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 1p9r_1_A DATA FIRST_RESID 100 DATA SEQUENCE DFFSLAEEXX XXXXXXXXXX XAPIIKLINA XLGEAIKEGA SDIHIETFEK DATA SEQUENCE TLSIRFRVDG VLREVLAPSR KLSSLLVSRV KVXAKLDIAE KRVPQDGRIS DATA SEQUENCE LXXXXXAVDV RVSTXPSSHG ERVVXRLLDK NATRLDLHSL GXTAHNHDNF DATA SEQUENCE RRLIKRPHGI ILVTGPTGSG KSTTLYAGLQ ELNSSERNIL TVEDPIEFDI DATA SEQUENCE DGIGQTQVNP RVDXTFARGL RAILRQDPDV VXVGEIRDLE TAQIAVQASL DATA SEQUENCE TGHLVXSTLH TNTAVGAVTR LRDXGIEPFL ISSSLLGVLA QRLVRTLCPD DATA SEQUENCE CKEPYEADKE QRKLFXXXXX EPLILYRATG CPKCNHKGYR GRTGIHELLL DATA SEQUENCE VDDALQELIH SEAGEQAXEK HIRATTPSIR DDGLDKVRQG ITSLEEVXRG DATA SEQUENCE S 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 100 D HA 0.000 nan 4.640 nan 0.000 0.175 100 D C 0.000 176.378 176.300 0.130 0.000 2.045 100 D CA 0.000 54.074 54.000 0.123 0.000 0.868 100 D CB 0.000 40.871 40.800 0.118 0.000 0.688 101 F N 3.937 123.872 119.950 -0.025 0.000 2.120 101 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 101 F C 0.896 176.613 175.800 -0.138 0.000 1.095 101 F CA 1.633 59.556 58.000 -0.128 0.000 1.249 101 F CB -0.171 38.679 39.000 -0.250 0.000 0.995 101 F HN 0.429 nan 8.300 nan 0.000 0.480 102 F N -0.030 119.821 119.950 -0.164 0.000 2.128 102 F HA -0.073 4.454 4.527 -0.000 0.000 0.295 102 F C 2.832 178.504 175.800 -0.213 0.000 1.100 102 F CA 1.501 59.321 58.000 -0.300 0.000 1.260 102 F CB -1.348 37.594 39.000 -0.097 0.000 1.009 102 F HN -0.132 nan 8.300 nan 0.000 0.476 103 S N 0.276 116.020 115.700 0.074 0.000 2.359 103 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 103 S C 2.033 176.614 174.600 -0.031 0.000 1.039 103 S CA 1.168 59.380 58.200 0.020 0.000 1.042 103 S CB -0.529 62.693 63.200 0.037 0.000 0.915 103 S HN 0.098 nan 8.310 nan 0.000 0.439 104 L N 1.266 122.457 121.223 -0.054 0.000 2.131 104 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 104 L C 2.531 179.334 176.870 -0.113 0.000 1.092 104 L CA 1.583 56.386 54.840 -0.061 0.000 0.759 104 L CB -1.640 40.403 42.059 -0.028 0.000 0.903 104 L HN 0.311 nan 8.230 nan 0.000 0.435 105 A N -1.217 121.465 122.820 -0.230 0.000 1.930 105 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 105 A C 2.157 179.669 177.584 -0.121 0.000 1.175 105 A CA 1.093 52.980 52.037 -0.251 0.000 0.627 105 A CB -0.299 18.423 19.000 -0.462 0.000 0.815 105 A HN 0.323 nan 8.150 nan 0.000 0.443 106 E N 0.619 120.770 120.200 -0.082 0.000 2.204 106 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 106 E C 0.819 177.398 176.600 -0.035 0.000 0.990 106 E CA 0.604 56.978 56.400 -0.044 0.000 0.821 106 E CB -0.171 29.513 29.700 -0.028 0.000 0.750 106 E HN 0.777 nan 8.360 nan 0.000 0.477 122 P HA 0.039 nan 4.420 nan 0.000 0.231 122 P C 1.292 178.605 177.300 0.021 0.000 1.168 122 P CA 0.528 63.637 63.100 0.015 0.000 0.779 122 P CB 0.106 31.812 31.700 0.010 0.000 0.844 123 I N -0.008 120.573 120.570 0.019 0.000 2.252 123 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 123 I C 2.531 178.663 176.117 0.025 0.000 1.102 123 I CA 0.983 62.297 61.300 0.024 0.000 1.385 123 I CB -1.056 36.954 38.000 0.017 0.000 1.064 123 I HN -0.072 nan 8.210 nan 0.000 0.414 124 I N 0.773 121.354 120.570 0.017 0.000 2.163 124 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 124 I C 2.639 178.769 176.117 0.021 0.000 1.085 124 I CA 1.537 62.846 61.300 0.014 0.000 1.347 124 I CB -0.353 37.653 38.000 0.009 0.000 1.044 124 I HN 0.188 nan 8.210 nan 0.000 0.408 125 K N 0.408 120.823 120.400 0.026 0.000 2.062 125 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 125 K C 2.111 178.745 176.600 0.058 0.000 1.051 125 K CA 1.037 57.344 56.287 0.034 0.000 0.941 125 K CB -0.049 32.468 32.500 0.028 0.000 0.719 125 K HN 0.066 nan 8.250 nan 0.000 0.440 126 L N 1.485 122.750 121.223 0.069 0.000 1.970 126 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 126 L C 1.990 178.938 176.870 0.131 0.000 1.071 126 L CA 1.599 56.516 54.840 0.128 0.000 0.751 126 L CB -0.424 41.702 42.059 0.112 0.000 0.889 126 L HN 0.188 nan 8.230 nan 0.000 0.432 127 I N 0.119 120.731 120.570 0.070 0.000 2.194 127 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 127 I C 2.134 178.247 176.117 -0.007 0.000 1.093 127 I CA 1.450 62.765 61.300 0.025 0.000 1.355 127 I CB -1.506 36.500 38.000 0.010 0.000 1.046 127 I HN 0.442 nan 8.210 nan 0.000 0.413 128 N N 0.990 119.694 118.700 0.007 0.000 2.216 128 N HA -0.004 4.736 4.740 -0.000 0.000 0.183 128 N C 1.098 176.604 175.510 -0.007 0.000 1.017 128 N CA 0.863 53.908 53.050 -0.008 0.000 0.861 128 N CB -0.272 38.216 38.487 0.003 0.000 0.986 128 N HN 0.325 nan 8.380 nan 0.000 0.428 132 G N 0.136 108.872 108.800 -0.106 0.000 2.402 132 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 132 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 132 G C 1.147 176.017 174.900 -0.049 0.000 1.162 132 G CA 1.342 46.406 45.100 -0.059 0.000 0.777 132 G HN 0.325 nan 8.290 nan 0.000 0.539 133 E N 1.072 121.244 120.200 -0.046 0.000 2.110 133 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 133 E C 2.646 179.228 176.600 -0.030 0.000 0.988 133 E CA 1.433 57.848 56.400 0.026 0.000 0.804 133 E CB -0.549 29.197 29.700 0.077 0.000 0.745 133 E HN 0.276 nan 8.360 nan 0.000 0.458 134 A N 0.403 123.067 122.820 -0.260 0.000 1.883 134 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 134 A C 2.345 179.781 177.584 -0.248 0.000 1.186 134 A CA 1.685 53.421 52.037 -0.502 0.000 0.624 134 A CB -0.759 17.759 19.000 -0.803 0.000 0.822 134 A HN 0.351 nan 8.150 nan 0.000 0.444 135 I N -0.349 120.117 120.570 -0.174 0.000 2.179 135 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 135 I C 2.456 178.542 176.117 -0.052 0.000 1.088 135 I CA 1.896 63.134 61.300 -0.103 0.000 1.357 135 I CB -0.180 37.769 38.000 -0.084 0.000 1.051 135 I HN 0.423 nan 8.210 nan 0.000 0.409 136 K N 1.398 121.783 120.400 -0.026 0.000 2.113 136 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 136 K C 1.786 178.406 176.600 0.033 0.000 1.047 136 K CA 1.899 58.196 56.287 0.016 0.000 0.928 136 K CB -0.162 32.367 32.500 0.047 0.000 0.716 136 K HN 0.374 nan 8.250 nan 0.000 0.446 137 E N -1.295 118.929 120.200 0.040 0.000 2.371 137 E HA 0.046 4.396 4.350 -0.000 0.000 0.194 137 E C 0.682 177.299 176.600 0.028 0.000 1.012 137 E CA 0.506 56.946 56.400 0.067 0.000 0.860 137 E CB 0.249 30.034 29.700 0.140 0.000 0.811 137 E HN 0.618 nan 8.360 nan 0.000 0.502 138 G N 1.256 110.048 108.800 -0.013 0.000 2.130 138 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 138 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 138 G C 0.177 175.055 174.900 -0.036 0.000 0.999 138 G CA -0.009 45.078 45.100 -0.021 0.000 0.686 138 G HN 0.427 nan 8.290 nan 0.000 0.515 139 A N 0.169 122.942 122.820 -0.078 0.000 2.371 139 A HA 0.790 5.110 4.320 -0.000 0.000 0.257 139 A C 1.552 179.072 177.584 -0.107 0.000 1.089 139 A CA 1.011 52.990 52.037 -0.097 0.000 0.794 139 A CB 0.689 19.555 19.000 -0.225 0.000 1.029 139 A HN 1.617 nan 8.150 nan 0.000 0.488 140 S N 0.688 116.352 115.700 -0.060 0.000 2.456 140 S HA 0.151 4.621 4.470 -0.000 0.000 0.224 140 S C -0.046 174.514 174.600 -0.066 0.000 1.035 140 S CA 0.760 58.930 58.200 -0.050 0.000 0.940 140 S CB -0.283 62.913 63.200 -0.007 0.000 0.799 140 S HN 0.715 nan 8.310 nan 0.000 0.508 141 D N -0.093 120.276 120.400 -0.051 0.000 2.661 141 D HA 0.614 5.254 4.640 -0.000 0.000 0.228 141 D C -1.343 174.927 176.300 -0.050 0.000 1.183 141 D CA -0.449 53.511 54.000 -0.067 0.000 0.844 141 D CB 1.708 42.503 40.800 -0.008 0.000 1.555 141 D HN 0.166 nan 8.370 nan 0.000 0.453 142 I N 1.255 121.753 120.570 -0.119 0.000 2.465 142 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 142 I C -0.626 175.493 176.117 0.002 0.000 1.014 142 I CA -0.765 60.550 61.300 0.025 0.000 1.093 142 I CB 1.420 39.357 38.000 -0.104 0.000 1.267 142 I HN 0.253 nan 8.210 nan 0.000 0.431 143 H N 6.860 125.997 119.070 0.111 0.000 2.505 143 H HA 0.541 5.097 4.556 0.000 0.000 0.338 143 H C -0.885 174.471 175.328 0.045 0.000 1.057 143 H CA -0.706 55.379 56.048 0.061 0.000 1.202 143 H CB 2.393 32.194 29.762 0.066 0.000 1.466 143 H HN 0.368 nan 8.280 nan 0.000 0.499 144 I N 3.649 124.277 120.570 0.098 0.000 2.355 144 I HA 0.177 4.347 4.170 -0.000 0.000 0.288 144 I C -0.133 175.967 176.117 -0.028 0.000 0.999 144 I CA -0.453 60.866 61.300 0.032 0.000 1.163 144 I CB 1.338 39.346 38.000 0.014 0.000 1.316 144 I HN 0.584 nan 8.210 nan 0.000 0.454 145 E N 3.778 123.905 120.200 -0.121 0.000 2.317 145 E HA 0.580 4.930 4.350 -0.000 0.000 0.270 145 E C -1.287 175.046 176.600 -0.445 0.000 0.885 145 E CA -0.929 55.315 56.400 -0.261 0.000 0.760 145 E CB 2.055 31.568 29.700 -0.313 0.000 1.227 145 E HN 0.308 nan 8.360 nan 0.000 0.434 146 T N 2.539 116.885 114.554 -0.348 0.000 2.767 146 T HA 0.438 4.788 4.350 -0.000 0.000 0.284 146 T C -0.902 173.639 174.700 -0.264 0.000 0.973 146 T CA -0.443 61.499 62.100 -0.264 0.000 0.996 146 T CB -0.045 68.789 68.868 -0.057 0.000 0.927 146 T HN 0.243 nan 8.240 nan 0.000 0.456 147 F N 1.161 121.142 119.950 0.052 0.000 2.458 147 F HA 0.418 4.945 4.527 0.000 0.000 0.330 147 F C 1.794 177.504 175.800 -0.150 0.000 1.082 147 F CA -1.850 56.161 58.000 0.018 0.000 0.995 147 F CB 0.900 39.905 39.000 0.009 0.000 1.170 147 F HN 0.643 nan 8.300 nan 0.000 0.478 148 E N 1.526 121.542 120.200 -0.306 0.000 2.340 148 E HA -0.354 3.996 4.350 -0.000 0.000 0.246 148 E C 1.210 177.725 176.600 -0.140 0.000 1.077 148 E CA 2.724 58.834 56.400 -0.484 0.000 1.060 148 E CB 0.029 29.438 29.700 -0.486 0.000 0.935 148 E HN 0.617 nan 8.360 nan 0.000 0.495 149 K N -1.091 119.285 120.400 -0.039 0.000 2.367 149 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 149 K C 0.262 176.883 176.600 0.035 0.000 1.027 149 K CA 0.294 56.577 56.287 -0.007 0.000 1.075 149 K CB 0.955 33.450 32.500 -0.009 0.000 0.845 149 K HN 0.039 nan 8.250 nan 0.000 0.529 150 T N -0.468 114.140 114.554 0.090 0.000 2.749 150 T HA 0.418 4.768 4.350 -0.000 0.000 0.310 150 T C -2.272 172.488 174.700 0.101 0.000 1.496 150 T CA -0.831 61.333 62.100 0.106 0.000 1.006 150 T CB 1.017 69.966 68.868 0.135 0.000 1.457 150 T HN -0.007 nan 8.240 nan 0.000 0.497 151 L N 1.595 122.843 121.223 0.042 0.000 2.319 151 L HA 0.960 5.300 4.340 -0.000 0.000 0.267 151 L C -0.787 176.064 176.870 -0.031 0.000 1.011 151 L CA -0.086 54.720 54.840 -0.057 0.000 0.818 151 L CB 2.146 44.181 42.059 -0.041 0.000 1.316 151 L HN 0.592 nan 8.230 nan 0.000 0.432 152 S N 3.247 118.873 115.700 -0.124 0.000 2.548 152 S HA 0.750 5.220 4.470 -0.000 0.000 0.276 152 S C -1.233 173.359 174.600 -0.013 0.000 1.129 152 S CA -0.594 57.591 58.200 -0.024 0.000 0.931 152 S CB 0.839 64.070 63.200 0.050 0.000 1.068 152 S HN 0.572 nan 8.310 nan 0.000 0.480 153 I N 4.345 124.936 120.570 0.035 0.000 2.418 153 I HA 0.524 4.694 4.170 -0.000 0.000 0.287 153 I C -0.083 176.049 176.117 0.024 0.000 1.008 153 I CA -0.635 60.695 61.300 0.050 0.000 1.104 153 I CB 1.805 39.839 38.000 0.057 0.000 1.264 153 I HN 0.451 nan 8.210 nan 0.000 0.438 154 R N 5.058 125.624 120.500 0.110 0.000 2.803 154 R HA 0.674 5.014 4.340 -0.000 0.000 0.276 154 R C -1.519 175.018 176.300 0.395 0.000 0.978 154 R CA -0.815 55.349 56.100 0.106 0.000 0.939 154 R CB 2.639 32.944 30.300 0.008 0.000 1.179 154 R HN 0.269 nan 8.270 nan 0.000 0.472 155 F N 0.849 120.844 119.950 0.075 0.000 2.532 155 F HA 0.462 4.989 4.527 0.000 0.000 0.321 155 F C 0.335 176.178 175.800 0.071 0.000 1.089 155 F CA -1.296 56.752 58.000 0.081 0.000 0.926 155 F CB 1.721 40.749 39.000 0.046 0.000 1.168 155 F HN 0.216 nan 8.300 nan 0.000 0.459 156 R N 2.505 123.156 120.500 0.252 0.000 2.229 156 R HA 0.605 4.945 4.340 -0.000 0.000 0.332 156 R C -1.498 174.857 176.300 0.092 0.000 0.989 156 R CA -0.431 55.756 56.100 0.145 0.000 0.842 156 R CB 1.279 31.665 30.300 0.144 0.000 1.119 156 R HN 0.532 nan 8.270 nan 0.000 0.456 157 V N 3.215 123.179 119.914 0.083 0.000 2.407 157 V HA 0.345 4.465 4.120 -0.000 0.000 0.291 157 V C -0.766 175.347 176.094 0.032 0.000 1.018 157 V CA -0.547 61.785 62.300 0.054 0.000 0.842 157 V CB 1.566 33.433 31.823 0.074 0.000 0.996 157 V HN 0.952 nan 8.190 nan 0.000 0.426 158 D N 4.375 124.786 120.400 