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 2hod_1_F DATA FIRST_RESID 92 DATA SEQUENCE EIMKYEASIL THDSSIRYLQ EIYNSNNQKI VNLKEKVAQL EAQCQEPCKD DATA SEQUENCE TVQIHDITGK DcQDIANKGA KQSGLYFIKP LKANQQFLVY cEIDGSGNGW DATA SEQUENCE TVFQKRLDGS VDFKKNWIQY KEGFGHLSPT GTTEFWLGNE KIHLISTQSA DATA SEQUENCE IPYALRVELE DWNGRTSTAD YAMFKVGPEA DKYRLTYAYF AGGDAGDAFD DATA SEQUENCE GFDFGDDPSD KFFTSHNGMQ FSTWDNDNDK FEGNcAEQDG SGWWMNKcHA DATA SEQUENCE GHLNGVYYQG GTYSKASTPN GYDNGIIWAT WKTRWYSMKK TTMKIIPFNR 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 92 E HA 0.000 nan 4.350 nan 0.000 0.291 92 E C 0.000 176.536 176.600 -0.107 0.000 1.382 92 E CA 0.000 56.358 56.400 -0.070 0.000 0.976 92 E CB 0.000 29.668 29.700 -0.053 0.000 0.812 93 I N 1.970 122.475 120.570 -0.107 0.000 2.145 93 I HA -0.226 3.944 4.170 -0.000 0.000 0.244 93 I C 1.509 177.509 176.117 -0.196 0.000 1.075 93 I CA 1.302 62.531 61.300 -0.119 0.000 1.332 93 I CB -0.233 37.709 38.000 -0.097 0.000 1.033 93 I HN 0.418 nan 8.210 nan 0.000 0.410 94 M N 2.044 121.458 119.600 -0.309 0.000 3.452 94 M HA -0.056 4.424 4.480 -0.000 0.000 0.210 94 M C 0.436 176.333 176.300 -0.672 0.000 1.646 94 M CA 0.473 55.391 55.300 -0.637 0.000 1.720 94 M CB -0.334 31.716 32.600 -0.916 0.000 1.239 94 M HN 0.011 nan 8.290 nan 0.000 0.530 95 K N 1.408 121.621 120.400 -0.310 0.000 2.911 95 K HA 0.002 4.322 4.320 -0.000 0.000 0.239 95 K C 0.743 177.357 176.600 0.024 0.000 1.090 95 K CA 0.099 56.317 56.287 -0.114 0.000 1.225 95 K CB -0.215 32.250 32.500 -0.058 0.000 1.087 95 K HN 0.535 nan 8.250 nan 0.000 0.464 96 Y N -0.644 119.642 120.300 -0.023 0.000 2.333 96 Y HA 0.011 4.561 4.550 -0.000 0.000 0.290 96 Y C 0.843 176.718 175.900 -0.043 0.000 1.144 96 Y CA 0.308 58.391 58.100 -0.029 0.000 1.228 96 Y CB -0.794 37.651 38.460 -0.025 0.000 0.985 96 Y HN 0.082 nan 8.280 nan 0.000 0.542 97 E N 0.445 120.920 120.200 0.459 0.000 2.321 97 E HA 0.370 4.720 4.350 -0.000 0.000 0.189 97 E C 0.689 177.331 176.600 0.070 0.000 1.125 97 E CA 0.428 56.919 56.400 0.152 0.000 1.005 97 E CB -0.139 29.652 29.700 0.152 0.000 1.140 97 E HN 0.583 nan 8.360 nan 0.000 0.457 98 A N 0.269 123.130 122.820 0.069 0.000 2.699 98 A HA 0.036 4.356 4.320 -0.000 0.000 0.242 98 A C 1.172 178.769 177.584 0.020 0.000 1.142 98 A CA -0.215 51.838 52.037 0.027 0.000 1.008 98 A CB 0.270 19.284 19.000 0.023 0.000 1.232 98 A HN 0.149 nan 8.150 nan 0.000 0.574 99 S N -0.203 115.516 115.700 0.032 0.000 2.593 99 S HA 0.284 4.753 4.470 -0.000 0.000 0.236 99 S C 0.309 174.907 174.600 -0.003 0.000 0.991 99 S CA -0.155 58.061 58.200 0.026 0.000 0.963 99 S CB -0.308 62.927 63.200 0.059 0.000 0.865 99 S HN 0.184 nan 8.310 nan 0.000 0.488 100 I N 3.661 124.205 120.570 -0.043 0.000 2.366 100 I HA 0.150 4.319 4.170 -0.000 0.000 0.302 100 I C 0.716 176.812 176.117 -0.036 0.000 1.194 100 I CA 0.034 61.275 61.300 -0.099 0.000 1.667 100 I CB -0.704 37.144 38.000 -0.253 0.000 1.501 100 I HN 0.417 nan 8.210 nan 0.000 0.776 101 L N 1.939 123.165 121.223 0.004 0.000 2.529 101 L HA 0.053 4.393 4.340 -0.000 0.000 0.223 101 L C 2.035 178.939 176.870 0.057 0.000 1.113 101 L CA 0.260 55.117 54.840 0.028 0.000 0.861 101 L CB -0.914 41.161 42.059 0.025 0.000 1.012 101 L HN 0.289 nan 8.230 nan 0.000 0.461 102 T N -1.204 113.390 114.554 0.068 0.000 2.502 102 T HA -0.184 4.166 4.350 -0.000 0.000 0.258 102 T C 0.478 175.304 174.700 0.210 0.000 1.146 102 T CA 1.281 63.460 62.100 0.133 0.000 1.208 102 T CB -0.563 68.416 68.868 0.184 0.000 0.864 102 T HN 0.250 nan 8.240 nan 0.000 0.402 103 H N 2.067 121.135 119.070 -0.004 0.000 3.286 103 H HA 0.321 4.877 4.556 -0.000 0.000 0.245 103 H C 0.695 176.029 175.328 0.010 0.000 0.932 103 H CA 0.738 56.786 56.048 0.000 0.000 1.407 103 H CB -0.196 29.564 29.762 -0.003 0.000 1.540 103 H HN 0.606 nan 8.280 nan 0.000 0.516 104 D N 0.033 120.503 120.400 0.117 0.000 1.554 104 D HA -0.185 4.455 4.640 -0.000 0.000 0.380 104 D C 1.745 178.088 176.300 0.072 0.000 1.139 104 D CA 1.005 55.053 54.000 0.081 0.000 0.499 104 D CB -0.831 40.012 40.800 0.071 0.000 3.272 104 D HN 0.287 nan 8.370 nan 0.000 0.210 105 S N -0.267 115.475 115.700 0.070 0.000 2.383 105 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 105 S C 1.884 176.536 174.600 0.088 0.000 1.030 105 S CA 2.601 60.845 58.200 0.072 0.000 1.002 105 S CB -0.480 62.755 63.200 0.058 0.000 0.829 105 S HN 0.359 nan 8.310 nan 0.000 0.467 106 S N 0.713 116.444 115.700 0.052 0.000 2.357 106 S HA 0.109 4.579 4.470 -0.000 0.000 0.221 106 S C 1.721 176.368 174.600 0.078 0.000 1.031 106 S CA 1.019 59.230 58.200 0.018 0.000 0.982 106 S CB -0.406 62.740 63.200 -0.089 0.000 0.853 106 S HN 0.628 nan 8.310 nan 0.000 0.458 107 I N 1.245 121.846 120.570 0.053 0.000 2.361 107 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 107 I C 2.364 178.530 176.117 0.082 0.000 1.133 107 I CA 1.148 62.480 61.300 0.055 0.000 1.413 107 I CB -0.042 37.982 38.000 0.040 0.000 1.073 107 I HN 0.222 nan 8.210 nan 0.000 0.424 108 R N -0.395 120.160 120.500 0.093 0.000 2.073 108 R HA -0.216 4.124 4.340 -0.000 0.000 0.229 108 R C 2.339 178.705 176.300 0.111 0.000 1.120 108 R CA 1.807 57.959 56.100 0.087 0.000 0.967 108 R CB -0.726 29.620 30.300 0.078 0.000 0.862 108 R HN 0.445 nan 8.270 nan 0.000 0.436 109 Y N 1.842 122.149 120.300 0.012 0.000 2.165 109 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 109 Y C 1.865 177.776 175.900 0.019 0.000 1.155 109 Y CA 1.424 59.531 58.100 0.012 0.000 1.164 109 Y CB -0.409 38.053 38.460 0.004 0.000 0.978 109 Y HN -0.048 nan 8.280 nan 0.000 0.513 110 L N 0.175 121.520 121.223 0.203 0.000 2.141 110 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 110 L C 2.523 179.398 176.870 0.008 0.000 1.094 110 L CA 1.649 56.534 54.840 0.075 0.000 0.763 110 L CB -0.659 41.481 42.059 0.135 0.000 0.908 110 L HN 0.294 nan 8.230 nan 0.000 0.437 111 Q N 0.893 120.712 119.800 0.031 0.000 2.124 111 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 111 Q C 1.876 177.892 176.000 0.026 0.000 0.977 111 Q CA 1.712 57.551 55.803 0.060 0.000 0.850 111 Q CB 0.046 28.816 28.738 0.053 0.000 0.901 111 Q HN 0.363 nan 8.270 nan 0.000 0.429 112 E N -0.133 120.029 120.200 -0.063 0.000 2.106 112 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 112 E C 1.848 178.363 176.600 -0.142 0.000 0.984 112 E CA 1.339 57.673 56.400 -0.110 0.000 0.806 112 E CB -0.129 29.477 29.700 -0.157 0.000 0.750 112 E HN 0.434 nan 8.360 nan 0.000 0.458 113 I N -0.159 120.287 120.570 -0.206 0.000 2.133 113 I HA -0.270 3.899 4.170 -0.000 0.000 0.238 113 I C 2.140 178.242 176.117 -0.024 0.000 1.074 113 I CA 1.087 62.295 61.300 -0.154 0.000 1.342 113 I CB -0.373 37.522 38.000 -0.175 0.000 1.053 113 I HN 0.164 nan 8.210 nan 0.000 0.404 114 Y N 2.535 122.781 120.300 -0.090 0.000 2.002 114 Y HA -0.403 4.147 4.550 -0.000 0.000 0.268 114 Y C 2.243 178.113 175.900 -0.049 0.000 1.177 114 Y CA 2.072 60.140 58.100 -0.053 0.000 1.111 114 Y CB -1.134 37.304 38.460 -0.037 0.000 0.952 114 Y HN 0.244 nan 8.280 nan 0.000 0.491 115 N N -0.708 117.897 118.700 -0.159 0.000 2.021 115 N HA -0.323 4.417 4.740 -0.000 0.000 0.198 115 N C 2.120 177.501 175.510 -0.216 0.000 1.041 115 N CA 1.767 54.669 53.050 -0.247 0.000 0.862 115 N CB -0.634 37.794 38.487 -0.099 0.000 1.048 115 N HN 0.412 nan 8.380 nan 0.000 0.427 116 S N 1.140 116.758 115.700 -0.137 0.000 2.368 116 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 116 S C 1.659 176.190 174.600 -0.116 0.000 1.044 116 S CA 1.903 60.037 58.200 -0.110 0.000 1.062 116 S CB -0.448 62.696 63.200 -0.093 0.000 0.931 116 S HN 0.270 nan 8.310 nan 0.000 0.440 117 N N 1.562 120.192 118.700 -0.117 0.000 2.104 117 N HA -0.028 4.712 4.740 -0.000 0.000 0.190 117 N C 1.715 177.136 175.510 -0.147 0.000 1.024 117 N CA 1.440 54.431 53.050 -0.098 0.000 0.853 117 N CB -0.637 37.822 38.487 -0.048 0.000 1.008 117 N HN 0.576 nan 8.380 nan 0.000 0.424 118 N N -0.349 118.185 118.700 -0.277 0.000 2.188 118 N HA -0.173 4.566 4.740 -0.000 0.000 0.184 118 N C 1.546 176.949 175.510 -0.178 0.000 1.018 118 N CA 0.657 53.532 53.050 -0.291 0.000 0.858 118 N CB 0.075 38.252 38.487 -0.517 0.000 0.989 118 N HN 0.174 nan 8.380 nan 0.000 0.426 119 Q N 1.614 121.319 119.800 -0.160 0.000 2.049 119 Q HA -0.028 4.311 4.340 -0.000 0.000 0.198 119 Q C 1.599 177.552 176.000 -0.078 0.000 0.971 119 Q CA 1.509 57.248 55.803 -0.105 0.000 0.833 119 Q CB 0.073 28.756 28.738 -0.092 0.000 0.896 119 Q HN 0.162 nan 8.270 nan 0.000 0.434 120 K N 0.050 120.404 120.400 -0.076 0.000 2.020 120 K HA -0.152 4.168 4.320 -0.000 0.000 0.212 120 K C 2.080 178.651 176.600 -0.049 0.000 1.050 120 K CA 1.793 58.047 56.287 -0.055 0.000 0.929 120 K CB -0.440 32.030 32.500 -0.050 0.000 0.714 120 K HN 0.270 nan 8.250 nan 0.000 0.443 121 I N 1.227 121.764 120.570 -0.054 0.000 2.300 121 I HA -0.319 3.851 4.170 -0.000 0.000 0.252 121 I C 2.230 178.323 176.117 -0.039 0.000 1.119 121 I CA 1.032 62.307 61.300 -0.042 0.000 1.384 121 I CB -0.610 37.364 38.000 -0.043 0.000 1.062 121 I HN -0.008 nan 8.210 nan 0.000 0.426 122 V N 1.420 121.305 119.914 -0.048 0.000 2.214 122 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 122 V C 2.203 178.278 176.094 -0.031 0.000 1.051 122 V CA 2.406 64.682 62.300 -0.040 0.000 1.003 122 V CB -0.943 30.853 31.823 -0.045 0.000 0.635 122 V HN 0.501 nan 8.190 nan 0.000 0.447 123 N N -0.167 118.515 118.700 -0.031 0.000 2.192 123 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 123 N C 1.823 177.320 175.510 -0.021 0.000 1.013 123 N CA 1.486 54.521 53.050 -0.025 0.000 0.863 123 N CB -0.320 38.151 38.487 -0.025 0.000 0.990 123 N HN 0.419 nan 8.380 nan 0.000 0.430 124 L N 1.571 122.781 121.223 -0.022 0.000 1.994 124 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 124 L C 2.214 179.075 176.870 -0.016 0.000 1.071 124 L CA 1.226 56.056 54.840 -0.018 0.000 0.745 124 L CB -0.215 41.833 42.059 -0.018 0.000 0.892 124 L HN 0.019 nan 8.230 nan 0.000 0.431 125 K N -0.144 120.245 120.400 -0.017 0.000 2.127 125 K HA -0.317 4.003 4.320 -0.000 0.000 0.212 125 K C 1.823 178.415 176.600 -0.013 0.000 1.050 125 K CA 1.979 58.258 56.287 -0.014 0.000 0.929 125 K CB -0.457 32.033 32.500 -0.016 0.000 0.715 125 K HN 0.493 nan 8.250 nan 0.000 0.457 126 E N 0.799 120.990 120.200 -0.014 0.000 2.051 126 E HA -0.144 4.205 4.350 -0.000 0.000 0.189 126 E C 2.058 178.650 176.600 -0.012 0.000 0.979 126 E CA 0.828 57.220 56.400 -0.013 0.000 0.803 126 E CB 0.054 29.745 29.700 -0.014 0.000 0.761 126 E HN 0.237 nan 8.360 nan 0.000 0.451 127 K N 0.237 120.630 120.400 -0.013 0.000 2.211 127 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 127 K C 1.814 178.408 176.600 -0.010 0.000 1.047 127 K CA 1.185 57.465 56.287 -0.011 0.000 0.935 127 K CB 0.085 32.578 