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 1lya_1_B DATA FIRST_RESID 106 DATA SEQUENCE GGVKVERQVF GEATKQPGIT FIAAKFDGIL GMAYPRISVN NVLPVFDNLM DATA SEQUENCE QQKLVDQNIF SFYLSRDPDA QPGGELMLGG TDSKYYKGSL SYLNVTRKAY DATA SEQUENCE WQVHLDQVEV ASGLTLcKEG cEAIVDTGTS LMVGPVDEVR ELQKAIGAVP DATA SEQUENCE LIQGEYMIPc EKVSTLPAIT LKLGGKGYKL SPEDYTLKVS QAGKTLcLSG DATA SEQUENCE FMGMDIPPPS GPLWILGDVF IGRYYTVFDR DNNRVGFAEA A 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 106 G HA2 0.000 nan 3.960 nan 0.000 0.244 106 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 106 G C 0.000 174.905 174.900 0.008 0.000 0.946 106 G CA 0.000 45.107 45.100 0.011 0.000 0.502 107 G N -1.413 107.391 108.800 0.005 0.000 2.301 107 G HA2 -0.108 nan 3.960 nan 0.000 0.290 107 G HA3 -0.108 nan 3.960 nan 0.000 0.290 107 G C -1.551 173.346 174.900 -0.006 0.000 1.669 107 G CA -0.236 44.864 45.100 -0.000 0.000 0.945 107 G HN -0.134 8.160 8.290 0.006 0.000 0.710 108 V N -2.359 117.548 119.914 -0.012 0.000 2.815 108 V HA 0.343 nan 4.120 nan 0.000 0.314 108 V C -0.595 175.484 176.094 -0.026 0.000 1.064 108 V CA -1.244 61.044 62.300 -0.019 0.000 0.952 108 V CB 1.795 33.602 31.823 -0.027 0.000 1.020 108 V HN 0.004 8.185 8.190 -0.014 0.000 0.439 109 K N 2.022 122.405 120.400 -0.028 0.000 2.389 109 K HA 0.231 nan 4.320 nan 0.000 0.261 109 K C -1.253 175.326 176.600 -0.035 0.000 1.014 109 K CA -0.757 55.512 56.287 -0.030 0.000 0.920 109 K CB 0.537 33.023 32.500 -0.023 0.000 1.149 109 K HN 0.220 8.454 8.250 -0.026 0.000 0.444 110 V N 5.661 125.550 119.914 -0.041 0.000 2.406 110 V HA 0.158 nan 4.120 nan 0.000 0.272 110 V C -0.626 175.451 176.094 -0.028 0.000 1.043 110 V CA -0.617 61.659 62.300 -0.041 0.000 0.915 110 V CB 0.359 32.154 31.823 -0.047 0.000 0.988 110 V HN 0.456 8.619 8.190 -0.044 0.000 0.466 111 E N 6.942 127.131 120.200 -0.019 0.000 2.227 111 E HA 0.276 nan 4.350 nan 0.000 0.268 111 E C -0.521 176.083 176.600 0.007 0.000 0.990 111 E CA -1.082 55.314 56.400 -0.006 0.000 0.856 111 E CB 1.701 31.397 29.700 -0.006 0.000 1.159 111 E HN -0.158 8.486 8.360 -0.022 -0.297 0.401 112 R N -2.315 118.199 120.500 0.024 0.000 3.336 112 R HA -0.303 nan 4.340 nan 0.000 0.260 112 R C -1.104 175.229 176.300 0.055 0.000 1.032 112 R CA 0.409 56.532 56.100 0.039 0.000 0.693 112 R CB -1.538 28.775 30.300 0.022 0.000 1.134 112 R HN 0.248 8.532 8.270 0.024 0.000 0.433 113 Q N -0.922 118.929 119.800 0.085 0.000 2.257 113 Q HA 0.104 nan 4.340 nan 0.000 0.255 113 Q C -0.819 175.321 176.000 0.233 0.000 0.920 113 Q CA -0.537 55.336 55.803 0.118 0.000 0.927 113 Q CB 1.109 29.896 28.738 0.083 0.000 1.229 113 Q HN -0.257 8.064 8.270 0.085 0.000 0.433 114 V N 6.140 126.152 119.914 0.163 0.000 2.465 114 V HA 0.235 nan 4.120 nan 0.000 0.279 114 V C -0.841 175.367 176.094 0.190 0.000 1.045 114 V CA 0.150 62.518 62.300 0.114 0.000 0.938 114 V CB 0.241 32.073 31.823 0.015 0.000 0.986 114 V HN 0.413 8.668 8.190 0.107 0.000 0.467 115 F N 4.121 124.065 119.950 -0.009 0.000 2.662 115 F HA 0.383 nan 4.527 nan 0.000 0.312 115 F C -0.916 174.877 175.800 -0.012 0.000 1.113 115 F CA -1.799 56.195 58.000 -0.011 0.000 0.951 115 F CB 1.775 40.768 39.000 -0.012 0.000 1.344 115 F HN -0.040 8.011 8.300 -0.415 0.000 0.462 116 G N -0.705 108.067 108.800 -0.048 0.000 2.371 116 G HA2 0.129 nan 3.960 nan 0.000 0.326 116 G HA3 0.129 nan 3.960 nan 0.000 0.326 116 G C -0.538 174.338 174.900 -0.040 0.000 1.127 116 G CA -0.585 44.437 45.100 -0.130 0.000 0.885 116 G HN 0.125 8.501 8.290 0.144 0.000 0.477 117 E N 1.900 122.036 120.200 -0.107 0.000 2.081 117 E HA 0.010 nan 4.350 nan 0.000 0.276 117 E C -0.852 175.735 176.600 -0.022 0.000 0.950 117 E CA -0.834 55.556 56.400 -0.016 0.000 0.776 117 E CB 0.974 30.650 29.700 -0.040 0.000 1.094 117 E HN 0.279 8.536 8.360 -0.172 0.000 0.402 118 A N 4.207 127.023 122.820 -0.007 0.000 2.409 118 A HA 0.170 nan 4.320 nan 0.000 0.267 118 A C 0.284 177.857 177.584 -0.018 0.000 1.127 118 A CA 0.381 52.403 52.037 -0.026 0.000 0.795 118 A CB 0.510 19.477 19.000 -0.055 0.000 1.061 118 A HN 0.423 8.582 8.150 0.014 0.000 0.502 119 T N -0.022 114.523 114.554 -0.016 0.000 2.978 119 T HA 0.045 nan 4.350 nan 0.000 0.248 119 T C 0.488 175.187 174.700 -0.001 0.000 1.018 119 T CA 0.363 62.458 62.100 -0.008 0.000 1.026 119 T CB 0.489 69.352 68.868 -0.009 0.000 1.032 119 T HN 0.345 8.575 8.240 -0.017 0.000 0.485 120 K N 1.292 121.693 120.400 0.001 0.000 2.443 120 K HA 0.289 nan 4.320 nan 0.000 0.252 120 K C -1.552 175.063 176.600 0.024 0.000 0.933 120 K CA -0.084 56.212 56.287 0.015 0.000 0.792 120 K CB 1.769 34.279 32.500 0.017 0.000 1.185 120 K HN -0.140 8.108 8.250 -0.003 0.000 0.425 121 Q N 2.245 122.074 119.800 0.048 0.000 2.695 121 Q HA 0.300 nan 4.340 nan 0.000 0.246 121 Q C -2.432 173.649 176.000 0.136 0.000 0.961 121 Q CA -1.915 53.948 55.803 0.099 0.000 0.708 121 Q CB 0.849 29.637 28.738 0.083 0.000 1.282 121 Q HN 0.211 8.509 8.270 0.046 0.000 0.482 122 P HA -0.016 nan 4.420 nan 0.000 0.268 122 P C -0.283 177.066 177.300 0.082 0.000 1.204 122 P CA 0.038 63.189 63.100 0.085 0.000 0.768 122 P CB 0.330 32.068 31.700 0.064 0.000 0.842 123 G N 2.401 111.228 108.800 0.045 0.000 2.627 123 G HA2 -0.267 nan 3.960 nan 0.000 0.214 123 G HA3 -0.267 nan 3.960 nan 0.000 0.214 123 G C 0.265 175.163 174.900 -0.003 0.000 1.331 123 G CA -0.677 44.429 45.100 0.010 0.000 0.891 123 G HN -0.262 8.054 8.290 0.043 0.000 0.539 124 I N 0.504 121.051 120.570 -0.038 0.000 2.500 124 I HA -0.063 nan 4.170 nan 0.000 0.252 124 I C 1.950 178.004 176.117 -0.105 0.000 1.142 124 I CA 1.365 62.633 61.300 -0.054 0.000 1.451 124 I CB -0.265 37.702 38.000 -0.056 0.000 1.093 124 I HN 0.222 8.407 8.210 -0.042 0.000 0.430 125 T N 1.059 115.501 114.554 -0.187 0.000 2.760 125 T HA -0.290 nan 4.350 nan 0.000 0.269 125 T C 1.133 175.498 174.700 -0.558 0.000 1.047 125 T CA 3.050 64.916 62.100 -0.390 0.000 1.139 125 T CB -0.268 68.308 68.868 -0.487 0.000 0.855 125 T HN 0.152 8.270 8.240 -0.149 0.033 0.471 126 F N -3.336 116.582 119.950 -0.054 0.000 2.721 126 F HA 0.175 nan 4.527 nan 0.000 0.301 126 F C 1.292 177.019 175.800 -0.123 0.000 1.096 126 F CA -0.239 57.697 58.000 -0.106 0.000 1.308 126 F CB 0.322 39.291 39.000 -0.052 0.000 1.086 126 F HN -0.508 7.760 8.300 -0.052 0.000 0.587 127 I N 2.540 123.129 120.570 0.030 0.000 2.226 127 I HA -0.432 nan 4.170 nan 0.000 0.245 127 I C 1.013 177.101 176.117 -0.047 0.000 1.100 127 I CA 2.601 63.899 61.300 -0.003 0.000 1.374 127 I CB -0.307 37.688 38.000 -0.009 0.000 1.057 127 I HN -0.017 8.093 8.210 0.009 0.105 0.413 128 A N -3.193 119.579 122.820 -0.081 0.000 2.208 128 A HA 0.013 nan 4.320 nan 0.000 0.209 128 A C -0.530 176.964 177.584 -0.150 0.000 1.161 128 A CA -0.088 51.890 52.037 -0.098 0.000 0.782 128 A CB 0.019 18.962 19.000 -0.096 0.000 0.816 128 A HN -0.547 7.543 8.150 -0.088 0.007 0.477 129 A N -1.655 121.021 122.820 -0.239 0.000 2.362 129 A HA 0.021 nan 4.320 nan 0.000 0.276 129 A C 0.441 177.774 177.584 -0.418 0.000 1.153 129 A CA -0.223 51.520 52.037 -0.491 0.000 0.813 129 A CB 0.306 18.779 19.000 -0.879 0.000 1.081 129 A HN -0.725 7.129 8.150 -0.186 0.184 0.507 130 K N 2.325 122.560 120.400 -0.275 0.000 2.439 130 K HA -0.128 nan 4.320 nan 0.000 0.197 130 K C -0.434 176.161 176.600 -0.008 0.000 1.041 130 K CA 0.813 57.046 56.287 -0.089 0.000 0.970 130 K CB 0.194 32.706 32.500 0.020 0.000 0.773 130 K HN 0.535 8.658 8.250 -0.212 0.000 0.479 131 F N -2.840 117.150 119.950 0.066 0.000 2.378 131 F HA 0.159 nan 4.527 nan 0.000 0.325 131 F C -0.659 175.173 175.800 0.054 0.000 1.097 131 F CA -1.408 56.626 58.000 0.057 0.000 1.079 131 F CB 0.657 39.695 39.000 0.063 0.000 1.240 131 F HN -0.742 7.090 8.300 -0.682 0.059 0.519 132 D N -0.004 120.556 120.400 0.267 0.000 2.216 132 D HA -0.029 nan 4.640 nan 0.000 0.208 132 D C 0.164 176.561 176.300 0.162 0.000 0.960 132 D CA 0.674 54.761 54.000 0.145 0.000 0.861 132 D CB 0.531 41.381 40.800 0.083 0.000 0.985 132 D HN 0.314 8.845 8.370 0.268 0.000 0.493 133 G N -1.351 107.577 108.800 0.213 0.000 2.782 133 G HA2 0.092 nan 3.960 nan 0.000 0.304 133 G HA3 0.092 nan 3.960 nan 0.000 0.304 133 G C -1.949 172.981 174.900 0.051 0.000 1.315 133 G CA -0.345 44.819 45.100 0.107 0.000 0.791 133 G HN -0.565 7.867 8.290 0.237 0.000 0.519 134 I N 0.305 120.870 120.570 -0.008 0.000 2.545 134 I HA 0.187 nan 4.170 nan 0.000 0.292 134 I C -0.768 175.329 176.117 -0.034 0.000 1.040 134 I CA -0.119 61.145 61.300 -0.060 