.200 -0.255 0.000 1.083 68 S HN 0.213 nan 8.310 nan 0.000 0.476 69 T N 0.819 115.327 114.554 -0.077 0.000 3.081 69 T HA 0.274 4.626 4.350 0.003 0.000 0.250 69 T C 0.502 175.090 174.700 -0.188 0.000 1.100 69 T CA 0.115 62.124 62.100 -0.152 0.000 1.038 69 T CB -0.195 68.624 68.868 -0.082 0.000 0.962 69 T HN 0.483 nan 8.240 nan 0.000 0.516 70 K N 0.714 121.070 120.400 -0.073 0.000 2.227 70 K HA 0.324 4.645 4.320 0.003 0.000 0.280 70 K C -1.038 175.591 176.600 0.047 0.000 1.041 70 K CA -0.994 55.319 56.287 0.042 0.000 0.905 70 K CB 0.582 33.215 32.500 0.222 0.000 1.068 70 K HN 0.322 nan 8.250 nan 0.000 0.470 71 W N 3.449 124.815 121.300 0.110 0.000 2.181 71 W HA 0.124 4.785 4.660 0.002 0.000 0.335 71 W C 0.713 177.323 176.519 0.152 0.000 1.310 71 W CA -0.192 57.207 57.345 0.090 0.000 1.226 71 W CB 0.508 29.999 29.460 0.052 0.000 1.155 71 W HN 0.394 nan 8.180 nan 0.000 0.565 72 R N 3.451 124.199 120.500 0.414 0.000 2.534 72 R HA 0.268 4.610 4.340 0.003 0.000 0.301 72 R C -0.528 175.866 176.300 0.156 0.000 0.961 72 R CA -0.954 55.340 56.100 0.322 0.000 0.871 72 R CB 1.197 31.744 30.300 0.413 0.000 1.170 72 R HN 0.498 nan 8.270 nan 0.000 0.446 73 K N 3.909 124.352 120.400 0.071 0.000 2.350 73 K HA 0.158 4.479 4.320 0.003 0.000 0.279 73 K C -1.285 175.249 176.600 -0.111 0.000 1.027 73 K CA -0.361 55.894 56.287 -0.053 0.000 0.969 73 K CB 0.666 33.129 32.500 -0.062 0.000 0.954 73 K HN 0.333 nan 8.250 nan 0.000 0.474 74 L N 5.327 126.378 121.223 -0.287 0.000 2.441 74 L HA 0.322 4.664 4.340 0.003 0.000 0.270 74 L C -1.580 175.088 176.870 -0.337 0.000 0.973 74 L CA -0.583 54.057 54.840 -0.333 0.000 0.842 74 L CB 1.802 43.508 42.059 -0.590 0.000 1.239 74 L HN 0.388 nan 8.230 nan 0.000 0.406 75 V N 3.665 123.432 119.914 -0.246 0.000 2.439 75 V HA 0.317 4.439 4.120 0.003 0.000 0.282 75 V C -0.210 175.725 176.094 -0.265 0.000 1.039 75 V CA -0.567 61.476 62.300 -0.428 0.000 0.913 75 V CB 1.507 32.791 31.823 -0.898 0.000 0.983 75 V HN 0.755 nan 8.190 nan 0.000 0.460 76 D N 3.777 124.108 120.400 -0.116 0.000 2.483 76 D HA 0.171 4.813 4.640 0.003 0.000 0.220 76 D C 0.378 176.692 176.300 0.023 0.000 1.173 76 D CA -0.161 53.921 54.000 0.138 0.000 0.964 76 D CB -0.072 40.946 40.800 0.364 0.000 1.046 76 D HN 0.452 nan 8.370 nan 0.000 0.517 77 F N 1.738 121.805 119.950 0.195 0.000 2.725 77 F HA 0.184 4.713 4.527 0.003 0.000 0.303 77 F C 2.155 178.061 175.800 0.177 0.000 1.167 77 F CA -0.394 57.715 58.000 0.182 0.000 1.403 77 F CB 0.188 39.319 39.000 0.219 0.000 1.077 77 F HN 0.183 nan 8.300 nan 0.000 0.537 78 R N 0.294 120.970 120.500 0.293 0.000 2.103 78 R HA -0.241 4.100 4.340 0.003 0.000 0.242 78 R C 2.059 178.468 176.300 0.182 0.000 1.142 78 R CA 1.859 58.080 56.100 0.201 0.000 0.960 78 R CB -0.247 30.118 30.300 0.108 0.000 0.858 78 R HN 0.218 nan 8.270 nan 0.000 0.439 79 E N 0.808 121.121 120.200 0.189 0.000 2.028 79 E HA -0.152 4.199 4.350 0.003 0.000 0.191 79 E C 1.764 178.471 176.600 0.177 0.000 0.988 79 E CA 0.815 57.310 56.400 0.158 0.000 0.799 79 E CB -0.260 29.529 29.700 0.148 0.000 0.755 79 E HN 0.111 nan 8.360 nan 0.000 0.447 80 L N 1.109 122.482 121.223 0.250 0.000 2.042 80 L HA -0.193 4.148 4.340 0.003 0.000 0.210 80 L C 1.597 178.632 176.870 0.275 0.000 1.076 80 L CA 1.866 56.857 54.840 0.251 0.000 0.749 80 L CB -0.785 41.477 42.059 0.338 0.000 0.893 80 L HN 0.142 nan 8.230 nan 0.000 0.432 81 N N 0.450 119.322 118.700 0.288 0.000 2.166 81 N HA -0.203 4.539 4.740 0.003 0.000 0.186 81 N C 1.634 177.219 175.510 0.127 0.000 1.019 81 N CA 1.765 54.932 53.050 0.196 0.000 0.856 81 N CB -0.320 38.260 38.487 0.156 0.000 0.993 81 N HN 0.631 nan 8.380 nan 0.000 0.426 82 K N 0.436 120.908 120.400 0.119 0.000 2.366 82 K HA 0.078 4.399 4.320 0.003 0.000 0.198 82 K C 1.544 178.194 176.600 0.083 0.000 1.044 82 K CA 0.721 57.059 56.287 0.085 0.000 0.973 82 K CB 0.105 32.646 32.500 0.068 0.000 0.767 82 K HN 0.046 nan 8.250 nan 0.000 0.475 83 R N 0.855 121.413 120.500 0.098 0.000 2.265 83 R HA 0.041 4.383 4.340 0.003 0.000 0.194 83 R C 0.491 176.852 176.300 0.101 0.000 0.931 83 R CA 0.342 56.485 56.100 0.073 0.000 1.032 83 R CB 0.505 30.823 30.300 0.031 0.000 0.980 83 R HN 0.095 nan 8.270 nan 0.000 0.497 84 T N 2.158 116.813 114.554 0.168 0.000 2.814 84 T HA 0.015 4.367 4.350 0.003 0.000 0.297 84 T C 0.019 174.817 174.700 0.164 0.000 0.956 84 T CA -0.641 61.595 62.100 0.227 0.000 1.123 84 T CB 0.705 69.792 68.868 0.366 0.000 0.902 84 T HN 0.238 nan 8.240 nan 0.000 0.528 85 Q N 4.106 124.022 119.800 0.192 0.000 2.368 85 Q HA -0.023 4.319 4.340 0.003 0.000 0.331 85 Q C -0.658 175.500 176.000 0.264 0.000 1.086 85 Q CA -0.200 55.728 55.803 0.208 0.000 1.031 85 Q CB 0.187 29.057 28.738 0.220 0.000 1.125 85 Q HN 0.515 nan 8.270 nan 0.000 0.389 86 D N 2.850 123.372 120.400 0.203 0.000 2.502 86 D HA -0.077 4.565 4.640 0.003 0.000 0.249 86 D C -0.737 175.708 176.300 0.242 0.000 1.188 86 D CA 0.539 54.663 54.000 0.207 0.000 0.890 86 D CB 0.067 40.983 40.800 0.193 0.000 1.140 86 D HN 0.447 nan 8.370 nan 0.000 0.505 87 F N 3.895 123.779 119.950 -0.111 0.000 2.752 87 F HA 0.104 4.632 4.527 0.003 0.000 0.332 87 F C 0.525 176.154 175.800 -0.284 0.000 1.188 87 F CA -1.310 56.521 58.000 -0.283 0.000 1.296 87 F CB -0.190 38.585 39.000 -0.376 0.000 1.526 87 F HN 0.343 nan 8.300 nan 0.000 0.576 88 W N 1.626 122.884 121.300 -0.069 0.000 2.347 88 W HA 0.226 4.887 4.660 0.002 0.000 0.333 88 W C -0.332 176.129 176.519 -0.097 0.000 1.383 88 W CA -0.780 56.530 57.345 -0.058 0.000 1.283 88 W CB -0.013 29.410 29.460 -0.061 0.000 1.253 88 W HN 0.265 nan 8.180 nan 0.000 0.563 89 E N 1.741 121.894 120.200 -0.079 0.000 2.280 89 E HA 0.155 4.507 4.350 0.003 0.000 0.261 89 E C 1.034 177.614 176.600 -0.033 0.000 1.088 89 E CA -0.774 55.509 56.400 -0.196 0.000 0.915 89 E CB 1.196 30.842 29.700 -0.090 0.000 1.141 89 E HN 0.229 nan 8.360 nan 0.000 0.433 90 V N 1.525 121.382 119.914 -0.094 0.000 2.527 90 V HA -0.341 3.781 4.120 0.003 0.000 0.255 90 V C 2.082 178.227 176.094 0.085 0.000 1.081 90 V CA 2.400 64.715 62.300 0.026 0.000 1.092 90 V CB -1.154 30.655 31.823 -0.024 0.000 0.673 90 V HN 0.691 nan 8.190 nan 0.000 0.470 91 Q N -0.049 119.788 119.800 0.061 0.000 2.325 91 Q HA -0.209 4.133 4.340 0.003 0.000 0.211 91 Q C 1.343 177.404 176.000 0.101 0.000 0.988 91 Q CA 1.924 57.770 55.803 0.071 0.000 0.887 91 Q CB -0.452 28.327 28.738 0.068 0.000 0.915 91 Q HN 0.532 nan 8.270 nan 0.000 0.440 92 L N -1.895 119.423 121.223 0.158 0.000 5.081 92 L HA -0.214 4.127 4.340 0.003 0.000 0.423 92 L C 0.493 177.440 176.870 0.128 0.000 1.019 92 L CA 0.702 55.630 54.840 0.146 0.000 1.223 92 L CB -2.089 40.019 42.059 0.082 0.000 1.940 92 L HN 0.593 nan 8.230 nan 0.000 0.675 93 G N 0.235 109.118 108.800 0.137 0.000 3.224 93 G HA2 -0.066 3.895 3.960 0.003 0.000 0.684 93 G HA3 -0.066 3.895 3.960 0.003 0.000 0.684 93 G C -0.398 174.571 174.900 0.116 0.000 1.180 93 G CA -0.445 44.734 45.100 0.131 0.000 1.099 93 G HN 0.154 nan 8.290 nan 0.000 0.476 94 I N 4.771 125.416 120.570 0.126 0.000 2.483 94 I HA 0.114 4.285 4.170 0.003 0.000 0.291 94 I C -0.886 175.317 176.117 0.143 0.000 1.112 94 I CA -1.273 60.102 61.300 0.124 0.000 1.350 94 I CB 0.803 38.887 38.000 0.140 0.000 1.419 94 I HN 0.311 nan 8.210 nan 0.000 0.523 95 P HA -0.091 nan 4.420 nan 0.000 0.260 95 P C -0.324 177.030 177.300 0.090 0.000 1.185 95 P CA 0.073 63.236 63.100 0.105 0.000 0.763 95 P CB 0.205 31.945 31.700 0.067 0.000 0.776 96 H N 6.105 125.200 119.070 0.041 0.000 3.140 96 H HA 0.022 4.580 4.556 0.003 0.000 0.316 96 H C -1.541 173.716 175.328 -0.119 0.000 0.986 96 H CA -0.625 55.377 56.048 -0.076 0.000 1.397 96 H CB -0.042 29.653 29.762 -0.111 0.000 1.377 96 H HN 0.306 nan 8.280 nan 0.000 0.585 97 P HA 0.101 nan 4.420 nan 0.000 0.277 97 P C -0.095 176.897 177.300 -0.512 0.000 1.354 97 P CA -0.029 62.757 63.100 -0.523 0.000 0.891 97 P CB 0.805 32.268 31.700 -0.395 0.000 1.058 98 A N 3.979 126.653 122.820 -0.244 0.000 2.125 98 A HA -0.032 4.290 4.320 0.003 0.000 0.219 98 A C 2.163 179.655 177.584 -0.153 0.000 1.156 98 A CA 1.643 53.593 52.037 -0.145 0.000 0.671 98 A CB -1.087 17.877 19.000 -0.059 0.000 0.794 98 A HN 0.541 nan 8.150 nan 0.000 0.459 99 G N -0.766 107.941 108.800 -0.156 0.000 2.572 99 G HA2 0.064 4.026 3.960 0.003 0.000 0.216 99 G HA3 0.064 4.026 3.960 0.003 0.000 0.216 99 G C 1.309 176.121 174.900 -0.147 0.000 1.133 99 G CA 0.769 45.793 45.100 -0.126 0.000 0.791 99 G HN 0.421 nan 8.290 nan 0.000 0.538 100 L N 1.755 122.861 121.223 -0.194 0.000 2.012 100 L HA -0.046 4.296 4.340 0.003 0.000 0.210 100 L C 2.884 179.623 176.870 -0.217 0.000 1.073 100 L CA 2.479 57.210 54.840 -0.181 0.000 0.748 100 L CB -0.430 41.494 42.059 -0.224 0.000 0.891 100 L HN 0.426 nan 8.230 nan 0.000 0.431 101 K N -1.072 119.183 120.400 -0.242 0.000 2.360 101 K HA -0.160 4.161 4.320 0.003 0.000 0.201 101 K C 1.640 178.065 176.600 -0.291 0.000 1.046 101 K CA 1.480 57.584 56.287 -0.305 0.000 0.945 101 K CB -0.282 32.069 32.500 -0.248 0.000 0.750 101 K HN 0.305 nan 8.250 nan 0.000 0.464 102 K N 0.520 120.795 120.400 -0.207 0.000 2.367 102 K HA 0.118 4.440 4.320 0.003 0.000 0.194 102 K C -0.070 176.437 176.600 -0.156 0.000 1.027 102 K CA -0.136 56.053 56.287 -0.163 0.000 1.075 102 K CB 0.418 32.851 32.500 -0.111 0.000 0.845 102 K HN -0.019 nan 8.250 nan 0.000 0.529 103 K N 1.408 121.706 120.400 -0.169 0.000 2.258 103 K HA 0.060 4.382 4.320 0.003 0.000 0.264 103 K C 0.979 177.482 176.600 -0.162 0.000 1.007 103 K CA 0.114 56.321 56.287 -0.134 0.000 0.941 103 K CB 0.693 33.133 32.500 -0.100 0.000 0.966 103 K HN -0.163 nan 8.250 nan 0.000 0.480 104 K N 0.638 120.965 120.400 -0.121 0.000 2.097 104 K HA -0.002 4.320 4.320 0.003 0.000 0.205 104 K C 0.408 176.949 176.600 -0.097 0.000 1.050 104 K CA 0.974 57.195 56.287 -0.110 0.000 0.938 104 K CB 0.114 32.559 32.500 -0.092 0.000 0.718 104 K HN 0.389 nan 8.250 nan 0.000 0.442 105 S N -0.036 115.544 115.700 -0.199 0.000 2.541 105 S HA 0.492 4.963 4.470 0.003 0.000 0.280 105 S C -0.992 173.448 174.600 -0.266 0.000 1.112 105 S CA -0.836 57.164 58.200 -0.333 0.000 0.925 105 S CB 2.860 65.606 63.200 -0.756 0.000 1.067 105 S HN -0.134 nan 8.310 nan 0.000 0.479 106 V N 2.419 122.218 119.914 -0.193 0.000 2.569 106 V HA 0.502 4.624 4.120 0.003 0.000 0.301 106 V C -0.363 175.752 176.094 0.035 0.000 1.044 106 V CA -0.517 61.785 62.300 0.003 0.000 0.874 106 V CB 2.033 33.839 31.823 -0.028 0.000 1.002 106 V HN 0.909 nan 8.190 nan 0.000 0.424 107 T N 4.158 118.807 114.554 0.158 0.000 2.867 107 T HA 0.608 4.959 4.350 0.003 0.000 0.282 107 T C -0.310 174.383 174.700 -0.012 0.000 1.000 107 T CA -0.374 61.767 62.100 0.068 0.000 1.042 107 T CB 1.782 70.699 68.868 0.083 0.000 0.973 107 T HN 0.360 nan 8.240 nan 0.000 0.465 108 V N 4.696 124.576 119.914 -0.056 0.000 2.370 108 V HA 0.484 4.605 4.120 0.003 0.000 0.283 108 V C -0.255 175.749 176.094 -0.151 0.000 1.023 108 V CA -0.729 61.449 62.300 -0.204 0.000 0.857 108 V CB 1.023 32.790 31.823 -0.092 0.000 0.985 108 V HN 0.680 nan 8.190 nan 0.000 0.443 109 L N 3.392 124.496 121.223 -0.199 0.000 2.346 109 L HA 0.568 4.909 4.340 0.003 0.000 0.274 109 L C -0.495 176.284 176.870 -0.151 0.000 1.007 109 L CA -0.636 54.113 54.840 -0.152 0.000 0.818 109 L CB 2.126 44.108 42.059 -0.128 0.000 1.284 109 L HN 0.550 nan 8.230 nan 0.000 0.424 110 D N 1.856 122.179 120.400 -0.129 0.000 2.411 110 D HA 0.230 4.871 4.640 0.003 0.000 0.225 110 D C 0.426 176.640 176.300 -0.142 0.000 1.156 110 D CA -0.336 53.601 54.000 -0.106 0.000 0.874 110 D CB 1.402 42.193 40.800 -0.015 0.000 1.034 110 D HN 0.270 nan 8.370 nan 0.000 0.502 111 V N 1.873 121.653 119.914 -0.223 0.000 3.376 111 V HA 0.405 4.527 4.120 0.003 0.000 0.313 111 V C 1.837 177.585 176.094 -0.577 0.000 1.393 111 V CA 0.307 62.424 62.300 -0.306 0.000 1.125 111 V CB 0.271 31.947 31.823 -0.245 0.000 1.037 111 V HN 0.434 nan 8.190 nan 0.000 0.440 112 G N 0.396 108.839 108.800 -0.596 0.000 2.485 112 G HA2 -0.274 3.688 3.960 0.003 0.000 0.221 112 G HA3 -0.274 3.688 