0.017 0.000 2.723 158 D HA -0.159 4.481 4.640 -0.000 0.000 0.236 158 D C 1.284 177.580 176.300 -0.008 0.000 1.138 158 D CA 2.117 56.121 54.000 0.007 0.000 0.676 158 D CB -1.294 39.511 40.800 0.009 0.000 1.069 158 D HN 1.921 nan 8.370 nan 0.000 0.430 159 G N -2.453 106.337 108.800 -0.017 0.000 2.268 159 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.240 159 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.240 159 G C 0.394 175.250 174.900 -0.073 0.000 1.010 159 G CA 0.119 45.176 45.100 -0.070 0.000 0.618 159 G HN 0.651 nan 8.290 nan 0.000 0.516 160 V N 2.217 122.117 119.914 -0.024 0.000 2.408 160 V HA 0.604 4.724 4.120 -0.000 0.000 0.267 160 V C 0.558 176.661 176.094 0.015 0.000 1.047 160 V CA -0.383 61.911 62.300 -0.011 0.000 0.937 160 V CB 1.334 33.159 31.823 0.004 0.000 0.999 160 V HN 0.470 nan 8.190 nan 0.000 0.472 161 L N 7.329 128.550 121.223 -0.003 0.000 2.312 161 L HA 0.711 5.051 4.340 -0.000 0.000 0.281 161 L C 0.056 176.935 176.870 0.015 0.000 1.070 161 L CA 0.303 55.145 54.840 0.003 0.000 0.805 161 L CB 0.876 42.907 42.059 -0.047 0.000 1.174 161 L HN 0.861 nan 8.230 nan 0.000 0.434 162 R N 3.044 123.566 120.500 0.036 0.000 2.710 162 R HA 0.435 4.775 4.340 -0.000 0.000 0.270 162 R C -1.481 174.834 176.300 0.026 0.000 1.021 162 R CA -0.819 55.301 56.100 0.034 0.000 0.889 162 R CB 1.061 31.390 30.300 0.048 0.000 1.243 162 R HN 0.632 nan 8.270 nan 0.000 0.464 163 E N 2.221 122.434 120.200 0.021 0.000 2.167 163 E HA 0.181 4.531 4.350 -0.000 0.000 0.284 163 E C 0.402 177.006 176.600 0.006 0.000 1.016 163 E CA -0.548 55.863 56.400 0.019 0.000 0.817 163 E CB 1.621 31.348 29.700 0.045 0.000 1.080 163 E HN 0.558 nan 8.360 nan 0.000 0.397 164 V N 2.739 122.624 119.914 -0.048 0.000 3.565 164 V HA 0.341 4.461 4.120 -0.000 0.000 0.260 164 V C 0.116 176.297 176.094 0.145 0.000 1.231 164 V CA -0.032 62.279 62.300 0.018 0.000 1.100 164 V CB 0.147 31.820 31.823 -0.251 0.000 0.807 164 V HN 0.450 nan 8.190 nan 0.000 0.454 165 L N 0.199 121.464 121.223 0.069 0.000 2.612 165 L HA 0.829 5.169 4.340 -0.000 0.000 0.256 165 L C -0.896 176.008 176.870 0.056 0.000 0.949 165 L CA 0.199 55.086 54.840 0.077 0.000 0.867 165 L CB 2.028 44.133 42.059 0.077 0.000 1.417 165 L HN 0.080 nan 8.230 nan 0.000 0.414 166 A N 3.849 126.696 122.820 0.045 0.000 3.216 166 A HA 0.728 5.048 4.320 -0.000 0.000 0.321 166 A C -2.672 174.931 177.584 0.032 0.000 1.042 166 A CA -0.881 51.185 52.037 0.049 0.000 0.838 166 A CB -0.371 18.666 19.000 0.062 0.000 1.136 166 A HN 0.421 nan 8.150 nan 0.000 0.483 167 P HA 0.281 nan 4.420 nan 0.000 0.279 167 P C 0.423 177.730 177.300 0.012 0.000 1.282 167 P CA -0.146 62.961 63.100 0.011 0.000 0.788 167 P CB 0.824 32.529 31.700 0.009 0.000 1.139 168 S N 0.124 115.828 115.700 0.007 0.000 2.549 168 S HA 0.020 4.490 4.470 -0.000 0.000 0.286 168 S C 1.444 176.047 174.600 0.005 0.000 1.314 168 S CA -0.408 57.796 58.200 0.007 0.000 1.062 168 S CB 0.066 63.268 63.200 0.004 0.000 0.865 168 S HN 0.375 nan 8.310 nan 0.000 0.498 169 R N 3.081 123.585 120.500 0.006 0.000 2.185 169 R HA -0.113 4.227 4.340 -0.000 0.000 0.247 169 R C 1.646 177.946 176.300 0.000 0.000 1.159 169 R CA 1.769 57.870 56.100 0.001 0.000 0.988 169 R CB -0.424 29.878 30.300 0.002 0.000 0.871 169 R HN 0.769 nan 8.270 nan 0.000 0.458 170 K N -0.094 120.308 120.400 0.002 0.000 2.211 170 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 170 K C 1.932 178.533 176.600 0.003 0.000 1.050 170 K CA 0.775 57.064 56.287 0.003 0.000 0.945 170 K CB -0.024 32.478 32.500 0.003 0.000 0.732 170 K HN 0.105 nan 8.250 nan 0.000 0.451 171 L N 1.173 122.398 121.223 0.003 0.000 2.465 171 L HA -0.128 4.212 4.340 -0.000 0.000 0.224 171 L C 2.385 179.257 176.870 0.003 0.000 1.145 171 L CA 0.846 55.689 54.840 0.005 0.000 0.834 171 L CB -0.504 41.560 42.059 0.008 0.000 0.944 171 L HN 0.177 nan 8.230 nan 0.000 0.451 172 S N -0.810 114.889 115.700 -0.002 0.000 2.351 172 S HA -0.303 4.167 4.470 -0.000 0.000 0.220 172 S C 2.263 176.861 174.600 -0.003 0.000 1.035 172 S CA 1.499 59.695 58.200 -0.007 0.000 1.031 172 S CB -1.117 62.075 63.200 -0.013 0.000 0.928 172 S HN 0.508 nan 8.310 nan 0.000 0.433 173 S N 1.655 117.356 115.700 0.001 0.000 2.423 173 S HA -0.075 4.395 4.470 -0.000 0.000 0.238 173 S C 1.804 176.405 174.600 0.002 0.000 1.028 173 S CA 1.367 59.569 58.200 0.002 0.000 1.000 173 S CB -0.742 62.461 63.200 0.005 0.000 0.797 173 S HN 0.564 nan 8.310 nan 0.000 0.487 174 L N -0.039 121.186 121.223 0.003 0.000 2.168 174 L HA 0.250 4.590 4.340 -0.000 0.000 0.203 174 L C 2.512 179.385 176.870 0.005 0.000 1.078 174 L CA 0.575 55.417 54.840 0.004 0.000 0.780 174 L CB -0.272 41.791 42.059 0.006 0.000 0.939 174 L HN 0.295 nan 8.230 nan 0.000 0.451 175 L N -1.135 120.092 121.223 0.006 0.000 2.141 175 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 175 L C 2.428 179.298 176.870 -0.000 0.000 1.094 175 L CA 0.625 55.470 54.840 0.008 0.000 0.763 175 L CB -0.410 41.657 42.059 0.015 0.000 0.908 175 L HN 0.089 nan 8.230 nan 0.000 0.437 176 V N -1.023 118.889 119.914 -0.004 0.000 2.323 176 V HA -0.264 3.856 4.120 -0.000 0.000 0.244 176 V C 2.691 178.780 176.094 -0.008 0.000 1.041 176 V CA 1.960 64.255 62.300 -0.008 0.000 1.025 176 V CB -0.026 31.792 31.823 -0.008 0.000 0.656 176 V HN 0.459 nan 8.190 nan 0.000 0.451 177 S N -0.046 115.651 115.700 -0.005 0.000 2.356 177 S HA -0.274 4.196 4.470 -0.000 0.000 0.223 177 S C 2.216 176.812 174.600 -0.006 0.000 1.032 177 S CA 2.017 60.214 58.200 -0.005 0.000 1.005 177 S CB -0.327 62.871 63.200 -0.003 0.000 0.867 177 S HN 0.464 nan 8.310 nan 0.000 0.449 178 R N 1.033 121.530 120.500 -0.004 0.000 2.103 178 R HA -0.032 4.308 4.340 -0.000 0.000 0.242 178 R C 2.055 178.349 176.300 -0.010 0.000 1.142 178 R CA 2.160 58.257 56.100 -0.004 0.000 0.960 178 R CB -1.339 28.961 30.300 0.001 0.000 0.858 178 R HN 0.399 nan 8.270 nan 0.000 0.439 179 V N 0.915 120.821 119.914 -0.013 0.000 2.358 179 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 179 V C 2.219 178.300 176.094 -0.021 0.000 1.047 179 V CA 2.063 64.351 62.300 -0.021 0.000 1.035 179 V CB -0.445 31.363 31.823 -0.025 0.000 0.658 179 V HN 0.348 nan 8.190 nan 0.000 0.452 180 K N 0.109 120.498 120.400 -0.018 0.000 2.044 180 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 180 K C 1.253 177.843 176.600 -0.017 0.000 1.049 180 K CA 1.606 57.882 56.287 -0.018 0.000 0.927 180 K CB -0.500 31.992 32.500 -0.014 0.000 0.713 180 K HN 0.496 nan 8.250 nan 0.000 0.443 184 K N -0.108 120.280 120.400 -0.020 0.000 3.585 184 K HA -0.149 4.171 4.320 -0.000 0.000 0.275 184 K C -0.747 175.842 176.600 -0.018 0.000 1.026 184 K CA 1.126 57.402 56.287 -0.019 0.000 0.800 184 K CB -1.765 30.723 32.500 -0.020 0.000 1.401 184 K HN 0.615 nan 8.250 nan 0.000 0.453 185 L N -0.430 120.782 121.223 -0.017 0.000 2.283 185 L HA 0.399 4.739 4.340 -0.000 0.000 0.259 185 L C 0.229 177.091 176.870 -0.013 0.000 1.027 185 L CA -1.153 53.677 54.840 -0.016 0.000 0.828 185 L CB 1.271 43.319 42.059 -0.018 0.000 1.380 185 L HN 0.013 nan 8.230 nan 0.000 0.425 186 D N 0.837 121.229 120.400 -0.012 0.000 2.374 186 D HA 0.214 4.854 4.640 -0.000 0.000 0.240 186 D C 0.897 177.191 176.300 -0.009 0.000 1.229 186 D CA 0.109 54.103 54.000 -0.010 0.000 0.895 186 D CB 0.798 41.593 40.800 -0.009 0.000 1.046 186 D HN 0.339 nan 8.370 nan 0.000 0.498 187 I N 2.711 123.276 120.570 -0.008 0.000 2.454 187 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 187 I C 2.339 178.453 176.117 -0.005 0.000 1.156 187 I CA 0.847 62.143 61.300 -0.006 0.000 1.433 187 I CB -0.054 37.943 38.000 -0.006 0.000 1.082 187 I HN 0.396 nan 8.210 nan 0.000 0.432 188 A N -0.178 122.639 122.820 -0.005 0.000 2.015 188 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 188 A C 1.290 178.872 177.584 -0.004 0.000 1.163 188 A CA 0.877 52.911 52.037 -0.003 0.000 0.646 188 A CB -0.290 18.708 19.000 -0.003 0.000 0.806 188 A HN 0.294 nan 8.150 nan 0.000 0.448 189 E N -0.071 120.126 120.200 -0.005 0.000 2.227 189 E HA 0.436 4.786 4.350 -0.000 0.000 0.282 189 E C 0.275 176.871 176.600 -0.006 0.000 1.015 189 E CA 0.065 56.462 56.400 -0.005 0.000 0.823 189 E CB 0.931 30.627 29.700 -0.007 0.000 1.081 189 E HN 0.263 nan 8.360 nan 0.000 0.396 190 K N 3.054 123.451 120.400 -0.005 0.000 2.529 190 K HA 0.213 4.533 4.320 -0.000 0.000 0.215 190 K C 0.993 177.589 176.600 -0.005 0.000 1.286 190 K CA -0.005 56.279 56.287 -0.004 0.000 0.997 190 K CB 0.703 33.202 32.500 -0.002 0.000 1.063 190 K HN 0.237 nan 8.250 nan 0.000 0.590 191 R N 0.715 121.211 120.500 -0.006 0.000 2.290 191 R HA 0.073 4.413 4.340 -0.000 0.000 0.197 191 R C 0.665 176.960 176.300 -0.008 0.000 0.913 191 R CA 0.190 56.286 56.100 -0.007 0.000 1.040 191 R CB 0.766 31.062 30.300 -0.005 0.000 0.992 191 R HN -0.023 nan 8.270 nan 0.000 0.500 192 V N -2.434 117.475 119.914 -0.009 0.000 3.040 192 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 192 V C -2.823 173.264 176.094 -0.012 0.000 1.115 192 V CA -3.253 59.041 62.300 -0.010 0.000 0.998 192 V CB 2.232 34.049 31.823 -0.009 0.000 1.042 192 V HN -0.197 nan 8.190 nan 0.000 0.433 193 P HA 0.345 nan 4.420 nan 0.000 0.268 193 P C -0.980 176.310 177.300 -0.017 0.000 1.208 193 P CA 0.103 63.194 63.100 -0.015 0.000 0.777 193 P CB 0.218 31.909 31.700 -0.016 0.000 0.875 194 Q N 0.977 120.765 119.800 -0.020 0.000 2.377 194 Q HA 0.439 4.779 4.340 -0.000 0.000 0.279 194 Q C -1.440 174.544 176.000 -0.026 0.000 1.049 194 Q CA -0.700 55.090 55.803 -0.021 0.000 0.825 194 Q CB 2.812 31.538 28.738 -0.020 0.000 1.401 194 Q HN 0.439 nan 8.270 nan 0.000 0.404 195 D N 0.552 120.936 120.400 -0.028 0.000 2.934 195 D HA 0.625 5.265 4.640 -0.000 0.000 0.230 195 D C -0.757 175.524 176.300 -0.031 0.000 1.204 195 D CA -0.322 53.658 54.000 -0.032 0.000 0.873 195 D CB 2.411 43.190 40.800 -0.034 0.000 1.645 195 D HN 0.690 nan 8.370 nan 0.000 0.502 196 G N 0.561 109.341 108.800 -0.033 0.000 2.788 196 G HA2 0.613 4.573 3.960 -0.000 0.000 0.293 196 G HA3 0.613 4.573 3.960 -0.000 0.000 0.293 196 G C -1.117 173.763 174.900 -0.034 0.000 1.392 196 G CA -0.645 44.436 45.100 -0.031 0.000 0.810 196 G HN 0.233 nan 8.290 nan 0.000 0.508 197 R N -0.700 119.781 120.500 -0.031 0.000 2.750 197 R HA 0.639 4.979 4.340 -0.000 0.000 0.281 197 R C -1.085 175.197 176.300 -0.030 0.000 0.972 197 R CA -0.666 55.415 56.100 -0.032 0.000 0.912 197 R CB 2.150 32.433 30.300 -0.028 0.000 1.187 197 R HN 0.477 nan 8.270 nan 0.000 0.464 198 I N 0.094 120.645 120.570 -0.032 0.000 2.608 198 I HA 0.340 4.510 4.170 -0.000 0.000 0.295 198 I C -0.199 175.903 176.117 -0.025 0.000 1.049 198 I CA -0.748 60.535 61.300 -0.028 0.000 1.063 198 I CB 2.359 40.339 38.000 -0.033 0.000 1.248 198 I HN 0.271 nan 8.210 nan 0.000 0.424 199 S N 5.126 120.816 115.700 -0.017 0.000 2.478 199 S HA 0.776 5.246 4.470 -0.000 0.000 0.312 199 S C -0.501 174.091 174.600 -0.012 0.000 1.094 199 S CA -0.453 57.741 58.200 -0.010 0.000 1.081 199 S CB 1.073 64.275 63.200 0.004 0.000 1.007 199 S HN 0.359 nan 8.310 nan 0.000 0.475 207 V N 2.478 122.375 119.914 -0.029 0.000 2.407 207 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 207 V C -0.657 175.419 176.094 -0.030 0.000 1.018 207 V CA -0.371 61.907 62.300 -0.037 0.000 0.842 207 V CB 1.752 33.545 31.823 -0.051 0.000 0.996 207 V HN 0.929 nan 8.190 nan 0.000 0.426 208 D N 4.247 124.633 120.400 -0.025 0.000 2.374 208 D HA 0.190 4.830 4.640 -0.000 0.000 0.240 208 D C -0.412 175.865 176.300 -0.038 0.000 1.229 208 D CA 0.310 54.298 54.000 -0.021 0.000 0.895 208 D CB 1.396 42.191 40.800 -0.008 0.000 1.046 208 D HN 0.345 nan 8.370 nan 0.000 0.498 209 V N 5.091 124.979 119.914 -0.044 0.000 2.370 209 V HA 0.541 4.661 4.120 -0.000 0.000 0.283 209 V C -0.526 175.536 176.094 -0.053 0.000 1.023 209 V CA -0.755 61.511 62.300 -0.058 0.000 0.857 209 V CB 1.164 32.944 31.823 -0.071 0.000 0.985 209 V HN 0.389 nan 8.190 nan 0.000 0.443 210 R N 4.238 124.704 120.500 -0.058 0.000 2.312 210 R HA 0.652 4.992 4.340 -0.000 0.000 0.311 210 R C -0.772 175.489 176.300 -0.065 0.000 1.004 210 R CA -0.045 56.022 56.100 -0.055 0.000 0.902 210 R CB 1.767 32.036 30.300 -0.052 0.000 1.073 210 R HN 0.757 nan 8.270 nan 