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 2o7v_1_A DATA FIRST_RESID 18 DATA SEQUENCE LLKYLPIVLN PDRTITRPIQ IPSTAASPDP TSSSPVLTKD LALNPLHNTF DATA SEQUENCE VRLFLPRHAL YNSAKLPLVV YFHGGGFILF SAASTIFHDF CCEMAVHAGV DATA SEQUENCE VIASVDYRLA PEHRLPAAYD DAMEALQWIK DSRDEWLTNF ADFSNCFIMG DATA SEQUENCE ESAGGNIAYH AGLRAAAVAD ELLPLKIKGL VLDEPGFGGS KRTGSELRLA DATA SEQUENCE NDSRLPTFVL DLIWELSLPM GADRDHEYCN PTXXXXPLYS FDKIRSLGWR DATA SEQUENCE VMVVGCHGDP MIDRQMELAE RLEKKGVDVV AQFDVGGYHA VKLEDPEKAK DATA SEQUENCE QFFVILKKFV V 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 177.004 176.870 0.224 0.000 1.165 18 L CA 0.000 55.093 54.840 0.422 0.000 0.813 18 L CB 0.000 42.278 42.059 0.364 0.000 0.961 19 L N 1.047 122.331 121.223 0.103 0.000 2.450 19 L HA -0.113 4.228 4.340 0.001 0.000 0.224 19 L C 2.178 179.035 176.870 -0.021 0.000 1.149 19 L CA 1.328 56.192 54.840 0.040 0.000 0.816 19 L CB -0.283 41.787 42.059 0.018 0.000 0.932 19 L HN 0.304 nan 8.230 nan 0.000 0.449 20 K N -0.030 120.315 120.400 -0.091 0.000 2.211 20 K HA -0.168 4.153 4.320 0.001 0.000 0.203 20 K C 1.166 177.487 176.600 -0.464 0.000 1.050 20 K CA 1.747 57.831 56.287 -0.339 0.000 0.945 20 K CB -0.001 32.203 32.500 -0.494 0.000 0.732 20 K HN 0.363 nan 8.250 nan 0.000 0.451 21 Y N -1.777 118.549 120.300 0.044 0.000 2.512 21 Y HA 0.378 4.929 4.550 0.001 0.000 0.268 21 Y C -0.083 175.809 175.900 -0.013 0.000 1.102 21 Y CA -0.805 57.295 58.100 0.001 0.000 1.261 21 Y CB 0.854 39.283 38.460 -0.051 0.000 1.250 21 Y HN -0.233 nan 8.280 nan 0.000 0.506 22 L N 2.504 123.814 121.223 0.145 0.000 2.408 22 L HA 0.453 4.794 4.340 0.001 0.000 0.268 22 L C -2.488 174.412 176.870 0.050 0.000 0.986 22 L CA -1.934 52.953 54.840 0.079 0.000 0.820 22 L CB 2.621 44.707 42.059 0.046 0.000 1.303 22 L HN -0.284 nan 8.230 nan 0.000 0.411 23 P HA 0.170 nan 4.420 nan 0.000 0.226 23 P C -0.818 176.474 177.300 -0.013 0.000 1.758 23 P CA 0.173 63.268 63.100 -0.007 0.000 0.896 23 P CB -0.571 31.103 31.700 -0.044 0.000 1.784 24 I N -3.613 116.962 120.570 0.008 0.000 2.828 24 I HA 0.618 4.788 4.170 0.001 0.000 0.302 24 I C -0.871 175.259 176.117 0.022 0.000 1.101 24 I CA -1.590 59.715 61.300 0.007 0.000 1.031 24 I CB 2.546 40.551 38.000 0.009 0.000 1.231 24 I HN -0.399 nan 8.210 nan 0.000 0.427 25 V N 5.207 125.131 119.914 0.016 0.000 2.435 25 V HA 0.400 4.521 4.120 0.001 0.000 0.290 25 V C 0.208 176.316 176.094 0.022 0.000 1.030 25 V CA -0.629 61.684 62.300 0.022 0.000 0.881 25 V CB 1.522 33.353 31.823 0.014 0.000 0.983 25 V HN 0.518 nan 8.190 nan 0.000 0.445 26 L N 5.068 126.310 121.223 0.033 0.000 2.319 26 L HA 0.420 4.761 4.340 0.001 0.000 0.280 26 L C 0.100 176.983 176.870 0.021 0.000 1.099 26 L CA 0.038 54.896 54.840 0.029 0.000 0.828 26 L CB 0.347 42.431 42.059 0.042 0.000 1.150 26 L HN 0.697 nan 8.230 nan 0.000 0.442 27 N N 3.613 122.321 118.700 0.013 0.000 2.384 27 N HA 0.389 5.129 4.740 0.001 0.000 0.301 27 N C -2.186 173.328 175.510 0.008 0.000 1.133 27 N CA -1.402 51.653 53.050 0.009 0.000 0.853 27 N CB 1.449 39.938 38.487 0.003 0.000 1.241 27 N HN 0.378 nan 8.380 nan 0.000 0.502 28 P HA 0.090 nan 4.420 nan 0.000 0.259 28 P C -1.033 176.269 177.300 0.004 0.000 1.480 28 P CA 0.430 63.533 63.100 0.007 0.000 0.842 28 P CB -0.230 31.474 31.700 0.006 0.000 1.513 29 D N -1.976 118.425 120.400 0.001 0.000 2.673 29 D HA 0.139 4.780 4.640 0.001 0.000 0.278 29 D C 0.573 176.871 176.300 -0.004 0.000 1.393 29 D CA -0.742 53.257 54.000 -0.002 0.000 0.805 29 D CB -0.100 40.697 40.800 -0.004 0.000 1.110 29 D HN -0.167 nan 8.370 nan 0.000 0.476 30 R N -1.102 119.398 120.500 -0.001 0.000 3.977 30 R HA -0.178 4.162 4.340 0.001 0.000 0.428 30 R C 0.249 176.544 176.300 -0.008 0.000 1.079 30 R CA 1.563 57.662 56.100 -0.002 0.000 1.269 30 R CB -2.804 27.493 30.300 -0.005 0.000 1.856 30 R HN 0.563 nan 8.270 nan 0.000 0.551 31 T N -0.714 113.833 114.554 -0.011 0.000 2.912 31 T HA 0.709 5.059 4.350 0.001 0.000 0.280 31 T C 0.667 175.362 174.700 -0.009 0.000 0.989 31 T CA -0.744 61.346 62.100 -0.017 0.000 0.995 31 T CB 1.703 70.559 68.868 -0.020 0.000 1.077 31 T HN 0.339 nan 8.240 nan 0.000 0.531 32 I N -1.490 119.073 120.570 -0.011 0.000 2.797 32 I HA 0.754 4.925 4.170 0.001 0.000 0.307 32 I C -0.743 175.370 176.117 -0.008 0.000 1.033 32 I CA -0.937 60.360 61.300 -0.005 0.000 1.071 32 I CB 2.379 40.378 38.000 -0.001 0.000 1.255 32 I HN 0.539 nan 8.210 nan 0.000 0.445 33 T N 2.766 117.317 114.554 -0.005 0.000 2.856 33 T HA 0.499 4.850 4.350 0.001 0.000 0.283 33 T C -0.303 174.390 174.700 -0.011 0.000 1.008 33 T CA -0.643 61.453 62.100 -0.008 0.000 0.997 33 T CB 1.399 70.264 68.868 -0.005 0.000 0.992 33 T HN 0.540 nan 8.240 nan 0.000 0.454 34 R N 3.042 123.530 120.500 -0.019 0.000 2.575 34 R HA 0.264 4.605 4.340 0.001 0.000 0.281 34 R C -1.635 174.646 176.300 -0.031 0.000 1.272 34 R CA -1.537 54.545 56.100 -0.030 0.000 1.417 34 R CB 0.754 31.029 30.300 -0.042 0.000 1.121 34 R HN 0.431 nan 8.270 nan 0.000 0.583 35 P HA 0.057 nan 4.420 nan 0.000 0.245 35 P C -0.033 177.250 177.300 -0.028 0.000 1.206 35 P CA 0.613 63.700 63.100 -0.022 0.000 0.781 35 P CB 0.701 32.392 31.700 -0.013 0.000 0.994 36 I N 0.973 121.520 120.570 -0.039 0.000 2.382 36 I HA 