3.960 0.003 0.000 0.221 112 G C 1.188 175.491 174.900 -0.995 0.000 1.115 112 G CA 1.178 45.743 45.100 -0.893 0.000 0.751 112 G HN 0.516 nan 8.290 nan 0.000 0.567 113 D N 0.807 120.794 120.400 -0.688 0.000 2.149 113 D HA -0.115 4.526 4.640 0.003 0.000 0.198 113 D C 2.837 178.821 176.300 -0.528 0.000 0.990 113 D CA 1.121 54.772 54.000 -0.582 0.000 0.839 113 D CB -0.127 40.512 40.800 -0.269 0.000 0.948 113 D HN 0.307 nan 8.370 nan 0.000 0.460 114 A N 0.432 122.924 122.820 -0.547 0.000 1.948 114 A HA -0.237 4.084 4.320 0.003 0.000 0.220 114 A C 2.064 179.333 177.584 -0.525 0.000 1.177 114 A CA 1.271 53.020 52.037 -0.480 0.000 0.636 114 A CB -1.336 17.294 19.000 -0.617 0.000 0.815 114 A HN 0.451 nan 8.150 nan 0.000 0.449 115 Y N -1.363 118.459 120.300 -0.797 0.000 2.193 115 Y HA -0.293 4.259 4.550 0.002 0.000 0.285 115 Y C 2.143 177.936 175.900 -0.180 0.000 1.166 115 Y CA 0.957 58.696 58.100 -0.602 0.000 1.181 115 Y CB -0.559 37.571 38.460 -0.550 0.000 0.976 115 Y HN 0.380 nan 8.280 nan 0.000 0.520 116 F N -0.088 119.896 119.950 0.057 0.000 2.583 116 F HA -0.177 4.352 4.527 0.002 0.000 0.297 116 F C 2.323 178.169 175.800 0.077 0.000 1.131 116 F CA 0.479 58.525 58.000 0.077 0.000 1.467 116 F CB -0.203 38.829 39.000 0.052 0.000 1.097 116 F HN 0.091 nan 8.300 nan 0.000 0.586 117 S N -1.025 114.816 115.700 0.235 0.000 2.548 117 S HA 0.109 4.580 4.470 0.003 0.000 0.215 117 S C 0.313 175.040 174.600 0.211 0.000 0.976 117 S CA -0.179 58.144 58.200 0.206 0.000 0.908 117 S CB -0.342 62.980 63.200 0.203 0.000 0.781 117 S HN -0.041 nan 8.310 nan 0.000 0.519 118 V N 4.778 124.827 119.914 0.224 0.000 2.384 118 V HA 0.472 4.593 4.120 0.003 0.000 0.287 118 V C -2.327 173.871 176.094 0.174 0.000 1.020 118 V CA -2.291 60.135 62.300 0.209 0.000 0.850 118 V CB 1.638 33.619 31.823 0.263 0.000 0.987 118 V HN 0.255 nan 8.190 nan 0.000 0.436 119 P HA 0.141 nan 4.420 nan 0.000 0.271 119 P C -0.780 176.589 177.300 0.116 0.000 1.218 119 P CA -0.315 62.858 63.100 0.121 0.000 0.780 119 P CB 1.400 33.157 31.700 0.096 0.000 0.901 120 L N 2.590 123.880 121.223 0.110 0.000 2.307 120 L HA 0.343 4.685 4.340 0.003 0.000 0.282 120 L C 0.104 177.028 176.870 0.090 0.000 1.051 120 L CA -0.529 54.368 54.840 0.096 0.000 0.804 120 L CB 0.486 42.594 42.059 0.082 0.000 1.197 120 L HN 0.264 nan 8.230 nan 0.000 0.431 121 D N 2.596 123.052 120.400 0.094 0.000 2.570 121 D HA -0.125 4.516 4.640 0.003 0.000 0.243 121 D C 1.162 177.525 176.300 0.104 0.000 1.171 121 D CA 0.590 54.650 54.000 0.100 0.000 0.879 121 D CB 0.797 41.664 40.800 0.111 0.000 1.143 121 D HN 0.683 nan 8.370 nan 0.000 0.511 122 E N 3.067 123.310 120.200 0.071 0.000 2.136 122 E HA -0.274 4.077 4.350 0.003 0.000 0.202 122 E C 0.806 177.422 176.600 0.028 0.000 1.019 122 E CA 1.945 58.371 56.400 0.044 0.000 0.819 122 E CB -0.016 29.704 29.700 0.032 0.000 0.739 122 E HN 0.602 nan 8.360 nan 0.000 0.458 123 D N -1.348 119.087 120.400 0.057 0.000 2.363 123 D HA -0.084 4.558 4.640 0.003 0.000 0.220 123 D C 1.048 177.362 176.300 0.022 0.000 0.994 123 D CA 0.426 54.447 54.000 0.035 0.000 0.890 123 D CB -0.068 40.779 40.800 0.079 0.000 0.906 123 D HN 0.266 nan 8.370 nan 0.000 0.530 124 F N 1.252 121.151 119.950 -0.085 0.000 2.678 124 F HA 0.161 4.689 4.527 0.002 0.000 0.291 124 F C 2.050 177.724 175.800 -0.209 0.000 1.123 124 F CA -0.032 57.912 58.000 -0.092 0.000 1.395 124 F CB 0.253 39.242 39.000 -0.017 0.000 1.121 124 F HN -0.287 nan 8.300 nan 0.000 0.592 125 R N 1.151 121.591 120.500 -0.100 0.000 2.133 125 R HA -0.247 4.095 4.340 0.003 0.000 0.247 125 R C 2.224 178.383 176.300 -0.236 0.000 1.151 125 R CA 2.134 58.162 56.100 -0.120 0.000 0.971 125 R CB -0.671 29.611 30.300 -0.031 0.000 0.866 125 R HN 0.390 nan 8.270 nan 0.000 0.447 126 K N 0.198 120.377 120.400 -0.368 0.000 2.160 126 K HA -0.208 4.114 4.320 0.003 0.000 0.206 126 K C 1.459 177.849 176.600 -0.351 0.000 1.047 126 K CA 1.854 57.941 56.287 -0.333 0.000 0.930 126 K CB -0.505 31.771 32.500 -0.373 0.000 0.720 126 K HN 0.353 nan 8.250 nan 0.000 0.450 127 Y N 2.237 122.234 120.300 -0.505 0.000 2.616 127 Y HA -0.068 4.483 4.550 0.003 0.000 0.296 127 Y C 2.080 177.777 175.900 -0.338 0.000 1.154 127 Y CA 0.815 58.517 58.100 -0.664 0.000 1.325 127 Y CB -0.003 37.793 38.460 -1.107 0.000 1.007 127 Y HN 0.327 nan 8.280 nan 0.000 0.542 128 T N -2.307 112.198 114.554 -0.081 0.000 3.163 128 T HA 0.450 4.802 4.350 0.003 0.000 0.252 128 T C 0.749 175.679 174.700 0.384 0.000 1.056 128 T CA -0.148 62.070 62.100 0.197 0.000 0.947 128 T CB -0.395 68.590 68.868 0.195 0.000 1.016 128 T HN 0.200 nan 8.240 nan 0.000 0.554 129 A N 1.774 124.733 122.820 0.231 0.000 2.531 129 A HA 0.549 4.870 4.320 0.003 0.000 0.236 129 A C -0.042 177.709 177.584 0.279 0.000 1.062 129 A CA -0.397 51.749 52.037 0.183 0.000 0.760 129 A CB -0.442 18.616 19.000 0.097 0.000 0.995 129 A HN 0.815 nan 8.150 nan 0.000 0.501 130 F N -1.006 118.989 119.950 0.075 0.000 2.685 130 F HA 0.817 5.346 4.527 0.002 0.000 0.315 130 F C -0.398 175.408 175.800 0.011 0.000 1.126 130 F CA -0.817 57.196 58.000 0.023 0.000 0.950 130 F CB 1.423 40.427 39.000 0.006 0.000 1.360 130 F HN 0.370 nan 8.300 nan 0.000 0.469 131 T N 2.300 116.931 114.554 0.129 0.000 2.848 131 T HA 0.560 4.911 4.350 0.003 0.000 0.285 131 T C -0.610 174.137 174.700 0.078 0.000 0.995 131 T CA -0.409 61.689 62.100 -0.002 0.000 0.970 131 T CB 1.576 70.417 68.868 -0.045 0.000 0.976 131 T HN 0.588 nan 8.240 nan 0.000 0.441 132 I N 5.732 126.333 120.570 0.053 0.000 2.291 132 I HA 0.266 4.437 4.170 0.003 0.000 0.290 132 I C -1.832 174.273 176.117 -0.021 0.000 1.050 132 I CA -2.241 59.090 61.300 0.053 0.000 1.245 132 I CB 1.110 39.166 38.000 0.094 0.000 1.405 132 I HN 0.318 nan 8.210 nan 0.000 0.478 133 P HA 0.114 nan 4.420 nan 0.000 0.274 133 P C -0.578 176.691 177.300 -0.050 0.000 1.256 133 P CA -0.284 62.784 63.100 -0.053 0.000 0.795 133 P CB 1.130 32.794 31.700 -0.060 0.000 1.038 134 S N -0.036 115.634 115.700 -0.050 0.000 2.568 134 S HA 0.495 4.966 4.470 0.003 0.000 0.302 134 S C 0.292 174.867 174.600 -0.042 0.000 1.082 134 S CA -1.007 57.165 58.200 -0.046 0.000 1.009 134 S CB 0.456 63.629 63.200 -0.046 0.000 1.069 134 S HN 0.300 nan 8.310 nan 0.000 0.500 135 I N 2.754 123.300 120.570 -0.040 0.000 2.752 135 I HA 0.007 4.178 4.170 0.003 0.000 0.289 135 I C 1.156 177.253 176.117 -0.032 0.000 1.197 135 I CA 0.485 61.763 61.300 -0.036 0.000 1.432 135 I CB -0.402 37.578 38.000 -0.033 0.000 1.359 135 I HN 0.996 nan 8.210 nan 0.000 0.571 136 N N 5.114 123.796 118.700 -0.030 0.000 2.713 136 N HA -0.275 4.467 4.740 0.003 0.000 0.251 136 N C 0.108 175.601 175.510 -0.028 0.000 1.117 136 N CA 1.183 54.217 53.050 -0.027 0.000 0.770 136 N CB -0.975 37.498 38.487 -0.024 0.000 1.137 136 N HN 0.822 nan 8.380 nan 0.000 0.566 137 N N -1.059 117.621 118.700 -0.032 0.000 2.708 137 N HA -0.235 4.506 4.740 0.003 0.000 0.249 137 N C 0.333 175.823 175.510 -0.034 0.000 1.097 137 N CA 1.339 54.368 53.050 -0.035 0.000 0.710 137 N CB -1.068 37.400 38.487 -0.032 0.000 1.032 137 N HN 0.718 nan 8.380 nan 0.000 0.551 138 E N -0.399 119.781 120.200 -0.033 0.000 2.152 138 E HA -0.062 4.290 4.350 0.003 0.000 0.192 138 E C 0.915 177.493 176.600 -0.036 0.000 0.983 138 E CA 1.320 57.701 56.400 -0.032 0.000 0.818 138 E CB 0.194 29.877 29.700 -0.029 0.000 0.758 138 E HN 0.623 nan 8.360 nan 0.000 0.467 139 T N -1.054 113.475 114.554 -0.041 0.000 2.907 139 T HA 0.445 4.796 4.350 0.003 0.000 0.292 139 T C -2.833 171.833 174.700 -0.056 0.000 1.043 139 T CA -2.474 59.598 62.100 -0.047 0.000 1.003 139 T CB 1.788 70.627 68.868 -0.048 0.000 1.084 139 T HN -0.310 nan 8.240 nan 0.000 0.483 140 P HA 0.259 nan 4.420 nan 0.000 0.264 140 P C 0.647 177.893 177.300 -0.089 0.000 1.183 140 P CA 0.145 63.199 63.100 -0.076 0.000 0.763 140 P CB 0.044 31.694 31.700 -0.085 0.000 0.807 141 G N 3.278 112.024 108.800 -0.090 0.000 2.432 141 G HA2 0.175 4.136 3.960 0.003 0.000 0.239 141 G HA3 0.175 4.136 3.960 0.003 0.000 0.239 141 G C -0.060 174.753 174.900 -0.145 0.000 1.291 141 G CA -0.551 44.490 45.100 -0.098 0.000 0.863 141 G HN 0.467 nan 8.290 nan 0.000 0.560 142 I N 2.243 122.719 120.570 -0.157 0.000 2.452 142 I HA 0.171 4.342 4.170 0.003 0.000 0.287 142 I C 0.748 176.629 176.117 -0.394 0.000 1.079 142 I CA -0.008 61.125 61.300 -0.279 0.000 1.387 142 I CB 0.522 38.392 38.000 -0.217 0.000 1.404 142 I HN 0.257 nan 8.210 nan 0.000 0.522 143 R N 6.500 126.692 120.500 -0.515 0.000 2.346 143 R HA 0.611 4.952 4.340 0.003 0.000 0.311 143 R C -1.371 174.485 176.300 -0.739 0.000 0.983 143 R CA -0.699 55.094 56.100 -0.512 0.000 0.880 143 R CB 1.672 31.776 30.300 -0.327 0.000 1.100 143 R HN 0.475 nan 8.270 nan 0.000 0.453 144 Y N 0.137 120.032 120.300 -0.674 0.000 2.638 144 Y HA 0.266 4.817 4.550 0.002 0.000 0.339 144 Y C -0.101 175.450 175.900 -0.583 0.000 1.084 144 Y CA -0.986 56.708 58.100 -0.677 0.000 1.068 144 Y CB 2.317 40.232 38.460 -0.908 0.000 1.294 144 Y HN 0.483 nan 8.280 nan 0.000 0.480 145 Q N -0.255 119.481 119.800 -0.106 0.000 2.456 145 Q HA 0.511 4.852 4.340 0.003 0.000 0.284 145 Q C -2.186 173.837 176.000 0.038 0.000 1.061 145 Q CA -1.090 54.733 55.803 0.033 0.000 0.799 145 Q CB 2.170 30.913 28.738 0.009 0.000 1.445 145 Q HN 0.656 nan 8.270 nan 0.000 0.411 146 Y N 1.230 121.613 120.300 0.138 0.000 2.304 146 Y HA 0.232 4.784 4.550 0.002 0.000 0.327 146 Y C 0.860 176.784 175.900 0.039 0.000 1.209 146 Y CA 0.165 58.325 58.100 0.101 0.000 1.299 146 Y CB 1.058 39.588 38.460 0.118 0.000 1.249 146 Y HN 0.729 nan 8.280 nan 0.000 0.519 147 N N 0.675 119.476 118.700 0.168 0.000 2.197 147 N HA 0.093 4.835 4.740 0.003 0.000 0.201 147 N C -0.672 174.926 175.510 0.148 0.000 1.148 147 N CA 0.423 53.539 53.050 0.110 0.000 0.883 147 N CB 0.876 39.393 38.487 0.050 0.000 1.012 147 N HN 0.372 nan 8.380 nan 0.000 0.507 148 V N -2.211 117.845 119.914 0.237 0.000 3.158 148 V HA 0.536 4.658 4.120 0.003 0.000 0.311 148 V C 0.162 176.409 176.094 0.256 0.000 1.181 148 V CA -1.219 61.230 62.300 0.248 0.000 1.054 148 V CB 1.519 33.521 31.823 0.299 0.000 1.085 148 V HN -0.165 nan 8.190 nan 0.000 0.446 149 L N 3.449 124.796 121.223 0.206 0.000 2.584 149 L HA 0.298 4.639 4.340 0.003 0.000 0.272 149 L C -2.032 174.904 176.870 0.110 0.000 1.195 149 L CA -0.892 54.014 54.840 0.109 0.000 0.920 149 L CB 0.351 42.412 42.059 0.003 0.000 1.173 149 L HN 0.551 nan 8.230 nan 0.000 0.489 150 P HA 0.175 nan 4.420 nan 0.000 0.284 150 P C -1.248 176.055 177.300 0.005 0.000 1.258 150 P CA -0.801 62.119 63.100 -0.301 0.000 0.824 150 P CB 0.994 32.087 31.700 -1.012 0.000 1.038 151 Q N 0.179 120.056 119.800 0.130 0.000 2.352 151 Q HA 0.377 4.718 4.340 0.003 0.000 0.260 151 Q C 1.165 177.341 176.000 0.293 0.000 0.976 151 Q CA 0.736 56.648 55.803 0.182 0.000 0.881 151 Q CB 0.099 28.881 28.738 0.073 0.000 1.235 151 Q HN 0.885 nan 8.270 nan 0.000 0.419 152 G N 1.647 110.615 108.800 0.280 0.000 2.217 152 G HA2 -0.264 3.697 3.960 0.003 0.000 0.246 152 G HA3 -0.264 3.697 3.960 0.003 0.000 0.246 152 G C -0.582 174.528 174.900 0.352 0.000 0.990 152 G CA -0.018 45.308 45.100 0.376 0.000 0.627 152 G HN 0.670 nan 8.290 nan 0.000 0.522 153 W N 2.271 123.470 121.300 -0.168 0.000 2.315 153 W HA 0.648 5.310 4.660 0.002 0.000 0.316 153 W C 1.288 177.625 176.519 -0.303 0.000 1.211 153 W CA -0.602 56.459 57.345 -0.472 0.000 1.201 153 W CB 0.975 29.921 29.460 -0.857 0.000 1.184 153 W HN 0.093 nan 8.180 nan 0.000 0.544 154 K N 2.893 122.828 120.400 -0.774 0.000 2.074 154 K HA -0.164 4.158 4.320 0.003 0.000 0.209 154 K C 1.811 177.705 176.600 -1.177 0.000 1.048 154 K CA 2.055 57.874 56.287 -0.780 0.000 0.926 154 K CB -0.636 31.546 32.500 -0.529 0.000 0.713 154 K HN 0.752 nan 8.250 nan 0.000 0.444 155 G N -0.565 106.801 108.800 -2.391 0.000 2.744 155 G HA2 -0.096 3.866 3.960 0.003 0.000 0.211 155 G HA3 -0.096 3.866 3.960 0.003 0.000 0.211 155 G C 1.185 175.228 174.900 -1.428 0.000 1.143 155 G CA 0.379 44.105 45.100 -2.290 0.000 0.788 155 G HN 0.254 nan 8.290 nan 0.000 0.534 156 S N 