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 2hpc_1_I 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 DATA SEQUENCE LTIGE 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 0.000 176.594 176.600 -0.010 0.000 1.382 92 E CA 0.000 56.387 56.400 -0.021 0.000 0.976 92 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 93 I N 1.456 122.030 120.570 0.006 0.000 2.546 93 I HA -0.010 4.160 4.170 -0.000 0.000 0.255 93 I C 2.267 178.425 176.117 0.067 0.000 1.163 93 I CA 1.103 62.427 61.300 0.040 0.000 1.457 93 I CB -0.104 37.921 38.000 0.042 0.000 1.092 93 I HN 0.101 nan 8.210 nan 0.000 0.434 94 M N -0.131 119.468 119.600 -0.002 0.000 2.561 94 M HA 0.089 4.569 4.480 -0.000 0.000 0.238 94 M C 1.019 177.081 176.300 -0.395 0.000 1.131 94 M CA 0.915 56.156 55.300 -0.099 0.000 1.046 94 M CB -0.147 32.402 32.600 -0.085 0.000 1.532 94 M HN -0.222 nan 8.290 nan 0.000 0.497 95 K N 0.271 120.546 120.400 -0.208 0.000 2.627 95 K HA 0.011 4.331 4.320 -0.000 0.000 0.212 95 K C 0.525 177.027 176.600 -0.163 0.000 1.041 95 K CA 0.185 56.344 56.287 -0.213 0.000 1.205 95 K CB -0.781 31.663 32.500 -0.095 0.000 0.936 95 K HN 0.597 nan 8.250 nan 0.000 0.489 96 Y N -0.843 119.460 120.300 0.005 0.000 2.509 96 Y HA -0.008 4.542 4.550 -0.000 0.000 0.293 96 Y C 1.619 177.524 175.900 0.007 0.000 1.133 96 Y CA 0.044 58.147 58.100 0.005 0.000 1.283 96 Y CB -0.511 37.950 38.460 0.003 0.000 1.001 96 Y HN -0.017 nan 8.280 nan 0.000 0.555 97 E N 1.914 121.875 120.200 -0.399 0.000 2.399 97 E HA -0.335 4.015 4.350 -0.000 0.000 0.231 97 E C 1.859 178.494 176.600 0.058 0.000 1.124 97 E CA 1.947 58.237 56.400 -0.184 0.000 0.941 97 E CB -0.744 28.820 29.700 -0.227 0.000 0.790 97 E HN 0.632 nan 8.360 nan 0.000 0.461 98 A N -0.497 122.355 122.820 0.054 0.000 2.121 98 A HA -0.047 4.273 4.320 -0.000 0.000 0.204 98 A C 1.706 179.345 177.584 0.092 0.000 1.365 98 A CA 1.314 53.389 52.037 0.063 0.000 1.070 98 A CB -0.767 18.259 19.000 0.044 0.000 0.756 98 A HN 0.341 nan 8.150 nan 0.000 0.521 99 S N -0.409 115.375 115.700 0.141 0.000 2.564 99 S HA 0.027 4.497 4.470 -0.000 0.000 0.231 99 S C 1.068 175.718 174.600 0.084 0.000 1.067 99 S CA 0.423 58.694 58.200 0.119 0.000 0.908 99 S CB -0.765 62.533 63.200 0.163 0.000 0.809 99 S HN 0.803 nan 8.310 nan 0.000 0.491 100 I N 1.142 121.783 120.570 0.118 0.000 3.407 100 I HA 0.287 4.457 4.170 -0.000 0.000 0.308 100 I C 0.447 176.616 176.117 0.086 0.000 1.151 100 I CA 0.108 61.465 61.300 0.096 0.000 1.258 100 I CB -1.163 36.953 38.000 0.194 0.000 1.021 100 I HN 0.046 nan 8.210 nan 0.000 0.543 101 L N 0.707 121.953 121.223 0.037 0.000 2.650 101 L HA 0.045 4.385 4.340 -0.000 0.000 0.235 101 L C 2.096 178.940 176.870 -0.043 0.000 1.149 101 L CA 0.898 55.760 54.840 0.035 0.000 0.887 101 L CB -1.516 40.558 42.059 0.025 0.000 1.021 101 L HN 0.431 nan 8.230 nan 0.000 0.441 102 T N -1.942 112.509 114.554 -0.172 0.000 2.869 102 T HA -0.208 4.142 4.350 -0.000 0.000 0.270 102 T C 1.597 176.109 174.700 -0.313 0.000 1.082 102 T CA 1.506 63.436 62.100 -0.284 0.000 1.123 102 T CB -0.372 68.248 68.868 -0.413 0.000 0.856 102 T HN 0.447 nan 8.240 nan 0.000 0.499 103 H N 0.676 119.755 119.070 0.014 0.000 2.465 103 H HA 0.105 4.661 4.556 -0.000 0.000 0.289 103 H C 1.402 176.741 175.328 0.018 0.000 1.022 103 H CA 0.618 56.676 56.048 0.017 0.000 1.340 103 H CB -0.190 29.581 29.762 0.015 0.000 1.437 103 H HN 0.288 nan 8.280 nan 0.000 0.539 104 D N 0.311 120.774 120.400 0.106 0.000 2.390 104 D HA -0.021 4.619 4.640 -0.000 0.000 0.235 104 D C 1.076 177.404 176.300 0.046 0.000 1.040 104 D CA 0.513 54.554 54.000 0.069 0.000 0.923 104 D CB 0.276 41.105 40.800 0.049 0.000 0.886 104 D HN 0.213 nan 8.370 nan 0.000 0.532 105 S N -1.765 113.956 115.700 0.034 0.000 2.882 105 S HA -0.030 4.440 4.470 -0.000 0.000 0.258 105 S C 1.588 176.215 174.600 0.045 0.000 1.081 105 S CA -0.238 57.973 58.200 0.018 0.000 0.886 105 S CB 0.346 63.520 63.200 -0.042 0.000 0.855 105 S HN 0.111 nan 8.310 nan 0.000 0.467 106 S N 1.779 117.502 115.700 0.037 0.000 2.500 106 S HA 0.008 4.478 4.470 -0.000 0.000 0.239 106 S C 1.502 176.173 174.600 0.119 0.000 0.989 106 S CA 1.284 59.526 58.200 0.070 0.000 0.951 106 S CB -0.470 62.770 63.200 0.066 0.000 0.759 106 S HN 0.619 nan 8.310 nan 0.000 0.523 107 I N -2.468 118.172 120.570 0.116 0.000 3.518 107 I HA 0.356 4.526 4.170 -0.000 0.000 0.260 107 I C 2.151 178.332 176.117 0.107 0.000 1.148 107 I CA -0.195 61.164 61.300 0.099 0.000 1.440 107 I CB -0.868 37.174 38.000 0.070 0.000 1.485 107 I HN 0.009 nan 8.210 nan 0.000 0.456 108 R N 0.456 121.015 120.500 0.099 0.000 2.227 108 R HA -0.326 4.014 4.340 -0.000 0.000 0.259 108 R C 2.373 178.767 176.300 0.157 0.000 1.139 108 R CA 2.885 59.046 56.100 0.102 0.000 0.969 108 R CB -0.821 29.535 30.300 0.092 0.000 0.903 108 R HN 0.536 nan 8.270 nan 0.000 0.452 109 Y N 0.931 121.245 120.300 0.022 0.000 2.084 109 Y HA -0.163 4.387 4.550 -0.000 0.000 0.279 109 Y C 2.269 178.192 175.900 0.038 0.000 1.119 109 Y CA 1.964 60.079 58.100 0.026 0.000 1.101 109 Y CB -0.691 37.783 38.460 0.022 0.000 0.989 109 Y HN 0.026 nan 8.280 nan 0.000 0.484 110 L N 0.135 121.442 121.223 0.140 0.000 2.010 110 L HA -0.351 3.989 4.340 -0.000 0.000 0.219 110 L C 2.255 179.147 176.870 0.037 0.000 1.077 110 L CA 2.259 57.131 54.840 0.052 0.000 0.773 110 L CB -1.292 40.820 42.059 0.088 0.000 0.892 110 L HN 0.352 nan 8.230 nan 0.000 0.436 111 Q N 0.173 119.992 119.800 0.031 0.000 2.624 111 Q HA -0.214 4.126 4.340 -0.000 0.000 0.219 111 Q C 1.421 177.436 176.000 0.025 0.000 0.973 111 Q CA 1.038 56.841 55.803 -0.000 0.000 0.983 111 Q CB 0.208 28.935 28.738 -0.018 0.000 0.992 111 Q HN 0.532 nan 8.270 nan 0.000 0.574 112 E N -0.774 119.428 120.200 0.003 0.000 2.713 112 E HA 0.018 4.368 4.350 -0.000 0.000 0.201 112 E C 1.160 177.726 176.600 -0.057 0.000 0.935 112 E CA 0.307 56.685 56.400 -0.038 0.000 1.273 112 E CB -0.403 29.231 29.700 -0.109 0.000 1.221 112 E HN 0.316 nan 8.360 nan 0.000 0.547 113 I N 1.327 121.814 120.570 -0.137 0.000 2.423 113 I HA -0.151 4.019 4.170 -0.000 0.000 0.254 113 I C 2.073 178.177 176.117 -0.022 0.000 1.151 113 I CA 1.152 62.378 61.300 -0.123 0.000 1.421 113 I CB -0.679 37.227 38.000 -0.157 0.000 1.079 113 I HN 0.262 nan 8.210 nan 0.000 0.431 114 Y N 1.449 121.702 120.300 -0.078 0.000 2.092 114 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 114 Y C 2.363 178.237 175.900 -0.042 0.000 1.126 114 Y CA 1.903 59.976 58.100 -0.046 0.000 1.111 114 Y CB -0.393 38.048 38.460 -0.031 0.000 0.987 114 Y HN 0.157 nan 8.280 nan 0.000 0.489 115 N N -0.055 118.791 118.700 0.244 0.000 2.651 115 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 115 N C 1.415 176.934 175.510 0.015 0.000 1.149 115 N CA 1.096 54.229 53.050 0.138 0.000 0.933 115 N CB -0.177 38.376 38.487 0.111 0.000 0.974 115 N HN 0.538 nan 8.380 nan 0.000 0.448 116 S N -1.550 114.130 115.700 -0.033 0.000 2.444 116 S HA 0.083 4.552 4.470 -0.000 0.000 0.223 116 S C 1.546 176.099 174.600 -0.079 0.000 1.054 116 S CA 0.148 58.316 58.200 -0.052 0.000 0.947 116 S CB -0.501 62.663 63.200 -0.061 0.000 0.850 116 S HN 0.342 nan 8.310 nan 0.000 0.527 117 N N 3.008 121.636 118.700 -0.120 0.000 2.005 117 N HA -0.157 4.583 4.740 -0.000 0.000 0.199 117 N C 1.072 176.501 175.510 -0.135 0.000 1.054 117 N CA 1.618 54.586 53.050 -0.136 0.000 0.864 117 N CB -0.592 37.779 38.487 -0.193 0.000 1.063 117 N HN 0.344 nan 8.380 nan 0.000 0.428 118 N N 0.806 119.388 118.700 -0.197 0.000 2.580 118 N HA -0.195 4.545 4.740 -0.000 0.000 0.193 118 N C 1.406 176.874 175.510 -0.071 0.000 1.075 118 N CA 0.800 53.763 53.050 -0.145 0.000 0.921 118 N CB -0.149 38.237 38.487 -0.169 0.000 0.950 118 N HN 0.510 nan 8.380 nan 0.000 0.449 119 Q N 0.221 119.984 119.800 -0.062 0.000 2.387 119 Q HA 0.102 4.442 4.340 -0.000 0.000 0.208 119 Q C 1.287 177.266 176.000 -0.036 0.000 0.935 119 Q CA 0.260 56.042 55.803 -0.035 0.000 0.891 119 Q CB 0.241 28.963 28.738 -0.025 0.000 1.007 119 Q HN 0.140 nan 8.270 nan 0.000 0.548 120 K N 0.365 120.739 120.400 -0.044 0.000 2.147 120 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 120 K C 1.937 178.514 176.600 -0.037 0.000 1.049 120 K CA 0.986 57.250 56.287 -0.038 0.000 0.936 120 K CB -0.039 32.436 32.500 -0.041 0.000 0.722 120 K HN 0.170 nan 8.250 nan 0.000 0.446 121 I N 0.822 121.364 120.570 -0.047 0.000 2.208 121 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 121 I C 1.945 178.043 176.117 -0.032 0.000 1.097 121 I CA 1.181 62.455 61.300 -0.043 0.000 1.363 121 I CB -0.215 37.751 38.000 -0.056 0.000 1.051 121 I HN -0.116 nan 8.210 nan 0.000 0.413 122 V N 1.260 121.157 119.914 -0.028 0.000 2.688 122 V HA -0.284 3.836 4.120 -0.000 0.000 0.256 122 V C 2.065 178.149 176.094 -0.017 0.000 1.084 122 V CA 1.732 64.020 62.300 -0.020 0.000 1.103 122 V CB -1.031 30.783 31.823 -0.016 0.000 0.688 122 V HN 0.498 nan 8.190 nan 0.000 0.480 123 N N 0.011 118.700 118.700 -0.020 0.000 2.251 123 N HA -0.018 4.722 4.740 -0.000 0.000 0.181 123 N C 1.583 177.083 175.510 -0.017 0.000 1.019 123 N CA 0.914 53.954 53.050 -0.017 0.000 0.862 123 N CB -0.138 38.339 38.487 -0.018 0.000 0.992 123 N HN 0.338 nan 8.380 nan 0.000 0.429 124 L N 1.011 122.222 121.223 -0.020 0.000 2.291 124 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 124 L C 1.324 178.184 176.870 -0.017 0.000 1.120 124 L CA 1.084 55.913 54.840 -0.019 0.000 0.799 124 L CB -0.420 41.626 42.059 -0.022 0.000 0.925 124 L HN -0.133 nan 8.230 nan 0.000 0.446 125 K N 0.061 120.451 120.400 -0.017 0.000 2.968 125 K HA 0.082 4.402 4.320 -0.000 0.000 0.249 125 K C 0.741 177.334 176.600 -0.012 0.000 1.062 125 K CA 0.362 56.641 56.287 -0.014 0.000 1.215 125 K CB -0.326 32.165 32.500 -0.014 0.000 1.097 125 K HN 0.265 nan 8.250 nan 0.000 0.462 126 E N -1.604 118.589 120.200 -0.012 0.000 2.058 126 E HA 0.021 4.371 4.350 -0.000 0.000 0.189 126 E C -0.128 176.466 176.600 -0.010 0.000 0.942 126 E CA 0.102 56.496 56.400 -0.010 0.000 1.323 126 E CB 0.358 30.052 29.700 -0.009 0.000 3.151 126 E HN 0.008 nan 8.360 nan 0.000 0.878 127 K N 1.135 121.528 120.400 -0.011 0.000 2.675 127 K HA 0.247 4.567 4.320 -0.000 0.000 0.213 127 K C 0.521 177.114 176.600 -0.011 0.000 1.074 127 K CA 0.033 56.314 56.287 -0.011 0.000 1.172 127 K CB 1.247 33.739 32.500 -0.012 0.000 0.927 127 K HN -0.107 nan 8.250 nan 0.000 0.471 128 V N -1.990 117.918 119.914 -0.011 0.000 3.163 128 V HA -0.015 4.105 4.120 -0.000 0.000 0.217 128 V C 1.687 177.775 176.094 -0.010 0.000 1.540 128 V CA 0.680 62.973 62.300 -0.011 0.000 1.205 128 V CB 0.119 31.935 31.823 -0.012 0.000 1.110 128 V HN 0.255 nan 8.190 nan 0.000 0.482 129 A N 0.305 123.119 122.820 -0.009 0.000 1.896 129 A HA -0.369 3.951 4.320 -0.000 0.000 0.220 129 A C 1.966 179.546 177.584 -0.008 0.000 1.206 129 A CA 2.820 54.852 52.037 -0.008 0.000 0.647 129 A CB -0.646 18.349 19.000 -0.008 0.000 