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 2zmi_1_A DATA FIRST_RESID 121 DATA SEQUENCE RPKLSEEQQH IIAILLDAHH KTYDPTYADF RDFRPPVRMX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXSPL DATA SEQUENCE SMLPHLADLV SYSIQKVIGF AKMIPGFRDL TSDDQIVLLK SSAIEVIMLR DATA SEQUENCE SNQSFTMDDM SWDCGSQDYK YDVTDVSKAG HTLELIEPLI KFQVGLKKLN DATA SEQUENCE LHEEEHVLLM AICIVSPDRP GVQDAKLVEA IQDRLSNTLQ TYIRCRHPPP DATA SEQUENCE GSHQLYAKMI QKLADLRSLN EEHSKQYRSL SFQPENSMKL TPLVLEVFGN 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 121 R HA 0.000 nan 4.340 nan 0.000 0.208 121 R C 0.000 176.294 176.300 -0.010 0.000 0.893 121 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 121 R CB 0.000 30.296 30.300 -0.006 0.000 0.687 122 P HA 0.230 nan 4.420 nan 0.000 0.271 122 P C -1.149 176.143 177.300 -0.013 0.000 1.226 122 P CA -0.156 62.934 63.100 -0.017 0.000 0.765 122 P CB 0.789 32.474 31.700 -0.025 0.000 0.835 123 K N 3.004 123.400 120.400 -0.007 0.000 2.581 123 K HA 0.322 4.646 4.320 0.006 0.000 0.249 123 K C -0.449 176.157 176.600 0.011 0.000 0.966 123 K CA -0.627 55.660 56.287 -0.000 0.000 0.811 123 K CB 2.207 34.708 32.500 0.002 0.000 1.223 123 K HN 0.469 nan 8.250 nan 0.000 0.438 124 L N 3.223 124.458 121.223 0.021 0.000 2.500 124 L HA 0.037 4.380 4.340 0.006 0.000 0.272 124 L C 1.160 178.055 176.870 0.042 0.000 1.149 124 L CA 0.110 54.977 54.840 0.045 0.000 0.897 124 L CB 0.290 42.394 42.059 0.074 0.000 1.178 124 L HN 0.681 nan 8.230 nan 0.000 0.473 125 S N 2.335 118.058 115.700 0.039 0.000 2.596 125 S HA 0.066 4.539 4.470 0.006 0.000 0.260 125 S C 1.047 175.675 174.600 0.046 0.000 1.336 125 S CA -0.727 57.494 58.200 0.035 0.000 0.993 125 S CB 0.999 64.216 63.200 0.029 0.000 0.923 125 S HN 0.595 nan 8.310 nan 0.000 0.567 126 E N 0.782 121.004 120.200 0.036 0.000 2.118 126 E HA -0.223 4.130 4.350 0.006 0.000 0.195 126 E C 1.897 178.536 176.600 0.065 0.000 0.992 126 E CA 1.594 58.018 56.400 0.040 0.000 0.804 126 E CB -0.330 29.376 29.700 0.011 0.000 0.741 126 E HN 0.926 nan 8.360 nan 0.000 0.458 127 E N 0.965 121.200 120.200 0.058 0.000 2.072 127 E HA -0.206 4.147 4.350 0.006 0.000 0.191 127 E C 2.064 178.734 176.600 0.116 0.000 0.985 127 E CA 0.969 57.423 56.400 0.090 0.000 0.801 127 E CB 0.098 29.833 29.700 0.058 0.000 0.750 127 E HN 0.263 nan 8.360 nan 0.000 0.452 128 Q N -0.051 119.799 119.800 0.084 0.000 2.119 128 Q HA -0.179 4.164 4.340 0.006 0.000 0.201 128 Q C 2.275 178.331 176.000 0.095 0.000 0.972 128 Q CA 1.452 57.302 55.803 0.079 0.000 0.847 128 Q CB 0.006 28.787 28.738 0.071 0.000 0.903 128 Q HN 0.403 nan 8.270 nan 0.000 0.433 129 Q N -0.572 119.294 119.800 0.109 0.000 2.124 129 Q HA -0.215 4.128 4.340 0.006 0.000 0.202 129 Q C 1.850 177.927 176.000 0.127 0.000 0.977 129 Q CA 1.358 57.231 55.803 0.118 0.000 0.850 129 Q CB -0.151 28.653 28.738 0.109 0.000 0.901 129 Q HN 0.447 nan 8.270 nan 0.000 0.429 130 H N 0.835 119.924 119.070 0.030 0.000 2.357 130 H HA -0.025 4.534 4.556 0.005 0.000 0.301 130 H C 1.784 177.117 175.328 0.009 0.000 1.082 130 H CA 1.444 57.503 56.048 0.019 0.000 1.342 130 H CB -0.114 29.657 29.762 0.014 0.000 1.389 130 H HN 0.127 nan 8.280 nan 0.000 0.511 131 I N -0.019 120.536 120.570 -0.026 0.000 2.163 131 I HA -0.292 3.881 4.170 0.006 0.000 0.243 131 I C 2.216 178.272 176.117 -0.102 0.000 1.085 131 I CA 1.516 62.758 61.300 -0.097 0.000 1.347 131 I CB -0.285 37.704 38.000 -0.019 0.000 1.044 131 I HN 0.305 nan 8.210 nan 0.000 0.408 132 I N 0.614 121.157 120.570 -0.044 0.000 2.179 132 I HA -0.283 3.890 4.170 0.006 0.000 0.242 132 I C 2.825 178.909 176.117 -0.055 0.000 1.088 132 I CA 1.313 62.584 61.300 -0.050 0.000 1.357 132 I CB -0.517 37.472 38.000 -0.017 0.000 1.051 132 I HN 0.188 nan 8.210 nan 0.000 0.409 133 A N 1.120 123.916 122.820 -0.040 0.000 1.908 133 A HA -0.200 4.123 4.320 0.006 0.000 0.218 133 A C 2.299 179.831 177.584 -0.086 0.000 1.181 133 A CA 1.634 53.652 52.037 -0.031 0.000 0.627 133 A CB -0.862 18.144 19.000 0.011 0.000 0.818 133 A HN 0.392 nan 8.150 nan 0.000 0.445 134 I N -0.484 119.975 120.570 -0.184 0.000 2.226 134 I HA -0.250 3.923 4.170 0.006 0.000 0.245 134 I C 2.351 178.373 176.117 -0.157 0.000 1.100 134 I CA 1.119 62.297 61.300 -0.204 0.000 1.374 134 I CB -0.266 37.549 38.000 -0.309 0.000 1.057 134 I HN 0.298 nan 8.210 nan 0.000 0.413 135 L N -0.058 121.079 121.223 -0.144 0.000 2.109 135 L HA -0.174 4.169 4.340 0.006 0.000 0.207 135 L C 2.497 179.364 176.870 -0.005 0.000 1.086 135 L CA 1.039 55.817 54.840 -0.102 0.000 0.760 135 L CB -0.436 41.589 42.059 -0.057 0.000 0.910 135 L HN 0.259 nan 8.230 nan 0.000 0.437 136 L N -0.205 120.973 121.223 -0.076 0.000 2.017 136 L HA -0.263 4.080 4.340 0.006 0.000 0.208 136 L C 2.235 178.866 176.870 -0.399 0.000 1.073 136 L CA 1.612 56.320 54.840 -0.219 0.000 0.745 136 L CB -0.540 41.447 42.059 -0.120 0.000 0.894 136 L HN 0.295 nan 8.230 nan 0.000 0.432 137 D N -0.136 120.189 120.400 -0.124 0.000 2.117 137 D HA -0.170 4.474 4.640 0.006 0.000 0.197 137 D C 2.159 178.469 176.300 0.017 0.000 0.987 137 D CA 1.286 55.286 54.000 -0.000 0.000 0.829 137 D CB 0.131 40.949 40.800 0.030 0.000 0.961 137 D HN 0.253 nan 8.370 nan 0.000 0.460 138 A N -0.565 122.254 122.820 -0.000 0.000 1.908 138 A HA -0.232 4.092 4.320 0.006 0.000 0.218 138 A C 2.137 179.886 177.584 0.275 0.000 1.181 138 A CA 2.086 54.152 52.037 0.048 0.000 0.627 138 A CB -1.116 17.777 19.000 -0.179 0.000 0.818 138 A HN 0.492 nan 8.150 nan 0.000 0.445 139 H N -0.758 118.448 119.070 0.226 0.000 2.326 139 H HA -0.117 4.443 4.556 0.006 0.000 0.301 139 H C 1.853 177.282 175.328 0.169 0.000 1.081 139 H CA 2.182 58.345 56.048 0.191 0.000 1.334 139 H CB -0.510 29.265 29.762 0.022 0.000 1.385 139 H HN 0.753 nan 8.280 nan 0.000 0.504 140 H N -0.225 118.888 119.070 0.072 0.000 2.421 140 H HA -0.047 4.511 4.556 0.004 0.000 0.298 140 H C 1.841 177.166 175.328 -0.005 0.000 1.087 140 H CA 1.058 57.097 56.048 -0.014 0.000 1.330 140 H CB 0.238 30.023 29.762 0.039 0.000 1.388 140 H HN 0.299 nan 8.280 nan 0.000 0.526 141 K N 0.178 120.663 120.400 0.142 0.000 2.432 141 K HA -0.028 4.295 4.320 0.006 0.000 0.196 141 K C 1.280 177.918 176.600 0.065 0.000 1.038 141 K CA 1.428 57.768 56.287 0.088 0.000 0.986 141 K CB 0.435 32.978 32.500 0.071 0.000 0.782 141 K HN 0.397 nan 8.250 nan 0.000 0.485 142 T N -3.634 110.967 114.554 0.077 0.000 3.043 142 T HA 0.089 4.442 4.350 0.006 0.000 0.272 142 T C -0.437 174.303 174.700 0.067 0.000 0.990 142 T CA -0.460 61.679 62.100 0.066 0.000 0.897 142 T CB -0.021 68.926 68.868 0.132 0.000 1.111 142 T HN 0.022 nan 8.240 nan 0.000 0.529 143 Y N 2.318 122.536 120.300 -0.137 0.000 2.349 143 Y HA 0.522 5.075 4.550 0.006 0.000 0.324 143 Y C -1.380 174.441 175.900 -0.132 0.000 1.005 143 Y CA -1.801 56.215 58.100 -0.140 0.000 1.240 143 Y CB 1.285 39.507 38.460 -0.397 0.000 1.117 143 Y HN 0.069 nan 8.280 nan 0.000 0.463 144 D N 8.279 128.555 120.400 -0.207 0.000 2.365 144 D HA 0.252 4.895 4.640 0.006 0.000 0.237 144 D C -1.893 174.089 176.300 -0.531 0.000 1.190 144 D CA -2.494 51.374 54.000 -0.220 0.000 0.867 144 D CB 1.607 42.328 40.800 -0.130 0.000 1.050 144 D HN 0.312 nan 8.370 nan 0.000 0.491 145 P HA -0.069 nan 4.420 nan 0.000 0.242 145 P C 0.936 177.842 177.300 -0.657 0.000 1.197 145 P CA 0.685 63.473 63.100 -0.520 0.000 0.765 145 P CB -0.009 31.628 31.700 -0.105 0.000 0.936 146 T N -5.430 108.841 114.554 -0.472 0.000 3.067 146 T HA -0.064 4.289 4.350 0.006 0.000 0.257 146 T C 0.779 175.339 174.700 -0.234 0.000 1.105 146 T CA -0.137 61.811 62.100 -0.253 0.000 1.104 146 T CB -1.243 67.548 68.868 -0.130 0.000 0.925 146 T HN 0.028 nan 8.240 nan 0.000 0.498 147 Y N 0.276 120.421 120.300 -0.259 0.000 3.491 147 Y HA -0.289 4.264 4.550 0.005 0.000 0.215 147 Y C 1.784 177.482 175.900 -0.337 0.000 1.219 147 Y CA -0.126 57.661 58.100 -0.522 0.000 1.485 147 Y CB -2.337 35.534 38.460 -0.981 0.000 1.450 147 Y HN 0.448 nan 8.280 nan 0.000 0.603 148 A N -0.160 122.602 122.820 -0.096 0.000 1.933 148 A HA -0.214 4.109 4.320 0.006 0.000 0.218 148 A C 1.986 179.517 177.584 -0.087 0.000 1.175 148 A CA 1.955 53.959 52.037 -0.054 0.000 0.628 148 A CB -0.254 18.726 19.000 -0.034 0.000 0.814 148 A HN 0.534 nan 8.150 nan 0.000 0.444 149 D N -0.973 119.365 120.400 -0.104 0.000 2.310 149 D HA -0.065 4.578 4.640 0.006 0.000 0.212 149 D C 1.197 177.091 176.300 -0.676 0.000 0.965 149 D CA 0.606 54.465 54.000 -0.234 