1.499 116.565 115.700 -1.057 0.000 2.345 156 S HA -0.042 4.430 4.470 0.003 0.000 0.219 156 S C 0.305 174.425 174.600 -0.799 0.000 1.031 156 S CA 1.320 59.065 58.200 -0.759 0.000 0.984 156 S CB -0.602 62.093 63.200 -0.842 0.000 0.874 156 S HN 0.369 nan 8.310 nan 0.000 0.451 157 P HA -0.032 nan 4.420 nan 0.000 0.217 157 P C 1.290 178.496 177.300 -0.157 0.000 1.150 157 P CA 1.440 64.396 63.100 -0.240 0.000 0.832 157 P CB -0.108 31.521 31.700 -0.118 0.000 0.787 158 A N 0.313 122.982 122.820 -0.250 0.000 1.883 158 A HA -0.155 4.167 4.320 0.003 0.000 0.217 158 A C 2.376 179.907 177.584 -0.088 0.000 1.186 158 A CA 1.592 53.541 52.037 -0.147 0.000 0.624 158 A CB -1.577 17.340 19.000 -0.138 0.000 0.822 158 A HN 0.142 nan 8.150 nan 0.000 0.444 159 I N -2.442 118.060 120.570 -0.114 0.000 2.617 159 I HA -0.111 4.060 4.170 0.003 0.000 0.256 159 I C 2.041 178.168 176.117 0.017 0.000 1.167 159 I CA 0.909 62.195 61.300 -0.024 0.000 1.469 159 I CB -0.065 37.930 38.000 -0.008 0.000 1.098 159 I HN 0.409 nan 8.210 nan 0.000 0.436 160 F N 1.093 120.950 119.950 -0.155 0.000 2.789 160 F HA 0.003 4.532 4.527 0.003 0.000 0.300 160 F C 2.277 178.050 175.800 -0.044 0.000 1.132 160 F CA 0.493 58.449 58.000 -0.075 0.000 1.404 160 F CB -0.187 38.786 39.000 -0.046 0.000 1.114 160 F HN 0.004 nan 8.300 nan 0.000 0.584 161 Q N 0.454 120.228 119.800 -0.043 0.000 1.998 161 Q HA -0.291 4.050 4.340 0.003 0.000 0.209 161 Q C 2.407 178.293 176.000 -0.191 0.000 1.002 161 Q CA 3.269 59.022 55.803 -0.084 0.000 0.858 161 Q CB -0.312 28.394 28.738 -0.053 0.000 0.932 161 Q HN 0.505 nan 8.270 nan 0.000 0.416 162 S N -0.267 115.325 115.700 -0.179 0.000 2.392 162 S HA -0.203 4.268 4.470 0.003 0.000 0.232 162 S C 2.084 176.516 174.600 -0.280 0.000 1.041 162 S CA 1.703 59.794 58.200 -0.181 0.000 1.026 162 S CB -0.576 62.543 63.200 -0.134 0.000 0.845 162 S HN 0.349 nan 8.310 nan 0.000 0.465 163 S N 1.533 116.952 115.700 -0.468 0.000 2.387 163 S HA 0.072 4.544 4.470 0.003 0.000 0.226 163 S C 1.821 176.001 174.600 -0.701 0.000 1.026 163 S CA 1.350 59.167 58.200 -0.638 0.000 0.972 163 S CB -0.436 62.172 63.200 -0.988 0.000 0.814 163 S HN 0.521 nan 8.310 nan 0.000 0.477 164 M N 2.017 121.171 119.600 -0.744 0.000 2.132 164 M HA -0.050 4.431 4.480 0.003 0.000 0.263 164 M C 1.969 178.111 176.300 -0.262 0.000 1.065 164 M CA 1.536 56.612 55.300 -0.374 0.000 1.122 164 M CB -1.225 31.327 32.600 -0.080 0.000 1.365 164 M HN 0.138 nan 8.290 nan 0.000 0.411 165 T N 1.325 115.748 114.554 -0.218 0.000 2.665 165 T HA -0.216 4.135 4.350 0.003 0.000 0.268 165 T C 1.570 176.176 174.700 -0.156 0.000 1.035 165 T CA 2.124 64.140 62.100 -0.140 0.000 1.151 165 T CB -0.396 68.411 68.868 -0.103 0.000 0.862 165 T HN 0.647 nan 8.240 nan 0.000 0.438 166 K N 0.666 120.939 120.400 -0.213 0.000 2.361 166 K HA 0.202 4.524 4.320 0.003 0.000 0.196 166 K C 2.018 178.378 176.600 -0.399 0.000 1.039 166 K CA 0.596 56.768 56.287 -0.192 0.000 1.001 166 K CB -0.219 32.210 32.500 -0.118 0.000 0.795 166 K HN 0.284 nan 8.250 nan 0.000 0.495 167 I N 1.173 121.354 120.570 -0.649 0.000 2.546 167 I HA -0.147 4.025 4.170 0.003 0.000 0.255 167 I C 1.769 177.463 176.117 -0.705 0.000 1.163 167 I CA 0.959 61.514 61.300 -1.241 0.000 1.457 167 I CB 0.051 37.505 38.000 -0.909 0.000 1.092 167 I HN 0.170 nan 8.210 nan 0.000 0.434 168 L N -0.474 120.576 121.223 -0.288 0.000 2.554 168 L HA 0.054 4.395 4.340 0.003 0.000 0.225 168 L C 2.233 179.133 176.870 0.051 0.000 1.104 168 L CA -0.012 54.791 54.840 -0.062 0.000 0.866 168 L CB -0.248 41.786 42.059 -0.041 0.000 1.047 168 L HN 0.082 nan 8.230 nan 0.000 0.468 169 E N 0.910 121.126 120.200 0.027 0.000 2.086 169 E HA -0.228 4.124 4.350 0.003 0.000 0.205 169 E C -0.397 176.278 176.600 0.125 0.000 1.027 169 E CA 1.821 58.263 56.400 0.070 0.000 0.830 169 E CB -1.396 28.345 29.700 0.068 0.000 0.751 169 E HN 0.358 nan 8.360 nan 0.000 0.456 170 P HA -0.171 nan 4.420 nan 0.000 0.210 170 P C 1.552 178.945 177.300 0.155 0.000 1.185 170 P CA 1.115 64.376 63.100 0.269 0.000 0.924 170 P CB -0.358 31.665 31.700 0.539 0.000 0.786 171 F N 0.868 120.757 119.950 -0.101 0.000 2.115 171 F HA -0.265 4.264 4.527 0.003 0.000 0.300 171 F C 1.904 177.637 175.800 -0.113 0.000 1.092 171 F CA 1.849 59.692 58.000 -0.261 0.000 1.245 171 F CB -0.504 38.180 39.000 -0.527 0.000 0.995 171 F HN -0.187 nan 8.300 nan 0.000 0.481 172 K N -0.154 120.259 120.400 0.022 0.000 2.097 172 K HA -0.138 4.183 4.320 0.003 0.000 0.205 172 K C 2.066 178.616 176.600 -0.083 0.000 1.050 172 K CA 1.328 57.595 56.287 -0.033 0.000 0.938 172 K CB -0.192 32.334 32.500 0.042 0.000 0.718 172 K HN 0.243 nan 8.250 nan 0.000 0.442 173 K N 1.007 121.381 120.400 -0.043 0.000 2.148 173 K HA -0.193 4.129 4.320 0.003 0.000 0.204 173 K C 2.176 178.732 176.600 -0.074 0.000 1.050 173 K CA 1.343 57.608 56.287 -0.036 0.000 0.942 173 K CB 0.051 32.554 32.500 0.005 0.000 0.724 173 K HN 0.260 nan 8.250 nan 0.000 0.446 174 Q N 0.614 120.342 119.800 -0.121 0.000 2.451 174 Q HA -0.000 4.341 4.340 0.003 0.000 0.206 174 Q C -0.119 175.741 176.000 -0.234 0.000 0.947 174 Q CA 0.707 56.422 55.803 -0.147 0.000 0.937 174 Q CB 0.438 29.098 28.738 -0.129 0.000 1.025 174 Q HN 0.030 nan 8.270 nan 0.000 0.511 175 N N 1.273 119.786 118.700 -0.311 0.000 2.711 175 N HA 0.145 4.887 4.740 0.003 0.000 0.263 175 N C -2.449 172.944 175.510 -0.196 0.000 1.667 175 N CA -0.827 52.028 53.050 -0.324 0.000 0.785 175 N CB 1.613 39.720 38.487 -0.634 0.000 1.231 175 N HN 0.231 nan 8.380 nan 0.000 0.503 176 P HA -0.009 nan 4.420 nan 0.000 0.236 176 P C 0.056 177.327 177.300 -0.048 0.000 1.172 176 P CA 0.977 64.036 63.100 -0.067 0.000 0.759 176 P CB 0.606 32.275 31.700 -0.051 0.000 0.843 177 D N -0.723 119.645 120.400 -0.054 0.000 2.388 177 D HA 0.156 4.797 4.640 0.003 0.000 0.208 177 D C 0.961 177.253 176.300 -0.014 0.000 1.035 177 D CA 0.047 54.029 54.000 -0.031 0.000 0.875 177 D CB 0.006 40.789 40.800 -0.029 0.000 0.984 177 D HN 0.191 nan 8.370 nan 0.000 0.508 178 I N 1.366 121.926 120.570 -0.016 0.000 2.556 178 I HA 0.017 4.188 4.170 0.003 0.000 0.284 178 I C -0.105 176.042 176.117 0.051 0.000 1.114 178 I CA -0.175 61.145 61.300 0.034 0.000 1.418 178 I CB 1.154 39.188 38.000 0.057 0.000 1.394 178 I HN -0.316 nan 8.210 nan 0.000 0.552 179 V N 8.201 128.153 119.914 0.064 0.000 2.370 179 V HA 0.393 4.514 4.120 0.003 0.000 0.279 179 V C 0.105 176.266 176.094 0.112 0.000 1.029 179 V CA -0.380 61.956 62.300 0.061 0.000 0.870 179 V CB 1.415 33.248 31.823 0.017 0.000 0.984 179 V HN 0.433 nan 8.190 nan 0.000 0.451 180 I N 5.751 126.397 120.570 0.128 0.000 2.418 180 I HA 0.427 4.599 4.170 0.003 0.000 0.287 180 I C -1.206 175.042 176.117 0.218 0.000 1.008 180 I CA -0.675 60.721 61.300 0.161 0.000 1.104 180 I CB 1.550 39.626 38.000 0.127 0.000 1.264 180 I HN 0.598 nan 8.210 nan 0.000 0.438 181 Y N 6.363 126.744 120.300 0.135 0.000 2.446 181 Y HA 0.466 5.017 4.550 0.002 0.000 0.345 181 Y C -0.767 175.301 175.900 0.281 0.000 0.984 181 Y CA -0.767 57.425 58.100 0.154 0.000 1.058 181 Y CB 1.742 40.255 38.460 0.089 0.000 1.220 181 Y HN 0.542 nan 8.280 nan 0.000 0.455 182 Q N 5.318 124.800 119.800 -0.531 0.000 2.331 182 Q HA 0.359 4.700 4.340 0.003 0.000 0.267 182 Q C -2.336 173.368 176.000 -0.493 0.000 1.006 182 Q CA -0.886 54.723 55.803 -0.325 0.000 0.818 182 Q CB 1.469 30.148 28.738 -0.098 0.000 1.276 182 Q HN 0.778 nan 8.270 nan 0.000 0.450 183 Y N 6.796 126.989 120.300 -0.179 0.000 2.329 183 Y HA 0.300 4.852 4.550 0.003 0.000 0.328 183 Y C -0.025 175.981 175.900 0.177 0.000 0.992 183 Y CA -0.488 57.605 58.100 -0.011 0.000 1.151 183 Y CB 0.793 39.344 38.460 0.151 0.000 1.150 183 Y HN 0.909 nan 8.280 nan 0.000 0.450 184 M N 1.590 120.947 119.600 -0.404 0.000 7.319 184 M HA -0.387 4.095 4.480 0.003 0.000 0.312 184 M C 0.500 176.862 176.300 0.104 0.000 0.480 184 M CA 2.215 57.425 55.300 -0.150 0.000 1.311 184 M CB -1.493 31.052 32.600 -0.091 0.000 0.421 184 M HN 0.728 nan 8.290 nan 0.000 0.740 185 D N 1.107 121.589 120.400 0.138 0.000 2.340 185 D HA 0.171 4.813 4.640 0.003 0.000 0.220 185 D C -0.105 176.171 176.300 -0.040 0.000 1.039 185 D CA 0.434 54.420 54.000 -0.023 0.000 0.866 185 D CB -0.065 40.699 40.800 -0.060 0.000 0.913 185 D HN 0.362 nan 8.370 nan 0.000 0.523 186 D N 0.545 121.005 120.400 0.101 0.000 2.228 186 D HA 0.348 4.990 4.640 0.003 0.000 0.247 186 D C -0.444 175.847 176.300 -0.016 0.000 0.995 186 D CA -0.596 53.414 54.000 0.017 0.000 0.903 186 D CB 2.467 43.305 40.800 0.064 0.000 1.205 186 D HN -0.118 nan 8.370 nan 0.000 0.459 187 L N 2.154 123.289 121.223 -0.146 0.000 2.325 187 L HA 0.324 4.666 4.340 0.003 0.000 0.281 187 L C -1.536 175.242 176.870 -0.154 0.000 1.004 187 L CA -0.616 54.185 54.840 -0.065 0.000 0.823 187 L CB 0.912 42.932 42.059 -0.065 0.000 1.236 187 L HN 0.225 nan 8.230 nan 0.000 0.415 188 Y N 4.285 124.652 120.300 0.112 0.000 2.353 188 Y HA 0.568 5.119 4.550 0.003 0.000 0.340 188 Y C -0.149 175.821 175.900 0.117 0.000 0.972 188 Y CA -0.731 57.458 58.100 0.148 0.000 1.157 188 Y CB 1.559 40.168 38.460 0.248 0.000 1.157 188 Y HN 0.219 nan 8.280 nan 0.000 0.495 189 V N 3.518 123.536 119.914 0.174 0.000 2.350 189 V HA 0.720 4.842 4.120 0.003 0.000 0.285 189 V C 0.261 176.466 176.094 0.185 0.000 1.014 189 V CA -0.777 61.607 62.300 0.140 0.000 0.831 189 V CB 1.346 33.196 31.823 0.044 0.000 1.000 189 V HN 0.915 nan 8.190 nan 0.000 0.433 190 G N 2.973 111.875 108.800 0.171 0.000 2.452 190 G HA2 0.764 4.726 3.960 0.003 0.000 0.324 190 G HA3 0.764 4.726 3.960 0.003 0.000 0.324 190 G C -0.563 174.432 174.900 0.158 0.000 1.214 190 G CA -0.339 44.860 45.100 0.166 0.000 0.947 190 G HN 0.965 nan 8.290 nan 0.000 0.478 191 S N 0.195 116.009 115.700 0.190 0.000 2.537 191 S HA 0.333 4.805 4.470 0.003 0.000 0.271 191 S C -0.500 174.139 174.600 0.064 0.000 1.148 191 S CA -0.797 57.490 58.200 0.145 0.000 0.868 191 S CB 2.125 65.461 63.200 0.227 0.000 1.115 191 S HN 0.371 nan 8.310 nan 0.000 0.461 192 D N 1.318 121.732 120.400 0.024 0.000 2.363 192 D HA 0.127 4.768 4.640 0.003 0.000 0.226 192 D C 0.706 177.009 176.300 0.005 0.000 1.020 192 D CA 0.264 54.257 54.000 -0.013 0.000 0.892 192 D CB -0.116 40.673 40.800 -0.018 0.000 0.900 192 D HN 0.481 nan 8.370 nan 0.000 0.531 193 L N 1.298 122.559 121.223 0.062 0.000 2.516 193 L HA -0.050 4.292 4.340 0.003 0.000 0.288 193 L C 1.250 178.153 176.870 0.056 0.000 1.246 193 L CA 0.229 55.118 54.840 0.081 0.000 0.844 193 L CB 0.345 42.497 42.059 0.156 0.000 1.106 193 L HN -0.032 nan 8.230 nan 0.000 0.509 194 E N 2.527 122.758 120.200 0.051 0.000 2.328 194 E HA -0.084 4.267 4.350 0.003 0.000 0.265 194 E C 0.960 177.605 176.600 0.073 0.000 1.057 194 E CA -0.213 56.208 56.400 0.036 0.000 0.916 194 E CB 0.742 30.460 29.700 0.030 0.000 0.993 194 E HN 0.539 nan 8.360 nan 0.000 0.446 195 I N 5.226 125.827 120.570 0.053 0.000 2.356 195 I HA -0.316 3.855 4.170 0.003 0.000 0.259 195 I C 1.547 177.744 176.117 0.134 0.000 1.096 195 I CA 2.635 63.994 61.300 0.098 0.000 1.389 195 I CB -0.144 37.892 38.000 0.059 0.000 1.070 195 I HN 0.600 nan 8.210 nan 0.000 0.445 196 G N -0.395 108.460 108.800 0.091 0.000 2.394 196 G HA2 -0.184 3.777 3.960 0.003 0.000 0.215 196 G HA3 -0.184 3.777 3.960 0.003 0.000 0.215 196 G C 1.386 176.337 174.900 0.086 0.000 1.165 196 G CA 0.739 45.886 45.100 0.079 0.000 0.784 196 G HN 0.615 nan 8.290 nan 0.000 0.535 197 Q N -0.155 119.700 119.800 0.092 0.000 2.163 197 Q HA -0.021 4.320 4.340 0.003 0.000 0.198 197 Q C 2.169 178.230 176.000 0.101 0.000 0.954 197 Q CA 1.170 57.023 55.803 0.082 0.000 0.851 197 Q CB -0.502 28.277 28.738 0.068 0.000 0.928 197 Q HN 0.648 nan 8.270 nan 0.000 0.459 198 H N 1.958 121.056 119.070 0.046 0.000 2.357 198 H HA -0.106 4.451 4.556 0.003 0.000 0.296 198 H C 2.041 177.405 175.328 0.060 0.000 1.108 198 H CA 2.315 58.394 56.048 0.053 0.000 1.273 198 H CB 0.156 29.946 29.762 0.047 0.000 1.367 198 H HN 0.111 nan 8.280 nan 0.000 0.498 199 R N -0.747 119.797 120.500 0.073 0.000 2.092 199 R HA -0.088 4.254 4.340 0.003 0.000 