0.828 129 A HN 0.651 nan 8.150 nan 0.000 0.455 130 Q N -1.040 118.755 119.800 -0.008 0.000 2.170 130 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 130 Q C 2.149 178.144 176.000 -0.008 0.000 0.976 130 Q CA 1.283 57.082 55.803 -0.008 0.000 0.858 130 Q CB -0.305 28.429 28.738 -0.008 0.000 0.907 130 Q HN 0.786 nan 8.270 nan 0.000 0.433 131 L N 0.523 121.741 121.223 -0.008 0.000 2.027 131 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 131 L C 2.293 179.158 176.870 -0.008 0.000 1.074 131 L CA 1.559 56.394 54.840 -0.009 0.000 0.745 131 L CB -0.182 41.871 42.059 -0.009 0.000 0.898 131 L HN 0.191 nan 8.230 nan 0.000 0.433 132 E N -0.189 120.006 120.200 -0.008 0.000 2.130 132 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 132 E C 2.042 178.638 176.600 -0.007 0.000 0.998 132 E CA 1.282 57.678 56.400 -0.008 0.000 0.806 132 E CB -0.130 29.565 29.700 -0.007 0.000 0.738 132 E HN 0.704 nan 8.360 nan 0.000 0.459 133 A N 0.794 123.610 122.820 -0.007 0.000 1.930 133 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 133 A C 2.051 179.630 177.584 -0.008 0.000 1.175 133 A CA 1.612 53.645 52.037 -0.007 0.000 0.627 133 A CB -0.550 18.446 19.000 -0.007 0.000 0.815 133 A HN 0.349 nan 8.150 nan 0.000 0.443 134 Q N -0.583 119.212 119.800 -0.008 0.000 2.364 134 Q HA -0.125 4.215 4.340 -0.000 0.000 0.209 134 Q C 0.889 176.883 176.000 -0.009 0.000 0.977 134 Q CA 1.988 57.786 55.803 -0.009 0.000 0.885 134 Q CB -0.710 28.023 28.738 -0.009 0.000 0.941 134 Q HN 0.512 nan 8.270 nan 0.000 0.464 135 C N 1.375 120.670 119.300 -0.009 0.000 2.548 135 C HA 0.352 4.812 4.460 -0.000 0.000 0.297 135 C C 0.491 175.476 174.990 -0.008 0.000 1.422 135 C CA -0.703 58.310 59.018 -0.009 0.000 1.785 135 C CB -0.394 27.341 27.740 -0.008 0.000 2.593 135 C HN 0.410 nan 8.230 nan 0.000 0.545 136 Q N 1.211 121.006 119.800 -0.008 0.000 2.222 136 Q HA 0.218 4.558 4.340 -0.000 0.000 0.206 136 Q C 0.402 176.397 176.000 -0.009 0.000 0.877 136 Q CA 0.697 56.495 55.803 -0.008 0.000 0.958 136 Q CB 0.410 29.144 28.738 -0.007 0.000 1.075 136 Q HN 0.684 nan 8.270 nan 0.000 0.483 137 E N 0.581 120.776 120.200 -0.010 0.000 2.431 137 E HA 0.555 4.905 4.350 -0.000 0.000 0.268 137 E C -2.065 174.528 176.600 -0.011 0.000 0.953 137 E CA -1.627 54.767 56.400 -0.011 0.000 0.810 137 E CB 0.553 30.246 29.700 -0.012 0.000 1.369 137 E HN -0.036 nan 8.360 nan 0.000 0.440 138 P HA 0.452 nan 4.420 nan 0.000 0.307 138 P C -0.365 176.926 177.300 -0.016 0.000 1.307 138 P CA -0.459 62.633 63.100 -0.013 0.000 0.814 138 P CB 0.682 32.374 31.700 -0.013 0.000 1.311 139 C N 0.055 119.345 119.300 -0.017 0.000 2.689 139 C HA 0.248 4.708 4.460 -0.000 0.000 0.409 139 C C 0.885 175.861 174.990 -0.023 0.000 1.293 139 C CA 0.115 59.121 59.018 -0.019 0.000 2.136 139 C CB -0.766 26.963 27.740 -0.019 0.000 2.719 139 C HN 0.494 nan 8.230 nan 0.000 0.644 140 K N 1.825 122.210 120.400 -0.025 0.000 2.205 140 K HA 0.325 4.645 4.320 -0.000 0.000 0.279 140 K C -0.700 175.880 176.600 -0.034 0.000 1.027 140 K CA 0.204 56.474 56.287 -0.029 0.000 0.932 140 K CB 0.472 32.955 32.500 -0.029 0.000 1.032 140 K HN 0.668 nan 8.250 nan 0.000 0.466 141 D N 1.556 121.932 120.400 -0.039 0.000 2.217 141 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 141 D C 0.698 176.966 176.300 -0.054 0.000 1.054 141 D CA -0.315 53.658 54.000 -0.045 0.000 0.838 141 D CB 1.431 42.205 40.800 -0.044 0.000 1.162 141 D HN 0.655 nan 8.370 nan 0.000 0.472 142 T N 0.376 114.897 114.554 -0.056 0.000 2.668 142 T HA -0.092 4.258 4.350 -0.000 0.000 0.262 142 T C 1.282 175.938 174.700 -0.074 0.000 1.045 142 T CA 0.945 63.009 62.100 -0.061 0.000 1.152 142 T CB -0.737 68.098 68.868 -0.056 0.000 0.864 142 T HN 0.332 nan 8.240 nan 0.000 0.419 143 V N 0.673 120.542 119.914 -0.076 0.000 2.814 143 V HA 0.367 4.487 4.120 -0.000 0.000 0.307 143 V C -0.473 175.557 176.094 -0.106 0.000 1.089 143 V CA -0.416 61.833 62.300 -0.086 0.000 1.212 143 V CB -0.039 31.734 31.823 -0.084 0.000 0.912 143 V HN 0.687 nan 8.190 nan 0.000 0.497 144 Q N 3.172 122.889 119.800 -0.139 0.000 2.386 144 Q HA 0.445 4.785 4.340 -0.000 0.000 0.274 144 Q C -1.507 174.335 176.000 -0.265 0.000 1.011 144 Q CA -0.743 54.941 55.803 -0.198 0.000 0.867 144 Q CB 2.369 30.965 28.738 -0.236 0.000 1.409 144 Q HN 0.952 nan 8.270 nan 0.000 0.395 145 I N -0.395 120.011 120.570 -0.274 0.000 2.365 145 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 145 I C -0.043 175.882 176.117 -0.320 0.000 1.004 145 I CA -0.303 60.797 61.300 -0.332 0.000 1.311 145 I CB 0.153 37.858 38.000 -0.493 0.000 1.401 145 I HN 0.374 nan 8.210 nan 0.000 0.491 146 H N 3.123 121.892 119.070 -0.502 0.000 2.546 146 H HA 0.309 4.865 4.556 -0.000 0.000 0.365 146 H C 0.324 175.539 175.328 -0.188 0.000 1.220 146 H CA -0.397 55.432 56.048 -0.366 0.000 1.386 146 H CB 0.475 29.903 29.762 -0.556 0.000 1.510 146 H HN 0.560 nan 8.280 nan 0.000 0.591 147 D N 0.555 120.983 120.400 0.047 0.000 2.091 147 D HA -0.040 4.600 4.640 -0.000 0.000 0.199 147 D C 0.534 176.898 176.300 0.106 0.000 0.980 147 D CA 0.839 54.876 54.000 0.062 0.000 0.831 147 D CB -0.358 40.468 40.800 0.044 0.000 0.987 147 D HN 0.438 nan 8.370 nan 0.000 0.460 148 I N 0.256 120.909 120.570 0.139 0.000 2.692 148 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 148 I C 0.558 176.772 176.117 0.161 0.000 1.159 148 I CA -0.863 60.516 61.300 0.133 0.000 1.423 148 I CB -0.001 38.068 38.000 0.115 0.000 1.380 148 I HN -0.052 nan 8.210 nan 0.000 0.580 149 T N 1.289 115.906 114.554 0.106 0.000 2.889 149 T HA 0.907 5.257 4.350 -0.000 0.000 0.315 149 T C -0.368 174.359 174.700 0.045 0.000 1.291 149 T CA -0.139 62.016 62.100 0.091 0.000 1.028 149 T CB 1.440 70.389 68.868 0.135 0.000 1.235 149 T HN 1.289 nan 8.240 nan 0.000 0.491 150 G N 1.040 109.850 108.800 0.018 0.000 2.694 150 G HA2 0.408 4.368 3.960 -0.000 0.000 0.246 150 G HA3 0.408 4.368 3.960 -0.000 0.000 0.246 150 G C 0.068 174.970 174.900 0.004 0.000 1.205 150 G CA -0.499 44.606 45.100 0.008 0.000 0.891 150 G HN 0.757 nan 8.290 nan 0.000 0.515 151 K N 0.107 120.510 120.400 0.004 0.000 1.970 151 K HA -0.028 4.292 4.320 -0.000 0.000 0.225 151 K C 0.704 177.312 176.600 0.014 0.000 1.045 151 K CA 2.133 58.430 56.287 0.017 0.000 1.002 151 K CB -0.327 32.189 32.500 0.027 0.000 0.743 151 K HN 0.712 nan 8.250 nan 0.000 0.445 152 D N -1.897 118.508 120.400 0.009 0.000 2.714 152 D HA 0.095 4.735 4.640 -0.000 0.000 0.278 152 D C 0.856 177.117 176.300 -0.064 0.000 1.102 152 D CA -0.648 53.355 54.000 0.004 0.000 1.108 152 D CB 0.950 41.813 40.800 0.105 0.000 1.444 152 D HN 0.087 nan 8.370 nan 0.000 0.568 153 c N -0.524 118.023 118.600 -0.088 0.000 2.398 153 c HA -0.168 4.402 4.570 -0.000 0.000 0.279 153 c C 2.560 176.539 174.090 -0.185 0.000 1.250 153 c CA 1.431 57.644 56.329 -0.194 0.000 1.786 153 c CB -1.265 41.152 42.510 -0.155 0.000 2.018 153 c HN 0.664 nan 8.230 nan 0.000 0.494 154 Q N 0.962 120.693 119.800 -0.114 0.000 2.172 154 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 154 Q C 1.545 177.474 176.000 -0.118 0.000 0.964 154 Q CA 2.017 57.740 55.803 -0.135 0.000 0.855 154 Q CB -0.375 28.273 28.738 -0.149 0.000 0.918 154 Q HN 0.729 nan 8.270 nan 0.000 0.444 155 D N -0.736 119.611 120.400 -0.089 0.000 2.077 155 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 155 D C 1.647 177.896 176.300 -0.086 0.000 0.986 155 D CA 1.646 55.604 54.000 -0.070 0.000 0.829 155 D CB -0.068 40.709 40.800 -0.038 0.000 0.983 155 D HN 0.370 nan 8.370 nan 0.000 0.453 156 I N 0.733 121.233 120.570 -0.117 0.000 2.208 156 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 156 I C 2.251 178.276 176.117 -0.153 0.000 1.097 156 I CA 1.060 62.280 61.300 -0.133 0.000 1.363 156 I CB -0.497 37.374 38.000 -0.215 0.000 1.051 156 I HN 0.034 nan 8.210 nan 0.000 0.413 157 A N 0.540 123.237 122.820 -0.205 0.000 2.277 157 A HA -0.101 4.219 4.320 -0.000 0.000 0.208 157 A C 1.125 178.647 177.584 -0.103 0.000 1.202 157 A CA 1.245 53.181 52.037 -0.168 0.000 0.762 157 A CB -0.598 18.296 19.000 -0.176 0.000 0.770 157 A HN 0.512 nan 8.150 nan 0.000 0.487 158 N N -1.171 117.477 118.700 -0.087 0.000 2.387 158 N HA 0.132 4.872 4.740 -0.000 0.000 0.259 158 N C 0.178 175.662 175.510 -0.043 0.000 1.369 158 N CA 0.063 53.075 53.050 -0.063 0.000 0.867 158 N CB 0.753 39.197 38.487 -0.071 0.000 1.341 158 N HN 0.527 nan 8.380 nan 0.000 0.495 159 K N -0.832 119.547 120.400 -0.035 0.000 2.450 159 K HA 0.382 4.702 4.320 -0.000 0.000 0.206 159 K C 0.970 177.569 176.600 -0.001 0.000 1.148 159 K CA 0.207 56.485 56.287 -0.015 0.000 1.014 159 K CB 2.067 34.562 32.500 -0.009 0.000 0.966 159 K HN 0.126 nan 8.250 nan 0.000 0.566 160 G N 1.118 109.917 108.800 -0.003 0.000 2.401 160 G HA2 0.355 4.315 3.960 -0.000 0.000 0.068 160 G HA3 0.355 4.315 3.960 -0.000 0.000 0.068 160 G C -1.029 173.880 174.900 0.015 0.000 0.911 160 G CA -0.059 45.050 45.100 0.015 0.000 1.242 160 G HN 0.313 nan 8.290 nan 0.000 0.504 161 A N -0.886 121.964 122.820 0.050 0.000 6.759 161 A HA 0.308 4.628 4.320 -0.000 0.000 0.308 161 A C 0.775 178.385 177.584 0.045 0.000 2.086 161 A CA 2.554 54.628 52.037 0.063 0.000 1.123 161 A CB -0.997 17.986 19.000 -0.029 0.000 1.078 161 A HN 2.530 nan 8.150 nan 0.000 0.457 162 K N -2.332 118.103 120.400 0.058 0.000 1.223 162 K HA 0.015 4.335 4.320 -0.000 0.000 0.086 162 K C -0.440 176.203 176.600 0.073 0.000 2.287 162 K CA 1.035 57.351 56.287 0.048 0.000 0.941 162 K CB -0.371 32.156 32.500 0.044 0.000 2.528 162 K HN 0.752 nan 8.250 nan 0.000 0.317 163 Q N 1.750 121.621 119.800 0.119 0.000 2.466 163 Q HA 0.242 4.582 4.340 -0.000 0.000 0.242 163 Q C -0.856 175.235 176.000 0.152 0.000 1.046 163 Q CA -0.011 55.878 55.803 0.143 0.000 0.841 163 Q CB 1.488 30.352 28.738 0.210 0.000 1.193 163 Q HN 0.347 nan 8.270 nan 0.000 0.508 164 S N 0.945 116.710 115.700 0.109 0.000 2.945 164 S HA 0.206 4.676 4.470 -0.000 0.000 0.344 164 S C 0.528 175.238 174.600 0.184 0.000 1.066 164 S CA 0.237 58.495 58.200 0.097 0.000 1.721 164 S CB -0.302 62.939 63.200 0.069 0.000 1.330 164 S HN 0.584 nan 8.310 nan 0.000 0.623 165 G N 1.944 110.885 108.800 0.235 0.000 3.166 165 G HA2 0.631 4.591 3.960 -0.000 0.000 0.267 165 G HA3 0.631 4.591 3.960 -0.000 0.000 0.267 165 G C -1.012 174.018 174.900 0.217 0.000 1.256 165 G CA -1.281 43.919 45.100 0.166 0.000 0.859 165 G HN 0.625 nan 8.290 nan 0.000 0.590 166 L N 0.441 121.624 121.223 -0.066 0.000 2.296 166 L HA 0.619 4.959 4.340 -0.000 0.000 0.286 166 L C -1.422 175.287 176.870 -0.269 0.000 1.023 166 L CA -0.802 54.029 54.840 -0.015 0.000 0.812 166 L CB 1.235 43.261 42.059 -0.055 0.000 1.223 166 L HN 0.379 nan 8.230 nan 0.000 0.421 167 Y N 1.336 121.501 120.300 -0.225 0.000 2.492 167 Y HA 0.483 5.033 4.550 -0.000 0.000 0.346 167 Y C -0.362 175.412 175.900 -0.210 0.000 0.997 167 Y CA -1.652 56.295 58.100 -0.254 0.000 1.025 167 Y CB 1.230 39.576 38.460 -0.189 0.000 1.263 167 Y HN 0.244 nan 8.280 nan 0.000 0.454 168 F N 4.154 124.141 119.950 0.061 0.000 2.502 168 F HA 0.334 4.861 4.527 -0.000 0.000 0.371 168 F C 0.343 176.105 175.800 -0.062 0.000 1.083 168 F CA -0.956 57.022 58.000 -0.036 0.000 1.174 168 F CB -0.167 38.831 39.000 -0.004 0.000 1.096 168 F HN 0.312 nan 8.300 nan 0.000 0.545 169 I N 0.596 121.166 120.570 0.000 0.000 2.530 169 I HA 0.574 4.744 4.170 -0.000 0.000 0.297 169 I C -0.663 175.429 176.117 -0.041 0.000 1.011 169 I CA -1.026 60.240 61.300 -0.057 0.000 1.107 169 I CB 2.099 40.009 38.000 -0.150 0.000 1.285 169 I HN 0.498 nan 8.210 nan 0.000 0.436 170 K N 5.684 126.096 120.400 0.020 0.000 2.753 170 K HA 0.532 4.852 4.320 -0.000 0.000 0.185 170 K C -2.627 174.007 176.600 0.057 0.000 1.071 170 K CA -1.593 54.728 56.287 0.058 0.000 0.999 170 K CB 0.730 33.262 32.500 0.052 0.000 1.244 170 K HN 0.447 nan 8.250 nan 0.000 0.594 171 P HA -0.191 nan 4.420 nan 0.000 0.266 171 P C 0.652 177.977 177.300 0.041 0.000 1.162 171 P CA -0.043 63.087 63.100 0.051 0.000 0.758 171 P CB 0.474 32.209 31.700 0.058 0.000 0.774 172 L N 2.619 123.861 121.223 0.032 0.000 2.012 172 L HA -0.255 4.085 4.340 -0.000 0.000 0.236 172 L C 1.582 178.471 176.870 0.031 0.000 1.099 172 L CA 2.177 57.035 54.840 0.031 0.000 0.821 172 L CB -1.479 40.598 42.059 0.030 0.000 0.918 172 L HN 0.510 nan 8.230 nan 0.000 0.445 173 K N -0.681 119.735 120.400 0.026 0.000 2.997 173 K HA 0.612 4.932 4.320 -0.000 0.000 0.249 173 K C -0.111 176.515 176.600 0.043 0.000 1.284 173 K CA 0.062 56.369 56.287 0.033 0.000 1.245 173 K CB 0.283 32.800 32.500 0.029 0.000 1.670 173 K HN 0.198 nan 8.250 nan 0.000 0.385 174 A N 0.896 123.749 122.820 0.054 0.000 2.468 174 A HA 0.560 4.880 4.320 -0.000 0.000 0.270 174 A C -0.706 176.927 177.584 0.081 0.000 1.217 174 A CA -0.682 51.402 52.037 0.078 0.000 0.908 174 A CB 1.039 20.099 19.000 0.101 0.000 1.423 174 A HN 0.403 nan 8.150 nan 0.000 0.459 175 N N -1.711 117.051 118.700 0.103 0.000 3.464 175 N HA 0.245 4.985 4.740 -0.000 0.000 0.335 175 N C -1.036 174.534 175.510 0.099 0.000 1.489 175 N CA -0.469 52.634 53.050 0.088 0.000 0.652 175 N CB 0.253 38.790 38.487 0.082 0.000 2.334 175 N HN 0.505 nan 8.380 nan 0.000 0.560 176 Q N 1.632 121.485 119.800 0.089 0.000 2.549 176 Q HA -0.124 4.216 4.340 -0.000 0.000 0.347 176 Q C -0.379 175.702 176.000 0.135 0.000 1.081 176 Q CA 0.602 56.451 55.803 0.077 0.000 1.093 176 Q CB -0.505 28.279 28.738 0.077 0.000 1.067 176 Q HN 0.503 nan 8.270 nan 0.000 0.398 177 Q N 2.507 122.332 119.800 0.042 0.000 3.107 177 Q HA 0.137 4.477 4.340 -0.000 0.000 0.268 177 Q C -0.061 175.977 176.000 0.063 0.000 1.382 177 Q CA -0.327 55.500 55.803 0.040 0.000 0.927 177 Q CB -1.054 27.673 28.738 -0.019 0.000 1.755 177 Q HN 0.414 nan 8.270 nan 0.000 0.545 178 F N -0.157 119.838 119.950 0.075 0.000 2.646 178 F HA 0.162 4.689 4.527 -0.000 0.000 0.321 178 F C -0.363 175.590 175.800 0.255 0.000 1.241 178 F CA -1.162 56.913 58.000 0.126 0.000 1.365 178 F CB 0.237 39.293 39.000 0.094 0.000 1.143 178 F HN 0.248 nan 8.300 nan 0.000 0.601 179 L N 2.585 123.931 121.223 0.204 0.000 2.282 179 L HA 0.587 4.927 4.340 -0.000 0.000 0.288 179 L C -0.646 176.208 176.870 -0.027 0.000 1.033 179 L CA -0.742 54.143 54.840 0.074 0.000 0.807 179 L CB 1.255 43.425 42.059 0.186 0.000 1.209 179 L HN 0.748 nan 8.230 nan 0.000 0.423 180 V N 2.368 122.204 119.914 -0.130 0.000 2.667 180 V HA 0.457 4.577 4.120 -0.000 0.000 0.308 180 V C -0.915 175.248 176.094 0.115 0.000 1.048 180 V CA -0.817 61.488 62.300 0.009 0.000 0.928 180 V CB 1.445 33.210 31.823 -0.096 0.000 1.004 180 V HN 0.688 nan 8.190 nan 0.000 0.444 181 Y N 4.121 124.454 120.300 0.056 0.000 2.880 181 Y HA 0.600 5.150 4.550 -0.000 0.000 0.329 181 Y C 0.426 176.405 175.900 0.132 0.000 1.156 181 Y CA -1.393 56.741 58.100 0.057 0.000 1.348 181 Y CB -0.526 37.925 38.460 -0.015 0.000 1.280 181 Y HN 0.932 nan 8.280 nan 0.000 0.516 182 c N 2.906 121.417 118.600 -0.149 0.000 2.779 182 c HA 0.214 4.784 4.570 -0.000 0.000 0.334 182 c C 0.436 174.264 174.090 -0.437 0.000 1.406 182 c CA -0.194 55.980 56.329 -0.258 0.000 2.281 182 c CB 0.038 42.399 42.510 -0.248 0.000 2.437 182 c HN 0.842 nan 8.230 nan 0.000 0.748 183 E N 0.108 120.182 120.200 -0.211 0.000 2.640 183 E HA 0.417 4.767 4.350 -0.000 0.000 0.360 183 E C -1.394 175.245 176.600 0.066 0.000 1.014 183 E CA -0.119 56.197 56.400 -0.140 0.000 0.757 183 E CB 0.269 29.809 29.700 -0.266 0.000 1.565 183 E HN 0.582 nan 8.360 nan 0.000 0.381 184 I N 3.082 123.674 120.570 0.037 0.000 2.566 184 I HA 0.324 4.494 4.170 -0.000 0.000 0.303 184 I C 0.535 176.706 176.117 0.089 0.000 0.983 184 I CA -0.570 60.773 61.300 0.071 0.000 1.235 184 I CB 1.060 39.060 38.000 0.000 0.000 1.386 184 I HN 0.560 nan 8.210 nan 0.000 0.494 185 D N 2.495 122.960 120.400 0.107 0.000 2.509 185 D HA 0.336 4.976 4.640 -0.000 0.000 0.275 185 D C 0.973 177.299 176.300 0.044 0.000 1.189 185 D CA -0.426 53.628 54.000 0.090 0.000 1.098 185 D CB 0.193 41.074 40.800 0.136 0.000 1.177 185 D HN 0.532 nan 8.370 nan 0.000 0.599 186 G N -1.524 107.297 108.800 0.033 0.000 2.850 186 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.211 186 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.211 186 G C 1.352 176.254 174.900 0.004 0.000 1.124 186 G CA 0.468 45.577 45.100 0.016 0.000 0.769 186 G HN 0.388 nan 8.290 nan 0.000 0.535 187 S N 0.112 115.813 115.700 0.003 0.000 2.336 187 S HA 0.289 4.759 4.470 -0.000 0.000 0.214 187 S C 1.739 176.319 174.600 -0.034 0.000 1.032 187 S CA 2.122 60.311 58.200 -0.018 0.000 1.001 187 S CB -0.274 62.911 63.200 -0.025 0.000 0.953 187 S HN 1.186 nan 8.310 nan 0.000 0.430 188 G N 0.922 109.696 108.800 -0.044 0.000 3.034 188 G HA2 0.024 3.984 3.960 -0.000 0.000 0.222 188 G HA3 0.024 3.984 3.960 -0.000 0.000 0.222 188 G C -1.027 173.815 174.900 -0.097 0.000 0.980 188 G CA -0.608 44.456 45.100 -0.061 0.000 1.008 188 G HN 0.405 nan 8.290 nan 0.000 0.632 189 N N 0.610 119.244 118.700 -0.111 0.000 2.407 189 N HA 0.604 5.344 4.740 -0.000 0.000 0.277 189 N C 0.222 175.621 175.510 -0.184 0.000 0.995 189 N CA 0.176 53.105 53.050 -0.203 0.000 0.903 189 N CB 1.918 40.221 38.487 -0.307 0.000 1.218 189 N HN 0.351 nan 8.380 nan 0.000 0.487 190 G N 1.230 109.913 108.800 -0.195 0.000 2.404 190 G HA2 0.357 4.317 3.960 -0.000 0.000 0.316 190 G HA3 0.357 4.317 3.960 -0.000 0.000 0.316 190 G C -0.460 174.379 174.900 -0.102 0.000 1.074 190 G CA -0.506 44.520 45.100 -0.124 0.000 0.989 190 G HN 0.389 nan 8.290 nan 0.000 0.430 191 W N 0.820 122.046 121.300 -0.123 0.000 1.738 191 W HA 0.654 5.314 4.660 -0.000 0.000 0.433 191 W C 0.889 177.344 176.519 -0.106 0.000 1.942 191 W CA 0.232 57.521 57.345 -0.094 0.000 2.155 191 W CB 0.621 30.023 29.460 -0.096 0.000 1.489 191 W HN 0.601 nan 8.180 nan 0.000 0.768 192 T N -1.756 112.951 114.554 0.254 0.000 4.045 192 T HA 0.318 4.668 4.350 -0.000 0.000 0.399 192 T C -0.885 173.932 174.700 0.196 0.000 1.270 192 T CA -0.826 61.350 62.100 0.126 0.000 1.126 192 T CB -0.286 68.658 68.868 0.127 0.000 1.272 192 T HN 0.210 nan 8.240 nan 0.000 0.472 193 V N 4.523 124.541 119.914 0.173 0.000 3.857 193 V HA 0.572 4.692 4.120 -0.000 0.000 0.275 193 V C 1.279 177.537 176.094 0.273 0.000 0.992 193 V CA 0.942 63.353 62.300 0.185 0.000 0.998 193 V CB 0.353 32.294 31.823 0.197 0.000 1.234 193 V HN 1.094 nan 8.190 nan 0.000 0.438 194 F N -2.551 117.241 119.950 -0.262 0.000 3.250 194 F HA 0.452 4.979 4.527 -0.000 0.000 0.380 194 F C -0.286 175.061 175.800 -0.754 0.000 1.184 194 F CA -0.307 57.450 58.000 -0.404 0.000 0.890 194 F CB 0.254 39.069 39.000 -0.309 0.000 1.634 194 F HN 0.413 nan 8.300 nan 0.000 0.499 195 Q N 2.389 121.531 119.800 -1.097 0.000 2.518 195 Q HA 0.382 4.722 4.340 -0.000 0.000 0.254 195 Q C -2.197 173.448 176.000 -0.590 0.000 0.962 195 Q CA -0.178 55.136 55.803 -0.814 0.000 0.982 195 Q CB 2.623 31.043 28.738 -0.530 0.000 1.516 195 Q HN 0.548 nan 8.270 nan 0.000 0.426 196 K N 2.492 122.675 120.400 -0.362 0.000 2.532 196 K HA 0.696 5.016 4.320 -0.000 0.000 0.265 196 K C -1.313 175.269 176.600 -0.031 0.000 0.948 196 K CA -0.577 55.617 56.287 -0.156 0.000 0.842 196 K CB 1.512 33.990 32.500 -0.037 0.000 1.392 196 K HN 0.607 nan 8.250 nan 0.000 0.436 197 R N 3.079 123.576 120.500 -0.005 0.000 2.604 197 R HA 0.401 4.741 4.340 -0.000 0.000 0.281 197 R C -0.648 175.750 176.300 0.163 0.000 1.020 197 R CA -0.612 55.544 56.100 0.093 0.000 0.899 197 R CB 1.511 31.851 30.300 0.066 0.000 1.205 197 R HN 0.551 nan 8.270 nan 0.000 0.450 198 L N 0.282 121.627 121.223 0.204 0.000 3.712 198 L HA 0.152 4.492 4.340 -0.000 0.000 0.357 198 L C 0.543 177.511 176.870 0.163 0.000 1.071 198 L CA 0.495 55.434 54.840 0.164 0.000 1.346 198 L CB 0.300 42.404 42.059 0.074 0.000 1.923 198 L HN 0.664 nan 8.230 nan 0.000 0.621 199 D N -2.046 118.225 120.400 -0.216 0.000 2.116 199 D HA 0.383 5.023 4.640 -0.000 0.000 0.347 199 D C 1.224 176.948 176.300 -0.959 0.000 1.045 199 D CA 0.672 54.466 54.000 -0.344 0.000 0.885 199 D CB 0.494 41.236 40.800 -0.095 0.000 1.654 199 D HN 0.067 nan 8.370 nan 0.000 0.533 200 G N 0.505 108.586 108.800 -1.199 0.000 2.309 200 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.183 200 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.183 200 G C 0.533 175.284 174.900 -0.249 0.000 1.063 200 G CA 0.288 44.931 45.100 -0.761 0.000 0.768 200 G HN 0.816 nan 8.290 nan 0.000 0.490 201 S N -1.692 113.920 115.700 -0.146 0.000 2.568 201 S HA 0.492 4.962 4.470 -0.000 0.000 0.232 201 S C 0.737 175.341 174.600 0.006 0.000 0.975 201 S CA 0.479 58.664 58.200 -0.024 0.000 0.949 201 S CB 1.016 64.239 63.200 0.038 0.000 0.829 201 S HN 0.978 nan 8.310 nan 0.000 0.479 202 V N 1.470 121.397 119.914 0.022 0.000 3.098 202 V HA 0.235 4.355 4.120 -0.000 0.000 0.416 202 V C -0.191 175.870 176.094 -0.054 0.000 1.449 202 V CA -0.474 61.787 62.300 -0.064 0.000 1.486 202 V CB 0.016 31.742 31.823 -0.161 0.000 1.277 202 V HN 0.490 nan 8.190 nan 0.000 0.623 203 D N 1.934 122.330 120.400 -0.007 0.000 5.309 203 D HA -0.257 4.382 4.640 -0.000 0.000 0.182 203 D C -0.153 176.113 176.300 -0.056 0.000 1.247 203 D CA 0.646 54.636 54.000 -0.017 0.000 0.736 203 D CB -0.607 40.124 40.800 -0.116 0.000 1.212 203 D HN 0.358 nan 8.370 nan 0.000 0.637 204 F N 2.256 122.218 119.950 0.019 0.000 2.506 204 F HA 0.104 4.631 4.527 -0.000 0.000 0.353 204 F C 1.826 177.598 175.800 -0.046 0.000 1.194 204 F CA 0.521 58.573 58.000 0.088 0.000 1.048 204 F CB 0.313 39.503 39.000 0.317 0.000 1.160 204 F HN 0.273 nan 8.300 nan 0.000 0.598 205 K N 2.206 122.500 120.400 -0.176 0.000 3.361 205 K HA 0.046 4.366 4.320 -0.000 0.000 0.150 205 K C -0.692 175.690 176.600 -0.364 0.000 0.968 205 K CA -0.367 55.841 56.287 -0.132 0.000 0.987 205 K CB 0.167 32.568 32.500 -0.164 0.000 0.646 205 K HN 0.141 nan 8.250 nan 0.000 0.392 206 K N 1.274 121.316 