0.000 1.068 134 I CB 2.107 40.094 38.000 -0.021 0.000 1.251 134 I HN 0.113 8.323 8.210 -0.000 0.000 0.424 135 L N 8.582 129.773 121.223 -0.052 0.000 2.345 135 L HA 0.306 nan 4.340 nan 0.000 0.274 135 L C -0.721 176.127 176.870 -0.037 0.000 0.999 135 L CA -0.427 54.392 54.840 -0.034 0.000 0.849 135 L CB 1.184 43.215 42.059 -0.046 0.000 1.220 135 L HN 0.157 8.338 8.230 -0.083 0.000 0.422 136 G N 2.678 111.471 108.800 -0.012 0.000 2.432 136 G HA2 0.261 nan 3.960 nan 0.000 0.257 136 G HA3 0.261 nan 3.960 nan 0.000 0.257 136 G C -1.181 173.712 174.900 -0.012 0.000 1.238 136 G CA -0.766 44.334 45.100 -0.001 0.000 0.838 136 G HN 0.022 8.313 8.290 0.003 0.000 0.547 137 M N 1.609 121.203 119.600 -0.010 0.000 2.625 137 M HA 0.192 nan 4.480 nan 0.000 0.396 137 M C -1.042 175.359 176.300 0.168 0.000 1.174 137 M CA -0.948 54.328 55.300 -0.040 0.000 0.898 137 M CB 1.121 33.584 32.600 -0.228 0.000 1.450 137 M HN 0.134 8.436 8.290 0.019 0.000 0.522 138 A N -0.796 122.123 122.820 0.166 0.000 2.257 138 A HA 0.497 nan 4.320 nan 0.000 0.290 138 A C -0.908 176.671 177.584 -0.008 0.000 1.201 138 A CA -0.594 51.550 52.037 0.178 0.000 0.863 138 A CB 0.865 19.955 19.000 0.150 0.000 1.256 138 A HN -0.518 7.691 8.150 0.099 0.000 0.506 139 Y N -2.034 118.156 120.300 -0.184 0.000 2.330 139 Y HA -0.072 nan 4.550 nan 0.000 0.341 139 Y C -0.019 175.821 175.900 -0.100 0.000 1.278 139 Y CA -0.129 57.870 58.100 -0.169 0.000 1.453 139 Y CB -0.816 37.478 38.460 -0.277 0.000 1.342 139 Y HN -0.245 8.086 8.280 0.084 0.000 0.590 140 P HA -0.196 nan 4.420 nan 0.000 0.219 140 P C 1.010 178.314 177.300 0.007 0.000 1.146 140 P CA 2.407 65.536 63.100 0.047 0.000 0.808 140 P CB 0.060 31.791 31.700 0.052 0.000 0.779 141 R N -2.911 117.579 120.500 -0.018 0.000 2.117 141 R HA -0.255 nan 4.340 nan 0.000 0.243 141 R C 1.022 177.273 176.300 -0.082 0.000 1.143 141 R CA 2.744 58.805 56.100 -0.065 0.000 0.968 141 R CB -0.211 30.019 30.300 -0.116 0.000 0.863 141 R HN 0.228 8.472 8.270 0.006 0.030 0.444 142 I N -7.263 113.240 120.570 -0.112 0.000 3.864 142 I HA 0.156 nan 4.170 nan 0.000 0.326 142 I C -0.790 175.298 176.117 -0.048 0.000 1.444 142 I CA -1.111 60.118 61.300 -0.118 0.000 1.195 142 I CB -0.708 37.141 38.000 -0.253 0.000 1.124 142 I HN -0.854 7.277 8.210 -0.107 0.014 0.407 143 S N 1.820 117.506 115.700 -0.025 0.000 2.475 143 S HA 0.118 nan 4.470 nan 0.000 0.281 143 S C -0.110 174.490 174.600 -0.000 0.000 1.198 143 S CA -0.961 57.238 58.200 -0.002 0.000 1.063 143 S CB 1.170 64.374 63.200 0.007 0.000 0.972 143 S HN -0.628 7.580 8.310 -0.028 0.085 0.486 144 V N 6.383 126.301 119.914 0.007 0.000 2.479 144 V HA -0.045 nan 4.120 nan 0.000 0.281 144 V C 0.394 176.489 176.094 0.001 0.000 1.031 144 V CA 1.201 63.505 62.300 0.006 0.000 1.038 144 V CB -0.621 31.209 31.823 0.013 0.000 0.981 144 V HN 0.677 8.875 8.190 0.014 0.000 0.478 145 N N 4.059 122.757 118.700 -0.002 0.000 2.829 145 N HA -0.351 nan 4.740 nan 0.000 0.250 145 N C -0.742 174.765 175.510 -0.005 0.000 1.090 145 N CA 0.873 53.919 53.050 -0.006 0.000 0.781 145 N CB -1.440 37.040 38.487 -0.012 0.000 1.124 145 N HN 0.647 9.026 8.380 -0.002 0.000 0.559 146 N N -5.605 113.093 118.700 -0.003 0.000 2.696 146 N HA -0.440 nan 4.740 nan 0.000 0.249 146 N C -0.913 174.600 175.510 0.004 0.000 1.090 146 N CA 1.272 54.322 53.050 -0.000 0.000 0.716 146 N CB -0.523 37.963 38.487 -0.002 0.000 1.020 146 N HN -0.315 8.021 8.380 -0.003 0.042 0.548 147 V N -0.415 119.502 119.914 0.006 0.000 2.485 147 V HA -0.153 nan 4.120 nan 0.000 0.287 147 V C 0.363 176.470 176.094 0.021 0.000 1.022 147 V CA 0.414 62.721 62.300 0.011 0.000 1.067 147 V CB 0.147 31.977 31.823 0.011 0.000 0.967 147 V HN -0.699 7.473 8.190 0.005 0.021 0.479 148 L N 10.110 131.346 121.223 0.022 0.000 2.615 148 L HA 0.048 nan 4.340 nan 0.000 0.271 148 L C -1.947 174.945 176.870 0.036 0.000 1.183 148 L CA -1.601 53.255 54.840 0.028 0.000 0.933 148 L CB -0.070 42.003 42.059 0.023 0.000 1.199 148 L HN 0.125 8.366 8.230 0.019 0.000 0.487 149 P HA -0.102 nan 4.420 nan 0.000 0.270 149 P C -0.161 177.168 177.300 0.049 0.000 1.221 149 P CA -0.171 62.958 63.100 0.049 0.000 0.788 149 P CB 0.478 32.212 31.700 0.056 0.000 0.904 150 V N 0.401 120.342 119.914 0.045 0.000 2.261 150 V HA -0.375 nan 4.120 nan 0.000 0.246 150 V C 1.729 177.847 176.094 0.040 0.000 1.047 150 V CA 4.870 67.187 62.300 0.028 0.000 1.015 150 V CB -0.250 31.579 31.823 0.010 0.000 0.642 150 V HN 0.604 8.819 8.190 0.041 0.000 0.446 151 F N -1.352 118.544 119.950 -0.091 0.000 2.293 151 F HA -0.404 nan 4.527 nan 0.000 0.300 151 F C 0.913 176.701 175.800 -0.021 0.000 1.086 151 F CA 4.103 62.052 58.000 -0.086 0.000 1.375 151 F CB -0.014 38.892 39.000 -0.156 0.000 1.045 151 F HN 0.183 8.584 8.300 0.168 0.000 0.516 152 D N -0.721 119.738 120.400 0.098 0.000 2.149 152 D HA -0.318 nan 4.640 nan 0.000 0.201 152 D C 2.135 178.416 176.300 -0.032 0.000 0.972 152 D CA 4.658 58.685 54.000 0.045 0.000 0.835 152 D CB -0.306 40.534 40.800 0.066 0.000 0.966 152 D HN -0.643 7.675 8.370 0.121 0.125 0.476 153 N N 0.406 119.087 118.700 -0.032 0.000 2.104 153 N HA -0.230 nan 4.740 nan 0.000 0.190 153 N C 2.149 177.598 175.510 -0.102 0.000 1.024 153 N CA 2.955 55.977 53.050 -0.046 0.000 0.853 153 N CB 0.130 38.603 38.487 -0.024 0.000 1.008 153 N HN -0.274 8.104 8.380 -0.004 0.000 0.424 154 L N 0.055 121.170 121.223 -0.181 0.000 2.042 154 L HA -0.425 nan 4.340 nan 0.000 0.210 154 L C 1.687 178.391 176.870 -0.276 0.000 1.076 154 L CA 3.979 58.660 54.840 -0.265 0.000 0.749 154 L CB 0.049 41.825 42.059 -0.472 0.000 0.893 154 L HN 0.172 8.230 8.230 -0.172 0.068 0.432 155 M N -2.589 116.820 119.600 -0.319 0.000 2.132 155 M HA -0.469 nan 4.480 nan 0.000 0.263 155 M C 3.023 179.261 176.300 -0.103 0.000 1.065 155 M CA 3.961 59.134 55.300 -0.212 0.000 1.122 155 M CB -0.261 32.261 32.600 -0.131 0.000 1.365 155 M HN -0.255 7.818 8.290 -0.363 0.000 0.411 156 Q N -1.134 118.618 119.800 -0.079 0.000 2.170 156 Q HA -0.334 nan 4.340 nan 0.000 0.203 156 Q C 1.844 177.818 176.000 -0.043 0.000 0.976 156 Q CA 2.437 58.215 55.803 -0.043 0.000 0.858 156 Q CB -0.050 28.672 28.738 -0.028 0.000 0.907 156 Q HN -0.122 8.094 8.270 -0.091 0.000 0.433 157 Q N -3.903 115.862 119.800 -0.059 0.000 2.403 157 Q HA -0.002 nan 4.340 nan 0.000 0.203 157 Q C -0.502 175.468 176.000 -0.050 0.000 0.932 157 Q CA -0.306 55.468 55.803 -0.047 0.000 0.945 157 Q CB 0.489 29.197 28.738 -0.049 0.000 1.045 157 Q HN -0.435 7.703 8.270 -0.079 0.085 0.511 158 K N -2.265 118.099 120.400 -0.060 0.000 3.148 158 K HA -0.363 nan 4.320 nan 0.000 0.267 158 K C 0.077 176.648 176.600 -0.049 0.000 0.996 158 K CA 1.243 57.500 56.287 -0.050 0.000 0.737 158 K CB -1.876 30.608 32.500 -0.028 0.000 1.308 158 K HN -0.244 7.754 8.250 -0.071 0.210 0.470 159 L N -4.694 116.484 121.223 -0.075 0.000 2.418 159 L HA -0.144 nan 4.340 nan 0.000 0.218 159 L C -0.146 176.695 176.870 -0.049 0.000 1.125 159 L CA 1.438 56.241 54.840 -0.063 0.000 0.835 159 L CB 0.541 42.551 42.059 -0.081 0.000 0.953 159 L HN -0.484 7.683 8.230 -0.105 0.000 0.454 160 V N -8.993 110.890 119.914 -0.052 0.000 3.040 160 V HA 0.195 nan 4.120 nan 0.000 0.312 160 V C -0.176 175.925 176.094 0.011 0.000 1.115 160 V CA -1.535 60.761 62.300 -0.006 0.000 0.998 160 V CB 1.790 33.631 31.823 0.030 0.000 1.042 160 V HN -0.666 7.477 8.190 -0.078 0.000 0.433 161 D N 1.129 121.548 120.400 0.033 0.000 2.097 161 D HA -0.284 nan 4.640 nan 0.000 0.195 161 D C 0.075 176.409 176.300 0.057 0.000 0.989 161 D CA 2.195 56.219 54.000 0.040 0.000 0.827 161 D CB 0.222 41.047 40.800 0.042 0.000 0.966 161 D HN 0.356 8.747 8.370 0.036 0.000 0.456 162 Q N -0.761 119.091 119.800 0.087 0.000 2.333 162 Q HA 0.166 nan 4.340 nan 0.000 0.267 162 Q C -0.760 175.347 176.000 0.177 0.000 1.012 162 Q CA -1.177 54.694 55.803 0.113 0.000 0.824 162 Q CB 2.550 31.357 28.738 0.115 0.000 1.290 162 Q HN -0.447 7.880 8.270 0.096 0.000 0.449 163 N N 5.839 124.663 118.700 0.206 0.000 3.124 163 N HA 0.167 nan 4.740 nan 0.000 0.284 163 N C -1.780 174.044 175.510 0.522 0.000 1.209 163 N CA 0.435 53.709 53.050 0.374 0.000 1.149 163 N CB -1.024 37.638 38.487 0.291 0.000 1.434 163 N HN 0.119 8.863 8.380 0.159 -0.269 0.529 164 I N -5.412 115.466 120.570 0.513 0.000 3.191 164 I HA 0.984 nan 4.170 nan 0.000 0.313 164 I C -2.771 173.537 176.117 0.320 0.000 1.193 164 I CA -1.770 59.676 61.300 0.242 0.000 0.968 164 I CB 4.345 42.404 38.000 0.098 0.000 1.262 164 I HN -0.329 