0.237 4.408 4.170 0.001 0.000 0.285 36 I C 0.418 176.497 176.117 -0.063 0.000 1.007 36 I CA -0.835 60.439 61.300 -0.044 0.000 1.142 36 I CB 1.551 39.525 38.000 -0.044 0.000 1.289 36 I HN -0.057 nan 8.210 nan 0.000 0.453 37 Q N 5.958 125.727 119.800 -0.053 0.000 2.263 37 Q HA 0.151 4.492 4.340 0.001 0.000 0.289 37 Q C -0.617 175.334 176.000 -0.082 0.000 1.061 37 Q CA 0.254 56.020 55.803 -0.060 0.000 0.927 37 Q CB 0.687 29.401 28.738 -0.040 0.000 1.154 37 Q HN 0.532 nan 8.270 nan 0.000 0.378 38 I N 8.277 128.774 120.570 -0.122 0.000 2.337 38 I HA 0.207 4.378 4.170 0.001 0.000 0.291 38 I C -1.756 174.324 176.117 -0.061 0.000 1.046 38 I CA -2.147 59.061 61.300 -0.154 0.000 1.324 38 I CB 0.769 38.545 38.000 -0.374 0.000 1.409 38 I HN 0.542 nan 8.210 nan 0.000 0.494 39 P HA 0.079 nan 4.420 nan 0.000 0.268 39 P C -0.667 176.655 177.300 0.037 0.000 1.205 39 P CA -0.077 63.028 63.100 0.008 0.000 0.771 39 P CB 0.738 32.448 31.700 0.017 0.000 0.858 40 S N 0.819 116.530 115.700 0.019 0.000 2.634 40 S HA 0.736 5.206 4.470 0.001 0.000 0.296 40 S C -0.581 174.001 174.600 -0.030 0.000 1.104 40 S CA -0.691 57.525 58.200 0.026 0.000 0.920 40 S CB 1.471 64.690 63.200 0.032 0.000 1.111 40 S HN 0.352 nan 8.310 nan 0.000 0.493 41 T N 1.551 116.054 114.554 -0.085 0.000 2.824 41 T HA 0.735 5.086 4.350 0.001 0.000 0.282 41 T C 0.093 174.682 174.700 -0.185 0.000 0.993 41 T CA -0.421 61.547 62.100 -0.219 0.000 0.967 41 T CB 1.350 69.868 68.868 -0.583 0.000 0.960 41 T HN 1.045 nan 8.240 nan 0.000 0.441 42 A N 2.512 125.255 122.820 -0.128 0.000 2.462 42 A HA 0.658 4.979 4.320 0.001 0.000 0.243 42 A C 0.893 178.436 177.584 -0.067 0.000 1.076 42 A CA -0.441 51.546 52.037 -0.083 0.000 0.773 42 A CB -0.216 18.747 19.000 -0.061 0.000 1.010 42 A HN 1.133 nan 8.150 nan 0.000 0.493 43 A N 1.610 124.407 122.820 -0.039 0.000 2.507 43 A HA 0.457 4.777 4.320 0.001 0.000 0.235 43 A C 0.748 178.340 177.584 0.012 0.000 1.070 43 A CA 0.799 52.833 52.037 -0.006 0.000 0.768 43 A CB 0.100 19.070 19.000 -0.049 0.000 1.011 43 A HN 1.554 nan 8.150 nan 0.000 0.502 44 S N 1.869 117.601 115.700 0.053 0.000 2.216 44 S HA 0.519 4.989 4.470 0.001 0.000 0.156 44 S C -2.162 172.499 174.600 0.102 0.000 1.665 44 S CA -0.907 57.330 58.200 0.062 0.000 1.262 44 S CB 0.778 64.021 63.200 0.071 0.000 1.207 44 S HN 0.572 nan 8.310 nan 0.000 0.427 45 P HA 0.175 nan 4.420 nan 0.000 0.255 45 P C -0.168 177.259 177.300 0.212 0.000 1.248 45 P CA 0.217 63.468 63.100 0.253 0.000 0.807 45 P CB -0.119 31.679 31.700 0.164 0.000 1.150 46 D N 0.574 121.033 120.400 0.098 0.000 2.256 46 D HA 0.243 4.883 4.640 0.001 0.000 0.240 46 D C -1.893 174.413 176.300 0.010 0.000 1.062 46 D CA -2.501 51.533 54.000 0.056 0.000 0.832 46 D CB 1.552 42.379 40.800 0.045 0.000 1.135 46 D HN -0.195 nan 8.370 nan 0.000 0.484 47 P HA 0.010 nan 4.420 nan 0.000 0.237 47 P C 0.792 178.085 177.300 -0.012 0.000 1.178 47 P CA 0.628 63.698 63.100 -0.049 0.000 0.766 47 P CB 0.048 31.691 31.700 -0.095 0.000 0.876 48 T N -4.164 110.392 114.554 0.003 0.000 3.113 48 T HA 0.044 4.394 4.350 0.001 0.000 0.256 48 T C 0.970 175.678 174.700 0.013 0.000 1.131 48 T CA -0.123 61.984 62.100 0.012 0.000 1.074 48 T CB -0.849 68.028 68.868 0.014 0.000 0.944 48 T HN 0.178 nan 8.240 nan 0.000 0.516 49 S N 1.963 117.670 115.700 0.012 0.000 2.576 49 S HA 0.134 4.604 4.470 0.001 0.000 0.272 49 S C 1.607 176.217 174.600 0.015 0.000 1.352 49 S CA -0.099 58.110 58.200 0.015 0.000 1.021 49 S CB 0.918 64.130 63.200 0.019 0.000 0.887 49 S HN 0.462 nan 8.310 nan 0.000 0.542 50 S N 1.487 117.198 115.700 0.019 0.000 2.423 50 S HA -0.015 4.455 4.470 0.001 0.000 0.231 50 S C 0.768 175.380 174.600 0.020 0.000 1.014 50 S CA 0.359 58.571 58.200 0.020 0.000 0.965 50 S CB -0.841 62.371 63.200 0.021 0.000 0.785 50 S HN 0.722 nan 8.310 nan 0.000 0.495 51 S N 3.873 119.585 115.700 0.020 0.000 2.549 51 S HA 0.241 4.712 4.470 0.001 0.000 0.283 51 S C -1.610 172.989 174.600 -0.001 0.000 1.320 51 S CA -1.018 57.196 58.200 0.023 0.000 1.058 51 S CB 0.668 63.894 63.200 0.042 0.000 0.882 51 S HN 0.305 nan 8.310 nan 0.000 0.498 52 P HA 0.052 nan 4.420 nan 0.000 0.230 52 P C -0.328 176.919 177.300 -0.089 0.000 1.158 52 P CA 0.579 63.657 63.100 -0.036 0.000 0.769 52 P CB 0.015 31.697 31.700 -0.031 0.000 0.807 53 V N 0.882 120.757 119.914 -0.065 0.000 2.525 53 V HA 0.249 4.369 4.120 0.001 0.000 0.299 53 V C 0.044 176.104 176.094 -0.056 0.000 1.034 53 V CA -0.847 61.401 62.300 -0.086 0.000 0.863 53 V CB 2.373 34.170 31.823 -0.042 0.000 0.999 53 V HN -0.141 nan 8.190 nan 0.000 0.423 54 L N 4.803 125.944 121.223 -0.137 0.000 2.305 54 L HA 0.665 5.006 4.340 0.001 0.000 0.281 54 L C 0.485 177.417 176.870 0.104 0.000 1.085 54 L CA 0.024 54.813 54.840 -0.083 0.000 0.813 54 L CB 1.499 43.340 42.059 -0.363 0.000 1.157 54 L HN 0.841 nan 8.230 nan 0.000 0.436 55 T N 0.444 115.116 114.554 0.197 0.000 2.893 55 T HA 0.708 5.059 4.350 0.001 0.000 0.291 55 T C -0.773 173.964 174.700 0.061 0.000 1.028 55 T CA -1.016 61.124 62.100 0.067 0.000 0.995 55 T CB 2.480 71.212 68.868 -0.226 0.000 1.051 55 T HN 0.712 nan 8.240 nan 0.000 0.470 56 K N 0.662 120.961 120.400 -0.168 0.000 2.546 56 K HA 0.565 4.885 4.320 0.001 0.000 0.264 56 K C -2.000 