120.400 -0.596 0.000 2.118 206 K HA 0.169 4.489 4.320 -0.000 0.000 0.264 206 K C 0.161 176.628 176.600 -0.222 0.000 1.000 206 K CA -0.541 55.336 56.287 -0.684 0.000 0.929 206 K CB 0.705 32.395 32.500 -1.350 0.000 1.021 206 K HN 0.424 nan 8.250 nan 0.000 0.463 207 N N 0.635 119.244 118.700 -0.152 0.000 2.444 207 N HA -0.073 4.666 4.740 -0.000 0.000 0.255 207 N C 1.205 176.891 175.510 0.293 0.000 1.255 207 N CA -0.519 52.602 53.050 0.119 0.000 0.933 207 N CB 0.423 38.983 38.487 0.122 0.000 1.143 207 N HN 0.713 nan 8.380 nan 0.000 0.453 208 W N 1.913 123.359 121.300 0.244 0.000 2.300 208 W HA -0.378 4.282 4.660 -0.000 0.000 0.346 208 W C 1.045 177.743 176.519 0.298 0.000 1.405 208 W CA 1.812 59.336 57.345 0.298 0.000 1.281 208 W CB -0.708 28.887 29.460 0.226 0.000 1.097 208 W HN 0.604 nan 8.180 nan 0.000 0.470 209 I N 1.667 122.452 120.570 0.360 0.000 2.874 209 I HA -0.323 3.847 4.170 -0.000 0.000 0.271 209 I C 2.393 178.564 176.117 0.090 0.000 1.263 209 I CA 1.714 63.132 61.300 0.197 0.000 1.443 209 I CB -0.996 37.167 38.000 0.272 0.000 1.100 209 I HN 0.262 nan 8.210 nan 0.000 0.480 210 Q N -1.855 117.996 119.800 0.084 0.000 2.394 210 Q HA 0.024 4.364 4.340 -0.000 0.000 0.218 210 Q C 1.724 177.833 176.000 0.181 0.000 0.907 210 Q CA 0.603 56.446 55.803 0.067 0.000 0.919 210 Q CB -0.062 28.614 28.738 -0.102 0.000 1.051 210 Q HN 0.448 nan 8.270 nan 0.000 0.538 211 Y N 1.725 122.118 120.300 0.156 0.000 2.516 211 Y HA -0.048 4.502 4.550 -0.000 0.000 0.291 211 Y C 2.304 178.236 175.900 0.054 0.000 1.131 211 Y CA 0.872 59.073 58.100 0.169 0.000 1.281 211 Y CB 0.236 38.780 38.460 0.140 0.000 1.013 211 Y HN -0.018 nan 8.280 nan 0.000 0.554 212 K N 0.214 120.597 120.400 -0.028 0.000 2.029 212 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 212 K C 1.386 177.949 176.600 -0.062 0.000 1.042 212 K CA 1.262 57.439 56.287 -0.183 0.000 0.949 212 K CB 0.049 32.434 32.500 -0.192 0.000 0.740 212 K HN 0.083 nan 8.250 nan 0.000 0.442 213 E N 0.596 120.798 120.200 0.005 0.000 2.511 213 E HA 0.051 4.401 4.350 -0.000 0.000 0.196 213 E C 0.567 177.182 176.600 0.025 0.000 1.066 213 E CA 0.660 57.061 56.400 0.002 0.000 0.871 213 E CB 0.054 29.775 29.700 0.035 0.000 0.863 213 E HN 0.580 nan 8.360 nan 0.000 0.520 214 G N 1.405 110.274 108.800 0.115 0.000 2.755 214 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 214 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 214 G C -0.344 174.647 174.900 0.152 0.000 1.427 214 G CA -0.196 44.992 45.100 0.146 0.000 0.873 214 G HN 0.219 nan 8.290 nan 0.000 0.580 215 F N -1.201 118.771 119.950 0.038 0.000 2.824 215 F HA 0.935 5.462 4.527 -0.000 0.000 0.330 215 F C 1.170 176.888 175.800 -0.136 0.000 1.175 215 F CA 0.084 58.020 58.000 -0.107 0.000 0.974 215 F CB 0.736 39.577 39.000 -0.264 0.000 1.430 215 F HN 2.409 nan 8.300 nan 0.000 0.507 216 G N 0.813 109.672 108.800 0.098 0.000 2.554 216 G HA2 0.268 4.228 3.960 -0.000 0.000 0.253 216 G HA3 0.268 4.228 3.960 -0.000 0.000 0.253 216 G C -1.214 173.554 174.900 -0.220 0.000 1.172 216 G CA 0.639 45.604 45.100 -0.225 0.000 0.950 216 G HN 2.410 nan 8.290 nan 0.000 0.557 217 H N -1.852 117.234 119.070 0.026 0.000 3.139 217 H HA 0.675 5.231 4.556 -0.000 0.000 0.325 217 H C 0.260 175.488 175.328 -0.167 0.000 1.146 217 H CA -0.412 55.608 56.048 -0.047 0.000 1.351 217 H CB -0.364 29.377 29.762 -0.036 0.000 2.005 217 H HN 0.633 nan 8.280 nan 0.000 0.517 218 L N 1.386 122.526 121.223 -0.139 0.000 2.522 218 L HA 0.450 4.790 4.340 -0.000 0.000 0.157 218 L C 0.414 177.116 176.870 -0.279 0.000 1.397 218 L CA 0.618 55.181 54.840 -0.461 0.000 2.938 218 L CB -0.420 41.404 42.059 -0.390 0.000 2.913 218 L HN 1.086 nan 8.230 nan 0.000 0.949 219 S N -2.849 112.688 115.700 -0.271 0.000 2.608 219 S HA 0.036 4.506 4.470 -0.000 0.000 0.278 219 S C -2.603 171.884 174.600 -0.190 0.000 0.858 219 S CA -0.496 57.569 58.200 -0.225 0.000 1.162 219 S CB -0.063 62.989 63.200 -0.248 0.000 1.452 219 S HN 0.289 nan 8.310 nan 0.000 0.446 220 P HA -0.001 nan 4.420 nan 0.000 0.211 220 P C 1.821 179.109 177.300 -0.020 0.000 1.188 220 P CA 2.918 65.986 63.100 -0.054 0.000 0.904 220 P CB -0.884 30.785 31.700 -0.052 0.000 0.765 221 T N -2.608 111.918 114.554 -0.047 0.000 2.453 221 T HA 0.047 4.397 4.350 -0.000 0.000 0.243 221 T C 1.879 176.540 174.700 -0.065 0.000 1.254 221 T CA 2.242 64.338 62.100 -0.007 0.000 1.327 221 T CB -1.290 67.563 68.868 -0.026 0.000 0.885 221 T HN 0.301 nan 8.240 nan 0.000 0.391 222 G N 0.167 108.847 108.800 -0.200 0.000 4.120 222 G HA2 0.144 4.104 3.960 -0.000 0.000 0.209 222 G HA3 0.144 4.104 3.960 -0.000 0.000 0.209 222 G C 0.525 175.288 174.900 -0.227 0.000 1.430 222 G CA 0.303 45.173 45.100 -0.382 0.000 0.975 222 G HN 1.059 nan 8.290 nan 0.000 0.525 223 T N 0.551 115.052 114.554 -0.089 0.000 2.642 223 T HA 0.387 4.737 4.350 -0.000 0.000 0.258 223 T C 0.066 174.752 174.700 -0.023 0.000 1.022 223 T CA 1.303 63.385 62.100 -0.030 0.000 1.266 223 T CB 0.244 69.102 68.868 -0.015 0.000 0.987 223 T HN 1.239 nan 8.240 nan 0.000 0.518 224 T N 2.578 117.166 114.554 0.056 0.000 4.033 224 T HA 0.092 4.442 4.350 -0.000 0.000 0.253 224 T C -0.635 174.263 174.700 0.330 0.000 0.614 224 T CA -0.685 61.515 62.100 0.168 0.000 0.886 224 T CB -0.015 68.889 68.868 0.061 0.000 1.286 224 T HN 0.779 nan 8.240 nan 0.000 0.479 225 E N 3.203 123.592 120.200 0.314 0.000 2.765 225 E HA 0.379 4.729 4.350 -0.000 0.000 0.256 225 E C -0.137 176.753 176.600 0.483 0.000 0.935 225 E CA 0.747 57.388 56.400 0.403 0.000 0.954 225 E CB 0.152 30.131 29.700 0.465 0.000 0.908 225 E HN 0.542 nan 8.360 nan 0.000 0.500 226 F N 1.718 121.870 119.950 0.336 0.000 2.665 226 F HA 0.435 4.961 4.527 -0.000 0.000 0.308 226 F C -1.967 173.940 175.800 0.178 0.000 1.112 226 F CA -1.167 56.895 58.000 0.104 0.000 0.972 226 F CB 1.198 40.222 39.000 0.041 0.000 1.295 226 F HN 0.457 nan 8.300 nan 0.000 0.440 227 W N 7.777 128.930 121.300 -0.245 0.000 2.443 227 W HA 0.295 4.955 4.660 -0.000 0.000 0.303 227 W C -0.010 176.440 176.519 -0.115 0.000 0.991 227 W CA -0.904 56.244 57.345 -0.329 0.000 1.522 227 W CB 1.745 30.726 29.460 -0.798 0.000 1.315 227 W HN 0.916 nan 8.180 nan 0.000 0.419 228 L N 5.198 126.289 121.223 -0.220 0.000 2.270 228 L HA 0.023 4.363 4.340 -0.000 0.000 0.217 228 L C 0.906 177.646 176.870 -0.216 0.000 1.107 228 L CA 2.595 57.464 54.840 0.048 0.000 0.772 228 L CB -0.838 41.356 42.059 0.224 0.000 0.902 228 L HN 0.656 nan 8.230 nan 0.000 0.439 229 G N -0.683 107.763 108.800 -0.590 0.000 3.402 229 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 229 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 229 G C 0.445 175.190 174.900 -0.259 0.000 0.983 229 G CA 0.050 45.039 45.100 -0.185 0.000 0.821 229 G HN 0.521 nan 8.290 nan 0.000 0.500 230 N N 0.573 119.135 118.700 -0.230 0.000 2.139 230 N HA -0.337 4.403 4.740 -0.000 0.000 0.199 230 N C 1.945 177.146 175.510 -0.515 0.000 1.003 230 N CA 1.905 54.572 53.050 -0.638 0.000 0.892 230 N CB -0.068 37.440 38.487 -1.632 0.000 1.039 230 N HN 0.746 nan 8.380 nan 0.000 0.461 231 E N 1.827 121.810 120.200 -0.362 0.000 2.013 231 E HA -0.198 4.152 4.350 -0.000 0.000 0.202 231 E C 1.637 178.196 176.600 -0.069 0.000 1.018 231 E CA 1.706 58.067 56.400 -0.065 0.000 0.834 231 E CB -0.216 29.462 29.700 -0.037 0.000 0.770 231 E HN 0.182 nan 8.360 nan 0.000 0.459 232 K N -0.221 120.032 120.400 -0.245 0.000 2.152 232 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 232 K C 2.198 178.700 176.600 -0.163 0.000 1.048 232 K CA 1.515 57.560 56.287 -0.402 0.000 0.933 232 K CB -0.294 31.606 32.500 -0.999 0.000 0.721 232 K HN 0.271 nan 8.250 nan 0.000 0.447 233 I N 0.085 120.570 120.570 -0.141 0.000 2.567 233 I HA -0.263 3.906 4.170 -0.000 0.000 0.257 233 I C 2.221 178.334 176.117 -0.006 0.000 1.184 233 I CA 0.963 62.211 61.300 -0.086 0.000 1.451 233 I CB -0.321 37.606 38.000 -0.122 0.000 1.089 233 I HN 0.294 nan 8.210 nan 0.000 0.441 234 H N 2.055 121.108 119.070 -0.030 0.000 2.265 234 H HA -0.112 4.444 4.556 -0.000 0.000 0.305 234 H C 1.944 177.271 175.328 -0.001 0.000 1.054 234 H CA 1.699 57.769 56.048 0.038 0.000 1.296 234 H CB -0.408 29.435 29.762 0.135 0.000 1.395 234 H HN 0.052 nan 8.280 nan 0.000 0.502 235 L N 1.106 122.191 121.223 -0.230 0.000 2.357 235 L HA -0.113 4.227 4.340 -0.000 0.000 0.220 235 L C 1.811 178.572 176.870 -0.182 0.000 1.123 235 L CA 1.713 56.404 54.840 -0.248 0.000 0.782 235 L CB -1.312 40.746 42.059 -0.001 0.000 0.910 235 L HN 0.631 nan 8.230 nan 0.000 0.442 236 I N -5.171 115.305 120.570 -0.156 0.000 3.805 236 I HA 0.380 4.550 4.170 -0.000 0.000 0.337 236 I C 1.007 176.830 176.117 -0.490 0.000 1.539 236 I CA 0.133 61.309 61.300 -0.206 0.000 1.176 236 I CB 0.269 38.260 38.000 -0.015 0.000 1.248 236 I HN 0.079 nan 8.210 nan 0.000 0.437 237 S N 0.564 115.985 115.700 -0.466 0.000 2.800 237 S HA 0.104 4.574 4.470 -0.000 0.000 0.266 237 S C 0.983 175.412 174.600 -0.284 0.000 1.029 237 S CA 0.565 58.483 58.200 -0.470 0.000 1.302 237 S CB 0.278 63.393 63.200 -0.142 0.000 1.212 237 S HN 0.680 nan 8.310 nan 0.000 0.683 238 T N 0.020 114.400 114.554 -0.290 0.000 3.641 238 T HA 0.329 4.679 4.350 -0.000 0.000 0.313 238 T C -0.596 174.039 174.700 -0.108 0.000 0.952 238 T CA -0.413 61.590 62.100 -0.162 0.000 1.004 238 T CB -0.009 68.734 68.868 -0.208 0.000 1.209 238 T HN 0.156 nan 8.240 nan 0.000 0.493 239 Q N 1.698 121.445 119.800 -0.089 0.000 2.300 239 Q HA 0.533 4.873 4.340 -0.000 0.000 0.262 239 Q C 0.973 176.994 176.000 0.035 0.000 1.109 239 Q CA 0.454 56.245 55.803 -0.020 0.000 0.905 239 Q CB 0.838 29.577 28.738 0.003 0.000 1.280 239 Q HN 0.416 nan 8.270 nan 0.000 0.426 240 S N 2.605 118.321 115.700 0.027 0.000 3.011 240 S HA -0.326 4.144 4.470 -0.000 0.000 0.278 240 S C 0.365 174.995 174.600 0.051 0.000 1.300 240 S CA 1.105 59.329 58.200 0.039 0.000 1.248 240 S CB -1.333 61.893 63.200 0.042 0.000 1.517 240 S HN 2.006 nan 8.310 nan 0.000 0.685 241 A N -1.103 121.753 122.820 0.061 0.000 2.108 241 A HA -0.059 4.261 4.320 -0.000 0.000 0.270 241 A C -0.267 177.378 177.584 0.102 0.000 1.390 241 A CA 1.200 53.285 52.037 0.080 0.000 0.729 241 A CB -2.025 17.010 19.000 0.058 0.000 1.185 241 A HN 1.273 nan 8.150 nan 0.000 0.318 242 I N 3.424 124.087 120.570 0.154 0.000 2.466 242 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 242 I C -1.855 174.353 176.117 0.152 0.000 1.026 242 I CA -2.170 59.200 61.300 0.117 0.000 1.078 242 I CB 1.811 39.854 38.000 0.072 0.000 1.249 242 I HN 0.375 nan 8.210 nan 0.000 0.429 243 P HA -0.153 nan 4.420 nan 0.000 0.248 243 P C -1.032 176.287 177.300 0.033 0.000 1.127 243 P CA 0.928 64.093 63.100 0.109 0.000 0.801 243 P CB -0.024 31.781 31.700 0.175 0.000 0.732 244 Y N 2.636 122.973 120.300 0.062 0.000 2.645 244 Y HA 0.687 5.237 4.550 -0.000 0.000 0.341 244 Y C 0.809 176.749 175.900 0.066 0.000 1.234 244 Y CA -0.296 57.840 