8.169 8.210 0.544 0.039 0.456 165 F N -4.283 115.634 119.950 -0.055 0.000 2.650 165 F HA 0.667 nan 4.527 nan 0.000 0.310 165 F C -2.596 173.146 175.800 -0.096 0.000 1.112 165 F CA -1.609 56.330 58.000 -0.101 0.000 0.986 165 F CB 2.330 41.170 39.000 -0.267 0.000 1.285 165 F HN 0.089 8.010 8.300 -0.633 0.000 0.440 166 S N -0.686 114.981 115.700 -0.055 0.000 2.566 166 S HA 0.819 nan 4.470 nan 0.000 0.298 166 S C -1.921 172.509 174.600 -0.284 0.000 1.083 166 S CA -0.983 57.108 58.200 -0.182 0.000 0.978 166 S CB 2.808 65.963 63.200 -0.075 0.000 1.073 166 S HN 0.601 8.914 8.310 0.005 0.000 0.491 167 F N 1.925 121.683 119.950 -0.320 0.000 2.507 167 F HA 0.481 nan 4.527 nan 0.000 0.328 167 F C -1.891 173.731 175.800 -0.297 0.000 1.136 167 F CA -0.871 57.029 58.000 -0.167 0.000 0.930 167 F CB 3.775 42.769 39.000 -0.011 0.000 1.166 167 F HN 0.798 8.875 8.300 -0.371 0.000 0.436 168 Y N 5.197 125.491 120.300 -0.011 0.000 2.331 168 Y HA 0.524 nan 4.550 nan 0.000 0.338 168 Y C -2.642 173.271 175.900 0.021 0.000 0.992 168 Y CA -2.143 55.992 58.100 0.059 0.000 1.121 168 Y CB 2.432 40.873 38.460 -0.031 0.000 1.184 168 Y HN 0.568 8.960 8.280 0.186 0.000 0.469 169 L N 7.593 128.411 121.223 -0.675 0.000 2.385 169 L HA 0.417 nan 4.340 nan 0.000 0.273 169 L C -1.613 174.801 176.870 -0.759 0.000 0.990 169 L CA -1.683 52.839 54.840 -0.529 0.000 0.821 169 L CB 3.071 45.004 42.059 -0.210 0.000 1.279 169 L HN 0.388 8.252 8.230 -0.610 0.000 0.412 170 S N 2.621 117.998 115.700 -0.538 0.000 2.537 170 S HA 0.096 nan 4.470 nan 0.000 0.275 170 S C -0.069 174.435 174.600 -0.160 0.000 1.272 170 S CA -0.265 57.744 58.200 -0.320 0.000 1.050 170 S CB 0.669 63.809 63.200 -0.101 0.000 0.961 170 S HN 0.527 8.544 8.310 -0.354 0.081 0.496 171 R N 5.474 125.911 120.500 -0.105 0.000 2.388 171 R HA 0.192 nan 4.340 nan 0.000 0.247 171 R C -0.819 175.464 176.300 -0.029 0.000 0.931 171 R CA -1.242 54.819 56.100 -0.065 0.000 1.082 171 R CB 0.177 30.439 30.300 -0.064 0.000 1.135 171 R HN 0.461 8.676 8.270 -0.093 0.000 0.525 172 D N -0.290 120.102 120.400 -0.013 0.000 2.440 172 D HA 0.360 nan 4.640 nan 0.000 0.239 172 D C -1.353 174.950 176.300 0.006 0.000 1.084 172 D CA -3.458 50.543 54.000 0.003 0.000 0.843 172 D CB 2.007 42.818 40.800 0.019 0.000 1.097 172 D HN -0.735 7.557 8.370 -0.016 0.068 0.531 173 P HA -0.107 nan 4.420 nan 0.000 0.222 173 P C -0.331 176.980 177.300 0.018 0.000 1.147 173 P CA 1.215 64.321 63.100 0.010 0.000 0.790 173 P CB 0.307 32.013 31.700 0.010 0.000 0.780 174 D N -0.974 119.437 120.400 0.019 0.000 2.434 174 D HA 0.087 nan 4.640 nan 0.000 0.232 174 D C -1.131 175.188 176.300 0.031 0.000 1.166 174 D CA -0.240 53.774 54.000 0.023 0.000 0.830 174 D CB -0.864 39.947 40.800 0.019 0.000 0.960 174 D HN -0.433 8.119 8.370 0.017 -0.172 0.497 175 A N -1.139 121.704 122.820 0.038 0.000 2.306 175 A HA 0.278 nan 4.320 nan 0.000 0.330 175 A C -0.963 176.658 177.584 0.062 0.000 1.146 175 A CA -0.427 51.643 52.037 0.054 0.000 0.827 175 A CB 1.784 20.825 19.000 0.068 0.000 1.178 175 A HN -0.708 7.378 8.150 0.033 0.083 0.490 176 Q N 0.552 120.395 119.800 0.071 0.000 2.325 176 Q HA 0.294 nan 4.340 nan 0.000 0.270 176 Q C -2.120 173.941 176.000 0.102 0.000 1.020 176 Q CA -2.489 53.358 55.803 0.074 0.000 0.785 176 Q CB 0.991 29.763 28.738 0.057 0.000 1.259 176 Q HN 0.199 8.513 8.270 0.072 0.000 0.452 177 P HA 0.308 nan 4.420 nan 0.000 0.278 177 P C 0.178 177.547 177.300 0.114 0.000 1.258 177 P CA -0.859 62.311 63.100 0.118 0.000 0.811 177 P CB 1.973 33.755 31.700 0.135 0.000 1.063 178 G N -2.859 105.987 108.800 0.076 0.000 2.572 178 G HA2 -0.112 nan 3.960 nan 0.000 0.216 178 G HA3 -0.112 nan 3.960 nan 0.000 0.216 178 G C -1.264 173.630 174.900 -0.010 0.000 1.133 178 G CA 0.413 45.536 45.100 0.037 0.000 0.791 178 G HN 0.310 8.643 8.290 0.071 0.000 0.538 179 G N -2.698 106.125 108.800 0.037 0.000 2.315 179 G HA2 0.047 nan 3.960 nan 0.000 0.294 179 G HA3 0.047 nan 3.960 nan 0.000 0.294 179 G C -2.423 172.556 174.900 0.131 0.000 1.300 179 G CA -0.436 44.658 45.100 -0.010 0.000 0.843 179 G HN -0.982 7.327 8.290 0.084 0.032 0.527 180 E N -0.295 120.004 120.200 0.165 0.000 2.287 180 E HA 0.305 nan 4.350 nan 0.000 0.274 180 E C -1.729 174.901 176.600 0.051 0.000 0.896 180 E CA -0.773 55.700 56.400 0.122 0.000 0.788 180 E CB 3.656 33.444 29.700 0.145 0.000 1.244 180 E HN 0.476 8.827 8.360 0.167 0.109 0.408 181 L N 6.334 127.516 121.223 -0.069 0.000 2.276 181 L HA 0.524 nan 4.340 nan 0.000 0.286 181 L C -1.497 175.304 176.870 -0.115 0.000 1.061 181 L CA -0.300 54.353 54.840 -0.310 0.000 0.807 181 L CB 1.089 42.890 42.059 -0.429 0.000 1.177 181 L HN 0.287 8.501 8.230 -0.026 0.000 0.429 182 M N 8.151 127.712 119.600 -0.065 0.000 2.114 182 M HA 0.335 nan 4.480 nan 0.000 0.332 182 M C -2.092 174.260 176.300 0.088 0.000 1.014 182 M CA -1.399 53.937 55.300 0.061 0.000 0.956 182 M CB 2.198 34.891 32.600 0.155 0.000 1.551 182 M HN 0.635 8.839 8.290 -0.144 0.000 0.427 183 L N 6.860 128.149 121.223 0.110 0.000 2.276 183 L HA 0.333 nan 4.340 nan 0.000 0.286 183 L C 0.580 177.584 176.870 0.222 0.000 1.061 183 L CA 0.010 54.977 54.840 0.210 0.000 0.807 183 L CB 0.376 42.535 42.059 0.167 0.000 1.177 183 L HN 0.512 8.790 8.230 0.080 0.000 0.429 184 G N 2.579 111.570 108.800 0.318 0.000 2.143 184 G HA2 -0.294 nan 3.960 nan 0.000 0.248 184 G HA3 -0.294 nan 3.960 nan 0.000 0.248 184 G C -1.158 173.849 174.900 0.179 0.000 0.991 184 G CA 0.345 45.591 45.100 0.243 0.000 0.689 184 G HN 0.893 9.372 8.290 0.459 0.086 0.522 185 G N -4.171 104.735 108.800 0.177 0.000 2.489 185 G HA2 0.023 nan 3.960 nan 0.000 0.305 185 G HA3 0.023 nan 3.960 nan 0.000 0.305 185 G C -3.578 171.428 174.900 0.176 0.000 1.311 185 G CA 0.201 45.393 45.100 0.153 0.000 0.813 185 G HN -0.941 7.437 8.290 0.197 0.030 0.480 186 T N -0.520 114.155 114.554 0.202 0.000 2.908 186 T HA 0.498 nan 4.350 nan 0.000 0.290 186 T C -1.544 173.333 174.700 0.295 0.000 1.034 186 T CA -0.571 61.711 62.100 0.304 0.000 1.010 186 T CB 2.276 71.320 68.868 0.295 0.000 1.068 186 T HN -0.187 8.157 8.240 0.173 0.000 0.481 187 D N 4.339 124.968 120.400 0.381 0.000 2.461 187 D HA 0.334 nan 4.640 nan 0.000 0.240 187 D C 0.568 176.841 176.300 -0.045 0.000 1.094 187 D CA -1.675 52.434 54.000 0.181 0.000 0.868 187 D CB 0.691 41.661 40.800 0.285 0.000 1.062 187 D HN 0.193 8.935 8.370 0.621 0.000 0.530 188 S N 5.220 120.795 115.700 -0.209 0.000 2.595 188 S HA -0.175 nan 4.470 nan 0.000 0.235 188 S C 1.018 175.223 174.600 -0.657 0.000 0.974 188 S CA 2.220 60.019 58.200 -0.669 0.000 0.942 188 S CB 0.029 62.944 63.200 -0.475 0.000 0.766 188 S HN 0.689 8.942 8.310 -0.094 0.000 0.536 189 K N 0.185 120.259 120.400 -0.544 0.000 2.525 189 K HA -0.111 nan 4.320 nan 0.000 0.192 189 K C 0.506 176.640 176.600 -0.777 0.000 1.029 189 K CA 1.870 57.769 56.287 -0.647 0.000 1.029 189 K CB -0.346 31.733 32.500 -0.703 0.000 0.814 189 K HN -0.485 7.732 8.250 -0.442 -0.232 0.503 190 Y N -2.674 117.358 120.300 -0.448 0.000 2.696 190 Y HA 0.111 nan 4.550 nan 0.000 0.260 190 Y C -1.860 173.882 175.900 -0.264 0.000 1.165 190 Y CA -1.599 56.255 58.100 -0.411 0.000 1.189 190 Y CB 0.113 38.300 38.460 -0.456 0.000 1.180 190 Y HN -0.367 7.555 8.280 -0.503 0.056 0.538 191 Y N -4.943 115.197 120.300 -0.267 0.000 2.638 191 Y HA 0.479 nan 4.550 nan 0.000 0.335 191 Y C -2.047 173.788 175.900 -0.109 0.000 1.155 191 Y CA -2.223 55.772 58.100 -0.175 0.000 1.046 191 Y CB 2.644 40.923 38.460 -0.301 0.000 1.303 191 Y HN -0.809 7.133 8.280 -0.564 0.000 0.460 192 K N 1.278 121.775 120.400 0.163 0.000 2.270 192 K HA 0.354 nan 4.320 nan 0.000 0.255 192 K C -0.174 176.526 176.600 0.166 0.000 0.936 192 K CA -1.093 55.237 56.287 0.072 0.000 0.809 192 K CB 2.333 34.856 32.500 0.038 0.000 1.131 192 K HN 0.635 8.933 8.250 0.245 0.099 0.427 193 G N 4.275 113.140 108.800 0.108 0.000 2.509 193 G HA2 -0.378 nan 3.960 nan 0.000 0.256 193 G HA3 -0.378 nan 3.960 nan 0.000 0.256 193 G C -1.589 173.424 174.900 0.188 0.000 1.152 193 G CA 0.055 45.225 45.100 0.117 0.000 0.951 193 G HN 0.426 8.739 8.290 0.038 0.000 0.559 194 S N 0.683 116.472 115.700 0.149 0.000 2.570 194 S HA 0.159 nan 4.470 nan 0.000 0.286 194 S C -0.524 174.098 174.600 0.036 0.000 1.099 194 S CA -1.006 57.271 58.200 0.129 0.000 0.913 194 S CB 2.769 66.029 63.200 0.101 0.000 1.085 194 S HN -0.138 8.241 8.310 0.115 0.000 0.480 195 L N 2.284 123.475 121.223 -0.054 0.000 2.416 195 L HA 0.111 nan 4.340 nan 0.000 0.272 