32.500 -0.012 0.000 0.728 127 K HN 0.034 nan 8.250 nan 0.000 0.452 128 V N 0.729 120.637 119.914 -0.010 0.000 2.591 128 V HA -0.089 4.031 4.120 -0.000 0.000 0.249 128 V C 2.265 178.354 176.094 -0.008 0.000 1.053 128 V CA 1.615 63.909 62.300 -0.009 0.000 1.068 128 V CB -0.077 31.741 31.823 -0.009 0.000 0.689 128 V HN 0.515 nan 8.190 nan 0.000 0.462 129 A N -0.812 122.002 122.820 -0.009 0.000 1.968 129 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 129 A C 2.164 179.743 177.584 -0.008 0.000 1.169 129 A CA 1.754 53.786 52.037 -0.008 0.000 0.638 129 A CB -0.343 18.651 19.000 -0.009 0.000 0.812 129 A HN 0.571 nan 8.150 nan 0.000 0.446 130 Q N -0.805 118.990 119.800 -0.009 0.000 2.046 130 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 130 Q C 1.979 177.974 176.000 -0.008 0.000 0.975 130 Q CA 1.548 57.346 55.803 -0.008 0.000 0.836 130 Q CB -0.268 28.464 28.738 -0.009 0.000 0.896 130 Q HN 0.539 nan 8.270 nan 0.000 0.428 131 L N 1.323 122.541 121.223 -0.008 0.000 1.990 131 L HA -0.246 4.093 4.340 -0.000 0.000 0.213 131 L C 2.178 179.043 176.870 -0.007 0.000 1.072 131 L CA 2.606 57.441 54.840 -0.008 0.000 0.755 131 L CB -0.897 41.158 42.059 -0.007 0.000 0.889 131 L HN 0.417 nan 8.230 nan 0.000 0.432 132 E N -0.433 119.762 120.200 -0.007 0.000 2.108 132 E HA -0.342 4.008 4.350 -0.000 0.000 0.203 132 E C 2.036 178.632 176.600 -0.007 0.000 1.022 132 E CA 1.756 58.152 56.400 -0.007 0.000 0.823 132 E CB -0.381 29.315 29.700 -0.007 0.000 0.744 132 E HN 0.654 nan 8.360 nan 0.000 0.456 133 A N 0.550 123.366 122.820 -0.008 0.000 2.032 133 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 133 A C 1.894 179.473 177.584 -0.008 0.000 1.165 133 A CA 1.635 53.667 52.037 -0.008 0.000 0.645 133 A CB -0.337 18.658 19.000 -0.008 0.000 0.807 133 A HN 0.364 nan 8.150 nan 0.000 0.453 134 Q N -1.278 118.518 119.800 -0.008 0.000 2.365 134 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 134 Q C 0.616 176.611 176.000 -0.008 0.000 0.929 134 Q CA 0.367 56.165 55.803 -0.008 0.000 0.948 134 Q CB -0.283 28.450 28.738 -0.008 0.000 1.043 134 Q HN 0.689 nan 8.270 nan 0.000 0.505 135 C N 1.166 120.462 119.300 -0.008 0.000 2.742 135 C HA 0.265 4.725 4.460 -0.000 0.000 0.283 135 C C 1.575 176.561 174.990 -0.008 0.000 1.451 135 C CA -0.498 58.515 59.018 -0.008 0.000 1.785 135 C CB -0.086 27.649 27.740 -0.007 0.000 2.664 135 C HN 0.338 nan 8.230 nan 0.000 0.544 136 Q N 0.549 120.344 119.800 -0.009 0.000 2.349 136 Q HA 0.128 4.468 4.340 -0.000 0.000 0.209 136 Q C 0.509 176.503 176.000 -0.010 0.000 0.920 136 Q CA 0.730 56.528 55.803 -0.009 0.000 0.901 136 Q CB 0.067 28.799 28.738 -0.009 0.000 1.021 136 Q HN 0.552 nan 8.270 nan 0.000 0.519 137 E N 2.918 123.112 120.200 -0.011 0.000 2.384 137 E HA 0.144 4.494 4.350 -0.000 0.000 0.266 137 E C -1.687 174.906 176.600 -0.012 0.000 1.012 137 E CA -1.300 55.093 56.400 -0.012 0.000 0.901 137 E CB 0.225 29.917 29.700 -0.013 0.000 0.967 137 E HN 0.159 nan 8.360 nan 0.000 0.435 138 P HA 0.213 nan 4.420 nan 0.000 0.297 138 P C -0.277 177.014 177.300 -0.015 0.000 1.303 138 P CA -0.518 62.574 63.100 -0.013 0.000 0.753 138 P CB 0.649 32.341 31.700 -0.014 0.000 1.281 139 C N -0.540 118.751 119.300 -0.015 0.000 2.539 139 C HA 0.267 4.727 4.460 -0.000 0.000 0.392 139 C C 0.897 175.875 174.990 -0.019 0.000 1.269 139 C CA -0.143 58.865 59.018 -0.017 0.000 2.250 139 C CB -0.682 27.048 27.740 -0.016 0.000 2.584 139 C HN 0.434 nan 8.230 nan 0.000 0.589 140 K N 2.475 122.863 120.400 -0.020 0.000 2.315 140 K HA 0.082 4.402 4.320 -0.000 0.000 0.291 140 K C 0.117 176.701 176.600 -0.027 0.000 1.074 140 K CA 0.306 56.579 56.287 -0.024 0.000 0.936 140 K CB -0.219 32.267 32.500 -0.023 0.000 1.049 140 K HN 0.622 nan 8.250 nan 0.000 0.471 141 D N 2.144 122.526 120.400 -0.030 0.000 2.455 141 D HA -0.065 4.575 4.640 -0.000 0.000 0.241 141 D C 0.548 176.825 176.300 -0.037 0.000 1.138 141 D CA 0.389 54.369 54.000 -0.033 0.000 0.877 141 D CB 1.171 41.951 40.800 -0.033 0.000 1.187 141 D HN 0.695 nan 8.370 nan 0.000 0.451 142 T N -0.455 114.077 114.554 -0.037 0.000 3.100 142 T HA 0.054 4.404 4.350 -0.000 0.000 0.253 142 T C 0.892 175.567 174.700 -0.043 0.000 1.118 142 T CA -0.131 61.947 62.100 -0.037 0.000 1.058 142 T CB -0.240 68.610 68.868 -0.029 0.000 0.953 142 T HN 0.196 nan 8.240 nan 0.000 0.515 143 V N 0.646 120.532 119.914 -0.046 0.000 2.334 143 V HA 0.548 4.668 4.120 -0.000 0.000 0.267 143 V C -0.554 175.501 176.094 -0.064 0.000 1.040 143 V CA -1.051 61.221 62.300 -0.048 0.000 0.866 143 V CB 0.722 32.518 31.823 -0.044 0.000 1.019 143 V HN 0.156 nan 8.190 nan 0.000 0.468 144 Q N 4.677 124.417 119.800 -0.100 0.000 2.241 144 Q HA 0.597 4.937 4.340 -0.000 0.000 0.254 144 Q C -0.585 175.294 176.000 -0.202 0.000 0.917 144 Q CA -0.351 55.350 55.803 -0.169 0.000 0.919 144 Q CB 2.832 31.416 28.738 -0.257 0.000 1.237 144 Q HN 0.862 nan 8.270 nan 0.000 0.434 145 I N 3.418 123.895 120.570 -0.156 0.000 2.330 145 I HA 0.154 4.324 4.170 -0.000 0.000 0.286 145 I C -0.107 175.914 176.117 -0.160 0.000 1.025 145 I CA -0.696 60.558 61.300 -0.076 0.000 1.197 145 I CB 0.560 38.636 38.000 0.127 0.000 1.358 145 I HN 0.480 nan 8.210 nan 0.000 0.467 146 H N 3.824 122.726 119.070 -0.280 0.000 2.929 146 H HA -0.038 4.518 4.556 -0.000 0.000 0.358 146 H C 0.368 175.637 175.328 -0.097 0.000 1.111 146 H CA 0.491 56.373 56.048 -0.277 0.000 1.409 146 H CB 0.650 30.028 29.762 -0.641 0.000 1.373 146 H HN 0.507 nan 8.280 nan 0.000 0.610 147 D N 0.804 121.249 120.400 0.074 0.000 2.277 147 D HA 0.030 4.670 4.640 -0.000 0.000 0.208 147 D C 0.013 176.371 176.300 0.097 0.000 0.962 147 D CA 0.427 54.454 54.000 0.045 0.000 0.865 147 D CB 0.027 40.835 40.800 0.012 0.000 0.939 147 D HN 0.302 nan 8.370 nan 0.000 0.510 148 I N 0.437 121.125 120.570 0.196 0.000 2.692 148 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 148 I C 1.290 177.547 176.117 0.235 0.000 1.159 148 I CA 0.185 61.606 61.300 0.201 0.000 1.423 148 I CB 0.858 39.000 38.000 0.236 0.000 1.380 148 I HN -0.078 nan 8.210 nan 0.000 0.580 149 T N 1.569 116.188 114.554 0.108 0.000 2.544 149 T HA 0.931 5.281 4.350 -0.000 0.000 0.231 149 T C 0.064 174.764 174.700 -0.000 0.000 0.794 149 T CA 0.020 62.167 62.100 0.079 0.000 1.261 149 T CB 0.948 69.855 68.868 0.064 0.000 1.525 149 T HN 1.354 nan 8.240 nan 0.000 0.477 150 G N 0.286 109.074 108.800 -0.020 0.000 2.280 150 G HA2 0.064 4.024 3.960 -0.000 0.000 0.277 150 G HA3 0.064 4.024 3.960 -0.000 0.000 0.277 150 G C 0.157 175.024 174.900 -0.055 0.000 1.288 150 G CA 0.246 45.321 45.100 -0.041 0.000 1.075 150 G HN 0.760 nan 8.290 nan 0.000 0.480 151 K N 0.438 120.810 120.400 -0.047 0.000 2.031 151 K HA 0.172 4.491 4.320 -0.000 0.000 0.205 151 K C 0.812 177.395 176.600 -0.028 0.000 1.049 151 K CA 2.076 58.344 56.287 -0.032 0.000 0.939 151 K CB -0.126 32.366 32.500 -0.014 0.000 0.717 151 K HN 0.767 nan 8.250 nan 0.000 0.438 152 D N -3.613 116.772 120.400 -0.025 0.000 2.768 152 D HA 0.099 4.739 4.640 -0.000 0.000 0.327 152 D C 0.452 176.719 176.300 -0.055 0.000 1.302 152 D CA -0.764 53.230 54.000 -0.010 0.000 0.897 152 D CB 0.370 41.227 40.800 0.095 0.000 1.420 152 D HN -0.184 nan 8.370 nan 0.000 0.494 153 c N -0.829 117.742 118.600 -0.049 0.000 2.398 153 c HA -0.133 4.437 4.570 -0.000 0.000 0.276 153 c C 2.444 176.443 174.090 -0.152 0.000 1.222 153 c CA 1.678 57.935 56.329 -0.121 0.000 1.746 153 c CB -1.118 41.357 42.510 -0.059 0.000 2.039 153 c HN 0.740 nan 8.230 nan 0.000 0.470 154 Q N 1.542 121.284 119.800 -0.097 0.000 2.084 154 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 154 Q C 1.605 177.522 176.000 -0.138 0.000 0.978 154 Q CA 2.436 58.156 55.803 -0.138 0.000 0.844 154 Q CB -0.756 27.901 28.738 -0.134 0.000 0.898 154 Q HN 0.734 nan 8.270 nan 0.000 0.426 155 D N -0.719 119.617 120.400 -0.107 0.000 2.190 155 D HA -0.184 4.455 4.640 -0.000 0.000 0.200 155 D C 1.757 177.983 176.300 -0.124 0.000 0.992 155 D CA 1.502 55.441 54.000 -0.101 0.000 0.854 155 D CB -0.216 40.539 40.800 -0.074 0.000 0.936 155 D HN 0.445 nan 8.370 nan 0.000 0.462 156 I N 0.321 120.791 120.570 -0.168 0.000 2.142 156 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 156 I C 2.500 178.486 176.117 -0.218 0.000 1.078 156 I CA 1.212 62.373 61.300 -0.232 0.000 1.343 156 I CB -0.432 37.316 38.000 -0.419 0.000 1.046 156 I HN 0.142 nan 8.210 nan 0.000 0.405 157 A N 0.526 123.213 122.820 -0.221 0.000 1.908 157 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 157 A C 1.215 178.724 177.584 -0.126 0.000 1.181 157 A CA 1.576 53.509 52.037 -0.173 0.000 0.627 157 A CB -0.697 18.204 19.000 -0.164 0.000 0.818 157 A HN 0.441 nan 8.150 nan 0.000 0.445 158 N N -0.056 118.571 118.700 -0.123 0.000 3.178 158 N HA 0.311 5.051 4.740 -0.000 0.000 0.300 158 N C 0.058 175.517 175.510 -0.085 0.000 1.242 158 N CA 0.416 53.408 53.050 -0.098 0.000 1.192 158 N CB 0.307 38.733 38.487 -0.101 0.000 1.463 158 N HN 0.582 nan 8.380 nan 0.000 0.539 159 K N -0.732 119.621 120.400 -0.077 0.000 2.595 159 K HA 0.117 4.437 4.320 -0.000 0.000 0.113 159 K C 0.240 176.810 176.600 -0.050 0.000 1.480 159 K CA 0.366 56.617 56.287 -0.060 0.000 1.012 159 K CB -0.623 31.838 32.500 -0.066 0.000 1.477 159 K HN 0.429 nan 8.250 nan 0.000 0.347 160 G N 0.823 109.591 108.800 -0.055 0.000 2.615 160 G HA2 0.221 4.181 3.960 -0.000 0.000 0.218 160 G HA3 0.221 4.181 3.960 -0.000 0.000 0.218 160 G C -0.229 174.638 174.900 -0.055 0.000 1.339 160 G CA -0.136 44.940 45.100 -0.039 0.000 0.884 160 G HN 1.406 nan 8.290 nan 0.000 0.559 161 A N -1.923 120.884 122.820 -0.022 0.000 2.102 161 A HA 0.307 4.626 4.320 -0.000 0.000 0.249 161 A C 0.917 178.462 177.584 -0.066 0.000 1.348 161 A CA 1.517 53.539 52.037 -0.024 0.000 0.694 161 A CB -1.463 17.476 19.000 -0.103 0.000 1.175 161 A HN 2.539 nan 8.150 nan 0.000 0.287 162 K N 1.172 121.558 120.400 -0.024 0.000 2.348 162 K HA 0.163 4.482 4.320 -0.000 0.000 0.194 162 K C 0.804 177.398 176.600 -0.011 0.000 1.052 162 K CA 1.413 57.683 56.287 -0.028 0.000 1.004 162 K CB 0.227 32.721 32.500 -0.011 0.000 0.873 162 K HN 0.773 nan 8.250 nan 0.000 0.523 163 Q N 1.449 121.254 119.800 0.008 0.000 2.296 163 Q HA 0.173 4.513 4.340 -0.000 0.000 0.262 163 Q C -0.880 175.126 176.000 0.009 0.000 0.981 163 Q CA -0.180 55.638 55.803 0.025 0.000 0.905 163 Q CB 0.815 29.605 28.738 0.088 0.000 1.186 163 Q HN 0.249 nan 8.270 nan 0.000 0.399 164 S N 1.798 117.518 115.700 0.032 0.000 2.565 164 S HA 0.716 5.186 4.470 -0.000 0.000 0.276 164 S C 0.283 174.921 174.600 0.062 0.000 1.326 164 S CA -0.090 58.113 58.200 0.005 0.000 1.045 164 S CB 1.459 64.668 63.200 0.014 0.000 0.918 164 S HN 0.932 nan 8.310 nan 0.000 0.505 165 G N 0.926 109.728 108.800 0.003 0.000 2.513 165 G HA2 0.255 4.215 3.960 -0.000 0.000 