0.000 0.879 149 D CB -0.328 40.388 40.800 -0.140 0.000 0.921 149 D HN 0.438 nan 8.370 nan 0.000 0.510 150 F N 1.334 120.614 119.950 -1.117 0.000 2.333 150 F HA -0.040 4.489 4.527 0.004 0.000 0.300 150 F C 2.223 177.319 175.800 -1.173 0.000 1.083 150 F CA 0.619 57.546 58.000 -1.788 0.000 1.395 150 F CB -0.325 37.826 39.000 -1.415 0.000 1.056 150 F HN -0.089 nan 8.300 nan 0.000 0.529 151 R N -0.125 120.155 120.500 -0.366 0.000 2.237 151 R HA -0.106 4.238 4.340 0.006 0.000 0.219 151 R C 0.943 177.222 176.300 -0.035 0.000 1.080 151 R CA 1.139 57.232 56.100 -0.013 0.000 0.995 151 R CB -0.302 30.041 30.300 0.073 0.000 0.875 151 R HN 0.238 nan 8.270 nan 0.000 0.462 152 D N -0.265 120.035 120.400 -0.167 0.000 2.350 152 D HA 0.034 4.678 4.640 0.006 0.000 0.213 152 D C 0.332 176.716 176.300 0.139 0.000 1.031 152 D CA 0.273 54.267 54.000 -0.011 0.000 0.861 152 D CB 0.129 40.928 40.800 -0.001 0.000 0.926 152 D HN 0.086 nan 8.370 nan 0.000 0.520 153 F N 1.360 121.260 119.950 -0.084 0.000 2.496 153 F HA 0.181 4.709 4.527 0.002 0.000 0.344 153 F C 1.468 177.302 175.800 0.056 0.000 1.155 153 F CA -0.945 56.992 58.000 -0.105 0.000 1.302 153 F CB 0.659 39.476 39.000 -0.305 0.000 1.159 153 F HN -0.511 nan 8.300 nan 0.000 0.595 154 R N 2.772 123.414 120.500 0.238 0.000 2.537 154 R HA 0.024 4.367 4.340 0.006 0.000 0.281 154 R C -2.260 174.247 176.300 0.344 0.000 0.988 154 R CA -1.253 54.971 56.100 0.207 0.000 1.077 154 R CB -0.347 30.023 30.300 0.117 0.000 0.932 154 R HN 0.234 nan 8.270 nan 0.000 0.409 155 P HA -0.034 nan 4.420 nan 0.000 0.264 155 P C -2.434 174.947 177.300 0.135 0.000 1.183 155 P CA -0.837 62.382 63.100 0.199 0.000 0.763 155 P CB 0.039 31.807 31.700 0.113 0.000 0.807 156 P HA 0.129 nan 4.420 nan 0.000 0.279 156 P C -0.732 176.570 177.300 0.004 0.000 1.239 156 P CA -0.108 62.939 63.100 -0.088 0.000 0.789 156 P CB 0.742 32.245 31.700 -0.327 0.000 0.933 157 V N 5.218 125.161 119.914 0.048 0.000 2.376 157 V HA 0.373 4.496 4.120 0.006 0.000 0.287 157 V C 0.441 176.561 176.094 0.044 0.000 1.015 157 V CA -0.511 61.812 62.300 0.038 0.000 0.834 157 V CB 1.150 33.000 31.823 0.044 0.000 1.001 157 V HN 0.454 nan 8.190 nan 0.000 0.428 158 R N 5.173 125.691 120.500 0.028 0.000 2.358 158 R HA 0.650 4.993 4.340 0.006 0.000 0.309 158 R C -0.473 175.840 176.300 0.022 0.000 1.026 158 R CA -0.392 55.728 56.100 0.033 0.000 0.909 158 R CB 1.647 31.964 30.300 0.029 0.000 1.153 158 R HN 0.614 nan 8.270 nan 0.000 0.515 219 P HA 0.311 nan 4.420 nan 0.000 0.241 219 P C 0.035 177.340 177.300 0.009 0.000 1.760 219 P CA 0.021 63.127 63.100 0.010 0.000 1.081 219 P CB -0.688 31.015 31.700 0.006 0.000 1.975 220 L N 0.663 121.894 121.223 0.012 0.000 3.487 220 L HA -0.231 4.112 4.340 0.006 0.000 0.450 220 L C 1.544 178.428 176.870 0.024 0.000 1.290 220 L CA 0.549 55.395 54.840 0.011 0.000 0.874 220 L CB -2.726 39.328 42.059 -0.009 0.000 1.804 220 L HN 0.350 nan 8.230 nan 0.000 0.831 221 S N -1.577 114.145 115.700 0.037 0.000 2.447 221 S HA 0.009 4.483 4.470 0.006 0.000 0.233 221 S C 1.474 176.114 174.600 0.068 0.000 1.006 221 S CA 0.735 58.963 58.200 0.046 0.000 0.957 221 S CB 0.065 63.292 63.200 0.044 0.000 0.773 221 S HN 0.515 nan 8.310 nan 0.000 0.507 222 M N 0.805 120.453 119.600 0.079 0.000 2.428 222 M HA 0.379 4.862 4.480 0.006 0.000 0.239 222 M C 1.599 177.958 176.300 0.099 0.000 1.121 222 M CA 0.030 55.401 55.300 0.119 0.000 1.019 222 M CB -0.734 31.951 32.600 0.143 0.000 1.485 222 M HN 0.418 nan 8.290 nan 0.000 0.484 223 L N 1.527 122.783 121.223 0.055 0.000 2.012 223 L HA -0.104 4.239 4.340 0.006 0.000 0.210 223 L C -0.759 176.124 176.870 0.021 0.000 1.073 223 L CA 1.994 56.848 54.840 0.024 0.000 0.748 223 L CB -1.263 40.797 42.059 0.002 0.000 0.891 223 L HN 0.118 nan 8.230 nan 0.000 0.431 224 P HA -0.187 nan 4.420 nan 0.000 0.215 224 P C 1.082 178.397 177.300 0.025 0.000 1.157 224 P CA 1.657 64.775 63.100 0.030 0.000 0.863 224 P CB -0.110 31.623 31.700 0.055 0.000 0.787 225 H N -0.567 118.506 119.070 0.006 0.000 2.357 225 H HA -0.010 4.550 4.556 0.007 0.000 0.301 225 H C 1.778 177.036 175.328 -0.116 0.000 1.082 225 H CA 1.434 57.492 56.048 0.016 0.000 1.342 225 H CB -0.847 28.998 29.762 0.138 0.000 1.389 225 H HN -0.040 nan 8.280 nan 0.000 0.511 226 L N -0.501 120.657 121.223 -0.107 0.000 2.240 226 L HA 0.040 4.383 4.340 0.006 0.000 0.211 226 L C 2.717 179.439 176.870 -0.247 0.000 1.106 226 L CA 0.616 55.312 54.840 -0.240 0.000 0.793 226 L CB -0.503 41.494 42.059 -0.103 0.000 0.927 226 L HN 0.403 nan 8.230 nan 0.000 0.446 227 A N 0.268 122.989 122.820 -0.164 0.000 1.908 227 A HA -0.247 4.076 4.320 0.006 0.000 0.218 227 A C 1.879 179.285 177.584 -0.298 0.000 1.181 227 A CA 2.122 54.072 52.037 -0.146 0.000 0.627 227 A CB -0.445 18.507 19.000 -0.081 0.000 0.818 227 A HN 0.314 nan 8.150 nan 0.000 0.445 228 D N -0.727 119.406 120.400 -0.447 0.000 2.149 228 D HA -0.084 4.559 4.640 0.006 0.000 0.201 228 D C 1.833 177.392 176.300 -1.234 0.000 0.972 228 D CA 1.048 54.609 54.000 -0.731 0.000 0.835 228 D CB -0.328 40.029 40.800 -0.739 0.000 0.966 228 D HN 0.342 nan 8.370 nan 0.000 0.476 229 L N 0.469 120.935 121.223 -1.261 0.000 2.046 229 L HA -0.103 4.241 4.340 0.006 0.000 0.208 229 L C 2.052 178.593 176.870 -0.547 0.000 1.077 229 L CA 1.408 55.566 54.840 -1.137 0.000 0.747 229 L CB -0.593 40.974 42.059 -0.820 0.000 0.896 229 L HN -0.118 nan 8.230 nan 0.000 0.432 230 V N -1.092 118.586 119.914 -0.393 0.000 2.358 230 V HA -0.233 3.890 4.120 0.006 0.000 0.246 230 V C 2.744 178.701 176.094 -0.229 0.000 1.047 230 V CA 1.772 63.945 62.300 -0.211 0.000 1.035 230 V CB -0.578 31.202 31.823 -0.073 0.000 0.658 230 V HN 0.597 nan 8.190 nan 0.000 0.452 231 S N -1.311 114.220 115.700 -0.282 0.000 2.356 231 S HA -0.253 4.220 4.470 0.006 0.000 0.223 231 S C 1.984 176.470 174.600 -0.190 0.000 1.032 231 S CA 1.948 59.996 58.200 -0.253 0.000 1.005 231 S CB -0.442 62.615 63.200 -0.238 0.000 0.867 231 S HN 0.678 nan 8.310 nan 0.000 0.449 232 Y N 2.005 122.086 120.300 -0.366 0.000 2.128 232 Y HA -0.154 4.399 4.550 0.005 0.000 0.284 232 Y C 2.528 178.350 175.900 -0.131 0.000 1.154 232 Y CA 2.109 60.072 58.100 -0.229 0.000 1.149 232 Y CB -0.697 37.604 38.460 -0.264 0.000 0.976 232 Y HN 0.262 nan 8.280 nan 0.000 0.505 233 S N 0.471 116.158 115.700 -0.022 0.000 2.402 233 S HA -0.148 4.325 4.470 0.006 0.000 0.229 233 S C 1.987 176.521 174.600 -0.110 0.000 1.021 233 S CA 1.473 59.652 58.200 -0.035 0.000 0.974 233 S CB -0.443 62.775 63.200 0.030 0.000 0.800 233 S HN 0.498 nan 8.310 nan 0.000 0.484 234 I N 1.695 122.175 120.570 -0.151 0.000 2.226 234 I HA -0.255 3.919 4.170 0.006 0.000 0.245 234 I C 2.674 178.700 176.117 -0.151 0.000 1.100 234 I CA 1.226 62.427 61.300 -0.165 0.000 1.374 234 I CB -0.443 37.404 38.000 -0.255 0.000 1.057 234 I HN 0.336 nan 8.210 nan 0.000 0.413 235 Q N 0.588 120.278 119.800 -0.183 0.000 2.096 235 Q HA -0.220 4.124 4.340 0.006 0.000 0.204 235 Q C 2.212 178.111 176.000 -0.168 0.000 0.982 235 Q CA 1.286 56.984 55.803 -0.173 0.000 0.850 235 Q CB -0.074 28.542 28.738 -0.203 0.000 0.901 235 Q HN 0.370 nan 8.270 nan 0.000 0.422 236 K N 0.114 120.380 120.400 -0.224 0.000 2.103 236 K HA -0.054 4.270 4.320 0.006 0.000 0.204 236 K C 2.117 178.704 176.600 -0.021 0.000 1.052 236 K CA 0.693 56.891 56.287 -0.148 0.000 0.945 236 K CB -0.466 31.920 32.500 -0.190 0.000 0.722 236 K HN 0.084 nan 8.250 nan 0.000 0.443 237 V N 1.955 121.852 119.914 -0.028 0.000 2.343 237 V HA -0.213 3.911 4.120 0.006 0.000 0.247 237 V C 2.341 178.445 176.094 0.018 0.000 1.051 237 V CA 1.398 63.707 62.300 0.015 0.000 1.036 237 V CB -0.400 31.411 31.823 -0.019 0.000 0.654 237 V HN 0.181 nan 8.190 nan 0.000 0.451 238 I N 0.631 121.180 120.570 -0.035 0.000 2.163 238 I HA -0.195 3.978 4.170 0.006 0.000 0.243 238 I C 2.595 178.678 176.117 -0.056 0.000 1.085 238 I CA 1.791 63.060 61.300 -0.052 0.000 1.347 238 I CB -0.946 37.026 38.000 -0.046 0.000 1.044 238 I HN 0.412 nan 8.210 nan 0.000 0.408 239 G N 0.489 109.273 108.800 -0.027 0.000 2.418 239 G HA2 -0.312 3.652 3.960 0.006 0.000 0.217 239 G HA3 -0.312 3.652 3.960 0.006 0.000 0.217 239 G C 1.618 176.517 174.900 -0.002 0.000 1.158 239 G CA 0.547 45.637 45.100 -0.017 0.000 0.771 239 G HN 0.349 nan 8.290 nan 0.000 0.545 240 F N 2.408 122.296 119.950 -0.102 0.000 2.102 240 F HA 0.064 4.593 4.527 0.004 0.000 0.298 240 F C 2.797 178.474 175.800 -0.204 0.000 1.105 