195 L C 0.090 176.831 176.870 -0.215 0.000 1.161 195 L CA 0.730 55.413 54.840 -0.262 0.000 0.845 195 L CB 0.635 42.428 42.059 -0.443 0.000 1.119 195 L HN 0.328 8.565 8.230 0.011 0.000 0.464 196 S N 3.392 118.952 115.700 -0.234 0.000 2.502 196 S HA 0.295 nan 4.470 nan 0.000 0.304 196 S C -1.568 172.903 174.600 -0.216 0.000 1.097 196 S CA -0.402 57.764 58.200 -0.057 0.000 1.045 196 S CB 1.745 65.008 63.200 0.105 0.000 1.019 196 S HN 0.017 8.197 8.310 -0.216 0.000 0.481 197 Y N 4.233 124.535 120.300 0.004 0.000 2.534 197 Y HA 0.727 nan 4.550 nan 0.000 0.329 197 Y C -1.118 174.769 175.900 -0.022 0.000 1.154 197 Y CA -0.974 57.085 58.100 -0.069 0.000 1.192 197 Y CB 2.268 40.694 38.460 -0.057 0.000 1.275 197 Y HN 0.107 8.523 8.280 0.227 0.000 0.491 198 L N 0.027 121.321 121.223 0.117 0.000 2.422 198 L HA 0.341 nan 4.340 nan 0.000 0.264 198 L C -1.560 175.381 176.870 0.118 0.000 0.984 198 L CA -1.405 53.500 54.840 0.109 0.000 0.819 198 L CB 4.335 46.450 42.059 0.094 0.000 1.330 198 L HN 0.773 9.056 8.230 0.088 0.000 0.410 199 N N 1.475 120.242 118.700 0.111 0.000 2.530 199 N HA 0.318 nan 4.740 nan 0.000 0.277 199 N C -0.343 175.239 175.510 0.121 0.000 1.168 199 N CA -0.725 52.390 53.050 0.107 0.000 0.979 199 N CB 0.874 39.403 38.487 0.070 0.000 1.141 199 N HN -0.065 8.376 8.380 0.102 0.000 0.459 200 V N 1.673 121.669 119.914 0.136 0.000 2.529 200 V HA -0.012 nan 4.120 nan 0.000 0.292 200 V C 0.825 176.941 176.094 0.036 0.000 1.028 200 V CA 1.176 63.546 62.300 0.117 0.000 1.074 200 V CB -0.695 31.180 31.823 0.087 0.000 0.958 200 V HN 0.227 8.502 8.190 0.141 0.000 0.481 201 T N 5.886 120.466 114.554 0.044 0.000 2.764 201 T HA 0.005 nan 4.350 nan 0.000 0.243 201 T C 0.071 174.747 174.700 -0.040 0.000 1.065 201 T CA 1.293 63.400 62.100 0.012 0.000 1.219 201 T CB 0.618 69.515 68.868 0.050 0.000 0.918 201 T HN 0.295 8.478 8.240 0.084 0.108 0.409 202 R N 2.741 123.219 120.500 -0.037 0.000 2.254 202 R HA 0.051 nan 4.340 nan 0.000 0.318 202 R C -0.552 175.603 176.300 -0.242 0.000 1.031 202 R CA -0.617 55.420 56.100 -0.105 0.000 0.905 202 R CB 0.709 30.984 30.300 -0.040 0.000 1.050 202 R HN 0.160 8.440 8.270 0.016 0.000 0.456 203 K N 8.780 128.924 120.400 -0.427 0.000 2.243 203 K HA -0.136 nan 4.320 nan 0.000 0.232 203 K C -1.528 174.574 176.600 -0.830 0.000 1.237 203 K CA 0.799 56.511 56.287 -0.960 0.000 1.161 203 K CB -1.165 30.814 32.500 -0.867 0.000 1.505 203 K HN 0.674 8.728 8.250 -0.326 0.000 0.271 204 A N 1.157 123.656 122.820 -0.535 0.000 1.749 204 A HA 0.230 nan 4.320 nan 0.000 0.187 204 A C -1.257 176.161 177.584 -0.276 0.000 1.742 204 A CA 0.842 52.666 52.037 -0.356 0.000 1.133 204 A CB 1.370 20.134 19.000 -0.394 0.000 0.996 204 A HN -0.426 7.436 8.150 -0.433 0.028 0.585 205 Y N -2.782 117.523 120.300 0.009 0.000 2.418 205 Y HA 0.074 nan 4.550 nan 0.000 0.327 205 Y C 0.170 176.130 175.900 0.099 0.000 1.309 205 Y CA -1.774 56.389 58.100 0.104 0.000 1.423 205 Y CB 1.500 40.042 38.460 0.137 0.000 1.423 205 Y HN -0.591 7.563 8.280 -0.210 0.000 0.532 206 W N -0.293 121.261 121.300 0.424 0.000 2.290 206 W HA 0.043 nan 4.660 nan 0.000 0.408 206 W C -0.941 175.750 176.519 0.287 0.000 0.966 206 W CA -0.579 56.998 57.345 0.388 0.000 1.579 206 W CB -0.987 28.719 29.460 0.409 0.000 1.662 206 W HN 0.455 9.095 8.180 0.766 0.000 0.341 207 Q N 2.440 122.448 119.800 0.346 0.000 2.241 207 Q HA 0.705 nan 4.340 nan 0.000 0.254 207 Q C -1.747 174.377 176.000 0.207 0.000 0.917 207 Q CA -0.451 55.499 55.803 0.245 0.000 0.919 207 Q CB 2.520 31.369 28.738 0.185 0.000 1.237 207 Q HN -0.094 8.311 8.270 0.243 0.010 0.434 208 V N 4.463 124.483 119.914 0.177 0.000 3.102 208 V HA 0.466 nan 4.120 nan 0.000 0.312 208 V C -2.551 173.626 176.094 0.138 0.000 1.135 208 V CA -2.079 60.315 62.300 0.156 0.000 1.022 208 V CB 4.515 36.432 31.823 0.158 0.000 1.056 208 V HN 0.849 9.132 8.190 0.155 0.000 0.436 209 H N 3.712 122.802 119.070 0.033 0.000 2.488 209 H HA 0.563 nan 4.556 nan 0.000 0.322 209 H C -1.748 173.560 175.328 -0.033 0.000 1.078 209 H CA -1.227 54.823 56.048 0.004 0.000 1.260 209 H CB 1.644 31.412 29.762 0.010 0.000 1.425 209 H HN 0.308 8.710 8.280 0.203 0.000 0.471 210 L N 5.086 125.989 121.223 -0.532 0.000 2.307 210 L HA 0.239 nan 4.340 nan 0.000 0.282 210 L C -0.798 175.683 176.870 -0.649 0.000 1.051 210 L CA -1.341 53.208 54.840 -0.485 0.000 0.804 210 L CB 2.515 44.288 42.059 -0.476 0.000 1.197 210 L HN 0.443 8.346 8.230 -0.545 0.000 0.431 211 D N 5.164 125.348 120.400 -0.361 0.000 2.201 211 D HA 0.038 nan 4.640 nan 0.000 0.209 211 D C -0.911 175.268 176.300 -0.200 0.000 0.961 211 D CA 2.739 56.605 54.000 -0.225 0.000 0.861 211 D CB 1.415 42.174 40.800 -0.067 0.000 0.997 211 D HN 0.665 8.880 8.370 -0.259 0.000 0.486 212 Q N -8.664 110.998 119.800 -0.230 0.000 2.776 212 Q HA 0.252 nan 4.340 nan 0.000 0.289 212 Q C -2.355 173.477 176.000 -0.279 0.000 0.912 212 Q CA -0.545 55.118 55.803 -0.233 0.000 0.789 212 Q CB 3.131 31.787 28.738 -0.136 0.000 1.498 212 Q HN -0.852 7.276 8.270 -0.236 0.000 0.408 213 V N 0.086 119.813 119.914 -0.311 0.000 2.409 213 V HA 0.590 nan 4.120 nan 0.000 0.291 213 V C -2.083 173.905 176.094 -0.176 0.000 1.020 213 V CA -0.888 61.232 62.300 -0.301 0.000 0.848 213 V CB 1.064 32.608 31.823 -0.464 0.000 0.990 213 V HN 0.528 8.552 8.190 -0.276 0.000 0.430 214 E N 7.672 127.800 120.200 -0.120 0.000 2.191 214 E HA 0.739 nan 4.350 nan 0.000 0.263 214 E C -2.505 174.049 176.600 -0.077 0.000 0.881 214 E CA -1.885 54.464 56.400 -0.086 0.000 0.757 214 E CB 4.037 33.701 29.700 -0.060 0.000 1.147 214 E HN 0.673 8.970 8.360 -0.105 0.000 0.414 215 V N 5.946 125.808 119.914 -0.087 0.000 2.370 215 V HA 0.651 nan 4.120 nan 0.000 0.279 215 V C -0.573 175.496 176.094 -0.042 0.000 1.029 215 V CA -2.669 59.582 62.300 -0.081 0.000 0.870 215 V CB 1.692 33.434 31.823 -0.136 0.000 0.984 215 V HN 0.831 8.969 8.190 -0.086 0.000 0.451 216 A N 8.776 131.588 122.820 -0.013 0.000 2.148 216 A HA -0.331 nan 4.320 nan 0.000 0.222 216 A C 0.827 178.409 177.584 -0.004 0.000 1.161 216 A CA 2.800 54.836 52.037 -0.001 0.000 0.662 216 A CB -0.480 18.532 19.000 0.020 0.000 0.799 216 A HN 0.452 8.601 8.150 -0.002 0.000 0.466 217 S N -4.236 111.459 115.700 -0.009 0.000 2.603 217 S HA -0.111 nan 4.470 nan 0.000 0.229 217 S C 1.079 175.670 174.600 -0.016 0.000 0.972 217 S CA 0.077 58.271 58.200 -0.010 0.000 0.935 217 S CB 0.115 63.308 63.200 -0.011 0.000 0.769 217 S HN -0.139 8.101 8.310 -0.016 0.060 0.536 218 G N 0.540 109.327 108.800 -0.021 0.000 3.033 218 G HA2 -0.236 nan 3.960 nan 0.000 0.196 218 G HA3 -0.236 nan 3.960 nan 0.000 0.196 218 G C -1.778 173.104 174.900 -0.031 0.000 1.078 218 G CA -0.360 44.727 45.100 -0.022 0.000 0.805 218 G HN 0.080 8.289 8.290 -0.024 0.066 0.472 219 L N 1.624 122.824 121.223 -0.039 0.000 2.540 219 L HA 0.029 nan 4.340 nan 0.000 0.276 219 L C -1.588 175.250 176.870 -0.055 0.000 1.212 219 L CA 1.216 56.028 54.840 -0.047 0.000 0.893 219 L CB 0.765 42.788 42.059 -0.059 0.000 1.138 219 L HN -0.207 7.999 8.230 -0.041 0.000 0.491 220 T N 8.335 122.861 114.554 -0.047 0.000 2.809 220 T HA 0.659 nan 4.350 nan 0.000 0.284 220 T C -0.579 174.093 174.700 -0.047 0.000 0.992 220 T CA -0.390 61.676 62.100 -0.056 0.000 0.957 220 T CB 0.840 69.680 68.868 -0.047 0.000 0.942 220 T HN -0.198 8.020 8.240 -0.038 0.000 0.439 221 L N 4.039 125.226 121.223 -0.060 0.000 2.331 221 L HA 0.549 nan 4.340 nan 0.000 0.268 221 L C 0.497 177.326 176.870 -0.069 0.000 1.015 221 L CA -1.844 52.989 54.840 -0.012 0.000 0.807 221 L CB 2.538 44.635 42.059 0.064 0.000 1.293 221 L HN 0.874 9.048 8.230 -0.094 0.000 0.451 222 c N -0.669 117.926 118.600 -0.009 0.000 4.184 222 c HA -0.450 nan 4.570 nan 0.000 0.295 222 c C -0.689 173.348 174.090 -0.089 0.000 1.477 222 c CA 0.517 56.803 56.329 -0.072 0.000 2.037 222 c CB -2.057 40.264 42.510 -0.314 0.000 1.282 222 c HN 0.546 9.142 8.230 0.091 -0.312 0.783 223 K N -0.031 120.340 120.400 -0.049 0.000 2.368 223 K HA -0.089 nan 4.320 nan 0.000 0.282 223 K C -0.659 175.932 176.600 -0.014 0.000 1.035 223 K CA 1.304 57.569 56.287 -0.038 0.000 0.973 223 K CB 0.058 32.543 32.500 -0.024 0.000 0.957 223 K HN -0.178 8.020 8.250 -0.028 0.036 0.474 224 E N -1.335 118.861 120.200 -0.006 0.000 4.122 224 E HA -0.221 nan 4.350 nan 0.000 0.424 224 E C -0.578 176.048 176.600 0.043 0.000 0.509 224 E CA 0.114 56.527 56.400 0.021 0.000 1.522 224 E CB -0.752 28.965 29.700 0.029 0.000 1.972 224 E HN 0.678 9.029 8.360 -0.015 