0.000 0.457 211 V N 1.497 121.376 119.914 -0.058 0.000 2.495 211 V HA 0.725 4.845 4.120 -0.000 0.000 0.298 211 V C -1.055 175.006 176.094 -0.054 0.000 1.031 211 V CA -0.235 62.028 62.300 -0.061 0.000 0.871 211 V CB 2.190 33.980 31.823 -0.055 0.000 0.988 211 V HN 0.705 nan 8.190 nan 0.000 0.432 212 S N 4.571 120.235 115.700 -0.060 0.000 2.605 212 S HA 0.728 5.198 4.470 -0.000 0.000 0.308 212 S C -0.024 174.550 174.600 -0.043 0.000 1.113 212 S CA -0.284 57.887 58.200 -0.049 0.000 1.049 212 S CB 1.709 64.878 63.200 -0.051 0.000 1.001 212 S HN 1.210 nan 8.310 nan 0.000 0.480 216 S N -0.602 115.086 115.700 -0.019 0.000 2.547 216 S HA 0.446 4.916 4.470 -0.000 0.000 0.270 216 S C 1.000 175.556 174.600 -0.074 0.000 1.150 216 S CA 0.161 58.343 58.200 -0.030 0.000 0.850 216 S CB 1.389 64.586 63.200 -0.005 0.000 1.118 216 S HN 0.597 nan 8.310 nan 0.000 0.461 217 S N 1.541 117.145 115.700 -0.160 0.000 2.465 217 S HA -0.116 4.354 4.470 -0.000 0.000 0.241 217 S C 0.614 174.950 174.600 -0.439 0.000 1.000 217 S CA 1.400 59.410 58.200 -0.318 0.000 0.964 217 S CB -0.585 62.349 63.200 -0.442 0.000 0.763 217 S HN 0.836 nan 8.310 nan 0.000 0.512 218 H N 0.388 119.482 119.070 0.039 0.000 2.916 218 H HA 0.556 5.112 4.556 -0.000 0.000 0.262 218 H C 0.731 176.065 175.328 0.010 0.000 1.178 218 H CA -0.058 56.010 56.048 0.032 0.000 1.090 218 H CB 0.998 30.794 29.762 0.057 0.000 1.657 218 H HN 0.556 nan 8.280 nan 0.000 0.601 219 G N 0.732 109.569 108.800 0.062 0.000 2.348 219 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.606 219 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.606 219 G C -1.236 173.669 174.900 0.008 0.000 1.466 219 G CA -1.266 43.853 45.100 0.031 0.000 0.950 219 G HN 0.208 nan 8.290 nan 0.000 0.657 220 E N 0.555 120.755 120.200 -0.001 0.000 2.529 220 E HA 0.157 4.507 4.350 -0.000 0.000 0.259 220 E C 0.799 177.391 176.600 -0.013 0.000 0.966 220 E CA 0.257 56.652 56.400 -0.007 0.000 0.937 220 E CB 0.943 30.637 29.700 -0.009 0.000 0.923 220 E HN 0.488 nan 8.360 nan 0.000 0.468 221 R N 2.212 122.706 120.500 -0.011 0.000 2.459 221 R HA 0.371 4.711 4.340 -0.000 0.000 0.281 221 R C -0.984 175.308 176.300 -0.014 0.000 1.050 221 R CA -0.461 55.632 56.100 -0.011 0.000 1.055 221 R CB 0.883 31.189 30.300 0.010 0.000 1.045 221 R HN 0.298 nan 8.270 nan 0.000 0.495 222 V N 3.994 123.897 119.914 -0.018 0.000 2.823 222 V HA 0.549 4.669 4.120 -0.000 0.000 0.312 222 V C -0.389 175.667 176.094 -0.062 0.000 1.072 222 V CA -0.677 61.602 62.300 -0.035 0.000 0.937 222 V CB 2.074 33.878 31.823 -0.032 0.000 1.013 222 V HN 0.560 nan 8.190 nan 0.000 0.430 226 L N 3.045 124.213 121.223 -0.092 0.000 3.509 226 L HA -0.237 4.103 4.340 -0.000 0.000 0.608 226 L C -1.064 175.764 176.870 -0.069 0.000 1.032 226 L CA 0.780 55.565 54.840 -0.091 0.000 1.125 226 L CB -1.216 40.768 42.059 -0.126 0.000 1.218 226 L HN 0.116 nan 8.230 nan 0.000 0.727 227 L N 1.475 122.666 121.223 -0.054 0.000 2.330 227 L HA 0.516 4.856 4.340 -0.000 0.000 0.271 227 L C 0.415 177.260 176.870 -0.041 0.000 1.013 227 L CA -0.661 54.154 54.840 -0.042 0.000 0.816 227 L CB 1.618 43.659 42.059 -0.031 0.000 1.287 227 L HN 0.216 nan 8.230 nan 0.000 0.435 228 D N 1.026 121.402 120.400 -0.039 0.000 2.346 228 D HA 0.012 4.652 4.640 -0.000 0.000 0.260 228 D C 0.847 177.121 176.300 -0.043 0.000 1.252 228 D CA 0.196 54.169 54.000 -0.045 0.000 0.895 228 D CB 1.117 41.890 40.800 -0.046 0.000 1.097 228 D HN 0.411 nan 8.370 nan 0.000 0.489 229 K N 3.171 123.543 120.400 -0.047 0.000 2.211 229 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 229 K C 1.438 177.964 176.600 -0.124 0.000 1.047 229 K CA 1.227 57.491 56.287 -0.039 0.000 0.935 229 K CB 0.042 32.528 32.500 -0.023 0.000 0.728 229 K HN 0.414 nan 8.250 nan 0.000 0.452 230 N N -0.548 118.056 118.700 -0.161 0.000 2.333 230 N HA -0.022 4.718 4.740 -0.000 0.000 0.178 230 N C 1.350 176.781 175.510 -0.133 0.000 1.018 230 N CA 0.878 53.794 53.050 -0.222 0.000 0.882 230 N CB 0.009 38.386 38.487 -0.182 0.000 0.984 230 N HN 0.232 nan 8.380 nan 0.000 0.434 231 A N -0.939 121.837 122.820 -0.074 0.000 2.121 231 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 231 A C 2.169 179.742 177.584 -0.018 0.000 1.154 231 A CA 1.480 53.492 52.037 -0.042 0.000 0.679 231 A CB -0.924 18.058 19.000 -0.031 0.000 0.795 231 A HN 0.352 nan 8.150 nan 0.000 0.458 232 T N -1.066 113.488 114.554 -0.001 0.000 3.055 232 T HA 0.000 4.350 4.350 -0.000 0.000 0.265 232 T C 1.148 175.916 174.700 0.114 0.000 1.111 232 T CA 0.259 62.390 62.100 0.052 0.000 1.118 232 T CB -0.300 68.618 68.868 0.083 0.000 0.909 232 T HN 0.460 nan 8.240 nan 0.000 0.501 233 R N 1.993 122.539 120.500 0.078 0.000 2.608 233 R HA 0.321 4.661 4.340 -0.000 0.000 0.277 233 R C -0.990 175.361 176.300 0.087 0.000 1.341 233 R CA -0.105 56.082 56.100 0.145 0.000 1.199 233 R CB -0.506 29.727 30.300 -0.113 0.000 1.156 233 R HN 0.331 nan 8.270 nan 0.000 0.558 234 L N 2.485 123.769 121.223 0.102 0.000 2.334 234 L HA 0.383 4.723 4.340 -0.000 0.000 0.270 234 L C 0.035 176.952 176.870 0.078 0.000 1.018 234 L CA -1.094 53.776 54.840 0.050 0.000 0.811 234 L CB 1.582 43.646 42.059 0.008 0.000 1.271 234 L HN 0.571 nan 8.230 nan 0.000 0.443 235 D N 0.182 120.605 120.400 0.037 0.000 2.340 235 D HA 0.159 4.799 4.640 -0.000 0.000 0.251 235 D C 0.645 176.984 176.300 0.066 0.000 1.080 235 D CA -0.689 53.363 54.000 0.087 0.000 0.971 235 D CB 1.009 41.893 40.800 0.140 0.000 1.137 235 D HN 0.282 nan 8.370 nan 0.000 0.475 236 L N 0.645 121.963 121.223 0.158 0.000 2.261 236 L HA -0.148 4.192 4.340 -0.000 0.000 0.216 236 L C 1.669 178.583 176.870 0.073 0.000 1.114 236 L CA 1.641 56.581 54.840 0.167 0.000 0.777 236 L CB -1.000 41.223 42.059 0.275 0.000 0.910 236 L HN 0.707 nan 8.230 nan 0.000 0.440 237 H N -3.632 115.422 119.070 -0.027 0.000 2.529 237 H HA 0.302 4.858 4.556 0.000 0.000 0.277 237 H C 0.545 175.781 175.328 -0.153 0.000 1.004 237 H CA 0.518 56.434 56.048 -0.221 0.000 1.167 237 H CB 0.071 29.815 29.762 -0.029 0.000 1.445 237 H HN 0.303 nan 8.280 nan 0.000 0.554 238 S N 0.988 116.457 115.700 -0.384 0.000 2.651 238 S HA 0.281 4.751 4.470 -0.000 0.000 0.246 238 S C 1.172 175.690 174.600 -0.138 0.000 1.039 238 S CA -0.447 57.572 58.200 -0.302 0.000 1.013 238 S CB 0.110 63.129 63.200 -0.303 0.000 0.861 238 S HN 0.330 nan 8.310 nan 0.000 0.485 239 L N 0.984 122.143 121.223 -0.106 0.000 2.693 239 L HA 0.409 4.749 4.340 -0.000 0.000 0.235 239 L C 1.189 178.078 176.870 0.032 0.000 1.127 239 L CA -0.090 54.736 54.840 -0.023 0.000 0.914 239 L CB -0.391 41.665 42.059 -0.005 0.000 1.193 239 L HN 0.443 nan 8.230 nan 0.000 0.502 243 A N 0.380 123.295 122.820 0.157 0.000 1.892 243 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 243 A C 2.000 179.706 177.584 0.203 0.000 1.188 243 A CA 2.467 54.608 52.037 0.174 0.000 0.631 243 A CB -1.679 17.384 19.000 0.104 0.000 0.822 243 A HN 1.043 nan 8.150 nan 0.000 0.447 244 H N -0.651 118.464 119.070 0.075 0.000 2.290 244 H HA -0.136 4.420 4.556 -0.000 0.000 0.298 244 H C 2.105 177.474 175.328 0.068 0.000 1.087 244 H CA 1.222 57.304 56.048 0.056 0.000 1.291 244 H CB 0.098 29.886 29.762 0.044 0.000 1.369 244 H HN 0.441 nan 8.280 nan 0.000 0.492 245 N N -0.298 118.503 118.700 0.169 0.000 2.166 245 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 245 N C 1.872 177.466 175.510 0.140 0.000 1.019 245 N CA 1.081 54.173 53.050 0.070 0.000 0.856 245 N CB -0.644 37.848 38.487 0.009 0.000 0.993 245 N HN 0.580 nan 8.380 nan 0.000 0.426 246 H N 0.086 119.190 119.070 0.056 0.000 2.321 246 H HA -0.133 4.423 4.556 0.000 0.000 0.300 246 H C 1.401 176.801 175.328 0.121 0.000 1.087 246 H CA 1.472 57.570 56.048 0.083 0.000 1.319 246 H CB 0.200 30.008 29.762 0.076 0.000 1.379 246 H HN 0.105 nan 8.280 nan 0.000 0.501 247 D N 0.087 120.506 120.400 0.032 0.000 2.084 247 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 247 D C 1.933 178.243 176.300 0.017 0.000 0.990 247 D CA 1.325 55.303 54.000 -0.035 0.000 0.826 247 D CB -0.282 40.543 40.800 0.043 0.000 0.971 247 D HN 0.308 nan 8.370 nan 0.000 0.453 248 N N -0.536 118.211 118.700 0.078 0.000 2.166 248 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 248 N C 1.667 177.222 175.510 0.075 0.000 1.019 248 N CA 0.481 53.563 53.050 0.052 0.000 0.856 248 N CB -0.550 37.944 38.487 0.011 0.000 0.993 248 N HN 0.252 nan 8.380 nan 0.000 0.426 249 F N 2.082 122.015 119.950 -0.027 0.000 2.234 249 F HA -0.008 4.519 4.527 0.000 0.000 0.299 249 F C 2.217 178.007 175.800 -0.017 0.000 1.087 249 F CA 1.037 59.025 58.000 -0.020 0.000 1.340 249 F CB 0.050 39.043 39.000 -0.012 0.000 1.031 249 F HN -0.098 nan 8.300 nan 0.000 0.500 250 R N -0.337 120.154 120.500 -0.015 0.000 2.148 250 R HA -0.027 4.313 4.340 -0.000 0.000 0.223 250 R C 2.175 178.388 176.300 -0.144 0.000 1.088 250 R CA 1.062 57.097 56.100 -0.107 0.000 0.985 250 R CB -0.102 30.141 30.300 -0.096 0.000 0.880 250 R HN 0.290 nan 8.270 nan 0.000 0.451 251 R N -0.259 120.174 120.500 -0.113 0.000 2.127 251 R HA -0.009 4.331 4.340 -0.000 0.000 0.217 251 R C 1.940 178.159 176.300 -0.135 0.000 1.074 251 R CA 0.488 56.526 56.100 -0.102 0.000 0.991 251 R CB -0.244 30.019 30.300 -0.062 0.000 0.895 251 R HN 0.058 nan 8.270 nan 0.000 0.450 252 L N 1.740 122.859 121.223 -0.172 0.000 2.056 252 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 252 L C 2.130 178.845 176.870 -0.259 0.000 1.078 252 L CA 1.543 56.265 54.840 -0.196 0.000 0.749 252 L CB -0.224 41.722 42.059 -0.188 0.000 0.901 252 L HN 0.181 nan 8.230 nan 0.000 0.433 253 I N -4.209 116.133 120.570 -0.380 0.000 2.928 253 I HA -0.126 4.044 4.170 -0.000 0.000 0.266 253 I C 1.705 177.704 176.117 -0.197 0.000 1.234 253 I CA 0.984 62.084 61.300 -0.334 0.000 1.483 253 I CB -0.529 37.201 38.000 -0.450 0.000 1.097 253 I HN 0.057 nan 8.210 nan 0.000 0.455 254 K N 1.235 121.534 120.400 -0.168 0.000 2.444 254 K HA 0.190 4.510 4.320 -0.000 0.000 0.193 254 K C 0.342 176.871 176.600 -0.118 0.000 1.024 254 K CA -0.195 56.021 56.287 -0.120 0.000 1.077 254 K CB 0.125 32.565 32.500 -0.101 0.000 0.833 254 K HN 0.252 nan 8.250 nan 0.000 0.517 255 R N 0.914 121.330 120.500 -0.140 0.000 2.641 255 R HA 0.052 4.392 4.340 -0.000 0.000 0.269 255 R C -1.780 174.413 176.300 -0.178 0.000 1.074 255 R CA -1.369 54.632 56.100 -0.167 0.000 1.133 255 R CB -0.018 30.173 30.300 -0.182 0.000 1.029 255 R HN -0.073 nan 8.270 nan 0.000 0.488 256 P HA -0.060 nan 4.420 nan 0.000 0.217 256 P C -0.625 176.602 177.300 -0.122 0.000 1.151 256 P CA 1.384 64.368 63.100 -0.192 0.000 0.828 256 P CB 0.165 31.733 31.700 -0.220 0.000 0.788 257 H N -4.725 114.313 119.070 -0.052 0.000 3.014 257 H HA 0.712 5.268 4.556 -0.000 0.000 0.337 257 H C -0.113 175.186 175.328 -0.049 0.000 1.320 257 H CA -0.869 55.149 56.048 -0.051 0.000 1.128 257 H CB 0.711 30.427 29.762 -0.077 0.000 1.862 257 H HN 0.255 nan 8.280 nan 0.000 0.536 258 G N -0.324 108.545 108.800 0.115 0.000 2.440 258 G HA2 0.111 4.071 3.960 -0.000 0.000 0.684 258 G HA3 0.111 4.071 3.960 -0.000 0.000 0.684 258 G C -1.438 173.469 174.900 0.012 0.000 1.309 258 G CA -0.625 44.501 45.100 0.044 0.000 0.931 258 G HN 0.716 nan 8.290 nan 0.000 0.612 259 I N 0.481 121.048 120.570 -0.005 0.000 2.331 259 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 259 I C 0.230 176.343 176.117 -0.008 0.000 0.998 259 I CA -0.496 60.799 61.300 -0.009 0.000 1.267 259 I CB 1.283 39.272 38.000 -0.018 0.000 1.386 259 I HN 0.321 nan 8.210 nan 0.000 0.476 260 I N 7.074 127.643 120.570 -0.001 0.000 2.378 260 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 260 I C -0.384 175.762 176.117 0.047 0.000 0.992 260 I CA -0.352 60.963 61.300 0.025 0.000 1.154 260 I CB 1.682 39.688 38.000 0.009 0.000 1.315 260 I HN 0.342 nan 8.210 nan 0.000 0.448 261 L N 6.790 128.048 121.223 0.058 0.000 2.346 261 L HA 0.593 4.933 4.340 -0.000 0.000 0.276 261 L C -0.762 176.152 176.870 0.073 0.000 1.006 261 L CA -0.990 53.878 54.840 0.046 0.000 0.817 261 L CB 2.121 44.187 42.059 0.013 0.000 1.272 261 L HN 0.235 nan 8.230 nan 0.000 0.421 262 V N 1.627 121.579 119.914 0.064 0.000 2.370 262 V HA 0.520 4.640 4.120 -0.000 0.000 0.283 262 V C 0.265 176.377 176.094 0.030 