174.482 176.600 -0.196 0.000 0.937 56 K CA -0.891 55.234 56.287 -0.270 0.000 0.833 56 K CB 1.889 34.050 32.500 -0.566 0.000 1.378 56 K HN 0.429 nan 8.250 nan 0.000 0.432 57 D N 2.868 123.190 120.400 -0.130 0.000 2.168 57 D HA 0.385 5.026 4.640 0.001 0.000 0.246 57 D C -0.597 175.689 176.300 -0.025 0.000 1.050 57 D CA -0.273 53.715 54.000 -0.021 0.000 0.857 57 D CB 1.618 42.315 40.800 -0.173 0.000 1.169 57 D HN 0.402 nan 8.370 nan 0.000 0.453 58 L N 1.392 122.671 121.223 0.093 0.000 2.349 58 L HA 0.487 4.828 4.340 0.001 0.000 0.278 58 L C 0.412 177.356 176.870 0.124 0.000 0.996 58 L CA -1.127 53.788 54.840 0.125 0.000 0.825 58 L CB 1.832 44.065 42.059 0.291 0.000 1.243 58 L HN 0.335 nan 8.230 nan 0.000 0.412 59 A N 2.387 125.261 122.820 0.089 0.000 2.584 59 A HA 0.126 4.447 4.320 0.001 0.000 0.239 59 A C 0.477 178.066 177.584 0.009 0.000 1.043 59 A CA 0.246 52.321 52.037 0.063 0.000 0.756 59 A CB 0.257 19.288 19.000 0.052 0.000 0.963 59 A HN 0.757 nan 8.150 nan 0.000 0.511 60 L N 2.152 123.293 121.223 -0.136 0.000 2.546 60 L HA 0.393 4.734 4.340 0.001 0.000 0.182 60 L C 0.422 177.186 176.870 -0.177 0.000 1.167 60 L CA 1.224 55.818 54.840 -0.411 0.000 0.845 60 L CB 0.031 41.709 42.059 -0.635 0.000 1.134 60 L HN 0.730 nan 8.230 nan 0.000 0.500 61 N N -0.071 118.556 118.700 -0.123 0.000 2.581 61 N HA 0.311 5.051 4.740 0.001 0.000 0.279 61 N C -2.343 173.125 175.510 -0.069 0.000 1.124 61 N CA -2.114 50.861 53.050 -0.125 0.000 0.833 61 N CB 1.512 39.834 38.487 -0.275 0.000 1.338 61 N HN 0.018 nan 8.380 nan 0.000 0.533 62 P HA -0.118 nan 4.420 nan 0.000 0.221 62 P C 1.364 178.677 177.300 0.021 0.000 1.145 62 P CA 0.788 63.892 63.100 0.007 0.000 0.795 62 P CB 0.703 32.408 31.700 0.008 0.000 0.775 63 L N -1.329 119.892 121.223 -0.003 0.000 2.217 63 L HA -0.087 4.254 4.340 0.001 0.000 0.211 63 L C 2.335 179.326 176.870 0.202 0.000 1.107 63 L CA 1.254 56.135 54.840 0.067 0.000 0.783 63 L CB -0.796 41.287 42.059 0.041 0.000 0.919 63 L HN 0.148 nan 8.230 nan 0.000 0.442 64 H N -2.100 116.949 119.070 -0.034 0.000 2.652 64 H HA 0.091 4.648 4.556 0.001 0.000 0.274 64 H C 0.402 175.694 175.328 -0.060 0.000 1.021 64 H CA -0.342 55.652 56.048 -0.090 0.000 1.187 64 H CB 0.474 30.177 29.762 -0.097 0.000 1.505 64 H HN 0.167 nan 8.280 nan 0.000 0.530 65 N N 2.140 120.905 118.700 0.108 0.000 2.696 65 N HA -0.153 4.588 4.740 0.001 0.000 0.249 65 N C -0.511 175.076 175.510 0.127 0.000 1.090 65 N CA 1.058 54.165 53.050 0.095 0.000 0.716 65 N CB -0.953 37.586 38.487 0.087 0.000 1.020 65 N HN 0.494 nan 8.380 nan 0.000 0.548 66 T N -1.685 112.927 114.554 0.097 0.000 2.913 66 T HA 0.614 4.965 4.350 0.001 0.000 0.287 66 T C 0.197 174.947 174.700 0.082 0.000 1.008 66 T CA -0.425 61.709 62.100 0.056 0.000 1.067 66 T CB 1.386 70.264 68.868 0.017 0.000 0.996 66 T HN 0.350 nan 8.240 nan 0.000 0.513 67 F N -0.963 118.919 119.950 -0.113 0.000 2.685 67 F HA 0.799 5.327 4.527 0.001 0.000 0.315 67 F C -1.888 173.801 175.800 -0.185 0.000 1.126 67 F CA -1.629 56.270 58.000 -0.168 0.000 0.950 67 F CB 1.077 40.016 39.000 -0.102 0.000 1.360 67 F HN 0.458 nan 8.300 nan 0.000 0.469 68 V N 1.927 121.774 119.914 -0.111 0.000 2.540 68 V HA 0.543 4.664 4.120 0.001 0.000 0.302 68 V C -0.625 175.534 176.094 0.108 0.000 1.035 68 V CA -0.783 61.425 62.300 -0.153 0.000 0.873 68 V CB 1.700 33.373 31.823 -0.251 0.000 0.992 68 V HN 0.849 nan 8.190 nan 0.000 0.428 69 R N 4.690 125.251 120.500 0.100 0.000 2.255 69 R HA 0.606 4.947 4.340 0.001 0.000 0.326 69 R C -1.125 175.237 176.300 0.102 0.000 0.986 69 R CA -0.534 55.641 56.100 0.124 0.000 0.847 69 R CB 0.716 31.107 30.300 0.151 0.000 1.111 69 R HN 0.699 nan 8.270 nan 0.000 0.452 70 L N 5.724 126.960 121.223 0.021 0.000 2.305 70 L HA 0.375 4.716 4.340 0.001 0.000 0.281 70 L C -0.674 176.211 176.870 0.025 0.000 1.085 70 L CA -0.363 54.561 54.840 0.139 0.000 0.813 70 L CB 0.763 42.931 42.059 0.182 0.000 1.157 70 L HN 0.578 nan 8.230 nan 0.000 0.436 71 F N 4.198 124.242 119.950 0.156 0.000 2.402 71 F HA 0.412 4.939 4.527 0.001 0.000 0.355 71 F C -0.147 175.662 175.800 0.013 0.000 1.123 71 F CA -0.668 57.372 58.000 0.066 0.000 1.021 71 F CB 1.613 40.571 39.000 -0.069 0.000 1.160 71 F HN 0.254 nan 8.300 nan 0.000 0.451 72 L N 7.490 128.731 121.223 0.030 0.000 2.318 72 L HA 0.600 4.940 4.340 0.001 0.000 0.277 72 L C -2.463 174.198 176.870 -0.349 0.000 1.008 72 L CA -2.412 52.273 54.840 -0.259 0.000 0.846 72 L CB 0.888 42.528 42.059 -0.698 0.000 1.220 72 L HN 0.179 nan 8.230 nan 0.000 0.423 73 P HA 0.048 nan 4.420 nan 0.000 0.268 73 P C 0.243 177.231 177.300 -0.520 0.000 1.204 73 P CA -0.050 62.763 63.100 -0.479 0.000 0.768 73 P CB 0.717 31.984 31.700 -0.722 0.000 0.842 74 R N 2.819 123.087 120.500 -0.387 0.000 2.139 74 R HA -0.229 4.112 4.340 0.001 0.000 0.243 74 R C 1.972 178.176 176.300 -0.159 0.000 1.145 74 R CA 1.967 57.915 56.100 -0.255 0.000 0.976 74 R CB -0.613 29.645 30.300 -0.071 0.000 0.866 74 R HN 0.667 nan 8.270 nan 0.000 0.449 75 H N -2.084 116.973 119.070 -0.022 0.000 2.546 75 H HA 0.195 4.751 4.556 0.001 0.000 0.277 75 H C 1.536 176.865 175.328 0.002 0.000 1.004 75 H CA 0.765 56.854 56.048 0.068 0.000 1.231 75 H CB -0.164 29.619 29.762 0.035 0.000 1.382 75 