0.000 0.357 225 G N -2.006 106.788 108.800 -0.010 0.000 2.692 225 G HA2 -0.330 nan 3.960 nan 0.000 0.686 225 G HA3 -0.330 nan 3.960 nan 0.000 0.686 225 G C -1.320 173.553 174.900 -0.045 0.000 1.243 225 G CA -0.051 45.011 45.100 -0.063 0.000 0.782 225 G HN -0.460 7.604 8.290 -0.046 0.199 0.625 226 c N -3.398 115.061 118.600 -0.235 0.000 3.314 226 c HA 0.434 nan 4.570 nan 0.000 0.344 226 c C -2.012 172.026 174.090 -0.086 0.000 1.461 226 c CA -2.211 54.081 56.329 -0.062 0.000 1.249 226 c CB 3.818 46.318 42.510 -0.017 0.000 1.632 226 c HN 0.724 8.625 8.230 -0.547 0.000 0.452 227 E N -0.783 119.458 120.200 0.069 0.000 2.191 227 E HA 0.771 nan 4.350 nan 0.000 0.274 227 E C -1.519 175.135 176.600 0.089 0.000 0.948 227 E CA -1.236 55.221 56.400 0.095 0.000 0.802 227 E CB 2.696 32.473 29.700 0.129 0.000 1.137 227 E HN 0.341 8.771 8.360 0.116 0.000 0.397 228 A N 1.996 124.852 122.820 0.060 0.000 2.475 228 A HA 1.002 nan 4.320 nan 0.000 0.301 228 A C -2.532 175.094 177.584 0.071 0.000 1.059 228 A CA -1.489 50.584 52.037 0.060 0.000 0.710 228 A CB 3.514 22.490 19.000 -0.039 0.000 1.288 228 A HN 0.928 9.119 8.150 0.068 0.000 0.408 229 I N -3.789 116.813 120.570 0.054 0.000 2.603 229 I HA 0.878 nan 4.170 nan 0.000 0.300 229 I C -1.466 174.716 176.117 0.109 0.000 1.017 229 I CA -2.395 58.964 61.300 0.099 0.000 1.098 229 I CB 3.096 41.085 38.000 -0.018 0.000 1.279 229 I HN 0.442 8.673 8.210 0.035 0.000 0.437 230 V N 2.943 122.997 119.914 0.233 0.000 2.318 230 V HA 0.248 nan 4.120 nan 0.000 0.271 230 V C -1.338 174.892 176.094 0.225 0.000 1.030 230 V CA -0.904 61.541 62.300 0.241 0.000 0.844 230 V CB -1.206 30.837 31.823 0.368 0.000 1.015 230 V HN 0.178 8.579 8.190 0.352 0.000 0.460 231 D N 7.019 127.475 120.400 0.093 0.000 2.471 231 D HA 0.317 nan 4.640 nan 0.000 0.245 231 D C 0.926 177.186 176.300 -0.067 0.000 1.116 231 D CA -1.253 52.757 54.000 0.016 0.000 0.853 231 D CB 3.202 44.003 40.800 0.001 0.000 1.123 231 D HN 0.014 8.422 8.370 0.063 0.000 0.540 232 T N 0.739 115.173 114.554 -0.199 0.000 3.035 232 T HA -0.001 nan 4.350 nan 0.000 0.268 232 T C 0.939 175.515 174.700 -0.205 0.000 1.109 232 T CA 1.292 63.204 62.100 -0.314 0.000 1.119 232 T CB -0.262 68.152 68.868 -0.756 0.000 0.900 232 T HN 0.454 8.536 8.240 -0.263 0.000 0.503 233 G N 2.657 111.373 108.800 -0.140 0.000 2.985 233 G HA2 0.076 nan 3.960 nan 0.000 0.209 233 G HA3 0.076 nan 3.960 nan 0.000 0.209 233 G C -0.551 174.320 174.900 -0.047 0.000 1.165 233 G CA 0.007 45.051 45.100 -0.093 0.000 0.776 233 G HN -0.343 8.082 8.290 -0.127 -0.212 0.541 234 T N 4.028 118.554 114.554 -0.047 0.000 2.771 234 T HA 0.345 nan 4.350 nan 0.000 0.281 234 T C 0.163 174.842 174.700 -0.034 0.000 0.982 234 T CA -0.466 61.614 62.100 -0.032 0.000 0.978 234 T CB 1.382 70.227 68.868 -0.038 0.000 0.930 234 T HN -0.761 7.394 8.240 -0.061 0.049 0.447 235 S N 6.099 121.786 115.700 -0.022 0.000 2.387 235 S HA -0.161 nan 4.470 nan 0.000 0.226 235 S C -0.609 173.970 174.600 -0.034 0.000 1.026 235 S CA 3.781 61.969 58.200 -0.021 0.000 0.972 235 S CB 0.198 63.396 63.200 -0.003 0.000 0.814 235 S HN 0.509 8.812 8.310 -0.011 0.000 0.477 236 L N -1.521 119.676 121.223 -0.043 0.000 2.376 236 L HA 0.474 nan 4.340 nan 0.000 0.267 236 L C -0.715 176.081 176.870 -0.123 0.000 1.035 236 L CA -1.725 53.070 54.840 -0.075 0.000 0.800 236 L CB 2.032 44.065 42.059 -0.044 0.000 1.290 236 L HN -0.705 7.467 8.230 -0.037 0.035 0.462 237 M N -1.178 118.272 119.600 -0.249 0.000 2.249 237 M HA 0.331 nan 4.480 nan 0.000 0.351 237 M C -1.355 174.851 176.300 -0.157 0.000 1.180 237 M CA -1.431 53.689 55.300 -0.301 0.000 1.127 237 M CB -0.206 31.908 32.600 -0.810 0.000 1.546 237 M HN -0.041 8.059 8.290 -0.316 0.000 0.461 238 V N -0.609 119.261 119.914 -0.073 0.000 2.876 238 V HA 1.000 nan 4.120 nan 0.000 0.312 238 V C -2.228 173.706 176.094 -0.267 0.000 1.085 238 V CA -2.861 59.374 62.300 -0.109 0.000 0.945 238 V CB 4.186 35.946 31.823 -0.105 0.000 1.017 238 V HN 0.195 8.365 8.190 -0.034 0.000 0.428 239 G N 1.058 109.545 108.800 -0.521 0.000 2.727 239 G HA2 0.678 nan 3.960 nan 0.000 0.289 239 G HA3 0.678 nan 3.960 nan 0.000 0.289 239 G C -3.942 170.522 174.900 -0.727 0.000 1.418 239 G CA -1.529 42.836 45.100 -1.226 0.000 0.818 239 G HN 0.294 8.384 8.290 -0.334 0.000 0.486 240 P HA 0.024 nan 4.420 nan 0.000 0.268 240 P C 0.308 177.479 177.300 -0.214 0.000 1.205 240 P CA 0.023 62.933 63.100 -0.317 0.000 0.771 240 P CB 0.183 31.755 31.700 -0.213 0.000 0.858 241 V N 4.139 123.980 119.914 -0.122 0.000 2.317 241 V HA -0.552 nan 4.120 nan 0.000 0.251 241 V C 1.826 177.893 176.094 -0.045 0.000 1.065 241 V CA 4.792 67.056 62.300 -0.061 0.000 1.049 241 V CB -0.456 31.348 31.823 -0.032 0.000 0.651 241 V HN 0.008 8.374 8.190 -0.113 -0.244 0.450 242 D N -2.643 117.730 120.400 -0.045 0.000 2.144 242 D HA -0.218 nan 4.640 nan 0.000 0.200 242 D C 2.446 178.726 176.300 -0.033 0.000 0.978 242 D CA 3.613 57.598 54.000 -0.026 0.000 0.833 242 D CB -0.473 40.319 40.800 -0.014 0.000 0.961 242 D HN 0.362 8.695 8.370 -0.051 0.007 0.470 243 E N 0.350 120.524 120.200 -0.044 0.000 2.112 243 E HA -0.132 nan 4.350 nan 0.000 0.190 243 E C 2.519 179.078 176.600 -0.068 0.000 0.979 243 E CA 2.683 59.075 56.400 -0.012 0.000 0.814 243 E CB 0.325 30.079 29.700 0.091 0.000 0.762 243 E HN -0.579 7.738 8.360 -0.072 0.000 0.460 244 V N -0.295 119.538 119.914 -0.135 0.000 2.548 244 V HA -0.338 nan 4.120 nan 0.000 0.249 244 V C 1.798 177.772 176.094 -0.200 0.000 1.055 244 V CA 4.179 66.376 62.300 -0.173 0.000 1.065 244 V CB -1.047 30.690 31.823 -0.143 0.000 0.681 244 V HN 0.293 8.389 8.190 -0.157 0.000 0.462 245 R N -1.307 119.128 120.500 -0.107 0.000 2.092 245 R HA -0.365 nan 4.340 nan 0.000 0.231 245 R C 1.735 177.953 176.300 -0.137 0.000 1.119 245 R CA 3.721 59.758 56.100 -0.105 0.000 0.970 245 R CB -0.911 29.408 30.300 0.033 0.000 0.864 245 R HN 0.210 8.447 8.270 -0.054 0.000 0.440 246 E N 0.608 120.748 120.200 -0.100 0.000 2.051 246 E HA -0.342 nan 4.350 nan 0.000 0.192 246 E C 2.495 179.012 176.600 -0.138 0.000 0.991 246 E CA 2.843 59.189 56.400 -0.090 0.000 0.799 246 E CB -0.173 29.491 29.700 -0.059 0.000 0.748 246 E HN -0.634 7.680 8.360 -0.077 0.000 0.449 247 L N -0.554 120.557 121.223 -0.186 0.000 2.083 247 L HA -0.285 nan 4.340 nan 0.000 0.209 247 L C 1.913 178.609 176.870 -0.291 0.000 1.083 247 L CA 3.203 57.890 54.840 -0.255 0.000 0.752 247 L CB -0.609 41.244 42.059 -0.343 0.000 0.899 247 L HN -0.001 8.127 8.230 -0.169 0.000 0.433 248 Q N -1.372 118.213 119.800 -0.359 0.000 2.123 248 Q HA -0.308 nan 4.340 nan 0.000 0.199 248 Q C 2.754 178.621 176.000 -0.221 0.000 0.966 248 Q CA 3.095 58.657 55.803 -0.400 0.000 0.845 248 Q CB -0.498 27.712 28.738 -0.881 0.000 0.907 248 Q HN -0.005 7.938 8.270 -0.377 0.101 0.439 249 K N 0.109 120.410 120.400 -0.166 0.000 2.057 249 K HA -0.228 nan 4.320 nan 0.000 0.206 249 K C 2.435 178.997 176.600 -0.065 0.000 1.050 249 K CA 2.244 58.484 56.287 -0.077 0.000 0.935 249 K CB -0.587 31.884 32.500 -0.050 0.000 0.715 249 K HN 0.014 8.149 8.250 -0.192 0.000 0.439 250 A N -1.863 120.907 122.820 -0.083 0.000 2.024 250 A HA -0.142 nan 4.320 nan 0.000 0.220 250 A C 1.990 179.543 177.584 -0.051 0.000 1.164 250 A CA 2.637 54.635 52.037 -0.065 0.000 0.643 250 A CB -0.213 18.738 19.000 -0.083 0.000 0.806 250 A HN -0.043 8.042 8.150 -0.108 0.000 0.451 251 I N -8.842 111.690 120.570 -0.062 0.000 3.783 251 I HA 0.093 nan 4.170 nan 0.000 0.310 251 I C 0.522 176.646 176.117 0.011 0.000 1.274 251 I CA 0.211 61.506 61.300 -0.010 0.000 1.294 251 I CB 0.655 38.662 38.000 0.013 0.000 1.051 251 I HN -0.474 7.560 8.210 -0.104 0.114 0.435 252 G N -0.553 108.244 108.800 -0.006 0.000 2.149 252 G HA2 -0.426 nan 3.960 nan 0.000 0.235 252 G HA3 -0.426 nan 3.960 nan 0.000 0.235 252 G C -0.547 174.376 174.900 0.038 0.000 1.018 252 G CA -0.388 44.721 45.100 0.016 0.000 0.728 252 G HN -0.119 8.031 8.290 -0.034 0.120 0.508 253 A N -0.213 122.629 122.820 0.036 0.000 2.287 253 A HA 0.677 nan 4.320 nan 0.000 0.273 253 A C -1.482 176.198 177.584 0.160 0.000 1.091 253 A CA -0.717 51.378 52.037 0.097 0.000 0.817 253 A CB 1.798 20.861 19.000 0.106 0.000 1.069 253 A HN -0.425 7.718 8.150 -0.013 0.000 0.492 254 V N -6.329 113.706 119.914 0.202 0.000 2.667 254 V HA 0.641 nan 4.120 nan 0.000 0.308 254 V C -2.566 173.663 176.094 0.225 0.000 1.048 254 V CA -4.789 57.627 62.300 0.193 0.000 0.928 254 V CB 0.894 32.773 31.823 0.093 0.000 1.004 254 V