0.000 1.023 262 V CA -0.395 61.938 62.300 0.055 0.000 0.857 262 V CB 1.666 33.526 31.823 0.063 0.000 0.985 262 V HN 0.903 nan 8.190 nan 0.000 0.443 263 T N 1.297 115.865 114.554 0.022 0.000 2.916 263 T HA 0.979 5.329 4.350 -0.000 0.000 0.292 263 T C -0.129 174.580 174.700 0.015 0.000 1.055 263 T CA -0.212 61.897 62.100 0.014 0.000 1.009 263 T CB 2.184 71.052 68.868 0.000 0.000 1.118 263 T HN 1.547 nan 8.240 nan 0.000 0.497 264 G N 1.051 109.866 108.800 0.025 0.000 2.361 264 G HA2 0.447 4.407 3.960 -0.000 0.000 0.305 264 G HA3 0.447 4.407 3.960 -0.000 0.000 0.305 264 G C -3.497 171.434 174.900 0.051 0.000 1.367 264 G CA -0.792 44.321 45.100 0.022 0.000 0.951 264 G HN 0.743 nan 8.290 nan 0.000 0.615 265 P HA 0.355 nan 4.420 nan 0.000 0.274 265 P C 0.326 177.629 177.300 0.005 0.000 1.256 265 P CA 0.054 63.175 63.100 0.036 0.000 0.795 265 P CB 0.397 32.102 31.700 0.008 0.000 1.038 266 T N 0.358 114.895 114.554 -0.029 0.000 2.928 266 T HA 0.334 4.684 4.350 -0.000 0.000 0.305 266 T C 1.317 175.994 174.700 -0.038 0.000 1.035 266 T CA 1.727 63.801 62.100 -0.044 0.000 1.145 266 T CB -0.634 68.187 68.868 -0.079 0.000 0.963 266 T HN 0.824 nan 8.240 nan 0.000 0.545 267 G N 2.298 111.077 108.800 -0.035 0.000 2.157 267 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.248 267 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.248 267 G C 1.124 176.001 174.900 -0.038 0.000 0.979 267 G CA 0.340 45.417 45.100 -0.038 0.000 0.650 267 G HN 0.680 nan 8.290 nan 0.000 0.529 268 S N -0.205 115.476 115.700 -0.031 0.000 2.522 268 S HA 0.361 4.831 4.470 -0.000 0.000 0.227 268 S C 2.054 176.635 174.600 -0.033 0.000 0.986 268 S CA 1.361 59.539 58.200 -0.036 0.000 0.929 268 S CB -0.078 63.107 63.200 -0.025 0.000 0.769 268 S HN 2.233 nan 8.310 nan 0.000 0.529 269 G N 1.897 110.682 108.800 -0.024 0.000 2.182 269 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 269 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 269 G C 0.605 175.503 174.900 -0.004 0.000 1.042 269 G CA 0.457 45.546 45.100 -0.018 0.000 0.775 269 G HN 0.469 nan 8.290 nan 0.000 0.501 270 K N -0.130 120.270 120.400 0.001 0.000 2.211 270 K HA 0.027 4.347 4.320 -0.000 0.000 0.203 270 K C 2.624 179.240 176.600 0.028 0.000 1.050 270 K CA 1.203 57.501 56.287 0.019 0.000 0.945 270 K CB -0.133 32.381 32.500 0.024 0.000 0.732 270 K HN 0.322 nan 8.250 nan 0.000 0.451 271 S N 0.325 116.021 115.700 -0.006 0.000 2.345 271 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 271 S C 1.909 176.484 174.600 -0.042 0.000 1.031 271 S CA 1.548 59.722 58.200 -0.043 0.000 0.996 271 S CB -0.232 62.879 63.200 -0.149 0.000 0.882 271 S HN 0.289 nan 8.310 nan 0.000 0.445 272 T N 1.591 116.117 114.554 -0.047 0.000 2.665 272 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 272 T C 2.163 176.923 174.700 0.100 0.000 1.035 272 T CA 2.134 64.245 62.100 0.019 0.000 1.151 272 T CB -0.924 67.958 68.868 0.024 0.000 0.862 272 T HN 0.804 nan 8.240 nan 0.000 0.438 273 T N 0.960 115.562 114.554 0.081 0.000 2.857 273 T HA 0.088 4.438 4.350 -0.000 0.000 0.266 273 T C 2.068 176.872 174.700 0.174 0.000 1.048 273 T CA 0.583 62.740 62.100 0.095 0.000 1.139 273 T CB -0.665 68.208 68.868 0.009 0.000 0.874 273 T HN 0.259 nan 8.240 nan 0.000 0.455 274 L N -0.702 120.629 121.223 0.179 0.000 1.971 274 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 274 L C 2.792 179.793 176.870 0.220 0.000 1.072 274 L CA 2.006 56.968 54.840 0.204 0.000 0.758 274 L CB -0.792 41.381 42.059 0.191 0.000 0.889 274 L HN 0.194 nan 8.230 nan 0.000 0.433 275 Y N -0.065 120.254 120.300 0.032 0.000 2.193 275 Y HA -0.284 4.266 4.550 0.000 0.000 0.285 275 Y C 2.599 178.547 175.900 0.080 0.000 1.166 275 Y CA 1.241 59.358 58.100 0.028 0.000 1.181 275 Y CB -0.803 37.647 38.460 -0.018 0.000 0.976 275 Y HN 0.176 nan 8.280 nan 0.000 0.520 276 A N -0.396 122.574 122.820 0.250 0.000 1.898 276 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 276 A C 2.623 180.316 177.584 0.180 0.000 1.181 276 A CA 1.675 53.831 52.037 0.198 0.000 0.620 276 A CB -1.419 17.685 19.000 0.174 0.000 0.819 276 A HN 0.456 nan 8.150 nan 0.000 0.442 277 G N -0.118 108.807 108.800 0.208 0.000 2.421 277 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 277 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 277 G C 1.555 176.493 174.900 0.064 0.000 1.171 277 G CA 0.981 46.186 45.100 0.175 0.000 0.775 277 G HN 0.412 nan 8.290 nan 0.000 0.543 278 L N 0.123 121.366 121.223 0.035 0.000 2.042 278 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 278 L C 2.959 179.820 176.870 -0.015 0.000 1.076 278 L CA 1.639 56.461 54.840 -0.030 0.000 0.749 278 L CB -0.385 41.603 42.059 -0.118 0.000 0.893 278 L HN 0.301 nan 8.230 nan 0.000 0.432 279 Q N 0.803 120.615 119.800 0.020 0.000 2.119 279 Q HA -0.262 4.078 4.340 -0.000 0.000 0.201 279 Q C 1.902 177.930 176.000 0.047 0.000 0.972 279 Q CA 1.851 57.678 55.803 0.041 0.000 0.847 279 Q CB -0.145 28.647 28.738 0.089 0.000 0.903 279 Q HN 0.409 nan 8.270 nan 0.000 0.433 280 E N -0.594 119.642 120.200 0.061 0.000 2.265 280 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 280 E C 1.150 177.758 176.600 0.014 0.000 0.996 280 E CA 1.123 57.554 56.400 0.052 0.000 0.832 280 E CB -0.081 29.661 29.700 0.070 0.000 0.756 280 E HN 0.548 nan 8.360 nan 0.000 0.491 281 L N -0.079 121.144 121.223 -0.001 0.000 2.590 281 L HA 0.186 4.526 4.340 -0.000 0.000 0.227 281 L C 0.782 177.645 176.870 -0.013 0.000 1.099 281 L CA -0.279 54.550 54.840 -0.018 0.000 0.872 281 L CB 0.020 42.059 42.059 -0.034 0.000 1.088 281 L HN -0.010 nan 8.230 nan 0.000 0.479 282 N N 1.277 119.974 118.700 -0.006 0.000 2.744 282 N HA -0.026 4.714 4.740 -0.000 0.000 0.290 282 N C -0.395 175.115 175.510 -0.001 0.000 1.206 282 N CA 0.227 53.272 53.050 -0.007 0.000 1.119 282 N CB 0.131 38.614 38.487 -0.005 0.000 1.449 282 N HN 0.033 nan 8.380 nan 0.000 0.514 283 S N 0.541 116.238 115.700 -0.005 0.000 2.568 283 S HA 0.330 4.800 4.470 -0.000 0.000 0.302 283 S C 1.166 175.764 174.600 -0.003 0.000 1.082 283 S CA -0.461 57.738 58.200 -0.003 0.000 1.009 283 S CB 0.937 64.134 63.200 -0.005 0.000 1.069 283 S HN 0.468 nan 8.310 nan 0.000 0.500 284 S N 1.697 117.396 115.700 -0.001 0.000 2.547 284 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 284 S C 1.347 175.946 174.600 -0.001 0.000 0.980 284 S CA 1.084 59.284 58.200 -0.001 0.000 0.941 284 S CB -0.425 62.775 63.200 0.001 0.000 0.763 284 S HN 0.846 nan 8.310 nan 0.000 0.532 285 E N 1.285 121.483 120.200 -0.003 0.000 2.371 285 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 285 E C 0.506 177.105 176.600 -0.002 0.000 1.012 285 E CA 0.025 56.424 56.400 -0.002 0.000 0.860 285 E CB 0.144 29.841 29.700 -0.005 0.000 0.811 285 E HN 0.552 nan 8.360 nan 0.000 0.502 286 R N 0.666 121.163 120.500 -0.004 0.000 2.668 286 R HA 0.317 4.657 4.340 -0.000 0.000 0.279 286 R C -0.626 175.673 176.300 -0.002 0.000 0.976 286 R CA -0.765 55.333 56.100 -0.002 0.000 0.978 286 R CB 0.902 31.198 30.300 -0.008 0.000 1.133 286 R HN -0.068 nan 8.270 nan 0.000 0.484 287 N N 2.455 121.157 118.700 0.002 0.000 2.558 287 N HA 0.239 4.979 4.740 -0.000 0.000 0.242 287 N C -1.260 174.245 175.510 -0.009 0.000 0.979 287 N CA -0.376 52.673 53.050 -0.002 0.000 0.931 287 N CB 0.546 39.035 38.487 0.003 0.000 1.122 287 N HN 0.478 nan 8.380 nan 0.000 0.508 288 I N 4.138 124.697 120.570 -0.019 0.000 2.307 288 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 288 I C -0.123 175.972 176.117 -0.038 0.000 1.021 288 I CA -0.566 60.715 61.300 -0.031 0.000 1.224 288 I CB 0.845 38.820 38.000 -0.042 0.000 1.376 288 I HN 0.256 nan 8.210 nan 0.000 0.470 289 L N 5.135 126.335 121.223 -0.039 0.000 2.322 289 L HA 0.712 5.052 4.340 -0.000 0.000 0.269 289 L C 0.067 176.915 176.870 -0.037 0.000 1.012 289 L CA -0.543 54.274 54.840 -0.038 0.000 0.815 289 L CB 2.256 44.293 42.059 -0.037 0.000 1.295 289 L HN 0.520 nan 8.230 nan 0.000 0.438 290 T N 0.494 115.033 114.554 -0.025 0.000 2.916 290 T HA 0.595 4.945 4.350 -0.000 0.000 0.305 290 T C -1.758 172.963 174.700 0.034 0.000 1.119 290 T CA -0.521 61.575 62.100 -0.007 0.000 1.008 290 T CB 2.041 70.888 68.868 -0.036 0.000 1.129 290 T HN 0.334 nan 8.240 nan 0.000 0.480 291 V N 3.478 123.447 119.914 0.091 0.000 2.531 291 V HA 0.724 4.844 4.120 -0.000 0.000 0.301 291 V C -1.064 175.198 176.094 0.281 0.000 1.034 291 V CA -0.335 62.058 62.300 0.155 0.000 0.865 291 V CB 1.615 33.557 31.823 0.198 0.000 0.995 291 V HN 1.055 nan 8.190 nan 0.000 0.424 292 E N 3.800 124.105 120.200 0.175 0.000 2.367 292 E HA 0.484 4.834 4.350 -0.000 0.000 0.273 292 E C -1.764 174.833 176.600 -0.006 0.000 0.903 292 E CA -0.720 55.795 56.400 0.191 0.000 0.764 292 E CB 2.659 32.439 29.700 0.133 0.000 1.252 292 E HN 0.637 nan 8.360 nan 0.000 0.446 293 D N 2.406 122.817 120.400 0.019 0.000 2.405 293 D HA 0.261 4.901 4.640 -0.000 0.000 0.264 293 D C -2.370 173.917 176.300 -0.022 0.000 1.240 293 D CA -1.414 52.512 54.000 -0.124 0.000 0.893 293 D CB 0.751 41.331 40.800 -0.367 0.000 1.198 293 D HN 0.168 nan 8.370 nan 0.000 0.514 294 P HA 0.505 nan 4.420 nan 0.000 0.304 294 P C 0.100 177.400 177.300 -0.001 0.000 1.310 294 P CA -0.729 62.352 63.100 -0.031 0.000 0.796 294 P CB 1.162 32.845 31.700 -0.028 0.000 1.297 295 I N 1.174 121.750 120.570 0.010 0.000 2.618 295 I HA -0.043 4.127 4.170 -0.000 0.000 0.284 295 I C 1.833 177.944 176.117 -0.010 0.000 1.146 295 I CA 0.029 61.351 61.300 0.037 0.000 1.425 295 I CB 0.233 38.267 38.000 0.056 0.000 1.383 295 I HN 0.310 nan 8.210 nan 0.000 0.562 296 E N 5.912 126.040 120.200 -0.119 0.000 2.016 296 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 296 E C -0.124 176.397 176.600 -0.131 0.000 0.985 296 E CA 1.426 57.642 56.400 -0.306 0.000 0.802 296 E CB 0.115 29.319 29.700 -0.826 0.000 0.762 296 E HN 0.606 nan 8.360 nan 0.000 0.448 297 F N -0.864 119.139 119.950 0.089 0.000 2.711 297 F HA 0.429 4.956 4.527 -0.000 0.000 0.313 297 F C -0.694 175.234 175.800 0.213 0.000 1.141 297 F CA -1.704 56.370 58.000 0.124 0.000 0.941 297 F CB 0.571 39.616 39.000 0.075 0.000 1.349 297 F HN -0.359 nan 8.300 nan 0.000 0.464 298 D N 0.633 121.253 120.400 0.367 0.000 2.350 298 D HA 0.369 5.009 4.640 -0.000 0.000 0.249 298 D C 0.547 177.000 176.300 0.255 0.000 1.119 298 D CA 0.116 54.253 54.000 0.229 0.000 0.886 298 D CB 0.953 41.838 40.800 0.142 0.000 1.195 298 D HN 0.581 nan 8.370 nan 0.000 0.437 299 I N 1.299 121.952 120.570 0.138 0.000 2.731 299 I HA 0.070 4.240 4.170 -0.000 0.000 0.260 299 I C -0.025 176.133 176.117 0.068 0.000 1.138 299 I CA 0.125 61.488 61.300 0.105 0.000 1.461 299 I CB -0.090 37.897 38.000 -0.022 0.000 1.128 299 I HN 0.532 nan 8.210 nan 0.000 0.438 300 D N 0.491 120.916 120.400 0.042 0.000 4.280 300 D HA -0.045 4.595 4.640 -0.000 0.000 0.225 300 D C 0.357 176.667 176.300 0.017 0.000 1.273 300 D CA 0.903 54.922 54.000 0.032 0.000 0.948 300 D CB -0.806 40.018 40.800 0.040 0.000 0.545 300 D HN 0.597 nan 8.370 nan 0.000 0.247 301 G N 2.261 111.066 108.800 0.007 0.000 2.231 301 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.206 301 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.206 301 G C 0.382 175.275 174.900 -0.012 0.000 0.996 301 G CA -0.039 45.061 45.100 -0.000 0.000 0.645 301 G HN 0.697 nan 8.290 nan 0.000 0.498 302 I N 2.031 122.590 120.570 -0.020 0.000 2.389 302 I HA 0.525 4.695 4.170 -0.000 0.000 0.288 302 I C 0.916 177.014 176.117 -0.031 0.000 0.999 302 I CA -0.706 60.571 61.300 -0.039 0.000 1.129 302 I CB 1.867 39.820 38.000 -0.077 0.000 1.288 302 I HN 0.129 nan 8.210 nan 0.000 0.444 303 G N 5.950 114.734 108.800 -0.027 0.000 2.356 303 G HA2 0.326 4.286 3.960 -0.000 0.000 0.273 303 G HA3 0.326 4.286 3.960 -0.000 0.000 0.273 303 G C -0.454 174.433 174.900 -0.022 0.000 1.213 303 G CA -0.213 44.876 45.100 -0.018 0.000 0.955 303 G HN 0.624 nan 8.290 nan 0.000 0.454 304 Q N 1.274 121.067 119.800 -0.012 0.000 2.337 304 Q HA 0.514 4.854 4.340 -0.000 0.000 0.266 304 Q C -0.715 175.288 176.000 0.005 0.000 1.023 304 Q CA -0.535 55.265 55.803 -0.006 0.000 0.829 304 Q CB 2.519 31.258 28.738 0.000 0.000 1.306 304 Q HN 0.453 nan 8.270 nan 0.000 0.449 305 T N 1.940 116.500 114.554 