240 F CA 1.415 59.353 58.000 -0.103 0.000 1.239 240 F CB -0.291 38.678 39.000 -0.052 0.000 0.991 240 F HN 0.227 nan 8.300 nan 0.000 0.474 241 A N 0.567 123.255 122.820 -0.221 0.000 1.908 241 A HA -0.240 4.084 4.320 0.006 0.000 0.218 241 A C 2.242 179.313 177.584 -0.856 0.000 1.181 241 A CA 1.935 53.569 52.037 -0.671 0.000 0.627 241 A CB -0.785 17.748 19.000 -0.779 0.000 0.818 241 A HN 0.462 nan 8.150 nan 0.000 0.445 242 K N -1.058 119.072 120.400 -0.450 0.000 2.281 242 K HA -0.049 4.274 4.320 0.006 0.000 0.203 242 K C 1.542 178.065 176.600 -0.128 0.000 1.046 242 K CA 1.434 57.631 56.287 -0.149 0.000 0.938 242 K CB -0.231 32.249 32.500 -0.034 0.000 0.737 242 K HN 0.560 nan 8.250 nan 0.000 0.458 243 M N 0.523 119.965 119.600 -0.264 0.000 2.428 243 M HA 0.125 4.609 4.480 0.006 0.000 0.239 243 M C 0.225 176.348 176.300 -0.295 0.000 1.121 243 M CA 0.079 55.234 55.300 -0.241 0.000 1.019 243 M CB 0.329 32.778 32.600 -0.252 0.000 1.485 243 M HN -0.043 nan 8.290 nan 0.000 0.484 244 I N 2.908 123.259 120.570 -0.365 0.000 2.587 244 I HA 0.052 4.226 4.170 0.006 0.000 0.284 244 I C -2.010 174.057 176.117 -0.082 0.000 1.134 244 I CA -1.750 59.384 61.300 -0.278 0.000 1.410 244 I CB -0.009 37.831 38.000 -0.266 0.000 1.392 244 I HN -0.206 nan 8.210 nan 0.000 0.545 245 P HA -0.004 nan 4.420 nan 0.000 0.260 245 P C 0.857 178.174 177.300 0.028 0.000 1.185 245 P CA 0.808 63.896 63.100 -0.020 0.000 0.763 245 P CB 0.551 32.233 31.700 -0.030 0.000 0.776 246 G N 2.958 111.785 108.800 0.046 0.000 2.279 246 G HA2 -0.371 3.592 3.960 0.006 0.000 0.223 246 G HA3 -0.371 3.592 3.960 0.006 0.000 0.223 246 G C 0.892 175.833 174.900 0.068 0.000 1.015 246 G CA 0.143 45.271 45.100 0.047 0.000 0.621 246 G HN 0.482 nan 8.290 nan 0.000 0.506 247 F N 3.065 122.987 119.950 -0.045 0.000 2.161 247 F HA -0.050 4.478 4.527 0.003 0.000 0.300 247 F C 2.804 178.584 175.800 -0.033 0.000 1.089 247 F CA 2.411 60.386 58.000 -0.042 0.000 1.282 247 F CB -0.092 38.872 39.000 -0.060 0.000 1.010 247 F HN 0.382 nan 8.300 nan 0.000 0.485 248 R N -0.350 120.202 120.500 0.088 0.000 2.237 248 R HA -0.097 4.246 4.340 0.006 0.000 0.219 248 R C 1.184 177.444 176.300 -0.067 0.000 1.080 248 R CA 1.551 57.656 56.100 0.008 0.000 0.995 248 R CB -0.854 29.479 30.300 0.054 0.000 0.875 248 R HN 0.188 nan 8.270 nan 0.000 0.462 249 D N 1.198 121.557 120.400 -0.067 0.000 2.312 249 D HA 0.040 4.684 4.640 0.006 0.000 0.211 249 D C 0.706 176.941 176.300 -0.108 0.000 0.964 249 D CA 0.562 54.522 54.000 -0.066 0.000 0.877 249 D CB 0.038 40.814 40.800 -0.040 0.000 0.924 249 D HN 0.224 nan 8.370 nan 0.000 0.515 250 L N 1.147 122.255 121.223 -0.192 0.000 2.452 250 L HA 0.114 4.458 4.340 0.006 0.000 0.267 250 L C 1.270 178.026 176.870 -0.189 0.000 1.188 250 L CA -0.462 54.246 54.840 -0.221 0.000 0.821 250 L CB 0.466 42.300 42.059 -0.374 0.000 1.102 250 L HN -0.015 nan 8.230 nan 0.000 0.470 251 T N -1.892 112.578 114.554 -0.141 0.000 2.855 251 T HA -0.041 4.312 4.350 0.006 0.000 0.314 251 T C 1.254 175.879 174.700 -0.125 0.000 1.077 251 T CA -0.019 62.017 62.100 -0.106 0.000 1.095 251 T CB 1.175 69.999 68.868 -0.075 0.000 0.987 251 T HN 0.679 nan 8.240 nan 0.000 0.546 252 S N 0.836 116.484 115.700 -0.086 0.000 2.370 252 S HA -0.182 4.291 4.470 0.006 0.000 0.226 252 S C 1.532 176.096 174.600 -0.061 0.000 1.033 252 S CA 1.831 59.990 58.200 -0.069 0.000 1.011 252 S CB -0.915 62.262 63.200 -0.039 0.000 0.852 252 S HN 0.788 nan 8.310 nan 0.000 0.457 253 D N 1.123 121.491 120.400 -0.053 0.000 2.117 253 D HA -0.066 4.578 4.640 0.006 0.000 0.197 253 D C 1.694 177.966 176.300 -0.047 0.000 0.987 253 D CA 1.254 55.230 54.000 -0.038 0.000 0.829 253 D CB -0.528 40.253 40.800 -0.031 0.000 0.961 253 D HN 0.433 nan 8.370 nan 0.000 0.460 254 D N 0.116 120.469 120.400 -0.078 0.000 2.149 254 D HA -0.065 4.578 4.640 0.006 0.000 0.201 254 D C 2.121 178.352 176.300 -0.115 0.000 0.972 254 D CA 0.539 54.486 54.000 -0.089 0.000 0.835 254 D CB -0.123 40.609 40.800 -0.112 0.000 0.966 254 D HN 0.307 nan 8.370 nan 0.000 0.476 255 Q N 0.137 119.813 119.800 -0.206 0.000 2.096 255 Q HA -0.120 4.223 4.340 0.006 0.000 0.204 255 Q C 2.421 178.457 176.000 0.059 0.000 0.982 255 Q CA 0.909 56.582 55.803 -0.217 0.000 0.850 255 Q CB -0.027 28.532 28.738 -0.299 0.000 0.901 255 Q HN 0.355 nan 8.270 nan 0.000 0.422 256 I N -0.057 120.525 120.570 0.021 0.000 2.179 256 I HA -0.268 3.906 4.170 0.006 0.000 0.242 256 I C 2.240 178.385 176.117 0.047 0.000 1.088 256 I CA 0.909 62.234 61.300 0.043 0.000 1.357 256 I CB -0.336 37.673 38.000 0.016 0.000 1.051 256 I HN 0.047 nan 8.210 nan 0.000 0.409 257 V N 1.108 121.039 119.914 0.027 0.000 2.343 257 V HA -0.272 3.851 4.120 0.006 0.000 0.247 257 V C 2.373 178.498 176.094 0.052 0.000 1.051 257 V CA 1.701 64.019 62.300 0.030 0.000 1.036 257 V CB -0.502 31.328 31.823 0.013 0.000 0.654 257 V HN 0.377 nan 8.190 nan 0.000 0.451 258 L N -1.095 120.173 121.223 0.076 0.000 2.093 258 L HA -0.142 4.201 4.340 0.006 0.000 0.208 258 L C 2.351 179.298 176.870 0.129 0.000 1.085 258 L CA 1.337 56.248 54.840 0.118 0.000 0.755 258 L CB -0.391 41.784 42.059 0.194 0.000 0.904 258 L HN 0.305 nan 8.230 nan 0.000 0.435 259 L N -0.544 120.767 121.223 0.147 0.000 2.095 259 L HA -0.156 4.188 4.340 0.006 0.000 0.204 259 L C 2.589 179.497 176.870 0.065 0.000 1.080 259 L CA 1.159 56.061 54.840 0.105 0.000 0.759 259 L CB -0.261 41.866 42.059 0.113 0.000 0.914 259 L HN 0.153 nan 8.230 nan 0.000 0.439 260 K N -0.285 120.152 120.400 0.061 0.000 2.097 260 K HA -0.136 4.187 4.320 0.006 0.000 0.206 260 K C 2.263 178.910 176.600 0.077 0.000 1.049 260 K CA 1.700 58.025 56.287 0.063 0.000 0.933 260 K CB -0.110 32.422 32.500 0.053 0.000 0.717 260 K HN 0.376 nan 8.250 nan 0.000 0.442 261 S N 0.245 115.979 115.700 0.057 0.000 2.425 261 S HA -0.075 4.398 4.470 0.006 0.000 0.225 261 S C 2.015 176.631 174.600 0.027 0.000 1.024 261 S CA 1.050 59.274 58.200 0.039 0.000 0.951 261 S CB -0.012 63.206 63.200 0.030 0.000 0.796 261 S HN 0.261 nan 8.310 nan 0.000 0.498 262 S N 1.389 117.110 115.700 0.035 0.000 2.503 262 S HA 0.474 4.948 4.470 0.006 0.000 0.215 262 S C 1.970 176.574 174.600 0.008 0.000 1.003 262 S CA 0.282 58.491 58.200 0.015 0.000 0.910 262 S CB -0.354 62.863 63.200 0.028 0.000 0.790 262 S HN 0.643 nan 8.310 nan 0.000 0.514 263 A N 2.441 125.285 122.820 0.040 0.000 1.873 263 A HA -0.080 4.244 4.320 0.006 0.000 0.218 263 A C 2.124 179.729 177.584 0.034 0.000 1.193 263 A CA 1.877 53.940 52.037 0.043 0.000 0.629 263 A CB -0.985 18.056 19.000 0.068 0.000 0.826 263 A HN 0.564 nan 8.150 nan 0.000 0.447 264 I N 0.172 120.763 120.570 0.034 0.000 2.315 264 I HA -0.179 3.994 4.170 0.006 0.000 0.248 264 I C 2.147 178.158 176.117 -0.177 0.000 1.117 264 I CA 1.787 63.006 61.300 -0.136 0.000 1.404 264 I CB -0.436 37.276 38.000 -0.481 0.000 1.071 264 I HN 0.480 nan 8.210 nan 0.000 0.419 265 E N -0.439 119.675 120.200 -0.144 0.000 2.077 265 E HA -0.173 4.181 4.350 0.006 0.000 0.193 265 E C 2.232 178.775 176.600 -0.095 0.000 0.989 265 E CA 1.592 57.901 56.400 -0.152 0.000 0.800 265 E CB -0.186 29.441 29.700 -0.121 0.000 0.746 265 E HN 0.385 nan 8.360 nan 0.000 0.452 266 V N 1.419 121.295 119.914 -0.063 0.000 2.548 266 V HA -0.199 3.924 4.120 0.006 0.000 0.249 266 V C 2.193 178.271 176.094 -0.027 0.000 1.055 266 V CA 1.178 63.443 62.300 -0.059 0.000 1.065 266 V CB -0.352 31.433 31.823 -0.063 0.000 0.681 266 V HN 0.248 nan 8.190 nan 0.000 0.462 267 I N -0.477 120.080 120.570 -0.021 0.000 2.226 267 I HA -0.311 3.862 4.170 0.006 0.000 0.245 267 I C 2.519 178.659 176.117 0.037 0.000 1.100 267 I CA 1.855 63.162 61.300 0.011 0.000 1.374 267 I CB -0.290 37.693 38.000 -0.027 0.000 1.057 267 I HN 0.275 nan 8.210 nan 0.000 0.413 268 M N 0.017 119.607 119.600 -0.017 0.000 2.117 268 M HA -0.229 4.254 4.480 0.006 0.000 0.262 268 M C 2.351 178.787 176.300 0.226 0.000 1.065 268 M CA 1.895 57.226 55.300 0.052 0.000 1.114 268 M CB -0.397 32.120 32.600 -0.137 0.000 1.361 268 M HN 0.230 nan 8.290 nan 0.000 0.408 269 L N 0.025 121.348 121.223 0.166 0.000 1.994 269 L HA -0.210 4.133 4.340 0.006 0.000 0.208 269 L C 2.822 179.837 176.870 0.240 0.000 1.071 269 L CA 1.488 56.455 54.840 0.212 0.000 0.745 269 L CB -0.708 41.375 42.059 0.039 0.000 0.892 269 L HN 0.372 nan 8.230 nan 0.000 0.431 270 R N 0.110 120.709 120.500 0.166 0.000 2.148 270 R HA -0.113 4.230 4.340 0.006 0.000 0.227 270 R C 2.194 