0.231 199 R C 2.619 178.920 176.300 0.002 0.000 1.119 199 R CA 1.592 57.705 56.100 0.022 0.000 0.970 199 R CB -0.290 30.061 30.300 0.083 0.000 0.864 199 R HN 0.629 nan 8.270 nan 0.000 0.440 200 T N -0.197 114.376 114.554 0.031 0.000 2.674 200 T HA -0.116 4.236 4.350 0.003 0.000 0.265 200 T C 1.801 176.531 174.700 0.050 0.000 1.039 200 T CA 0.795 62.922 62.100 0.044 0.000 1.150 200 T CB -0.060 68.841 68.868 0.055 0.000 0.864 200 T HN -0.060 nan 8.240 nan 0.000 0.427 201 K N 1.009 121.440 120.400 0.051 0.000 2.103 201 K HA 0.051 4.373 4.320 0.003 0.000 0.207 201 K C 2.293 178.924 176.600 0.052 0.000 1.048 201 K CA 0.737 57.108 56.287 0.140 0.000 0.930 201 K CB -0.699 31.891 32.500 0.150 0.000 0.716 201 K HN 0.408 nan 8.250 nan 0.000 0.444 202 I N 0.934 121.453 120.570 -0.085 0.000 2.133 202 I HA -0.216 3.956 4.170 0.003 0.000 0.238 202 I C 2.334 178.397 176.117 -0.090 0.000 1.074 202 I CA 1.262 62.478 61.300 -0.140 0.000 1.342 202 I CB -1.109 36.794 38.000 -0.162 0.000 1.053 202 I HN 0.168 nan 8.210 nan 0.000 0.404 203 E N 1.271 121.454 120.200 -0.029 0.000 2.160 203 E HA -0.268 4.084 4.350 0.003 0.000 0.195 203 E C 2.074 178.684 176.600 0.018 0.000 0.991 203 E CA 1.649 58.054 56.400 0.009 0.000 0.810 203 E CB -0.244 29.479 29.700 0.037 0.000 0.742 203 E HN 0.506 nan 8.360 nan 0.000 0.466 204 E N -0.523 119.696 120.200 0.032 0.000 2.051 204 E HA -0.200 4.151 4.350 0.003 0.000 0.192 204 E C 2.084 178.694 176.600 0.016 0.000 0.991 204 E CA 1.211 57.661 56.400 0.083 0.000 0.799 204 E CB -0.314 29.489 29.700 0.172 0.000 0.748 204 E HN 0.313 nan 8.360 nan 0.000 0.449 205 L N 2.127 123.225 121.223 -0.210 0.000 2.013 205 L HA -0.239 4.103 4.340 0.003 0.000 0.212 205 L C 2.568 179.314 176.870 -0.207 0.000 1.073 205 L CA 2.509 57.009 54.840 -0.567 0.000 0.753 205 L CB -0.634 40.929 42.059 -0.827 0.000 0.890 205 L HN 0.211 nan 8.230 nan 0.000 0.432 206 R N -1.490 118.948 120.500 -0.103 0.000 2.115 206 R HA -0.149 4.193 4.340 0.003 0.000 0.226 206 R C 2.121 178.452 176.300 0.051 0.000 1.100 206 R CA 1.154 57.243 56.100 -0.019 0.000 0.980 206 R CB -0.759 29.538 30.300 -0.005 0.000 0.875 206 R HN 0.332 nan 8.270 nan 0.000 0.445 207 Q N 0.589 120.428 119.800 0.066 0.000 2.230 207 Q HA -0.146 4.195 4.340 0.003 0.000 0.202 207 Q C 1.726 177.799 176.000 0.122 0.000 0.963 207 Q CA 1.406 57.260 55.803 0.086 0.000 0.866 207 Q CB -0.333 28.453 28.738 0.082 0.000 0.931 207 Q HN 0.560 nan 8.270 nan 0.000 0.452 208 H N -0.905 118.193 119.070 0.047 0.000 2.535 208 H HA 0.083 4.641 4.556 0.003 0.000 0.273 208 H C 1.219 176.661 175.328 0.191 0.000 0.983 208 H CA 0.755 56.874 56.048 0.118 0.000 1.238 208 H CB 0.438 30.254 29.762 0.090 0.000 1.412 208 H HN 0.280 nan 8.280 nan 0.000 0.562 209 L N -0.264 121.097 121.223 0.229 0.000 2.286 209 L HA 0.001 4.343 4.340 0.003 0.000 0.203 209 L C 2.675 179.652 176.870 0.178 0.000 1.068 209 L CA 0.259 55.221 54.840 0.204 0.000 0.811 209 L CB -0.096 42.013 42.059 0.084 0.000 0.989 209 L HN 0.131 nan 8.230 nan 0.000 0.467 210 L N 0.315 121.608 121.223 0.117 0.000 2.083 210 L HA -0.223 4.119 4.340 0.003 0.000 0.209 210 L C 2.811 179.734 176.870 0.087 0.000 1.083 210 L CA 1.517 56.412 54.840 0.092 0.000 0.752 210 L CB -0.234 41.868 42.059 0.072 0.000 0.899 210 L HN 0.238 nan 8.230 nan 0.000 0.433 211 R N -1.160 119.383 120.500 0.072 0.000 2.115 211 R HA -0.222 4.119 4.340 0.003 0.000 0.226 211 R C 1.929 178.232 176.300 0.004 0.000 1.100 211 R CA 1.519 57.623 56.100 0.007 0.000 0.980 211 R CB -0.735 29.535 30.300 -0.050 0.000 0.875 211 R HN 0.536 nan 8.270 nan 0.000 0.445 212 W N 0.783 122.049 121.300 -0.057 0.000 2.825 212 W HA 0.139 4.800 4.660 0.003 0.000 0.243 212 W C 0.149 176.676 176.519 0.014 0.000 1.293 212 W CA 1.181 58.503 57.345 -0.038 0.000 1.403 212 W CB 0.483 29.927 29.460 -0.027 0.000 1.134 212 W HN 0.452 nan 8.180 nan 0.000 0.666 213 G N 1.429 110.387 108.800 0.264 0.000 2.857 213 G HA2 0.123 4.084 3.960 0.003 0.000 0.166 213 G HA3 0.123 4.084 3.960 0.003 0.000 0.166 213 G C -0.903 174.101 174.900 0.174 0.000 1.060 213 G CA -0.525 44.701 45.100 0.210 0.000 0.976 213 G HN 0.644 nan 8.290 nan 0.000 0.549 228 L N -0.319 121.037 121.223 0.221 0.000 2.599 228 L HA 0.187 4.529 4.340 0.003 0.000 0.230 228 L C 1.787 178.691 176.870 0.057 0.000 1.141 228 L CA -0.086 54.794 54.840 0.066 0.000 0.877 228 L CB -1.026 41.059 42.059 0.043 0.000 1.009 228 L HN 0.697 nan 8.230 nan 0.000 0.447 229 W N -0.690 120.648 121.300 0.063 0.000 2.519 229 W HA 0.171 4.833 4.660 0.003 0.000 0.266 229 W C 0.729 177.253 176.519 0.008 0.000 1.253 229 W CA -0.553 56.810 57.345 0.030 0.000 1.274 229 W CB -0.974 28.507 29.460 0.035 0.000 1.114 229 W HN 0.130 nan 8.180 nan 0.000 0.596 230 M N 1.406 120.522 119.600 -0.807 0.000 2.240 230 M HA 0.411 4.892 4.480 0.003 0.000 0.333 230 M C 0.594 176.704 176.300 -0.317 0.000 1.110 230 M CA 1.047 55.890 55.300 -0.762 0.000 1.173 230 M CB 0.751 32.740 32.600 -1.018 0.000 1.458 230 M HN -0.033 nan 8.290 nan 0.000 0.458 231 G N 1.324 109.999 108.800 -0.209 0.000 2.682 231 G HA2 0.554 4.515 3.960 0.003 0.000 0.300 231 G HA3 0.554 4.515 3.960 0.003 0.000 0.300 231 G C -2.513 172.399 174.900 0.021 0.000 1.391 231 G CA -0.265 44.792 45.100 -0.071 0.000 0.990 231 G HN 0.579 nan 8.290 nan 0.000 0.501 232 Y N 1.880 122.114 120.300 -0.110 0.000 2.332 232 Y HA 0.441 4.992 4.550 0.002 0.000 0.326 232 Y C -0.130 175.744 175.900 -0.042 0.000 0.978 232 Y CA -1.806 56.245 58.100 -0.082 0.000 1.205 232 Y CB 1.179 39.584 38.460 -0.093 0.000 1.131 232 Y HN 0.652 nan 8.280 nan 0.000 0.462 233 E N 6.867 126.997 120.200 -0.117 0.000 2.200 233 E HA 0.581 4.932 4.350 0.003 0.000 0.283 233 E C -1.190 175.098 176.600 -0.521 0.000 1.015 233 E CA -0.616 55.624 56.400 -0.267 0.000 0.819 233 E CB 1.782 31.403 29.700 -0.132 0.000 1.081 233 E HN 0.553 nan 8.360 nan 0.000 0.397 234 L N 2.434 123.315 121.223 -0.571 0.000 2.341 234 L HA 0.461 4.803 4.340 0.003 0.000 0.267 234 L C -0.253 176.173 176.870 -0.740 0.000 1.009 234 L CA -1.211 53.331 54.840 -0.496 0.000 0.819 234 L CB 1.752 43.691 42.059 -0.201 0.000 1.323 234 L HN 0.577 nan 8.230 nan 0.000 0.425 235 H N 0.919 119.904 119.070 -0.141 0.000 2.675 235 H HA 0.211 4.769 4.556 0.002 0.000 0.258 235 H C -2.175 172.743 175.328 -0.684 0.000 1.271 235 H CA -1.791 54.084 56.048 -0.288 0.000 1.462 235 H CB 1.379 31.073 29.762 -0.113 0.000 1.467 235 H HN 0.287 nan 8.280 nan 0.000 0.501 236 P HA -0.183 nan 4.420 nan 0.000 0.216 236 P C 1.497 178.426 177.300 -0.619 0.000 1.150 236 P CA 1.383 63.584 63.100 -1.498 0.000 0.843 236 P CB 0.405 31.471 31.700 -1.058 0.000 0.787 237 D N -0.587 119.617 120.400 -0.327 0.000 2.263 237 D HA -0.151 4.490 4.640 0.003 0.000 0.208 237 D C 0.640 176.918 176.300 -0.037 0.000 0.971 237 D CA 1.089 55.005 54.000 -0.139 0.000 0.867 237 D CB -0.425 40.310 40.800 -0.108 0.000 0.929 237 D HN 0.175 nan 8.370 nan 0.000 0.492 238 K N 0.125 120.526 120.400 0.002 0.000 2.981 238 K HA 0.112 4.433 4.320 0.003 0.000 0.213 238 K C -0.491 176.299 176.600 0.317 0.000 1.154 238 K CA -0.542 55.817 56.287 0.120 0.000 1.111 238 K CB 0.014 32.572 32.500 0.096 0.000 0.975 238 K HN 0.099 nan 8.250 nan 0.000 0.462 239 W N 1.131 122.466 121.300 0.059 0.000 2.375 239 W HA 0.195 4.857 4.660 0.003 0.000 0.336 239 W C 0.980 177.547 176.519 0.079 0.000 1.160 239 W CA -1.051 56.339 57.345 0.076 0.000 1.266 239 W CB 0.997 30.487 29.460 0.050 0.000 1.195 239 W HN -0.102 nan 8.180 nan 0.000 0.599 240 T N 3.241 117.938 114.554 0.239 0.000 2.853 240 T HA 0.420 4.771 4.350 0.003 0.000 0.298 240 T C -0.564 174.170 174.700 0.057 0.000 0.978 240 T CA -0.067 62.104 62.100 0.118 0.000 1.152 240 T CB -0.308 68.607 68.868 0.079 0.000 0.914 240 T HN 0.415 nan 8.240 nan 0.000 0.539 241 V N 3.230 123.172 119.914 0.046 0.000 3.087 241 V HA 0.786 4.907 4.120 0.003 0.000 0.306 241 V C -1.737 174.372 176.094 0.024 0.000 1.187 241 V CA -1.070 61.247 62.300 0.027 0.000 0.999 241 V CB 2.481 34.347 31.823 0.072 0.000 1.049 241 V HN 0.755 nan 8.190 nan 0.000 0.431 242 Q N 2.570 122.388 119.800 0.030 0.000 2.263 242 Q HA 0.596 4.937 4.340 0.003 0.000 0.266 242 Q C -2.882 173.190 176.000 0.119 0.000 1.002 242 Q CA -1.065 54.778 55.803 0.066 0.000 0.790 242 Q CB 2.539 31.309 28.738 0.053 0.000 1.272 242 Q HN 0.888 nan 8.270 nan 0.000 0.435 243 P HA 0.514 nan 4.420 nan 0.000 0.283 243 P C -0.404 176.984 177.300 0.146 0.000 1.278 243 P CA -0.654 62.523 63.100 0.129 0.000 0.834 243 P CB 1.398 33.151 31.700 0.087 0.000 1.150 244 I N 0.888 121.540 120.570 0.137 0.000 2.371 244 I HA 0.205 4.377 4.170 0.003 0.000 0.290 244 I C 0.482 176.643 176.117 0.073 0.000 1.028 244 I CA -0.736 60.652 61.300 0.146 0.000 1.345 244 I CB 1.281 39.361 38.000 0.133 0.000 1.407 244 I HN 0.123 nan 8.210 nan 0.000 0.501 245 V N 5.563 125.532 119.914 0.093 0.000 2.680 245 V HA 0.630 4.752 4.120 0.003 0.000 0.309 245 V C -0.519 175.621 176.094 0.076 0.000 1.052 245 V CA -0.838 61.502 62.300 0.066 0.000 0.908 245 V CB 1.817 33.681 31.823 0.067 0.000 1.001 245 V HN 0.520 nan 8.190 nan 0.000 0.431 246 L N 3.422 124.686 121.223 0.068 0.000 2.334 246 L HA 0.660 5.001 4.340 0.003 0.000 0.272 246 L C -2.157 174.789 176.870 0.128 0.000 1.020 246 L CA -1.781 53.120 54.840 0.102 0.000 0.812 246 L CB 1.778 43.889 42.059 0.086 0.000 1.264 246 L HN 0.491 nan 8.230 nan 0.000 0.439 247 P HA 0.174 nan 4.420 nan 0.000 0.272 247 P C -1.177 176.215 177.300 0.153 0.000 1.223 247 P CA -0.332 62.834 63.100 0.109 0.000 0.784 247 P CB 0.545 32.265 31.700 0.033 0.000 0.923 248 E N 1.720 121.939 120.200 0.031 0.000 2.182 248 E HA 0.322 4.674 4.350 0.003 0.000 0.258 248 E C -0.654 175.887 176.600 -0.099 0.000 0.879 248 E CA -0.593 55.842 56.400 0.057 0.000 0.754 248 E CB 1.170 30.897 29.700 0.046 0.000 1.162 248 E HN 0.323 nan 8.360 nan 0.000 0.419 249 K N 1.707 122.002 120.400 -0.175 0.000 2.443 249 K HA 0.310 4.631 4.320 0.003 0.000 0.251 249 K C -0.331 176.156 176.600 -0.187 0.000 0.972 249 K CA -0.831 55.212 56.287 -0.408 0.000 0.833 249 K CB 1.697 33.532 32.500 -1.107 0.000 1.317 249 K HN 0.225 nan 8.250 nan 0.000 0.441 250 D N 0.116 120.416 120.400 -0.167 0.000 2.338 250 D HA -0.029 4.612 4.640 0.003 0.000 0.208 250 D C 0.005 176.299 176.300 -0.010 0.000 0.997 250 D CA 0.872 54.852 54.000 -0.034 0.000 0.880 250 D CB 0.518 41.299 40.800 -0.032 0.000 0.980 250 D HN 0.480 nan 8.370 nan 0.000 0.509 251 S N -0.325 115.297 115.700 -0.130 0.000 2.647 251 S HA 0.511 4.982 4.470 0.003 0.000 0.300 251 S C -1.261 173.256 174.600 -0.138 0.000 1.129 251 S CA -0.951 57.227 58.200 -0.037 0.000 1.029 251 S CB 0.826 64.010 63.200 -0.027 0.000 1.007 251 S HN 0.015 nan 8.310 nan 0.000 0.484 252 W N 2.469 123.770 121.300 0.001 0.000 2.429 252 W HA 0.557 5.218 4.660 0.002 0.000 0.314 252 W C 0.821 177.342 176.519 0.003 0.000 1.062 252 W CA -0.425 56.921 57.345 0.002 0.000 1.211 252 W CB 1.711 31.172 29.460 0.002 0.000 1.305 252 W HN 0.826 nan 8.180 nan 0.000 0.476 253 T N -1.680 112.989 114.554 0.193 0.000 2.881 253 T HA 0.261 4.613 4.350 0.003 0.000 0.278 253 T C 0.907 175.693 174.700 0.144 0.000 0.982 253 T CA -0.766 61.409 62.100 0.125 0.000 0.989 253 T CB 1.187 70.095 68.868 0.067 0.000 1.058 253 T HN 0.210 nan 8.240 nan 0.000 0.529 254 V N 1.521 121.491 119.914 0.094 0.000 2.332 254 V HA -0.204 3.918 4.120 0.003 0.000 0.248 254 V C 2.894 179.040 176.094 0.087 0.000 1.055 254 V CA 2.254 64.601 62.300 0.078 0.000 1.038 254 V CB -1.144 30.710 31.823 0.051 0.000 0.651 254 V HN 1.000 nan 8.190 nan 0.000 0.450 255 N N -0.063 118.685 118.700 0.080 0.000 2.120 255 N HA -0.214 4.527 4.740 0.003 0.000 0.188 255 N C 1.537 177.116 175.510 0.115 0.000 1.024 255 N CA 1.692 54.788 53.050 0.078 0.000 0.852 255 N CB -0.068 38.452 38.487 0.054 0.000 1.003 255 N HN 0.479 nan 8.380 nan 0.000 0.424 256 D N 0.984 121.475 120.400 0.152 0.000 2.117 256 D HA -0.113 4.528 4.640 0.003 0.000 0.197 256 D C 2.054 178.553 176.300 0.330 0.000 0.987 256 D CA 0.792 54.934 54.000 0.237 0.000 0.829 256 D CB -0.227 