0.011 0.000 2.861 305 T HA 0.318 4.668 4.350 -0.000 0.000 0.287 305 T C -1.059 173.642 174.700 0.002 0.000 1.003 305 T CA -0.617 61.486 62.100 0.006 0.000 0.977 305 T CB 1.770 70.642 68.868 0.006 0.000 0.996 305 T HN 0.440 nan 8.240 nan 0.000 0.448 306 Q N 2.017 121.806 119.800 -0.019 0.000 2.282 306 Q HA 0.598 4.938 4.340 -0.000 0.000 0.260 306 Q C -0.245 175.700 176.000 -0.092 0.000 0.964 306 Q CA -0.852 54.923 55.803 -0.048 0.000 0.880 306 Q CB 1.553 30.270 28.738 -0.036 0.000 1.286 306 Q HN 0.651 nan 8.270 nan 0.000 0.445 307 V N 3.110 122.917 119.914 -0.178 0.000 2.479 307 V HA 0.304 4.424 4.120 -0.000 0.000 0.281 307 V C -0.892 175.109 176.094 -0.156 0.000 1.031 307 V CA -0.069 62.094 62.300 -0.229 0.000 1.038 307 V CB 0.740 32.279 31.823 -0.474 0.000 0.981 307 V HN 0.807 nan 8.190 nan 0.000 0.478 308 N N 6.274 124.909 118.700 -0.109 0.000 2.569 308 N HA 0.576 5.316 4.740 -0.000 0.000 0.254 308 N C -1.829 173.641 175.510 -0.067 0.000 1.004 308 N CA -2.055 50.949 53.050 -0.076 0.000 0.904 308 N CB 2.117 40.572 38.487 -0.053 0.000 1.165 308 N HN 0.379 nan 8.380 nan 0.000 0.513 309 P HA -0.085 nan 4.420 nan 0.000 0.218 309 P C 0.989 178.268 177.300 -0.035 0.000 1.148 309 P CA 0.945 64.015 63.100 -0.051 0.000 0.822 309 P CB 0.294 31.965 31.700 -0.048 0.000 0.784 310 R N -0.300 120.180 120.500 -0.033 0.000 2.211 310 R HA -0.071 4.269 4.340 -0.000 0.000 0.240 310 R C 0.900 177.188 176.300 -0.021 0.000 1.144 310 R CA 1.407 57.492 56.100 -0.024 0.000 0.992 310 R CB -0.375 29.912 30.300 -0.023 0.000 0.869 310 R HN 0.222 nan 8.270 nan 0.000 0.462 311 V N -2.772 117.128 119.914 -0.023 0.000 2.991 311 V HA 0.212 4.332 4.120 -0.000 0.000 0.355 311 V C -0.352 175.731 176.094 -0.018 0.000 1.384 311 V CA -0.641 61.648 62.300 -0.019 0.000 1.171 311 V CB -0.127 31.686 31.823 -0.017 0.000 1.190 311 V HN 0.127 nan 8.190 nan 0.000 0.540 315 F N 1.268 121.216 119.950 -0.002 0.000 2.120 315 F HA 0.063 4.590 4.527 -0.000 0.000 0.300 315 F C 2.981 178.778 175.800 -0.006 0.000 1.095 315 F CA 2.185 60.184 58.000 -0.003 0.000 1.249 315 F CB -1.078 37.923 39.000 0.001 0.000 0.995 315 F HN 0.874 nan 8.300 nan 0.000 0.480 316 A N -0.580 122.358 122.820 0.197 0.000 1.873 316 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 316 A C 2.384 180.007 177.584 0.066 0.000 1.186 316 A CA 1.609 53.707 52.037 0.102 0.000 0.616 316 A CB -0.702 18.342 19.000 0.073 0.000 0.823 316 A HN 0.288 nan 8.150 nan 0.000 0.442 317 R N -0.902 119.629 120.500 0.052 0.000 2.075 317 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 317 R C 2.299 178.615 176.300 0.026 0.000 1.126 317 R CA 1.287 57.404 56.100 0.028 0.000 0.963 317 R CB -0.531 29.777 30.300 0.014 0.000 0.858 317 R HN 0.519 nan 8.270 nan 0.000 0.435 318 G N 0.739 109.562 108.800 0.038 0.000 2.402 318 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 318 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 318 G C 1.251 176.172 174.900 0.035 0.000 1.162 318 G CA 0.449 45.569 45.100 0.033 0.000 0.777 318 G HN 0.281 nan 8.290 nan 0.000 0.539 319 L N 0.317 121.574 121.223 0.057 0.000 2.141 319 L HA 0.210 4.550 4.340 -0.000 0.000 0.209 319 L C 2.661 179.527 176.870 -0.005 0.000 1.094 319 L CA 1.519 56.375 54.840 0.027 0.000 0.763 319 L CB -0.493 41.588 42.059 0.037 0.000 0.908 319 L HN 0.124 nan 8.230 nan 0.000 0.437 320 R N -0.590 119.913 120.500 0.005 0.000 2.083 320 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 320 R C 2.234 178.526 176.300 -0.015 0.000 1.137 320 R CA 1.561 57.658 56.100 -0.005 0.000 0.951 320 R CB -0.497 29.806 30.300 0.005 0.000 0.851 320 R HN 0.555 nan 8.270 nan 0.000 0.434 321 A N 0.834 123.648 122.820 -0.009 0.000 1.898 321 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 321 A C 2.112 179.680 177.584 -0.027 0.000 1.181 321 A CA 1.172 53.201 52.037 -0.013 0.000 0.620 321 A CB -0.508 18.488 19.000 -0.007 0.000 0.819 321 A HN 0.288 nan 8.150 nan 0.000 0.442 322 I N -0.325 120.227 120.570 -0.031 0.000 2.236 322 I HA -0.302 3.868 4.170 -0.000 0.000 0.249 322 I C 2.047 178.107 176.117 -0.094 0.000 1.102 322 I CA 1.298 62.567 61.300 -0.053 0.000 1.365 322 I CB -0.235 37.736 38.000 -0.050 0.000 1.051 322 I HN 0.304 nan 8.210 nan 0.000 0.420 323 L N -0.118 121.042 121.223 -0.106 0.000 2.478 323 L HA -0.063 4.277 4.340 -0.000 0.000 0.223 323 L C 2.080 178.903 176.870 -0.078 0.000 1.140 323 L CA 0.663 55.409 54.840 -0.155 0.000 0.842 323 L CB -0.344 41.633 42.059 -0.137 0.000 0.953 323 L HN 0.139 nan 8.230 nan 0.000 0.452 324 R N -0.440 120.034 120.500 -0.043 0.000 2.334 324 R HA 0.053 4.393 4.340 -0.000 0.000 0.220 324 R C 0.790 177.080 176.300 -0.017 0.000 0.917 324 R CA 0.098 56.186 56.100 -0.018 0.000 1.073 324 R CB 0.194 30.488 30.300 -0.010 0.000 1.056 324 R HN 0.329 nan 8.270 nan 0.000 0.506 325 Q N 0.866 120.647 119.800 -0.031 0.000 2.189 325 Q HA 0.007 4.347 4.340 -0.000 0.000 0.221 325 Q C -0.599 175.392 176.000 -0.016 0.000 0.848 325 Q CA 0.026 55.815 55.803 -0.022 0.000 1.007 325 Q CB 0.435 29.157 28.738 -0.026 0.000 1.116 325 Q HN 0.161 nan 8.270 nan 0.000 0.481 326 D N 1.421 121.817 120.400 -0.006 0.000 2.697 326 D HA -0.118 4.522 4.640 -0.000 0.000 0.238 326 D C -2.490 173.828 176.300 0.029 0.000 1.152 326 D CA 0.202 54.218 54.000 0.026 0.000 0.666 326 D CB -0.082 40.734 40.800 0.027 0.000 1.037 326 D HN 0.199 nan 8.370 nan 0.000 0.423 327 P HA 0.334 nan 4.420 nan 0.000 0.284 327 P C -0.036 177.324 177.300 0.101 0.000 1.258 327 P CA -0.343 62.761 63.100 0.006 0.000 0.824 327 P CB 1.057 32.714 31.700 -0.073 0.000 1.038 328 D N -0.540 119.906 120.400 0.075 0.000 2.324 328 D HA 0.091 4.731 4.640 -0.000 0.000 0.212 328 D C -0.034 176.319 176.300 0.089 0.000 0.984 328 D CA 0.891 54.950 54.000 0.099 0.000 0.885 328 D CB 0.305 41.133 40.800 0.046 0.000 0.996 328 D HN 0.044 nan 8.370 nan 0.000 0.505 329 V N 0.898 120.836 119.914 0.039 0.000 2.709 329 V HA 0.560 4.680 4.120 -0.000 0.000 0.308 329 V C -0.484 175.604 176.094 -0.009 0.000 1.062 329 V CA -0.911 61.399 62.300 0.017 0.000 0.901 329 V CB 2.325 34.142 31.823 -0.010 0.000 1.003 329 V HN -0.070 nan 8.190 nan 0.000 0.425 333 G N 3.341 112.116 108.800 -0.042 0.000 2.599 333 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 333 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 333 G C 0.288 175.108 174.900 -0.133 0.000 1.193 333 G CA 1.802 46.928 45.100 0.042 0.000 0.778 333 G HN 0.951 nan 8.290 nan 0.000 0.589 334 E N -1.457 118.448 120.200 -0.492 0.000 2.392 334 E HA 0.538 4.888 4.350 -0.000 0.000 0.279 334 E C -1.518 174.784 176.600 -0.496 0.000 0.964 334 E CA -0.971 55.228 56.400 -0.335 0.000 0.777 334 E CB 1.530 31.174 29.700 -0.094 0.000 1.249 334 E HN 0.085 nan 8.360 nan 0.000 0.449 335 I N 2.303 122.715 120.570 -0.263 0.000 2.301 335 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 335 I C 1.069 177.117 176.117 -0.114 0.000 1.046 335 I CA -0.136 61.042 61.300 -0.204 0.000 1.282 335 I CB 0.509 38.426 38.000 -0.138 0.000 1.409 335 I HN 0.493 nan 8.210 nan 0.000 0.484 336 R N 2.864 123.320 120.500 -0.073 0.000 2.164 336 R HA 0.089 4.429 4.340 -0.000 0.000 0.198 336 R C -0.344 175.964 176.300 0.013 0.000 1.028 336 R CA 0.356 56.462 56.100 0.011 0.000 1.083 336 R CB 0.334 30.686 30.300 0.087 0.000 1.026 336 R HN 0.694 nan 8.270 nan 0.000 0.514 337 D N -0.888 119.518 120.400 0.010 0.000 2.450 337 D HA 0.072 4.712 4.640 -0.000 0.000 0.238 337 D C 0.571 176.869 176.300 -0.003 0.000 1.020 337 D CA -0.757 53.252 54.000 0.014 0.000 1.010 337 D CB 0.767 41.587 40.800 0.034 0.000 1.342 337 D HN -0.231 nan 8.370 nan 0.000 0.530 338 L N 0.114 121.337 121.223 0.001 0.000 2.013 338 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 338 L C 1.910 178.779 176.870 -0.001 0.000 1.073 338 L CA 2.081 56.919 54.840 -0.002 0.000 0.753 338 L CB -0.785 41.275 42.059 0.003 0.000 0.890 338 L HN 0.761 nan 8.230 nan 0.000 0.432 339 E N -1.508 118.697 120.200 0.008 0.000 2.051 339 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 339 E C 1.919 178.523 176.600 0.007 0.000 0.991 339 E CA 1.775 58.182 56.400 0.011 0.000 0.799 339 E CB -0.114 29.599 29.700 0.021 0.000 0.748 339 E HN 0.560 nan 8.360 nan 0.000 0.449 340 T N 0.723 115.281 114.554 0.008 0.000 2.720 340 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 340 T C 1.818 176.496 174.700 -0.038 0.000 1.037 340 T CA 1.280 63.373 62.100 -0.012 0.000 1.144 340 T CB -0.321 68.530 68.868 -0.029 0.000 0.864 340 T HN 0.348 nan 8.240 nan 0.000 0.444 341 A N 1.215 124.012 122.820 -0.038 0.000 1.883 341 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 341 A C 2.279 179.847 177.584 -0.027 0.000 1.186 341 A CA 1.796 53.809 52.037 -0.040 0.000 0.624 341 A CB -0.735 18.243 19.000 -0.037 0.000 0.822 341 A HN 0.524 nan 8.150 nan 0.000 0.444 342 Q N -0.661 119.130 119.800 -0.016 0.000 2.084 342 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 342 Q C 2.004 178.000 176.000 -0.007 0.000 0.978 342 Q CA 1.735 57.532 55.803 -0.009 0.000 0.844 342 Q CB -0.319 28.418 28.738 -0.002 0.000 0.898 342 Q HN 0.768 nan 8.270 nan 0.000 0.426 343 I N 0.247 120.814 120.570 -0.006 0.000 2.252 343 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 343 I C 2.363 178.476 176.117 -0.006 0.000 1.102 343 I CA 0.923 62.222 61.300 -0.003 0.000 1.385 343 I CB -0.413 37.587 38.000 -0.000 0.000 1.064 343 I HN 0.167 nan 8.210 nan 0.000 0.414 344 A N 0.584 123.393 122.820 -0.019 0.000 1.883 344 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 344 A C 2.450 180.028 177.584 -0.011 0.000 1.186 344 A CA 2.040 54.064 52.037 -0.022 0.000 0.624 344 A CB -1.098 17.877 19.000 -0.043 0.000 0.822 344 A HN 0.230 nan 8.150 nan 0.000 0.444 345 V N 0.196 120.099 119.914 -0.019 0.000 2.392 345 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 345 V C 2.721 178.808 176.094 -0.012 0.000 1.059 345 V CA 2.086 64.372 62.300 -0.024 0.000 1.051 345 V CB -0.774 31.028 31.823 -0.036 0.000 0.658 345 V HN 0.569 nan 8.190 nan 0.000 0.455 346 Q N -0.235 119.565 119.800 0.000 0.000 2.123 346 Q HA -0.052 4.288 4.340 -0.000 0.000 0.199 346 Q C 2.489 178.519 176.000 0.050 0.000 0.966 346 Q CA 1.671 57.482 55.803 0.013 0.000 0.845 346 Q CB -0.636 28.112 28.738 0.016 0.000 0.907 346 Q HN 0.638 nan 8.270 nan 0.000 0.439 347 A N 1.404 124.267 122.820 0.072 0.000 1.908 347 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 347 A C 2.359 180.080 177.584 0.228 0.000 1.181 347 A CA 2.302 54.450 52.037 0.185 0.000 0.627 347 A CB -0.679 18.362 19.000 0.068 0.000 0.818 347 A HN 0.444 nan 8.150 nan 0.000 0.445 348 S N -0.799 114.956 115.700 0.093 0.000 2.461 348 S HA 0.069 4.539 4.470 -0.000 0.000 0.228 348 S C 1.607 176.205 174.600 -0.003 0.000 1.005 348 S CA 1.028 59.264 58.200 0.060 0.000 0.942 348 S CB -0.408 62.810 63.200 0.030 0.000 0.776 348 S HN 0.434 nan 8.310 nan 0.000 0.514 349 L N 1.580 122.784 121.223 -0.031 0.000 2.567 349 L HA 0.165 4.505 4.340 -0.000 0.000 0.225 349 L C 1.730 178.513 176.870 -0.146 0.000 1.119 349 L CA 0.936 55.722 54.840 -0.091 0.000 0.871 349 L CB -0.176 41.839 42.059 -0.073 0.000 1.036 349 L HN 0.505 nan 8.230 nan 0.000 0.459 350 T N -3.997 110.474 114.554 -0.138 0.000 3.176 350 T HA 0.386 4.736 4.350 -0.000 0.000 0.263 350 T C 1.155 175.577 174.700 -0.463 0.000 1.021 350 T CA 0.308 62.281 62.100 -0.211 0.000 0.905 350 T CB 0.718 69.545 68.868 -0.068 0.000 1.057 350 T HN 0.317 nan 8.240 nan 0.000 0.558 351 G N 1.105 109.617 108.800 -0.482 0.000 2.143 351 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.175 351 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.175 351 G C -0.378 174.285 174.900 -0.394 0.000 1.004 351 G CA -0.606 44.221 45.100 -0.455 0.000 0.671 351 G HN 0.748 nan 8.290 nan 0.000 0.512 352 H N -1.132 117.961 119.070 0.038 0.000 2.529 352 H HA 0.668 5.224 4.556 -0.000 0.000 0.348 352 H C -0.107 175.250 175.328 0.050 0.000 1.152 352 H CA -0.968 55.101 56.048 0.035 0.000 1.202 352 H CB 2.177 31.942 29.762 0.006 0.000 1.562 352 H HN 0.220 nan 8.280 nan 0.000 0.515 353 L N 3.360 124.667 121.223 0.139 0.000 2.276 353 L HA 0.386 4.726 4.340 -0.000 0.000 0.286 353 L C -0.976 175.923 176.870 0.049 0.000 1.061 353 L CA -0.066 54.811 