H HN 0.256 nan 8.280 nan 0.000 0.580 76 A N 1.257 124.027 122.820 -0.083 0.000 2.066 76 A HA 0.055 4.376 4.320 0.001 0.000 0.218 76 A C 2.022 179.617 177.584 0.019 0.000 1.157 76 A CA 0.902 52.941 52.037 0.004 0.000 0.670 76 A CB -0.562 18.377 19.000 -0.101 0.000 0.804 76 A HN 0.471 nan 8.150 nan 0.000 0.453 77 L N -2.428 118.649 121.223 -0.242 0.000 2.492 77 L HA 0.018 4.359 4.340 0.001 0.000 0.223 77 L C 0.797 177.452 176.870 -0.358 0.000 1.132 77 L CA 0.493 55.126 54.840 -0.345 0.000 0.850 77 L CB -0.178 41.445 42.059 -0.727 0.000 0.966 77 L HN 0.436 nan 8.230 nan 0.000 0.454 78 Y N -0.035 120.294 120.300 0.049 0.000 2.720 78 Y HA 0.232 4.783 4.550 0.001 0.000 0.268 78 Y C 0.403 176.328 175.900 0.042 0.000 1.142 78 Y CA -1.243 56.879 58.100 0.036 0.000 1.193 78 Y CB -0.342 38.131 38.460 0.022 0.000 1.176 78 Y HN 0.323 nan 8.280 nan 0.000 0.542 79 N N -2.645 116.139 118.700 0.140 0.000 3.439 79 N HA 0.381 5.122 4.740 0.001 0.000 0.313 79 N C -0.298 175.251 175.510 0.065 0.000 1.598 79 N CA -0.766 52.343 53.050 0.097 0.000 0.830 79 N CB 0.771 39.313 38.487 0.091 0.000 1.849 79 N HN -0.272 nan 8.380 nan 0.000 0.598 80 S N -1.781 113.940 115.700 0.034 0.000 2.937 80 S HA 0.609 5.079 4.470 0.001 0.000 0.252 80 S C -0.307 174.285 174.600 -0.012 0.000 1.022 80 S CA -0.140 58.052 58.200 -0.013 0.000 1.079 80 S CB -0.005 63.177 63.200 -0.030 0.000 1.035 80 S HN 0.856 nan 8.310 nan 0.000 0.594 81 A N 1.734 124.570 122.820 0.026 0.000 2.279 81 A HA 0.689 5.010 4.320 0.001 0.000 0.303 81 A C -0.097 177.522 177.584 0.058 0.000 1.108 81 A CA -0.373 51.683 52.037 0.032 0.000 0.830 81 A CB 0.598 19.620 19.000 0.037 0.000 1.106 81 A HN 0.313 nan 8.150 nan 0.000 0.493 82 K N 0.722 121.157 120.400 0.058 0.000 2.159 82 K HA 0.557 4.877 4.320 0.001 0.000 0.266 82 K C -0.988 175.677 176.600 0.109 0.000 0.975 82 K CA -0.144 56.199 56.287 0.093 0.000 0.865 82 K CB 1.359 33.909 32.500 0.084 0.000 1.087 82 K HN 0.584 nan 8.250 nan 0.000 0.446 83 L N 4.140 125.443 121.223 0.133 0.000 2.357 83 L HA 0.373 4.714 4.340 0.001 0.000 0.273 83 L C -2.134 174.811 176.870 0.125 0.000 1.080 83 L CA -2.473 52.439 54.840 0.119 0.000 0.803 83 L CB 0.768 42.891 42.059 0.108 0.000 1.174 83 L HN 0.331 nan 8.230 nan 0.000 0.443 84 P HA -0.031 nan 4.420 nan 0.000 0.265 84 P C -0.731 176.661 177.300 0.154 0.000 1.187 84 P CA -0.146 63.061 63.100 0.179 0.000 0.766 84 P CB 0.464 32.333 31.700 0.282 0.000 0.820 85 L N 5.224 126.517 121.223 0.117 0.000 2.264 85 L HA 0.343 4.684 4.340 0.001 0.000 0.289 85 L C -0.949 175.994 176.870 0.120 0.000 1.044 85 L CA -0.269 54.611 54.840 0.066 0.000 0.807 85 L CB 0.988 42.997 42.059 -0.083 0.000 1.192 85 L HN 0.038 nan 8.230 nan 0.000 0.425 86 V N 6.123 126.120 119.914 0.138 0.000 2.370 86 V HA 0.374 4.495 4.120 0.001 0.000 0.283 86 V C -0.177 175.997 176.094 0.134 0.000 1.023 86 V CA -0.764 61.643 62.300 0.178 0.000 0.857 86 V CB 1.594 33.529 31.823 0.188 0.000 0.985 86 V HN 0.508 nan 8.190 nan 0.000 0.443 87 V N 5.992 125.976 119.914 0.117 0.000 2.368 87 V HA 0.287 4.408 4.120 0.001 0.000 0.266 87 V C -0.564 175.539 176.094 0.015 0.000 1.045 87 V CA -0.443 61.876 62.300 0.032 0.000 0.899 87 V CB 0.482 32.330 31.823 0.042 0.000 1.006 87 V HN 0.767 nan 8.190 nan 0.000 0.470 88 Y N 5.824 125.978 120.300 -0.243 0.000 2.377 88 Y HA 0.690 5.241 4.550 0.001 0.000 0.339 88 Y C -0.883 174.729 175.900 -0.480 0.000 1.011 88 Y CA -1.252 56.743 58.100 -0.176 0.000 1.093 88 Y CB 1.512 39.952 38.460 -0.034 0.000 1.201 88 Y HN 0.524 nan 8.280 nan 0.000 0.455 89 F N 5.241 124.847 119.950 -0.572 0.000 2.449 89 F HA 0.315 4.843 4.527 0.001 0.000 0.342 89 F C 0.032 175.357 175.800 -0.791 0.000 1.127 89 F CA -0.958 56.771 58.000 -0.452 0.000 0.975 89 F CB 0.774 39.550 39.000 -0.374 0.000 1.146 89 F HN 0.661 nan 8.300 nan 0.000 0.444 90 H N 0.591 119.450 119.070 -0.351 0.000 2.730 90 H HA 0.622 5.178 4.556 0.001 0.000 0.376 90 H C 0.443 175.417 175.328 -0.590 0.000 1.299 90 H CA -0.499 55.064 56.048 -0.809 0.000 1.447 90 H CB 0.359 29.403 29.762 -1.196 0.000 1.493 90 H HN 0.695 nan 8.280 nan 0.000 0.619 91 G N -2.028 106.346 108.800 -0.710 0.000 2.568 91 G HA2 0.476 4.437 3.960 0.001 0.000 0.293 91 G HA3 0.476 4.437 3.960 0.001 0.000 0.293 91 G C 0.364 175.181 174.900 -0.138 0.000 1.347 91 G CA -1.014 43.907 45.100 -0.298 0.000 1.039 91 G HN 1.465 nan 8.290 nan 0.000 0.523 92 G N -2.769 105.980 108.800 -0.085 0.000 2.215 92 G HA2 0.389 4.350 3.960 0.001 0.000 0.187 92 G HA3 0.389 4.350 3.960 0.001 0.000 0.187 92 G C 1.092 176.011 174.900 0.033 0.000 1.039 92 G CA 0.741 45.937 45.100 0.161 0.000 0.771 92 G HN 2.348 nan 8.290 nan 0.000 0.507 93 G N -0.592 108.069 108.800 -0.231 0.000 2.187 93 G HA2 -0.138 3.822 3.960 0.001 0.000 0.261 93 G HA3 -0.138 3.822 3.960 0.001 0.000 0.261 93 G C 0.945 175.771 174.900 -0.124 0.000 1.000 93 G CA 1.086 46.007 45.100 -0.299 0.000 0.718 93 G HN 1.802 nan 8.290 nan 0.000 0.519 94 F N -3.202 116.712 119.950 -0.059 0.000 2.544 94 F HA -0.295 4.233 4.527 0.001 0.000 0.389 94 F C 1.832 177.660 175.800 0.046 0.000 0.588 94 F CA 1.899 59.895 58.000 -0.007 0.000 1.461 94 F CB -1.794 37.126 39.000 -0.133 0.000 1.995 94 F HN 0.640 nan 8.300 nan 0.000 0.282 95 