0.182 165 G HA3 0.255 4.215 3.960 -0.000 0.000 0.182 165 G C -1.944 173.035 174.900 0.131 0.000 1.190 165 G CA -0.992 44.193 45.100 0.142 0.000 0.987 165 G HN 0.603 nan 8.290 nan 0.000 0.479 166 L N 1.235 122.524 121.223 0.109 0.000 2.280 166 L HA 0.675 5.014 4.340 -0.000 0.000 0.287 166 L C -1.155 175.706 176.870 -0.015 0.000 1.023 166 L CA -0.677 54.215 54.840 0.087 0.000 0.819 166 L CB 1.214 43.305 42.059 0.054 0.000 1.212 166 L HN 0.505 nan 8.230 nan 0.000 0.420 167 Y N 1.921 122.277 120.300 0.093 0.000 2.570 167 Y HA 0.471 5.021 4.550 -0.000 0.000 0.345 167 Y C -0.274 175.683 175.900 0.094 0.000 1.014 167 Y CA -0.748 57.429 58.100 0.130 0.000 1.063 167 Y CB 1.765 40.250 38.460 0.041 0.000 1.272 167 Y HN 0.252 nan 8.280 nan 0.000 0.477 168 F N 2.736 122.767 119.950 0.135 0.000 2.377 168 F HA 0.658 5.185 4.527 -0.000 0.000 0.328 168 F C 0.162 175.921 175.800 -0.067 0.000 1.094 168 F CA -0.599 57.411 58.000 0.018 0.000 1.093 168 F CB 1.104 40.104 39.000 0.000 0.000 1.214 168 F HN 0.328 nan 8.300 nan 0.000 0.518 169 I N -0.047 120.456 120.570 -0.113 0.000 2.994 169 I HA 0.594 4.764 4.170 -0.000 0.000 0.306 169 I C -1.639 174.214 176.117 -0.439 0.000 1.195 169 I CA -1.071 60.076 61.300 -0.255 0.000 1.001 169 I CB 2.515 40.336 38.000 -0.299 0.000 1.244 169 I HN 0.538 nan 8.210 nan 0.000 0.437 170 K N 4.378 124.616 120.400 -0.270 0.000 2.740 170 K HA 0.544 4.864 4.320 -0.000 0.000 0.246 170 K C -2.852 173.681 176.600 -0.112 0.000 1.021 170 K CA -1.314 54.850 56.287 -0.205 0.000 1.021 170 K CB 1.562 34.010 32.500 -0.087 0.000 1.233 170 K HN 0.382 nan 8.250 nan 0.000 0.497 171 P HA -0.119 nan 4.420 nan 0.000 0.267 171 P C 0.596 177.896 177.300 0.000 0.000 1.195 171 P CA -0.086 63.008 63.100 -0.009 0.000 0.773 171 P CB 0.575 32.302 31.700 0.046 0.000 0.837 172 L N 1.520 122.747 121.223 0.006 0.000 2.651 172 L HA -0.155 4.185 4.340 -0.000 0.000 0.236 172 L C 0.976 177.851 176.870 0.009 0.000 1.173 172 L CA 1.615 56.457 54.840 0.004 0.000 0.843 172 L CB -0.534 41.526 42.059 0.002 0.000 0.964 172 L HN 0.405 nan 8.230 nan 0.000 0.454 173 K N -2.304 118.106 120.400 0.017 0.000 2.932 173 K HA 0.456 4.776 4.320 -0.000 0.000 0.194 173 K C -0.061 176.565 176.600 0.043 0.000 1.132 173 K CA 0.000 56.301 56.287 0.023 0.000 1.071 173 K CB 0.203 32.710 32.500 0.013 0.000 0.727 173 K HN 0.035 nan 8.250 nan 0.000 0.441 174 A N 1.121 123.974 122.820 0.055 0.000 2.336 174 A HA 0.485 4.805 4.320 -0.000 0.000 0.291 174 A C -0.193 177.445 177.584 0.091 0.000 1.266 174 A CA -0.447 51.647 52.037 0.095 0.000 0.891 174 A CB 0.357 19.432 19.000 0.125 0.000 1.366 174 A HN 0.356 nan 8.150 nan 0.000 0.507 175 N N -1.406 117.366 118.700 0.119 0.000 1.931 175 N HA 0.291 5.031 4.740 -0.000 0.000 0.220 175 N C -0.267 175.305 175.510 0.102 0.000 1.173 175 N CA -0.086 53.026 53.050 0.104 0.000 1.066 175 N CB -0.336 38.220 38.487 0.114 0.000 1.410 175 N HN 0.696 nan 8.380 nan 0.000 0.465 176 Q N 0.976 120.852 119.800 0.127 0.000 2.308 176 Q HA 0.218 4.558 4.340 -0.000 0.000 0.207 176 Q C -0.192 175.896 176.000 0.147 0.000 1.035 176 Q CA -0.528 55.350 55.803 0.125 0.000 1.008 176 Q CB 0.187 29.008 28.738 0.139 0.000 1.168 176 Q HN 0.312 nan 8.270 nan 0.000 0.565 177 Q N 0.141 120.023 119.800 0.136 0.000 2.189 177 Q HA 0.579 4.919 4.340 -0.000 0.000 0.193 177 Q C -0.733 175.375 176.000 0.180 0.000 1.034 177 Q CA -0.574 55.268 55.803 0.064 0.000 1.062 177 Q CB 0.613 29.434 28.738 0.138 0.000 1.118 177 Q HN 0.702 nan 8.270 nan 0.000 0.569 178 F N -2.435 117.568 119.950 0.089 0.000 2.650 178 F HA 0.478 5.005 4.527 -0.000 0.000 0.310 178 F C -1.403 174.182 175.800 -0.357 0.000 1.112 178 F CA -1.632 56.293 58.000 -0.125 0.000 0.986 178 F CB 0.713 39.669 39.000 -0.074 0.000 1.285 178 F HN 0.427 nan 8.300 nan 0.000 0.440 179 L N 4.469 125.396 121.223 -0.494 0.000 2.467 179 L HA 0.774 5.114 4.340 -0.000 0.000 0.270 179 L C -0.410 176.428 176.870 -0.053 0.000 1.205 179 L CA -0.016 54.490 54.840 -0.557 0.000 0.828 179 L CB 1.382 43.023 42.059 -0.698 0.000 1.101 179 L HN 1.079 nan 8.230 nan 0.000 0.479 180 V N 2.554 122.466 119.914 -0.003 0.000 3.242 180 V HA 0.421 4.541 4.120 -0.000 0.000 0.298 180 V C -1.764 174.398 176.094 0.114 0.000 1.352 180 V CA -1.006 61.350 62.300 0.094 0.000 1.052 180 V CB 1.355 33.296 31.823 0.197 0.000 1.101 180 V HN 0.835 nan 8.190 nan 0.000 0.446 181 Y N 2.669 122.955 120.300 -0.024 0.000 2.367 181 Y HA 0.718 5.268 4.550 -0.000 0.000 0.342 181 Y C -0.025 175.941 175.900 0.111 0.000 0.979 181 Y CA -0.633 57.473 58.100 0.010 0.000 1.161 181 Y CB 0.707 39.108 38.460 -0.098 0.000 1.155 181 Y HN 0.951 nan 8.280 nan 0.000 0.503 182 c N 6.830 125.216 118.600 -0.357 0.000 2.273 182 c HA 0.278 4.848 4.570 -0.000 0.000 0.328 182 c C 0.126 173.893 174.090 -0.538 0.000 1.275 182 c CA -0.894 55.243 56.329 -0.319 0.000 1.704 182 c CB -0.089 42.275 42.510 -0.244 0.000 2.326 182 c HN 0.785 nan 8.230 nan 0.000 0.517 183 E N 3.084 123.119 120.200 -0.276 0.000 2.229 183 E HA 0.508 4.858 4.350 -0.000 0.000 0.283 183 E C -1.048 175.560 176.600 0.014 0.000 1.030 183 E CA -0.029 56.306 56.400 -0.108 0.000 0.836 183 E CB 0.599 30.368 29.700 0.115 0.000 1.068 183 E HN 0.634 nan 8.360 nan 0.000 0.401 184 I N 4.760 125.323 120.570 -0.012 0.000 2.499 184 I HA 0.160 4.330 4.170 -0.000 0.000 0.288 184 I C -0.464 175.670 176.117 0.028 0.000 1.048 184 I CA -0.959 60.337 61.300 -0.007 0.000 1.062 184 I CB 1.712 39.669 38.000 -0.072 0.000 1.238 184 I HN 0.510 nan 8.210 nan 0.000 0.426 185 D N 4.454 124.877 120.400 0.039 0.000 2.268 185 D HA 0.207 4.847 4.640 -0.000 0.000 0.249 185 D C 0.749 177.055 176.300 0.011 0.000 1.008 185 D CA -0.758 53.267 54.000 0.042 0.000 0.939 185 D CB 1.740 42.582 40.800 0.069 0.000 1.170 185 D HN 0.591 nan 8.370 nan 0.000 0.468 186 G N -0.935 107.874 108.800 0.014 0.000 3.397 186 G HA2 0.173 4.133 3.960 -0.000 0.000 0.248 186 G HA3 0.173 4.133 3.960 -0.000 0.000 0.248 186 G C 0.493 175.390 174.900 -0.005 0.000 1.284 186 G CA -0.137 44.964 45.100 0.003 0.000 1.570 186 G HN 0.405 nan 8.290 nan 0.000 0.587 187 S N -0.658 115.034 115.700 -0.013 0.000 2.998 187 S HA 0.374 4.844 4.470 -0.000 0.000 0.256 187 S C 1.347 175.916 174.600 -0.051 0.000 0.970 187 S CA 0.941 59.126 58.200 -0.026 0.000 1.238 187 S CB -0.344 62.847 63.200 -0.015 0.000 1.170 187 S HN 1.483 nan 8.310 nan 0.000 0.663 188 G N 2.217 110.982 108.800 -0.057 0.000 2.246 188 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.273 188 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.273 188 G C -0.598 174.228 174.900 -0.124 0.000 1.055 188 G CA 0.187 45.236 45.100 -0.085 0.000 0.851 188 G HN 0.588 nan 8.290 nan 0.000 0.500 189 N N 0.234 118.856 118.700 -0.130 0.000 2.511 189 N HA 0.533 5.273 4.740 -0.000 0.000 0.249 189 N C 0.512 175.889 175.510 -0.222 0.000 0.971 189 N CA 0.266 53.178 53.050 -0.230 0.000 0.938 189 N CB 1.709 40.034 38.487 -0.270 0.000 1.131 189 N HN 0.401 nan 8.380 nan 0.000 0.505 190 G N 1.512 110.169 108.800 -0.237 0.000 2.985 190 G HA2 0.059 4.019 3.960 -0.000 0.000 0.282 190 G HA3 0.059 4.019 3.960 -0.000 0.000 0.282 190 G C -0.408 174.424 174.900 -0.113 0.000 0.791 190 G CA -0.531 44.464 45.100 -0.175 0.000 1.934 190 G HN 0.494 nan 8.290 nan 0.000 0.563 191 W N 0.729 121.986 121.300 -0.072 0.000 2.148 191 W HA 0.378 5.038 4.660 -0.000 0.000 0.347 191 W C 1.044 177.532 176.519 -0.051 0.000 1.288 191 W CA -0.098 57.224 57.345 -0.039 0.000 1.252 191 W CB 1.167 30.615 29.460 -0.021 0.000 1.156 191 W HN 0.314 nan 8.180 nan 0.000 0.580 192 T N 1.067 115.832 114.554 0.351 0.000 2.864 192 T HA 0.473 4.823 4.350 -0.000 0.000 0.299 192 T C -1.127 173.711 174.700 0.229 0.000 1.011 192 T CA -0.841 61.373 62.100 0.191 0.000 0.975 192 T CB 0.227 69.146 68.868 0.086 0.000 0.962 192 T HN 0.159 nan 8.240 nan 0.000 0.448 193 V N 7.276 127.366 119.914 0.293 0.000 2.461 193 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 193 V C 0.728 177.085 176.094 0.438 0.000 1.047 193 V CA -0.466 62.047 62.300 0.355 0.000 0.955 193 V CB 0.140 32.265 31.823 0.503 0.000 0.988 193 V HN 0.974 nan 8.190 nan 0.000 0.471 194 F N 1.078 120.979 119.950 -0.081 0.000 2.767 194 F HA 0.516 5.042 4.527 -0.000 0.000 0.323 194 F C 0.456 175.815 175.800 -0.735 0.000 1.091 194 F CA -0.168 57.666 58.000 -0.277 0.000 1.192 194 F CB 0.704 39.452 39.000 -0.419 0.000 1.056 194 F HN 0.448 nan 8.300 nan 0.000 0.571 195 Q N 2.586 121.644 119.800 -1.237 0.000 2.280 195 Q HA 0.378 4.718 4.340 -0.000 0.000 0.259 195 Q C -1.953 173.584 176.000 -0.772 0.000 0.964 195 Q CA -0.250 54.883 55.803 -1.117 0.000 0.844 195 Q CB 2.577 30.758 28.738 -0.929 0.000 1.334 195 Q HN 0.544 nan 8.270 nan 0.000 0.423 196 K N 2.487 122.457 120.400 -0.717 0.000 2.477 196 K HA 0.666 4.986 4.320 -0.000 0.000 0.255 196 K C -1.263 175.270 176.600 -0.111 0.000 0.952 196 K CA -0.605 55.504 56.287 -0.297 0.000 0.826 196 K CB 1.368 33.812 32.500 -0.092 0.000 1.331 196 K HN 0.428 nan 8.250 nan 0.000 0.437 197 R N 3.631 124.087 120.500 -0.074 0.000 2.574 197 R HA 0.419 4.759 4.340 -0.000 0.000 0.288 197 R C -0.577 175.752 176.300 0.049 0.000 1.004 197 R CA -0.654 55.455 56.100 0.016 0.000 0.895 197 R CB 1.263 31.548 30.300 -0.025 0.000 1.191 197 R HN 0.631 nan 8.270 nan 0.000 0.444 198 L N 0.315 121.586 121.223 0.078 0.000 3.048 198 L HA 0.187 4.527 4.340 -0.000 0.000 0.278 198 L C 0.047 176.899 176.870 -0.030 0.000 1.057 198 L CA 0.471 55.326 54.840 0.025 0.000 1.073 198 L CB 0.353 42.401 42.059 -0.019 0.000 1.802 198 L HN 0.706 nan 8.230 nan 0.000 0.562 199 D N -1.745 118.550 120.400 -0.175 0.000 2.996 199 D HA 0.330 4.970 4.640 -0.000 0.000 0.343 199 D C 1.149 177.100 176.300 -0.582 0.000 1.574 199 D CA 0.247 54.020 54.000 -0.378 0.000 0.773 199 D CB -0.046 40.661 40.800 -0.155 0.000 1.241 199 D HN 0.127 nan 8.370 nan 0.000 0.469 200 G N 1.021 109.273 108.800 -0.912 0.000 2.256 200 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.279 200 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.279 200 G C 1.507 176.290 174.900 -0.196 0.000 0.998 200 G CA 1.404 46.176 45.100 -0.547 0.000 0.720 200 G HN 0.990 nan 8.290 nan 0.000 0.521 201 S N -1.731 113.887 115.700 -0.136 0.000 2.413 201 S HA 0.020 4.490 4.470 -0.000 0.000 0.237 201 S C 1.073 175.650 174.600 -0.038 0.000 1.044 201 S CA 1.777 59.942 58.200 -0.057 0.000 1.024 201 S CB -0.366 62.830 63.200 -0.007 0.000 0.829 201 S HN 1.482 nan 8.310 nan 0.000 0.475 202 V N 0.073 119.983 119.914 -0.006 0.000 3.001 202 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 202 V C -0.901 175.161 176.094 -0.054 0.000 1.099 202 V CA -1.205 61.049 62.300 -0.077 0.000 0.989 202 V CB 1.722 33.446 31.823 -0.165 0.000 1.040 202 V HN 0.170 nan 8.190 nan 0.000 0.434 203 D N 0.225 