54.840 0.060 0.000 0.807 353 L CB 0.307 42.368 42.059 0.004 0.000 1.177 353 L HN 0.460 nan 8.230 nan 0.000 0.429 357 T N 0.337 114.871 114.554 -0.033 0.000 2.916 357 T HA 0.856 5.206 4.350 -0.000 0.000 0.292 357 T C -1.058 173.621 174.700 -0.035 0.000 1.055 357 T CA -0.706 61.387 62.100 -0.012 0.000 1.009 357 T CB 1.135 70.010 68.868 0.012 0.000 1.118 357 T HN 0.555 nan 8.240 nan 0.000 0.497 358 L N 1.096 122.301 121.223 -0.030 0.000 2.359 358 L HA 0.524 4.864 4.340 -0.000 0.000 0.256 358 L C -0.003 176.846 176.870 -0.036 0.000 1.026 358 L CA -1.352 53.441 54.840 -0.079 0.000 0.828 358 L CB 2.260 44.246 42.059 -0.121 0.000 1.406 358 L HN 1.068 nan 8.230 nan 0.000 0.413 359 H N -2.538 116.523 119.070 -0.015 0.000 2.550 359 H HA 0.224 4.780 4.556 -0.000 0.000 0.304 359 H C 0.283 175.604 175.328 -0.012 0.000 1.086 359 H CA -0.428 55.612 56.048 -0.013 0.000 1.089 359 H CB -0.780 28.976 29.762 -0.011 0.000 1.528 359 H HN 0.531 nan 8.280 nan 0.000 0.539 360 T N -2.662 111.837 114.554 -0.091 0.000 2.795 360 T HA -0.019 4.331 4.350 -0.000 0.000 0.314 360 T C 1.067 175.767 174.700 0.001 0.000 1.069 360 T CA -0.516 61.554 62.100 -0.049 0.000 1.071 360 T CB 0.968 69.799 68.868 -0.062 0.000 0.988 360 T HN 0.443 nan 8.240 nan 0.000 0.543 361 N N 0.337 119.038 118.700 0.002 0.000 2.356 361 N HA 0.086 4.826 4.740 -0.000 0.000 0.178 361 N C 0.499 176.007 175.510 -0.004 0.000 1.075 361 N CA 0.547 53.600 53.050 0.005 0.000 0.889 361 N CB 0.359 38.851 38.487 0.007 0.000 0.999 361 N HN 0.929 nan 8.380 nan 0.000 0.464 362 T N -3.705 110.846 114.554 -0.006 0.000 2.916 362 T HA 0.673 5.023 4.350 -0.000 0.000 0.292 362 T C 1.167 175.865 174.700 -0.003 0.000 1.064 362 T CA -0.498 61.599 62.100 -0.005 0.000 1.011 362 T CB 2.124 70.990 68.868 -0.004 0.000 1.152 362 T HN -0.064 nan 8.240 nan 0.000 0.510 363 A N 1.325 124.146 122.820 0.002 0.000 1.851 363 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 363 A C 2.473 180.060 177.584 0.005 0.000 1.195 363 A CA 2.572 54.612 52.037 0.006 0.000 0.622 363 A CB -1.611 17.397 19.000 0.012 0.000 0.831 363 A HN 1.605 nan 8.150 nan 0.000 0.444 364 V N -1.586 118.332 119.914 0.007 0.000 2.594 364 V HA -0.040 4.080 4.120 -0.000 0.000 0.253 364 V C 2.218 178.312 176.094 -0.000 0.000 1.069 364 V CA 2.095 64.400 62.300 0.008 0.000 1.082 364 V CB -1.738 30.094 31.823 0.014 0.000 0.680 364 V HN 0.487 nan 8.190 nan 0.000 0.469 365 G N -0.314 108.483 108.800 -0.005 0.000 2.498 365 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.219 365 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.219 365 G C 1.614 176.499 174.900 -0.024 0.000 1.119 365 G CA 0.977 46.069 45.100 -0.014 0.000 0.766 365 G HN 0.899 nan 8.290 nan 0.000 0.552 366 A N 0.170 122.977 122.820 -0.022 0.000 1.898 366 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 366 A C 2.571 180.138 177.584 -0.028 0.000 1.181 366 A CA 1.521 53.539 52.037 -0.031 0.000 0.620 366 A CB -0.555 18.432 19.000 -0.021 0.000 0.819 366 A HN 0.208 nan 8.150 nan 0.000 0.442 367 V N -0.022 119.882 119.914 -0.017 0.000 2.255 367 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 367 V C 2.792 178.877 176.094 -0.014 0.000 1.051 367 V CA 2.656 64.948 62.300 -0.013 0.000 1.018 367 V CB -1.316 30.505 31.823 -0.003 0.000 0.641 367 V HN 0.622 nan 8.190 nan 0.000 0.445 368 T N -0.272 114.275 114.554 -0.012 0.000 2.665 368 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 368 T C 2.032 176.719 174.700 -0.021 0.000 1.035 368 T CA 2.169 64.262 62.100 -0.012 0.000 1.151 368 T CB -0.321 68.541 68.868 -0.011 0.000 0.862 368 T HN 0.406 nan 8.240 nan 0.000 0.438 369 R N 0.820 121.299 120.500 -0.035 0.000 2.092 369 R HA 0.083 4.423 4.340 -0.000 0.000 0.231 369 R C 2.289 178.564 176.300 -0.043 0.000 1.119 369 R CA 1.096 57.166 56.100 -0.049 0.000 0.970 369 R CB -0.714 29.537 30.300 -0.082 0.000 0.864 369 R HN 0.374 nan 8.270 nan 0.000 0.440 370 L N 0.286 121.486 121.223 -0.039 0.000 1.989 370 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 370 L C 2.864 179.721 176.870 -0.021 0.000 1.071 370 L CA 1.608 56.428 54.840 -0.034 0.000 0.749 370 L CB -0.599 41.440 42.059 -0.034 0.000 0.890 370 L HN 0.264 nan 8.230 nan 0.000 0.431 371 R N 0.470 120.962 120.500 -0.013 0.000 2.080 371 R HA -0.127 4.213 4.340 -0.000 0.000 0.236 371 R C 0.496 176.795 176.300 -0.002 0.000 1.137 371 R CA 1.364 57.463 56.100 -0.001 0.000 0.943 371 R CB -0.595 29.709 30.300 0.006 0.000 0.846 371 R HN 0.321 nan 8.270 nan 0.000 0.431 375 I N 1.875 122.445 120.570 -0.001 0.000 2.441 375 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 375 I C 0.607 176.730 176.117 0.010 0.000 1.049 375 I CA -0.349 60.949 61.300 -0.002 0.000 1.381 375 I CB 1.019 39.008 38.000 -0.017 0.000 1.409 375 I HN 0.130 nan 8.210 nan 0.000 0.523 376 E N 7.983 128.194 120.200 0.019 0.000 2.493 376 E HA -0.015 4.335 4.350 -0.000 0.000 0.255 376 E C -1.395 175.233 176.600 0.046 0.000 0.999 376 E CA -1.307 55.121 56.400 0.047 0.000 0.934 376 E CB 0.889 30.629 29.700 0.068 0.000 0.940 376 E HN 0.311 nan 8.360 nan 0.000 0.473 377 P HA -0.219 nan 4.420 nan 0.000 0.218 377 P C 0.889 178.230 177.300 0.068 0.000 1.152 377 P CA 1.150 64.308 63.100 0.096 0.000 0.857 377 P CB 0.032 31.835 31.700 0.171 0.000 0.787 378 F N -0.199 119.681 119.950 -0.118 0.000 2.206 378 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 378 F C 1.919 177.582 175.800 -0.227 0.000 1.090 378 F CA 1.143 58.894 58.000 -0.416 0.000 1.323 378 F CB -0.797 37.818 39.000 -0.642 0.000 1.028 378 F HN -0.255 nan 8.300 nan 0.000 0.492 379 L N -0.190 120.888 121.223 -0.242 0.000 2.201 379 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 379 L C 2.315 179.040 176.870 -0.241 0.000 1.105 379 L CA 0.990 55.666 54.840 -0.273 0.000 0.775 379 L CB -0.656 41.350 42.059 -0.089 0.000 0.913 379 L HN 0.188 nan 8.230 nan 0.000 0.440 380 I N -0.374 120.095 120.570 -0.169 0.000 2.286 380 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 380 I C 2.812 178.829 176.117 -0.166 0.000 1.104 380 I CA 1.489 62.715 61.300 -0.124 0.000 1.397 380 I CB -0.277 37.684 38.000 -0.065 0.000 1.072 380 I HN 0.264 nan 8.210 nan 0.000 0.417 381 S N 0.174 115.740 115.700 -0.224 0.000 2.447 381 S HA -0.105 4.365 4.470 -0.000 0.000 0.233 381 S C 1.847 176.262 174.600 -0.309 0.000 1.006 381 S CA 1.442 59.511 58.200 -0.219 0.000 0.957 381 S CB -0.310 62.797 63.200 -0.155 0.000 0.773 381 S HN 0.454 nan 8.310 nan 0.000 0.507 382 S N 0.927 116.334 115.700 -0.488 0.000 2.517 382 S HA 0.150 4.620 4.470 -0.000 0.000 0.214 382 S C 1.826 176.294 174.600 -0.221 0.000 0.991 382 S CA 0.310 58.262 58.200 -0.414 0.000 0.906 382 S CB 0.211 63.019 63.200 -0.654 0.000 0.789 382 S HN 0.751 nan 8.310 nan 0.000 0.513 383 S N 0.963 116.550 115.700 -0.187 0.000 2.502 383 S HA 0.275 4.745 4.470 -0.000 0.000 0.228 383 S C 0.409 174.970 174.600 -0.065 0.000 1.061 383 S CA -0.380 57.759 58.200 -0.101 0.000 0.935 383 S CB -0.607 62.537 63.200 -0.092 0.000 0.809 383 S HN 0.302 nan 8.310 nan 0.000 0.510 384 L N 2.481 123.659 121.223 -0.074 0.000 2.462 384 L HA 0.384 4.724 4.340 -0.000 0.000 0.272 384 L C 0.614 177.464 176.870 -0.034 0.000 1.166 384 L CA 0.036 54.849 54.840 -0.046 0.000 0.880 384 L CB 0.342 42.375 42.059 -0.043 0.000 1.142 384 L HN 0.277 nan 8.230 nan 0.000 0.473 385 L N 4.188 125.397 121.223 -0.024 0.000 2.200 385 L HA 0.440 4.780 4.340 -0.000 0.000 0.200 385 L C 0.994 177.859 176.870 -0.009 0.000 1.072 385 L CA 0.574 55.399 54.840 -0.024 0.000 0.787 385 L CB -0.226 41.810 42.059 -0.038 0.000 0.957 385 L HN 0.799 nan 8.230 nan 0.000 0.459 386 G N -1.232 107.572 108.800 0.007 0.000 2.601 386 G HA2 0.509 4.469 3.960 -0.000 0.000 0.291 386 G HA3 0.509 4.469 3.960 -0.000 0.000 0.291 386 G C -2.080 172.850 174.900 0.050 0.000 1.456 386 G CA -0.362 44.758 45.100 0.032 0.000 0.804 386 G HN -0.305 nan 8.290 nan 0.000 0.499 387 V N 0.968 120.915 119.914 0.055 0.000 2.482 387 V HA 0.468 4.588 4.120 -0.000 0.000 0.295 387 V C -0.738 175.392 176.094 0.060 0.000 1.026 387 V CA -0.626 61.706 62.300 0.052 0.000 0.856 387 V CB 1.473 33.311 31.823 0.026 0.000 1.001 387 V HN 0.736 nan 8.190 nan 0.000 0.424 388 L N 5.735 127.001 121.223 0.071 0.000 2.288 388 L HA 0.788 5.128 4.340 -0.000 0.000 0.283 388 L C 0.571 177.457 176.870 0.026 0.000 1.072 388 L CA 0.097 54.953 54.840 0.028 0.000 0.862 388 L CB 0.684 42.703 42.059 -0.067 0.000 1.245 388 L HN 0.728 nan 8.230 nan 0.000 0.432 389 A N 5.032 127.871 122.820 0.031 0.000 2.363 389 A HA 0.604 4.924 4.320 -0.000 0.000 0.270 389 A C -0.340 177.260 177.584 0.027 0.000 1.121 389 A CA -0.270 51.780 52.037 0.021 0.000 0.800 389 A CB 0.556 19.562 19.000 0.009 0.000 1.052 389 A HN 0.760 nan 8.150 nan 0.000 0.493 390 Q N 1.233 121.029 119.800 -0.007 0.000 2.379 390 Q HA 0.618 4.958 4.340 -0.000 0.000 0.278 390 Q C -1.252 174.683 176.000 -0.109 0.000 1.068 390 Q CA -0.648 55.112 55.803 -0.071 0.000 0.816 390 Q CB 1.811 30.555 28.738 0.011 0.000 1.387 390 Q HN 0.854 nan 8.270 nan 0.000 0.413 391 R N 1.912 122.301 120.500 -0.185 0.000 2.808 391 R HA 0.590 4.930 4.340 -0.000 0.000 0.272 391 R C -1.137 175.069 176.300 -0.157 0.000 0.995 391 R CA -0.801 55.218 56.100 -0.134 0.000 0.917 391 R CB 1.716 31.950 30.300 -0.110 0.000 1.217 391 R HN 0.503 nan 8.270 nan 0.000 0.471 392 L N 2.384 123.541 121.223 -0.111 0.000 2.295 392 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 392 L C -0.198 176.613 176.870 -0.097 0.000 1.035 392 L CA -1.065 53.713 54.840 -0.104 0.000 0.806 392 L CB 1.633 43.645 42.059 -0.078 0.000 1.214 392 L HN 0.364 nan 8.230 nan 0.000 0.426 393 V N 0.500 120.360 119.914 -0.090 0.000 2.581 393 V HA 0.565 4.685 4.120 -0.000 0.000 0.303 393 V C 0.007 176.060 176.094 -0.069 0.000 1.041 393 V CA -1.059 61.191 62.300 -0.083 0.000 0.907 393 V CB 1.558 33.350 31.823 -0.053 0.000 0.994 393 V HN 0.698 nan 8.190 nan 0.000 0.442 394 R N 2.302 122.726 120.500 -0.126 0.000 2.491 394 R HA 0.419 4.759 4.340 -0.000 0.000 0.283 394 R C 0.329 176.698 176.300 0.116 0.000 1.072 394 R CA 0.255 56.307 56.100 -0.081 0.000 1.048 394 R CB 0.747 30.842 30.300 -0.341 0.000 0.983 394 R HN 0.988 nan 8.270 nan 0.000 0.450 395 T N 1.379 116.019 114.554 0.144 0.000 2.749 395 T HA 0.259 4.609 4.350 -0.000 0.000 0.295 395 T C 0.705 175.541 174.700 0.227 0.000 0.936 395 T CA -0.842 61.349 62.100 0.152 0.000 1.060 395 T CB 0.552 69.459 68.868 0.066 0.000 0.904 395 T HN 0.322 nan 8.240 nan 0.000 0.500 396 L N 2.467 123.804 121.223 0.190 0.000 2.593 396 L HA 0.008 4.348 4.340 -0.000 0.000 0.287 396 L C 1.398 178.236 176.870 -0.053 0.000 1.243 396 L CA -0.472 54.351 54.840 -0.029 0.000 0.890 396 L CB 0.105 42.121 42.059 -0.072 0.000 1.134 396 L HN 0.912 nan 8.230 nan 0.000 0.502 397 C N 7.098 126.335 119.300 -0.106 0.000 2.651 397 C HA 0.119 4.579 4.460 -0.000 0.000 0.410 397 C C -0.334 174.610 174.990 -0.077 0.000 1.372 397 C CA -1.392 57.587 59.018 -0.065 0.000 1.707 397 C CB -0.037 27.665 27.740 -0.063 0.000 2.501 397 C HN 0.648 nan 8.230 nan 0.000 0.598 398 P HA -0.102 nan 4.420 nan 0.000 0.218 398 P C 0.966 178.232 177.300 -0.056 0.000 1.149 398 P CA 1.588 64.640 63.100 -0.081 0.000 0.817 398 P CB 0.126 31.788 31.700 -0.064 0.000 0.785 399 D N 0.140 120.519 120.400 -0.037 0.000 2.091 399 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 399 D C 1.713 178.006 176.300 -0.012 0.000 0.980 399 D CA 1.552 55.540 54.000 -0.020 0.000 0.831 399 D CB -0.587 40.204 40.800 -0.015 0.000 0.987 399 D HN 0.327 nan 8.370 nan 0.000 0.460 400 C N 0.877 120.165 119.300 -0.019 0.000 2.884 400 C HA 0.370 4.830 4.460 -0.000 0.000 0.287 400 C C 0.744 175.732 174.990 -0.003 0.000 1.310 400 C CA -0.980 58.032 59.018 -0.010 0.000 1.725 400 C CB -1.304 26.424 27.740 -0.019 0.000 2.060 400 C HN 0.034 nan 8.230 nan 0.000 0.618 401 K N 1.285 121.685 120.400 -0.000 0.000 2.339 401 K HA 0.470 4.790 4.320 -0.000 0.000 0.286 401 K C -0.744 175.969 176.600 0.189 0.000 1.050 401 K CA 0.373 56.690 56.287 0.050 0.000 0.956 401 K CB 0.691 33.180 32.500 -0.018 0.000 0.990 401 K HN 0.283 nan 8.250 nan 0.000 0.475 402 E N 4.738 125.062 120.200 0.206 0.000 2.134 402 E HA 0.286 4.636 4.350 -0.000 