HN 0.571 8.869 8.190 0.181 0.000 0.444 255 P HA 0.179 nan 4.420 nan 0.000 0.267 255 P C -1.586 175.594 177.300 -0.201 0.000 1.205 255 P CA 0.542 63.455 63.100 -0.312 0.000 0.765 255 P CB 0.302 31.846 31.700 -0.259 0.000 0.828 256 L N 5.793 126.863 121.223 -0.257 0.000 2.208 256 L HA 0.290 nan 4.340 nan 0.000 0.196 256 L C -0.704 176.077 176.870 -0.148 0.000 1.130 256 L CA 0.858 55.617 54.840 -0.134 0.000 0.791 256 L CB 1.560 43.566 42.059 -0.089 0.000 0.969 256 L HN 0.674 8.547 8.230 -0.428 0.100 0.468 257 I N -4.688 115.774 120.570 -0.179 0.000 2.746 257 I HA 0.042 nan 4.170 nan 0.000 0.290 257 I C -1.724 174.304 176.117 -0.147 0.000 1.600 257 I CA -0.084 61.133 61.300 -0.139 0.000 1.019 257 I CB 1.788 39.736 38.000 -0.086 0.000 1.426 257 I HN -0.555 7.526 8.210 -0.214 0.000 0.460 258 Q N 7.072 126.797 119.800 -0.125 0.000 2.451 258 Q HA -0.315 nan 4.340 nan 0.000 0.305 258 Q C -0.635 175.310 176.000 -0.090 0.000 1.345 258 Q CA 1.107 56.853 55.803 -0.094 0.000 0.854 258 Q CB -1.376 27.322 28.738 -0.067 0.000 1.162 258 Q HN 0.811 9.011 8.270 -0.116 0.000 0.440 259 G N -6.052 102.669 108.800 -0.132 0.000 2.179 259 G HA2 -0.414 nan 3.960 nan 0.000 0.260 259 G HA3 -0.414 nan 3.960 nan 0.000 0.260 259 G C -0.900 173.994 174.900 -0.010 0.000 0.977 259 G CA -0.133 44.941 45.100 -0.044 0.000 0.641 259 G HN -0.015 8.157 8.290 -0.197 0.000 0.533 260 E N 0.732 120.857 120.200 -0.125 0.000 2.242 260 E HA 0.500 nan 4.350 nan 0.000 0.275 260 E C -1.495 174.994 176.600 -0.185 0.000 1.002 260 E CA -1.331 55.060 56.400 -0.015 0.000 0.841 260 E CB 2.255 31.945 29.700 -0.017 0.000 1.109 260 E HN -0.514 7.676 8.360 -0.171 0.068 0.394 261 Y N -0.870 119.452 120.300 0.037 0.000 2.545 261 Y HA 0.711 nan 4.550 nan 0.000 0.348 261 Y C -1.157 174.773 175.900 0.049 0.000 1.002 261 Y CA -1.347 56.777 58.100 0.040 0.000 1.039 261 Y CB 4.040 42.529 38.460 0.048 0.000 1.271 261 Y HN 0.384 8.844 8.280 0.301 0.000 0.467 262 M N 0.117 119.829 119.600 0.186 0.000 2.602 262 M HA 0.831 nan 4.480 nan 0.000 0.312 262 M C -2.095 174.280 176.300 0.125 0.000 1.181 262 M CA -0.914 54.461 55.300 0.125 0.000 0.910 262 M CB 4.448 37.090 32.600 0.070 0.000 1.723 262 M HN 0.843 9.245 8.290 0.186 0.000 0.459 263 I N 0.806 121.436 120.570 0.100 0.000 2.686 263 I HA 0.560 nan 4.170 nan 0.000 0.295 263 I C -3.329 172.821 176.117 0.055 0.000 1.114 263 I CA -3.844 57.506 61.300 0.083 0.000 1.038 263 I CB 4.554 42.613 38.000 0.098 0.000 1.238 263 I HN 0.750 9.013 8.210 0.088 0.000 0.420 264 P HA 0.114 nan 4.420 nan 0.000 0.267 264 P C 0.450 177.762 177.300 0.021 0.000 1.205 264 P CA -0.341 62.775 63.100 0.027 0.000 0.765 264 P CB -0.267 31.447 31.700 0.023 0.000 0.828 265 c N 4.836 123.445 118.600 0.015 0.000 2.410 265 c HA -0.345 nan 4.570 nan 0.000 0.281 265 c C 2.268 176.357 174.090 -0.000 0.000 1.318 265 c CA 3.678 60.010 56.329 0.005 0.000 1.776 265 c CB -0.944 41.568 42.510 0.003 0.000 1.942 265 c HN 0.430 8.554 8.230 0.017 0.116 0.508 266 E N -0.442 119.761 120.200 0.004 0.000 2.150 266 E HA -0.237 nan 4.350 nan 0.000 0.193 266 E C 1.295 177.896 176.600 0.002 0.000 0.985 266 E CA 2.722 59.124 56.400 0.002 0.000 0.814 266 E CB -0.617 29.087 29.700 0.005 0.000 0.752 266 E HN 0.401 8.721 8.360 0.008 0.044 0.466 267 K N -0.881 119.523 120.400 0.007 0.000 2.418 267 K HA -0.038 nan 4.320 nan 0.000 0.195 267 K C 1.685 178.287 176.600 0.002 0.000 1.035 267 K CA 1.186 57.479 56.287 0.009 0.000 1.003 267 K CB 0.073 32.584 32.500 0.020 0.000 0.793 267 K HN -0.250 7.845 8.250 0.010 0.162 0.494 268 V N -0.071 119.837 119.914 -0.011 0.000 2.392 268 V HA -0.360 nan 4.120 nan 0.000 0.249 268 V C 1.967 178.035 176.094 -0.045 0.000 1.059 268 V CA 3.693 65.970 62.300 -0.039 0.000 1.051 268 V CB -0.646 31.141 31.823 -0.059 0.000 0.658 268 V HN -0.551 7.463 8.190 -0.009 0.170 0.455 269 S N -1.323 114.360 115.700 -0.029 0.000 2.515 269 S HA -0.140 nan 4.470 nan 0.000 0.231 269 S C 1.135 175.730 174.600 -0.009 0.000 0.987 269 S CA 2.842 61.028 58.200 -0.023 0.000 0.936 269 S CB -0.354 62.837 63.200 -0.016 0.000 0.766 269 S HN 0.387 8.684 8.310 -0.022 0.000 0.528 270 T N -3.920 110.634 114.554 -0.000 0.000 3.081 270 T HA 0.066 nan 4.350 nan 0.000 0.250 270 T C 0.230 174.943 174.700 0.022 0.000 1.100 270 T CA -0.358 61.748 62.100 0.010 0.000 1.038 270 T CB 0.331 69.206 68.868 0.011 0.000 0.962 270 T HN -0.415 7.768 8.240 -0.002 0.055 0.516 271 L N 3.267 124.505 121.223 0.025 0.000 2.436 271 L HA 0.336 nan 4.340 nan 0.000 0.265 271 L C -1.581 175.341 176.870 0.087 0.000 1.168 271 L CA -1.641 53.237 54.840 0.064 0.000 0.815 271 L CB -0.649 41.448 42.059 0.063 0.000 1.109 271 L HN -0.610 7.549 8.230 0.006 0.075 0.462 272 P HA 0.069 nan 4.420 nan 0.000 0.270 272 P C -1.719 175.711 177.300 0.217 0.000 1.223 272 P CA -0.336 62.837 63.100 0.123 0.000 0.785 272 P CB 1.003 32.749 31.700 0.076 0.000 0.923 273 A N 0.533 123.455 122.820 0.170 0.000 2.293 273 A HA 0.756 nan 4.320 nan 0.000 0.302 273 A C -1.079 176.606 177.584 0.168 0.000 1.119 273 A CA -0.786 51.389 52.037 0.230 0.000 0.823 273 A CB 1.803 20.892 19.000 0.148 0.000 1.097 273 A HN 0.252 8.468 8.150 0.110 0.000 0.491 274 I N -0.062 120.616 120.570 0.180 0.000 2.509 274 I HA 0.490 nan 4.170 nan 0.000 0.293 274 I C -1.419 174.762 176.117 0.107 0.000 1.020 274 I CA -1.045 60.285 61.300 0.050 0.000 1.088 274 I CB 3.360 41.303 38.000 -0.095 0.000 1.267 274 I HN 0.437 8.820 8.210 0.289 0.000 0.430 275 T N 7.939 122.525 114.554 0.053 0.000 2.792 275 T HA 0.703 nan 4.350 nan 0.000 0.280 275 T C -1.553 173.161 174.700 0.024 0.000 0.990 275 T CA -0.610 61.531 62.100 0.068 0.000 0.960 275 T CB 1.152 70.041 68.868 0.035 0.000 0.939 275 T HN 0.775 9.017 8.240 0.004 0.000 0.439 276 L N 5.738 126.994 121.223 0.055 0.000 2.295 276 L HA 0.656 nan 4.340 nan 0.000 0.285 276 L C -1.762 175.106 176.870 -0.002 0.000 1.035 276 L CA -0.833 53.972 54.840 -0.059 0.000 0.806 276 L CB 1.496 43.468 42.059 -0.145 0.000 1.214 276 L HN 0.672 8.987 8.230 0.143 0.000 0.426 277 K N 4.781 125.144 120.400 -0.061 0.000 2.281 277 K HA 0.646 nan 4.320 nan 0.000 0.272 277 K C -1.995 174.597 176.600 -0.013 0.000 1.048 277 K CA -0.810 55.479 56.287 0.003 0.000 0.898 277 K CB 1.310 33.792 32.500 -0.031 0.000 1.128 277 K HN 0.591 8.758 8.250 -0.139 0.000 0.460 278 L N 7.358 128.647 121.223 0.110 0.000 2.325 278 L HA 0.316 nan 4.340 nan 0.000 0.281 278 L C 0.127 177.105 176.870 0.181 0.000 1.004 278 L CA -2.086 52.801 54.840 0.079 0.000 0.823 278 L CB 0.778 42.820 42.059 -0.028 0.000 1.236 278 L HN 0.698 9.092 8.230 0.272 0.000 0.415 279 G N 3.867 112.744 108.800 0.128 0.000 2.356 279 G HA2 -0.439 nan 3.960 nan 0.000 0.296 279 G HA3 -0.439 nan 3.960 nan 0.000 0.296 279 G C 0.603 175.570 174.900 0.111 0.000 1.022 279 G CA 0.572 45.752 45.100 0.134 0.000 0.961 279 G HN 0.780 9.149 8.290 0.098 -0.021 0.510 280 G N -1.972 106.878 108.800 0.083 0.000 2.320 280 G HA2 -0.518 nan 3.960 nan 0.000 0.242 280 G HA3 -0.518 nan 3.960 nan 0.000 0.242 280 G C -0.261 174.660 174.900 0.035 0.000 1.033 280 G CA -0.069 45.062 45.100 0.052 0.000 0.620 280 G HN 0.142 8.747 8.290 0.079 -0.267 0.517 281 K N 2.813 123.245 120.400 0.053 0.000 2.098 281 K HA 0.241 nan 4.320 nan 0.000 0.261 281 K C -0.929 175.634 176.600 -0.061 0.000 0.987 281 K CA -0.850 55.408 56.287 -0.049 0.000 0.916 281 K CB 2.169 34.586 32.500 -0.139 0.000 1.039 281 K HN -0.301 7.937 8.250 0.118 0.083 0.455 282 G N 0.006 108.713 108.800 -0.155 0.000 2.335 282 G HA2 0.360 nan 3.960 nan 0.000 0.316 282 G HA3 0.360 nan 3.960 nan 0.000 0.316 282 G C -1.484 173.270 174.900 -0.244 0.000 1.129 282 G CA -0.844 44.203 45.100 -0.089 0.000 0.899 282 G HN 0.043 8.220 8.290 -0.189 0.000 0.448 283 Y N 4.261 124.493 120.300 -0.114 0.000 2.342 283 Y HA 0.053 nan 4.550 nan 0.000 0.338 283 Y C -1.116 174.785 175.900 0.002 0.000 0.965 283 Y CA -1.039 56.917 58.100 -0.240 0.000 1.159 283 Y CB 2.292 40.420 38.460 -0.554 0.000 1.157 283 Y HN 0.783 9.189 8.280 0.211 0.000 0.486 284 K N 4.110 124.653 120.400 0.238 0.000 2.201 284 K HA 0.668 nan 4.320 nan 0.000 0.278 284 K C -1.375 175.415 176.600 0.315 0.000 1.027 284 K CA -1.052 55.377 56.287 0.237 0.000 0.909 284 K CB 1.845 34.438 32.500 0.156 0.000 1.062 284 K HN 0.270 8.697 8.250 0.295 0.000 0.465 285 L N 6.213 127.618 121.223 0.304 0.000 2.319 285 L HA 0.512 nan 4.340 nan 0.000 0.281 285 L C -1.126 175.953 176.870 0.348 0.000 1.005 285 L CA -1.568 53.474 54.840 0.337 