120.503 120.400 -0.203 0.000 2.232 203 D HA 0.434 5.074 4.640 -0.000 0.000 0.242 203 D C -0.047 176.015 176.300 -0.397 0.000 1.093 203 D CA -0.453 53.453 54.000 -0.156 0.000 0.845 203 D CB 1.347 42.053 40.800 -0.158 0.000 1.124 203 D HN 0.370 nan 8.370 nan 0.000 0.467 204 F N 1.782 121.625 119.950 -0.179 0.000 2.797 204 F HA 0.136 4.663 4.527 -0.000 0.000 0.302 204 F C 2.004 177.799 175.800 -0.008 0.000 1.130 204 F CA 0.006 57.911 58.000 -0.158 0.000 1.387 204 F CB 0.171 39.216 39.000 0.075 0.000 1.107 204 F HN 0.219 nan 8.300 nan 0.000 0.577 205 K N 1.875 122.310 120.400 0.058 0.000 3.077 205 K HA -0.028 4.292 4.320 -0.000 0.000 0.269 205 K C 0.172 176.817 176.600 0.075 0.000 0.973 205 K CA 0.236 56.581 56.287 0.096 0.000 1.162 205 K CB -0.649 31.853 32.500 0.004 0.000 1.079 205 K HN 0.116 nan 8.250 nan 0.000 0.456 206 K N 1.032 121.442 120.400 0.016 0.000 2.107 206 K HA 0.038 4.358 4.320 -0.000 0.000 0.251 206 K C 0.752 177.592 176.600 0.399 0.000 1.012 206 K CA -0.402 55.867 56.287 -0.030 0.000 0.920 206 K CB 0.489 32.642 32.500 -0.578 0.000 1.033 206 K HN 0.300 nan 8.250 nan 0.000 0.478 207 N N -0.689 118.272 118.700 0.435 0.000 2.386 207 N HA -0.023 4.717 4.740 -0.000 0.000 0.291 207 N C 1.096 176.806 175.510 0.333 0.000 1.309 207 N CA -0.396 52.908 53.050 0.424 0.000 0.948 207 N CB -0.096 38.620 38.487 0.381 0.000 1.083 207 N HN 0.668 nan 8.380 nan 0.000 0.527 208 W N 0.248 121.558 121.300 0.016 0.000 2.424 208 W HA -0.008 4.652 4.660 -0.000 0.000 0.323 208 W C 1.708 178.315 176.519 0.147 0.000 1.175 208 W CA 1.076 58.478 57.345 0.095 0.000 1.312 208 W CB -0.643 28.811 29.460 -0.010 0.000 1.186 208 W HN 0.391 nan 8.180 nan 0.000 0.463 209 I N 1.375 122.123 120.570 0.296 0.000 2.227 209 I HA -0.426 3.744 4.170 -0.000 0.000 0.250 209 I C 2.399 178.544 176.117 0.047 0.000 1.087 209 I CA 1.931 63.325 61.300 0.157 0.000 1.352 209 I CB -0.819 37.299 38.000 0.197 0.000 1.043 209 I HN 0.251 nan 8.210 nan 0.000 0.425 210 Q N -0.935 118.927 119.800 0.103 0.000 2.311 210 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 210 Q C 1.933 178.042 176.000 0.182 0.000 0.954 210 Q CA 1.029 56.905 55.803 0.122 0.000 0.885 210 Q CB -0.026 28.751 28.738 0.065 0.000 0.963 210 Q HN 0.518 nan 8.270 nan 0.000 0.471 211 Y N 1.150 121.478 120.300 0.046 0.000 2.457 211 Y HA -0.102 4.448 4.550 -0.000 0.000 0.292 211 Y C 2.299 178.072 175.900 -0.213 0.000 1.125 211 Y CA 1.009 59.098 58.100 -0.019 0.000 1.254 211 Y CB 0.303 38.710 38.460 -0.088 0.000 1.012 211 Y HN -0.017 nan 8.280 nan 0.000 0.555 212 K N 0.272 120.483 120.400 -0.315 0.000 1.995 212 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 212 K C 1.652 178.086 176.600 -0.276 0.000 1.041 212 K CA 1.616 57.592 56.287 -0.518 0.000 0.942 212 K CB -0.087 32.087 32.500 -0.542 0.000 0.731 212 K HN 0.035 nan 8.250 nan 0.000 0.439 213 E N 0.544 120.653 120.200 -0.151 0.000 2.338 213 E HA 0.022 4.372 4.350 -0.000 0.000 0.197 213 E C 0.930 177.465 176.600 -0.109 0.000 1.007 213 E CA 0.927 57.266 56.400 -0.102 0.000 0.849 213 E CB -0.232 29.451 29.700 -0.029 0.000 0.774 213 E HN 0.598 nan 8.360 nan 0.000 0.506 214 G N 1.119 109.869 108.800 -0.083 0.000 2.707 214 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.686 214 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.686 214 G C -0.520 174.330 174.900 -0.084 0.000 1.315 214 G CA -0.437 44.565 45.100 -0.164 0.000 0.832 214 G HN 0.223 nan 8.290 nan 0.000 0.573 215 F N -2.320 117.582 119.950 -0.079 0.000 2.807 215 F HA 0.898 5.425 4.527 -0.000 0.000 0.316 215 F C 0.607 176.315 175.800 -0.152 0.000 1.162 215 F CA -0.037 57.858 58.000 -0.174 0.000 0.910 215 F CB 0.869 39.685 39.000 -0.307 0.000 1.314 215 F HN 2.556 nan 8.300 nan 0.000 0.454 216 G N 0.372 109.176 108.800 0.006 0.000 2.483 216 G HA2 0.239 4.199 3.960 -0.000 0.000 0.521 216 G HA3 0.239 4.199 3.960 -0.000 0.000 0.521 216 G C -2.264 172.502 174.900 -0.223 0.000 1.278 216 G CA -0.770 44.281 45.100 -0.082 0.000 0.965 216 G HN 1.312 nan 8.290 nan 0.000 0.504 217 H N -0.834 118.286 119.070 0.084 0.000 2.744 217 H HA 0.571 5.127 4.556 -0.000 0.000 0.339 217 H C 0.178 175.386 175.328 -0.201 0.000 1.004 217 H CA -0.853 55.170 56.048 -0.041 0.000 1.257 217 H CB 1.571 31.316 29.762 -0.028 0.000 1.552 217 H HN 0.476 nan 8.280 nan 0.000 0.522 218 L N 2.442 123.573 121.223 -0.154 0.000 2.371 218 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 218 L C 0.457 177.218 176.870 -0.181 0.000 1.124 218 L CA -0.084 54.543 54.840 -0.354 0.000 0.816 218 L CB 1.274 43.154 42.059 -0.297 0.000 1.129 218 L HN 0.522 nan 8.230 nan 0.000 0.448 219 S N 2.863 118.444 115.700 -0.197 0.000 2.634 219 S HA 0.609 5.079 4.470 -0.000 0.000 0.296 219 S C -2.413 172.198 174.600 0.018 0.000 1.104 219 S CA -1.376 56.767 58.200 -0.096 0.000 0.920 219 S CB 2.092 65.223 63.200 -0.114 0.000 1.111 219 S HN 0.328 nan 8.310 nan 0.000 0.493 220 P HA 0.304 nan 4.420 nan 0.000 0.256 220 P C -0.102 177.311 177.300 0.188 0.000 1.384 220 P CA 0.155 63.335 63.100 0.134 0.000 0.879 220 P CB 0.270 32.001 31.700 0.052 0.000 1.403 221 T N -3.997 110.633 114.554 0.127 0.000 3.252 221 T HA 0.309 4.659 4.350 -0.000 0.000 0.295 221 T C 1.330 175.998 174.700 -0.053 0.000 0.897 221 T CA 0.190 62.357 62.100 0.112 0.000 0.905 221 T CB 0.255 69.150 68.868 0.045 0.000 1.202 221 T HN 0.100 nan 8.240 nan 0.000 0.592 222 G N 2.170 110.719 108.800 -0.418 0.000 2.196 222 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.268 222 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.268 222 G C 0.586 175.316 174.900 -0.282 0.000 0.975 222 G CA 0.742 45.404 45.100 -0.731 0.000 0.648 222 G HN 0.539 nan 8.290 nan 0.000 0.538 223 T N 1.162 115.624 114.554 -0.153 0.000 3.667 223 T HA 0.438 4.788 4.350 -0.000 0.000 0.240 223 T C 0.612 175.282 174.700 -0.049 0.000 0.919 223 T CA 1.351 63.405 62.100 -0.076 0.000 0.928 223 T CB -0.182 68.659 68.868 -0.044 0.000 1.151 223 T HN 1.111 nan 8.240 nan 0.000 0.644 224 T N -0.176 114.352 114.554 -0.042 0.000 2.840 224 T HA 0.358 4.708 4.350 -0.000 0.000 0.317 224 T C -1.863 172.935 174.700 0.163 0.000 1.401 224 T CA -1.002 61.123 62.100 0.042 0.000 1.028 224 T CB 1.768 70.657 68.868 0.034 0.000 1.317 224 T HN 0.193 nan 8.240 nan 0.000 0.495 225 E N 1.810 122.134 120.200 0.207 0.000 2.204 225 E HA 0.685 5.035 4.350 -0.000 0.000 0.276 225 E C -0.823 176.025 176.600 0.414 0.000 0.974 225 E CA -0.685 55.890 56.400 0.292 0.000 0.815 225 E CB 1.423 31.274 29.700 0.252 0.000 1.119 225 E HN 0.578 nan 8.360 nan 0.000 0.393 226 F N -1.118 118.902 119.950 0.118 0.000 3.052 226 F HA 0.567 5.094 4.527 -0.000 0.000 0.323 226 F C -2.038 173.784 175.800 0.036 0.000 1.178 226 F CA -1.379 56.622 58.000 0.001 0.000 0.892 226 F CB 1.354 40.306 39.000 -0.081 0.000 1.416 226 F HN 0.566 nan 8.300 nan 0.000 0.488 227 W N 3.872 124.855 121.300 -0.529 0.000 2.525 227 W HA 0.335 4.995 4.660 -0.000 0.000 0.294 227 W C -0.575 175.642 176.519 -0.502 0.000 1.044 227 W CA -0.759 56.155 57.345 -0.719 0.000 1.169 227 W CB 1.264 30.056 29.460 -1.113 0.000 1.042 227 W HN 0.765 nan 8.180 nan 0.000 0.316 228 L N 3.871 124.851 121.223 -0.405 0.000 2.123 228 L HA -0.146 4.194 4.340 -0.000 0.000 0.217 228 L C 1.275 177.872 176.870 -0.454 0.000 1.081 228 L CA 2.532 57.199 54.840 -0.289 0.000 0.772 228 L CB -0.557 41.403 42.059 -0.166 0.000 0.890 228 L HN 0.655 nan 8.230 nan 0.000 0.437 229 G N -1.366 107.001 108.800 -0.722 0.000 3.438 229 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.684 229 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.684 229 G C -0.025 174.664 174.900 -0.352 0.000 1.192 229 G CA -0.090 44.794 45.100 -0.361 0.000 1.013 229 G HN 0.240 nan 8.290 nan 0.000 0.530 230 N N 0.438 119.021 118.700 -0.194 0.000 2.103 230 N HA -0.329 4.411 4.740 -0.000 0.000 0.200 230 N C 2.039 177.356 175.510 -0.322 0.000 1.016 230 N CA 2.063 54.913 53.050 -0.334 0.000 0.890 230 N CB -0.129 37.830 38.487 -0.879 0.000 1.075 230 N HN 0.737 nan 8.380 nan 0.000 0.506 231 E N 1.458 121.319 120.200 -0.566 0.000 2.095 231 E HA -0.267 4.083 4.350 -0.000 0.000 0.212 231 E C 1.559 178.163 176.600 0.006 0.000 1.044 231 E CA 1.845 58.160 56.400 -0.141 0.000 0.857 231 E CB -0.147 29.462 29.700 -0.151 0.000 0.764 231 E HN 0.297 nan 8.360 nan 0.000 0.462 232 K N -0.100 120.179 120.400 -0.203 0.000 1.977 232 K HA -0.157 4.163 4.320 -0.000 0.000 0.218 232 K C 2.355 178.896 176.600 -0.098 0.000 1.051 232 K CA 2.113 58.229 56.287 -0.285 0.000 0.953 232 K CB -0.680 31.366 32.500 -0.756 0.000 0.727 232 K HN 0.253 nan 8.250 nan 0.000 0.445 233 I N 0.775 121.242 120.570 -0.172 0.000 2.354 233 I HA -0.379 3.791 4.170 -0.000 0.000 0.258 233 I C 2.534 178.666 176.117 0.025 0.000 1.111 233 I CA 1.621 62.819 61.300 -0.170 0.000 1.390 233 I CB -0.797 37.071 38.000 -0.220 0.000 1.072 233 I HN 0.332 nan 8.210 nan 0.000 0.441 234 H N 1.731 120.824 119.070 0.038 0.000 2.265 234 H HA -0.074 4.482 4.556 -0.000 0.000 0.305 234 H C 2.140 177.519 175.328 0.085 0.000 1.054 234 H CA 1.716 57.830 56.048 0.110 0.000 1.296 234 H CB -0.572 29.311 29.762 0.201 0.000 1.395 234 H HN 0.142 nan 8.280 nan 0.000 0.502 235 L N -0.186 120.990 121.223 -0.078 0.000 2.103 235 L HA -0.249 4.090 4.340 -0.000 0.000 0.215 235 L C 2.640 179.499 176.870 -0.019 0.000 1.080 235 L CA 1.737 56.516 54.840 -0.103 0.000 0.764 235 L CB -0.519 41.598 42.059 0.096 0.000 0.890 235 L HN 0.405 nan 8.230 nan 0.000 0.435 236 I N -1.072 119.508 120.570 0.017 0.000 2.333 236 I HA -0.205 3.965 4.170 -0.000 0.000 0.246 236 I C 2.738 178.818 176.117 -0.062 0.000 1.106 236 I CA 1.287 62.581 61.300 -0.009 0.000 1.411 236 I CB -0.205 37.754 38.000 -0.068 0.000 1.082 236 I HN 0.316 nan 8.210 nan 0.000 0.420 237 S N -0.229 115.413 115.700 -0.098 0.000 2.371 237 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 237 S C 1.655 176.370 174.600 0.192 0.000 1.029 237 S CA 1.165 59.375 58.200 0.015 0.000 0.978 237 S CB -0.929 62.382 63.200 0.186 0.000 0.833 237 S HN 0.486 nan 8.310 nan 0.000 0.466 238 T N 1.141 115.730 114.554 0.060 0.000 3.273 238 T HA 0.487 4.837 4.350 -0.000 0.000 0.242 238 T C -0.310 174.376 174.700 -0.024 0.000 1.228 238 T CA -0.886 61.226 62.100 0.019 0.000 1.173 238 T CB -0.551 68.295 68.868 -0.037 0.000 1.134 238 T HN 0.708 nan 8.240 nan 0.000 0.635 239 Q N -0.366 119.467 119.800 0.055 0.000 2.413 239 Q HA 0.679 5.019 4.340 -0.000 0.000 0.276 239 Q C 0.055 176.078 176.000 0.039 0.000 1.099 239 Q CA -1.192 54.632 55.803 0.034 0.000 0.814 239 Q CB 1.400 30.172 28.738 0.056 0.000 1.379 239 Q HN 0.089 nan 8.270 nan 0.000 0.436 240 S N 0.277 115.986 115.700 0.014 0.000 3.350 240 S HA -0.244 4.226 4.470 -0.000 0.000 0.386 240 S C 0.490 175.086 174.600 -0.007 0.000 0.994 240 S CA 