0.000 0.278 402 E C -2.370 174.328 176.600 0.163 0.000 0.959 402 E CA -2.603 53.902 56.400 0.174 0.000 0.783 402 E CB 1.273 31.022 29.700 0.082 0.000 1.095 402 E HN 0.500 nan 8.360 nan 0.000 0.399 403 P HA 0.082 nan 4.420 nan 0.000 0.272 403 P C -1.179 176.054 177.300 -0.110 0.000 1.223 403 P CA 0.048 62.841 63.100 -0.511 0.000 0.784 403 P CB 0.303 31.733 31.700 -0.449 0.000 0.923 404 Y N -2.793 117.310 120.300 -0.328 0.000 2.689 404 Y HA 0.534 5.084 4.550 0.000 0.000 0.333 404 Y C -1.211 174.583 175.900 -0.177 0.000 1.208 404 Y CA -1.357 56.633 58.100 -0.184 0.000 1.055 404 Y CB 0.852 39.242 38.460 -0.117 0.000 1.304 404 Y HN 0.258 nan 8.280 nan 0.000 0.455 405 E N 1.706 121.871 120.200 -0.059 0.000 2.113 405 E HA 0.616 4.966 4.350 -0.000 0.000 0.273 405 E C -0.721 175.857 176.600 -0.035 0.000 0.924 405 E CA -0.998 55.318 56.400 -0.139 0.000 0.764 405 E CB 1.360 31.021 29.700 -0.064 0.000 1.104 405 E HN 0.880 nan 8.360 nan 0.000 0.406 406 A N 4.598 127.319 122.820 -0.164 0.000 2.540 406 A HA -0.046 4.274 4.320 -0.000 0.000 0.264 406 A C 0.028 177.643 177.584 0.051 0.000 1.080 406 A CA -0.069 51.961 52.037 -0.013 0.000 0.776 406 A CB -0.403 18.532 19.000 -0.108 0.000 1.011 406 A HN 0.706 nan 8.150 nan 0.000 0.514 407 D N 2.348 122.815 120.400 0.112 0.000 2.378 407 D HA 0.056 4.696 4.640 -0.000 0.000 0.238 407 D C 0.811 177.152 176.300 0.068 0.000 1.180 407 D CA -0.090 53.955 54.000 0.076 0.000 0.895 407 D CB 0.562 41.407 40.800 0.074 0.000 1.192 407 D HN 0.381 nan 8.370 nan 0.000 0.438 408 K N -0.130 120.300 120.400 0.050 0.000 2.173 408 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 408 K C 1.746 178.382 176.600 0.060 0.000 1.046 408 K CA 1.497 57.813 56.287 0.047 0.000 0.929 408 K CB 0.003 32.524 32.500 0.034 0.000 0.720 408 K HN 0.400 nan 8.250 nan 0.000 0.453 409 E N 0.328 120.566 120.200 0.063 0.000 2.152 409 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 409 E C 1.850 178.507 176.600 0.095 0.000 0.983 409 E CA 1.043 57.482 56.400 0.065 0.000 0.818 409 E CB 0.018 29.750 29.700 0.053 0.000 0.758 409 E HN 0.470 nan 8.360 nan 0.000 0.467 410 Q N -0.028 119.848 119.800 0.128 0.000 2.311 410 Q HA 0.045 4.385 4.340 -0.000 0.000 0.203 410 Q C 2.069 178.237 176.000 0.280 0.000 0.954 410 Q CA 0.428 56.352 55.803 0.202 0.000 0.885 410 Q CB 0.084 28.962 28.738 0.234 0.000 0.963 410 Q HN 0.139 nan 8.270 nan 0.000 0.471 411 R N 0.718 121.330 120.500 0.186 0.000 2.115 411 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 411 R C 1.987 178.406 176.300 0.199 0.000 1.100 411 R CA 0.720 56.938 56.100 0.196 0.000 0.980 411 R CB 0.016 30.368 30.300 0.087 0.000 0.875 411 R HN 0.086 nan 8.270 nan 0.000 0.445 412 K N 0.715 121.190 120.400 0.125 0.000 2.173 412 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 412 K C 1.679 178.314 176.600 0.058 0.000 1.046 412 K CA 1.138 57.472 56.287 0.078 0.000 0.929 412 K CB -0.146 32.384 32.500 0.051 0.000 0.720 412 K HN 0.218 nan 8.250 nan 0.000 0.453 413 L N -0.022 121.239 121.223 0.064 0.000 2.599 413 L HA 0.041 4.381 4.340 -0.000 0.000 0.230 413 L C 0.275 176.939 176.870 -0.342 0.000 1.141 413 L CA 0.149 54.906 54.840 -0.139 0.000 0.877 413 L CB 0.077 42.002 42.059 -0.225 0.000 1.009 413 L HN -0.009 nan 8.230 nan 0.000 0.447 421 P HA 0.306 nan 4.420 nan 0.000 0.282 421 P C -0.526 176.701 177.300 -0.121 0.000 1.274 421 P CA -0.639 62.411 63.100 -0.082 0.000 0.770 421 P CB 0.401 32.055 31.700 -0.077 0.000 0.867 422 L N 4.863 125.991 121.223 -0.159 0.000 2.295 422 L HA 0.303 4.643 4.340 -0.000 0.000 0.288 422 L C -0.224 176.455 176.870 -0.318 0.000 1.079 422 L CA -0.226 54.468 54.840 -0.242 0.000 0.830 422 L CB -0.264 41.611 42.059 -0.306 0.000 1.200 422 L HN 0.296 nan 8.230 nan 0.000 0.438 423 I N 6.664 127.052 120.570 -0.304 0.000 2.312 423 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 423 I C 0.007 175.843 176.117 -0.468 0.000 1.031 423 I CA -0.130 60.932 61.300 -0.395 0.000 1.293 423 I CB 0.469 38.292 38.000 -0.295 0.000 1.403 423 I HN 0.589 nan 8.210 nan 0.000 0.484 424 L N 6.255 127.044 121.223 -0.722 0.000 2.391 424 L HA 0.584 4.924 4.340 -0.000 0.000 0.266 424 L C -1.110 175.356 176.870 -0.672 0.000 1.035 424 L CA -1.002 53.494 54.840 -0.573 0.000 0.877 424 L CB 1.102 42.820 42.059 -0.568 0.000 1.504 424 L HN 0.320 nan 8.230 nan 0.000 0.503 425 Y N -0.772 119.499 120.300 -0.049 0.000 2.545 425 Y HA 0.570 5.120 4.550 0.000 0.000 0.348 425 Y C -0.371 175.730 175.900 0.334 0.000 1.002 425 Y CA -0.758 57.435 58.100 0.155 0.000 1.039 425 Y CB 2.130 40.622 38.460 0.053 0.000 1.271 425 Y HN 0.282 nan 8.280 nan 0.000 0.467 426 R N 0.168 120.896 120.500 0.381 0.000 2.807 426 R HA 0.712 5.052 4.340 -0.000 0.000 0.276 426 R C 0.217 176.544 176.300 0.045 0.000 0.979 426 R CA -0.224 55.974 56.100 0.163 0.000 0.928 426 R CB 2.104 32.407 30.300 0.004 0.000 1.191 426 R HN 0.907 nan 8.270 nan 0.000 0.471 427 A N 0.952 123.740 122.820 -0.054 0.000 1.832 427 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 427 A C 1.268 178.763 177.584 -0.148 0.000 1.200 427 A CA 2.442 54.341 52.037 -0.231 0.000 0.610 427 A CB -0.769 18.061 19.000 -0.283 0.000 0.842 427 A HN 1.082 nan 8.150 nan 0.000 0.444 428 T N -3.721 110.792 114.554 -0.068 0.000 13.809 428 T HA 0.076 4.426 4.350 -0.000 0.000 0.419 428 T C 1.389 176.072 174.700 -0.028 0.000 1.441 428 T CA 2.440 64.519 62.100 -0.036 0.000 2.343 428 T CB -1.863 66.993 68.868 -0.020 0.000 2.778 428 T HN 2.689 nan 8.240 nan 0.000 0.436 429 G N 0.438 109.219 108.800 -0.032 0.000 2.462 429 G HA2 0.513 4.473 3.960 -0.000 0.000 0.424 429 G HA3 0.513 4.473 3.960 -0.000 0.000 0.424 429 G C 0.120 175.017 174.900 -0.005 0.000 1.573 429 G CA 0.210 45.303 45.100 -0.011 0.000 0.913 429 G HN 2.516 nan 8.290 nan 0.000 0.672 430 C N 1.628 120.926 119.300 -0.005 0.000 3.321 430 C HA 0.959 5.419 4.460 -0.000 0.000 0.363 430 C C -1.368 173.621 174.990 -0.001 0.000 1.705 430 C CA -0.695 58.321 59.018 -0.003 0.000 1.298 430 C CB 1.500 29.236 27.740 -0.006 0.000 2.086 430 C HN 0.608 nan 8.230 nan 0.000 0.438 431 P HA -0.077 nan 4.420 nan 0.000 0.218 431 P C 1.179 178.479 177.300 -0.000 0.000 1.149 431 P CA 1.811 64.909 63.100 -0.003 0.000 0.817 431 P CB -0.064 31.634 31.700 -0.002 0.000 0.785 432 K N -0.227 120.173 120.400 0.000 0.000 2.097 432 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 432 K C 1.677 178.283 176.600 0.010 0.000 1.050 432 K CA 1.083 57.372 56.287 0.003 0.000 0.938 432 K CB -0.752 31.747 32.500 -0.001 0.000 0.718 432 K HN 0.370 nan 8.250 nan 0.000 0.442 433 C N 0.108 119.416 119.300 0.012 0.000 2.644 433 C HA 0.322 4.782 4.460 -0.000 0.000 0.330 433 C C 1.064 176.071 174.990 0.028 0.000 1.606 433 C CA -0.881 58.156 59.018 0.032 0.000 2.115 433 C CB -0.190 27.570 27.740 0.034 0.000 1.990 433 C HN 0.388 nan 8.230 nan 0.000 0.581 434 N N -2.254 116.474 118.700 0.046 0.000 2.711 434 N HA 0.178 4.918 4.740 -0.000 0.000 0.140 434 N C -0.904 174.627 175.510 0.034 0.000 1.711 434 N CA -0.652 52.400 53.050 0.003 0.000 1.234 434 N CB -0.290 38.171 38.487 -0.044 0.000 0.931 434 N HN 0.737 nan 8.380 nan 0.000 0.489 435 H N 2.212 121.314 119.070 0.054 0.000 3.286 435 H HA 0.057 4.613 4.556 -0.000 0.000 0.245 435 H C -0.573 174.815 175.328 0.100 0.000 0.932 435 H CA 0.629 56.716 56.048 0.065 0.000 1.407 435 H CB -0.227 29.571 29.762 0.060 0.000 1.540 435 H HN 0.173 nan 8.280 nan 0.000 0.516 436 K N 1.123 121.656 120.400 0.223 0.000 2.778 436 K HA -0.139 4.181 4.320 -0.000 0.000 0.687 436 K C 0.330 177.002 176.600 0.120 0.000 2.569 436 K CA 0.466 56.880 56.287 0.212 0.000 1.843 436 K CB -0.504 32.230 32.500 0.389 0.000 2.761 436 K HN 0.818 nan 8.250 nan 0.000 0.161 437 G N 2.083 110.842 108.800 -0.070 0.000 3.636 437 G HA2 0.438 4.398 3.960 -0.000 0.000 0.260 437 G HA3 0.438 4.398 3.960 -0.000 0.000 0.260 437 G C -1.105 173.474 174.900 -0.535 0.000 1.014 437 G CA 0.127 45.077 45.100 -0.250 0.000 1.797 437 G HN 0.303 nan 8.290 nan 0.000 0.637 438 Y N -0.651 119.668 120.300 0.032 0.000 2.421 438 Y HA 0.541 5.091 4.550 -0.000 0.000 0.339 438 Y C 0.139 176.050 175.900 0.018 0.000 0.996 438 Y CA -1.251 56.863 58.100 0.023 0.000 1.046 438 Y CB 2.336 40.811 38.460 0.024 0.000 1.226 438 Y HN 0.246 nan 8.280 nan 0.000 0.445 439 R N 2.212 122.797 120.500 0.141 0.000 2.476 439 R HA 0.694 5.034 4.340 -0.000 0.000 0.305 439 R C 0.040 176.384 176.300 0.072 0.000 0.965 439 R CA 0.043 56.195 56.100 0.087 0.000 0.867 439 R CB 1.285 31.610 30.300 0.042 0.000 1.176 439 R HN 1.003 nan 8.270 nan 0.000 0.447 440 G N 3.118 111.952 108.800 0.056 0.000 2.782 440 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.228 440 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.228 440 G C -1.218 173.703 174.900 0.035 0.000 1.372 440 G CA -0.116 45.004 45.100 0.033 0.000 0.862 440 G HN 0.888 nan 8.290 nan 0.000 0.547 441 R N -2.009 118.498 120.500 0.011 0.000 2.752 441 R HA 0.864 5.204 4.340 -0.000 0.000 0.271 441 R C -1.040 175.253 176.300 -0.011 0.000 1.026 441 R CA -0.326 55.772 56.100 -0.003 0.000 0.901 441 R CB 1.627 31.911 30.300 -0.026 0.000 1.243 441 R HN 1.258 nan 8.270 nan 0.000 0.463 442 T N -0.710 113.830 114.554 -0.023 0.000 2.853 442 T HA 0.546 4.896 4.350 -0.000 0.000 0.311 442 T C -0.716 173.946 174.700 -0.063 0.000 1.307 442 T CA -0.190 61.893 62.100 -0.027 0.000 1.019 442 T CB 1.674 70.536 68.868 -0.010 0.000 1.264 442 T HN 0.829 nan 8.240 nan 0.000 0.497 443 G N 1.693 110.449 108.800 -0.073 0.000 2.507 443 G HA2 0.652 4.612 3.960 -0.000 0.000 0.271 443 G HA3 0.652 4.612 3.960 -0.000 0.000 0.271 443 G C -0.402 174.298 174.900 -0.334 0.000 1.189 443 G CA -0.622 44.337 45.100 -0.235 0.000 0.859 443 G HN 0.965 nan 8.290 nan 0.000 0.542 444 I N -1.653 118.582 120.570 -0.559 0.000 2.730 444 I HA 0.739 4.909 4.170 -0.000 0.000 0.298 444 I C -1.144 174.586 176.117 -0.644 0.000 1.089 444 I CA -1.271 59.775 61.300 -0.425 0.000 1.041 444 I CB 2.559 40.459 38.000 -0.168 0.000 1.235 444 I HN 0.517 nan 8.210 nan 0.000 0.423 445 H N 1.427 120.472 119.070 -0.042 0.000 2.985 445 H HA 0.601 5.157 4.556 0.000 0.000 0.360 445 H C -1.494 173.811 175.328 -0.040 0.000 1.221 445 H CA -0.843 55.172 56.048 -0.055 0.000 1.121 445 H CB 2.074 31.785 29.762 -0.086 0.000 1.854 445 H HN 0.727 nan 8.280 nan 0.000 0.551 446 E N 1.904 122.162 120.200 0.097 0.000 2.255 446 E HA 0.278 4.628 4.350 -0.000 0.000 0.256 446 E C -1.483 175.139 176.600 0.035 0.000 0.887 446 E CA -0.966 55.461 56.400 0.045 0.000 0.782 446 E CB 1.294 31.005 29.700 0.018 0.000 1.214 446 E HN 0.373 nan 8.360 nan 0.000 0.417 447 L N 6.630 127.864 121.223 0.018 0.000 2.270 447 L HA 0.348 4.688 4.340 -0.000 0.000 0.286 447 L C -1.084 175.792 176.870 0.010 0.000 1.059 447 L CA -0.328 54.522 54.840 0.017 0.000 0.839 447 L CB 0.846 42.914 42.059 0.015 0.000 1.221 447 L HN 0.648 nan 8.230 nan 0.000 0.431 448 L N 6.001 127.238 121.223 0.023 0.000 2.313 448 L HA 0.424 4.764 4.340 -0.000 0.000 0.282 448 L C -1.188 175.698 176.870 0.026 0.000 1.092 448 L CA -0.081 54.772 54.840 0.021 0.000 0.831 448 L CB 0.366 42.441 42.059 0.026 0.000 1.159 448 L HN 0.589 nan 8.230 nan 0.000 0.442 449 L N 6.272 127.506 121.223 0.019 0.000 2.325 449 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 449 L C -0.426 176.463 176.870 0.032 0.000 1.004 449 L CA -0.940 53.911 54.840 0.018 0.000 0.823 449 L CB 1.872 43.931 42.059 0.001 0.000 1.236 449 L HN 0.351 nan 8.230 nan 0.000 0.415 450 V N 2.957 122.885 119.914 0.023 0.000 2.521 450 V HA 0.077 4.197 4.120 -0.000 0.000 0.286 450 V C -0.017 176.096 176.094 0.031 0.000 1.034 450 V CA -0.101 62.215 62.300 0.026 0.000 1.045 450 V CB 0.809 32.633 31.823 0.001 0.000 0.974 450 V HN 0.811 nan 8.190 nan 0.000 0.480 451 D N 2.572 123.007 120.400 0.057 0.000 2.654 451 D HA 0.289 4.929 4.640 -0.000 0.000 0.255 451 D C 0.506 176.824 176.300 0.030 0.000 1.101 451 D CA -0.816 53.218 54.000 0.057 0.000 1.116 451 D CB 0.684 41.546 40.800 0.104 0.000 1.348 451 D HN 0.198 nan 8.370 nan 0.000 0.609 452 D N -0.301 120.116 120.400 0.028 0.000 2.104 452 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 452 D C 1.916 178.202 176.300 -0.024 0.000 0.994 452 D CA 2.438 56.446 