178.738 176.300 0.408 0.000 1.103 270 R CA 1.519 57.773 56.100 0.257 0.000 0.983 270 R CB -0.778 29.666 30.300 0.241 0.000 0.874 270 R HN 0.392 nan 8.270 nan 0.000 0.451 271 S N 0.608 116.558 115.700 0.417 0.000 2.474 271 S HA -0.154 4.319 4.470 0.006 0.000 0.235 271 S C 1.687 176.665 174.600 0.630 0.000 0.997 271 S CA 0.989 59.522 58.200 0.556 0.000 0.949 271 S CB -0.633 62.834 63.200 0.444 0.000 0.766 271 S HN 0.524 nan 8.310 nan 0.000 0.517 272 N N 1.184 120.146 118.700 0.438 0.000 2.364 272 N HA -0.184 4.560 4.740 0.006 0.000 0.183 272 N C 1.924 177.575 175.510 0.234 0.000 1.022 272 N CA 1.024 54.252 53.050 0.298 0.000 0.883 272 N CB -0.196 38.385 38.487 0.157 0.000 0.965 272 N HN 0.713 nan 8.380 nan 0.000 0.438 273 Q N 0.377 120.293 119.800 0.194 0.000 2.167 273 Q HA -0.094 4.249 4.340 0.006 0.000 0.202 273 Q C 1.865 178.035 176.000 0.284 0.000 0.970 273 Q CA 1.727 57.593 55.803 0.105 0.000 0.855 273 Q CB 0.079 28.768 28.738 -0.081 0.000 0.911 273 Q HN 0.407 nan 8.270 nan 0.000 0.438 274 S N -1.081 114.893 115.700 0.457 0.000 2.503 274 S HA 0.041 4.515 4.470 0.006 0.000 0.217 274 S C 0.424 175.205 174.600 0.302 0.000 0.999 274 S CA -0.623 57.828 58.200 0.418 0.000 0.914 274 S CB -0.176 63.297 63.200 0.455 0.000 0.782 274 S HN 0.337 nan 8.310 nan 0.000 0.520 275 F N 3.239 123.269 119.950 0.133 0.000 2.529 275 F HA 0.457 4.987 4.527 0.005 0.000 0.365 275 F C 0.375 176.103 175.800 -0.120 0.000 1.102 275 F CA 0.509 58.392 58.000 -0.194 0.000 1.271 275 F CB 0.921 39.707 39.000 -0.356 0.000 1.120 275 F HN 0.074 nan 8.300 nan 0.000 0.579 276 T N 6.967 121.026 114.554 -0.825 0.000 2.861 276 T HA 0.310 4.663 4.350 0.006 0.000 0.287 276 T C 0.663 174.932 174.700 -0.720 0.000 1.003 276 T CA -0.777 61.014 62.100 -0.514 0.000 0.977 276 T CB 1.164 69.857 68.868 -0.292 0.000 0.996 276 T HN 0.770 nan 8.240 nan 0.000 0.448 277 M N 2.403 121.808 119.600 -0.326 0.000 2.595 277 M HA 0.058 4.541 4.480 0.006 0.000 0.248 277 M C 1.115 177.313 176.300 -0.170 0.000 1.119 277 M CA 0.436 55.617 55.300 -0.198 0.000 1.079 277 M CB -0.069 32.520 32.600 -0.019 0.000 1.472 277 M HN 0.625 nan 8.290 nan 0.000 0.501 278 D N 2.042 122.337 120.400 -0.174 0.000 2.103 278 D HA -0.182 4.461 4.640 0.006 0.000 0.190 278 D C 0.905 177.129 176.300 -0.127 0.000 0.997 278 D CA 1.718 55.644 54.000 -0.124 0.000 0.833 278 D CB -0.243 40.489 40.800 -0.113 0.000 0.961 278 D HN 0.543 nan 8.370 nan 0.000 0.447 279 D N -1.709 118.583 120.400 -0.181 0.000 2.563 279 D HA 0.076 4.719 4.640 0.006 0.000 0.237 279 D C 0.136 176.316 176.300 -0.200 0.000 1.282 279 D CA -0.244 53.668 54.000 -0.147 0.000 0.816 279 D CB 0.080 40.813 40.800 -0.112 0.000 1.066 279 D HN -0.150 nan 8.370 nan 0.000 0.501 280 M N 0.567 119.957 119.600 -0.351 0.000 2.297 280 M HA -0.168 4.315 4.480 0.006 0.000 0.200 280 M C -0.505 175.500 176.300 -0.492 0.000 0.414 280 M CA 0.630 55.665 55.300 -0.442 0.000 0.449 280 M CB -2.917 29.638 32.600 -0.076 0.000 1.436 280 M HN 0.458 nan 8.290 nan 0.000 0.912 281 S N -1.865 113.410 115.700 -0.708 0.000 2.661 281 S HA 0.801 5.274 4.470 0.006 0.000 0.285 281 S C -0.797 173.561 174.600 -0.403 0.000 1.138 281 S CA -0.910 57.090 58.200 -0.334 0.000 0.855 281 S CB 2.283 65.436 63.200 -0.079 0.000 1.136 281 S HN 0.466 nan 8.310 nan 0.000 0.484 282 W N 1.934 123.320 121.300 0.143 0.000 2.311 282 W HA 0.312 4.976 4.660 0.007 0.000 0.317 282 W C -0.516 176.059 176.519 0.093 0.000 1.065 282 W CA -0.300 57.182 57.345 0.228 0.000 1.364 282 W CB 1.129 30.855 29.460 0.444 0.000 1.233 282 W HN 0.736 nan 8.180 nan 0.000 0.409 283 D N 2.944 123.432 120.400 0.146 0.000 2.412 283 D HA 0.201 4.845 4.640 0.006 0.000 0.224 283 D C -0.080 176.174 176.300 -0.076 0.000 1.093 283 D CA -0.304 53.697 54.000 0.002 0.000 0.850 283 D CB 0.670 41.449 40.800 -0.035 0.000 1.046 283 D HN 0.156 nan 8.370 nan 0.000 0.507 284 C N 3.003 122.174 119.300 -0.215 0.000 2.470 284 C HA 0.599 5.063 4.460 0.006 0.000 0.311 284 C C 1.528 176.382 174.990 -0.228 0.000 1.387 284 C CA 0.053 58.691 59.018 -0.633 0.000 1.783 284 C CB -0.823 26.367 27.740 -0.918 0.000 2.416 284 C HN 0.883 nan 8.230 nan 0.000 0.558 285 G N 1.196 109.965 108.800 -0.052 0.000 2.184 285 G HA2 -0.125 3.838 3.960 0.006 0.000 0.206 285 G HA3 -0.125 3.838 3.960 0.006 0.000 0.206 285 G C 0.056 174.951 174.900 -0.008 0.000 0.995 285 G CA 0.410 45.531 45.100 0.036 0.000 0.651 285 G HN 1.066 nan 8.290 nan 0.000 0.511 286 S N -1.759 113.902 115.700 -0.065 0.000 2.595 286 S HA 0.574 5.047 4.470 0.006 0.000 0.270 286 S C 0.290 174.774 174.600 -0.193 0.000 1.145 286 S CA 0.503 58.623 58.200 -0.134 0.000 0.825 286 S CB 1.591 64.674 63.200 -0.194 0.000 1.107 286 S HN 0.664 nan 8.310 nan 0.000 0.461 287 Q N 1.073 120.762 119.800 -0.185 0.000 2.152 287 Q HA -0.139 4.204 4.340 0.006 0.000 0.206 287 Q C 0.954 176.803 176.000 -0.250 0.000 0.985 287 Q CA 2.866 58.562 55.803 -0.180 0.000 0.863 287 Q CB -0.794 27.861 28.738 -0.138 0.000 0.904 287 Q HN 0.821 nan 8.270 nan 0.000 0.422 288 D N -1.055 119.122 120.400 -0.372 0.000 2.123 288 D HA -0.182 4.461 4.640 0.006 0.000 0.196 288 D C 0.254 176.288 176.300 -0.444 0.000 0.992 288 D CA 1.463 55.163 54.000 -0.500 0.000 0.833 288 D CB -0.142 40.143 40.800 -0.857 0.000 0.954 288 D HN 0.492 nan 8.370 nan 0.000 0.455 289 Y N -0.174 119.992 120.300 -0.223 0.000 2.833 289 Y HA 0.320 4.875 4.550 0.008 0.000 0.339 289 Y C 0.226 175.702 175.900 -0.708 0.000 1.032 289 Y CA -0.828 57.054 58.100 -0.363 0.000 1.450 289 Y CB 0.249 38.708 38.460 -0.002 0.000 1.296 289 Y HN -0.263 nan 8.280 nan 0.000 0.535 290 K N 1.313 121.365 120.400 -0.579 0.000 2.394 290 K HA 0.393 4.717 4.320 0.006 0.000 0.260 290 K C -1.746 174.619 176.600 -0.392 0.000 0.967 290 K CA -0.562 55.476 56.287 -0.416 0.000 0.855 290 K CB 0.833 33.222 32.500 -0.184 0.000 1.101 290 K HN 0.169 nan 8.250 nan 0.000 0.433 291 Y N 2.874 123.347 120.300 0.289 0.000 2.335 291 Y HA 0.233 4.786 4.550 0.005 0.000 0.338 291 Y C 0.163 176.316 175.900 0.423 0.000 0.977 291 Y CA -0.973 57.331 58.100 0.340 0.000 1.114 291 Y CB 1.221 39.895 38.460 0.357 0.000 1.182 291 Y HN 0.685 nan 8.280 nan 0.000 0.463 292 D N 0.131 120.788 120.400 0.429 0.000 2.621 292 D HA 0.233 4.877 4.640 0.006 0.000 0.255 292 D C 0.973 177.500 176.300 0.378 0.000 1.122 292 D CA -0.763 53.447 54.000 0.349 0.000 1.096 292 D CB 0.499 41.406 40.800 0.178 0.000 1.282 292 D HN 0.324 nan 8.370 nan 0.000 0.619 293 V N -2.136 117.956 119.914 0.296 0.000 2.490 293 V HA -0.189 3.934 4.120 0.006 0.000 0.250 293 V C 2.018 178.240 176.094 0.214 0.000 1.061 293 V CA 2.525 64.989 62.300 0.273 0.000 1.064 293 V CB -1.987 29.958 31.823 0.202 0.000 0.670 293 V HN 0.809 nan 8.190 nan 0.000 0.461 294 T N -2.491 112.170 114.554 0.177 0.000 2.857 294 T HA -0.184 4.169 4.350 0.006 0.000 0.266 294 T C 1.642 176.435 174.700 0.156 0.000 1.048 294 T CA 1.416 63.601 62.100 0.142 0.000 1.139 294 T CB -0.630 68.304 68.868 0.109 0.000 0.874 294 T HN 0.483 nan 8.240 nan 0.000 0.455 295 D N 1.314 121.833 120.400 0.198 0.000 2.123 295 D HA -0.060 4.583 4.640 0.006 0.000 0.196 295 D C 2.327 178.744 176.300 0.196 0.000 0.992 295 D CA 1.017 55.148 54.000 0.218 0.000 0.833 295 D CB -0.406 40.590 40.800 0.325 0.000 0.954 295 D HN 0.331 nan 8.370 nan 0.000 0.455 296 V N 0.977 121.020 119.914 0.215 0.000 2.427 296 V HA -0.183 3.941 4.120 0.006 0.000 0.248 296 V C 2.499 178.704 176.094 0.184 0.000 1.051 296 V CA 1.419 63.832 62.300 0.188 0.000 1.048 296 V CB -0.455 31.491 31.823 0.205 0.000 0.666 296 V HN 0.117 nan 8.190 nan 0.000 0.456 297 S N -0.224 115.576 115.700 0.166 0.000 2.382 297 S HA -0.200 4.273 4.470 0.006 0.000 0.228 297 S C 1.805 176.458 174.600 0.089 0.000 1.027 297 S CA 1.324 59.602 58.200 0.129 0.000 0.991 297 S CB -0.283 62.985 63.200 0.112 0.000 0.823 297 S HN 0.601 nan 8.310 nan 0.000 0.469 298 K N 1.046 121.502 120.400 0.093 0.000 2.555 298 K HA 0.191 4.515 4.320 0.006 0.000 0.193 298 K C 1.431 178.063 176.600 0.053 0.000 1.032 298 K CA 0.500 56.828 56.287 0.070 0.000 1.004 298 K CB -0.020 32.530 32.500 0.083 0.000 0.804 298 K HN 0.316 nan 8.250 nan 0.000 0.496 299 A N -0.006 122.844 122.820 0.051 0.000 2.348 299 A HA 0.304 4.628 4.320 0.006 0.000 0.224 299 A C 1.357 178.883 177.584 -0.096 0.000 1.227 299 A CA 0.632 52.673 52.037 0.006 0.000 0.885 299 A CB 0.228 19.254 19.000 0.043 0.000 0.933 299 A HN 0.347 nan 8.150 nan 0.000 0.506 300 