0.720 58.920 58.200 -0.000 0.000 1.164 240 S CB -2.135 61.059 63.200 -0.011 0.000 0.898 240 S HN 1.562 nan 8.310 nan 0.000 0.468 241 A N -0.788 122.037 122.820 0.008 0.000 1.716 241 A HA -0.071 4.249 4.320 -0.000 0.000 0.234 241 A C 0.150 177.725 177.584 -0.015 0.000 1.206 241 A CA 1.283 53.325 52.037 0.009 0.000 0.747 241 A CB -1.172 17.833 19.000 0.010 0.000 1.176 241 A HN 0.850 nan 8.150 nan 0.000 0.274 242 I N 2.966 123.514 120.570 -0.038 0.000 2.619 242 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 242 I C -2.104 173.957 176.117 -0.094 0.000 1.100 242 I CA -2.337 58.905 61.300 -0.097 0.000 1.043 242 I CB 1.949 39.824 38.000 -0.209 0.000 1.239 242 I HN 0.324 nan 8.210 nan 0.000 0.420 243 P HA 0.009 nan 4.420 nan 0.000 0.262 243 P C -1.323 175.985 177.300 0.014 0.000 1.199 243 P CA 0.429 63.570 63.100 0.069 0.000 0.763 243 P CB 0.123 31.967 31.700 0.240 0.000 0.790 244 Y N 1.934 122.292 120.300 0.097 0.000 2.331 244 Y HA 0.458 5.008 4.550 -0.000 0.000 0.338 244 Y C 0.457 176.403 175.900 0.077 0.000 0.992 244 Y CA -1.012 57.144 58.100 0.092 0.000 1.121 244 Y CB 1.715 40.232 38.460 0.096 0.000 1.184 244 Y HN 0.433 nan 8.280 nan 0.000 0.469 245 A N 6.202 129.216 122.820 0.324 0.000 2.253 245 A HA 0.427 4.747 4.320 -0.000 0.000 0.316 245 A C -1.088 176.642 177.584 0.242 0.000 1.327 245 A CA -0.594 51.558 52.037 0.191 0.000 0.917 245 A CB 0.114 19.273 19.000 0.264 0.000 1.162 245 A HN 0.781 nan 8.150 nan 0.000 0.535 246 L N 2.711 124.022 121.223 0.146 0.000 2.397 246 L HA 0.568 4.908 4.340 -0.000 0.000 0.271 246 L C 0.406 177.303 176.870 0.044 0.000 1.148 246 L CA 0.255 55.083 54.840 -0.019 0.000 0.825 246 L CB 0.590 42.583 42.059 -0.110 0.000 1.117 246 L HN 0.788 nan 8.230 nan 0.000 0.456 247 R N 2.968 123.434 120.500 -0.057 0.000 2.854 247 R HA 0.867 5.206 4.340 -0.000 0.000 0.271 247 R C -1.944 174.183 176.300 -0.288 0.000 0.994 247 R CA -0.783 55.223 56.100 -0.156 0.000 0.945 247 R CB 1.977 32.084 30.300 -0.322 0.000 1.194 247 R HN 0.499 nan 8.270 nan 0.000 0.476 248 V N 2.385 122.100 119.914 -0.330 0.000 2.610 248 V HA 0.284 4.404 4.120 -0.000 0.000 0.298 248 V C -1.022 174.804 176.094 -0.447 0.000 1.067 248 V CA -0.806 61.231 62.300 -0.438 0.000 0.894 248 V CB 1.729 33.163 31.823 -0.648 0.000 1.015 248 V HN 0.820 nan 8.190 nan 0.000 0.432 249 E N 3.878 123.837 120.200 -0.400 0.000 2.214 249 E HA 0.731 5.081 4.350 -0.000 0.000 0.274 249 E C -1.513 174.879 176.600 -0.346 0.000 0.977 249 E CA -0.901 55.284 56.400 -0.358 0.000 0.827 249 E CB 2.384 31.911 29.700 -0.288 0.000 1.130 249 E HN 0.284 nan 8.360 nan 0.000 0.394 250 L N 1.893 122.916 121.223 -0.334 0.000 2.410 250 L HA 0.327 4.667 4.340 -0.000 0.000 0.270 250 L C -0.611 176.223 176.870 -0.061 0.000 0.983 250 L CA -0.274 54.448 54.840 -0.196 0.000 0.822 250 L CB 1.933 43.880 42.059 -0.186 0.000 1.285 250 L HN 0.515 nan 8.230 nan 0.000 0.409 251 E N 1.375 121.592 120.200 0.028 0.000 2.176 251 E HA 0.441 4.791 4.350 -0.000 0.000 0.267 251 E C -1.397 175.265 176.600 0.103 0.000 0.893 251 E CA -0.674 55.757 56.400 0.051 0.000 0.761 251 E CB 1.575 31.228 29.700 -0.078 0.000 1.133 251 E HN 0.697 nan 8.360 nan 0.000 0.409 252 D N 1.601 122.140 120.400 0.232 0.000 2.277 252 D HA 0.142 4.782 4.640 -0.000 0.000 0.250 252 D C -0.277 176.105 176.300 0.136 0.000 1.032 252 D CA -0.626 53.526 54.000 0.253 0.000 0.947 252 D CB 0.509 41.494 40.800 0.309 0.000 1.159 252 D HN 0.420 nan 8.370 nan 0.000 0.460 253 W N 0.256 121.653 121.300 0.162 0.000 3.468 253 W HA 0.193 4.853 4.660 -0.000 0.000 0.327 253 W C 0.403 176.991 176.519 0.114 0.000 1.259 253 W CA -0.359 57.059 57.345 0.121 0.000 1.706 253 W CB -0.523 29.001 29.460 0.107 0.000 1.007 253 W HN 0.357 nan 8.180 nan 0.000 0.764 254 N N -1.117 117.746 118.700 0.272 0.000 2.257 254 N HA 0.254 4.994 4.740 -0.000 0.000 0.200 254 N C 1.577 177.172 175.510 0.142 0.000 1.163 254 N CA 1.000 54.163 53.050 0.188 0.000 0.891 254 N CB 0.954 39.532 38.487 0.151 0.000 1.067 254 N HN 0.251 nan 8.380 nan 0.000 0.497 255 G N 1.283 110.162 108.800 0.132 0.000 2.475 255 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.198 255 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.198 255 G C 0.036 174.995 174.900 0.099 0.000 2.226 255 G CA -0.418 44.739 45.100 0.095 0.000 1.626 255 G HN 0.237 nan 8.290 nan 0.000 0.534 256 R N 1.238 121.813 120.500 0.125 0.000 3.127 256 R HA 0.496 4.835 4.340 -0.000 0.000 0.290 256 R C 0.913 177.321 176.300 0.180 0.000 1.089 256 R CA 1.224 57.406 56.100 0.136 0.000 1.188 256 R CB -0.146 30.249 30.300 0.158 0.000 1.175 256 R HN 0.767 nan 8.270 nan 0.000 0.550 257 T N -3.561 111.076 114.554 0.138 0.000 2.618 257 T HA 0.573 4.923 4.350 -0.000 0.000 0.293 257 T C -0.536 174.046 174.700 -0.196 0.000 1.093 257 T CA -0.537 61.585 62.100 0.037 0.000 1.061 257 T CB 1.438 70.268 68.868 -0.063 0.000 1.498 257 T HN 0.692 nan 8.240 nan 0.000 0.494 258 S N -0.767 114.607 115.700 -0.543 0.000 2.973 258 S HA 0.904 5.374 4.470 -0.000 0.000 0.317 258 S C -0.777 173.533 174.600 -0.482 0.000 1.196 258 S CA -0.138 57.651 58.200 -0.686 0.000 0.894 258 S CB 1.364 63.630 63.200 -1.557 0.000 1.292 258 S HN 1.695 nan 8.310 nan 0.000 0.614 259 T N -1.176 113.131 114.554 -0.411 0.000 2.927 259 T HA 0.586 4.936 4.350 -0.000 0.000 0.350 259 T C -2.241 172.377 174.700 -0.137 0.000 1.746 259 T CA 0.042 61.972 62.100 -0.283 0.000 1.081 259 T CB 0.767 69.514 68.868 -0.202 0.000 1.551 259 T HN 2.130 nan 8.240 nan 0.000 0.489 260 A N 3.305 126.072 122.820 -0.088 0.000 2.611 260 A HA 0.637 4.957 4.320 -0.000 0.000 0.282 260 A C -1.164 176.540 177.584 0.200 0.000 1.114 260 A CA -0.726 51.423 52.037 0.185 0.000 0.800 260 A CB 0.686 19.961 19.000 0.459 0.000 1.325 260 A HN 0.779 nan 8.150 nan 0.000 0.411 261 D N 0.752 121.218 120.400 0.109 0.000 2.312 261 D HA 0.609 5.249 4.640 -0.000 0.000 0.248 261 D C -0.428 176.048 176.300 0.294 0.000 1.086 261 D CA 0.497 54.583 54.000 0.143 0.000 0.948 261 D CB 0.689 41.526 40.800 0.061 0.000 1.162 261 D HN 0.552 nan 8.370 nan 0.000 0.446 262 Y N -0.710 119.540 120.300 -0.083 0.000 2.633 262 Y HA 0.636 5.186 4.550 -0.000 0.000 0.339 262 Y C -0.182 175.555 175.900 -0.271 0.000 1.045 262 Y CA -1.641 56.387 58.100 -0.120 0.000 1.098 262 Y CB 1.888 40.329 38.460 -0.033 0.000 1.296 262 Y HN 0.420 nan 8.280 nan 0.000 0.494 263 A N 1.292 123.911 122.820 -0.335 0.000 2.340 263 A HA 0.687 5.007 4.320 -0.000 0.000 0.331 263 A C -0.785 176.647 177.584 -0.253 0.000 1.140 263 A CA -0.851 50.791 52.037 -0.658 0.000 0.801 263 A CB 0.815 18.912 19.000 -1.505 0.000 1.234 263 A HN 0.881 nan 8.150 nan 0.000 0.469 264 M N 0.667 120.141 119.600 -0.210 0.000 3.299 264 M HA -0.165 4.315 4.480 -0.000 0.000 0.169 264 M C -0.717 175.656 176.300 0.122 0.000 1.347 264 M CA 0.605 55.906 55.300 0.002 0.000 0.856 264 M CB -1.524 31.075 32.600 -0.002 0.000 1.266 264 M HN 0.666 nan 8.290 nan 0.000 0.639 265 F N 2.666 122.654 119.950 0.064 0.000 2.375 265 F HA 0.717 5.244 4.527 -0.000 0.000 0.333 265 F C 0.362 176.187 175.800 0.042 0.000 1.104 265 F CA 0.072 58.110 58.000 0.064 0.000 1.149 265 F CB 0.751 39.763 39.000 0.019 0.000 1.190 265 F HN 0.312 nan 8.300 nan 0.000 0.533 266 K N 3.618 123.582 120.400 -0.727 0.000 2.578 266 K HA 0.563 4.883 4.320 -0.000 0.000 0.269 266 K C -1.962 174.338 176.600 -0.501 0.000 0.941 266 K CA -0.914 55.167 56.287 -0.343 0.000 0.847 266 K CB 2.523 34.944 32.500 -0.133 0.000 1.397 266 K HN 0.357 nan 8.250 nan 0.000 0.422 267 V N 1.820 121.683 119.914 -0.085 0.000 2.488 267 V HA 0.411 4.531 4.120 -0.000 0.000 0.293 267 V C 0.360 176.579 176.094 0.209 0.000 1.027 267 V CA -0.829 61.504 62.300 0.054 0.000 0.862 267 V CB 1.541 33.515 31.823 0.251 0.000 1.008 267 V HN 0.940 nan 8.190 nan 0.000 0.428 268 G N 5.750 114.584 108.800 0.058 0.000 2.684 268 G HA2 0.451 4.411 3.960 -0.000 0.000 0.255 268 G HA3 0.451 4.411 3.960 -0.000 0.000 0.255 268 G C -2.439 172.130 174.900 -0.552 0.000 1.219 268 G CA -0.934 44.135 45.100 -0.052 0.000 0.901 268 G HN 0.525 nan 8.290 nan 0.000 0.548 269 P HA 0.084 nan 4.420 nan 0.000 0.274 269 P C 0.509 177.352 177.300 -0.762 0.000 1.231 269 P CA -0.190 62.383 63.100 -0.878 0.000 0.790 269 P CB 1.386 32.869 31.700 -0.361 0.000 0.951 270 E N 2.217 121.852 120.200 -0.941 0.000 2.324 270 E HA -0.312 4.038 4.350 -0.000 0.000 0.205 270 E C 1.621 178.102 176.600 -0.198 0.000 1.031 270 E CA 1.831 57.866 56.400 -0.608 0.000 0.836 270 E CB -0.333 29.400 29.700 0.056 0.000 0.742 270 E HN 0.513 nan 8.360 nan 0.000 0.491 271 A N 0.632 123.349 122.820 -0.172 0.000 1.873 271 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 271 A C 1.786 179.322 177.584 -0.080 0.000 1.186 271 A CA 1.621 53.605 52.037 -0.088 0.000 0.616 271 A CB -0.155 18.808 19.000 -0.063 0.000 0.823 271 A HN 0.297 nan 8.150 nan 0.000 0.442 272 D N -1.102 119.234 120.400 -0.107 0.000 2.491 272 D HA 0.222 4.862 4.640 -0.000 0.000 0.228 272 D C 0.275 176.553 176.300 -0.036 0.000 1.183 272 D CA -0.042 53.925 54.000 -0.056 0.000 0.827 272 D CB -0.019 40.749 40.800 -0.053 0.000 0.989 272 D HN 0.151 nan 8.370 nan 0.000 0.494 273 K N -0.797 119.572 120.400 -0.052 0.000 3.404 273 K HA -0.284 4.036 4.320 -0.000 0.000 0.197 273 K C -0.600 175.815 176.600 -0.308 0.000 1.428 273 K CA 0.982 57.336 56.287 0.112 0.000 0.493 273 K CB -1.445 31.286 32.500 0.385 0.000 0.716 273 K HN 0.267 nan 8.250 nan 0.000 0.696 274 Y N 0.988 121.471 120.300 0.305 0.000 2.634 274 Y HA 0.299 4.849 4.550 -0.000 0.000 0.300 274 Y C 0.588 176.731 175.900 0.404 0.000 0.977 274 Y CA -0.404 57.797 58.100 0.169 0.000 1.134 274 Y CB 0.883 39.295 38.460 -0.081 0.000 1.161 274 Y HN 0.266 nan 8.280 nan 0.000 0.623 275 R N 1.759 122.438 120.500 0.297 0.000 2.623 275 R HA 0.302 4.642 4.340 -0.000 0.000 0.271 275 R C -0.545 175.729 176.300 -0.043 0.000 1.043 275 R CA -0.110 56.119 56.100 0.215 0.000 1.083 275 R CB 0.599 30.940 30.300 0.070 0.000 0.974 275 R HN 0.617 nan 8.270 nan 0.000 0.436 276 L N 2.939 123.916 121.223 -0.410 0.000 2.375 276 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 276 L C -0.832 175.748 176.870 -0.484 0.000 1.058 276 L CA -0.245 54.126 54.840 -0.783 0.000 0.803 276 L CB 1.844 42.933 42.059 -1.617 0.000 1.212 276 L HN 0.981 nan 8.230 nan 0.000 0.451 277 T N -0.040 114.227 114.554 -0.479 0.000 2.886 277 T HA 0.549 4.899 4.350 -0.000 0.000 0.330 277 T C -1.343 173.223 174.700 -0.224 0.000 1.488 277 T CA -0.646 61.245 62.100 -0.349 0.000 1.054 277 T CB 1.371 70.085 68.868 -0.257 0.000 1.348 277 T HN 0.790 nan 8.240 nan 0.000 0.489 278 Y N -0.747 119.509 120.300 -0.073 0.000 2.465 278 Y HA 0.805 5.355 4.550 -0.000 0.000 0.323 278 Y C 0.511 176.454 175.900 0.071 0.000 1.191 278 Y CA -0.976 57.145 58.100 0.035 0.000 1.082 