I N -3.528 117.150 120.570 0.179 0.000 4.456 95 I HA 0.492 4.662 4.170 0.001 0.000 0.329 95 I C 0.383 176.559 176.117 0.099 0.000 1.313 95 I CA 0.027 61.398 61.300 0.118 0.000 1.205 95 I CB 0.735 38.775 38.000 0.067 0.000 1.179 95 I HN 0.003 nan 8.210 nan 0.000 0.419 96 L N 0.165 121.482 121.223 0.158 0.000 2.397 96 L HA 0.666 5.007 4.340 0.001 0.000 0.251 96 L C -1.093 175.982 176.870 0.342 0.000 1.064 96 L CA -0.778 54.143 54.840 0.135 0.000 0.859 96 L CB 1.900 43.996 42.059 0.062 0.000 1.468 96 L HN 0.059 nan 8.230 nan 0.000 0.411 97 F N -1.095 118.884 119.950 0.048 0.000 2.183 97 F HA -0.128 4.400 4.527 0.001 0.000 0.318 97 F C 0.075 175.644 175.800 -0.385 0.000 0.517 97 F CA 0.978 58.947 58.000 -0.051 0.000 0.912 97 F CB -0.983 38.085 39.000 0.114 0.000 4.135 97 F HN 0.612 nan 8.300 nan 0.000 0.137 98 S N -0.776 114.648 115.700 -0.460 0.000 2.625 98 S HA 0.757 5.227 4.470 0.001 0.000 0.271 98 S C 0.166 174.455 174.600 -0.518 0.000 1.161 98 S CA -0.167 57.701 58.200 -0.553 0.000 0.820 98 S CB 1.668 64.811 63.200 -0.095 0.000 1.137 98 S HN 1.603 nan 8.310 nan 0.000 0.470 99 A N 1.234 123.875 122.820 -0.300 0.000 2.070 99 A HA 0.302 4.623 4.320 0.001 0.000 0.220 99 A C 1.844 179.585 177.584 0.262 0.000 1.159 99 A CA 1.792 53.822 52.037 -0.012 0.000 0.656 99 A CB -0.968 17.954 19.000 -0.130 0.000 0.800 99 A HN 1.343 nan 8.150 nan 0.000 0.453 100 A N -0.907 122.070 122.820 0.263 0.000 2.267 100 A HA 0.416 4.736 4.320 0.001 0.000 0.213 100 A C 1.074 178.806 177.584 0.247 0.000 1.192 100 A CA 0.166 52.391 52.037 0.313 0.000 0.851 100 A CB -0.198 18.983 19.000 0.302 0.000 0.881 100 A HN 0.261 nan 8.150 nan 0.000 0.494 101 S N 0.982 116.837 115.700 0.258 0.000 2.546 101 S HA 0.127 4.598 4.470 0.001 0.000 0.290 101 S C 1.479 176.270 174.600 0.318 0.000 1.290 101 S CA 0.359 58.734 58.200 0.292 0.000 1.069 101 S CB 0.880 64.376 63.200 0.493 0.000 0.846 101 S HN 0.543 nan 8.310 nan 0.000 0.495 102 T N 3.979 118.657 114.554 0.206 0.000 2.653 102 T HA -0.221 4.130 4.350 0.001 0.000 0.268 102 T C 1.846 176.663 174.700 0.195 0.000 1.035 102 T CA 2.107 64.311 62.100 0.173 0.000 1.154 102 T CB -0.631 68.293 68.868 0.093 0.000 0.862 102 T HN 0.812 nan 8.240 nan 0.000 0.441 103 I N -1.558 119.072 120.570 0.100 0.000 2.286 103 I HA -0.059 4.112 4.170 0.001 0.000 0.248 103 I C 1.985 178.017 176.117 -0.142 0.000 1.115 103 I CA 1.635 62.886 61.300 -0.082 0.000 1.392 103 I CB -0.705 37.120 38.000 -0.291 0.000 1.065 103 I HN 0.041 nan 8.210 nan 0.000 0.418 104 F N 0.732 120.791 119.950 0.182 0.000 2.335 104 F HA -0.035 4.493 4.527 0.001 0.000 0.296 104 F C 2.671 178.577 175.800 0.178 0.000 1.091 104 F CA 1.399 59.507 58.000 0.180 0.000 1.399 104 F CB -0.973 38.150 39.000 0.205 0.000 1.067 104 F HN 0.185 nan 8.300 nan 0.000 0.520 105 H N 0.678 119.955 119.070 0.346 0.000 2.293 105 H HA -0.157 4.400 4.556 0.001 0.000 0.300 105 H C 1.378 176.847 175.328 0.235 0.000 1.082 105 H CA 2.167 58.447 56.048 0.387 0.000 1.308 105 H CB -0.206 29.773 29.762 0.362 0.000 1.375 105 H HN 0.103 nan 8.280 nan 0.000 0.495 106 D N 0.030 120.627 120.400 0.329 0.000 2.117 106 D HA -0.146 4.494 4.640 0.001 0.000 0.197 106 D C 2.117 178.467 176.300 0.083 0.000 0.987 106 D CA 0.778 54.898 54.000 0.199 0.000 0.829 106 D CB -0.771 40.146 40.800 0.195 0.000 0.961 106 D HN 0.349 nan 8.370 nan 0.000 0.460 107 F N 0.612 120.542 119.950 -0.032 0.000 2.171 107 F HA -0.194 4.334 4.527 0.001 0.000 0.300 107 F C 2.180 177.872 175.800 -0.180 0.000 1.090 107 F CA 1.062 59.046 58.000 -0.027 0.000 1.293 107 F CB -0.075 38.916 39.000 -0.016 0.000 1.013 107 F HN -0.030 nan 8.300 nan 0.000 0.486 108 C N -0.797 118.282 119.300 -0.367 0.000 2.485 108 C HA -0.065 4.396 4.460 0.001 0.000 0.278 108 C C 3.024 177.559 174.990 -0.760 0.000 1.356 108 C CA 0.734 59.262 59.018 -0.816 0.000 1.747 108 C CB -1.579 25.250 27.740 -1.519 0.000 2.001 108 C HN 0.716 nan 8.230 nan 0.000 0.501 109 C N 0.594 119.597 119.300 -0.494 0.000 2.413 109 C HA -0.104 4.356 4.460 0.001 0.000 0.276 109 C C 2.658 177.471 174.990 -0.295 0.000 1.236 109 C CA 1.054 59.930 59.018 -0.237 0.000 1.735 109 C CB -1.105 26.579 27.740 -0.094 0.000 2.031 109 C HN 0.591 nan 8.230 nan 0.000 0.474 110 E N 0.177 120.183 120.200 -0.323 0.000 2.072 110 E HA -0.198 4.152 4.350 0.001 0.000 0.191 110 E C 1.991 178.081 176.600 -0.850 0.000 0.985 110 E CA 1.014 57.218 56.400 -0.327 0.000 0.801 110 E CB -0.625 29.006 29.700 -0.114 0.000 0.750 110 E HN 0.734 nan 8.360 nan 0.000 0.452 111 M N 0.593 119.471 119.600 -1.203 0.000 2.117 111 M HA -0.137 4.343 4.480 0.001 0.000 0.262 111 M C 2.172 178.046 176.300 -0.709 0.000 1.065 111 M CA 1.820 56.294 55.300 -1.377 0.000 1.114 111 M CB -0.045 32.020 32.600 -0.892 0.000 1.361 111 M HN 0.078 nan 8.290 nan 0.000 0.408 112 A N -0.426 122.095 122.820 -0.499 0.000 1.908 112 A HA -0.126 4.194 4.320 0.001 0.000 0.218 112 A C 2.031 179.439 177.584 -0.293 0.000 1.181 112 A CA 2.046 53.893 52.037 -0.316 0.000 0.627 112 A CB -1.106 17.753 19.000 -0.235 0.000 0.818 112 A HN 0.430 nan 8.150 nan 0.000 0.445 113 V N -0.633 119.066 119.914 -0.358 0.000 2.323 113 V HA -0.165 3.956 4.120 0.001 0.000 0.244 113 V C 2.200 178.070 176.094 -0.373 0.000 1.041 