G N -1.617 107.132 108.800 -0.086 0.000 2.255 300 G HA2 -0.135 3.828 3.960 0.006 0.000 0.196 300 G HA3 -0.135 3.828 3.960 0.006 0.000 0.196 300 G C 0.072 174.875 174.900 -0.161 0.000 0.998 300 G CA -0.016 44.993 45.100 -0.153 0.000 0.656 300 G HN 0.528 nan 8.290 nan 0.000 0.490 301 H N 1.657 120.745 119.070 0.029 0.000 2.551 301 H HA 0.595 5.154 4.556 0.005 0.000 0.358 301 H C 0.961 176.312 175.328 0.038 0.000 1.151 301 H CA 1.099 57.165 56.048 0.030 0.000 1.374 301 H CB 1.374 31.165 29.762 0.049 0.000 1.473 301 H HN 0.483 nan 8.280 nan 0.000 0.574 302 T N -1.239 113.426 114.554 0.185 0.000 2.919 302 T HA 0.190 4.543 4.350 0.006 0.000 0.282 302 T C 1.242 176.002 174.700 0.100 0.000 1.020 302 T CA -0.904 61.263 62.100 0.110 0.000 0.994 302 T CB 1.056 69.967 68.868 0.072 0.000 1.180 302 T HN 0.250 nan 8.240 nan 0.000 0.566 303 L N 0.585 121.854 121.223 0.077 0.000 2.275 303 L HA 0.077 4.420 4.340 0.006 0.000 0.215 303 L C 2.605 179.507 176.870 0.055 0.000 1.119 303 L CA 1.502 56.384 54.840 0.070 0.000 0.790 303 L CB -1.017 41.078 42.059 0.060 0.000 0.919 303 L HN 0.698 nan 8.230 nan 0.000 0.443 304 E N -0.799 119.428 120.200 0.046 0.000 2.130 304 E HA -0.266 4.087 4.350 0.006 0.000 0.196 304 E C 1.996 178.610 176.600 0.023 0.000 0.998 304 E CA 1.633 58.052 56.400 0.031 0.000 0.806 304 E CB -0.115 29.601 29.700 0.025 0.000 0.738 304 E HN 0.412 nan 8.360 nan 0.000 0.459 305 L N -0.198 121.041 121.223 0.025 0.000 2.362 305 L HA 0.122 4.466 4.340 0.006 0.000 0.204 305 L C 2.063 178.942 176.870 0.014 0.000 1.060 305 L CA 0.775 55.611 54.840 -0.008 0.000 0.827 305 L CB -0.053 41.967 42.059 -0.066 0.000 1.027 305 L HN -0.046 nan 8.230 nan 0.000 0.474 306 I N -0.199 120.404 120.570 0.055 0.000 2.252 306 I HA -0.211 3.962 4.170 0.006 0.000 0.245 306 I C 2.490 178.676 176.117 0.115 0.000 1.102 306 I CA 1.305 62.669 61.300 0.107 0.000 1.385 306 I CB -0.372 37.714 38.000 0.143 0.000 1.064 306 I HN 0.421 nan 8.210 nan 0.000 0.414 307 E N 1.924 122.177 120.200 0.087 0.000 2.023 307 E HA -0.214 4.139 4.350 0.006 0.000 0.196 307 E C -0.588 176.056 176.600 0.074 0.000 1.003 307 E CA 1.821 58.268 56.400 0.079 0.000 0.809 307 E CB -1.023 28.713 29.700 0.060 0.000 0.755 307 E HN 0.273 nan 8.360 nan 0.000 0.449 308 P HA -0.128 nan 4.420 nan 0.000 0.222 308 P C 1.791 179.144 177.300 0.088 0.000 1.147 308 P CA 0.748 63.884 63.100 0.060 0.000 0.790 308 P CB -0.169 31.550 31.700 0.032 0.000 0.780 309 L N -0.483 120.792 121.223 0.087 0.000 2.056 309 L HA -0.087 4.256 4.340 0.006 0.000 0.207 309 L C 2.226 179.192 176.870 0.160 0.000 1.078 309 L CA 1.797 56.714 54.840 0.128 0.000 0.749 309 L CB -1.195 40.947 42.059 0.139 0.000 0.901 309 L HN -0.209 nan 8.230 nan 0.000 0.433 310 I N -0.223 120.421 120.570 0.123 0.000 2.252 310 I HA -0.240 3.933 4.170 0.006 0.000 0.245 310 I C 2.491 178.594 176.117 -0.023 0.000 1.102 310 I CA 1.155 62.470 61.300 0.026 0.000 1.385 310 I CB -1.153 36.912 38.000 0.109 0.000 1.064 310 I HN 0.309 nan 8.210 nan 0.000 0.414 311 K N 0.947 121.372 120.400 0.042 0.000 2.074 311 K HA -0.242 4.081 4.320 0.006 0.000 0.209 311 K C 2.138 178.742 176.600 0.007 0.000 1.048 311 K CA 1.600 57.905 56.287 0.030 0.000 0.926 311 K CB -0.627 31.906 32.500 0.054 0.000 0.713 311 K HN 0.175 nan 8.250 nan 0.000 0.444 312 F N 1.120 121.015 119.950 -0.091 0.000 2.102 312 F HA -0.218 4.313 4.527 0.005 0.000 0.298 312 F C 2.051 177.744 175.800 -0.178 0.000 1.105 312 F CA 1.473 59.412 58.000 -0.102 0.000 1.239 312 F CB -0.177 38.780 39.000 -0.071 0.000 0.991 312 F HN 0.074 nan 8.300 nan 0.000 0.474 313 Q N 0.300 119.940 119.800 -0.266 0.000 2.084 313 Q HA -0.145 4.199 4.340 0.006 0.000 0.202 313 Q C 2.569 178.204 176.000 -0.608 0.000 0.978 313 Q CA 1.775 57.167 55.803 -0.685 0.000 0.844 313 Q CB -1.093 26.696 28.738 -1.582 0.000 0.898 313 Q HN 0.413 nan 8.270 nan 0.000 0.426 314 V N 0.535 120.219 119.914 -0.383 0.000 2.295 314 V HA -0.203 3.920 4.120 0.006 0.000 0.246 314 V C 2.349 178.360 176.094 -0.137 0.000 1.049 314 V CA 2.050 64.282 62.300 -0.112 0.000 1.024 314 V CB -1.242 30.574 31.823 -0.011 0.000 0.648 314 V HN 0.459 nan 8.190 nan 0.000 0.447 315 G N -0.488 108.195 108.800 -0.195 0.000 2.408 315 G HA2 -0.222 3.742 3.960 0.006 0.000 0.217 315 G HA3 -0.222 3.742 3.960 0.006 0.000 0.217 315 G C 1.563 176.317 174.900 -0.244 0.000 1.150 315 G CA 1.018 46.006 45.100 -0.186 0.000 0.776 315 G HN 0.425 nan 8.290 nan 0.000 0.542 316 L N 0.479 121.458 121.223 -0.407 0.000 2.056 316 L HA 0.198 4.542 4.340 0.006 0.000 0.207 316 L C 2.595 179.357 176.870 -0.181 0.000 1.078 316 L CA 2.015 56.630 54.840 -0.375 0.000 0.749 316 L CB -0.508 41.190 42.059 -0.602 0.000 0.901 316 L HN 0.133 nan 8.230 nan 0.000 0.433 317 K N -0.022 120.292 120.400 -0.143 0.000 2.097 317 K HA -0.161 4.163 4.320 0.006 0.000 0.206 317 K C 2.015 178.607 176.600 -0.015 0.000 1.049 317 K CA 1.562 57.830 56.287 -0.031 0.000 0.933 317 K CB -0.080 32.455 32.500 0.058 0.000 0.717 317 K HN 0.287 nan 8.250 nan 0.000 0.442 318 K N 0.086 120.467 120.400 -0.032 0.000 2.362 318 K HA -0.020 4.303 4.320 0.006 0.000 0.200 318 K C 1.683 178.281 176.600 -0.003 0.000 1.046 318 K CA 0.775 57.055 56.287 -0.011 0.000 0.952 318 K CB -0.024 32.464 32.500 -0.020 0.000 0.753 318 K HN 0.158 nan 8.250 nan 0.000 0.466 319 L N 0.571 121.780 121.223 -0.023 0.000 2.362 319 L HA -0.098 4.245 4.340 0.006 0.000 0.219 319 L C -0.236 176.672 176.870 0.062 0.000 1.134 319 L CA 0.517 55.355 54.840 -0.003 0.000 0.807 319 L CB -0.825 41.214 42.059 -0.034 0.000 0.927 319 L HN 0.343 nan 8.230 nan 0.000 0.447 320 N N 0.236 118.974 118.700 0.064 0.000 2.714 320 N HA -0.181 4.562 4.740 0.006 0.000 0.253 320 N C -0.454 175.168 175.510 0.186 0.000 1.024 320 N CA 0.015 53.129 53.050 0.106 0.000 0.726 320 N CB -1.311 37.250 38.487 0.122 0.000 0.908 320 N HN 0.240 nan 8.380 nan 0.000 0.542 321 L N 0.870 122.182 121.223 0.148 0.000 2.485 321 L HA 0.049 4.393 4.340 0.006 0.000 0.275 321 L C 1.401 178.432 176.870 0.269 0.000 1.207 321 L CA 0.078 55.044 54.840 0.210 0.000 0.855 321 L CB 0.231 42.372 42.059 0.138 0.000 1.114 321 L HN 0.364 nan 8.230 nan 0.000 0.485 322 H N 1.731 120.883 119.070 0.136 0.000 2.852 322 H HA -0.080 4.479 4.556 0.005 0.000 0.362 322 H C 0.718 176.066 175.328 0.035 0.000 1.122 322 H CA -0.212 55.880 56.048 0.073 0.000 1.419 322 H CB 1.174 31.021 29.762 0.143 0.000 1.401 322 H HN 0.666 nan 8.280 nan 0.000 0.609 323 E N 1.906 122.181 120.200 0.125 0.000 2.153 323 E HA -0.216 4.138 4.350 0.006 0.000 0.194 323 E C 1.237 177.856 176.600 0.032 0.000 0.988 323 E CA 1.206 57.650 56.400 0.074 0.000 0.811 323 E CB 0.202 29.956 29.700 0.090 0.000 0.746 323 E HN 0.604 nan 8.360 nan 0.000 0.466 324 E N 0.681 120.861 120.200 -0.032 0.000 2.085 324 E HA -0.214 4.140 4.350 0.006 0.000 0.194 324 E C 1.856 178.304 176.600 -0.255 0.000 0.994 324 E CA 1.708 57.963 56.400 -0.242 0.000 0.801 324 E CB -0.029 29.292 29.700 -0.632 0.000 0.743 324 E HN 0.371 nan 8.360 nan 0.000 0.453 325 E N -1.008 119.101 120.200 -0.153 0.000 2.112 325 E HA -0.155 4.199 4.350 0.006 0.000 0.190 325 E C 1.896 178.498 176.600 0.002 0.000 0.979 325 E CA 0.872 57.238 56.400 -0.057 0.000 0.814 325 E CB -0.096 29.642 29.700 0.063 0.000 0.762 325 E HN 0.329 nan 8.360 nan 0.000 0.460 326 H N 0.700 119.722 119.070 -0.080 0.000 2.321 326 H HA -0.125 4.434 4.556 0.005 0.000 0.300 326 H C 2.043 177.263 175.328 -0.179 0.000 1.087 326 H CA 2.119 58.092 56.048 -0.125 0.000 1.319 326 H CB -0.124 29.544 29.762 -0.156 0.000 1.379 326 H HN 0.110 nan 8.280 nan 0.000 0.501 327 V N -1.287 118.502 119.914 -0.208 0.000 2.548 327 V HA -0.096 4.028 4.120 0.006 0.000 0.249 327 V C 2.478 178.556 176.094 -0.028 0.000 1.055 327 V CA 1.537 63.718 62.300 -0.198 0.000 1.065 327 V CB -0.910 30.894 31.823 -0.033 0.000 0.681 327 V HN 0.362 nan 8.190 nan 0.000 0.462 328 L N -0.614 120.579 121.223 -0.050 0.000 2.046 328 L HA -0.115 4.229 4.340 0.006 0.000 0.208 328 L C 2.582 179.449 176.870 -0.006 0.000 1.077 328 L CA 1.796 56.628 54.840 -0.014 0.000 0.747 328 L CB -0.516 41.525 42.059 -0.030 0.000 0.896 328 L HN 0.388 nan 8.230 nan 0.000 0.432 329 L N -0.688 120.505 121.223 -0.050 0.000 2.093 329 L HA -0.197 4.147 4.340 0.006 0.000 0.208 329 L C 2.421 179.251 176.870 -0.066 0.000 1.085 329 L CA 1.696 56.509 54.840 -0.045 0.000 0.755 329 L CB -0.324 41.702 42.059 -0.056 0.000 0.904 329 L HN 0.173 nan 