0.000 0.828 285 L CB 1.389 43.721 42.059 0.454 0.000 1.227 285 L HN 0.958 9.356 8.230 0.279 0.000 0.415 286 S N 4.239 120.056 115.700 0.196 0.000 2.681 286 S HA 0.436 nan 4.470 nan 0.000 0.270 286 S C -1.108 173.436 174.600 -0.094 0.000 1.209 286 S CA -2.454 55.807 58.200 0.102 0.000 0.988 286 S CB -0.270 62.945 63.200 0.025 0.000 1.006 286 S HN 0.249 8.970 8.310 0.133 -0.331 0.558 287 P HA -0.222 nan 4.420 nan 0.000 0.217 287 P C 0.945 177.898 177.300 -0.578 0.000 1.148 287 P CA 2.927 65.562 63.100 -0.775 0.000 0.828 287 P CB -0.287 31.205 31.700 -0.346 0.000 0.783 288 E N -4.821 115.219 120.200 -0.267 0.000 2.208 288 E HA -0.232 nan 4.350 nan 0.000 0.193 288 E C 1.993 178.520 176.600 -0.122 0.000 0.988 288 E CA 2.581 58.884 56.400 -0.162 0.000 0.828 288 E CB -1.580 28.065 29.700 -0.091 0.000 0.763 288 E HN 0.492 8.719 8.360 -0.194 0.016 0.478 289 D N 0.679 121.022 120.400 -0.095 0.000 2.123 289 D HA -0.170 nan 4.640 nan 0.000 0.200 289 D C 0.709 177.053 176.300 0.072 0.000 0.976 289 D CA 2.752 56.748 54.000 -0.006 0.000 0.831 289 D CB 0.384 41.213 40.800 0.049 0.000 0.974 289 D HN -0.181 7.995 8.370 -0.110 0.128 0.469 290 Y N -6.857 113.487 120.300 0.074 0.000 2.532 290 Y HA 0.241 nan 4.550 nan 0.000 0.283 290 Y C -2.077 173.875 175.900 0.087 0.000 1.181 290 Y CA -2.338 55.816 58.100 0.091 0.000 1.256 290 Y CB -0.862 37.736 38.460 0.230 0.000 1.112 290 Y HN -0.598 7.596 8.280 -0.144 0.000 0.521 291 T N -2.496 112.080 114.554 0.036 0.000 2.893 291 T HA 0.466 nan 4.350 nan 0.000 0.291 291 T C -1.205 173.513 174.700 0.031 0.000 1.028 291 T CA -2.083 60.054 62.100 0.062 0.000 0.995 291 T CB 2.797 71.655 68.868 -0.016 0.000 1.051 291 T HN -0.923 7.241 8.240 -0.048 0.046 0.470 292 L N 2.392 123.641 121.223 0.043 0.000 2.346 292 L HA 0.397 nan 4.340 nan 0.000 0.276 292 L C -0.720 176.162 176.870 0.020 0.000 1.006 292 L CA -1.302 53.552 54.840 0.024 0.000 0.817 292 L CB 3.484 45.558 42.059 0.025 0.000 1.272 292 L HN 0.277 8.546 8.230 0.065 0.000 0.421 293 K N 3.119 123.525 120.400 0.010 0.000 2.249 293 K HA 0.448 nan 4.320 nan 0.000 0.280 293 K C -0.942 175.665 176.600 0.011 0.000 1.033 293 K CA 0.199 56.492 56.287 0.010 0.000 0.946 293 K CB 0.176 32.678 32.500 0.004 0.000 1.005 293 K HN 0.120 8.373 8.250 0.005 0.000 0.469 294 V N 0.189 120.110 119.914 0.012 0.000 3.102 294 V HA 0.556 nan 4.120 nan 0.000 0.312 294 V C -1.912 174.187 176.094 0.008 0.000 1.135 294 V CA -2.405 59.901 62.300 0.010 0.000 1.022 294 V CB 2.898 34.728 31.823 0.012 0.000 1.056 294 V HN 0.372 8.570 8.190 0.013 0.000 0.436 295 S N 1.277 116.980 115.700 0.005 0.000 2.550 295 S HA 0.528 nan 4.470 nan 0.000 0.270 295 S C -1.302 173.299 174.600 0.001 0.000 1.145 295 S CA -0.154 58.048 58.200 0.004 0.000 0.852 295 S CB 2.464 65.666 63.200 0.004 0.000 1.119 295 S HN 0.204 8.517 8.310 0.004 0.000 0.465 296 Q N 2.022 121.822 119.800 0.000 0.000 2.237 296 Q HA 0.172 nan 4.340 nan 0.000 0.164 296 Q C 0.080 176.080 176.000 -0.001 0.000 0.658 296 Q CA 0.214 56.016 55.803 -0.001 0.000 0.895 296 Q CB -0.524 28.212 28.738 -0.003 0.000 1.175 296 Q HN 0.119 8.501 8.270 0.001 -0.111 0.355 297 A N 0.580 123.400 122.820 -0.000 0.000 1.878 297 A HA 0.475 nan 4.320 nan 0.000 0.215 297 A C -0.184 177.401 177.584 0.002 0.000 1.310 297 A CA 0.153 52.190 52.037 0.000 0.000 0.612 297 A CB 0.388 19.388 19.000 0.000 0.000 0.989 297 A HN 0.122 8.272 8.150 -0.000 0.000 0.472 298 G N -2.995 105.806 108.800 0.002 0.000 2.375 298 G HA2 -0.177 nan 3.960 nan 0.000 0.663 298 G HA3 -0.177 nan 3.960 nan 0.000 0.663 298 G C -1.856 173.047 174.900 0.004 0.000 1.391 298 G CA -0.667 44.435 45.100 0.003 0.000 0.949 298 G HN -0.501 7.836 8.290 0.003 -0.046 0.646 299 K N 1.227 121.630 120.400 0.005 0.000 1.662 299 K HA -0.362 nan 4.320 nan 0.000 0.637 299 K C 0.689 177.293 176.600 0.007 0.000 1.779 299 K CA 1.689 57.980 56.287 0.006 0.000 1.097 299 K CB -0.210 32.292 32.500 0.004 0.000 1.876 299 K HN -0.018 8.235 8.250 0.005 0.000 0.629 300 T N -4.475 110.083 114.554 0.007 0.000 8.953 300 T HA -0.347 nan 4.350 nan 0.000 0.377 300 T C -0.480 174.229 174.700 0.013 0.000 1.724 300 T CA 2.098 64.203 62.100 0.009 0.000 2.600 300 T CB -0.158 68.715 68.868 0.008 0.000 2.851 300 T HN 0.417 8.661 8.240 0.005 0.000 1.242 301 L N 0.244 121.475 121.223 0.014 0.000 2.318 301 L HA 0.385 nan 4.340 nan 0.000 0.277 301 L C -2.202 174.682 176.870 0.022 0.000 1.008 301 L CA -0.391 54.460 54.840 0.019 0.000 0.846 301 L CB 1.580 43.648 42.059 0.015 0.000 1.220 301 L HN -0.260 7.865 8.230 0.012 0.113 0.423 302 c N 5.507 124.125 118.600 0.031 0.000 2.417 302 c HA 0.710 nan 4.570 nan 0.000 0.324 302 c C -1.060 173.066 174.090 0.060 0.000 1.240 302 c CA -1.488 54.863 56.329 0.037 0.000 1.632 302 c CB 2.510 45.038 42.510 0.031 0.000 2.241 302 c HN 0.290 8.541 8.230 0.035 0.000 0.499 303 L N 2.758 124.021 121.223 0.067 0.000 2.371 303 L HA 0.313 nan 4.340 nan 0.000 0.272 303 L C -1.047 175.907 176.870 0.140 0.000 1.124 303 L CA -0.742 54.154 54.840 0.094 0.000 0.816 303 L CB 1.736 43.841 42.059 0.077 0.000 1.129 303 L HN 0.823 9.085 8.230 0.053 0.000 0.448 304 S N 2.280 118.097 115.700 0.195 0.000 2.499 304 S HA 0.097 nan 4.470 nan 0.000 0.275 304 S C 1.482 176.245 174.600 0.272 0.000 1.257 304 S CA -0.256 58.107 58.200 0.271 0.000 1.050 304 S CB 0.693 64.052 63.200 0.265 0.000 0.937 304 S HN 0.443 8.768 8.310 0.201 0.106 0.490 305 G N 6.180 115.167 108.800 0.312 0.000 3.094 305 G HA2 0.001 nan 3.960 nan 0.000 0.208 305 G HA3 0.001 nan 3.960 nan 0.000 0.208 305 G C -1.832 173.073 174.900 0.008 0.000 1.189 305 G CA 0.237 45.426 45.100 0.147 0.000 0.856 305 G HN 0.695 9.255 8.290 0.450 0.000 0.510 306 F N -1.271 118.719 119.950 0.068 0.000 2.507 306 F HA 0.524 nan 4.527 nan 0.000 0.325 306 F C -1.489 174.334 175.800 0.039 0.000 1.116 306 F CA -1.337 56.675 58.000 0.019 0.000 0.930 306 F CB 3.114 42.087 39.000 -0.044 0.000 1.146 306 F HN -0.924 7.517 8.300 0.387 0.092 0.447 307 M N 4.035 123.729 119.600 0.156 0.000 2.436 307 M HA 0.351 nan 4.480 nan 0.000 0.331 307 M C -1.761 174.575 176.300 0.061 0.000 1.135 307 M CA -1.547 53.825 55.300 0.122 0.000 0.987 307 M CB 4.665 37.292 32.600 0.045 0.000 1.687 307 M HN 0.752 9.092 8.290 0.084 0.000 0.445 308 G N 3.487 112.339 108.800 0.085 0.000 2.356 308 G HA2 0.435 nan 3.960 nan 0.000 0.312 308 G HA3 0.435 nan 3.960 nan 0.000 0.312 308 G C -2.068 172.807 174.900 -0.042 0.000 1.096 308 G CA -0.538 44.561 45.100 -0.003 0.000 0.950 308 G HN 0.335 8.601 8.290 0.160 0.119 0.428 309 M N 5.139 124.678 119.600 -0.102 0.000 2.322 309 M HA 0.203 nan 4.480 nan 0.000 0.286 309 M C -2.364 173.869 176.300 -0.112 0.000 1.111 309 M CA -0.988 54.261 55.300 -0.086 0.000 0.941 309 M CB 4.606 37.160 32.600 -0.076 0.000 1.671 309 M HN 0.579 8.770 8.290 -0.164 0.000 0.470 310 D N 4.472 124.822 120.400 -0.083 0.000 2.225 310 D HA 0.256 nan 4.640 nan 0.000 0.248 310 D C -1.239 175.022 176.300 -0.064 0.000 1.096 310 D CA -0.377 53.575 54.000 -0.081 0.000 0.863 310 D CB 0.922 41.690 40.800 -0.055 0.000 1.156 310 D HN 0.121 8.453 8.370 -0.063 0.000 0.450 311 I N 4.449 124.980 120.570 -0.065 0.000 2.339 311 I HA 0.304 nan 4.170 nan 0.000 0.290 311 I C -1.733 174.371 176.117 -0.022 0.000 0.994 311 I CA -3.046 58.227 61.300 -0.045 0.000 1.191 311 I CB 1.949 39.912 38.000 -0.062 0.000 1.343 311 I HN -0.002 8.161 8.210 -0.078 0.000 0.458 312 P HA 0.370 nan 4.420 nan 0.000 0.281 312 P C -2.126 175.182 177.300 0.013 0.000 1.249 312 P CA -2.242 60.859 63.100 0.001 0.000 0.810 312 P CB -0.511 31.191 31.700 0.003 0.000 1.008 313 P HA 0.051 nan 4.420 nan 0.000 0.267 313 P C -1.403 175.912 177.300 0.024 0.000 1.201 313 P CA -0.255 62.859 63.100 0.022 0.000 0.775 313 P CB -0.937 30.774 31.700 0.018 0.000 0.854 314 P HA 0.184 nan 4.420 nan 0.000 0.245 314 P C -0.447 176.881 177.300 0.046 0.000 1.203 314 P CA 0.656 63.775 63.100 0.032 0.000 0.792 314 P CB 1.241 32.957 31.700 0.025 0.000 0.997 315 S N 0.065 115.803 115.700 0.062 0.000 2.406 315 S HA -0.037 nan 4.470 nan 0.000 0.224 315 S C 0.736 175.379 174.600 0.073 0.000 1.030 315 S CA 0.983 59.240 58.200 0.095 0.000 0.958 315 S CB 0.668 63.961 63.200 0.155 0.000 0.811 315 S HN -0.201 8.145 8.310 0.059 0.000 0.489 316 G N 1.796 110.623 108.800 0.045 0.000 2.537 316 G HA2 0.205 nan 3.960 nan 0.000 0.297 316 G HA3 0.205 nan 3.960 nan 0.000 0.297 316 G C -2.649 172.271 174.900 0.033 0.000 1.310 316 G CA -1.876 43.240 45.100 0.026 0.000 1.027 