40.740 40.800 0.278 0.000 0.961 256 D HN 0.425 nan 8.370 nan 0.000 0.460 257 I N 0.864 121.600 120.570 0.277 0.000 2.315 257 I HA -0.239 3.933 4.170 0.003 0.000 0.248 257 I C 2.462 178.628 176.117 0.082 0.000 1.117 257 I CA 0.855 62.235 61.300 0.133 0.000 1.404 257 I CB -0.185 37.840 38.000 0.040 0.000 1.071 257 I HN -0.034 nan 8.210 nan 0.000 0.419 258 Q N 0.772 120.628 119.800 0.092 0.000 2.084 258 Q HA -0.206 4.135 4.340 0.003 0.000 0.202 258 Q C 2.176 178.241 176.000 0.109 0.000 0.978 258 Q CA 1.313 57.163 55.803 0.078 0.000 0.844 258 Q CB -0.098 28.684 28.738 0.073 0.000 0.898 258 Q HN 0.477 nan 8.270 nan 0.000 0.426 259 K N 0.355 120.839 120.400 0.141 0.000 2.097 259 K HA -0.139 4.182 4.320 0.003 0.000 0.205 259 K C 2.086 178.797 176.600 0.184 0.000 1.050 259 K CA 0.756 57.154 56.287 0.185 0.000 0.938 259 K CB -0.127 32.477 32.500 0.174 0.000 0.718 259 K HN 0.088 nan 8.250 nan 0.000 0.442 260 L N 0.930 122.246 121.223 0.154 0.000 2.027 260 L HA -0.128 4.213 4.340 0.003 0.000 0.206 260 L C 2.000 178.870 176.870 0.000 0.000 1.074 260 L CA 1.445 56.344 54.840 0.099 0.000 0.745 260 L CB -0.343 41.773 42.059 0.095 0.000 0.898 260 L HN -0.145 nan 8.230 nan 0.000 0.433 261 V N 0.338 120.248 119.914 -0.007 0.000 2.407 261 V HA -0.203 3.918 4.120 0.003 0.000 0.248 261 V C 2.614 178.677 176.094 -0.052 0.000 1.055 261 V CA 1.739 64.014 62.300 -0.042 0.000 1.049 261 V CB -1.567 30.239 31.823 -0.028 0.000 0.662 261 V HN 0.652 nan 8.190 nan 0.000 0.455 262 G N -0.519 108.287 108.800 0.011 0.000 2.421 262 G HA2 -0.311 3.651 3.960 0.003 0.000 0.216 262 G HA3 -0.311 3.651 3.960 0.003 0.000 0.216 262 G C 1.647 176.319 174.900 -0.381 0.000 1.171 262 G CA 1.078 46.191 45.100 0.022 0.000 0.775 262 G HN 0.495 nan 8.290 nan 0.000 0.543 263 K N -0.132 120.016 120.400 -0.419 0.000 2.097 263 K HA 0.128 4.449 4.320 0.003 0.000 0.205 263 K C 2.476 178.835 176.600 -0.402 0.000 1.050 263 K CA 0.602 56.368 56.287 -0.868 0.000 0.938 263 K CB -0.227 32.056 32.500 -0.362 0.000 0.718 263 K HN 0.320 nan 8.250 nan 0.000 0.442 264 L N 0.844 121.931 121.223 -0.226 0.000 2.141 264 L HA -0.157 4.185 4.340 0.003 0.000 0.209 264 L C 2.224 178.983 176.870 -0.186 0.000 1.094 264 L CA 1.099 55.840 54.840 -0.165 0.000 0.763 264 L CB -0.447 41.536 42.059 -0.127 0.000 0.908 264 L HN 0.322 nan 8.230 nan 0.000 0.437 265 N N -0.329 118.256 118.700 -0.193 0.000 2.188 265 N HA -0.266 4.476 4.740 0.003 0.000 0.184 265 N C 1.681 177.078 175.510 -0.187 0.000 1.018 265 N CA 1.312 54.265 53.050 -0.162 0.000 0.858 265 N CB -0.233 38.189 38.487 -0.109 0.000 0.989 265 N HN 0.382 nan 8.380 nan 0.000 0.426 266 W N 1.151 122.141 121.300 -0.516 0.000 2.379 266 W HA 0.046 4.708 4.660 0.003 0.000 0.307 266 W C 2.160 178.480 176.519 -0.332 0.000 1.200 266 W CA 2.039 59.089 57.345 -0.492 0.000 1.297 266 W CB -0.786 28.105 29.460 -0.949 0.000 1.140 266 W HN 0.100 nan 8.180 nan 0.000 0.507 267 A N 0.526 123.053 122.820 -0.489 0.000 1.972 267 A HA -0.227 4.095 4.320 0.003 0.000 0.219 267 A C 2.104 179.447 177.584 -0.402 0.000 1.169 267 A CA 2.495 54.161 52.037 -0.618 0.000 0.635 267 A CB -1.567 17.263 19.000 -0.283 0.000 0.810 267 A HN 0.478 nan 8.150 nan 0.000 0.446 268 S N -0.411 115.102 115.700 -0.312 0.000 2.500 268 S HA -0.214 4.258 4.470 0.003 0.000 0.239 268 S C 1.630 176.034 174.600 -0.326 0.000 0.989 268 S CA 1.345 59.402 58.200 -0.238 0.000 0.951 268 S CB -0.486 62.601 63.200 -0.188 0.000 0.759 268 S HN 0.727 nan 8.310 nan 0.000 0.523 269 Q N -0.003 119.487 119.800 -0.518 0.000 2.389 269 Q HA 0.275 4.617 4.340 0.003 0.000 0.204 269 Q C 1.743 177.306 176.000 -0.729 0.000 0.944 269 Q CA 0.879 56.238 55.803 -0.740 0.000 0.908 269 Q CB -0.123 27.882 28.738 -1.221 0.000 1.002 269 Q HN 0.652 nan 8.270 nan 0.000 0.493 270 I N -1.515 118.721 120.570 -0.557 0.000 3.039 270 I HA -0.026 4.145 4.170 0.003 0.000 0.270 270 I C -0.126 175.716 176.117 -0.459 0.000 1.150 270 I CA 0.315 61.352 61.300 -0.439 0.000 1.448 270 I CB 0.572 38.332 38.000 -0.399 0.000 1.197 270 I HN 0.002 nan 8.210 nan 0.000 0.450 271 Y N 1.149 121.295 120.300 -0.257 0.000 2.388 271 Y HA 0.303 4.855 4.550 0.002 0.000 0.328 271 Y C -1.860 173.932 175.900 -0.181 0.000 0.963 271 Y CA -2.239 55.755 58.100 -0.175 0.000 1.240 271 Y CB 0.640 39.009 38.460 -0.152 0.000 1.118 271 Y HN -0.120 nan 8.280 nan 0.000 0.484 272 P HA -0.148 nan 4.420 nan 0.000 0.216 272 P C 1.536 178.799 177.300 -0.062 0.000 1.150 272 P CA 1.667 64.718 63.100 -0.083 0.000 0.837 272 P CB 0.362 32.000 31.700 -0.104 0.000 0.786 273 G N -0.994 107.787 108.800 -0.031 0.000 2.848 273 G HA2 -0.048 3.914 3.960 0.003 0.000 0.208 273 G HA3 -0.048 3.914 3.960 0.003 0.000 0.208 273 G C 0.572 175.438 174.900 -0.057 0.000 1.152 273 G CA -0.122 44.952 45.100 -0.043 0.000 0.789 273 G HN 0.153 nan 8.290 nan 0.000 0.531 274 I N 1.328 121.859 120.570 -0.064 0.000 2.683 274 I HA 0.161 4.333 4.170 0.003 0.000 0.286 274 I C -0.166 175.897 176.117 -0.090 0.000 1.175 274 I CA 0.401 61.647 61.300 -0.090 0.000 1.429 274 I CB 0.728 38.661 38.000 -0.111 0.000 1.371 274 I HN -0.047 nan 8.210 nan 0.000 0.569 275 K N 5.809 126.155 120.400 -0.090 0.000 2.371 275 K HA 0.441 4.763 4.320 0.003 0.000 0.251 275 K C 0.297 176.844 176.600 -0.089 0.000 0.934 275 K CA -0.530 55.707 56.287 -0.083 0.000 0.798 275 K CB 2.776 35.232 32.500 -0.073 0.000 1.204 275 K HN 0.418 nan 8.250 nan 0.000 0.427 276 V N -1.140 118.724 119.914 -0.083 0.000 3.398 276 V HA 0.165 4.287 4.120 0.003 0.000 0.298 276 V C 1.420 177.469 176.094 -0.075 0.000 1.496 276 V CA -0.180 62.068 62.300 -0.085 0.000 1.044 276 V CB 0.266 32.039 31.823 -0.082 0.000 0.880 276 V HN 0.488 nan 8.190 nan 0.000 0.443 277 R N 0.996 121.456 120.500 -0.066 0.000 2.115 277 R HA -0.171 4.171 4.340 0.003 0.000 0.239 277 R C 2.225 178.488 176.300 -0.061 0.000 1.133 277 R CA 2.269 58.335 56.100 -0.057 0.000 0.935 277 R CB -0.851 29.419 30.300 -0.050 0.000 0.853 277 R HN 0.540 nan 8.270 nan 0.000 0.433 278 Q N 0.466 120.225 119.800 -0.069 0.000 2.170 278 Q HA -0.041 4.301 4.340 0.003 0.000 0.203 278 Q C 2.383 178.329 176.000 -0.090 0.000 0.976 278 Q CA 1.122 56.881 55.803 -0.074 0.000 0.858 278 Q CB -0.236 28.456 28.738 -0.077 0.000 0.907 278 Q HN 0.394 nan 8.270 nan 0.000 0.433 279 L N -0.242 120.917 121.223 -0.107 0.000 2.131 279 L HA -0.067 4.275 4.340 0.003 0.000 0.206 279 L C 2.356 179.168 176.870 -0.097 0.000 1.087 279 L CA 0.648 55.409 54.840 -0.133 0.000 0.767 279 L CB -0.263 41.697 42.059 -0.165 0.000 0.917 279 L HN 0.036 nan 8.230 nan 0.000 0.441 280 S N -0.181 115.475 115.700 -0.074 0.000 2.382 280 S HA -0.177 4.295 4.470 0.003 0.000 0.228 280 S C 1.916 176.490 174.600 -0.043 0.000 1.027 280 S CA 1.133 59.303 58.200 -0.051 0.000 0.991 280 S CB -0.123 63.052 63.200 -0.042 0.000 0.823 280 S HN 0.317 nan 8.310 nan 0.000 0.469 281 K N 1.035 121.406 120.400 -0.048 0.000 2.074 281 K HA -0.092 4.229 4.320 0.003 0.000 0.209 281 K C 1.853 178.431 176.600 -0.036 0.000 1.048 281 K CA 1.177 57.441 56.287 -0.039 0.000 0.926 281 K CB -0.507 31.968 32.500 -0.042 0.000 0.713 281 K HN 0.348 nan 8.250 nan 0.000 0.444 282 L N 0.744 121.939 121.223 -0.048 0.000 2.261 282 L HA -0.170 4.171 4.340 0.003 0.000 0.216 282 L C 1.761 178.618 176.870 -0.023 0.000 1.114 282 L CA 0.834 55.649 54.840 -0.041 0.000 0.777 282 L CB -0.311 41.709 42.059 -0.065 0.000 0.910 282 L HN 0.196 nan 8.230 nan 0.000 0.440 283 L N 0.334 121.544 121.223 -0.022 0.000 2.741 283 L HA 0.116 4.457 4.340 0.003 0.000 0.237 283 L C 0.936 177.803 176.870 -0.005 0.000 1.178 283 L CA -0.222 54.613 54.840 -0.008 0.000 0.973 283 L CB -0.170 41.885 42.059 -0.006 0.000 1.255 283 L HN 0.277 nan 8.230 nan 0.000 0.498 284 R N 0.498 120.992 120.500 -0.009 0.000 2.234 284 R HA 0.625 4.967 4.340 0.003 0.000 0.324 284 R C -0.097 176.202 176.300 -0.003 0.000 1.054 284 R CA 0.233 56.329 56.100 -0.007 0.000 0.912 284 R CB 0.863 31.157 30.300 -0.011 0.000 1.030 284 R HN 0.047 nan 8.270 nan 0.000 0.455 285 G N 1.591 110.391 108.800 -0.000 0.000 2.539 285 G HA2 -0.153 3.808 3.960 0.003 0.000 0.686 285 G HA3 -0.153 3.808 3.960 0.003 0.000 0.686 285 G C -0.469 174.434 174.900 0.006 0.000 1.258 285 G CA -0.437 44.664 45.100 0.002 0.000 0.846 285 G HN 0.822 nan 8.290 nan 0.000 0.647 286 T N -0.668 113.890 114.554 0.006 0.000 3.316 286 T HA 0.621 4.972 4.350 0.003 0.000 0.341 286 T C 0.307 175.013 174.700 0.010 0.000 1.397 286 T CA -0.336 61.769 62.100 0.008 0.000 1.085 286 T CB 0.294 69.166 68.868 0.007 0.000 1.160 286 T HN 0.632 nan 8.240 nan 0.000 0.694 287 K N 1.763 122.170 120.400 0.012 0.000 2.095 287 K HA 0.698 5.020 4.320 0.003 0.000 0.252 287 K C 0.429 177.039 176.600 0.017 0.000 0.977 287 K CA -0.971 55.325 56.287 0.015 0.000 0.900 287 K CB 1.383 33.894 32.500 0.017 0.000 1.060 287 K HN 0.642 nan 8.250 nan 0.000 0.449 288 A N 2.268 125.098 122.820 0.016 0.000 2.511 288 A HA 0.041 4.362 4.320 0.003 0.000 0.242 288 A C 1.205 178.802 177.584 0.022 0.000 1.069 288 A CA -0.100 51.947 52.037 0.016 0.000 0.763 288 A CB -0.128 18.881 19.000 0.015 0.000 1.001 288 A HN 0.832 nan 8.150 nan 0.000 0.498 289 L N 1.847 123.083 121.223 0.021 0.000 2.191 289 L HA -0.150 4.191 4.340 0.003 0.000 0.212 289 L C 2.498 179.386 176.870 0.030 0.000 1.103 289 L CA 1.955 56.811 54.840 0.027 0.000 0.769 289 L CB -0.481 41.592 42.059 0.024 0.000 0.908 289 L HN 0.995 nan 8.230 nan 0.000 0.438 290 T N -4.098 110.470 114.554 0.023 0.000 3.107 290 T HA -0.001 4.351 4.350 0.003 0.000 0.249 290 T C 0.606 175.321 174.700 0.025 0.000 1.096 290 T CA -0.332 61.781 62.100 0.021 0.000 1.012 290 T CB -0.089 68.787 68.868 0.013 0.000 0.977 290 T HN 0.254 nan 8.240 nan 0.000 0.527 291 E N 1.516 121.733 120.200 0.029 0.000 2.344 291 E HA 0.300 4.651 4.350 0.003 0.000 0.270 291 E C -0.732 175.894 176.600 0.045 0.000 1.021 291 E CA -0.563 55.855 56.400 0.031 0.000 0.887 291 E CB 0.851 30.567 29.700 0.027 0.000 0.997 291 E HN 0.094 nan 8.360 nan 0.000 0.429 292 V N 6.222 126.162 119.914 0.044 0.000 2.508 292 V HA 0.105 4.226 4.120 0.003 0.000 0.281 292 V C 0.139 176.274 176.094 0.069 0.000 1.041 292 V CA -0.258 62.080 62.300 0.063 0.000 1.016 292 V CB 0.774 32.627 31.823 0.049 0.000 0.984 292 V HN 0.581 nan 8.190 nan 0.000 0.478 293 I N 7.659 128.287 120.570 0.098 0.000 2.362 293 I HA 0.412 4.583 4.170 0.003 0.000 0.289 293 I C -2.100 174.071 176.117 0.091 0.000 0.994 293 I CA -2.801 58.545 61.300 0.077 0.000 1.158 293 I CB 1.680 39.716 38.000 0.061 0.000 1.315 293 I HN 0.439 nan 8.210 nan 0.000 0.451 294 P HA 0.284 nan 4.420 nan 0.000 0.280 294 P C -0.640 176.672 177.300 0.020 0.000 1.244 294 P CA -0.415 62.721 63.100 0.059 0.000 0.784 294 P CB 1.196 32.920 31.700 0.039 0.000 0.913 295 L N 3.090 124.317 121.223 0.008 0.000 2.367 295 L HA 0.188 4.529 4.340 0.003 0.000 0.275 295 L C 1.706 178.550 176.870 -0.044 0.000 1.129 295 L CA -0.348 54.452 54.840 -0.066 0.000 0.839 295 L CB 0.353 42.334 42.059 -0.130 0.000 1.133 295 L HN 0.480 nan 8.230 nan 0.000 0.453 296 T N -1.420 113.100 114.554 -0.056 0.000 2.726 296 T HA 0.072 4.424 4.350 0.003 0.000 0.294 296 T C 0.966 175.638 174.700 -0.046 0.000 1.013 296 T CA -0.684 61.391 62.100 -0.042 0.000 0.996 296 T CB 1.180 70.022 68.868 -0.044 0.000 1.016 296 T HN 0.503 nan 8.240 nan 0.000 0.529 297 E N 0.438 120.617 120.200 -0.035 0.000 2.158 297 E HA -0.054 4.298 4.350 0.003 0.000 0.191 297 E C 2.113 178.687 176.600 -0.044 0.000 0.982 297 E CA 0.941 57.321 56.400 -0.033 0.000 0.823 297 E CB -0.214 29.472 29.700 -0.023 0.000 0.766 297 E HN 0.751 nan 8.360 nan 0.000 0.468 298 E N 0.942 121.114 120.200 -0.046 0.000 2.077 298 E HA -0.109 4.242 4.350 0.003 0.000 0.193 298 E C 1.909 178.467 176.600 -0.069 0.000 0.989 298 E CA 1.298 57.667 56.400 -0.051 0.000 0.800 298 E CB -0.220 29.452 29.700 -0.047 0.000 0.746 298 E HN 0.228 nan 8.360 nan 0.000 0.452 299 A N 0.723 123.492 122.820 -0.085 0.000 1.929 299 A HA -0.171 4.151 4.320 0.003 0.000 0.216 299 A C 2.055 179.558 177.584 -0.136 0.000 1.176 299 A CA 1.217 53.181 