8.230 nan 0.000 0.435 330 M N -1.243 118.262 119.600 -0.158 0.000 2.117 330 M HA -0.195 4.288 4.480 0.006 0.000 0.262 330 M C 2.249 178.586 176.300 0.062 0.000 1.065 330 M CA 1.805 57.013 55.300 -0.154 0.000 1.114 330 M CB -0.527 31.793 32.600 -0.468 0.000 1.361 330 M HN 0.439 nan 8.290 nan 0.000 0.408 331 A N 0.427 123.351 122.820 0.173 0.000 1.898 331 A HA -0.102 4.221 4.320 0.006 0.000 0.216 331 A C 2.016 179.647 177.584 0.078 0.000 1.181 331 A CA 1.270 53.406 52.037 0.164 0.000 0.620 331 A CB -0.797 18.255 19.000 0.086 0.000 0.819 331 A HN 0.444 nan 8.150 nan 0.000 0.442 332 I N -0.808 119.797 120.570 0.057 0.000 2.286 332 I HA -0.298 3.875 4.170 0.006 0.000 0.248 332 I C 2.688 178.832 176.117 0.044 0.000 1.115 332 I CA 1.162 62.493 61.300 0.052 0.000 1.392 332 I CB -0.410 37.623 38.000 0.054 0.000 1.065 332 I HN 0.570 nan 8.210 nan 0.000 0.418 333 C N 1.316 120.633 119.300 0.029 0.000 2.413 333 C HA -0.186 4.277 4.460 0.006 0.000 0.276 333 C C 2.740 177.751 174.990 0.036 0.000 1.236 333 C CA 1.018 60.047 59.018 0.018 0.000 1.735 333 C CB -0.857 26.880 27.740 -0.005 0.000 2.031 333 C HN 0.414 nan 8.230 nan 0.000 0.474 334 I N 0.776 121.378 120.570 0.053 0.000 2.179 334 I HA -0.099 4.075 4.170 0.006 0.000 0.242 334 I C 1.109 177.298 176.117 0.120 0.000 1.088 334 I CA 1.250 62.594 61.300 0.075 0.000 1.357 334 I CB -0.253 37.776 38.000 0.048 0.000 1.051 334 I HN 0.114 nan 8.210 nan 0.000 0.409 335 V N 1.795 121.779 119.914 0.118 0.000 2.056 335 V HA 0.128 4.251 4.120 0.006 0.000 0.267 335 V C 0.025 176.167 176.094 0.080 0.000 1.535 335 V CA -0.009 62.370 62.300 0.132 0.000 1.475 335 V CB -0.672 31.234 31.823 0.138 0.000 1.441 335 V HN 0.148 nan 8.190 nan 0.000 0.500 336 S N 4.440 120.180 115.700 0.067 0.000 2.429 336 S HA 0.356 4.829 4.470 0.006 0.000 0.302 336 S C -1.491 173.129 174.600 0.034 0.000 1.115 336 S CA -0.925 57.300 58.200 0.043 0.000 1.095 336 S CB 1.788 65.006 63.200 0.031 0.000 0.987 336 S HN 0.365 nan 8.310 nan 0.000 0.474 337 P HA -0.135 nan 4.420 nan 0.000 0.219 337 P C 0.858 178.165 177.300 0.012 0.000 1.146 337 P CA 1.013 64.123 63.100 0.017 0.000 0.808 337 P CB 0.049 31.758 31.700 0.016 0.000 0.779 338 D N -2.201 118.206 120.400 0.012 0.000 2.339 338 D HA -0.020 4.623 4.640 0.006 0.000 0.217 338 D C 0.385 176.689 176.300 0.007 0.000 1.050 338 D CA -0.000 54.004 54.000 0.008 0.000 0.856 338 D CB -0.216 40.587 40.800 0.005 0.000 0.922 338 D HN -0.037 nan 8.370 nan 0.000 0.518 339 R N 2.264 122.770 120.500 0.011 0.000 2.640 339 R HA 0.156 4.499 4.340 0.006 0.000 0.270 339 R C -2.067 174.238 176.300 0.009 0.000 1.024 339 R CA -1.319 54.788 56.100 0.012 0.000 1.085 339 R CB -0.702 29.611 30.300 0.021 0.000 0.963 339 R HN 0.209 nan 8.270 nan 0.000 0.426 340 P HA 0.008 nan 4.420 nan 0.000 0.267 340 P C 0.571 177.875 177.300 0.008 0.000 1.209 340 P CA 0.517 63.621 63.100 0.006 0.000 0.763 340 P CB 0.568 32.272 31.700 0.006 0.000 0.816 341 G N 1.751 110.553 108.800 0.004 0.000 2.194 341 G HA2 -0.215 3.748 3.960 0.006 0.000 0.236 341 G HA3 -0.215 3.748 3.960 0.006 0.000 0.236 341 G C 0.034 174.933 174.900 -0.001 0.000 0.987 341 G CA -0.138 44.963 45.100 0.003 0.000 0.635 341 G HN 0.536 nan 8.290 nan 0.000 0.520 342 V N 1.576 121.490 119.914 -0.001 0.000 2.599 342 V HA 0.127 4.250 4.120 0.006 0.000 0.300 342 V C 1.560 177.648 176.094 -0.011 0.000 1.034 342 V CA 1.465 63.761 62.300 -0.007 0.000 1.115 342 V CB 1.299 33.120 31.823 -0.003 0.000 0.934 342 V HN 0.576 nan 8.190 nan 0.000 0.485 343 Q N 2.291 122.080 119.800 -0.018 0.000 2.042 343 Q HA 0.028 4.371 4.340 0.006 0.000 0.194 343 Q C 0.723 176.711 176.000 -0.019 0.000 0.978 343 Q CA 0.553 56.345 55.803 -0.019 0.000 0.828 343 Q CB 0.120 28.844 28.738 -0.024 0.000 0.901 343 Q HN 0.753 nan 8.270 nan 0.000 0.461 344 D N 0.268 120.652 120.400 -0.026 0.000 2.631 344 D HA 0.223 4.866 4.640 0.006 0.000 0.227 344 D C 0.343 176.631 176.300 -0.020 0.000 1.146 344 D CA -0.100 53.885 54.000 -0.025 0.000 1.009 344 D CB 0.635 41.414 40.800 -0.033 0.000 1.057 344 D HN 0.269 nan 8.370 nan 0.000 0.509 345 A N 3.530 126.342 122.820 -0.012 0.000 1.940 345 A HA -0.190 4.133 4.320 0.006 0.000 0.219 345 A C 2.159 179.741 177.584 -0.003 0.000 1.176 345 A CA 1.045 53.078 52.037 -0.006 0.000 0.631 345 A CB -0.110 18.889 19.000 -0.002 0.000 0.814 345 A HN 0.314 nan 8.150 nan 0.000 0.446 346 K N -0.443 119.954 120.400 -0.005 0.000 2.057 346 K HA -0.076 4.248 4.320 0.006 0.000 0.207 346 K C 1.994 178.592 176.600 -0.004 0.000 1.049 346 K CA 1.208 57.493 56.287 -0.003 0.000 0.931 346 K CB -0.686 31.811 32.500 -0.004 0.000 0.714 346 K HN 0.586 nan 8.250 nan 0.000 0.440 347 L N 1.146 122.362 121.223 -0.011 0.000 2.056 347 L HA -0.162 4.181 4.340 0.006 0.000 0.207 347 L C 2.220 179.085 176.870 -0.009 0.000 1.078 347 L CA 0.976 55.808 54.840 -0.014 0.000 0.749 347 L CB -0.160 41.882 42.059 -0.028 0.000 0.901 347 L HN -0.117 nan 8.230 nan 0.000 0.433 348 V N 0.127 120.035 119.914 -0.010 0.000 2.343 348 V HA -0.319 3.805 4.120 0.006 0.000 0.247 348 V C 2.459 178.564 176.094 0.018 0.000 1.051 348 V CA 2.179 64.481 62.300 0.003 0.000 1.036 348 V CB -0.633 31.191 31.823 0.003 0.000 0.654 348 V HN 0.563 nan 8.190 nan 0.000 0.451 349 E N 0.338 120.547 120.200 0.014 0.000 2.077 349 E HA -0.234 4.119 4.350 0.006 0.000 0.193 349 E C 2.252 178.864 176.600 0.021 0.000 0.989 349 E CA 1.376 57.788 56.400 0.020 0.000 0.800 349 E CB -0.222 29.487 29.700 0.015 0.000 0.746 349 E HN 0.561 nan 8.360 nan 0.000 0.452 350 A N 1.067 123.896 122.820 0.015 0.000 1.908 350 A HA -0.171 4.152 4.320 0.006 0.000 0.218 350 A C 2.153 179.749 177.584 0.020 0.000 1.181 350 A CA 1.401 53.447 52.037 0.015 0.000 0.627 350 A CB -0.593 18.412 19.000 0.008 0.000 0.818 350 A HN 0.340 nan 8.150 nan 0.000 0.445 351 I N -0.988 119.596 120.570 0.023 0.000 2.202 351 I HA -0.269 3.905 4.170 0.006 0.000 0.242 351 I C 2.815 178.955 176.117 0.039 0.000 1.091 351 I CA 1.668 62.987 61.300 0.032 0.000 1.368 351 I CB -0.375 37.650 38.000 0.041 0.000 1.058 351 I HN 0.493 nan 8.210 nan 0.000 0.410 352 Q N 0.778 120.604 119.800 0.044 0.000 2.084 352 Q HA -0.240 4.103 4.340 0.006 0.000 0.202 352 Q C 1.681 177.711 176.000 0.049 0.000 0.978 352 Q CA 1.703 57.536 55.803 0.050 0.000 0.844 352 Q CB 0.075 28.844 28.738 0.052 0.000 0.898 352 Q HN 0.427 nan 8.270 nan 0.000 0.426 353 D N -0.026 120.398 120.400 0.041 0.000 2.144 353 D HA -0.176 4.467 4.640 0.006 0.000 0.199 353 D C 1.848 178.166 176.300 0.030 0.000 0.984 353 D CA 1.020 55.043 54.000 0.038 0.000 0.834 353 D CB -0.169 40.648 40.800 0.028 0.000 0.955 353 D HN 0.222 nan 8.370 nan 0.000 0.465 354 R N 0.270 120.786 120.500 0.027 0.000 2.096 354 R HA -0.059 4.284 4.340 0.006 0.000 0.235 354 R C 2.333 178.648 176.300 0.026 0.000 1.127 354 R CA 0.821 56.935 56.100 0.024 0.000 0.968 354 R CB -0.199 30.115 30.300 0.024 0.000 0.861 354 R HN 0.171 nan 8.270 nan 0.000 0.440 355 L N -0.258 120.984 121.223 0.032 0.000 2.056 355 L HA -0.101 4.243 4.340 0.006 0.000 0.207 355 L C 2.459 179.359 176.870 0.049 0.000 1.078 355 L CA 1.237 56.098 54.840 0.035 0.000 0.749 355 L CB -0.358 41.724 42.059 0.038 0.000 0.901 355 L HN 0.191 nan 8.230 nan 0.000 0.433 356 S N 0.037 115.776 115.700 0.066 0.000 2.368 356 S HA -0.139 4.335 4.470 0.006 0.000 0.225 356 S C 1.759 176.352 174.600 -0.011 0.000 1.030 356 S CA 1.246 59.506 58.200 0.100 0.000 0.999 356 S CB -0.320 62.966 63.200 0.144 0.000 0.844 356 S HN 0.431 nan 8.310 nan 0.000 0.459 357 N N 1.029 119.716 118.700 -0.022 0.000 2.244 357 N HA -0.036 4.707 4.740 0.006 0.000 0.183 357 N C 1.733 177.221 175.510 -0.037 0.000 1.016 357 N CA 1.211 54.225 53.050 -0.060 0.000 0.866 357 N CB -0.705 37.764 38.487 -0.029 0.000 0.980 357 N HN 0.349 nan 8.380 nan 0.000 0.430 358 T N 1.816 116.373 114.554 0.004 0.000 2.708 358 T HA -0.111 4.243 4.350 0.006 0.000 0.266 358 T C 1.973 176.710 174.700 0.062 0.000 1.037 358 T CA 0.641 62.763 62.100 0.036 0.000 1.146 358 T CB -0.306 68.583 68.868 0.036 0.000 0.865 358 T HN 0.091 nan 8.240 nan 0.000 0.435 359 L N 1.196 122.445 121.223 0.044 0.000 2.017 359 L HA -0.075 4.268 4.340 0.006 0.000 0.208 359 L C 2.437 179.334 176.870 0.045 0.000 1.073 359 L CA 1.763 56.653 54.840 0.084 0.000 0.745 359 L CB -0.809 41.332 42.059 0.137 0.000 0.894 359 L HN 0.249 nan 8.230 nan 0.000 0.432 360 Q N -1.233 118.465 119.800 -0.169 0.000 2.084 360 Q HA -0.183 4.161 4.340 