278 Y CB 0.637 39.244 38.460 0.245 0.000 1.334 278 Y HN 0.863 nan 8.280 nan 0.000 0.449 279 A N 2.870 125.784 122.820 0.157 0.000 1.832 279 A HA 0.236 4.556 4.320 -0.000 0.000 0.214 279 A C 0.211 177.995 177.584 0.333 0.000 1.204 279 A CA 2.276 54.414 52.037 0.167 0.000 0.606 279 A CB -0.703 18.412 19.000 0.192 0.000 0.849 279 A HN 1.112 nan 8.150 nan 0.000 0.445 280 Y N -5.005 115.423 120.300 0.213 0.000 2.965 280 Y HA 0.675 5.225 4.550 -0.000 0.000 0.310 280 Y C -0.698 175.285 175.900 0.139 0.000 1.480 280 Y CA -2.300 55.913 58.100 0.187 0.000 1.094 280 Y CB 0.505 39.021 38.460 0.094 0.000 1.377 280 Y HN 0.117 nan 8.280 nan 0.000 0.514 281 F N 1.790 121.776 119.950 0.060 0.000 2.310 281 F HA 0.711 5.238 4.527 -0.000 0.000 0.365 281 F C 0.749 176.524 175.800 -0.041 0.000 1.080 281 F CA -1.247 56.578 58.000 -0.292 0.000 1.187 281 F CB 0.690 39.479 39.000 -0.351 0.000 1.465 281 F HN 0.778 nan 8.300 nan 0.000 0.496 282 A N 3.874 126.404 122.820 -0.482 0.000 2.298 282 A HA 0.329 4.649 4.320 -0.000 0.000 0.215 282 A C 1.473 178.760 177.584 -0.496 0.000 1.193 282 A CA 1.185 53.040 52.037 -0.304 0.000 0.697 282 A CB -1.598 17.271 19.000 -0.218 0.000 0.774 282 A HN 1.763 nan 8.150 nan 0.000 0.492 283 G N -3.414 104.584 108.800 -1.337 0.000 2.566 283 G HA2 0.532 4.492 3.960 -0.000 0.000 0.599 283 G HA3 0.532 4.492 3.960 -0.000 0.000 0.599 283 G C 0.287 174.818 174.900 -0.615 0.000 1.292 283 G CA -0.126 44.347 45.100 -1.045 0.000 0.922 283 G HN 2.492 nan 8.290 nan 0.000 0.514 284 G N -0.790 107.930 108.800 -0.134 0.000 2.760 284 G HA2 0.519 4.479 3.960 -0.000 0.000 0.540 284 G HA3 0.519 4.479 3.960 -0.000 0.000 0.540 284 G C 0.217 175.195 174.900 0.129 0.000 1.476 284 G CA 0.558 45.674 45.100 0.027 0.000 0.949 284 G HN 2.074 nan 8.290 nan 0.000 0.633 285 D N 0.451 120.870 120.400 0.031 0.000 2.400 285 D HA 0.124 4.764 4.640 -0.000 0.000 0.242 285 D C 1.454 177.735 176.300 -0.031 0.000 1.077 285 D CA 1.206 55.223 54.000 0.029 0.000 0.943 285 D CB 0.219 41.019 40.800 -0.000 0.000 0.882 285 D HN 0.768 nan 8.370 nan 0.000 0.529 286 A N 0.198 123.005 122.820 -0.022 0.000 1.909 286 A HA 0.573 4.893 4.320 -0.000 0.000 0.210 286 A C 1.328 179.052 177.584 0.233 0.000 1.273 286 A CA 0.826 52.825 52.037 -0.063 0.000 0.654 286 A CB 0.005 18.973 19.000 -0.054 0.000 0.945 286 A HN 0.672 nan 8.150 nan 0.000 0.471 287 G N -0.362 108.617 108.800 0.297 0.000 2.801 287 G HA2 0.237 4.197 3.960 -0.000 0.000 0.648 287 G HA3 0.237 4.197 3.960 -0.000 0.000 0.648 287 G C -1.339 173.426 174.900 -0.226 0.000 1.415 287 G CA -0.202 44.929 45.100 0.051 0.000 0.887 287 G HN 0.369 nan 8.290 nan 0.000 0.627 288 D N 1.133 120.914 120.400 -1.032 0.000 2.376 288 D HA 0.478 5.117 4.640 -0.000 0.000 0.278 288 D C 1.237 177.244 176.300 -0.487 0.000 1.384 288 D CA 1.252 54.518 54.000 -1.223 0.000 1.033 288 D CB 0.650 40.488 40.800 -1.603 0.000 1.102 288 D HN 0.839 nan 8.370 nan 0.000 0.530 289 A N 3.840 126.449 122.820 -0.353 0.000 1.973 289 A HA 0.020 4.340 4.320 -0.000 0.000 0.210 289 A C 1.642 179.210 177.584 -0.027 0.000 1.200 289 A CA -0.007 51.708 52.037 -0.538 0.000 0.707 289 A CB -0.266 17.767 19.000 -1.612 0.000 0.862 289 A HN 0.536 nan 8.150 nan 0.000 0.461 290 F N 1.267 121.291 119.950 0.124 0.000 2.333 290 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 290 F C 1.826 177.889 175.800 0.439 0.000 1.083 290 F CA 1.129 59.407 58.000 0.463 0.000 1.395 290 F CB -0.727 38.545 39.000 0.453 0.000 1.056 290 F HN 0.399 nan 8.300 nan 0.000 0.529 291 D N -0.411 120.251 120.400 0.436 0.000 2.351 291 D HA 0.155 4.795 4.640 -0.000 0.000 0.216 291 D C 1.050 177.449 176.300 0.164 0.000 0.968 291 D CA 1.262 55.434 54.000 0.286 0.000 0.899 291 D CB 0.044 40.916 40.800 0.120 0.000 0.907 291 D HN 0.342 nan 8.370 nan 0.000 0.514 292 G N -1.247 107.642 108.800 0.149 0.000 2.479 292 G HA2 0.186 4.146 3.960 -0.000 0.000 0.686 292 G HA3 0.186 4.146 3.960 -0.000 0.000 0.686 292 G C -1.347 173.600 174.900 0.079 0.000 1.295 292 G CA -0.516 44.619 45.100 0.059 0.000 0.922 292 G HN 0.390 nan 8.290 nan 0.000 0.582 293 F N 0.652 120.457 119.950 -0.243 0.000 2.651 293 F HA 0.562 5.089 4.527 -0.000 0.000 0.327 293 F C -1.446 174.049 175.800 -0.508 0.000 1.133 293 F CA -1.310 56.483 58.000 -0.346 0.000 1.076 293 F CB 1.878 40.639 39.000 -0.398 0.000 1.315 293 F HN 0.665 nan 8.300 nan 0.000 0.499 294 D N 5.007 125.028 120.400 -0.632 0.000 2.365 294 D HA 0.276 4.916 4.640 -0.000 0.000 0.237 294 D C 0.673 176.350 176.300 -1.038 0.000 1.190 294 D CA 0.013 53.607 54.000 -0.675 0.000 0.867 294 D CB 0.347 40.997 40.800 -0.250 0.000 1.050 294 D HN 0.322 nan 8.370 nan 0.000 0.491 295 F N 2.321 121.797 119.950 -0.789 0.000 2.365 295 F HA 0.146 4.673 4.527 -0.000 0.000 0.300 295 F C 2.408 178.026 175.800 -0.303 0.000 1.090 295 F CA 0.891 58.506 58.000 -0.643 0.000 1.408 295 F CB -0.227 38.537 39.000 -0.395 0.000 1.060 295 F HN 0.652 nan 8.300 nan 0.000 0.534 296 G N -0.412 108.337 108.800 -0.086 0.000 2.179 296 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.220 296 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.220 296 G C -0.060 174.846 174.900 0.010 0.000 0.990 296 G CA 0.054 45.137 45.100 -0.027 0.000 0.646 296 G HN 0.332 nan 8.290 nan 0.000 0.517 297 D N 1.415 121.840 120.400 0.042 0.000 3.057 297 D HA 0.510 5.150 4.640 -0.000 0.000 0.246 297 D C 0.061 176.383 176.300 0.037 0.000 1.238 297 D CA 0.919 54.947 54.000 0.048 0.000 0.949 297 D CB 0.327 41.168 40.800 0.067 0.000 1.086 297 D HN 0.586 nan 8.370 nan 0.000 0.487 298 D N -1.392 119.020 120.400 0.020 0.000 10.755 298 D HA -0.121 4.519 4.640 -0.000 0.000 0.295 298 D C -2.270 174.042 176.300 0.020 0.000 3.126 298 D CA -0.669 53.345 54.000 0.023 0.000 2.906 298 D CB 0.080 40.898 40.800 0.030 0.000 1.223 298 D HN -0.055 nan 8.370 nan 0.000 0.938 299 P HA -0.015 nan 4.420 nan 0.000 0.213 299 P C 0.176 177.511 177.300 0.057 0.000 1.170 299 P CA 0.823 63.940 63.100 0.028 0.000 0.893 299 P CB 0.164 31.881 31.700 0.028 0.000 0.784 300 S N 0.454 116.224 115.700 0.117 0.000 3.911 300 S HA -0.027 4.443 4.470 -0.000 0.000 0.188 300 S C 0.396 175.153 174.600 0.261 0.000 1.147 300 S CA 0.705 59.056 58.200 0.252 0.000 0.961 300 S CB -1.315 62.122 63.200 0.395 0.000 1.582 300 S HN 0.132 nan 8.310 nan 0.000 0.458 301 D N 0.007 120.471 120.400 0.107 0.000 2.525 301 D HA 0.179 4.819 4.640 -0.000 0.000 0.231 301 D C 1.443 177.672 176.300 -0.119 0.000 1.216 301 D CA 0.130 54.122 54.000 -0.014 0.000 0.813 301 D CB 0.409 41.142 40.800 -0.111 0.000 1.108 301 D HN 0.186 nan 8.370 nan 0.000 0.524 302 K N -0.585 119.797 120.400 -0.030 0.000 2.216 302 K HA 0.156 4.476 4.320 -0.000 0.000 0.207 302 K C 1.464 178.060 176.600 -0.006 0.000 1.041 302 K CA 0.323 56.587 56.287 -0.039 0.000 0.966 302 K CB -0.597 31.904 32.500 0.001 0.000 0.955 302 K HN -0.015 nan 8.250 nan 0.000 0.468 303 F N 0.284 120.157 119.950 -0.129 0.000 2.307 303 F HA -0.038 4.489 4.527 0.000 0.000 0.301 303 F C 0.952 176.530 175.800 -0.369 0.000 1.076 303 F CA 1.304 59.145 58.000 -0.264 0.000 1.383 303 F CB 0.010 38.773 39.000 -0.394 0.000 1.055 303 F HN 0.049 nan 8.300 nan 0.000 0.526 304 F N -0.712 119.115 119.950 -0.205 0.000 2.717 304 F HA 0.109 4.636 4.527 -0.000 0.000 0.295 304 F C 2.207 177.831 175.800 -0.292 0.000 1.117 304 F CA 0.970 58.791 58.000 -0.298 0.000 1.361 304 F CB -0.676 38.236 39.000 -0.145 0.000 1.112 304 F HN -0.052 nan 8.300 nan 0.000 0.594 305 T N -3.147 111.345 114.554 -0.104 0.000 3.244 305 T HA 0.177 4.527 4.350 -0.000 0.000 0.254 305 T C 0.579 175.141 174.700 -0.230 0.000 1.024 305 T CA -0.110 61.898 62.100 -0.154 0.000 0.920 305 T CB -0.323 68.454 68.868 -0.151 0.000 1.042 305 T HN 0.014 nan 8.240 nan 0.000 0.572 306 S N -0.057 115.479 115.700 -0.272 0.000 2.578 306 S HA 0.445 4.915 4.470 -0.000 0.000 0.283 306 S C 0.302 174.708 174.600 -0.323 0.000 1.195 306 S CA -0.522 57.575 58.200 -0.172 0.000 1.050 306 S CB 0.827 63.938 63.200 -0.148 0.000 1.012 306 S HN 0.539 nan 8.310 nan 0.000 0.511 307 H N 1.946 121.058 119.070 0.070 0.000 2.657 307 H HA 0.294 4.850 4.556 -0.000 0.000 0.262 307 H C 0.479 175.739 175.328 -0.114 0.000 0.965 307 H CA 0.110 56.120 56.048 -0.064 0.000 1.184 307 H CB -0.497 29.035 29.762 -0.384 0.000 1.443 307 H HN 0.656 nan 8.280 nan 0.000 0.462 308 N N 1.487 120.284 118.700 0.161 0.000 2.047 308 N HA -0.055 4.685 4.740 -0.000 0.000 0.292 308 N C 1.261 176.670 175.510 -0.169 0.000 1.356 308 N CA 1.508 54.494 53.050 -0.108 0.000 0.836 308 N CB -0.114 38.187 38.487 -0.310 0.000 1.113 308 N HN 0.713 nan 8.380 nan 0.000 0.495 309 G N 3.003 111.679 108.800 -0.206 0.000 2.234 309 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.235 309 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.235 309 G C 0.015 174.876 174.900 -0.065 0.000 0.997 309 G CA 0.162 45.179 45.100 -0.138 0.000 0.623 309 G HN 0.574 nan 8.290 nan 0.000 0.514 310 M N 2.661 122.239 119.600 -0.036 0.000 2.356 310 M HA 0.229 4.708 4.480 -0.000 0.000 0.348 310 M C 1.259 177.691 176.300 0.220 0.000 1.595 310 M CA 0.113 55.468 55.300 0.092 0.000 1.095 310 M CB -0.164 32.541 32.600 0.175 0.000 1.963 310 M HN 0.441 nan 8.290 nan 0.000 0.459 311 Q N 1.155 121.089 119.800 0.223 0.000 3.159 311 Q HA 0.101 4.441 4.340 -0.000 0.000 0.197 311 Q C -0.533 175.799 176.000 0.553 0.000 1.171 311 Q CA 0.450 56.450 55.803 0.328 0.000 1.232 311 Q CB 0.328 29.199 28.738 0.222 0.000 1.363 311 Q HN 0.543 nan 8.270 nan 0.000 0.699 312 F N -0.380 119.810 119.950 0.399 0.000 2.425 312 F HA 0.317 4.844 4.527 -0.000 0.000 0.331 312 F C -0.638 175.343 175.800 0.303 0.000 1.085 312 F CA -0.227 57.933 58.000 0.267 0.000 1.028 312 F CB 1.619 40.772 39.000 0.254 0.000 1.177 312 F HN 0.197 nan 8.300 nan 0.000 0.487 313 S N 2.060 117.468 115.700 -0.486 0.000 2.575 313 S HA 0.571 5.041 4.470 -0.000 0.000 0.278 313 S C -0.787 173.611 174.600 -0.336 0.000 1.139 313 S CA -0.803 57.287 58.200 -0.183 0.000 0.954 313 S CB 1.683 64.844 63.200 -0.065 0.000 1.054 313 S HN 0.764 nan 8.310 nan 0.000 0.483 314 T N -0.296 114.241 114.554 -0.028 0.000 2.924 314 T HA 0.472 4.822 4.350 -0.000 0.000 0.291 314 T C 1.400 176.091 174.700 -0.014 0.000 1.045 314 T CA -1.106 60.977 62.100 -0.029 0.000 1.015 314 T CB 0.888 69.827 68.868 0.119 0.000 1.103 314 T HN 0.851 nan 8.240 nan 0.000 0.496 315 W N 2.396 123.737 121.300 0.069 0.000 2.303 315 W HA -0.209 4.451 4.660 -0.000 0.000 0.287 315 W C 0.293 176.856 176.519 0.074 0.000 1.213 315 W CA 1.926 59.313 57.345 0.070 0.000 1.203 315 W CB -0.775 28.728 29.460 0.071 0.000 1.136 315 W HN 0.814 nan 8.180 nan 0.000 0.547 316 D N -0.433 119.391 120.400 -0.961 0.000 2.379 316 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 316 D C -0.405 175.624 176.300 -0.452 0.000 1.065 316 D CA -0.157 53.238 54.000 -1.008 0.000 0.848 316 D CB -0.798 38.971 40.800 -1.718 0.000 0.949 316 D HN 0.142 nan 8.370 nan 0.000 0.509 317 N N 0.930 119.467 118.700 -0.271 0.000 2.573 317 N HA 0.087 4.827 4.740 -0.000 0.000 0.262 317 N C -1.640 173.800 175.510 -0.117 0.000 1.029 317 N CA -0.417 52.483 53.050 -0.250 0.000 0.882 317 N CB 1.192 39.423 38.487 -0.427 0.000 1.204 317 N HN -0.153 nan 8.380 nan 0.000 0.519 318 D N 1.986 122.324 120.400 -0.104 0.000 2.336 318 D HA 0.178 4.818 4.640 -0.000 0.000 0.249 318 D C -0.412 175.869 176.300 -0.030 0.000 1.213 318 D CA 0.307 54.282 54.000 -0.042 0.000 0.870 318 D CB 0.472 41.251 40.800 -0.035 0.000 1.076 318 D HN 0.587 nan 8.370 nan 0.000 0.483 319 N N 1.947 120.655 118.700 0.014 0.000 2.232 319 N HA 0.068 4.808 4.740 -0.000 0.000 0.240 319 N C -0.987 174.566 175.510 0.073 0.000 1.307 319 N CA -0.470 52.605 53.050 0.042 0.000 0.859 319 N CB 0.782 39.317 38.487 0.081 0.000 1.260 319 N HN 0.421 nan 8.380 nan 0.000 0.501 320 D N -0.570 119.874 120.400 0.074 0.000 2.433 320 D HA 0.210 4.850 4.640 -0.000 0.000 0.255 320 D C 0.208 176.573 176.300 0.109 0.000 1.226 320 D CA -0.338 53.725 54.000 0.106 0.000 1.015 320 D CB 0.820 41.699 40.800 0.132 0.000 1.091 320 D HN -0.310 nan 8.370 nan 0.000 0.527 321 K N -0.204 120.284 120.400 0.147 0.000 3.135 321 K HA 0.267 4.587 4.320 -0.000 0.000 0.210 321 K C -1.430 175.309 176.600 0.232 0.000 1.176 321 K CA -0.562 55.829 56.287 0.174 0.000 1.064 321 K CB -0.366 32.255 32.500 0.201 0.000 1.009 321 K HN 0.486 nan 8.250 nan 0.000 0.472 322 F N 0.831 120.780 119.950 -0.002 0.000 2.630 322 F HA 0.137 4.664 4.527 -0.000 0.000 0.325 322 F C 0.862 176.641 175.800 -0.034 0.000 1.184 322 F CA -1.289 56.677 58.000 -0.056 0.000 1.011 322 F CB 1.249 40.182 39.000 -0.111 0.000 1.268 322 F HN 0.202 nan 8.300 nan 0.000 0.480 323 E N 2.584 122.414 120.200 -0.617 0.000 2.448 323 E HA 0.086 4.436 4.350 -0.000 0.000 0.203 323 E C 0.739 176.928 176.600 -0.684 0.000 1.046 323 E CA 0.795 56.880 56.400 -0.525 0.000 0.871 323 E CB -0.029 29.462 29.700 -0.348 0.000 0.790 323 E HN 0.634 nan 8.360 nan 0.000 0.545 324 G N 0.783 108.754 108.800 -1.382 0.000 2.491 324 G HA2 0.157 4.117 3.960 -0.000 0.000 0.327 324 G HA3 0.157 4.117 3.960 -0.000 0.000 0.327 324 G C -1.096 173.716 174.900 -0.148 0.000 1.189 324 G CA -0.932 43.747 45.100 -0.702 0.000 0.956 324 G HN 0.184 nan 8.290 nan 0.000 0.491 325 N N 0.387 119.125 118.700 0.064 0.000 2.807 325 N HA 0.091 4.831 4.740 -0.000 0.000 0.259 325 N C 1.457 177.084 175.510 0.195 0.000 1.149 325 N CA -0.672 52.452 53.050 0.124 0.000 1.042 325 N CB 0.017 38.578 38.487 0.123 0.000 1.367 325 N HN 0.382 nan 8.380 nan 0.000 0.516 326 c N 1.895 120.638 118.600 0.238 0.000 2.369 326 c HA -0.319 4.251 4.570 -0.000 0.000 0.273 326 c C 2.706 176.862 174.090 0.111 0.000 1.172 326 c CA 1.672 58.086 56.329 0.142 0.000 1.791 326 c CB -1.220 41.354 42.510 0.106 0.000 2.086 326 c HN 0.882 nan 8.230 nan 0.000 0.459 327 A N -0.383 122.508 122.820 0.120 0.000 1.865 327 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 327 A C 2.156 179.861 177.584 0.201 0.000 1.191 327 A CA 2.054 54.169 52.037 0.129 0.000 0.623 327 A CB -0.796 18.253 19.000 0.081 0.000 0.826 327 A HN 0.756 nan 8.150 nan 0.000 0.444 328 E N -0.285 120.055 120.200 0.234 0.000 2.204 328 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 328 E C 1.545 178.262 176.600 0.195 0.000 0.989 328 E CA 0.877 57.431 56.400 0.258 0.000 0.824 328 E CB -0.122 29.749 29.700 0.285 0.000 0.756 328 E HN 0.755 nan 8.360 nan 0.000 0.477 329 Q N -0.255 119.662 119.800 0.195 0.000 2.329 329 Q HA 0.001 4.341 4.340 -0.000 0.000 0.208 329 Q C 0.105 176.241 176.000 0.228 0.000 0.934 329 Q CA 0.258 56.188 55.803 0.213 0.000 0.951 329 Q CB 0.525 29.399 28.738 0.226 0.000 1.017 329 Q HN 0.259 nan 8.270 nan 0.000 0.490 330 D N -1.225 119.309 120.400 0.223 0.000 2.460 330 D HA 0.060 4.700 4.640 -0.000 0.000 0.263 330 D C 0.276 176.723 176.300 0.245 0.000 1.209 330 D CA 0.374 54.545 54.000 0.284 0.000 0.818 330 D CB 1.155 42.167 40.800 0.354 0.000 1.239 330 D HN 0.261 nan 8.370 nan 0.000 0.530 331 G N 2.545 111.463 108.800 0.196 0.000 2.367 331 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.295 331 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.295 331 G C 0.269 175.274 174.900 0.174 0.000 1.019 331 G CA 1.050 46.241 45.100 0.152 0.000 1.224 331 G HN 0.527 nan 8.290 nan 0.000 0.510 332 S N -1.049 114.779 115.700 0.213 0.000 2.815 332 S HA 0.916 5.385 4.470 -0.000 0.000 0.296 332 S C -0.095 174.509 174.600 0.007 0.000 1.224 332 S CA 0.135 58.441 58.200 0.175 0.000 0.938 332 S CB 1.495 64.779 63.200 0.142 0.000 1.285 332 S HN 1.945 nan 8.310 nan 0.000 0.549 333 G N 0.044 108.597 108.800 -0.411 0.000 2.707 333 G HA2 0.615 4.575 3.960 -0.000 0.000 0.299 333 G HA3 0.615 4.575 3.960 -0.000 0.000 0.299 333 G C -1.557 172.764 174.900 -0.966 0.000 1.442 333 G CA -0.518 43.965 45.100 -1.027 0.000 1.009 333 G HN 0.807 nan 8.290 nan 0.000 0.515 334 W N 2.881 123.248 121.300 -1.555 0.000 2.946 334 W HA 0.303 4.962 4.660 -0.000 0.000 0.364 334 W C -1.553 174.297 176.519 -1.115 0.000 1.134 334 W CA -1.309 55.279 57.345 -1.261 0.000 1.140 334 W CB 0.829 30.042 29.460 -0.412 0.000 1.463 334 W HN 0.467 nan 8.180 nan 0.000 0.564 335 W N 4.928 125.894 121.300 -0.557 0.000 2.507 335 W HA 0.300 4.960 4.660 -0.000 0.000 0.334 335 W C -0.076 176.609 176.519 0.277 0.000 1.165 335 W CA -0.308 56.961 57.345 -0.127 0.000 1.460 335 W CB -0.011 29.328 29.460 -0.202 0.000 1.404 335 W HN -0.134 nan 8.180 nan 0.000 0.435 336 M N 2.466 122.247 119.600 0.301 0.000 2.336 336 M HA 0.137 4.616 4.480 -0.000 0.000 0.342 336 M C 0.602 177.004 176.300 0.171 0.000 1.128 336 M CA -0.489 54.969 55.300 0.263 0.000 1.016 336 M CB 1.692 34.389 32.600 0.161 0.000 1.665 336 M HN 0.319 nan 8.290 nan 0.000 0.445 337 N N 2.192 120.961 118.700 0.116 0.000 2.378 337 N HA 0.225 4.965 4.740 -0.000 0.000 0.225 337 N C -0.183 175.388 175.510 0.102 0.000 1.153 337 N CA 0.586 53.675 53.050 0.065 0.000 1.134 337 N CB 0.771 39.229 38.487 -0.048 0.000 1.490 337 N HN 0.578 nan 8.380 nan 0.000 0.541 338 K N 0.067 120.501 120.400 0.056 0.000 3.439 338 K HA 0.325 4.645 4.320 -0.000 0.000 0.170 338 K C -0.859 175.561 176.600 -0.301 0.000 1.035 338 K CA -0.198 56.035 56.287 -0.090 0.000 0.794 338 K CB -0.420 31.999 32.500 -0.135 0.000 0.795 338 K HN 0.487 nan 8.250 nan 0.000 0.519 339 c N -0.655 117.749 118.600 -0.326 0.000 2.508 339 c HA 0.310 4.880 4.570 -0.000 0.000 0.407 339 c C 0.058 174.075 174.090 -0.121 0.000 1.494 339 c CA 0.089 56.281 56.329 -0.228 0.000 2.531 339 c CB 0.036 42.323 42.510 -0.372 0.000 2.480 339 c HN 0.843 nan 8.230 nan 0.000 0.614 340 H N -1.957 117.039 119.070 -0.124 0.000 3.003 340 H HA 0.654 5.210 4.556 -0.000 0.000 0.327 340 H C -0.527 174.867 175.328 0.110 0.000 1.353 340 H CA -0.024 56.015 56.048 -0.015 0.000 1.142 340 H CB 0.774 30.595 29.762 0.099 0.000 1.864 340 H HN 0.003 nan 8.280 nan 0.000 0.529 341 A N 0.802 123.934 122.820 0.519 0.000 2.551 341 A HA 0.618 4.938 4.320 -0.000 0.000 0.252 341 A C 0.606 178.438 177.584 0.413 0.000 1.199 341 A CA 0.336 52.642 52.037 0.448 0.000 0.972 341 A CB 0.007 19.154 19.000 0.246 0.000 1.153 341 A HN 1.150 nan 8.150 nan 0.000 0.559 342 G N -0.884 108.251 108.800 0.559 0.000 2.744 342 G HA2 0.511 4.471 3.960 -0.000 0.000 0.286 342 G HA3 0.511 4.471 3.960 -0.000 0.000 0.286 342 G C -1.156 173.699 174.900 -0.076 0.000 1.497 342 G CA -0.144 45.154 45.100 0.331 0.000 1.070 342 G HN 0.329 nan 8.290 nan 0.000 0.539 343 H N 3.991 122.798 119.070 -0.439 0.000 2.511 343 H HA 0.188 4.744 4.556 -0.000 0.000 0.228 343 H C 0.837 175.766 175.328 -0.665 0.000 1.424 343 H CA -0.534 54.874 56.048 -1.067 0.000 1.321 343 H CB 0.624 29.739 29.762 -1.079 0.000 1.720 343 H HN 0.375 nan 8.280 nan 0.000 0.512 344 L N 0.579 121.536 121.223 -0.444 0.000 2.549 344 L HA -0.086 4.254 4.340 -0.000 0.000 0.229 344 L C 0.498 177.175 176.870 -0.322 0.000 1.158 344 L CA 0.862 55.578 54.840 -0.206 0.000 0.842 344 L CB -0.116 41.961 42.059 0.030 0.000 0.952 344 L HN 0.399 nan 8.230 nan 0.000 0.452 345 N N -0.320 118.117 118.700 -0.439 0.000 2.338 345 N HA 0.152 4.892 4.740 -0.000 0.000 0.251 345 N C 0.497 175.662 175.510 -0.574 0.000 1.199 345 N CA -0.013 52.793 53.050 -0.405 0.000 0.879 345 N CB 0.846 39.375 38.487 0.070 0.000 1.159 345 N HN 0.126 nan 8.380 nan 0.000 0.514 346 G N -0.886 107.351 108.800 -0.939 0.000 2.531 346 G HA2 0.374 4.334 3.960 -0.000 0.000 0.281 346 G HA3 0.374 4.334 3.960 -0.000 0.000 0.281 346 G C -0.301 174.380 174.900 -0.364 0.000 1.382 346 G CA -0.388 44.147 45.100 -0.941 0.000 1.045 346 G HN 0.001 nan 8.290 nan 0.000 0.533 347 V N 0.031 119.831 119.914 -0.191 0.000 2.740 347 V HA 0.084 4.204 4.120 -0.000 0.000 0.303 347 V C -0.029 175.912 176.094 -0.255 0.000 1.054 347 V CA -0.258 61.936 62.300 -0.176 0.000 1.106 347 V CB 0.753 32.453 31.823 -0.206 0.000 0.957 347 V HN 0.495 nan 8.190 nan 0.000 0.486 348 Y N 4.771 124.864 120.300 -0.346 0.000 2.309 348 Y HA 0.439 4.989 4.550 -0.000 0.000 0.327 348 Y C -0.626 174.984 175.900 -0.482 0.000 1.172 348 Y CA -0.562 57.379 58.100 -0.265 0.000 1.280 348 Y CB 0.642 39.021 38.460 -0.134 0.000 1.234 348 Y HN 0.538 nan 8.280 nan 0.000 0.512 349 Y N 3.574 123.779 120.300 -0.158 0.000 2.406 349 Y HA 0.288 4.837 4.550 -0.000 0.000 0.340 349 Y C -0.355 175.590 175.900 0.075 0.000 0.975 349 Y CA -1.083 56.992 58.100 -0.042 0.000 1.056 349 Y CB 1.697 39.997 38.460 -0.267 0.000 1.210 349 Y HN 0.514 nan 8.280 nan 0.000 0.448 350 Q N 1.045 120.993 119.800 0.247 0.000 2.327 350 Q HA 0.464 4.804 4.340 -0.000 0.000 0.254 350 Q C 1.045 176.698 176.000 -0.578 0.000 0.952 350 Q CA 1.327 57.134 55.803 0.007 0.000 0.884 350 Q CB 0.941 29.696 28.738 0.029 0.000 1.224 350 Q HN 0.942 nan 8.270 nan 0.000 0.422 351 G N 2.076 109.815 108.800 -1.769 0.000 2.184 351 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 351 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 351 G C 0.942 175.142 174.900 -1.166 0.000 0.975 351 G CA 0.678 44.882 45.100 -1.492 0.000 0.642 351 G HN 1.704 nan 8.290 nan 0.000 0.536 352 G N -1.015 107.259 108.800 -0.877 0.000 2.934 352 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.231 352 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.231 352 G C 1.100 175.813 174.900 -0.310 0.000 1.235 352 G CA 1.895 46.661 45.100 -0.557 0.000 0.812 352 G HN 2.331 nan 8.290 nan 0.000 0.521 353 T N 0.632 115.175 114.554 -0.018 0.000 3.182 353 T HA 0.471 4.821 4.350 -0.000 0.000 0.274 353 T C 0.018 174.793 174.700 0.125 0.000 0.997 353 T CA 0.219 62.457 62.100 0.230 0.000 1.082 353 T CB -0.191 68.802 