52.037 -0.121 0.000 0.628 299 A CB -0.284 18.628 19.000 -0.147 0.000 0.816 299 A HN 0.153 nan 8.150 nan 0.000 0.444 300 E N -0.723 119.412 120.200 -0.109 0.000 2.072 300 E HA -0.173 4.178 4.350 0.003 0.000 0.191 300 E C 1.937 178.494 176.600 -0.072 0.000 0.985 300 E CA 1.245 57.589 56.400 -0.093 0.000 0.801 300 E CB -0.146 29.522 29.700 -0.054 0.000 0.750 300 E HN 0.505 nan 8.360 nan 0.000 0.452 301 L N 1.525 122.712 121.223 -0.061 0.000 2.056 301 L HA -0.157 4.184 4.340 0.003 0.000 0.207 301 L C 2.163 178.996 176.870 -0.061 0.000 1.078 301 L CA 1.913 56.723 54.840 -0.051 0.000 0.749 301 L CB -0.427 41.606 42.059 -0.043 0.000 0.901 301 L HN 0.074 nan 8.230 nan 0.000 0.433 302 E N -0.754 119.401 120.200 -0.075 0.000 2.085 302 E HA -0.273 4.078 4.350 0.003 0.000 0.194 302 E C 2.187 178.732 176.600 -0.093 0.000 0.994 302 E CA 1.520 57.870 56.400 -0.083 0.000 0.801 302 E CB -0.234 29.411 29.700 -0.092 0.000 0.743 302 E HN 0.467 nan 8.360 nan 0.000 0.453 303 L N 0.663 121.820 121.223 -0.110 0.000 2.093 303 L HA -0.062 4.280 4.340 0.003 0.000 0.208 303 L C 2.201 179.028 176.870 -0.072 0.000 1.085 303 L CA 2.073 56.846 54.840 -0.112 0.000 0.755 303 L CB -0.638 41.330 42.059 -0.151 0.000 0.904 303 L HN 0.163 nan 8.230 nan 0.000 0.435 304 A N -0.615 122.171 122.820 -0.057 0.000 1.877 304 A HA -0.213 4.109 4.320 0.003 0.000 0.216 304 A C 2.127 179.683 177.584 -0.047 0.000 1.186 304 A CA 1.747 53.760 52.037 -0.039 0.000 0.620 304 A CB -0.625 18.358 19.000 -0.029 0.000 0.822 304 A HN 0.608 nan 8.150 nan 0.000 0.443 305 E N 0.077 120.245 120.200 -0.054 0.000 2.077 305 E HA -0.184 4.167 4.350 0.003 0.000 0.193 305 E C 1.716 178.272 176.600 -0.073 0.000 0.989 305 E CA 1.147 57.513 56.400 -0.057 0.000 0.800 305 E CB -0.246 29.420 29.700 -0.056 0.000 0.746 305 E HN 0.539 nan 8.360 nan 0.000 0.452 306 N N 0.930 119.579 118.700 -0.085 0.000 2.142 306 N HA -0.108 4.634 4.740 0.003 0.000 0.186 306 N C 1.708 177.145 175.510 -0.122 0.000 1.023 306 N CA 0.835 53.819 53.050 -0.110 0.000 0.852 306 N CB -0.194 38.226 38.487 -0.111 0.000 0.998 306 N HN 0.134 nan 8.380 nan 0.000 0.424 307 R N 0.895 121.343 120.500 -0.086 0.000 2.091 307 R HA -0.060 4.282 4.340 0.003 0.000 0.238 307 R C 1.787 178.036 176.300 -0.085 0.000 1.136 307 R CA 0.926 56.982 56.100 -0.073 0.000 0.959 307 R CB -0.002 30.278 30.300 -0.034 0.000 0.856 307 R HN 0.255 nan 8.270 nan 0.000 0.437 308 E N 0.694 120.851 120.200 -0.072 0.000 2.051 308 E HA -0.169 4.183 4.350 0.003 0.000 0.192 308 E C 2.068 178.616 176.600 -0.086 0.000 0.991 308 E CA 1.065 57.428 56.400 -0.061 0.000 0.799 308 E CB -0.191 29.483 29.700 -0.043 0.000 0.748 308 E HN 0.369 nan 8.360 nan 0.000 0.449 309 I N 0.978 121.478 120.570 -0.117 0.000 2.264 309 I HA -0.272 3.899 4.170 0.003 0.000 0.248 309 I C 2.247 178.169 176.117 -0.326 0.000 1.111 309 I CA 0.884 62.094 61.300 -0.151 0.000 1.382 309 I CB -0.196 37.711 38.000 -0.155 0.000 1.060 309 I HN 0.044 nan 8.210 nan 0.000 0.418 310 L N 0.219 121.208 121.223 -0.391 0.000 2.551 310 L HA -0.116 4.225 4.340 0.003 0.000 0.228 310 L C 1.972 178.693 176.870 -0.249 0.000 1.153 310 L CA 0.846 55.369 54.840 -0.529 0.000 0.851 310 L CB -0.369 41.478 42.059 -0.355 0.000 0.959 310 L HN 0.182 nan 8.230 nan 0.000 0.451 311 K N -0.162 120.163 120.400 -0.125 0.000 2.393 311 K HA 0.110 4.432 4.320 0.003 0.000 0.193 311 K C 0.089 176.703 176.600 0.024 0.000 1.026 311 K CA 0.099 56.368 56.287 -0.030 0.000 1.064 311 K CB 0.375 32.865 32.500 -0.018 0.000 0.833 311 K HN 0.367 nan 8.250 nan 0.000 0.521 312 E N 1.902 122.130 120.200 0.047 0.000 2.248 312 E HA 0.186 4.538 4.350 0.003 0.000 0.272 312 E C -2.392 174.352 176.600 0.240 0.000 1.008 312 E CA -2.255 54.221 56.400 0.126 0.000 0.856 312 E CB 0.844 30.621 29.700 0.129 0.000 1.120 312 E HN -0.028 nan 8.360 nan 0.000 0.397 313 P HA 0.002 nan 4.420 nan 0.000 0.272 313 P C -0.328 177.052 177.300 0.134 0.000 1.230 313 P CA -0.239 62.957 63.100 0.161 0.000 0.788 313 P CB 0.573 32.332 31.700 0.099 0.000 0.949 314 V N 2.726 122.644 119.914 0.006 0.000 2.637 314 V HA 0.006 4.128 4.120 0.003 0.000 0.296 314 V C 1.212 177.276 176.094 -0.050 0.000 1.046 314 V CA -0.093 62.087 62.300 -0.199 0.000 1.066 314 V CB -0.431 31.236 31.823 -0.261 0.000 0.968 314 V HN 0.620 nan 8.190 nan 0.000 0.483 315 H N 3.697 122.684 119.070 -0.139 0.000 2.707 315 H HA 0.225 4.783 4.556 0.003 0.000 0.359 315 H C 1.134 176.448 175.328 -0.023 0.000 1.113 315 H CA 0.906 56.920 56.048 -0.056 0.000 1.422 315 H CB 1.094 30.823 29.762 -0.056 0.000 1.443 315 H HN 0.967 nan 8.280 nan 0.000 0.591 316 G N 3.971 112.503 108.800 -0.446 0.000 2.323 316 G HA2 -0.221 3.740 3.960 0.003 0.000 0.292 316 G HA3 -0.221 3.740 3.960 0.003 0.000 0.292 316 G C -0.256 174.684 174.900 0.067 0.000 1.040 316 G CA 0.513 45.522 45.100 -0.153 0.000 0.942 316 G HN 0.488 nan 8.290 nan 0.000 0.506 317 V N 1.155 121.095 119.914 0.044 0.000 2.370 317 V HA 0.734 4.856 4.120 0.003 0.000 0.283 317 V C 0.064 176.244 176.094 0.145 0.000 1.023 317 V CA -0.356 61.970 62.300 0.044 0.000 0.857 317 V CB 0.725 32.557 31.823 0.015 0.000 0.985 317 V HN 0.698 nan 8.190 nan 0.000 0.443 318 Y N 3.714 124.026 120.300 0.021 0.000 2.571 318 Y HA 0.705 5.256 4.550 0.003 0.000 0.341 318 Y C -1.381 174.568 175.900 0.083 0.000 1.076 318 Y CA -1.822 56.310 58.100 0.053 0.000 1.029 318 Y CB 1.267 39.732 38.460 0.009 0.000 1.308 318 Y HN 0.542 nan 8.280 nan 0.000 0.461 319 Y N 2.754 123.091 120.300 0.062 0.000 2.313 319 Y HA 0.496 5.048 4.550 0.002 0.000 0.332 319 Y C -0.942 174.993 175.900 0.058 0.000 1.071 319 Y CA -0.773 57.303 58.100 -0.040 0.000 1.169 319 Y CB 1.190 39.692 38.460 0.069 0.000 1.192 319 Y HN 0.804 nan 8.280 nan 0.000 0.487 320 D N 8.131 128.046 120.400 -0.808 0.000 2.453 320 D HA 0.338 4.979 4.640 0.003 0.000 0.238 320 D C -2.266 173.456 176.300 -0.963 0.000 1.088 320 D CA -2.652 50.992 54.000 -0.594 0.000 0.854 320 D CB 2.114 42.776 40.800 -0.231 0.000 1.076 320 D HN 0.325 nan 8.370 nan 0.000 0.533 321 P HA -0.135 nan 4.420 nan 0.000 0.220 321 P C 1.027 178.205 177.300 -0.202 0.000 1.144 321 P CA 1.034 63.898 63.100 -0.394 0.000 0.800 321 P CB 0.247 31.909 31.700 -0.065 0.000 0.772 322 S N -2.898 112.685 115.700 -0.196 0.000 2.575 322 S HA 0.134 4.606 4.470 0.003 0.000 0.215 322 S C 0.689 175.214 174.600 -0.125 0.000 0.966 322 S CA -0.070 58.062 58.200 -0.114 0.000 0.911 322 S CB -0.411 62.741 63.200 -0.080 0.000 0.780 322 S HN 0.048 nan 8.310 nan 0.000 0.514 323 K N 1.490 121.773 120.400 -0.194 0.000 2.156 323 K HA 0.439 4.760 4.320 0.003 0.000 0.250 323 K C -1.075 175.420 176.600 -0.175 0.000 0.955 323 K CA -0.838 55.344 56.287 -0.175 0.000 0.855 323 K CB 0.717 33.094 32.500 -0.204 0.000 1.101 323 K HN 0.094 nan 8.250 nan 0.000 0.434 324 D N 1.426 121.733 120.400 -0.154 0.000 2.362 324 D HA 0.151 4.793 4.640 0.003 0.000 0.242 324 D C -0.225 175.928 176.300 -0.244 0.000 1.132 324 D CA -0.008 53.890 54.000 -0.169 0.000 0.907 324 D CB 0.715 41.424 40.800 -0.152 0.000 1.195 324 D HN 0.197 nan 8.370 nan 0.000 0.429 325 L N 1.827 122.874 121.223 -0.293 0.000 2.307 325 L HA 0.446 4.787 4.340 0.003 0.000 0.282 325 L C 0.041 176.622 176.870 -0.481 0.000 1.051 325 L CA -0.581 54.000 54.840 -0.432 0.000 0.804 325 L CB 1.009 42.763 42.059 -0.509 0.000 1.197 325 L HN 0.142 nan 8.230 nan 0.000 0.431 326 I N 2.587 122.771 120.570 -0.642 0.000 2.433 326 I HA 0.579 4.750 4.170 0.003 0.000 0.292 326 I C -0.176 175.471 176.117 -0.784 0.000 1.001 326 I CA -0.469 60.395 61.300 -0.727 0.000 1.119 326 I CB 2.015 39.490 38.000 -0.874 0.000 1.289 326 I HN 0.603 nan 8.210 nan 0.000 0.438 327 A N 5.798 128.233 122.820 -0.641 0.000 2.319 327 A HA 0.648 4.970 4.320 0.003 0.000 0.310 327 A C -0.708 176.744 177.584 -0.219 0.000 1.152 327 A CA -0.522 51.223 52.037 -0.486 0.000 0.783 327 A CB 0.834 19.360 19.000 -0.790 0.000 1.184 327 A HN 0.739 nan 8.150 nan 0.000 0.474 328 E N 1.618 121.800 120.200 -0.030 0.000 2.195 328 E HA 0.633 4.985 4.350 0.003 0.000 0.271 328 E C -1.126 175.565 176.600 0.151 0.000 0.923 328 E CA -0.421 56.028 56.400 0.083 0.000 0.790 328 E CB 2.130 31.914 29.700 0.140 0.000 1.155 328 E HN 0.633 nan 8.360 nan 0.000 0.402 329 I N 2.213 122.892 120.570 0.181 0.000 2.545 329 I HA 0.250 4.421 4.170 0.003 0.000 0.292 329 I C -0.887 175.377 176.117 0.245 0.000 1.040 329 I CA -0.918 60.533 61.300 0.251 0.000 1.068 329 I CB 1.976 40.142 38.000 0.278 0.000 1.251 329 I HN 0.341 nan 8.210 nan 0.000 0.424 330 Q N 4.270 124.221 119.800 0.251 0.000 2.353 330 Q HA 0.384 4.725 4.340 0.003 0.000 0.268 330 Q C -0.774 175.275 176.000 0.081 0.000 1.045 330 Q CA -0.817 55.078 55.803 0.153 0.000 0.811 330 Q CB 2.523 31.309 28.738 0.080 0.000 1.305 330 Q HN 0.355 nan 8.270 nan 0.000 0.447 331 K N 1.957 122.275 120.400 -0.138 0.000 2.316 331 K HA 0.110 4.431 4.320 0.003 0.000 0.289 331 K C -0.039 176.291 176.600 -0.450 0.000 1.070 331 K CA -0.033 55.828 56.287 -0.709 0.000 0.928 331 K CB 0.667 32.751 32.500 -0.694 0.000 1.039 331 K HN 0.541 nan 8.250 nan 0.000 0.480 332 Q N 2.544 122.059 119.800 -0.475 0.000 2.356 332 Q HA 0.147 4.488 4.340 0.003 0.000 0.205 332 Q C 0.424 176.275 176.000 -0.248 0.000 0.901 332 Q CA 0.539 56.185 55.803 -0.262 0.000 0.938 332 Q CB 1.033 29.678 28.738 -0.154 0.000 1.081 332 Q HN 1.012 nan 8.270 nan 0.000 0.517 333 G N 1.430 110.023 108.800 -0.345 0.000 2.699 333 G HA2 -0.250 3.712 3.960 0.003 0.000 0.686 333 G HA3 -0.250 3.712 3.960 0.003 0.000 0.686 333 G C -0.464 174.343 174.900 -0.154 0.000 1.301 333 G CA -0.294 44.672 45.100 -0.224 0.000 0.816 333 G HN 0.258 nan 8.290 nan 0.000 0.595 334 Q N -1.471 118.279 119.800 -0.082 0.000 2.481 334 Q HA -0.132 4.209 4.340 0.003 0.000 0.272 334 Q C 1.654 177.661 176.000 0.012 0.000 1.157 334 Q CA 2.120 57.912 55.803 -0.018 0.000 0.935 334 Q CB -1.754 26.975 28.738 -0.015 0.000 1.338 334 Q HN 2.893 nan 8.270 nan 0.000 0.494 335 G N -0.667 108.139 108.800 0.010 0.000 2.155 335 G HA2 -0.342 3.620 3.960 0.003 0.000 0.257 335 G HA3 -0.342 3.620 3.960 0.003 0.000 0.257 335 G C -0.031 174.966 174.900 0.162 0.000 0.983 335 G CA 0.684 45.867 45.100 0.138 0.000 0.676 335 G HN 0.419 nan 8.290 nan 0.000 0.528 336 Q N -1.273 118.498 119.800 -0.049 0.000 2.245 336 Q HA 0.631 4.973 4.340 0.003 0.000 0.256 336 Q C -0.761 175.130 176.000 -0.182 0.000 0.942 336 Q CA -0.488 55.334 55.803 0.032 0.000 0.896 336 Q CB 1.278 30.020 28.738 0.007 0.000 1.272 336 Q HN 0.362 nan 8.270 nan 0.000 0.442 337 W N 0.510 121.888 121.300 0.130 0.000 3.022 337 W HA 0.396 5.058 4.660 0.003 0.000 0.335 337 W C -0.458 176.116 176.519 0.091 0.000 1.133 337 W CA -0.502 56.919 57.345 0.126 0.000 1.219 337 W CB 1.786 31.358 29.460 0.187 0.000 1.409 337 W HN 0.506 nan 8.180 nan 0.000 0.507 338 T N -0.386 114.318 114.554 0.250 0.000 2.932 338 T HA 0.862 5.214 4.350 0.003 0.000 0.289 338 T C -1.217 173.561 174.700 0.129 0.000 1.039 338 T CA -0.780 61.367 62.100 0.079 0.000 1.024 338 T CB 2.025 70.898 68.868 0.010 0.000 1.090 338 T HN 0.531 nan 8.240 nan 0.000 0.496 339 Y N -1.084 119.125 120.300 -0.151 0.000 2.624 339 Y HA 0.769 5.320 4.550 0.002 0.000 0.334 339 Y C -1.767 174.014 175.900 -0.199 0.000 1.155 339 Y CA -1.394 56.625 58.100 -0.135 0.000 1.046 339 Y CB 1.351 39.758 38.460 -0.088 0.000 1.316 339 Y HN 0.631 nan 8.280 nan 0.000 0.457 340 Q N 2.510 122.288 119.800 -0.037 0.000 2.359 340 Q HA 0.706 5.048 4.340 0.003 0.000 0.274 340 Q C -1.557 174.490 176.000 0.078 0.000 1.074 340 Q CA -0.582 55.184 55.803 -0.061 0.000 0.810 340 Q CB 3.332 32.010 28.738 -0.100 0.000 1.342 340 Q HN 0.760 nan 8.270 nan 0.000 0.427 341 I N 3.214 123.825 120.570 0.069 0.000 2.436 341 I HA 0.624 4.796 4.170 0.003 0.000 0.289 341 I C -1.144 174.935 176.117 -0.063 0.000 1.010 341 I CA -1.024 60.223 61.300 -0.089 0.000 1.098 341 I CB 0.879 38.871 38.000 -0.013 0.000 1.266 341 I HN 0.682 nan 8.210 nan 0.000 0.434 342 Y N 3.046 123.220 120.300 -0.209 0.000 2.725 342 Y HA 0.462 5.013 4.550 0.003 0.000 0.333 342 Y C -0.330 175.418 175.900 -0.253 0.000 1.242 342 Y CA -0.912 57.061 58.100 -0.211 0.000 1.059 342 Y CB 1.038 39.405 38.460 -0.155 0.000 1.306 342 Y HN 0.434 nan 8.280 nan 0.000 0.454 343 Q N -0.395 119.386 119.800 -0.031 0.000 2.422 343 Q HA 0.260 4.602 4.340 0.003 0.000 0.255 343 Q C -0.655 175.377 176.000 0.053 0.000 0.864 343 Q CA 0.177 55.907 55.803 -0.122 0.000 0.968 343 Q CB 1.097 29.701 28.738 -0.224 0.000 1.130 343 Q HN 0.563 nan 8.270 nan 0.000 0.556 344 E N 1.331 121.582 120.200 0.086 0.000 2.199 344 E HA 0.364 4.715 4.350 0.003 0.000 0.269 344 E C -2.597 173.927 176.600 -0.126 0.000 0.899 344 E CA -2.417 53.985 56.400 0.004 0.000 0.772 344 E CB 1.599 31.254 29.700 -0.075 0.000 1.155 344 E HN -0.088 nan 8.360 nan 0.000 0.408 345 P HA 0.010 nan 4.420 nan 0.000 0.265 345 P C -0.338 176.636 177.300 -0.543 0.000 1.193 345 P CA 0.415 63.065 63.100 -0.750 0.000 0.765 345 P CB 0.006 31.329 31.700 -0.628 0.000 0.823 346 F N -0.160 119.579 119.950 -0.352 0.000 2.871 346 F HA -0.240 4.288 4.527 0.002 0.000 0.326 346 F C 0.740 176.420 175.800 -0.199 0.000 0.675 346 F CA 0.645 58.502 58.000 -0.238 0.000 1.188 346 F CB -1.266 37.604 39.000 -0.216 0.000 1.567 346 F HN 0.298 nan 8.300 nan 0.000 0.325 347 K N 1.402 121.753 120.400 -0.081 0.000 2.724 347 K HA 0.283 4.605 4.320 0.003 0.000 0.198 347 K C -0.279 176.314 176.600 -0.011 0.000 1.099 347 K CA -0.320 55.938 56.287 -0.048 0.000 1.025 347 K CB 0.152 32.609 32.500 -0.071 0.000 1.509 347 K HN 0.041 nan 8.250 nan 0.000 0.564 348 N N 1.597 120.310 118.700 0.022 0.000 2.454 348 N HA 0.044 4.786 4.740 0.003 0.000 0.260 348 N C 1.162 176.724 175.510 0.086 0.000 1.218 348 N CA 0.115 53.218 53.050 0.088 0.000 0.904 348 N CB 1.040 39.589 38.487 0.104 0.000 1.065 348 N HN 0.279 nan 8.380 nan 0.000 0.462 349 L N 0.764 122.050 121.223 0.106 0.000 2.463 349 L HA 0.161 4.502 4.340 0.003 0.000 0.219 349 L C 0.502 177.521 176.870 0.248 0.000 1.088 349 L CA 0.474 55.413 54.840 0.166 0.000 0.849 349 L CB 0.081 42.211 42.059 0.117 0.000 1.012 349 L HN 0.443 nan 8.230 nan 0.000 0.468 350 K N 0.158 120.676 120.400 0.196 0.000 2.569 350 K HA 0.361 4.683 4.320 0.003 0.000 0.259 350 K C -0.930 175.686 176.600 0.025 0.000 0.932 350 K CA -0.328 56.058 56.287 0.165 0.000 0.833 350 K CB 1.548 34.236 32.500 0.314 0.000 1.340 350 K HN -0.020 nan 8.250 nan 0.000 0.429 351 T N -0.278 114.212 114.554 -0.107 0.000 2.896 351 T HA 0.947 5.299 4.350 0.003 0.000 0.297 351 T C -0.132 174.210 174.700 -0.596 0.000 1.108 351 T CA -0.384 61.499 62.100 -0.362 0.000 1.004 351 T CB 1.880 70.621 68.868 -0.212 0.000 1.159 351 T HN 0.817 nan 8.240 nan 0.000 0.499 352 G N 0.167 108.284 108.800 -1.139 0.000 2.606 352 G HA2 0.642 4.604 3.960 0.003 0.000 0.300 352 G HA3 0.642 4.604 3.960 0.003 0.000 0.300 352 G C -2.088 172.359 174.900 -0.754 0.000 1.360 352 G CA -1.014 43.501 45.100 -0.975 0.000 0.783 352 G HN 0.827 nan 8.290 nan 0.000 0.484 353 K N -0.189 120.002 120.400 -0.349 0.000 2.550 353 K HA 0.561 4.883 4.320 0.003 0.000 0.252 353 K C -1.897 174.745 176.600 0.069 0.000 0.943 353 K CA -0.767 55.455 56.287 -0.109 0.000 0.806 353 K CB 1.937 34.431 32.500 -0.010 0.000 1.289 353 K HN 0.601 nan 8.250 nan 0.000 0.435 354 Y N 0.755 121.222 120.300 0.279 0.000 2.485 354 Y HA 0.710 5.262 4.550 0.003 0.000 0.345 354 Y C -0.252 175.799 175.900 0.251 0.000 0.998 354 Y CA -1.421 56.825 58.100 0.242 0.000 1.059 354 Y CB 2.668 41.264 38.460 0.225 0.000 1.234 354 Y HN 0.651 nan 8.280 nan 0.000 0.461 355 A N 3.576 126.617 122.820 0.368 0.000 2.684 355 A HA 0.664 4.985 4.320 0.003 0.000 0.289 355 A C -1.237 176.455 177.584 0.180 0.000 1.139 355 A CA -0.779 51.421 52.037 0.271 0.000 0.793 355 A CB 0.631 19.744 19.000 0.189 0.000 1.334 355 A HN 0.594 nan 8.150 nan 0.000 0.408 356 R N 1.216 121.814 120.500 0.163 0.000 2.807 356 R HA 0.672 5.014 4.340 0.003 0.000 0.276 356 R C -0.785 175.551 176.300 0.060 0.000 0.979 356 R CA -0.932 55.211 56.100 0.072 0.000 0.928 356 R CB 1.619 31.915 30.300 -0.007 0.000 1.191 356 R HN 0.725 nan 8.270 nan 0.000 0.471 357 M N 1.667 121.283 119.600 0.027 0.000 3.200 357 M HA 0.307 4.788 4.480 0.003 0.000 0.335 357 M C -0.748 175.552 176.300 -0.001 0.000 1.446 357 M CA 0.242 55.554 55.300 0.020 0.000 0.691 357 M CB 0.339 32.944 32.600 0.008 0.000 1.409 357 M HN 0.290 nan 8.290 nan 0.000 0.488 358 R N 0.569 121.057 120.500 -0.019 0.000 4.138 358 R HA 0.508 4.850 4.340 0.003 0.000 0.206 358 R C 0.715 176.990 176.300 -0.042 0.000 1.667 358 R CA 0.537 56.616 56.100 -0.035 0.000 1.481 358 R CB -0.331 29.935 30.300 -0.056 0.000 1.388 358 R HN 0.856 nan 8.270 nan 0.000 0.776 359 G N 0.096 108.884 108.800 -0.020 0.000 2.184 359 G HA2 -0.269 3.692 3.960 0.003 0.000 0.206 359 G HA3 -0.269 3.692 3.960 0.003 0.000 0.206 359 G C 0.329 175.212 174.900 -0.029 0.000 0.995 359 G CA -0.092 44.995 45.100 -0.022 0.000 0.651 359 G HN 0.545 nan 8.290 nan 0.000 0.511 360 A N 0.226 123.034 122.820 -0.020 0.000 2.985 360 A HA 0.651 4.973 4.320 0.003 0.000 0.303 360 A C 0.787 178.413 177.584 0.071 0.000 1.048 360 A CA 1.043 53.061 52.037 -0.032 0.000 1.016 360 A CB -0.573 18.367 19.000 -0.101 0.000 1.118 360 A HN 0.769 nan 8.150 nan 0.000 0.529 361 H N -0.316 118.744 119.070 -0.017 0.000 2.466 361 H HA -0.153 4.405 4.556 0.003 0.000 0.297 361 H C 1.265 176.594 175.328 0.002 0.000 1.113 361 H CA 1.874 57.923 56.048 0.001 0.000 1.273 361 H CB 0.422 30.182 29.762 -0.004 0.000 1.371 361 H HN 0.432 nan 8.280 nan 0.000 0.528 362 T N -0.761 113.742 114.554 -0.084 0.000 3.262 362 T HA 0.069 4.420 4.350 0.003 0.000 0.300 362 T C -0.712 173.923 174.700 -0.108 0.000 0.959 362 T CA -0.517 61.470 62.100 -0.189 0.000 0.936 362 T CB -0.098 68.592 68.868 -0.297 0.000 1.169 362 T HN 0.204 nan 8.240 nan 0.000 0.532 363 N N 1.475 120.130 118.700 -0.075 0.000 2.626 363 N HA 0.256 4.998 4.740 0.003 0.000 0.249 363 N C 0.194 175.684 175.510 -0.033 0.000 1.021 363 N CA -0.246 52.740 53.050 -0.108 0.000 0.886 363 N CB 1.511 39.868 38.487 -0.215 0.000 1.149 363 N HN 0.030 nan 8.380 nan 0.000 0.517 364 D N 1.901 122.330 120.400 0.049 0.000 2.133 364 D HA -0.151 4.490 4.640 0.003 0.000 0.192 364 D C 1.689 178.086 176.300 0.161 0.000 1.001 364 D CA 1.337 55.464 54.000 0.212 0.000 0.844 364 D CB 0.437 41.366 40.800 0.214 0.000 0.944 364 D HN 0.334 nan 8.370 nan 0.000 0.447 365 V N 0.345 120.291 119.914 0.053 0.000 2.488 365 V HA -0.148 3.974 4.120 0.003 0.000 0.246 365 V C 2.374 178.452 176.094 -0.027 0.000 1.046 365 V CA 1.232 63.599 62.300 0.112 0.000 1.053 365 V CB -0.323 31.602 31.823 0.171 0.000 0.679 365 V HN 0.161 nan 8.190 nan 0.000 0.458 366 K N -0.073 120.088 120.400 -0.398 0.000 2.057 366 K HA -0.237 4.085 4.320 0.003 0.000 0.207 366 K C 2.254 178.680 176.600 -0.291 0.000 1.049 366 K CA 1.677 57.561 56.287 -0.672 0.000 0.931 366 K CB -0.086 31.839 32.500 -0.959 0.000 0.714 366 K HN 0.512 nan 8.250 nan 0.000 0.440 367 Q N 0.272 119.947 119.800 -0.208 0.000 2.050 367 Q HA -0.184 4.158 4.340 0.003 0.000 0.202 367 Q C 2.162 177.841 176.000 -0.536 0.000 0.980 367 Q CA 1.472 57.128 55.803 -0.245 0.000 0.840 367 Q CB -0.140 28.610 28.738 0.019 0.000 0.898 367 Q HN 0.249 nan 8.270 nan 0.000 0.424 368 L N 0.364 121.250 121.223 -0.562 0.000 2.046 368 L HA -0.144 4.197 4.340 0.003 0.000 0.208 368 L C 2.061 178.835 176.870 -0.160 0.000 1.077 368 L CA 1.916 56.380 54.840 -0.625 0.000 0.747 368 L CB -0.707 41.163 42.059 -0.315 0.000 0.896 368 L HN 0.120 nan 8.230 nan 0.000 0.432 369 T N -0.503 114.117 114.554 0.110 0.000 2.788 369 T HA -0.164 4.188 4.350 0.003 0.000 0.268 369 T C 1.654 176.395 174.700 0.069 0.000 1.044 369 T CA 1.738 64.023 62.100 0.308 0.000 1.139 369 T CB -0.217 68.879 68.868 0.381 0.000 0.867 369 T HN 0.505 nan 8.240 nan 0.000 0.454 370 E N 1.117 121.260 120.200 -0.095 0.000 2.107 370 E HA 0.041 4.393 4.350 0.003 0.000 0.191 370 E C 2.611 179.079 176.600 -0.220 0.000 0.982 370 E CA 0.802 57.097 56.400 -0.175 0.000 0.809 370 E CB -0.203 29.381 29.700 -0.194 0.000 0.756 370 E HN 0.470 nan 8.360 nan 0.000 0.459 371 A N 1.171 123.830 122.820 -0.268 0.000 1.902 371 A HA -0.148 4.173 4.320 0.003 0.000 0.217 371 A C 2.511 180.033 177.584 -0.104 0.000 1.181 371 A CA 1.138 53.058 52.037 -0.195 0.000 0.623 371 A CB -0.703 18.150 19.000 -0.244 0.000 0.818 371 A HN 0.113 nan 8.150 nan 0.000 0.443 372 V N -0.073 119.750 119.914 -0.153 0.000 2.343 372 V HA -0.327 3.795 4.120 0.003 0.000 0.247 372 V C 2.644 178.709 176.094 -0.047 0.000 1.051 372 V CA 2.346 64.486 62.300 -0.266 0.000 1.036 372 V CB -0.860 30.767 31.823 -0.325 0.000 0.654 372 V HN 0.665 nan 8.190 nan 0.000 0.451 373 Q N -0.430 119.352 119.800 -0.030 0.000 2.119 373 Q HA -0.186 4.155 4.340 0.003 0.000 0.201 373 Q C 2.323 178.416 176.000 0.154 0.000 0.972 373 Q CA 1.340 57.181 55.803 0.063 0.000 0.847 373 Q CB -0.170 28.391 28.738 -0.295 0.000 0.903 373 Q HN 0.610 nan 8.270 nan 0.000 0.433 374 K N 0.546 120.943 120.400 -0.005 0.000 2.026 374 K HA -0.120 4.202 4.320 0.003 0.000 0.208 374 K C 2.007 178.609 176.600 0.003 0.000 1.048 374 K CA 1.194 57.460 56.287 -0.036 0.000 0.929 374 K CB -0.127 32.167 32.500 -0.343 0.000 0.713 374 K HN 0.162 nan 8.250 nan 0.000 0.439 375 I N 1.003 121.585 120.570 0.020 0.000 2.226 375 I HA -0.277 3.895 4.170 0.003 0.000 0.245 375 I C 2.195 178.360 176.117 0.081 0.000 1.100 375 I CA 1.306 62.588 61.300 -0.030 0.000 1.374 375 I CB -0.517 37.476 38.000 -0.011 0.000 1.057 375 I HN 0.183 nan 8.210 nan 0.000 0.413 376 T N -0.108 114.575 114.554 0.216 0.000 2.720 376 T HA -0.179 4.172 4.350 0.003 0.000 0.268 376 T C 1.922 176.535 174.700 -0.144 0.000 1.037 376 T CA 2.043 64.176 62.100 0.055 0.000 1.144 376 T CB -0.393 68.478 68.868 0.004 0.000 0.864 376 T HN 0.366 nan 8.240 nan 0.000 0.444 377 T N 1.942 116.513 114.554 0.029 0.000 2.746 377 T HA -0.100 4.251 4.350 0.003 0.000 0.267 377 T C 1.957 176.686 174.700 0.048 0.000 1.039 377 T CA 1.254 63.439 62.100 0.141 0.000 1.142 377 T CB -0.272 68.835 68.868 0.397 0.000 0.866 377 T HN 0.540 nan 8.240 nan 0.000 0.444 378 E N 0.667 120.834 120.200 -0.055 0.000 2.077 378 E HA -0.100 4.252 4.350 0.003 0.000 0.193 378 E C 2.462 178.981 176.600 -0.134 0.000 0.989 378 E CA 1.089 57.365 56.400 -0.207 0.000 0.800 378 E CB -0.166 29.184 29.700 -0.583 0.000 0.746 378 E HN 0.311 nan 8.360 nan 0.000 0.452 379 S N 0.400 116.053 115.700 -0.077 0.000 2.382 379 S HA -0.120 4.352 4.470 0.003 0.000 0.228 379 S C 1.957 176.477 174.600 -0.133 0.000 1.027 379 S CA 0.743 58.974 58.200 0.052 0.000 0.991 379 S CB -0.131 63.136 63.200 0.112 0.000 0.823 379 S HN 0.169 nan 8.310 nan 0.000 0.469 380 I N 0.820 121.215 120.570 -0.291 0.000 2.202 380 I HA -0.122 4.049 4.170 0.003 0.000 0.242 380 I C 2.271 178.146 176.117 -0.402 0.000 1.091 380 I CA 0.918 61.938 61.300 -0.465 0.000 1.368 380 I CB -0.366 37.250 38.000 -0.639 0.000 1.058 380 I HN 0.183 nan 8.210 nan 0.000 0.410 381 V N 1.181 120.907 119.914 -0.314 0.000 2.343 381 V HA -0.275 3.847 4.120 0.003 0.000 0.247 381 V C 2.227 178.172 176.094 -0.248 0.000 1.051 381 V CA 1.939 64.093 62.300 -0.243 0.000 1.036 381 V CB -0.364 31.444 31.823 -0.026 0.000 0.654 381 V HN 0.333 nan 8.190 nan 0.000 0.451 382 I N -1.808 118.488 120.570 -0.456 0.000 2.333 382 I HA -0.145 4.026 4.170 0.003 0.000 0.246 382 I C 1.992 177.466 176.117 -1.072 0.000 1.106 382 I CA 1.438 62.229 61.300 -0.847 0.000 1.411 382 I CB -0.216 36.851 38.000 -1.554 0.000 1.082 382 I HN 0.387 nan 8.210 nan 0.000 0.420 383 W N 0.089 120.997 121.300 -0.653 0.000 2.871 383 W HA 0.397 5.059 4.660 0.003 0.000 0.340 383 W C 1.321 177.197 176.519 -1.072 0.000 1.058 383 W CA 0.497 57.299 57.345 -0.905 0.000 1.633 383 W CB -0.145 28.825 29.460 -0.817 0.000 1.067 383 W HN 0.288 nan 8.180 nan 0.000 0.554 384 G N 2.631 110.869 108.800 -0.937 0.000 2.147 384 G HA2 -0.302 3.660 3.960 0.003 0.000 0.244 384 G HA3 -0.302 3.660 3.960 0.003 0.000 0.244 384 G C 0.122 174.943 174.900 -0.132 0.000 1.005 384 G CA 0.975 45.800 45.100 -0.459 0.000 0.713 384 G HN 0.376 nan 8.290 nan 0.000 0.515 