54.000 0.013 0.000 0.830 452 D CB -0.537 40.276 40.800 0.022 0.000 0.959 452 D HN 0.525 nan 8.370 nan 0.000 0.452 453 A N 0.309 123.090 122.820 -0.065 0.000 1.930 453 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 453 A C 2.124 179.515 177.584 -0.321 0.000 1.175 453 A CA 0.855 52.770 52.037 -0.204 0.000 0.627 453 A CB -0.597 18.237 19.000 -0.277 0.000 0.815 453 A HN 0.254 nan 8.150 nan 0.000 0.443 454 L N -0.104 120.946 121.223 -0.288 0.000 2.141 454 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 454 L C 2.396 179.229 176.870 -0.061 0.000 1.094 454 L CA 1.983 56.724 54.840 -0.164 0.000 0.763 454 L CB -0.649 41.411 42.059 0.001 0.000 0.908 454 L HN 0.483 nan 8.230 nan 0.000 0.437 455 Q N -0.666 119.115 119.800 -0.032 0.000 2.061 455 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 455 Q C 2.153 178.190 176.000 0.063 0.000 0.984 455 Q CA 1.782 57.589 55.803 0.006 0.000 0.846 455 Q CB -0.257 28.488 28.738 0.012 0.000 0.902 455 Q HN 0.580 nan 8.270 nan 0.000 0.421 456 E N 0.691 120.916 120.200 0.042 0.000 2.058 456 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 456 E C 2.101 178.721 176.600 0.033 0.000 0.997 456 E CA 0.981 57.413 56.400 0.054 0.000 0.801 456 E CB -0.105 29.594 29.700 -0.002 0.000 0.746 456 E HN 0.346 nan 8.360 nan 0.000 0.450 457 L N 0.330 121.542 121.223 -0.018 0.000 2.083 457 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 457 L C 2.506 179.389 176.870 0.023 0.000 1.083 457 L CA 0.807 55.638 54.840 -0.016 0.000 0.752 457 L CB -0.297 41.730 42.059 -0.053 0.000 0.899 457 L HN 0.144 nan 8.230 nan 0.000 0.433 458 I N -1.273 119.319 120.570 0.038 0.000 2.233 458 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 458 I C 2.564 178.756 176.117 0.125 0.000 1.093 458 I CA 1.282 62.614 61.300 0.053 0.000 1.380 458 I CB -0.476 37.536 38.000 0.021 0.000 1.067 458 I HN 0.282 nan 8.210 nan 0.000 0.413 459 H N 0.447 119.542 119.070 0.042 0.000 2.352 459 H HA -0.189 4.367 4.556 -0.000 0.000 0.299 459 H C 2.328 177.695 175.328 0.065 0.000 1.097 459 H CA 1.518 57.626 56.048 0.100 0.000 1.311 459 H CB 0.281 30.152 29.762 0.183 0.000 1.377 459 H HN 0.356 nan 8.280 nan 0.000 0.504 460 S N -0.234 115.506 115.700 0.066 0.000 2.593 460 S HA -0.003 4.467 4.470 -0.000 0.000 0.217 460 S C 0.439 175.042 174.600 0.005 0.000 0.966 460 S CA 0.493 58.673 58.200 -0.033 0.000 0.914 460 S CB 0.099 63.264 63.200 -0.058 0.000 0.776 460 S HN 0.604 nan 8.310 nan 0.000 0.523 461 E N -0.383 119.839 120.200 0.038 0.000 2.694 461 E HA -0.231 4.119 4.350 -0.000 0.000 0.272 461 E C 0.934 177.542 176.600 0.014 0.000 1.040 461 E CA 0.384 56.803 56.400 0.030 0.000 0.809 461 E CB -1.970 27.748 29.700 0.030 0.000 1.389 461 E HN 0.725 nan 8.360 nan 0.000 0.413 462 A N 0.624 123.450 122.820 0.010 0.000 2.076 462 A HA 0.205 4.525 4.320 -0.000 0.000 0.220 462 A C 1.331 178.920 177.584 0.007 0.000 1.160 462 A CA 1.862 53.902 52.037 0.004 0.000 0.653 462 A CB -0.210 18.790 19.000 -0.000 0.000 0.801 462 A HN 1.179 nan 8.150 nan 0.000 0.455 463 G N -1.883 106.924 108.800 0.010 0.000 2.663 463 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 463 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 463 G C 0.112 175.020 174.900 0.013 0.000 1.288 463 G CA 0.057 45.163 45.100 0.010 0.000 0.836 463 G HN 0.211 nan 8.290 nan 0.000 0.584 464 E N -0.471 119.736 120.200 0.011 0.000 2.106 464 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 464 E C 2.414 179.024 176.600 0.016 0.000 0.984 464 E CA 1.391 57.798 56.400 0.012 0.000 0.806 464 E CB 0.058 29.762 29.700 0.007 0.000 0.750 464 E HN 0.566 nan 8.360 nan 0.000 0.458 465 Q N 0.733 120.541 119.800 0.014 0.000 2.083 465 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 465 Q C 0.865 176.879 176.000 0.024 0.000 0.969 465 Q CA 0.741 56.553 55.803 0.016 0.000 0.838 465 Q CB 0.046 28.791 28.738 0.012 0.000 0.900 465 Q HN 0.126 nan 8.270 nan 0.000 0.436 469 K N 0.794 121.222 120.400 0.048 0.000 2.103 469 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 469 K C 1.942 178.578 176.600 0.059 0.000 1.048 469 K CA 2.271 58.584 56.287 0.043 0.000 0.930 469 K CB -0.275 32.252 32.500 0.045 0.000 0.716 469 K HN 0.170 nan 8.250 nan 0.000 0.444 470 H N -0.250 118.823 119.070 0.005 0.000 2.357 470 H HA 0.009 4.565 4.556 -0.000 0.000 0.301 470 H C 1.660 176.991 175.328 0.005 0.000 1.082 470 H CA 2.103 58.154 56.048 0.006 0.000 1.342 470 H CB -0.064 29.702 29.762 0.008 0.000 1.389 470 H HN 0.237 nan 8.280 nan 0.000 0.511 471 I N 0.115 120.648 120.570 -0.062 0.000 2.614 471 I HA -0.157 4.013 4.170 -0.000 0.000 0.258 471 I C 2.058 178.112 176.117 -0.105 0.000 1.189 471 I CA 0.603 61.844 61.300 -0.100 0.000 1.462 471 I CB -0.089 37.918 38.000 0.012 0.000 1.092 471 I HN 0.188 nan 8.210 nan 0.000 0.442 472 R N 0.352 120.807 120.500 -0.074 0.000 2.189 472 R HA 0.053 4.393 4.340 -0.000 0.000 0.218 472 R C 2.260 178.523 176.300 -0.061 0.000 1.074 472 R CA 1.087 57.157 56.100 -0.050 0.000 0.991 472 R CB -0.746 29.538 30.300 -0.026 0.000 0.883 472 R HN 0.347 nan 8.270 nan 0.000 0.457 473 A N 0.653 123.414 122.820 -0.098 0.000 1.940 473 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 473 A C 2.066 179.610 177.584 -0.067 0.000 1.176 473 A CA 2.352 54.338 52.037 -0.085 0.000 0.631 473 A CB -0.436 18.491 19.000 -0.123 0.000 0.814 473 A HN 0.470 nan 8.150 nan 0.000 0.446 474 T N -4.414 110.085 114.554 -0.090 0.000 3.018 474 T HA 0.223 4.573 4.350 -0.000 0.000 0.246 474 T C 0.796 175.466 174.700 -0.050 0.000 1.026 474 T CA 0.906 62.971 62.100 -0.059 0.000 1.081 474 T CB -0.295 68.524 68.868 -0.082 0.000 0.970 474 T HN 0.663 nan 8.240 nan 0.000 0.475 475 T N 1.509 116.028 114.554 -0.059 0.000 2.840 475 T HA 0.646 4.996 4.350 -0.000 0.000 0.287 475 T C -3.364 171.321 174.700 -0.025 0.000 0.991 475 T CA -2.087 59.982 62.100 -0.051 0.000 0.964 475 T CB 1.911 70.743 68.868 -0.060 0.000 0.954 475 T HN -0.119 nan 8.240 nan 0.000 0.438 476 P HA 0.247 nan 4.420 nan 0.000 0.272 476 P C 0.241 177.540 177.300 -0.003 0.000 1.223 476 P CA -0.364 62.737 63.100 0.001 0.000 0.784 476 P CB 0.533 32.244 31.700 0.018 0.000 0.923 477 S N 1.470 117.166 115.700 -0.008 0.000 2.608 477 S HA 0.132 4.602 4.470 -0.000 0.000 0.261 477 S C 1.626 176.221 174.600 -0.009 0.000 1.314 477 S CA -0.515 57.679 58.200 -0.010 0.000 0.992 477 S CB -0.209 62.981 63.200 -0.017 0.000 0.935 477 S HN 0.418 nan 8.310 nan 0.000 0.564 478 I N -1.219 119.343 120.570 -0.013 0.000 2.286 478 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 478 I C 2.791 178.890 176.117 -0.030 0.000 1.115 478 I CA 1.357 62.644 61.300 -0.022 0.000 1.392 478 I CB -0.774 37.205 38.000 -0.036 0.000 1.065 478 I HN 0.677 nan 8.210 nan 0.000 0.418 479 R N 1.471 121.950 120.500 -0.035 0.000 2.096 479 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 479 R C 2.023 178.292 176.300 -0.052 0.000 1.139 479 R CA 2.351 58.422 56.100 -0.047 0.000 0.952 479 R CB -0.203 30.065 30.300 -0.054 0.000 0.854 479 R HN 0.445 nan 8.270 nan 0.000 0.436 480 D N -0.092 120.283 120.400 -0.042 0.000 2.144 480 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 480 D C 1.445 177.742 176.300 -0.006 0.000 0.984 480 D CA 1.284 55.261 54.000 -0.038 0.000 0.834 480 D CB -0.355 40.432 40.800 -0.021 0.000 0.955 480 D HN 0.307 nan 8.370 nan 0.000 0.465 481 D N 0.284 120.688 120.400 0.006 0.000 2.097 481 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 481 D C 2.203 178.517 176.300 0.023 0.000 0.989 481 D CA 1.687 55.704 54.000 0.028 0.000 0.827 481 D CB -0.363 40.456 40.800 0.032 0.000 0.966 481 D HN 0.171 nan 8.370 nan 0.000 0.456 482 G N 0.423 109.222 108.800 -0.001 0.000 2.433 482 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 482 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 482 G C 1.763 176.684 174.900 0.034 0.000 1.186 482 G CA 0.618 45.721 45.100 0.004 0.000 0.779 482 G HN 0.336 nan 8.290 nan 0.000 0.543 483 L N 0.458 121.679 121.223 -0.004 0.000 2.081 483 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 483 L C 2.551 179.506 176.870 0.141 0.000 1.080 483 L CA 1.306 56.135 54.840 -0.019 0.000 0.754 483 L CB -0.389 41.526 42.059 -0.239 0.000 0.893 483 L HN 0.144 nan 8.230 nan 0.000 0.433 484 D N 0.031 120.493 120.400 0.105 0.000 2.117 484 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 484 D C 2.211 178.595 176.300 0.139 0.000 0.987 484 D CA 1.166 55.249 54.000 0.139 0.000 0.829 484 D CB -0.012 40.846 40.800 0.095 0.000 0.961 484 D HN 0.290 nan 8.370 nan 0.000 0.460 485 K N 0.335 120.801 120.400 0.110 0.000 2.097 485 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 485 K C 2.207 178.880 176.600 0.123 0.000 1.050 485 K CA 0.392 56.736 56.287 0.095 0.000 0.938 485 K CB -0.034 32.506 32.500 0.067 0.000 0.718 485 K HN 0.019 nan 8.250 nan 0.000 0.442 486 V N 1.519 121.536 119.914 0.171 0.000 2.252 486 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 486 V C 2.420 178.632 176.094 0.197 0.000 1.056 486 V CA 1.853 64.289 62.300 0.226 0.000 1.022 486 V CB -0.548 31.470 31.823 0.325 0.000 0.641 486 V HN 0.331 nan 8.190 nan 0.000 0.445 487 R N -0.355 120.284 120.500 0.230 0.000 2.103 487 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 487 R C 2.330 178.661 176.300 0.052 0.000 1.142 487 R CA 2.005 58.143 56.100 0.064 0.000 0.960 487 R CB -0.199 30.180 30.300 0.132 0.000 0.858 487 R HN 0.605 nan 8.270 nan 0.000 0.439 488 Q N -1.458 118.391 119.800 0.080 0.000 2.472 488 Q HA 0.061 4.401 4.340 -0.000 0.000 0.208 488 Q C 0.832 176.858 176.000 0.043 0.000 0.958 488 Q CA 0.637 56.472 55.803 0.053 0.000 0.932 488 Q CB 0.630 29.396 28.738 0.047 0.000 1.007 488 Q HN 0.644 nan 8.270 nan 0.000 0.508 489 G N 0.546 109.397 108.800 0.085 0.000 2.143 489 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 489 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 489 G C 0.587 175.455 174.900 -0.053 0.000 0.991 489 G CA 0.454 45.593 45.100 0.066 0.000 0.689 489 G HN 0.398 nan 8.290 nan 0.000 0.522 490 I N -0.553 120.024 120.570 0.011 0.000 2.406 490 I HA 0.153 4.323 4.170 -0.000 0.000 0.249 490 I C 1.606 177.759 176.117 0.059 0.000 1.122 490 I CA 1.763 63.068 61.300 0.008 0.000 1.431 490 I CB 0.200 38.214 38.000 0.023 0.000 1.087 490 I HN 0.339 nan 8.210 nan 0.000 0.424 491 T N -1.127 113.493 114.554 0.110 0.000 2.838 491 T HA 0.427 4.777 4.350 -0.000 0.000 0.292 491 T C -0.417 174.412 174.700 0.215 0.000 1.113 491 T CA -0.586 61.621 62.100 0.178 0.000 1.008 491 T CB 1.429 70.387 68.868 0.149 0.000 1.259 491 T HN 0.165 nan 8.240 nan 0.000 0.520 492 S N 1.436 117.303 115.700 0.278 0.000 2.652 492 S HA 0.367 4.837 4.470 -0.000 0.000 0.270 492 S C 1.256 175.996 174.600 0.233 0.000 1.243 492 S CA -0.661 57.704 58.200 0.275 0.000 0.999 492 S CB 0.911 64.297 63.200 0.308 0.000 0.973 492 S HN 0.635 nan 8.310 nan 0.000 0.544 493 L N 1.259 122.633 121.223 0.252 0.000 2.131 493 L HA 0.038 4.378 4.340 -0.000 0.000 0.210 493 L C 2.115 179.070 176.870 0.140 0.000 1.092 493 L CA 1.933 56.902 54.840 0.215 0.000 0.759 493 L CB -1.370 40.854 42.059 0.275 0.000 0.903 493 L HN 0.856 nan 8.230 nan 0.000 0.435 494 E N -0.249 120.035 120.200 0.141 0.000 2.031 494 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 494 E C 2.108 178.745 176.600 0.062 0.000 0.994 494 E CA 1.458 57.914 56.400 0.093 0.000 0.800 494 E CB -0.388 29.373 29.700 0.102 0.000 0.752 494 E HN 0.517 nan 8.360 nan 0.000 0.447 495 E N 0.795 121.041 120.200 0.077 0.000 2.118 495 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 495 E C 0.441 177.037 176.600 -0.006 0.000 0.992 495 E CA 0.477 56.876 56.400 -0.002 0.000 0.804 495 E CB 0.055 29.737 29.700 -0.029 0.000 0.741 495 E HN 0.013 nan 8.360 nan 0.000 0.458 499 G N 1.318 110.098 108.800 -0.033 0.000 2.464 499 G HA2 0.078 4.038 3.960 -0.000 0.000 0.217 499 G HA3 0.078 4.038 3.960 -0.000 0.000 0.217 499 G C 0.406 175.288 174.900 -0.030 0.000 1.138 499 G CA 0.723 45.800 45.100 -0.037 0.000 0.793 499 G HN 0.321 nan 8.290 nan 0.000 0.539 500 S N 0.000 115.683 115.700 -0.028 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 500 S CB 0.000 63.183 63.200 -0.029 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517