68.868 0.208 0.000 1.005 353 T HN 1.154 nan 8.240 nan 0.000 0.688 354 Y N 1.667 121.914 120.300 -0.088 0.000 2.404 354 Y HA 0.614 5.164 4.550 -0.000 0.000 0.344 354 Y C 0.271 176.106 175.900 -0.108 0.000 0.970 354 Y CA -2.299 55.691 58.100 -0.184 0.000 1.180 354 Y CB -0.073 37.992 38.460 -0.658 0.000 1.138 354 Y HN 0.572 nan 8.280 nan 0.000 0.510 355 S N 3.193 118.731 115.700 -0.270 0.000 2.596 355 S HA 0.073 4.543 4.470 -0.000 0.000 0.260 355 S C 1.187 175.448 174.600 -0.564 0.000 1.336 355 S CA -0.724 57.185 58.200 -0.485 0.000 0.993 355 S CB 1.047 64.044 63.200 -0.339 0.000 0.923 355 S HN 0.846 nan 8.310 nan 0.000 0.567 356 K N 0.481 120.361 120.400 -0.867 0.000 2.519 356 K HA -0.075 4.245 4.320 -0.000 0.000 0.196 356 K C 1.924 178.389 176.600 -0.225 0.000 1.041 356 K CA 0.941 56.912 56.287 -0.527 0.000 0.954 356 K CB -0.991 31.107 32.500 -0.670 0.000 0.774 356 K HN 0.741 nan 8.250 nan 0.000 0.480 357 A N 1.122 123.810 122.820 -0.220 0.000 1.851 357 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 357 A C 1.737 179.306 177.584 -0.025 0.000 1.195 357 A CA 2.111 54.079 52.037 -0.115 0.000 0.622 357 A CB -0.695 18.239 19.000 -0.110 0.000 0.831 357 A HN 0.468 nan 8.150 nan 0.000 0.444 358 S N 0.396 116.116 115.700 0.033 0.000 2.871 358 S HA 0.237 4.707 4.470 -0.000 0.000 0.254 358 S C 0.336 175.061 174.600 0.208 0.000 1.088 358 S CA 0.273 58.550 58.200 0.128 0.000 1.166 358 S CB -1.367 61.952 63.200 0.200 0.000 0.826 358 S HN 0.705 nan 8.310 nan 0.000 0.471 359 T N -1.156 113.486 114.554 0.147 0.000 2.772 359 T HA 0.497 4.847 4.350 -0.000 0.000 0.288 359 T C -2.265 172.499 174.700 0.107 0.000 0.994 359 T CA -1.977 60.237 62.100 0.190 0.000 0.951 359 T CB 1.441 70.425 68.868 0.192 0.000 0.933 359 T HN -0.098 nan 8.240 nan 0.000 0.447 360 P HA 0.055 nan 4.420 nan 0.000 0.228 360 P C 0.472 177.803 177.300 0.052 0.000 1.151 360 P CA 0.794 63.939 63.100 0.075 0.000 0.770 360 P CB 0.103 31.854 31.700 0.085 0.000 0.786 361 N N -3.671 115.059 118.700 0.051 0.000 2.075 361 N HA 0.208 4.948 4.740 -0.000 0.000 0.226 361 N C 0.872 176.244 175.510 -0.230 0.000 1.343 361 N CA 0.515 53.564 53.050 -0.001 0.000 0.881 361 N CB 1.066 39.636 38.487 0.139 0.000 1.100 361 N HN 0.039 nan 8.380 nan 0.000 0.495 362 G N 0.279 108.949 108.800 -0.218 0.000 2.184 362 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.206 362 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.206 362 G C -0.730 173.902 174.900 -0.446 0.000 0.995 362 G CA -0.308 44.553 45.100 -0.398 0.000 0.651 362 G HN 0.223 nan 8.290 nan 0.000 0.511 363 Y N 1.140 121.511 120.300 0.118 0.000 2.562 363 Y HA 0.507 5.057 4.550 -0.000 0.000 0.343 363 Y C 0.096 176.097 175.900 0.167 0.000 1.025 363 Y CA -1.445 56.710 58.100 0.092 0.000 1.082 363 Y CB 0.951 39.407 38.460 -0.008 0.000 1.264 363 Y HN 0.158 nan 8.280 nan 0.000 0.478 364 D N 0.533 121.071 120.400 0.229 0.000 2.385 364 D HA -0.047 4.593 4.640 -0.000 0.000 0.260 364 D C -0.096 176.428 176.300 0.375 0.000 1.326 364 D CA -0.051 54.078 54.000 0.216 0.000 1.023 364 D CB -0.403 40.246 40.800 -0.252 0.000 1.083 364 D HN 0.914 nan 8.370 nan 0.000 0.517 365 N N 1.111 120.078 118.700 0.445 0.000 2.238 365 N HA 0.125 4.865 4.740 -0.000 0.000 0.222 365 N C 0.700 176.388 175.510 0.297 0.000 1.133 365 N CA -0.905 52.412 53.050 0.445 0.000 0.854 365 N CB 0.607 39.321 38.487 0.377 0.000 1.041 365 N HN 0.275 nan 8.380 nan 0.000 0.510 366 G N 0.736 109.635 108.800 0.165 0.000 2.537 366 G HA2 0.353 4.313 3.960 -0.000 0.000 0.273 366 G HA3 0.353 4.313 3.960 -0.000 0.000 0.273 366 G C 0.126 174.952 174.900 -0.124 0.000 1.189 366 G CA -0.862 44.181 45.100 -0.095 0.000 0.881 366 G HN 0.293 nan 8.290 nan 0.000 0.535 367 I N 1.727 122.174 120.570 -0.204 0.000 2.755 367 I HA 0.010 4.180 4.170 -0.000 0.000 0.303 367 I C 0.712 176.789 176.117 -0.066 0.000 1.168 367 I CA 0.483 61.642 61.300 -0.234 0.000 1.588 367 I CB -1.076 36.751 38.000 -0.289 0.000 1.509 367 I HN 0.266 nan 8.210 nan 0.000 0.734 368 I N 2.330 122.921 120.570 0.034 0.000 2.793 368 I HA 0.560 4.730 4.170 -0.000 0.000 0.313 368 I C -0.709 175.607 176.117 0.332 0.000 0.998 368 I CA -0.684 60.735 61.300 0.199 0.000 1.140 368 I CB 2.369 40.513 38.000 0.240 0.000 1.327 368 I HN 0.547 nan 8.210 nan 0.000 0.491 369 W N 3.760 125.153 121.300 0.154 0.000 2.725 369 W HA 0.439 5.099 4.660 -0.000 0.000 0.305 369 W C 0.059 176.694 176.519 0.194 0.000 1.045 369 W CA -0.384 57.054 57.345 0.156 0.000 1.202 369 W CB 1.967 31.516 29.460 0.148 0.000 1.083 369 W HN 0.911 nan 8.180 nan 0.000 0.343 370 A N 2.347 125.084 122.820 -0.138 0.000 1.859 370 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 370 A C 1.994 179.336 177.584 -0.403 0.000 1.198 370 A CA 3.226 55.197 52.037 -0.111 0.000 0.629 370 A CB -1.194 17.837 19.000 0.051 0.000 0.830 370 A HN 0.733 nan 8.150 nan 0.000 0.446 371 T N -5.555 108.629 114.554 -0.617 0.000 2.969 371 T HA -0.213 4.137 4.350 -0.000 0.000 0.271 371 T C 1.259 175.943 174.700 -0.026 0.000 1.127 371 T CA 1.639 63.466 62.100 -0.455 0.000 1.102 371 T CB -0.257 68.371 68.868 -0.400 0.000 0.855 371 T HN 0.704 nan 8.240 nan 0.000 0.536 372 W N 0.991 122.247 121.300 -0.074 0.000 3.471 372 W HA 0.454 5.113 4.660 -0.000 0.000 0.230 372 W C 0.040 176.596 176.519 0.061 0.000 1.105 372 W CA -0.211 57.180 57.345 0.076 0.000 1.631 372 W CB 0.842 30.459 29.460 0.263 0.000 0.848 372 W HN -0.173 nan 8.180 nan 0.000 0.766 373 K N 0.076 120.518 120.400 0.070 0.000 2.378 373 K HA 0.328 4.648 4.320 -0.000 0.000 0.244 373 K C 0.272 176.896 176.600 0.039 0.000 1.039 373 K CA -0.115 56.105 56.287 -0.112 0.000 0.863 373 K CB 0.627 33.092 32.500 -0.058 0.000 1.326 373 K HN -0.090 nan 8.250 nan 0.000 0.460 374 T N -1.717 112.836 114.554 -0.002 0.000 2.649 374 T HA -0.025 4.325 4.350 -0.000 0.000 0.337 374 T C 1.183 175.964 174.700 0.136 0.000 1.070 374 T CA 0.287 62.444 62.100 0.094 0.000 1.052 374 T CB 0.560 69.480 68.868 0.087 0.000 0.994 374 T HN 0.672 nan 8.240 nan 0.000 0.544 375 R N -0.250 120.238 120.500 -0.020 0.000 2.240 375 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 375 R C 0.152 176.170 176.300 -0.471 0.000 1.011 375 R CA 0.197 56.114 56.100 -0.306 0.000 1.007 375 R CB 0.240 30.013 30.300 -0.879 0.000 0.911 375 R HN 0.757 nan 8.270 nan 0.000 0.468 376 W N 0.721 121.968 121.300 -0.088 0.000 1.993 376 W HA 0.243 4.903 4.660 -0.000 0.000 0.288 376 W C -1.405 175.106 176.519 -0.013 0.000 0.844 376 W CA -0.648 56.422 57.345 -0.457 0.000 2.039 376 W CB 0.125 29.224 29.460 -0.602 0.000 2.270 376 W HN -0.026 nan 8.180 nan 0.000 0.389 377 Y N 0.580 121.099 120.300 0.365 0.000 2.275 377 Y HA 0.258 4.808 4.550 -0.000 0.000 0.319 377 Y C -0.736 175.340 175.900 0.293 0.000 1.204 377 Y CA -0.477 57.813 58.100 0.318 0.000 1.136 377 Y CB 0.729 39.280 38.460 0.151 0.000 1.228 377 Y HN -0.178 nan 8.280 nan 0.000 0.413 378 S N 6.540 122.164 115.700 -0.126 0.000 2.462 378 S HA 0.518 4.988 4.470 -0.000 0.000 0.294 378 S C -0.116 174.324 174.600 -0.266 0.000 1.144 378 S CA -0.849 57.246 58.200 -0.176 0.000 1.088 378 S CB 0.791 63.847 63.200 -0.239 0.000 1.009 378 S HN 0.554 nan 8.310 nan 0.000 0.484 379 M N 2.726 122.252 119.600 -0.123 0.000 2.245 379 M HA 0.088 4.567 4.480 -0.000 0.000 0.312 379 M C 1.516 177.691 176.300 -0.209 0.000 1.070 379 M CA 0.365 55.626 55.300 -0.065 0.000 1.162 379 M CB -0.293 32.326 32.600 0.032 0.000 1.448 379 M HN 0.725 nan 8.290 nan 0.000 0.446 380 K N 0.628 120.820 120.400 -0.346 0.000 2.418 380 K HA 0.046 4.366 4.320 -0.000 0.000 0.195 380 K C -0.223 176.135 176.600 -0.403 0.000 1.035 380 K CA 1.003 56.796 56.287 -0.823 0.000 1.003 380 K CB 0.586 32.147 32.500 -1.565 0.000 0.793 380 K HN 0.512 nan 8.250 nan 0.000 0.494 381 K N -0.995 119.265 120.400 -0.233 0.000 2.625 381 K HA 0.196 4.516 4.320 -0.000 0.000 0.284 381 K C -1.657 174.861 176.600 -0.136 0.000 0.984 381 K CA -0.695 55.509 56.287 -0.138 0.000 0.865 381 K CB 2.322 34.739 32.500 -0.139 0.000 1.468 381 K HN -0.218 nan 8.250 nan 0.000 0.407 382 T N 0.929 115.398 114.554 -0.143 0.000 3.295 382 T HA 0.293 4.643 4.350 -0.000 0.000 0.331 382 T C -1.731 172.844 174.700 -0.208 0.000 1.142 382 T CA -0.505 61.482 62.100 -0.188 0.000 1.078 382 T CB 1.471 70.221 68.868 -0.196 0.000 1.150 382 T HN 0.611 nan 8.240 nan 0.000 0.465 383 T N 3.837 118.246 114.554 -0.241 0.000 2.930 383 T HA 0.601 4.950 4.350 -0.000 0.000 0.313 383 T C -0.468 174.055 174.700 -0.295 0.000 1.019 383 T CA -0.758 61.192 62.100 -0.250 0.000 1.004 383 T CB 0.140 68.891 68.868 -0.194 0.000 0.987 383 T HN 0.490 nan 8.240 nan 0.000 0.456 384 M N 5.942 125.343 119.600 -0.331 0.000 2.063 384 M HA 0.438 4.918 4.480 -0.000 0.000 0.348 384 M C 0.207 176.478 176.300 -0.047 0.000 1.180 384 M CA -0.704 54.445 55.300 -0.251 0.000 1.059 384 M CB 1.166 33.592 32.600 -0.290 0.000 1.544 384 M HN 0.604 nan 8.290 nan 0.000 0.447 385 K N 4.139 124.500 120.400 -0.065 0.000 2.316 385 K HA 0.963 5.283 4.320 -0.000 0.000 0.234 385 K C -0.807 175.786 176.600 -0.013 0.000 1.054 385 K CA -0.952 55.344 56.287 0.014 0.000 0.879 385 K CB 2.208 34.579 32.500 -0.214 0.000 1.252 385 K HN 0.780 nan 8.250 nan 0.000 0.471 386 I N -2.408 118.238 120.570 0.127 0.000 2.827 386 I HA 0.654 4.824 4.170 -0.000 0.000 0.298 386 I C -1.326 174.994 176.117 0.338 0.000 1.235 386 I CA -1.176 60.171 61.300 0.079 0.000 1.021 386 I CB 2.141 39.829 38.000 -0.521 0.000 1.259 386 I HN 0.764 nan 8.210 nan 0.000 0.427 387 I N 4.017 124.795 120.570 0.347 0.000 2.841 387 I HA 0.509 4.679 4.170 -0.000 0.000 0.298 387 I C -2.750 173.541 176.117 0.290 0.000 1.304 387 I CA -2.211 59.157 61.300 0.115 0.000 1.019 387 I CB 3.594 41.052 38.000 -0.903 0.000 1.282 387 I HN 0.408 nan 8.210 nan 0.000 0.432 388 P HA 0.026 nan 4.420 nan 0.000 0.264 388 P C 0.395 177.635 177.300 -0.100 0.000 1.236 388 P CA 0.146 63.015 63.100 -0.384 0.000 0.811 388 P CB 0.005 31.463 31.700 -0.403 0.000 0.840 389 F N 5.443 125.298 119.950 -0.157 0.000 2.133 389 F HA -0.365 4.162 4.527 -0.000 0.000 0.285 389 F C 1.236 176.970 175.800 -0.111 0.000 1.111 389 F CA 1.967 59.916 58.000 -0.085 0.000 1.310 389 F CB -1.341 37.633 39.000 -0.042 0.000 0.921 389 F HN 0.403 nan 8.300 nan 0.000 0.517 390 N N 2.144 120.677 118.700 -0.278 0.000 2.695 390 N HA -0.137 4.603 4.740 -0.000 0.000 0.315 390 N C 0.190 175.514 175.510 -0.310 0.000 1.166 390 N CA 0.682 53.489 53.050 -0.405 0.000 1.166 390 N CB -0.527 37.806 38.487 -0.257 0.000 1.407 390 N HN 0.611 nan 8.380 nan 0.000 0.529 391 R N 0.000 120.311 120.500 -0.315 0.000 2.786 391 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 391 R CA 0.000 55.959 56.100 -0.235 0.000 0.921 391 R CB 0.000 30.147 30.300 -0.255 0.000 0.687 391 R HN 0.000 nan 8.270 nan 0.000 0.535