58.100 0.061 0.000 1.352 244 Y CB 1.338 39.833 38.460 0.059 0.000 1.556 244 Y HN 0.558 nan 8.280 nan 0.000 0.607 245 A N 0.601 123.547 122.820 0.209 0.000 2.583 245 A HA 0.508 4.828 4.320 -0.000 0.000 0.298 245 A C -2.384 175.205 177.584 0.010 0.000 1.055 245 A CA -0.641 51.484 52.037 0.147 0.000 0.714 245 A CB 0.668 19.727 19.000 0.097 0.000 1.277 245 A HN 0.623 nan 8.150 nan 0.000 0.406 246 L N 0.862 122.105 121.223 0.034 0.000 2.322 246 L HA 0.900 5.240 4.340 -0.000 0.000 0.279 246 L C 0.222 177.193 176.870 0.168 0.000 1.036 246 L CA -0.171 54.634 54.840 -0.057 0.000 0.807 246 L CB 1.329 43.369 42.059 -0.030 0.000 1.226 246 L HN 0.720 nan 8.230 nan 0.000 0.433 247 R N 3.821 124.432 120.500 0.185 0.000 2.564 247 R HA 0.418 4.758 4.340 -0.000 0.000 0.282 247 R C -1.312 174.990 176.300 0.003 0.000 1.573 247 R CA -0.519 55.651 56.100 0.116 0.000 1.588 247 R CB 0.589 31.021 30.300 0.219 0.000 1.154 247 R HN 0.651 nan 8.270 nan 0.000 0.606 248 V N 3.589 123.498 119.914 -0.009 0.000 2.529 248 V HA -0.093 4.027 4.120 -0.000 0.000 0.249 248 V C 0.782 176.704 176.094 -0.287 0.000 1.021 248 V CA 0.969 63.186 62.300 -0.139 0.000 1.203 248 V CB -0.483 31.191 31.823 -0.248 0.000 1.136 248 V HN 0.623 nan 8.190 nan 0.000 0.474 249 E N 3.186 123.239 120.200 -0.245 0.000 2.373 249 E HA 0.501 4.851 4.350 -0.000 0.000 0.263 249 E C -0.474 175.944 176.600 -0.303 0.000 1.073 249 E CA -0.543 55.689 56.400 -0.279 0.000 0.894 249 E CB 1.161 30.709 29.700 -0.253 0.000 1.008 249 E HN 0.415 nan 8.360 nan 0.000 0.420 250 L N 1.882 122.918 121.223 -0.311 0.000 2.579 250 L HA 0.533 4.873 4.340 -0.000 0.000 0.242 250 L C -1.637 175.174 176.870 -0.098 0.000 1.115 250 L CA -0.417 54.275 54.840 -0.246 0.000 1.066 250 L CB 1.784 43.595 42.059 -0.413 0.000 1.588 250 L HN 0.779 nan 8.230 nan 0.000 0.391 251 E N 0.012 120.275 120.200 0.105 0.000 2.857 251 E HA 0.213 4.563 4.350 -0.000 0.000 0.309 251 E C -2.130 174.564 176.600 0.156 0.000 1.113 251 E CA -0.556 55.949 56.400 0.176 0.000 0.906 251 E CB 0.850 30.544 29.700 -0.010 0.000 1.191 251 E HN 0.627 nan 8.360 nan 0.000 0.449 252 D N 1.913 122.383 120.400 0.116 0.000 2.423 252 D HA 0.090 4.730 4.640 -0.000 0.000 0.255 252 D C 0.097 176.397 176.300 -0.000 0.000 1.174 252 D CA -0.427 53.551 54.000 -0.037 0.000 1.008 252 D CB 0.386 41.065 40.800 -0.202 0.000 1.101 252 D HN 0.541 nan 8.370 nan 0.000 0.516 253 W N -0.242 121.146 121.300 0.147 0.000 3.310 253 W HA 0.198 4.858 4.660 -0.000 0.000 0.395 253 W C 0.332 176.882 176.519 0.051 0.000 1.059 253 W CA -0.417 56.955 57.345 0.045 0.000 1.845 253 W CB -0.349 29.062 29.460 -0.081 0.000 0.908 253 W HN 0.189 nan 8.180 nan 0.000 0.798 254 N N -0.612 118.209 118.700 0.201 0.000 2.297 254 N HA 0.102 4.842 4.740 -0.000 0.000 0.244 254 N C 0.834 176.395 175.510 0.084 0.000 1.412 254 N CA 0.726 53.859 53.050 0.138 0.000 0.837 254 N CB 0.803 39.364 38.487 0.123 0.000 1.336 254 N HN 0.262 nan 8.380 nan 0.000 0.508 255 G N 1.586 110.427 108.800 0.070 0.000 4.686 255 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.235 255 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.235 255 G C 0.047 174.986 174.900 0.064 0.000 1.589 255 G CA -0.494 44.639 45.100 0.054 0.000 1.172 255 G HN 0.294 nan 8.290 nan 0.000 0.660 256 R N 2.875 123.424 120.500 0.083 0.000 2.501 256 R HA 0.365 4.705 4.340 -0.000 0.000 0.319 256 R C 0.902 177.333 176.300 0.219 0.000 0.913 256 R CA 1.076 57.251 56.100 0.125 0.000 1.104 256 R CB 0.077 30.461 30.300 0.140 0.000 0.901 256 R HN 0.705 nan 8.270 nan 0.000 0.407 257 T N -0.450 114.182 114.554 0.130 0.000 2.943 257 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 257 T C 0.516 175.177 174.700 -0.065 0.000 1.015 257 T CA -0.772 61.370 62.100 0.071 0.000 1.042 257 T CB 1.980 70.828 68.868 -0.033 0.000 1.055 257 T HN 0.358 nan 8.240 nan 0.000 0.500 258 S N 0.424 115.911 115.700 -0.356 0.000 4.337 258 S HA 0.848 5.318 4.470 -0.000 0.000 0.207 258 S C 0.174 174.525 174.600 -0.415 0.000 1.031 258 S CA -0.139 57.735 58.200 -0.544 0.000 1.792 258 S CB 0.623 63.083 63.200 -1.234 0.000 0.767 258 S HN 1.313 nan 8.310 nan 0.000 0.736 259 T N -0.693 113.568 114.554 -0.488 0.000 3.109 259 T HA 0.424 4.774 4.350 -0.000 0.000 0.352 259 T C -2.388 172.132 174.700 -0.300 0.000 1.779 259 T CA -0.101 61.793 62.100 -0.343 0.000 1.022 259 T CB -0.505 68.226 68.868 -0.228 0.000 1.911 259 T HN 1.296 nan 8.240 nan 0.000 0.528 260 A N 3.093 125.781 122.820 -0.220 0.000 2.513 260 A HA 0.702 5.022 4.320 -0.000 0.000 0.296 260 A C -1.340 176.149 177.584 -0.159 0.000 1.052 260 A CA -0.693 51.266 52.037 -0.129 0.000 0.714 260 A CB 1.490 20.483 19.000 -0.013 0.000 1.279 260 A HN 0.773 nan 8.150 nan 0.000 0.397 261 D N -0.092 120.137 120.400 -0.286 0.000 2.494 261 D HA 0.850 5.490 4.640 -0.000 0.000 0.259 261 D C -0.985 174.965 176.300 -0.584 0.000 1.109 261 D CA 0.304 54.151 54.000 -0.255 0.000 1.040 261 D CB 0.541 41.250 40.800 -0.152 0.000 1.175 261 D HN 0.416 nan 8.370 nan 0.000 0.584 262 Y N -1.156 119.104 120.300 -0.066 0.000 2.677 262 Y HA 0.533 5.083 4.550 -0.000 0.000 0.334 262 Y C -0.754 174.929 175.900 -0.361 0.000 1.196 262 Y CA -1.431 56.549 58.100 -0.200 0.000 1.059 262 Y CB 1.307 39.718 38.460 -0.082 0.000 1.315 262 Y HN 0.416 nan 8.280 nan 0.000 0.455 263 A N 1.457 124.078 122.820 -0.332 0.000 2.306 263 A HA 0.643 4.963 4.320 -0.000 0.000 0.314 263 A C -0.051 177.405 177.584 -0.215 0.000 1.164 263 A CA -0.645 51.038 52.037 -0.590 0.000 0.822 263 A CB 0.103 18.581 19.000 -0.870 0.000 1.130 263 A HN 0.890 nan 8.150 nan 0.000 0.496 264 M N 0.932 120.377 119.600 -0.259 0.000 2.322 264 M HA -0.203 4.277 4.480 -0.000 0.000 0.197 264 M C 0.072 176.433 176.300 0.102 0.000 0.385 264 M CA 0.455 55.740 55.300 -0.026 0.000 0.418 264 M CB -2.509 30.084 32.600 -0.012 0.000 1.388 264 M HN 0.671 nan 8.290 nan 0.000 0.887 265 F N 1.058 121.005 119.950 -0.006 0.000 2.505 265 F HA 0.020 4.547 4.527 -0.000 0.000 0.370 265 F C 0.837 176.638 175.800 0.003 0.000 1.009 265 F CA 1.406 59.419 58.000 0.022 0.000 1.244 265 F CB 0.308 39.328 39.000 0.035 0.000 0.925 265 F HN 0.295 nan 8.300 nan 0.000 0.590 266 K N 4.359 124.533 120.400 -0.376 0.000 2.579 266 K HA 0.428 4.748 4.320 -0.000 0.000 0.257 266 K C -2.038 174.388 176.600 -0.290 0.000 0.950 266 K CA -0.748 55.448 56.287 -0.151 0.000 0.862 266 K CB 1.525 33.993 32.500 -0.054 0.000 1.317 266 K HN 0.393 nan 8.250 nan 0.000 0.436 267 V N 3.001 122.886 119.914 -0.048 0.000 2.370 267 V HA 0.453 4.573 4.120 -0.000 0.000 0.279 267 V C 0.779 177.022 176.094 0.248 0.000 1.029 267 V CA -0.407 61.947 62.300 0.090 0.000 0.870 267 V CB 1.328 33.311 31.823 0.267 0.000 0.984 267 V HN 0.882 nan 8.190 nan 0.000 0.451 268 G N 6.721 115.635 108.800 0.190 0.000 2.491 268 G HA2 0.319 4.279 3.960 -0.000 0.000 0.238 268 G HA3 0.319 4.279 3.960 -0.000 0.000 0.238 268 G C -2.338 172.605 174.900 0.072 0.000 1.277 268 G CA -0.772 44.415 45.100 0.145 0.000 0.851 268 G HN 0.561 nan 8.290 nan 0.000 0.573 269 P HA -0.011 nan 4.420 nan 0.000 0.266 269 P C 0.692 177.769 177.300 -0.372 0.000 1.195 269 P CA 0.002 62.797 63.100 -0.507 0.000 0.768 269 P CB 1.118 32.538 31.700 -0.467 0.000 0.838 270 E N 2.685 122.599 120.200 -0.477 0.000 2.236 270 E HA -0.320 4.030 4.350 -0.000 0.000 0.205 270 E C 1.644 178.109 176.600 -0.224 0.000 1.028 270 E CA 1.717 57.781 56.400 -0.560 0.000 0.827 270 E CB -0.280 29.347 29.700 -0.121 0.000 0.735 270 E HN 0.534 nan 8.360 nan 0.000 0.470 271 A N 1.593 124.321 122.820 -0.154 0.000 1.908 271 A HA -0.322 3.998 4.320 -0.000 0.000 0.211 271 A C 2.021 179.555 177.584 -0.084 0.000 1.225 271 A CA 2.185 54.170 52.037 -0.087 0.000 0.689 271 A CB -1.355 17.604 19.000 -0.069 0.000 0.843 271 A HN 0.494 nan 8.150 nan 0.000 0.472 272 D N -2.459 117.897 120.400 -0.074 0.000 2.280 272 D HA -0.136 4.504 4.640 -0.000 0.000 0.206 272 D C 0.915 177.195 176.300 -0.033 0.000 0.988 272 D CA 1.761 55.735 54.000 -0.043 0.000 0.886 272 D CB 0.099 40.883 40.800 -0.027 0.000 0.914 272 D HN 0.354 nan 8.370 nan 0.000 0.473 273 K N -3.087 117.259 120.400 -0.089 0.000 8.070 273 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 273 K C -0.583 175.868 176.600 -0.249 0.000 1.601 273 K CA 0.311 56.561 56.287 -0.060 0.000 0.928 273 K CB -1.513 31.058 32.500 0.119 0.000 0.390 273 K HN 0.067 nan 8.250 nan 0.000 0.419 274 Y N 1.529 122.045 120.300 0.360 0.000 2.707 274 Y HA 0.295 4.845 4.550 -0.000 0.000 0.249 274 Y C 0.673 176.891 175.900 0.530 0.000 1.166 274 Y CA -0.255 58.052 58.100 0.346 0.000 1.184 274 Y CB 0.516 39.102 38.460 0.211 0.000 1.240 274 Y HN 0.219 nan 8.280 nan 0.000 0.547 275 R N 2.996 123.765 120.500 0.447 0.000 2.526 275 R HA -0.031 4.308 4.340 -0.000 0.000 0.319 275 R C -0.223 176.098 176.300 0.035 0.000 0.888 275 R CA 0.179 56.429 56.100 0.250 0.000 1.127 275 R CB -0.131 30.222 30.300 0.089 0.000 0.888 275 R HN 0.465 nan 8.270 nan 0.000 0.410 276 L N 2.907 123.931 121.223 -0.332 0.000 2.331 276 L HA 0.416 4.756 4.340 -0.000 0.000 0.278 276 L C -0.113 176.406 176.870 -0.585 0.000 1.106 276 L CA -0.593 53.860 54.840 -0.644 0.000 0.824 276 L CB 1.606 42.888 42.059 -1.295 0.000 1.142 276 L HN 0.645 nan 8.230 nan 0.000 0.443 277 T N 0.836 115.083 114.554 -0.512 0.000 3.060 277 T HA 0.440 4.790 4.350 -0.000 0.000 0.367 277 T C -0.554 173.935 174.700 -0.351 0.000 1.229 277 T CA -0.568 61.283 62.100 -0.415 0.000 1.104 277 T CB 0.048 68.774 68.868 -0.236 0.000 1.083 277 T HN 0.624 nan 8.240 nan 0.000 0.524 278 Y N 1.982 122.085 120.300 -0.328 0.000 2.387 278 Y HA 0.858 5.408 4.550 -0.000 0.000 0.330 278 Y C 0.878 176.717 175.900 -0.101 0.000 1.133 278 Y CA -1.611 56.355 58.100 -0.223 0.000 1.152 278 Y CB 0.876 39.180 38.460 -0.259 0.000 1.215 278 Y HN 0.476 nan 8.280 nan 0.000 0.466 279 A N 3.355 126.297 122.820 0.204 0.000 1.831 279 A HA 0.182 4.502 4.320 -0.000 0.000 0.213 279 A C -0.077 177.781 177.584 0.458 0.000 1.223 279 A CA 1.671 53.849 52.037 0.235 0.000 0.604 279 A CB -0.838 18.299 19.000 0.228 0.000 0.878 279 A HN 0.947 nan 8.150 nan 0.000 0.450 280 Y N -4.738 115.779 120.300 0.361 0.000 2.669 280 Y HA 0.708 5.257 4.550 -0.000 0.000 0.335 280 Y C -0.674 175.458 175.900 0.387 0.000 1.116 280 Y CA -2.685 55.634 58.100 0.365 0.000 1.081 280 Y CB 0.301 38.886 38.460 0.208 0.000 1.297 280 Y HN 0.163 nan 8.280 nan 0.000 0.484 281 F N 1.807 121.920 119.950 0.271 0.000 2.389 281 F HA 0.681 5.208 4.527 -0.000 0.000 0.337 281 F C -0.049 175.768 175.800 0.029 0.000 1.112 281 F CA -1.492 56.474 58.000 -0.057 0.000 1.192 281 F CB 1.332 40.349 39.000 0.029 0.000 1.185 281 F HN 0.755 nan 8.300 nan 0.000 0.552 282 A N 4.156 126.662 122.820 -0.522 0.000 3.308 282 A HA 0.632 4.952 4.320 -0.000 0.000 0.275 282 A C 0.337 177.574 177.584 -0.578 0.000 0.950 282 A CA 0.200 52.029 52.037 -0.348 0.000 0.987 282 A CB -0.606 18.339 19.000 -0.091 0.000 