113 V CA 1.851 63.953 62.300 -0.330 0.000 1.025 113 V CB -0.909 30.617 31.823 -0.494 0.000 0.656 113 V HN 0.672 nan 8.190 nan 0.000 0.451 114 H N -0.708 118.192 119.070 -0.283 0.000 2.553 114 H HA 0.356 4.913 4.556 0.001 0.000 0.265 114 H C 1.812 177.015 175.328 -0.208 0.000 0.964 114 H CA 1.007 56.921 56.048 -0.223 0.000 1.156 114 H CB 0.444 30.102 29.762 -0.174 0.000 1.411 114 H HN 0.463 nan 8.280 nan 0.000 0.558 115 A N -0.129 122.560 122.820 -0.218 0.000 2.431 115 A HA 0.401 4.721 4.320 0.001 0.000 0.239 115 A C 1.490 179.025 177.584 -0.081 0.000 1.230 115 A CA 0.419 52.374 52.037 -0.135 0.000 0.928 115 A CB 0.231 19.130 19.000 -0.170 0.000 1.006 115 A HN 0.300 nan 8.150 nan 0.000 0.520 116 G N 0.107 108.880 108.800 -0.046 0.000 2.353 116 G HA2 0.058 4.018 3.960 0.001 0.000 0.294 116 G HA3 0.058 4.018 3.960 0.001 0.000 0.294 116 G C -0.022 174.899 174.900 0.034 0.000 1.077 116 G CA 0.492 45.632 45.100 0.066 0.000 1.098 116 G HN 1.813 nan 8.290 nan 0.000 0.511 117 V N -2.653 117.248 119.914 -0.022 0.000 2.789 117 V HA 0.859 4.979 4.120 0.001 0.000 0.311 117 V C 0.467 176.557 176.094 -0.006 0.000 1.073 117 V CA -1.403 60.897 62.300 -0.000 0.000 0.921 117 V CB 2.171 33.992 31.823 -0.005 0.000 1.009 117 V HN 0.629 nan 8.190 nan 0.000 0.426 118 V N 4.556 124.499 119.914 0.050 0.000 2.614 118 V HA 0.450 4.571 4.120 0.001 0.000 0.291 118 V C 0.069 176.223 176.094 0.101 0.000 1.049 118 V CA 0.096 62.445 62.300 0.082 0.000 1.038 118 V CB 1.140 33.042 31.823 0.132 0.000 0.980 118 V HN 0.765 nan 8.190 nan 0.000 0.481 119 I N 3.396 124.058 120.570 0.153 0.000 2.436 119 I HA 0.615 4.785 4.170 0.001 0.000 0.289 119 I C 0.140 176.416 176.117 0.264 0.000 1.010 119 I CA -0.456 60.941 61.300 0.160 0.000 1.098 119 I CB 1.896 39.909 38.000 0.023 0.000 1.266 119 I HN 0.643 nan 8.210 nan 0.000 0.434 120 A N 4.409 127.344 122.820 0.191 0.000 2.412 120 A HA 0.542 4.863 4.320 0.001 0.000 0.334 120 A C -0.157 177.488 177.584 0.102 0.000 1.419 120 A CA -0.302 51.841 52.037 0.177 0.000 0.930 120 A CB 0.575 19.667 19.000 0.153 0.000 1.149 120 A HN 0.565 nan 8.150 nan 0.000 0.515 121 S N 2.378 118.190 115.700 0.186 0.000 2.422 121 S HA 0.444 4.914 4.470 0.001 0.000 0.298 121 S C -0.099 174.470 174.600 -0.052 0.000 1.118 121 S CA -0.368 57.916 58.200 0.141 0.000 1.083 121 S CB 0.151 63.582 63.200 0.385 0.000 0.971 121 S HN 0.551 nan 8.310 nan 0.000 0.478 122 V N 5.234 125.004 119.914 -0.240 0.000 2.461 122 V HA 0.207 4.327 4.120 0.001 0.000 0.275 122 V C 0.284 176.307 176.094 -0.119 0.000 1.047 122 V CA -0.584 61.573 62.300 -0.240 0.000 0.955 122 V CB 1.253 32.900 31.823 -0.293 0.000 0.988 122 V HN 0.840 nan 8.190 nan 0.000 0.471 123 D N 4.065 124.234 120.400 -0.385 0.000 2.468 123 D HA 0.339 4.980 4.640 0.001 0.000 0.218 123 D C -0.282 175.899 176.300 -0.199 0.000 1.155 123 D CA -0.316 53.399 54.000 -0.474 0.000 0.924 123 D CB 0.100 40.182 40.800 -1.198 0.000 1.029 123 D HN 0.534 nan 8.370 nan 0.000 0.515 124 Y N 0.323 120.627 120.300 0.008 0.000 2.374 124 Y HA 0.539 5.090 4.550 0.001 0.000 0.322 124 Y C 0.591 176.501 175.900 0.017 0.000 1.275 124 Y CA -1.410 56.704 58.100 0.024 0.000 1.307 124 Y CB 0.543 39.044 38.460 0.068 0.000 1.282 124 Y HN -0.043 nan 8.280 nan 0.000 0.509 125 R N 1.527 122.118 120.500 0.152 0.000 2.590 125 R HA 0.340 4.680 4.340 0.001 0.000 0.274 125 R C -0.856 175.553 176.300 0.183 0.000 1.061 125 R CA -0.276 55.849 56.100 0.043 0.000 1.081 125 R CB 0.284 30.451 30.300 -0.221 0.000 0.984 125 R HN 0.659 nan 8.270 nan 0.000 0.448 126 L N 1.905 123.244 121.223 0.194 0.000 2.334 126 L HA 0.494 4.835 4.340 0.001 0.000 0.275 126 L C 0.436 177.404 176.870 0.164 0.000 1.036 126 L CA -0.907 54.044 54.840 0.184 0.000 0.807 126 L CB 1.610 43.735 42.059 0.111 0.000 1.231 126 L HN 0.659 nan 8.230 nan 0.000 0.438 127 A N 3.284 126.168 122.820 0.108 0.000 2.322 127 A HA 0.463 4.784 4.320 0.001 0.000 0.269 127 A C -1.657 175.934 177.584 0.012 0.000 1.094 127 A CA -1.208 50.846 52.037 0.029 0.000 0.807 127 A CB 0.012 19.021 19.000 0.015 0.000 1.047 127 A HN 0.643 nan 8.150 nan 0.000 0.487 128 P HA -0.039 nan 4.420 nan 0.000 0.237 128 P C 0.428 177.657 177.300 -0.118 0.000 1.178 128 P CA 0.807 63.873 63.100 -0.057 0.000 0.766 128 P CB 0.281 31.955 31.700 -0.044 0.000 0.876 129 E N -0.265 119.825 120.200 -0.183 0.000 2.153 129 E HA -0.145 4.206 4.350 0.001 0.000 0.194 129 E C 0.122 176.318 176.600 -0.673 0.000 0.988 129 E CA 1.224 57.375 56.400 -0.415 0.000 0.811 129 E CB -0.634 28.782 29.700 -0.474 0.000 0.746 129 E HN 0.587 nan 8.360 nan 0.000 0.466 130 H N -0.583 118.459 119.070 -0.046 0.000 2.607 130 H HA 0.343 4.899 4.556 0.001 0.000 0.248 130 H C -0.705 174.565 175.328 -0.096 0.000 1.355 130 H CA -0.609 55.394 56.048 -0.075 0.000 1.524 130 H CB 0.532 30.242 29.762 -0.085 0.000 1.563 130 H HN -0.143 nan 8.280 nan 0.000 0.509 131 R N 1.209 121.680 120.500 -0.047 0.000 2.756 131 R HA 0.114 4.455 4.340 0.001 0.000 0.264 131 R C 0.000 176.196 176.300 -0.174 0.000 1.026 131 R CA -0.407 55.632 56.100 -0.103 0.000 1.121 131 R CB 0.696 30.945 30.300 -0.085 0.000 0.999 131 R HN 0.411 nan 8.270 nan 0.000 0.449 132 L N 3.909 124.944 121.223 -0.312 0.000 2.543 132 L HA -0.027 4.314 4.340 