316 G HN -0.691 7.538 8.290 0.041 0.086 0.505 317 P HA -0.010 nan 4.420 nan 0.000 0.272 317 P C -1.910 175.416 177.300 0.042 0.000 1.230 317 P CA 0.184 63.295 63.100 0.018 0.000 0.788 317 P CB 0.866 32.579 31.700 0.022 0.000 0.949 318 L N -0.843 120.389 121.223 0.014 0.000 2.549 318 L HA 0.336 nan 4.340 nan 0.000 0.259 318 L C -0.769 176.127 176.870 0.043 0.000 0.934 318 L CA -0.516 54.360 54.840 0.059 0.000 0.865 318 L CB 3.884 45.933 42.059 -0.017 0.000 1.352 318 L HN -0.005 8.196 8.230 -0.048 0.000 0.410 319 W N 0.905 122.167 121.300 -0.064 0.000 2.303 319 W HA 0.272 nan 4.660 nan 0.000 0.334 319 W C -0.813 175.649 176.519 -0.095 0.000 1.197 319 W CA -0.577 56.726 57.345 -0.069 0.000 1.262 319 W CB 1.689 31.102 29.460 -0.078 0.000 1.153 319 W HN -0.041 8.393 8.180 0.423 0.000 0.596 320 I N 0.599 121.227 120.570 0.097 0.000 2.433 320 I HA 0.533 nan 4.170 nan 0.000 0.292 320 I C -1.114 174.998 176.117 -0.008 0.000 1.001 320 I CA -0.878 60.425 61.300 0.005 0.000 1.119 320 I CB 2.207 40.176 38.000 -0.050 0.000 1.289 320 I HN 0.628 8.898 8.210 0.100 0.000 0.438 321 L N 7.115 128.304 121.223 -0.055 0.000 2.297 321 L HA 0.476 nan 4.340 nan 0.000 0.277 321 L C -0.659 176.192 176.870 -0.032 0.000 1.040 321 L CA -1.332 53.427 54.840 -0.136 0.000 0.867 321 L CB -0.810 41.020 42.059 -0.382 0.000 1.244 321 L HN 0.658 8.869 8.230 -0.033 0.000 0.433 322 G N 2.046 110.828 108.800 -0.029 0.000 2.509 322 G HA2 0.293 nan 3.960 nan 0.000 0.269 322 G HA3 0.293 nan 3.960 nan 0.000 0.269 322 G C 0.108 175.015 174.900 0.012 0.000 1.416 322 G CA -1.180 43.909 45.100 -0.019 0.000 1.052 322 G HN -0.200 8.053 8.290 -0.061 0.000 0.542 323 D N 0.627 121.014 120.400 -0.022 0.000 2.221 323 D HA -0.268 nan 4.640 nan 0.000 0.204 323 D C 2.816 179.109 176.300 -0.012 0.000 0.982 323 D CA 3.019 57.002 54.000 -0.028 0.000 0.857 323 D CB -0.334 40.438 40.800 -0.046 0.000 0.934 323 D HN 0.090 8.438 8.370 -0.038 0.000 0.475 324 V N -0.103 119.807 119.914 -0.006 0.000 2.332 324 V HA -0.395 nan 4.120 nan 0.000 0.248 324 V C 1.639 177.771 176.094 0.063 0.000 1.055 324 V CA 4.068 66.371 62.300 0.005 0.000 1.038 324 V CB -0.476 31.322 31.823 -0.042 0.000 0.651 324 V HN -0.255 7.912 8.190 -0.024 0.009 0.450 325 F N 0.131 120.043 119.950 -0.064 0.000 2.149 325 F HA -0.288 nan 4.527 nan 0.000 0.294 325 F C 1.286 177.091 175.800 0.009 0.000 1.095 325 F CA 3.387 61.375 58.000 -0.020 0.000 1.276 325 F CB 1.247 40.185 39.000 -0.102 0.000 1.023 325 F HN -0.531 7.780 8.300 0.176 0.095 0.480 326 I N -2.806 117.843 120.570 0.132 0.000 2.700 326 I HA -0.500 nan 4.170 nan 0.000 0.261 326 I C 1.770 177.853 176.117 -0.056 0.000 1.219 326 I CA 3.084 64.412 61.300 0.046 0.000 1.463 326 I CB -0.538 37.491 38.000 0.048 0.000 1.092 326 I HN -0.229 8.095 8.210 0.189 0.000 0.452 327 G N -2.225 106.522 108.800 -0.088 0.000 2.511 327 G HA2 -0.186 nan 3.960 nan 0.000 0.217 327 G HA3 -0.186 nan 3.960 nan 0.000 0.217 327 G C 0.033 174.830 174.900 -0.172 0.000 1.133 327 G CA 0.855 45.875 45.100 -0.133 0.000 0.792 327 G HN -0.134 8.095 8.290 -0.051 0.030 0.539 328 R N -1.288 119.048 120.500 -0.273 0.000 2.146 328 R HA 0.082 nan 4.340 nan 0.000 0.206 328 R C -0.381 175.462 176.300 -0.760 0.000 1.049 328 R CA -0.062 55.738 56.100 -0.501 0.000 1.029 328 R CB 1.970 31.900 30.300 -0.617 0.000 0.949 328 R HN -0.518 7.487 8.270 -0.253 0.114 0.471 329 Y N -1.593 118.531 120.300 -0.293 0.000 2.356 329 Y HA 0.305 nan 4.550 nan 0.000 0.334 329 Y C -1.170 174.734 175.900 0.008 0.000 0.958 329 Y CA -1.914 56.068 58.100 -0.197 0.000 1.196 329 Y CB -0.200 37.911 38.460 -0.582 0.000 1.137 329 Y HN -0.204 7.836 8.280 -0.400 0.000 0.485 330 Y N 7.467 127.834 120.300 0.112 0.000 2.810 330 Y HA -0.232 nan 4.550 nan 0.000 0.332 330 Y C -1.325 174.628 175.900 0.088 0.000 1.243 330 Y CA 1.903 60.087 58.100 0.140 0.000 1.537 330 Y CB 0.494 39.071 38.460 0.193 0.000 1.265 330 Y HN 0.267 8.828 8.280 0.340 -0.077 0.572 331 T N 8.455 122.820 114.554 -0.314 0.000 2.856 331 T HA 0.535 nan 4.350 nan 0.000 0.283 331 T C -1.975 172.338 174.700 -0.646 0.000 1.008 331 T CA -0.558 61.314 62.100 -0.381 0.000 0.997 331 T CB 2.291 70.981 68.868 -0.296 0.000 0.992 331 T HN -0.009 7.951 8.240 -0.466 0.000 0.454 332 V N 4.523 123.978 119.914 -0.766 0.000 2.407 332 V HA 0.720 nan 4.120 nan 0.000 0.291 332 V C -1.469 174.106 176.094 -0.864 0.000 1.018 332 V CA -1.007 60.924 62.300 -0.614 0.000 0.842 332 V CB 2.041 33.659 31.823 -0.342 0.000 0.996 332 V HN 0.884 8.555 8.190 -0.865 0.000 0.426 333 F N 7.549 126.976 119.950 -0.872 0.000 2.385 333 F HA 0.393 nan 4.527 nan 0.000 0.360 333 F C -1.428 173.872 175.800 -0.834 0.000 1.122 333 F CA -1.225 56.022 58.000 -1.256 0.000 1.090 333 F CB 1.501 39.198 39.000 -2.172 0.000 1.150 333 F HN 0.813 8.665 8.300 -0.747 0.000 0.472 334 D N 4.550 124.860 120.400 -0.150 0.000 2.443 334 D HA 0.275 nan 4.640 nan 0.000 0.221 334 D C 0.622 177.116 176.300 0.324 0.000 1.097 334 D CA -1.718 52.332 54.000 0.083 0.000 0.865 334 D CB 1.083 41.927 40.800 0.073 0.000 1.034 334 D HN 0.376 8.709 8.370 -0.062 0.000 0.511 335 R N 5.644 126.357 120.500 0.356 0.000 2.189 335 R HA -0.160 nan 4.340 nan 0.000 0.218 335 R C 1.099 177.556 176.300 0.263 0.000 1.074 335 R CA 1.439 57.764 56.100 0.374 0.000 0.991 335 R CB -0.161 30.416 30.300 0.461 0.000 0.883 335 R HN 0.332 8.781 8.270 0.299 0.000 0.457 336 D N -1.911 118.617 120.400 0.213 0.000 2.178 336 D HA -0.060 nan 4.640 nan 0.000 0.202 336 D C 0.706 177.069 176.300 0.105 0.000 0.974 336 D CA 2.269 56.353 54.000 0.140 0.000 0.841 336 D CB 0.131 40.994 40.800 0.104 0.000 0.953 336 D HN -0.480 8.064 8.370 0.225 -0.039 0.478 337 N N -3.594 115.168 118.700 0.105 0.000 2.184 337 N HA 0.181 nan 4.740 nan 0.000 0.234 337 N C -1.554 174.021 175.510 0.108 0.000 1.282 337 N CA -0.467 52.623 53.050 0.067 0.000 0.877 337 N CB 1.730 40.211 38.487 -0.011 0.000 1.184 337 N HN -0.612 8.016 8.380 0.135 -0.167 0.510 338 N N -1.166 117.654 118.700 0.200 0.000 2.669 338 N HA -0.470 nan 4.740 nan 0.000 0.266 338 N C -1.944 173.723 175.510 0.262 0.000 1.024 338 N CA 1.384 54.599 53.050 0.274 0.000 0.766 338 N CB -1.580 37.014 38.487 0.178 0.000 0.898 338 N HN -0.156 8.358 8.380 0.223 0.000 0.548 339 R N -6.865 113.827 120.500 0.320 0.000 2.764 339 R HA 0.878 nan 4.340 nan 0.000 0.270 339 R C -2.329 174.111 176.300 0.234 0.000 1.014 339 R CA -1.449 54.800 56.100 0.248 0.000 0.904 339 R CB 3.902 34.284 30.300 0.137 0.000 1.236 339 R HN -0.697 7.801 8.270 0.379 0.000 0.466 340 V N -1.387 118.567 119.914 0.067 0.000 2.628 340 V HA 0.756 nan 4.120 nan 0.000 0.306 340 V C -1.387 174.395 176.094 -0.521 0.000 1.045 340 V CA -2.010 60.096 62.300 -0.324 0.000 0.905 340 V CB 2.913 34.488 31.823 -0.413 0.000 0.997 340 V HN 0.771 9.006 8.190 0.075 0.000 0.436 341 G N 2.583 110.881 108.800 -0.836 0.000 2.524 341 G HA2 0.908 nan 3.960 nan 0.000 0.310 341 G HA3 0.908 nan 3.960 nan 0.000 0.310 341 G C -2.970 171.323 174.900 -1.012 0.000 1.279 341 G CA -1.364 43.061 45.100 -1.124 0.000 0.974 341 G HN 0.530 8.199 8.290 -0.858 0.105 0.484 342 F N 0.440 120.184 119.950 -0.344 0.000 2.563 342 F HA 0.899 nan 4.527 nan 0.000 0.316 342 F C -2.005 173.778 175.800 -0.029 0.000 1.076 342 F CA -2.187 55.730 58.000 -0.138 0.000 0.921 342 F CB 4.409 43.370 39.000 -0.064 0.000 1.209 342 F HN 0.567 8.599 8.300 -0.448 0.000 0.462 343 A N -0.429 122.555 122.820 0.274 0.000 2.587 343 A HA 0.546 nan 4.320 nan 0.000 0.293 343 A C -2.218 175.571 177.584 0.343 0.000 1.087 343 A CA -1.331 50.844 52.037 0.229 0.000 0.692 343 A CB 3.449 22.451 19.000 0.003 0.000 1.291 343 A HN 0.567 8.916 8.150 0.331 0.000 0.407 344 E N -0.200 120.172 120.200 0.287 0.000 2.493 344 E HA -0.193 nan 4.350 nan 0.000 0.255 344 E C -0.331 176.350 176.600 0.135 0.000 0.999 344 E CA 0.686 57.166 56.400 0.133 0.000 0.934 344 E CB 0.447 30.196 29.700 0.083 0.000 0.940 344 E HN 0.344 8.855 8.360 0.252 0.000 0.473 345 A N 5.275 128.143 122.820 0.081 0.000 2.407 345 A HA 0.129 nan 4.320 nan 0.000 0.248 345 A C -1.544 176.126 177.584 0.144 0.000 1.082 345 A CA -0.193 51.978 52.037 0.224 0.000 0.785 345 A CB 0.844 20.001 19.000 0.262 0.000 1.020 345 A HN 0.419 8.506 8.150 -0.106 0.000 0.489 346 A N 0.000 122.923 122.820 0.171 0.000 2.254 346 A HA 0.000 nan 4.320 nan 0.000 0.244 346 A CA 0.000 52.087 52.037 0.084 0.000 0.836 346 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 346 A HN 0.000 8.200 8.150 0.245 0.097 0.486