1.146 282 A HN 1.849 nan 8.150 nan 0.000 0.488 283 G N -0.043 108.181 108.800 -0.958 0.000 2.466 283 G HA2 0.487 4.447 3.960 -0.000 0.000 0.218 283 G HA3 0.487 4.447 3.960 -0.000 0.000 0.218 283 G C 1.015 175.511 174.900 -0.674 0.000 1.237 283 G CA 0.452 45.153 45.100 -0.665 0.000 0.954 283 G HN 2.628 nan 8.290 nan 0.000 0.580 284 G N -0.287 108.315 108.800 -0.330 0.000 3.284 284 G HA2 0.287 4.247 3.960 -0.000 0.000 0.665 284 G HA3 0.287 4.247 3.960 -0.000 0.000 0.665 284 G C 0.437 175.261 174.900 -0.127 0.000 0.894 284 G CA 0.895 45.863 45.100 -0.219 0.000 0.838 284 G HN 2.171 nan 8.290 nan 0.000 0.501 285 D N 1.271 121.591 120.400 -0.133 0.000 2.324 285 D HA 0.208 4.848 4.640 -0.000 0.000 0.235 285 D C 1.900 178.086 176.300 -0.190 0.000 1.095 285 D CA 0.792 54.748 54.000 -0.074 0.000 0.871 285 D CB -0.105 40.673 40.800 -0.038 0.000 0.906 285 D HN 0.903 nan 8.370 nan 0.000 0.522 286 A N 0.867 123.491 122.820 -0.327 0.000 2.019 286 A HA 0.296 4.616 4.320 -0.000 0.000 0.219 286 A C 1.462 178.967 177.584 -0.132 0.000 1.164 286 A CA 1.115 52.751 52.037 -0.668 0.000 0.644 286 A CB -0.783 17.813 19.000 -0.673 0.000 0.805 286 A HN 0.739 nan 8.150 nan 0.000 0.449 287 G N -0.636 108.293 108.800 0.215 0.000 3.209 287 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.686 287 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.686 287 G C -0.778 174.327 174.900 0.340 0.000 1.065 287 G CA -0.063 45.251 45.100 0.356 0.000 0.812 287 G HN 0.358 nan 8.290 nan 0.000 0.573 288 D N 1.921 122.279 120.400 -0.071 0.000 2.435 288 D HA 0.451 5.091 4.640 -0.000 0.000 0.230 288 D C 1.254 177.411 176.300 -0.238 0.000 1.215 288 D CA 0.521 54.197 54.000 -0.540 0.000 0.947 288 D CB 0.614 40.737 40.800 -1.128 0.000 1.048 288 D HN 0.838 nan 8.370 nan 0.000 0.512 289 A N 3.623 126.194 122.820 -0.415 0.000 2.307 289 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 289 A C 0.989 178.561 177.584 -0.021 0.000 1.228 289 A CA -0.159 51.598 52.037 -0.466 0.000 0.857 289 A CB -0.161 18.091 19.000 -1.246 0.000 0.897 289 A HN 0.451 nan 8.150 nan 0.000 0.495 290 F N -0.532 119.308 119.950 -0.185 0.000 2.754 290 F HA 0.143 4.670 4.527 -0.000 0.000 0.297 290 F C 1.179 177.072 175.800 0.155 0.000 1.122 290 F CA 0.104 58.132 58.000 0.046 0.000 1.400 290 F CB -0.018 39.014 39.000 0.054 0.000 1.117 290 F HN 0.337 nan 8.300 nan 0.000 0.587 291 D N -0.078 120.480 120.400 0.264 0.000 2.460 291 D HA 0.366 5.006 4.640 -0.000 0.000 0.229 291 D C 0.863 177.257 176.300 0.156 0.000 1.170 291 D CA 0.578 54.699 54.000 0.200 0.000 0.827 291 D CB -0.137 40.744 40.800 0.135 0.000 0.973 291 D HN 0.232 nan 8.370 nan 0.000 0.496 292 G N 0.431 109.344 108.800 0.187 0.000 2.888 292 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.441 292 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.441 292 G C -0.695 174.306 174.900 0.169 0.000 1.461 292 G CA -0.299 44.902 45.100 0.169 0.000 0.897 292 G HN 0.360 nan 8.290 nan 0.000 0.547 293 F N 0.286 120.167 119.950 -0.115 0.000 2.670 293 F HA 0.484 5.011 4.527 -0.000 0.000 0.332 293 F C -0.769 174.767 175.800 -0.441 0.000 1.179 293 F CA -0.693 57.125 58.000 -0.303 0.000 1.076 293 F CB 1.730 40.453 39.000 -0.461 0.000 1.322 293 F HN 0.668 nan 8.300 nan 0.000 0.515 294 D N 4.582 124.477 120.400 -0.842 0.000 2.338 294 D HA 0.228 4.868 4.640 -0.000 0.000 0.255 294 D C 0.260 176.263 176.300 -0.494 0.000 1.237 294 D CA 0.347 54.044 54.000 -0.506 0.000 0.883 294 D CB 0.456 41.048 40.800 -0.347 0.000 1.087 294 D HN 0.376 nan 8.370 nan 0.000 0.485 295 F N 2.027 121.984 119.950 0.012 0.000 2.732 295 F HA 0.243 4.770 4.527 -0.000 0.000 0.303 295 F C 2.083 177.913 175.800 0.050 0.000 1.110 295 F CA 0.322 58.378 58.000 0.093 0.000 1.355 295 F CB 0.192 39.258 39.000 0.109 0.000 1.081 295 F HN 0.662 nan 8.300 nan 0.000 0.565 296 G N 0.334 109.220 108.800 0.145 0.000 2.990 296 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.225 296 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.225 296 G C 1.168 176.138 174.900 0.118 0.000 1.304 296 G CA 0.577 45.743 45.100 0.109 0.000 0.816 296 G HN 0.295 nan 8.290 nan 0.000 0.528 297 D N 1.284 121.773 120.400 0.149 0.000 2.345 297 D HA 0.068 4.708 4.640 -0.000 0.000 0.190 297 D C 0.977 177.341 176.300 0.107 0.000 1.024 297 D CA 2.220 56.293 54.000 0.121 0.000 0.893 297 D CB -0.087 40.782 40.800 0.116 0.000 0.907 297 D HN 0.863 nan 8.370 nan 0.000 0.452 298 D N -3.998 116.474 120.400 0.120 0.000 2.836 298 D HA 0.170 4.810 4.640 -0.000 0.000 0.215 298 D C -2.428 173.929 176.300 0.096 0.000 1.255 298 D CA -1.342 52.723 54.000 0.109 0.000 0.822 298 D CB 1.520 42.404 40.800 0.141 0.000 1.656 298 D HN -0.338 nan 8.370 nan 0.000 0.511 299 P HA -0.113 nan 4.420 nan 0.000 0.219 299 P C 0.421 177.731 177.300 0.017 0.000 1.145 299 P CA 0.974 64.085 63.100 0.019 0.000 0.813 299 P CB 0.219 31.922 31.700 0.004 0.000 0.771 300 S N -1.448 114.287 115.700 0.058 0.000 2.634 300 S HA 0.019 4.489 4.470 -0.000 0.000 0.221 300 S C 0.971 175.655 174.600 0.140 0.000 0.952 300 S CA 0.125 58.330 58.200 0.007 0.000 0.930 300 S CB -0.551 62.583 63.200 -0.110 0.000 0.780 300 S HN 0.188 nan 8.310 nan 0.000 0.498 301 D N 2.147 122.660 120.400 0.188 0.000 2.178 301 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 301 D C 1.839 178.272 176.300 0.222 0.000 0.980 301 D CA 1.029 55.200 54.000 0.285 0.000 0.842 301 D CB 0.061 41.048 40.800 0.313 0.000 0.948 301 D HN 0.308 nan 8.370 nan 0.000 0.472 302 K N -0.914 119.534 120.400 0.079 0.000 2.116 302 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 302 K C 1.623 178.296 176.600 0.121 0.000 1.052 302 K CA 0.400 56.709 56.287 0.037 0.000 0.952 302 K CB -0.013 32.447 32.500 -0.066 0.000 0.729 302 K HN 0.035 nan 8.250 nan 0.000 0.446 303 F N 0.144 120.010 119.950 -0.140 0.000 2.416 303 F HA 0.069 4.596 4.527 -0.000 0.000 0.296 303 F C 1.030 176.728 175.800 -0.171 0.000 1.099 303 F CA 0.540 58.410 58.000 -0.217 0.000 1.427 303 F CB -0.001 38.773 39.000 -0.376 0.000 1.079 303 F HN -0.069 nan 8.300 nan 0.000 0.536 304 F N 0.082 119.992 119.950 -0.067 0.000 2.664 304 F HA 0.089 4.616 4.527 -0.000 0.000 0.296 304 F C 2.051 177.770 175.800 -0.134 0.000 1.125 304 F CA 1.128 59.017 58.000 -0.185 0.000 1.444 304 F CB -1.059 37.885 39.000 -0.094 0.000 1.114 304 F HN 0.007 nan 8.300 nan 0.000 0.576 305 T N -2.460 112.185 114.554 0.151 0.000 3.275 305 T HA 0.270 4.620 4.350 -0.000 0.000 0.265 305 T C 0.231 174.965 174.700 0.057 0.000 0.978 305 T CA -0.318 61.851 62.100 0.114 0.000 0.923 305 T CB -0.720 68.379 68.868 0.385 0.000 1.126 305 T HN 0.038 nan 8.240 nan 0.000 0.538 306 S N 0.170 115.848 115.700 -0.037 0.000 2.462 306 S HA 0.481 4.951 4.470 -0.000 0.000 0.294 306 S C 0.070 174.564 174.600 -0.177 0.000 1.144 306 S CA -0.654 57.565 58.200 0.031 0.000 1.088 306 S CB 1.057 64.313 63.200 0.092 0.000 1.009 306 S HN 0.441 nan 8.310 nan 0.000 0.484 307 H N 1.094 120.093 119.070 -0.117 0.000 2.639 307 H HA 0.315 4.871 4.556 -0.000 0.000 0.267 307 H C 0.663 175.678 175.328 -0.523 0.000 0.958 307 H CA 0.059 55.888 56.048 -0.366 0.000 1.221 307 H CB -0.197 29.146 29.762 -0.698 0.000 1.446 307 H HN 0.634 nan 8.280 nan 0.000 0.512 308 N N 1.519 120.038 118.700 -0.300 0.000 2.292 308 N HA -0.009 4.731 4.740 -0.000 0.000 0.258 308 N C 0.652 175.878 175.510 -0.473 0.000 1.261 308 N CA 1.293 53.994 53.050 -0.582 0.000 0.845 308 N CB 0.145 38.267 38.487 -0.608 0.000 1.064 308 N HN 0.618 nan 8.380 nan 0.000 0.471 309 G N 3.461 111.936 108.800 -0.542 0.000 2.372 309 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.297 309 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.297 309 G C -0.437 174.339 174.900 -0.208 0.000 1.005 309 G CA 0.127 45.026 45.100 -0.334 0.000 1.173 309 G HN 0.545 nan 8.290 nan 0.000 0.511 310 M N 0.604 120.088 119.600 -0.194 0.000 2.124 310 M HA 0.251 4.731 4.480 -0.000 0.000 0.280 310 M C 0.552 176.961 176.300 0.182 0.000 0.954 310 M CA -0.627 54.646 55.300 -0.045 0.000 0.958 310 M CB 1.577 34.125 32.600 -0.087 0.000 1.611 310 M HN 0.484 nan 8.290 nan 0.000 0.449 311 Q N 1.011 120.924 119.800 0.188 0.000 2.394 311 Q HA 0.018 4.358 4.340 -0.000 0.000 0.303 311 Q C -0.545 175.727 176.000 0.454 0.000 1.117 311 Q CA 0.687 56.680 55.803 0.318 0.000 0.966 311 Q CB 0.626 29.470 28.738 0.176 0.000 1.275 311 Q HN 0.444 nan 8.270 nan 0.000 0.429 312 F N 1.393 121.516 119.950 0.288 0.000 2.445 312 F HA 0.131 4.658 4.527 -0.000 0.000 0.359 312 F C -0.299 175.575 175.800 0.124 0.000 1.101 312 F CA -0.071 57.910 58.000 -0.032 0.000 1.177 312 F CB 0.717 39.598 39.000 -0.198 0.000 1.110 312 F HN 0.246 nan 8.300 nan 0.000 0.522 313 S N 3.677 119.067 115.700 -0.518 0.000 2.509 313 S HA 0.589 5.059 4.470 -0.000 0.000 0.297 313 S C -0.050 174.191 174.600 -0.597 0.000 1.118 313 S CA -0.615 57.375 58.200 -0.350 0.000 1.074 313 S CB 1.409 64.517 63.200 -0.154 0.000 1.038 313 S HN 0.789 nan 8.310 nan 0.000 0.498 314 T N -0.316 114.129 114.554 -0.182 0.000 2.938 314 T HA 0.401 4.751 4.350 -0.000 0.000 0.285 314 T C 1.053 175.849 174.700 0.161 0.000 1.028 314 T CA -0.918 61.172 62.100 -0.016 0.000 1.005 314 T CB 0.704 69.759 68.868 0.312 0.000 1.157 314 T HN 0.776 nan 8.240 nan 0.000 0.550 315 W N 2.055 123.367 121.300 0.019 0.000 2.421 315 W HA 0.037 4.697 4.660 -0.000 0.000 0.270 315 W C -0.520 176.016 176.519 0.028 0.000 1.233 315 W CA 1.579 58.940 57.345 0.027 0.000 1.226 315 W CB -0.912 28.573 29.460 0.042 0.000 1.121 315 W HN 0.756 nan 8.180 nan 0.000 0.579 316 D N -0.452 120.105 120.400 0.262 0.000 2.997 316 D HA 0.173 4.813 4.640 -0.000 0.000 0.362 316 D C -0.828 175.509 176.300 0.061 0.000 1.298 316 D CA -0.436 53.578 54.000 0.023 0.000 0.756 316 D CB -1.345 39.469 40.800 0.024 0.000 1.216 316 D HN 0.271 nan 8.370 nan 0.000 0.496 317 N N 1.402 120.116 118.700 0.023 0.000 4.004 317 N HA -0.041 4.699 4.740 -0.000 0.000 0.124 317 N C -2.088 173.392 175.510 -0.050 0.000 1.274 317 N CA -0.342 52.658 53.050 -0.084 0.000 1.629 317 N CB 0.268 38.632 38.487 -0.205 0.000 1.685 317 N HN 0.241 nan 8.380 nan 0.000 0.741 318 D N 0.750 121.119 120.400 -0.051 0.000 2.303 318 D HA 0.221 4.861 4.640 -0.000 0.000 0.236 318 D C -0.437 175.846 176.300 -0.028 0.000 1.068 318 D CA -0.468 53.514 54.000 -0.030 0.000 0.830 318 D CB 1.148 41.938 40.800 -0.016 0.000 1.109 318 D HN 0.228 nan 8.370 nan 0.000 0.496 319 N N 1.658 120.356 118.700 -0.003 0.000 2.321 319 N HA 0.027 4.767 4.740 -0.000 0.000 0.242 319 N C -0.250 175.273 175.510 0.022 0.000 1.141 319 N CA -0.416 52.635 53.050 0.001 0.000 0.864 319 N CB 0.451 38.946 38.487 0.012 0.000 1.100 319 N HN 0.491 nan 8.380 nan 0.000 0.510 320 D N -0.048 120.366 120.400 0.024 0.000 2.380 320 D HA 0.032 4.672 4.640 -0.000 0.000 0.254 320 D C 0.020 176.335 176.300 0.025 0.000 1.288 320 D CA -0.045 53.970 54.000 0.026 0.000 1.008 320 D CB 0.860 41.672 