0.001 0.000 0.285 132 L C -1.207 175.487 176.870 -0.293 0.000 1.236 132 L CA -0.787 53.727 54.840 -0.542 0.000 0.871 132 L CB 0.261 41.859 42.059 -0.769 0.000 1.121 132 L HN 0.527 nan 8.230 nan 0.000 0.501 133 P HA 0.041 nan 4.420 nan 0.000 0.257 133 P C 0.965 177.998 177.300 -0.445 0.000 1.281 133 P CA 0.319 63.055 63.100 -0.606 0.000 0.826 133 P CB 0.371 31.944 31.700 -0.211 0.000 1.237 134 A N 1.650 124.292 122.820 -0.298 0.000 1.909 134 A HA -0.259 4.062 4.320 0.001 0.000 0.221 134 A C 2.367 179.834 177.584 -0.196 0.000 1.223 134 A CA 2.719 54.637 52.037 -0.198 0.000 0.658 134 A CB -1.533 17.393 19.000 -0.123 0.000 0.831 134 A HN 0.295 nan 8.150 nan 0.000 0.462 135 A N -1.868 120.777 122.820 -0.291 0.000 1.968 135 A HA 0.114 4.435 4.320 0.001 0.000 0.217 135 A C 2.012 179.452 177.584 -0.241 0.000 1.169 135 A CA 1.358 53.258 52.037 -0.228 0.000 0.638 135 A CB -0.685 18.130 19.000 -0.309 0.000 0.812 135 A HN 0.594 nan 8.150 nan 0.000 0.446 136 Y N 1.169 121.308 120.300 -0.268 0.000 2.165 136 Y HA -0.205 4.345 4.550 0.001 0.000 0.286 136 Y C 2.084 177.910 175.900 -0.123 0.000 1.155 136 Y CA 0.744 58.700 58.100 -0.241 0.000 1.164 136 Y CB -1.133 37.179 38.460 -0.247 0.000 0.978 136 Y HN 0.296 nan 8.280 nan 0.000 0.513 137 D N 0.134 120.568 120.400 0.057 0.000 2.104 137 D HA -0.163 4.477 4.640 0.001 0.000 0.194 137 D C 1.676 178.039 176.300 0.105 0.000 0.994 137 D CA 1.654 55.700 54.000 0.076 0.000 0.830 137 D CB -0.382 40.452 40.800 0.057 0.000 0.959 137 D HN 0.336 nan 8.370 nan 0.000 0.452 138 D N 0.275 120.737 120.400 0.103 0.000 2.144 138 D HA -0.063 4.578 4.640 0.001 0.000 0.200 138 D C 2.021 178.429 176.300 0.179 0.000 0.978 138 D CA 1.068 55.159 54.000 0.152 0.000 0.833 138 D CB -0.291 40.613 40.800 0.172 0.000 0.961 138 D HN 0.134 nan 8.370 nan 0.000 0.470 139 A N 1.225 124.147 122.820 0.170 0.000 1.865 139 A HA -0.214 4.107 4.320 0.001 0.000 0.217 139 A C 2.132 179.849 177.584 0.222 0.000 1.191 139 A CA 1.664 53.845 52.037 0.240 0.000 0.623 139 A CB -0.437 18.425 19.000 -0.230 0.000 0.826 139 A HN 0.087 nan 8.150 nan 0.000 0.444 140 M N -0.224 119.461 119.600 0.141 0.000 2.117 140 M HA -0.131 4.350 4.480 0.001 0.000 0.262 140 M C 1.880 178.271 176.300 0.152 0.000 1.065 140 M CA 1.468 56.851 55.300 0.139 0.000 1.114 140 M CB -1.696 30.970 32.600 0.110 0.000 1.361 140 M HN 0.551 nan 8.290 nan 0.000 0.408 141 E N 0.368 120.653 120.200 0.140 0.000 2.110 141 E HA -0.127 4.224 4.350 0.001 0.000 0.193 141 E C 2.134 178.836 176.600 0.170 0.000 0.988 141 E CA 1.283 57.764 56.400 0.136 0.000 0.804 141 E CB -0.197 29.552 29.700 0.081 0.000 0.745 141 E HN 0.518 nan 8.360 nan 0.000 0.458 142 A N 1.557 124.466 122.820 0.149 0.000 1.877 142 A HA -0.175 4.146 4.320 0.001 0.000 0.216 142 A C 2.251 180.012 177.584 0.295 0.000 1.186 142 A CA 1.131 53.261 52.037 0.154 0.000 0.620 142 A CB -0.728 18.339 19.000 0.111 0.000 0.822 142 A HN 0.116 nan 8.150 nan 0.000 0.443 143 L N -0.760 120.611 121.223 0.246 0.000 1.989 143 L HA -0.264 4.076 4.340 0.001 0.000 0.211 143 L C 2.916 179.922 176.870 0.227 0.000 1.071 143 L CA 1.488 56.459 54.840 0.217 0.000 0.749 143 L CB -0.828 41.336 42.059 0.176 0.000 0.890 143 L HN 0.388 nan 8.230 nan 0.000 0.431 144 Q N -0.774 119.157 119.800 0.220 0.000 2.096 144 Q HA -0.268 4.073 4.340 0.001 0.000 0.204 144 Q C 1.969 178.119 176.000 0.250 0.000 0.982 144 Q CA 2.022 57.945 55.803 0.201 0.000 0.850 144 Q CB -0.567 28.271 28.738 0.167 0.000 0.901 144 Q HN 0.673 nan 8.270 nan 0.000 0.422 145 W N 0.978 122.328 121.300 0.083 0.000 2.425 145 W HA -0.083 4.578 4.660 0.001 0.000 0.277 145 W C 1.693 178.275 176.519 0.105 0.000 1.231 145 W CA 0.755 58.148 57.345 0.081 0.000 1.248 145 W CB -0.074 29.428 29.460 0.069 0.000 1.117 145 W HN 0.018 nan 8.180 nan 0.000 0.568 146 I N 0.943 121.735 120.570 0.370 0.000 2.162 146 I HA -0.307 3.864 4.170 0.001 0.000 0.238 146 I C 2.705 178.953 176.117 0.219 0.000 1.076 146 I CA 1.755 63.171 61.300 0.193 0.000 1.353 146 I CB -0.808 37.309 38.000 0.195 0.000 1.063 146 I HN -0.105 nan 8.210 nan 0.000 0.408 147 K N 1.151 121.694 120.400 0.238 0.000 2.049 147 K HA -0.324 3.997 4.320 0.001 0.000 0.219 147 K C 1.426 178.109 176.600 0.139 0.000 1.056 147 K CA 2.647 59.085 56.287 0.251 0.000 0.946 147 K CB -0.396 32.206 32.500 0.170 0.000 0.723 147 K HN 0.240 nan 8.250 nan 0.000 0.453 148 D N 0.791 121.222 120.400 0.052 0.000 2.371 148 D HA -0.027 4.613 4.640 0.001 0.000 0.221 148 D C 0.550 176.769 176.300 -0.135 0.000 0.986 148 D CA 0.331 54.310 54.000 -0.034 0.000 0.899 148 D CB -0.003 40.782 40.800 -0.025 0.000 0.902 148 D HN 0.165 nan 8.370 nan 0.000 0.530 149 S N 0.040 115.631 115.700 -0.182 0.000 2.576 149 S HA 0.157 4.628 4.470 0.001 0.000 0.276 149 S C 0.953 175.442 174.600 -0.185 0.000 1.339 149 S CA -0.260 57.753 58.200 -0.312 0.000 1.039 149 S CB 0.642 63.549 63.200 -0.488 0.000 0.902 149 S HN 0.079 nan 8.310 nan 0.000 0.516 150 R N 2.069 122.459 120.500 -0.183 0.000 2.629 150 R HA 0.147 4.487 4.340 0.001 0.000 0.386 150 R C -0.587 175.664 176.300 -0.080 0.000 1.071 150 R CA -0.361 55.667 56.100 -0.120 0.000 1.104 150 R CB -0.070 30.169 30.300 -0.101 0.000 1.370 150 R HN 0.673 nan 8.270 nan 0.000 0.574 151 D