0.006 0.000 0.202 360 Q C 1.981 177.909 176.000 -0.119 0.000 0.978 360 Q CA 2.242 57.845 55.803 -0.333 0.000 0.844 360 Q CB -0.353 28.033 28.738 -0.587 0.000 0.898 360 Q HN 0.548 nan 8.270 nan 0.000 0.426 361 T N 0.178 114.699 114.554 -0.055 0.000 2.821 361 T HA -0.178 4.175 4.350 0.006 0.000 0.267 361 T C 1.445 176.166 174.700 0.035 0.000 1.046 361 T CA 1.124 63.217 62.100 -0.011 0.000 1.139 361 T CB -0.414 68.457 68.868 0.006 0.000 0.871 361 T HN 0.358 nan 8.240 nan 0.000 0.454 362 Y N 1.660 121.952 120.300 -0.013 0.000 2.128 362 Y HA -0.132 4.422 4.550 0.007 0.000 0.284 362 Y C 1.998 177.915 175.900 0.028 0.000 1.154 362 Y CA 1.112 59.224 58.100 0.021 0.000 1.149 362 Y CB -0.428 38.054 38.460 0.038 0.000 0.976 362 Y HN 0.157 nan 8.280 nan 0.000 0.505 363 I N -0.173 120.474 120.570 0.128 0.000 2.226 363 I HA -0.320 3.853 4.170 0.006 0.000 0.245 363 I C 2.391 178.488 176.117 -0.034 0.000 1.100 363 I CA 1.091 62.426 61.300 0.059 0.000 1.374 363 I CB -0.385 37.657 38.000 0.069 0.000 1.057 363 I HN 0.172 nan 8.210 nan 0.000 0.413 364 R N 0.225 120.701 120.500 -0.041 0.000 2.081 364 R HA -0.121 4.223 4.340 0.006 0.000 0.235 364 R C 2.247 178.510 176.300 -0.061 0.000 1.131 364 R CA 1.495 57.570 56.100 -0.042 0.000 0.960 364 R CB -1.118 29.158 30.300 -0.040 0.000 0.856 364 R HN 0.420 nan 8.270 nan 0.000 0.436 365 C N -0.369 118.868 119.300 -0.106 0.000 2.512 365 C HA 0.200 4.663 4.460 0.006 0.000 0.276 365 C C 2.076 176.966 174.990 -0.168 0.000 1.368 365 C CA -0.003 58.947 59.018 -0.114 0.000 1.755 365 C CB -0.142 27.538 27.740 -0.100 0.000 2.008 365 C HN 0.361 nan 8.230 nan 0.000 0.511 366 R N -1.024 119.290 120.500 -0.310 0.000 2.517 366 R HA 0.178 4.522 4.340 0.006 0.000 0.265 366 R C -0.126 176.046 176.300 -0.214 0.000 0.921 366 R CA 0.032 55.900 56.100 -0.385 0.000 1.054 366 R CB -0.344 29.398 30.300 -0.930 0.000 1.340 366 R HN 0.586 nan 8.270 nan 0.000 0.551 367 H N 3.225 122.151 119.070 -0.239 0.000 2.581 367 H HA 0.279 4.838 4.556 0.005 0.000 0.308 367 H C -2.155 173.151 175.328 -0.037 0.000 1.040 367 H CA -1.837 54.128 56.048 -0.138 0.000 1.231 367 H CB 1.505 31.132 29.762 -0.224 0.000 1.396 367 H HN -0.128 nan 8.280 nan 0.000 0.467 368 P HA 0.123 nan 4.420 nan 0.000 0.275 368 P C -2.806 174.609 177.300 0.191 0.000 1.228 368 P CA -1.612 61.572 63.100 0.140 0.000 0.786 368 P CB 0.995 32.745 31.700 0.083 0.000 0.927 369 P HA 0.177 nan 4.420 nan 0.000 0.274 369 P C -1.613 175.735 177.300 0.080 0.000 1.237 369 P CA -1.257 61.896 63.100 0.088 0.000 0.793 369 P CB -0.424 31.303 31.700 0.046 0.000 0.977 370 P HA 0.044 nan 4.420 nan 0.000 0.249 370 P C 1.543 178.900 177.300 0.095 0.000 1.229 370 P CA 0.506 63.640 63.100 0.057 0.000 0.788 370 P CB -0.411 31.300 31.700 0.019 0.000 1.072 371 G N 1.672 110.549 108.800 0.129 0.000 2.462 371 G HA2 -0.241 3.722 3.960 0.006 0.000 0.220 371 G HA3 -0.241 3.722 3.960 0.006 0.000 0.220 371 G C 1.584 176.415 174.900 -0.116 0.000 1.121 371 G CA 1.104 46.280 45.100 0.126 0.000 0.758 371 G HN 0.484 nan 8.290 nan 0.000 0.559 372 S N -0.478 115.165 115.700 -0.094 0.000 2.562 372 S HA 0.041 4.515 4.470 0.006 0.000 0.221 372 S C 0.972 175.528 174.600 -0.073 0.000 0.975 372 S CA -0.212 57.839 58.200 -0.247 0.000 0.918 372 S CB -0.222 62.941 63.200 -0.061 0.000 0.772 372 S HN 0.469 nan 8.310 nan 0.000 0.531 373 H N 3.263 122.282 119.070 -0.085 0.000 3.091 373 H HA 0.159 4.718 4.556 0.006 0.000 0.289 373 H C 0.683 175.981 175.328 -0.049 0.000 0.995 373 H CA 0.853 56.873 56.048 -0.047 0.000 1.461 373 H CB -0.101 29.646 29.762 -0.026 0.000 1.510 373 H HN 0.152 nan 8.280 nan 0.000 0.546 374 Q N 2.665 122.238 119.800 -0.379 0.000 2.468 374 Q HA -0.249 4.095 4.340 0.006 0.000 0.256 374 Q C 1.267 177.160 176.000 -0.179 0.000 0.984 374 Q CA 0.983 56.580 55.803 -0.344 0.000 1.110 374 Q CB -1.781 26.632 28.738 -0.541 0.000 1.527 374 Q HN 0.676 nan 8.270 nan 0.000 0.535 375 L N -0.611 120.534 121.223 -0.129 0.000 2.027 375 L HA -0.122 4.222 4.340 0.006 0.000 0.206 375 L C 2.101 178.947 176.870 -0.039 0.000 1.074 375 L CA 2.417 57.186 54.840 -0.118 0.000 0.745 375 L CB -0.669 41.263 42.059 -0.212 0.000 0.898 375 L HN 0.361 nan 8.230 nan 0.000 0.433 376 Y N 0.361 120.603 120.300 -0.097 0.000 2.181 376 Y HA -0.201 4.352 4.550 0.005 0.000 0.288 376 Y C 2.379 178.247 175.900 -0.054 0.000 1.146 376 Y CA 1.747 59.813 58.100 -0.057 0.000 1.164 376 Y CB -0.713 37.725 38.460 -0.037 0.000 0.982 376 Y HN 0.253 nan 8.280 nan 0.000 0.515 377 A N 0.312 123.057 122.820 -0.125 0.000 1.902 377 A HA -0.206 4.118 4.320 0.006 0.000 0.217 377 A C 2.235 179.701 177.584 -0.197 0.000 1.181 377 A CA 1.996 53.917 52.037 -0.194 0.000 0.623 377 A CB -0.570 18.374 19.000 -0.093 0.000 0.818 377 A HN 0.528 nan 8.150 nan 0.000 0.443 378 K N -1.005 119.302 120.400 -0.155 0.000 2.097 378 K HA -0.022 4.302 4.320 0.006 0.000 0.205 378 K C 2.067 178.586 176.600 -0.135 0.000 1.050 378 K CA 1.507 57.716 56.287 -0.130 0.000 0.938 378 K CB -0.245 32.186 32.500 -0.114 0.000 0.718 378 K HN 0.519 nan 8.250 nan 0.000 0.442 379 M N 0.401 119.905 119.600 -0.160 0.000 2.099 379 M HA -0.129 4.355 4.480 0.006 0.000 0.262 379 M C 1.941 178.138 176.300 -0.172 0.000 1.067 379 M CA 1.183 56.399 55.300 -0.140 0.000 1.124 379 M CB -0.178 32.358 32.600 -0.107 0.000 1.353 379 M HN 0.060 nan 8.290 nan 0.000 0.410 380 I N 0.374 120.755 120.570 -0.316 0.000 2.361 380 I HA -0.242 3.931 4.170 0.006 0.000 0.251 380 I C 2.431 178.461 176.117 -0.145 0.000 1.133 380 I CA 1.476 62.608 61.300 -0.280 0.000 1.413 380 I CB -1.373 36.363 38.000 -0.441 0.000 1.073 380 I HN 0.365 nan 8.210 nan 0.000 0.424 381 Q N 1.545 121.268 119.800 -0.127 0.000 2.170 381 Q HA -0.180 4.163 4.340 0.006 0.000 0.203 381 Q C 2.001 177.999 176.000 -0.004 0.000 0.976 381 Q CA 1.581 57.347 55.803 -0.062 0.000 0.858 381 Q CB -0.068 28.633 28.738 -0.061 0.000 0.907 381 Q HN 0.195 nan 8.270 nan 0.000 0.433 382 K N 0.005 120.412 120.400 0.012 0.000 2.211 382 K HA -0.035 4.289 4.320 0.006 0.000 0.203 382 K C 1.986 178.686 176.600 0.168 0.000 1.050 382 K CA 0.797 57.175 56.287 0.152 0.000 0.945 382 K CB -0.266 32.299 32.500 0.108 0.000 0.732 382 K HN 0.345 nan 8.250 nan 0.000 0.451 383 L N 0.295 121.547 121.223 0.049 0.000 2.083 383 L HA -0.150 4.194 4.340 0.006 0.000 0.209 383 L C 2.491 179.357 176.870 -0.006 0.000 1.083 383 L CA 1.159 56.006 54.840 0.012 0.000 0.752 383 L CB -0.583 41.465 42.059 -0.018 0.000 0.899 383 L HN 0.076 nan 8.230 nan 0.000 0.433 384 A N -0.097 122.720 122.820 -0.005 0.000 1.898 384 A HA -0.202 4.122 4.320 0.006 0.000 0.216 384 A C 1.892 179.470 177.584 -0.010 0.000 1.181 384 A CA 1.757 53.786 52.037 -0.012 0.000 0.620 384 A CB -0.440 18.552 19.000 -0.013 0.000 0.819 384 A HN 0.333 nan 8.150 nan 0.000 0.442 385 D N 0.190 120.607 120.400 0.027 0.000 2.144 385 D HA -0.124 4.519 4.640 0.006 0.000 0.199 385 D C 1.845 178.081 176.300 -0.108 0.000 0.984 385 D CA 0.969 54.986 54.000 0.027 0.000 0.834 385 D CB -0.357 40.566 40.800 0.205 0.000 0.955 385 D HN 0.451 nan 8.370 nan 0.000 0.465 386 L N 0.457 121.586 121.223 -0.157 0.000 2.141 386 L HA -0.106 4.238 4.340 0.006 0.000 0.209 386 L C 2.457 179.221 176.870 -0.177 0.000 1.094 386 L CA 0.693 55.362 54.840 -0.286 0.000 0.763 386 L CB -0.093 41.825 42.059 -0.234 0.000 0.908 386 L HN -0.081 nan 8.230 nan 0.000 0.437 387 R N -0.718 119.720 120.500 -0.103 0.000 2.081 387 R HA -0.126 4.217 4.340 0.006 0.000 0.235 387 R C 2.501 178.757 176.300 -0.073 0.000 1.131 387 R CA 1.524 57.579 56.100 -0.074 0.000 0.960 387 R CB -1.114 29.159 30.300 -0.046 0.000 0.856 387 R HN 0.251 nan 8.270 nan 0.000 0.436 388 S N 0.659 116.316 115.700 -0.072 0.000 2.368 388 S HA 0.005 4.478 4.470 0.006 0.000 0.224 388 S C 2.063 176.618 174.600 -0.075 0.000 1.029 388 S CA 0.625 58.790 58.200 -0.058 0.000 0.988 388 S CB -0.064 63.111 63.200 -0.042 0.000 0.838 388 S HN 0.199 nan 8.310 nan 0.000 0.462 389 L N 1.785 122.935 121.223 -0.122 0.000 2.083 389 L HA -0.091 4.252 4.340 0.006 0.000 0.209 389 L C 2.694 179.494 176.870 -0.118 0.000 1.083 389 L CA 1.279 56.032 54.840 -0.145 0.000 0.752 389 L CB -0.701 41.202 42.059 -0.260 0.000 0.899 389 L HN 0.372 nan 8.230 nan 0.000 0.433 390 N N 0.507 119.131 118.700 -0.127 0.000 2.084 390 N HA -0.251 4.492 4.740 0.006 0.000 0.190 390 N C 1.781 177.267 175.510 -0.040 0.000 1.030 390 N CA 1.664 54.657 53.050 -0.095 0.000 0.849 390 N CB 0.022 