40.800 0.020 0.000 1.099 320 D HN -0.194 nan 8.370 nan 0.000 0.537 321 K N 0.138 120.550 120.400 0.020 0.000 2.457 321 K HA 0.314 4.634 4.320 -0.000 0.000 0.226 321 K C -1.001 175.634 176.600 0.058 0.000 1.114 321 K CA -0.543 55.752 56.287 0.013 0.000 1.089 321 K CB -0.524 31.965 32.500 -0.018 0.000 1.739 321 K HN 0.363 nan 8.250 nan 0.000 0.473 322 F N 0.675 120.545 119.950 -0.135 0.000 2.692 322 F HA 0.217 4.744 4.527 -0.000 0.000 0.320 322 F C -0.236 175.478 175.800 -0.143 0.000 1.123 322 F CA -1.149 56.742 58.000 -0.181 0.000 0.961 322 F CB 1.506 40.400 39.000 -0.177 0.000 1.383 322 F HN 0.233 nan 8.300 nan 0.000 0.483 323 E N 1.587 121.002 120.200 -1.308 0.000 2.411 323 E HA 0.546 4.896 4.350 -0.000 0.000 0.228 323 E C 0.162 176.395 176.600 -0.611 0.000 1.169 323 E CA 0.034 55.943 56.400 -0.818 0.000 1.421 323 E CB 0.259 29.489 29.700 -0.783 0.000 1.333 323 E HN 0.895 nan 8.360 nan 0.000 0.434 324 G N 1.495 110.236 108.800 -0.098 0.000 2.344 324 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.282 324 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.282 324 G C -1.773 173.358 174.900 0.386 0.000 1.281 324 G CA -0.976 44.258 45.100 0.223 0.000 0.877 324 G HN 0.191 nan 8.290 nan 0.000 0.494 325 N N -0.093 118.728 118.700 0.202 0.000 2.546 325 N HA 0.330 5.070 4.740 -0.000 0.000 0.238 325 N C 1.109 176.594 175.510 -0.042 0.000 0.984 325 N CA -0.513 52.574 53.050 0.061 0.000 0.935 325 N CB 0.937 39.423 38.487 -0.000 0.000 1.122 325 N HN 0.471 nan 8.380 nan 0.000 0.510 326 c N 2.697 121.178 118.600 -0.197 0.000 2.429 326 c HA -0.147 4.423 4.570 -0.000 0.000 0.277 326 c C 2.744 176.814 174.090 -0.033 0.000 1.262 326 c CA 1.225 57.379 56.329 -0.291 0.000 1.733 326 c CB -1.242 41.047 42.510 -0.370 0.000 2.010 326 c HN 0.922 nan 8.230 nan 0.000 0.483 327 A N 0.524 123.357 122.820 0.022 0.000 1.870 327 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 327 A C 2.219 179.914 177.584 0.185 0.000 1.224 327 A CA 2.460 54.568 52.037 0.118 0.000 0.650 327 A CB -0.857 18.177 19.000 0.056 0.000 0.836 327 A HN 0.625 nan 8.150 nan 0.000 0.454 328 E N -0.718 119.580 120.200 0.164 0.000 2.051 328 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 328 E C 2.200 178.898 176.600 0.163 0.000 0.991 328 E CA 1.404 57.930 56.400 0.211 0.000 0.799 328 E CB -0.443 29.267 29.700 0.016 0.000 0.748 328 E HN 0.628 nan 8.360 nan 0.000 0.449 329 Q N -0.030 119.826 119.800 0.093 0.000 2.290 329 Q HA -0.189 4.151 4.340 -0.000 0.000 0.211 329 Q C 0.807 176.900 176.000 0.155 0.000 0.991 329 Q CA 1.608 57.473 55.803 0.104 0.000 0.893 329 Q CB 0.040 28.799 28.738 0.034 0.000 0.913 329 Q HN 0.358 nan 8.270 nan 0.000 0.428 330 D N -2.056 118.455 120.400 0.186 0.000 2.474 330 D HA 0.141 4.781 4.640 -0.000 0.000 0.213 330 D C 0.146 176.579 176.300 0.221 0.000 1.120 330 D CA 0.664 54.811 54.000 0.244 0.000 0.836 330 D CB 0.867 41.906 40.800 0.397 0.000 1.019 330 D HN 0.247 nan 8.370 nan 0.000 0.507 331 G N 2.069 111.007 108.800 0.230 0.000 2.686 331 G HA2 0.003 3.963 3.960 -0.000 0.000 0.211 331 G HA3 0.003 3.963 3.960 -0.000 0.000 0.211 331 G C 0.162 175.169 174.900 0.178 0.000 0.829 331 G CA 0.568 45.802 45.100 0.224 0.000 0.993 331 G HN 0.586 nan 8.290 nan 0.000 0.330 332 S N 0.393 116.221 115.700 0.213 0.000 2.621 332 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 332 S C -0.042 174.663 174.600 0.174 0.000 1.131 332 S CA 0.010 58.330 58.200 0.199 0.000 0.962 332 S CB 0.890 64.215 63.200 0.209 0.000 1.199 332 S HN 2.351 nan 8.310 nan 0.000 0.474 333 G N 0.099 108.944 108.800 0.075 0.000 3.829 333 G HA2 0.454 4.414 3.960 -0.000 0.000 0.289 333 G HA3 0.454 4.414 3.960 -0.000 0.000 0.289 333 G C -0.809 173.799 174.900 -0.486 0.000 1.274 333 G CA -0.509 44.302 45.100 -0.482 0.000 0.698 333 G HN 0.595 nan 8.290 nan 0.000 0.488 334 W N 1.063 122.171 121.300 -0.320 0.000 2.600 334 W HA 0.547 5.207 4.660 -0.000 0.000 0.517 334 W C -0.660 175.849 176.519 -0.017 0.000 1.750 334 W CA -1.371 56.001 57.345 0.046 0.000 1.805 334 W CB 1.246 30.848 29.460 0.238 0.000 2.314 334 W HN 0.195 nan 8.180 nan 0.000 0.726 335 W N 4.326 125.590 121.300 -0.061 0.000 1.818 335 W HA 0.178 4.838 4.660 -0.000 0.000 0.334 335 W C -0.239 176.265 176.519 -0.026 0.000 0.753 335 W CA -0.563 56.749 57.345 -0.056 0.000 1.826 335 W CB -0.127 29.160 29.460 -0.287 0.000 2.001 335 W HN -0.050 nan 8.180 nan 0.000 0.324 336 M N 1.210 120.905 119.600 0.159 0.000 2.245 336 M HA -0.062 4.418 4.480 -0.000 0.000 0.312 336 M C 0.763 177.044 176.300 -0.031 0.000 1.070 336 M CA 1.111 56.452 55.300 0.068 0.000 1.162 336 M CB 0.180 32.782 32.600 0.003 0.000 1.448 336 M HN 0.227 nan 8.290 nan 0.000 0.446 337 N N 0.824 119.455 118.700 -0.116 0.000 3.614 337 N HA 0.233 4.973 4.740 -0.000 0.000 0.341 337 N C -0.936 174.504 175.510 -0.116 0.000 1.567 337 N CA -0.447 52.530 53.050 -0.122 0.000 0.641 337 N CB 0.734 39.097 38.487 -0.207 0.000 2.734 337 N HN 0.541 nan 8.380 nan 0.000 0.604 338 K N 1.099 121.446 120.400 -0.088 0.000 3.192 338 K HA 0.357 4.677 4.320 -0.000 0.000 0.269 338 K C -0.566 175.852 176.600 -0.303 0.000 1.270 338 K CA -0.138 56.055 56.287 -0.157 0.000 1.249 338 K CB -0.962 31.278 32.500 -0.433 0.000 1.528 338 K HN 0.559 nan 8.250 nan 0.000 0.360 339 c N -1.365 117.010 118.600 -0.374 0.000 0.169 339 c HA -0.214 4.356 4.570 -0.000 0.000 0.017 339 c C -0.337 173.623 174.090 -0.216 0.000 0.171 339 c CA 0.357 56.431 56.329 -0.425 0.000 0.499 339 c CB -1.544 40.568 42.510 -0.662 0.000 3.212 339 c HN 0.991 nan 8.230 nan 0.000 1.118 340 H N -0.583 118.467 119.070 -0.033 0.000 2.917 340 H HA 0.764 5.320 4.556 -0.000 0.000 0.269 340 H C -0.786 174.764 175.328 0.370 0.000 1.488 340 H CA -0.019 56.149 56.048 0.200 0.000 1.173 340 H CB 1.035 30.984 29.762 0.312 0.000 1.868 340 H HN 2.438 nan 8.280 nan 0.000 0.600 341 A N -0.381 122.951 122.820 0.853 0.000 2.364 341 A HA 0.574 4.894 4.320 -0.000 0.000 0.303 341 A C 0.236 177.943 177.584 0.205 0.000 1.078 341 A CA 0.095 52.473 52.037 0.569 0.000 0.970 341 A CB -0.413 18.928 19.000 0.569 0.000 1.497 341 A HN 2.195 nan 8.150 nan 0.000 0.376 342 G N 1.390 110.271 108.800 0.135 0.000 2.565 342 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.156 342 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.156 342 G C -0.437 174.558 174.900 0.158 0.000 1.074 342 G CA -0.034 45.138 45.100 0.119 0.000 0.804 342 G HN 1.247 nan 8.290 nan 0.000 0.496 343 H N 0.812 119.725 119.070 -0.261 0.000 2.969 343 H HA 0.467 5.023 4.556 -0.000 0.000 0.269 343 H C 1.536 176.431 175.328 -0.722 0.000 1.223 343 H CA -0.642 54.904 56.048 -0.838 0.000 1.400 343 H CB 0.477 29.790 29.762 -0.748 0.000 1.500 343 H HN 0.279 nan 8.280 nan 0.000 0.486 344 L N 2.916 123.466 121.223 -1.121 0.000 2.262 344 L HA -0.029 4.311 4.340 -0.000 0.000 0.197 344 L C 1.598 178.154 176.870 -0.524 0.000 1.073 344 L CA 0.133 54.598 54.840 -0.624 0.000 0.800 344 L CB -0.236 41.626 42.059 -0.329 0.000 0.987 344 L HN 0.541 nan 8.230 nan 0.000 0.470 345 N N 1.009 119.399 118.700 -0.516 0.000 2.635 345 N HA -0.040 4.700 4.740 -0.000 0.000 0.191 345 N C 0.836 176.232 175.510 -0.191 0.000 1.155 345 N CA 0.487 53.463 53.050 -0.124 0.000 0.927 345 N CB -0.361 38.291 38.487 0.275 0.000 0.976 345 N HN 0.301 nan 8.380 nan 0.000 0.448 346 G N -0.622 107.851 108.800 -0.544 0.000 2.525 346 G HA2 0.197 4.157 3.960 -0.000 0.000 0.276 346 G HA3 0.197 4.157 3.960 -0.000 0.000 0.276 346 G C -0.270 174.479 174.900 -0.251 0.000 1.388 346 G CA -0.537 44.145 45.100 -0.696 0.000 1.050 346 G HN 0.035 nan 8.290 nan 0.000 0.520 347 V N 0.493 120.292 119.914 -0.192 0.000 2.420 347 V HA -0.014 4.106 4.120 -0.000 0.000 0.274 347 V C -0.040 176.081 176.094 0.045 0.000 1.003 347 V CA -0.201 62.059 62.300 -0.067 0.000 1.092 347 V CB -0.793 30.992 31.823 -0.065 0.000 1.002 347 V HN 0.432 nan 8.190 nan 0.000 0.473 348 Y N 6.248 126.513 120.300 -0.059 0.000 2.465 348 Y HA 0.327 4.877 4.550 -0.000 0.000 0.331 348 Y C -0.226 175.667 175.900 -0.012 0.000 1.102 348 Y CA -0.308 57.819 58.100 0.045 0.000 1.358 348 Y CB 0.231 38.724 38.460 0.055 0.000 1.213 348 Y HN 0.579 nan 8.280 nan 0.000 0.525 349 Y N 3.821 124.156 120.300 0.057 0.000 2.352 349 Y HA 0.278 4.828 4.550 -0.000 0.000 0.339 349 Y C -0.170 175.780 175.900 0.083 0.000 0.992 349 Y CA -0.973 57.179 58.100 0.086 0.000 1.100 349 Y CB 1.360 39.844 38.460 0.039 0.000 1.192 349 Y HN 0.450 nan 8.280 nan 0.000 0.458 350 Q N 2.129 122.025 119.800 0.161 0.000 2.348 350 Q HA 0.375 4.715 4.340 -0.000 0.000 0.251 350 Q C 0.815 176.587 176.000 -0.379 0.000 1.113 350 Q CA 1.090 56.880 55.803 -0.021 0.000 0.902 350 Q CB 0.335 29.081 28.738 0.014 0.000 1.333 350 Q HN 0.969 nan 8.270 nan 0.000 0.457 351 G N 1.033 109.148 108.800 -1.142 0.000 2.376 351 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.208 351 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.208 351 G C 0.721 174.528 174.900 -1.821 0.000 1.032 351 G CA 0.012 44.290 45.100 -1.371 0.000 0.641 351 G HN 1.328 nan 8.290 nan 0.000 0.503 352 G N -0.768 107.431 108.800 -1.002 0.000 4.013 352 G HA2 0.178 4.138 3.960 -0.000 0.000 0.255 352 G HA3 0.178 4.138 3.960 -0.000 0.000 0.255 352 G C 1.130 175.778 174.900 -0.419 0.000 1.765 352 G CA 1.464 46.209 45.100 -0.591 0.000 1.396 352 G HN 2.364 nan 8.290 nan 0.000 0.605 353 T N 1.494 115.722 114.554 -0.543 0.000 2.704 353 T HA 0.410 4.760 4.350 -0.000 0.000 0.271 353 T C 0.224 174.776 174.700 -0.247 0.000 1.000 353 T CA 0.951 62.856 62.100 -0.324 0.000 1.216 353 T CB -0.473 68.268 68.868 -0.212 0.000 0.961 353 T HN 1.620 nan 8.240 nan 0.000 0.515 354 Y N 1.657 121.773 120.300 -0.307 0.000 2.730 354 Y HA 0.835 5.385 4.550 -0.000 0.000 0.325 354 Y C 0.115 175.919 175.900 -0.160 0.000 1.132 354 Y CA -1.107 56.789 58.100 -0.341 0.000 1.206 354 Y CB 0.998 38.928 38.460 -0.883 0.000 1.390 354 Y HN 0.767 nan 8.280 nan 0.000 0.555 355 S N -0.747 115.111 115.700 0.263 0.000 2.709 355 S HA 0.329 4.799 4.470 -0.000 0.000 0.302 355 S C -0.147 174.631 174.600 0.297 0.000 1.127 355 S CA -1.148 57.118 58.200 0.109 0.000 0.905 355 S CB 1.766 64.951 63.200 -0.024 0.000 1.151 355 S HN 0.819 nan 8.310 nan 0.000 0.510 356 K N -0.152 120.342 120.400 0.158 0.000 2.591 356 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 356 K C 1.073 177.739 176.600 0.109 0.000 1.026 356 K CA 0.445 56.848 56.287 0.194 0.000 1.127 356 K CB -0.746 31.845 32.500 0.152 0.000 0.871 356 K HN 0.654 nan 8.250 nan 0.000 0.507 357 A N -0.044 122.838 122.820 0.103 0.000 1.963 357 A HA -0.028 4.292 4.320 -0.000 0.000 0.207 357 A C 1.916 179.545 177.584 0.076 0.000 1.243 357 A CA 0.750 52.827 52.037 0.065 0.000 0.728 357 A CB -0.200 18.826 19.000 0.044 0.000 0.895 357 A HN 0.422 nan 8.150 nan 0.000 0.467 358 S N 0.711 116.482 115.700 0.118 0.000 2.436 358 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 358 