385 K N -1.842 118.426 120.400 -0.221 0.000 2.578 385 K HA 0.731 5.053 4.320 0.003 0.000 0.287 385 K C -0.344 176.126 176.600 -0.217 0.000 1.010 385 K CA -0.447 55.750 56.287 -0.150 0.000 0.889 385 K CB 0.765 33.275 32.500 0.017 0.000 1.514 385 K HN 0.575 nan 8.250 nan 0.000 0.424 386 T N -0.722 113.738 114.554 -0.157 0.000 2.907 386 T HA 0.582 4.934 4.350 0.003 0.000 0.284 386 T C -2.196 172.424 174.700 -0.133 0.000 1.004 386 T CA -1.517 60.495 62.100 -0.147 0.000 1.063 386 T CB 1.215 70.041 68.868 -0.070 0.000 0.992 386 T HN 0.507 nan 8.240 nan 0.000 0.483 387 P HA 0.414 nan 4.420 nan 0.000 0.281 387 P C -1.215 175.868 177.300 -0.363 0.000 1.281 387 P CA -0.847 62.027 63.100 -0.377 0.000 0.811 387 P CB 0.928 32.274 31.700 -0.590 0.000 1.154 388 K N 0.710 120.882 120.400 -0.381 0.000 2.234 388 K HA 0.403 4.725 4.320 0.003 0.000 0.277 388 K C -1.120 175.279 176.600 -0.335 0.000 1.038 388 K CA -0.282 55.861 56.287 -0.239 0.000 0.888 388 K CB -0.232 32.152 32.500 -0.194 0.000 1.091 388 K HN 0.138 nan 8.250 nan 0.000 0.467 389 F N 2.962 122.856 119.950 -0.094 0.000 2.384 389 F HA 0.338 4.867 4.527 0.002 0.000 0.338 389 F C 0.442 176.147 175.800 -0.157 0.000 1.103 389 F CA -0.293 57.645 58.000 -0.103 0.000 1.157 389 F CB 1.345 40.310 39.000 -0.058 0.000 1.167 389 F HN 0.315 nan 8.300 nan 0.000 0.529 390 K N 4.493 124.904 120.400 0.020 0.000 2.404 390 K HA 0.452 4.773 4.320 0.003 0.000 0.257 390 K C -1.150 175.440 176.600 -0.017 0.000 1.026 390 K CA -0.287 55.980 56.287 -0.034 0.000 0.951 390 K CB 0.927 33.422 32.500 -0.008 0.000 1.203 390 K HN 0.482 nan 8.250 nan 0.000 0.446 391 L N 5.042 126.180 121.223 -0.141 0.000 2.289 391 L HA 0.344 4.686 4.340 0.003 0.000 0.285 391 L C -1.857 175.018 176.870 0.009 0.000 1.049 391 L CA -2.071 52.676 54.840 -0.155 0.000 0.804 391 L CB 1.055 42.805 42.059 -0.514 0.000 1.195 391 L HN 0.362 nan 8.230 nan 0.000 0.428 392 P HA 0.266 nan 4.420 nan 0.000 0.231 392 P C -0.617 176.774 177.300 0.152 0.000 1.811 392 P CA 0.285 63.462 63.100 0.129 0.000 1.051 392 P CB 0.567 32.364 31.700 0.161 0.000 1.951 393 I N 0.003 120.669 120.570 0.160 0.000 2.897 393 I HA 0.183 4.355 4.170 0.003 0.000 0.299 393 I C -1.274 174.918 176.117 0.126 0.000 1.527 393 I CA -0.857 60.541 61.300 0.163 0.000 0.979 393 I CB 2.452 40.572 38.000 0.200 0.000 1.360 393 I HN -0.156 nan 8.210 nan 0.000 0.495 394 Q N 4.679 124.505 119.800 0.044 0.000 2.327 394 Q HA 0.113 4.454 4.340 0.003 0.000 0.254 394 Q C 0.565 176.367 176.000 -0.329 0.000 0.952 394 Q CA 0.094 55.847 55.803 -0.083 0.000 0.884 394 Q CB 1.388 30.108 28.738 -0.031 0.000 1.224 394 Q HN 0.601 nan 8.270 nan 0.000 0.422 395 K N 2.482 122.445 120.400 -0.729 0.000 2.074 395 K HA -0.248 4.073 4.320 0.003 0.000 0.209 395 K C 0.878 177.209 176.600 -0.447 0.000 1.048 395 K CA 1.850 57.388 56.287 -1.248 0.000 0.926 395 K CB 0.329 32.253 32.500 -0.961 0.000 0.713 395 K HN 0.422 nan 8.250 nan 0.000 0.444 396 E N 0.036 120.098 120.200 -0.231 0.000 2.077 396 E HA -0.130 4.221 4.350 0.003 0.000 0.193 396 E C 1.986 178.557 176.600 -0.048 0.000 0.989 396 E CA 1.909 58.242 56.400 -0.111 0.000 0.800 396 E CB -0.468 29.191 29.700 -0.068 0.000 0.746 396 E HN 0.348 nan 8.360 nan 0.000 0.452 397 T N 0.427 114.998 114.554 0.029 0.000 2.674 397 T HA -0.174 4.178 4.350 0.003 0.000 0.265 397 T C 1.356 176.212 174.700 0.260 0.000 1.039 397 T CA 1.172 63.386 62.100 0.189 0.000 1.150 397 T CB -0.512 68.483 68.868 0.211 0.000 0.864 397 T HN 0.397 nan 8.240 nan 0.000 0.427 398 W N 2.203 123.507 121.300 0.007 0.000 2.315 398 W HA -0.188 4.474 4.660 0.003 0.000 0.323 398 W C 1.897 178.472 176.519 0.094 0.000 1.233 398 W CA 1.616 58.993 57.345 0.052 0.000 1.267 398 W CB -0.239 29.226 29.460 0.008 0.000 1.160 398 W HN 0.406 nan 8.180 nan 0.000 0.474 399 E N -0.624 119.604 120.200 0.047 0.000 2.265 399 E HA -0.172 4.180 4.350 0.003 0.000 0.196 399 E C 1.962 178.324 176.600 -0.396 0.000 0.996 399 E CA 1.741 58.086 56.400 -0.092 0.000 0.832 399 E CB -0.262 29.423 29.700 -0.026 0.000 0.756 399 E HN 0.204 nan 8.360 nan 0.000 0.491 400 T N -0.668 113.638 114.554 -0.413 0.000 2.942 400 T HA -0.081 4.270 4.350 0.003 0.000 0.265 400 T C 0.864 174.941 174.700 -1.038 0.000 1.062 400 T CA 0.896 62.542 62.100 -0.758 0.000 1.139 400 T CB -0.069 68.288 68.868 -0.852 0.000 0.883 400 T HN 0.369 nan 8.240 nan 0.000 0.468 401 W N -0.026 121.071 121.300 -0.339 0.000 2.865 401 W HA 0.300 4.961 4.660 0.002 0.000 0.300 401 W C 1.973 178.160 176.519 -0.552 0.000 1.096 401 W CA -1.302 55.814 57.345 -0.382 0.000 1.524 401 W CB -0.161 29.243 29.460 -0.095 0.000 0.991 401 W HN 0.260 nan 8.180 nan 0.000 0.571 402 W N 1.714 122.633 121.300 -0.634 0.000 2.342 402 W HA -0.210 4.452 4.660 0.002 0.000 0.297 402 W C 1.546 177.805 176.519 -0.434 0.000 1.213 402 W CA 2.161 59.032 57.345 -0.791 0.000 1.251 402 W CB -1.779 26.599 29.460 -1.804 0.000 1.136 402 W HN -0.048 nan 8.180 nan 0.000 0.526 403 T N -1.366 112.402 114.554 -1.310 0.000 3.007 403 T HA -0.149 4.203 4.350 0.003 0.000 0.270 403 T C 1.463 175.952 174.700 -0.351 0.000 1.107 403 T CA 1.352 62.817 62.100 -1.058 0.000 1.118 403 T CB -0.373 67.630 68.868 -1.442 0.000 0.889 403 T HN 0.073 nan 8.240 nan 0.000 0.506 404 E N 0.666 120.573 120.200 -0.490 0.000 2.285 404 E HA 0.010 4.361 4.350 0.003 0.000 0.194 404 E C 0.715 177.077 176.600 -0.397 0.000 0.997 404 E CA 0.834 56.955 56.400 -0.467 0.000 0.845 404 E CB -0.075 29.194 29.700 -0.718 0.000 0.782 404 E HN 0.857 nan 8.360 nan 0.000 0.491 405 Y N -2.157 118.229 120.300 0.145 0.000 2.500 405 Y HA 0.156 4.707 4.550 0.002 0.000 0.246 405 Y C 0.923 176.947 175.900 0.206 0.000 1.146 405 Y CA -0.901 57.280 58.100 0.135 0.000 1.230 405 Y CB 0.361 38.877 38.460 0.093 0.000 1.214 405 Y HN -0.016 nan 8.280 nan 0.000 0.526 406 W N 3.523 124.937 121.300 0.190 0.000 2.216 406 W HA 0.113 4.774 4.660 0.002 0.000 0.326 406 W C -0.002 176.587 176.519 0.117 0.000 1.319 406 W CA 0.607 58.098 57.345 0.243 0.000 1.213 406 W CB 0.935 30.677 29.460 0.469 0.000 1.171 406 W HN 0.260 nan 8.180 nan 0.000 0.557 407 Q N 3.154 122.701 119.800 -0.421 0.000 2.073 407 Q HA 0.222 4.564 4.340 0.003 0.000 0.215 407 Q C 0.040 175.710 176.000 -0.551 0.000 0.776 407 Q CA -0.241 55.339 55.803 -0.370 0.000 1.008 407 Q CB 1.373 29.897 28.738 -0.356 0.000 1.196 407 Q HN 0.348 nan 8.270 nan 0.000 0.458 408 A N 0.648 122.943 122.820 -0.876 0.000 2.294 408 A HA 0.437 4.759 4.320 0.003 0.000 0.330 408 A C 0.978 178.314 177.584 -0.414 0.000 1.133 408 A CA -0.292 51.175 52.037 -0.950 0.000 0.836 408 A CB 0.674 18.542 19.000 -1.887 0.000 1.190 408 A HN 0.195 nan 8.150 nan 0.000 0.492 409 T N -1.729 112.521 114.554 -0.508 0.000 3.107 409 T HA 0.151 4.502 4.350 0.003 0.000 0.249 409 T C 0.325 175.083 174.700 0.096 0.000 1.096 409 T CA -0.031 61.999 62.100 -0.116 0.000 1.012 409 T CB -0.408 68.426 68.868 -0.056 0.000 0.977 409 T HN 0.651 nan 8.240 nan 0.000 0.527 410 W N 0.488 122.063 121.300 0.457 0.000 2.762 410 W HA 0.773 5.434 4.660 0.002 0.000 0.355 410 W C -1.148 175.731 176.519 0.600 0.000 1.124 410 W CA -1.893 55.730 57.345 0.463 0.000 1.141 410 W CB 0.775 30.527 29.460 0.486 0.000 1.432 410 W HN -0.117 nan 8.180 nan 0.000 0.586 411 I N 2.571 123.630 120.570 0.816 0.000 2.548 411 I HA 0.218 4.390 4.170 0.003 0.000 0.287 411 I C -2.127 174.164 176.117 0.290 0.000 1.103 411 I CA -2.060 59.555 61.300 0.525 0.000 1.049 411 I CB 2.266 40.364 38.000 0.164 0.000 1.232 411 I HN -0.022 nan 8.210 nan 0.000 0.429 412 P HA 0.338 nan 4.420 nan 0.000 0.282 412 P C -0.920 176.166 177.300 -0.356 0.000 1.287 412 P CA -0.367 62.801 63.100 0.113 0.000 0.792 412 P CB 1.096 33.047 31.700 0.419 0.000 1.163 413 E N -0.717 119.335 120.200 -0.247 0.000 2.250 413 E HA 0.456 4.808 4.350 0.003 0.000 0.269 413 E C -0.657 175.782 176.600 -0.267 0.000 1.018 413 E CA 0.014 56.129 56.400 -0.476 0.000 0.873 413 E CB 0.862 30.421 29.700 -0.236 0.000 1.134 413 E HN 0.510 nan 8.360 nan 0.000 0.403 414 W N -0.165 121.067 121.300 -0.113 0.000 3.146 414 W HA 0.504 5.165 4.660 0.003 0.000 0.319 414 W C -0.803 175.434 176.519 -0.470 0.000 1.258 414 W CA -0.951 56.233 57.345 -0.269 0.000 1.189 414 W CB 0.045 29.241 29.460 -0.440 0.000 1.412 414 W HN 0.492 nan 8.180 nan 0.000 0.567 415 E N 0.361 120.376 120.200 -0.309 0.000 2.445 415 E HA 0.805 5.157 4.350 0.003 0.000 0.273 415 E C -1.739 174.382 176.600 -0.798 0.000 0.961 415 E CA -1.137 54.980 56.400 -0.472 0.000 0.807 415 E CB 2.545 32.158 29.700 -0.145 0.000 1.362 415 E HN 0.286 nan 8.360 nan 0.000 0.453 416 F N 0.420 120.384 119.950 0.024 0.000 2.508 416 F HA 0.437 4.965 4.527 0.002 0.000 0.325 416 F C -0.254 175.553 175.800 0.011 0.000 1.090 416 F CA -1.267 56.725 58.000 -0.014 0.000 0.945 416 F CB 2.183 41.176 39.000 -0.011 0.000 1.156 416 F HN 0.290 nan 8.300 nan 0.000 0.463 417 V N 2.888 122.902 119.914 0.167 0.000 2.347 417 V HA 0.391 4.512 4.120 0.003 0.000 0.280 417 V C -0.308 175.856 176.094 0.117 0.000 1.021 417 V CA -0.282 62.088 62.300 0.116 0.000 0.847 417 V CB 1.051 32.923 31.823 0.082 0.000 0.990 417 V HN 0.876 nan 8.190 nan 0.000 0.444 418 N N 3.289 122.048 118.700 0.099 0.000 2.254 418 N HA 0.157 4.898 4.740 0.003 0.000 0.190 418 N C -0.182 175.361 175.510 0.055 0.000 1.107 418 N CA 0.029 53.125 53.050 0.076 0.000 0.869 418 N CB 0.628 39.158 38.487 0.071 0.000 0.983 418 N HN 0.665 nan 8.380 nan 0.000 0.487 419 T N 2.584 117.169 114.554 0.052 0.000 2.779 419 T HA 0.292 4.643 4.350 0.003 0.000 0.280 419 T C -2.599 172.119 174.700 0.030 0.000 0.987 419 T CA -1.422 60.701 62.100 0.038 0.000 0.966 419 T CB 1.795 70.686 68.868 0.039 0.000 0.933 419 T HN -0.038 nan 8.240 nan 0.000 0.442 420 P HA 0.172 nan 4.420 nan 0.000 0.265 420 P C -2.458 174.833 177.300 -0.015 0.000 1.222 420 P CA -1.035 62.062 63.100 -0.005 0.000 0.767 420 P CB -0.306 31.380 31.700 -0.023 0.000 0.801 421 P HA 0.050 nan 4.420 nan 0.000 0.271 421 P C 0.721 177.962 177.300 -0.097 0.000 1.216 421 P CA -0.459 62.633 63.100 -0.014 0.000 0.771 421 P CB 1.030 32.745 31.700 0.025 0.000 0.864 422 L N 5.000 126.154 121.223 -0.115 0.000 2.201 422 L HA -0.104 4.237 4.340 0.003 0.000 0.212 422 L C 1.854 178.384 176.870 -0.567 0.000 1.105 422 L CA 1.466 56.148 54.840 -0.264 0.000 0.775 422 L CB -0.833 41.129 42.059 -0.161 0.000 0.913 422 L HN 0.328 nan 8.230 nan 0.000 0.440 423 V N -3.094 116.585 119.914 -0.392 0.000 3.611 423 V HA -0.053 4.068 4.120 0.003 0.000 0.281 423 V C 2.191 178.025 176.094 -0.434 0.000 1.247 423 V CA 0.849 62.836 62.300 -0.522 0.000 1.198 423 V CB -1.342 30.409 31.823 -0.120 0.000 0.977 423 V HN 0.497 nan 8.190 nan 0.000 0.445 424 K N 0.556 120.738 120.400 -0.362 0.000 1.991 424 K HA -0.169 4.153 4.320 0.003 0.000 0.212 424 K C 2.062 178.513 176.600 -0.248 0.000 1.049 424 K CA 2.270 58.430 56.287 -0.210 0.000 0.932 424 K CB -0.267 32.120 32.500 -0.188 0.000 0.717 424 K HN 0.574 nan 8.250 nan 0.000 0.441 425 L N 0.362 121.338 121.223 -0.411 0.000 2.083 425 L HA -0.164 4.178 4.340 0.003 0.000 0.209 425 L C 2.101 178.829 176.870 -0.237 0.000 1.083 425 L CA 0.921 55.574 54.840 -0.313 0.000 0.752 425 L CB -0.300 41.557 42.059 -0.337 0.000 0.899 425 L HN 0.428 nan 8.230 nan 0.000 0.433 426 W N -0.825 120.233 121.300 -0.403 0.000 2.359 426 W HA -0.224 4.437 4.660 0.002 0.000 0.275 426 W C 1.957 178.150 176.519 -0.543 0.000 1.217 426 W CA 0.778 57.749 57.345 -0.623 0.000 1.196 426 W CB -1.092 27.582 29.460 -1.311 0.000 1.129 426 W HN 0.311 nan 8.180 nan 0.000 0.566 427 Y N -0.824 119.417 120.300 -0.097 0.000 2.466 427 Y HA 0.067 4.619 4.550 0.003 0.000 0.272 427 Y C 1.478 177.381 175.900 0.006 0.000 1.169 427 Y CA 0.146 58.244 58.100 -0.003 0.000 1.285 427 Y CB 0.418 38.880 38.460 0.004 0.000 1.078 427 Y HN -0.129 nan 8.280 nan 0.000 0.523 428 Q N 0.000 119.868 119.800 0.113 0.000 2.315 428 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 428 Q CA 0.000 55.844 55.803 0.069 0.000 1.022 428 Q CB 0.000 28.752 28.738 0.024 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481