38.451 38.487 -0.097 0.000 1.012 390 N HN 0.348 nan 8.380 nan 0.000 0.423 391 E N -0.011 120.163 120.200 -0.044 0.000 2.058 391 E HA -0.240 4.114 4.350 0.006 0.000 0.194 391 E C 1.587 178.171 176.600 -0.026 0.000 0.997 391 E CA 1.420 57.802 56.400 -0.031 0.000 0.801 391 E CB -0.098 29.584 29.700 -0.031 0.000 0.746 391 E HN 0.308 nan 8.360 nan 0.000 0.450 392 E N -0.035 120.149 120.200 -0.027 0.000 2.106 392 E HA -0.212 4.141 4.350 0.006 0.000 0.192 392 E C 1.912 178.500 176.600 -0.020 0.000 0.984 392 E CA 1.397 57.784 56.400 -0.023 0.000 0.806 392 E CB -0.368 29.317 29.700 -0.024 0.000 0.750 392 E HN 0.407 nan 8.360 nan 0.000 0.458 393 H N -0.401 118.596 119.070 -0.121 0.000 2.352 393 H HA -0.057 4.502 4.556 0.005 0.000 0.299 393 H C 1.820 177.105 175.328 -0.072 0.000 1.097 393 H CA 1.823 57.784 56.048 -0.146 0.000 1.311 393 H CB 0.103 29.710 29.762 -0.260 0.000 1.377 393 H HN 0.176 nan 8.280 nan 0.000 0.504 394 S N 0.336 115.965 115.700 -0.117 0.000 2.382 394 S HA -0.130 4.343 4.470 0.006 0.000 0.228 394 S C 2.111 176.675 174.600 -0.060 0.000 1.027 394 S CA 1.429 59.564 58.200 -0.108 0.000 0.991 394 S CB -0.076 63.101 63.200 -0.038 0.000 0.823 394 S HN 0.442 nan 8.310 nan 0.000 0.469 395 K N 1.198 121.565 120.400 -0.054 0.000 2.057 395 K HA -0.082 4.241 4.320 0.006 0.000 0.207 395 K C 2.203 178.772 176.600 -0.052 0.000 1.049 395 K CA 1.281 57.541 56.287 -0.044 0.000 0.931 395 K CB -0.094 32.385 32.500 -0.036 0.000 0.714 395 K HN 0.346 nan 8.250 nan 0.000 0.440 396 Q N -1.037 118.734 119.800 -0.048 0.000 2.187 396 Q HA -0.168 4.176 4.340 0.006 0.000 0.199 396 Q C 1.878 177.829 176.000 -0.083 0.000 0.957 396 Q CA 1.243 57.032 55.803 -0.023 0.000 0.857 396 Q CB -0.140 28.669 28.738 0.118 0.000 0.929 396 Q HN 0.428 nan 8.270 nan 0.000 0.453 397 Y N 1.735 121.879 120.300 -0.260 0.000 2.181 397 Y HA -0.189 4.365 4.550 0.006 0.000 0.288 397 Y C 2.121 177.950 175.900 -0.118 0.000 1.146 397 Y CA 1.475 59.418 58.100 -0.262 0.000 1.164 397 Y CB 0.060 38.250 38.460 -0.450 0.000 0.982 397 Y HN -0.097 nan 8.280 nan 0.000 0.515 398 R N -0.708 119.725 120.500 -0.110 0.000 2.081 398 R HA -0.178 4.166 4.340 0.006 0.000 0.235 398 R C 2.710 178.923 176.300 -0.145 0.000 1.131 398 R CA 1.501 57.533 56.100 -0.112 0.000 0.960 398 R CB -0.682 29.601 30.300 -0.029 0.000 0.856 398 R HN 0.329 nan 8.270 nan 0.000 0.436 399 S N 0.723 116.342 115.700 -0.135 0.000 2.368 399 S HA -0.061 4.412 4.470 0.006 0.000 0.225 399 S C 1.955 176.508 174.600 -0.077 0.000 1.030 399 S CA 0.930 59.071 58.200 -0.098 0.000 0.999 399 S CB -0.061 63.085 63.200 -0.090 0.000 0.844 399 S HN 0.213 nan 8.310 nan 0.000 0.459 400 L N 1.500 122.614 121.223 -0.182 0.000 2.109 400 L HA -0.010 4.333 4.340 0.006 0.000 0.207 400 L C 2.705 179.437 176.870 -0.230 0.000 1.086 400 L CA 1.404 56.123 54.840 -0.202 0.000 0.760 400 L CB -0.505 41.393 42.059 -0.269 0.000 0.910 400 L HN 0.492 nan 8.230 nan 0.000 0.437 401 S N -1.259 114.200 115.700 -0.401 0.000 2.562 401 S HA -0.107 4.367 4.470 0.006 0.000 0.221 401 S C 1.758 176.278 174.600 -0.133 0.000 0.975 401 S CA 0.019 57.993 58.200 -0.377 0.000 0.918 401 S CB -0.600 62.133 63.200 -0.778 0.000 0.772 401 S HN 0.395 nan 8.310 nan 0.000 0.531 402 F N 1.960 121.785 119.950 -0.208 0.000 2.259 402 F HA 0.177 4.708 4.527 0.005 0.000 0.298 402 F C 1.368 177.112 175.800 -0.095 0.000 1.088 402 F CA 0.400 58.325 58.000 -0.125 0.000 1.358 402 F CB 0.033 38.970 39.000 -0.105 0.000 1.040 402 F HN 0.254 nan 8.300 nan 0.000 0.505 403 Q N 1.792 121.522 119.800 -0.118 0.000 2.344 403 Q HA 0.102 4.446 4.340 0.006 0.000 0.253 403 Q C -1.881 174.018 176.000 -0.168 0.000 1.050 403 Q CA -1.921 53.778 55.803 -0.174 0.000 0.912 403 Q CB 1.257 29.950 28.738 -0.075 0.000 1.258 403 Q HN 0.065 nan 8.270 nan 0.000 0.443 404 P HA -0.266 nan 4.420 nan 0.000 0.217 404 P C 0.397 177.641 177.300 -0.094 0.000 1.148 404 P CA 1.645 64.660 63.100 -0.143 0.000 0.834 404 P CB 0.121 31.732 31.700 -0.148 0.000 0.783 405 E N -1.433 118.715 120.200 -0.086 0.000 2.347 405 E HA -0.126 4.227 4.350 0.006 0.000 0.196 405 E C 1.407 177.976 176.600 -0.052 0.000 1.008 405 E CA 0.696 57.060 56.400 -0.059 0.000 0.852 405 E CB -0.646 29.024 29.700 -0.051 0.000 0.783 405 E HN 0.179 nan 8.360 nan 0.000 0.505 406 N N 0.958 119.620 118.700 -0.064 0.000 2.251 406 N HA -0.011 4.732 4.740 0.006 0.000 0.181 406 N C 1.764 177.242 175.510 -0.054 0.000 1.019 406 N CA 1.183 54.198 53.050 -0.059 0.000 0.862 406 N CB -0.204 38.236 38.487 -0.079 0.000 0.992 406 N HN 0.074 nan 8.380 nan 0.000 0.429 407 S N 1.001 116.661 115.700 -0.065 0.000 2.399 407 S HA -0.004 4.469 4.470 0.006 0.000 0.231 407 S C 1.856 176.439 174.600 -0.028 0.000 1.022 407 S CA 0.784 58.956 58.200 -0.046 0.000 0.983 407 S CB -0.147 63.018 63.200 -0.059 0.000 0.803 407 S HN 0.328 nan 8.310 nan 0.000 0.480 408 M N 0.557 120.136 119.600 -0.035 0.000 2.460 408 M HA -0.041 4.442 4.480 0.006 0.000 0.263 408 M C 1.506 177.795 176.300 -0.018 0.000 1.071 408 M CA 1.169 56.454 55.300 -0.026 0.000 1.096 408 M CB -0.215 32.368 32.600 -0.028 0.000 1.408 408 M HN 0.160 nan 8.290 nan 0.000 0.463 409 K N -0.485 119.904 120.400 -0.018 0.000 2.367 409 K HA 0.165 4.488 4.320 0.006 0.000 0.194 409 K C -0.012 176.581 176.600 -0.012 0.000 1.027 409 K CA -0.152 56.128 56.287 -0.013 0.000 1.075 409 K CB 0.492 32.985 32.500 -0.011 0.000 0.845 409 K HN 0.103 nan 8.250 nan 0.000 0.529 410 L N 1.371 122.591 121.223 -0.005 0.000 2.475 410 L HA 0.078 4.421 4.340 0.006 0.000 0.253 410 L C 0.937 177.799 176.870 -0.015 0.000 1.198 410 L CA 0.248 55.092 54.840 0.006 0.000 0.814 410 L CB 0.665 42.754 42.059 0.050 0.000 1.134 410 L HN 0.116 nan 8.230 nan 0.000 0.478 411 T N -2.064 112.470 114.554 -0.033 0.000 2.918 411 T HA 0.383 4.737 4.350 0.006 0.000 0.283 411 T C -2.019 172.656 174.700 -0.042 0.000 1.001 411 T CA -1.635 60.434 62.100 -0.052 0.000 1.041 411 T CB 1.251 70.064 68.868 -0.091 0.000 1.028 411 T HN 0.402 nan 8.240 nan 0.000 0.511 412 P HA -0.008 nan 4.420 nan 0.000 0.218 412 P C 1.604 178.871 177.300 -0.056 0.000 1.149 412 P CA 0.188 63.268 63.100 -0.033 0.000 0.817 412 P CB -0.014 31.669 31.700 -0.028 0.000 0.785 413 L N -0.591 120.580 121.223 -0.086 0.000 2.056 413 L HA -0.108 4.235 4.340 0.006 0.000 0.207 413 L C 2.171 178.924 176.870 -0.196 0.000 1.078 413 L CA 1.753 56.517 54.840 -0.127 0.000 0.749 413 L CB -1.133 40.841 42.059 -0.142 0.000 0.901 413 L HN -0.205 nan 8.230 nan 0.000 0.433 414 V N -0.357 119.431 119.914 -0.209 0.000 2.343 414 V HA -0.309 3.814 4.120 0.006 0.000 0.247 414 V C 2.569 178.577 176.094 -0.142 0.000 1.051 414 V CA 2.012 64.129 62.300 -0.303 0.000 1.036 414 V CB -0.531 31.199 31.823 -0.154 0.000 0.654 414 V HN 0.430 nan 8.190 nan 0.000 0.451 415 L N -0.253 120.970 121.223 -0.001 0.000 2.079 415 L HA -0.223 4.121 4.340 0.006 0.000 0.210 415 L C 2.588 179.487 176.870 0.049 0.000 1.081 415 L CA 2.001 56.899 54.840 0.097 0.000 0.752 415 L CB -0.461 41.641 42.059 0.073 0.000 0.896 415 L HN 0.446 nan 8.230 nan 0.000 0.433 416 E N -0.242 119.944 120.200 -0.023 0.000 2.072 416 E HA -0.155 4.198 4.350 0.006 0.000 0.190 416 E C 2.171 178.748 176.600 -0.038 0.000 0.982 416 E CA 1.151 57.537 56.400 -0.023 0.000 0.803 416 E CB 0.253 29.928 29.700 -0.040 0.000 0.755 416 E HN 0.261 nan 8.360 nan 0.000 0.453 417 V N 0.216 120.054 119.914 -0.127 0.000 2.407 417 V HA -0.126 3.997 4.120 0.006 0.000 0.245 417 V C 1.946 178.034 176.094 -0.011 0.000 1.041 417 V CA 1.374 63.590 62.300 -0.140 0.000 1.040 417 V CB -0.427 31.201 31.823 -0.325 0.000 0.671 417 V HN 0.315 nan 8.190 nan 0.000 0.455 418 F N 0.238 120.064 119.950 -0.206 0.000 2.473 418 F HA 0.447 4.980 4.527 0.010 0.000 0.294 418 F C 1.229 176.888 175.800 -0.235 0.000 1.103 418 F CA 0.541 58.290 58.000 -0.417 0.000 1.442 418 F CB 0.534 38.893 39.000 -1.069 0.000 1.097 418 F HN 0.385 nan 8.300 nan 0.000 0.547 419 G N 0.960 109.859 108.800 0.165 0.000 2.521 419 G HA2 -0.026 3.938 3.960 0.006 0.000 0.589 419 G HA3 -0.026 3.938 3.960 0.006 0.000 0.589 419 G C -2.037 173.042 174.900 0.299 0.000 1.501 419 G CA -0.991 44.258 45.100 0.248 0.000 0.887 419 G HN 0.069 nan 8.290 nan 0.000 0.654 420 N N 0.000 118.806 118.700 0.176 0.000 1.763 420 N HA 0.000 4.743 4.740 0.006 0.000 0.220 420 N CA 0.000 53.127 53.050 0.129 0.000 0.885 420 N CB 0.000 38.534 38.487 0.078 0.000 1.341 420 N HN 0.000 nan 8.380 nan 0.000 0.667