S C 1.199 175.851 174.600 0.086 0.000 1.014 358 S CA 1.017 59.284 58.200 0.113 0.000 0.950 358 S CB -1.591 61.734 63.200 0.207 0.000 0.784 358 S HN 0.824 nan 8.310 nan 0.000 0.504 359 T N 1.438 116.055 114.554 0.105 0.000 2.642 359 T HA 0.159 4.509 4.350 -0.000 0.000 0.258 359 T C -1.544 173.182 174.700 0.043 0.000 1.022 359 T CA -0.905 61.246 62.100 0.085 0.000 1.266 359 T CB -0.080 68.873 68.868 0.141 0.000 0.987 359 T HN 0.063 nan 8.240 nan 0.000 0.518 360 P HA -0.193 nan 4.420 nan 0.000 0.210 360 P C 1.076 178.378 177.300 0.004 0.000 1.151 360 P CA 1.579 64.696 63.100 0.028 0.000 0.949 360 P CB -0.025 31.705 31.700 0.049 0.000 0.786 361 N N -2.699 115.997 118.700 -0.007 0.000 2.422 361 N HA 0.191 4.931 4.740 -0.000 0.000 0.181 361 N C 1.254 176.631 175.510 -0.223 0.000 1.080 361 N CA 1.140 54.146 53.050 -0.074 0.000 0.893 361 N CB 0.233 38.703 38.487 -0.027 0.000 0.973 361 N HN 0.334 nan 8.380 nan 0.000 0.456 362 G N -1.253 107.440 108.800 -0.179 0.000 2.909 362 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.198 362 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.198 362 G C -0.168 174.645 174.900 -0.145 0.000 1.124 362 G CA -0.499 44.456 45.100 -0.242 0.000 0.796 362 G HN 0.147 nan 8.290 nan 0.000 0.489 363 Y N 3.058 123.409 120.300 0.084 0.000 2.219 363 Y HA 0.448 4.998 4.550 -0.000 0.000 0.375 363 Y C 1.112 177.094 175.900 0.135 0.000 1.333 363 Y CA -0.402 57.735 58.100 0.063 0.000 1.799 363 Y CB 0.044 38.485 38.460 -0.032 0.000 1.611 363 Y HN 0.374 nan 8.280 nan 0.000 0.635 364 D N -0.334 120.240 120.400 0.290 0.000 2.302 364 D HA 0.087 4.727 4.640 -0.000 0.000 0.248 364 D C -0.447 176.129 176.300 0.460 0.000 1.094 364 D CA -0.369 53.845 54.000 0.355 0.000 0.897 364 D CB 0.663 41.553 40.800 0.150 0.000 1.200 364 D HN 0.884 nan 8.370 nan 0.000 0.429 365 N N 0.675 119.644 118.700 0.447 0.000 1.938 365 N HA 0.131 4.871 4.740 -0.000 0.000 0.225 365 N C 0.933 176.550 175.510 0.178 0.000 1.400 365 N CA -0.673 52.632 53.050 0.425 0.000 0.772 365 N CB 0.224 38.874 38.487 0.272 0.000 1.124 365 N HN 0.400 nan 8.380 nan 0.000 0.513 366 G N 1.504 110.439 108.800 0.225 0.000 2.468 366 G HA2 0.334 4.294 3.960 -0.000 0.000 0.264 366 G HA3 0.334 4.294 3.960 -0.000 0.000 0.264 366 G C -0.010 174.971 174.900 0.135 0.000 1.460 366 G CA -0.523 44.724 45.100 0.244 0.000 1.060 366 G HN 0.173 nan 8.290 nan 0.000 0.543 367 I N 1.757 122.439 120.570 0.187 0.000 2.257 367 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 367 I C 0.349 176.592 176.117 0.210 0.000 1.137 367 I CA 0.046 61.400 61.300 0.090 0.000 1.255 367 I CB -0.511 37.508 38.000 0.031 0.000 1.485 367 I HN 0.275 nan 8.210 nan 0.000 0.534 368 I N 1.161 121.863 120.570 0.220 0.000 3.062 368 I HA 0.569 4.739 4.170 -0.000 0.000 0.316 368 I C -0.656 175.713 176.117 0.420 0.000 1.041 368 I CA -0.550 60.920 61.300 0.284 0.000 1.069 368 I CB 2.508 40.645 38.000 0.229 0.000 1.300 368 I HN 0.548 nan 8.210 nan 0.000 0.518 369 W N 2.758 124.140 121.300 0.136 0.000 1.451 369 W HA 0.294 4.954 4.660 -0.000 0.000 0.320 369 W C 0.353 176.891 176.519 0.031 0.000 1.013 369 W CA -0.101 57.324 57.345 0.134 0.000 0.886 369 W CB 0.994 30.575 29.460 0.201 0.000 0.862 369 W HN 0.916 nan 8.180 nan 0.000 0.329 370 A N 1.451 124.211 122.820 -0.100 0.000 2.067 370 A HA -0.285 4.035 4.320 -0.000 0.000 0.224 370 A C 1.566 178.725 177.584 -0.707 0.000 1.172 370 A CA 2.787 54.506 52.037 -0.531 0.000 0.662 370 A CB -0.709 17.699 19.000 -0.987 0.000 0.814 370 A HN 0.601 nan 8.150 nan 0.000 0.468 371 T N -7.013 107.363 114.554 -0.297 0.000 3.327 371 T HA 0.356 4.706 4.350 -0.000 0.000 0.241 371 T C 0.127 175.081 174.700 0.423 0.000 0.907 371 T CA 0.308 62.421 62.100 0.022 0.000 0.931 371 T CB -0.207 68.700 68.868 0.064 0.000 1.112 371 T HN 0.685 nan 8.240 nan 0.000 0.589 372 W N 0.445 121.801 121.300 0.093 0.000 4.216 372 W HA 0.261 4.921 4.660 -0.000 0.000 0.150 372 W C -1.286 175.206 176.519 -0.045 0.000 0.816 372 W CA -0.087 57.299 57.345 0.068 0.000 1.544 372 W CB 0.339 29.864 29.460 0.108 0.000 0.507 372 W HN -0.020 nan 8.180 nan 0.000 0.999 373 K N 0.359 120.770 120.400 0.019 0.000 2.433 373 K HA 0.548 4.868 4.320 -0.000 0.000 0.252 373 K C 0.395 176.963 176.600 -0.054 0.000 1.015 373 K CA 0.208 56.359 56.287 -0.227 0.000 0.860 373 K CB 1.027 33.245 32.500 -0.469 0.000 1.359 373 K HN -0.018 nan 8.250 nan 0.000 0.452 374 T N -2.175 112.365 114.554 -0.023 0.000 2.833 374 T HA 0.176 4.526 4.350 -0.000 0.000 0.312 374 T C 1.224 175.929 174.700 0.008 0.000 1.085 374 T CA -0.268 61.846 62.100 0.023 0.000 0.955 374 T CB 0.519 69.441 68.868 0.091 0.000 1.353 374 T HN 0.677 nan 8.240 nan 0.000 0.544 375 R N -0.966 119.430 120.500 -0.172 0.000 2.276 375 R HA 0.048 4.388 4.340 -0.000 0.000 0.203 375 R C 1.581 177.664 176.300 -0.362 0.000 1.017 375 R CA 0.370 56.307 56.100 -0.271 0.000 1.010 375 R CB -0.122 29.829 30.300 -0.581 0.000 0.900 375 R HN 0.675 nan 8.270 nan 0.000 0.469 376 W N 0.525 121.676 121.300 -0.249 0.000 2.630 376 W HA 0.114 4.774 4.660 -0.000 0.000 0.271 376 W C 0.443 176.530 176.519 -0.719 0.000 1.244 376 W CA -0.459 56.423 57.345 -0.772 0.000 1.353 376 W CB -0.429 28.725 29.460 -0.510 0.000 1.080 376 W HN -0.048 nan 8.180 nan 0.000 0.594 377 Y N 2.395 122.613 120.300 -0.137 0.000 2.436 377 Y HA 0.220 4.770 4.550 -0.000 0.000 0.343 377 Y C 0.633 176.558 175.900 0.041 0.000 1.008 377 Y CA 0.127 58.191 58.100 -0.060 0.000 1.241 377 Y CB 0.737 39.189 38.460 -0.014 0.000 1.153 377 Y HN -0.329 nan 8.280 nan 0.000 0.521 378 S N 6.685 122.457 115.700 0.121 0.000 2.654 378 S HA 0.564 5.034 4.470 -0.000 0.000 0.283 378 S C -0.149 174.637 174.600 0.309 0.000 1.180 378 S CA -1.054 57.304 58.200 0.263 0.000 1.021 378 S CB 0.529 63.901 63.200 0.286 0.000 1.018 378 S HN 0.744 nan 8.310 nan 0.000 0.532 379 M N 2.896 122.620 119.600 0.207 0.000 2.363 379 M HA 0.435 4.915 4.480 -0.000 0.000 0.280 379 M C 1.048 177.046 176.300 -0.504 0.000 1.182 379 M CA -0.459 54.818 55.300 -0.039 0.000 0.974 379 M CB 0.523 33.113 32.600 -0.016 0.000 1.452 379 M HN 0.851 nan 8.290 nan 0.000 0.507 380 K N 0.627 120.373 120.400 -1.091 0.000 2.344 380 K HA 0.150 4.470 4.320 -0.000 0.000 0.229 380 K C -0.002 176.304 176.600 -0.490 0.000 1.112 380 K CA 0.207 55.711 56.287 -1.306 0.000 0.850 380 K CB 0.525 31.736 32.500 -2.148 0.000 1.311 380 K HN 0.338 nan 8.250 nan 0.000 0.448 381 K N 1.649 121.815 120.400 -0.390 0.000 2.237 381 K HA 0.173 4.493 4.320 -0.000 0.000 0.270 381 K C -0.742 175.773 176.600 -0.141 0.000 1.015 381 K CA 0.189 56.375 56.287 -0.168 0.000 0.949 381 K CB 1.454 33.870 32.500 -0.141 0.000 0.976 381 K HN 0.290 nan 8.250 nan 0.000 0.472 382 T N 0.649 115.144 114.554 -0.098 0.000 3.759 382 T HA 0.011 4.361 4.350 -0.000 0.000 0.220 382 T C -0.098 174.527 174.700 -0.125 0.000 0.703 382 T CA -0.411 61.620 62.100 -0.115 0.000 1.428 382 T CB 0.466 69.270 68.868 -0.107 0.000 0.942 382 T HN 0.685 nan 8.240 nan 0.000 0.580 383 T N 1.388 115.856 114.554 -0.142 0.000 2.833 383 T HA 0.862 5.212 4.350 -0.000 0.000 0.312 383 T C -0.284 174.285 174.700 -0.219 0.000 1.085 383 T CA -0.330 61.667 62.100 -0.172 0.000 0.955 383 T CB 0.610 69.396 68.868 -0.136 0.000 1.353 383 T HN 0.460 nan 8.240 nan 0.000 0.544 384 M N 1.469 120.892 119.600 -0.295 0.000 2.363 384 M HA 0.279 4.759 4.480 -0.000 0.000 0.256 384 M C -1.889 174.282 176.300 -0.216 0.000 1.005 384 M CA -0.644 54.470 55.300 -0.311 0.000 0.890 384 M CB 1.921 34.095 32.600 -0.709 0.000 2.101 384 M HN 0.781 nan 8.290 nan 0.000 0.476 385 K N 3.355 123.894 120.400 0.232 0.000 2.523 385 K HA 0.788 5.108 4.320 -0.000 0.000 0.257 385 K C -0.892 175.905 176.600 0.328 0.000 0.932 385 K CA -1.027 55.478 56.287 0.364 0.000 0.812 385 K CB 2.459 35.042 32.500 0.139 0.000 1.326 385 K HN 0.693 nan 8.250 nan 0.000 0.433 386 I N 0.491 121.171 120.570 0.182 0.000 3.468 386 I HA 0.686 4.856 4.170 -0.000 0.000 0.299 386 I C -0.128 176.116 176.117 0.211 0.000 1.141 386 I CA -0.913 60.400 61.300 0.022 0.000 0.950 386 I CB 0.950 38.878 38.000 -0.120 0.000 1.522 386 I HN 0.882 nan 8.210 nan 0.000 0.699 387 I N -0.315 120.337 120.570 0.137 0.000 2.397 387 I HA 0.231 4.401 4.170 -0.000 0.000 0.311 387 I C -2.988 172.900 176.117 -0.382 0.000 2.151 387 I CA -1.179 60.036 61.300 -0.142 0.000 0.931 387 I CB 1.900 39.565 38.000 -0.558 0.000 1.653 387 I HN 0.432 nan 8.210 nan 0.000 0.634 388 P HA 0.149 nan 4.420 nan 0.000 0.271 388 P C -0.222 176.879 177.300 -0.330 0.000 1.218 388 P CA 0.036 62.728 63.100 -0.681 0.000 0.780 388 P CB 0.343 31.722 31.700 -0.534 0.000 0.901 389 F N 3.490 123.225 119.950 -0.359 0.000 2.187 389 F HA -0.090 4.437 4.527 -0.000 0.000 0.295 389 F C 1.614 177.303 175.800 -0.185 0.000 1.091 389 F CA 1.092 58.962 58.000 -0.216 0.000 1.308 389 F CB -0.600 38.330 39.000 -0.117 0.000 1.030 389 F HN 0.284 nan 8.300 nan 0.000 0.487 390 N N 1.515 120.065 118.700 -0.250 0.000 2.648 390 N HA -0.143 4.597 4.740 -0.000 0.000 0.210 390 N C 0.167 175.492 175.510 -0.307 0.000 1.464 390 N CA 0.501 53.364 53.050 -0.312 0.000 0.890 390 N CB -0.714 37.669 38.487 -0.173 0.000 1.179 390 N HN 0.512 nan 8.380 nan 0.000 0.476 391 R N -0.684 119.601 120.500 -0.359 0.000 2.504 391 R HA 0.205 4.545 4.340 -0.000 0.000 0.396 391 R C -0.348 175.761 176.300 -0.318 0.000 0.896 391 R CA -0.368 55.544 56.100 -0.313 0.000 1.152 391 R CB 0.438 30.545 30.300 -0.321 0.000 1.681 391 R HN 0.135 nan 8.270 nan 0.000 0.537 392 L N 1.896 122.900 121.223 -0.364 0.000 2.259 392 L HA 0.265 4.604 4.340 -0.000 0.000 0.288 392 L C -0.574 176.152 176.870 -0.240 0.000 1.051 392 L CA 0.552 55.229 54.840 -0.271 0.000 0.824 392 L CB 0.795 42.717 42.059 -0.228 0.000 1.206 392 L HN 0.264 nan 8.230 nan 0.000 0.429 393 T N 3.457 117.918 114.554 -0.156 0.000 4.694 393 T HA -0.195 4.155 4.350 -0.000 0.000 0.310 393 T C 0.839 175.459 174.700 -0.134 0.000 1.051 393 T CA 0.897 62.924 62.100 -0.121 0.000 2.243 393 T CB -1.607 67.193 68.868 -0.113 0.000 1.862 393 T HN 0.671 nan 8.240 nan 0.000 0.998 394 I N 1.191 121.673 120.570 -0.147 0.000 2.179 394 I HA 0.142 4.312 4.170 -0.000 0.000 0.242 394 I C 2.259 178.316 176.117 -0.100 0.000 1.088 394 I CA 2.984 64.201 61.300 -0.139 0.000 1.357 394 I CB -0.817 37.094 38.000 -0.149 0.000 1.051 394 I HN 0.806 nan 8.210 nan 0.000 0.409 395 G N -0.480 108.271 108.800 -0.081 0.000 2.480 395 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.246 395 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.246 395 G C 0.784 175.650 174.900 -0.057 0.000 1.073 395 G CA 0.686 45.750 45.100 -0.061 0.000 0.643 395 G HN 0.494 nan 8.290 nan 0.000 0.525 396 E N 0.000 120.160 120.200 -0.067 0.000 2.725 396 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 396 E CA 0.000 56.363 56.400 -0.061 0.000 0.976 396 E CB 0.000 29.662 29.700 -0.063 0.000 0.812 396 E HN 0.000 nan 8.360 nan 0.000 0.440