N 1.342 121.685 120.400 -0.094 0.000 2.525 151 D HA -0.084 4.556 4.640 0.001 0.000 0.235 151 D C 0.740 177.083 176.300 0.071 0.000 1.137 151 D CA 0.383 54.364 54.000 -0.033 0.000 0.868 151 D CB 1.080 41.849 40.800 -0.053 0.000 1.180 151 D HN -0.005 nan 8.370 nan 0.000 0.465 152 E N 2.443 122.712 120.200 0.116 0.000 2.110 152 E HA -0.127 4.223 4.350 0.001 0.000 0.193 152 E C 1.241 178.109 176.600 0.446 0.000 0.988 152 E CA 1.218 57.757 56.400 0.230 0.000 0.804 152 E CB -0.161 29.693 29.700 0.255 0.000 0.745 152 E HN 0.662 nan 8.360 nan 0.000 0.458 153 W N 0.437 121.853 121.300 0.193 0.000 2.409 153 W HA 0.094 4.755 4.660 0.001 0.000 0.299 153 W C 1.936 178.641 176.519 0.310 0.000 1.203 153 W CA 0.342 57.872 57.345 0.308 0.000 1.298 153 W CB -1.023 28.514 29.460 0.127 0.000 1.127 153 W HN 0.063 nan 8.180 nan 0.000 0.528 154 L N 0.046 121.542 121.223 0.456 0.000 2.017 154 L HA -0.225 4.116 4.340 0.001 0.000 0.208 154 L C 2.733 179.812 176.870 0.350 0.000 1.073 154 L CA 2.251 57.339 54.840 0.414 0.000 0.745 154 L CB -1.556 40.734 42.059 0.386 0.000 0.894 154 L HN 0.082 nan 8.230 nan 0.000 0.432 155 T N -2.952 111.714 114.554 0.186 0.000 2.777 155 T HA -0.111 4.240 4.350 0.001 0.000 0.266 155 T C 1.666 176.363 174.700 -0.005 0.000 1.040 155 T CA 1.314 63.426 62.100 0.021 0.000 1.141 155 T CB -0.299 68.536 68.868 -0.056 0.000 0.868 155 T HN 0.187 nan 8.240 nan 0.000 0.444 156 N N 0.346 119.039 118.700 -0.011 0.000 2.457 156 N HA 0.167 4.908 4.740 0.001 0.000 0.180 156 N C 0.467 175.668 175.510 -0.515 0.000 1.050 156 N CA 0.644 53.489 53.050 -0.341 0.000 0.906 156 N CB -0.112 38.015 38.487 -0.600 0.000 0.968 156 N HN 0.529 nan 8.380 nan 0.000 0.445 157 F N -0.913 119.080 119.950 0.072 0.000 2.871 157 F HA 0.465 4.993 4.527 0.001 0.000 0.344 157 F C 0.354 176.206 175.800 0.086 0.000 1.078 157 F CA -0.507 57.519 58.000 0.044 0.000 1.149 157 F CB 0.513 39.504 39.000 -0.016 0.000 1.087 157 F HN -0.196 nan 8.300 nan 0.000 0.557 158 A N 0.175 123.174 122.820 0.299 0.000 2.343 158 A HA 0.558 4.878 4.320 0.001 0.000 0.316 158 A C -1.361 176.407 177.584 0.307 0.000 1.104 158 A CA -0.451 51.752 52.037 0.276 0.000 0.768 158 A CB 0.753 19.926 19.000 0.287 0.000 1.213 158 A HN -0.019 nan 8.150 nan 0.000 0.456 159 D N 2.279 122.808 120.400 0.215 0.000 2.411 159 D HA 0.317 4.958 4.640 0.001 0.000 0.225 159 D C 0.068 176.493 176.300 0.209 0.000 1.156 159 D CA -0.380 53.742 54.000 0.202 0.000 0.874 159 D CB -0.059 40.817 40.800 0.126 0.000 1.034 159 D HN 0.318 nan 8.370 nan 0.000 0.502 160 F N 1.583 121.547 119.950 0.024 0.000 2.451 160 F HA -0.081 4.447 4.527 0.001 0.000 0.299 160 F C 2.484 178.277 175.800 -0.012 0.000 1.101 160 F CA 0.559 58.566 58.000 0.012 0.000 1.436 160 F CB -0.019 38.989 39.000 0.012 0.000 1.074 160 F HN 0.320 nan 8.300 nan 0.000 0.553 161 S N -1.031 114.760 115.700 0.151 0.000 2.527 161 S HA -0.047 4.423 4.470 0.001 0.000 0.222 161 S C 0.561 175.142 174.600 -0.030 0.000 0.985 161 S CA 0.340 58.575 58.200 0.057 0.000 0.921 161 S CB -0.364 62.870 63.200 0.058 0.000 0.772 161 S HN 0.262 nan 8.310 nan 0.000 0.529 162 N N 0.539 119.209 118.700 -0.051 0.000 2.790 162 N HA 0.304 5.045 4.740 0.001 0.000 0.256 162 N C -1.558 173.811 175.510 -0.235 0.000 1.409 162 N CA -0.141 52.827 53.050 -0.136 0.000 0.799 162 N CB 1.067 39.566 38.487 0.020 0.000 1.170 162 N HN 0.133 nan 8.380 nan 0.000 0.507 163 C N 2.911 121.932 119.300 -0.465 0.000 2.417 163 C HA 0.676 5.136 4.460 0.001 0.000 0.324 163 C C -1.209 173.359 174.990 -0.704 0.000 1.240 163 C CA -0.606 58.181 59.018 -0.385 0.000 1.632 163 C CB -0.617 26.961 27.740 -0.270 0.000 2.241 163 C HN 0.485 nan 8.230 nan 0.000 0.499 164 F N 5.434 125.352 119.950 -0.053 0.000 2.495 164 F HA 0.620 5.148 4.527 0.001 0.000 0.327 164 F C 0.313 176.119 175.800 0.010 0.000 1.103 164 F CA -0.741 57.246 58.000 -0.022 0.000 0.949 164 F CB 1.237 40.294 39.000 0.095 0.000 1.142 164 F HN 0.341 nan 8.300 nan 0.000 0.457 165 I N 4.431 125.077 120.570 0.127 0.000 2.315 165 I HA 0.432 4.603 4.170 0.001 0.000 0.291 165 I C -0.344 175.916 176.117 0.240 0.000 1.006 165 I CA -0.240 61.167 61.300 0.180 0.000 1.265 165 I CB 1.284 39.360 38.000 0.126 0.000 1.387 165 I HN 0.605 nan 8.210 nan 0.000 0.475 166 M N 5.471 125.236 119.600 0.275 0.000 2.518 166 M HA 0.811 5.292 4.480 0.001 0.000 0.300 166 M C -1.004 175.368 176.300 0.121 0.000 1.175 166 M CA -0.279 55.167 55.300 0.244 0.000 0.890 166 M CB 2.616 35.427 32.600 0.351 0.000 1.710 166 M HN 0.649 nan 8.290 nan 0.000 0.453 167 G N 2.117 110.915 108.800 -0.004 0.000 2.742 167 G HA2 0.370 4.331 3.960 0.001 0.000 0.296 167 G HA3 0.370 4.331 3.960 0.001 0.000 0.296 167 G C -2.296 172.477 174.900 -0.212 0.000 1.436 167 G CA -0.452 44.499 45.100 -0.247 0.000 0.928 167 G HN 0.635 nan 8.290 nan 0.000 0.520 168 E N 1.306 121.319 120.200 -0.312 0.000 2.156 168 E HA 0.568 4.919 4.350 0.001 0.000 0.279 168 E C 0.743 177.221 176.600 -0.204 0.000 0.965 168 E CA 0.351 56.636 56.400 -0.192 0.000 0.789 168 E CB 1.580 31.227 29.700 -0.089 0.000 1.098 168 E HN 0.665 nan 8.360 nan 0.000 0.397 169 S N 3.256 118.861 115.700 -0.157 0.000 4.141 169 S HA -0.384 4.086 4.470 0.001 0.000 0.622 169 S C 1.410 175.816 174.600 -0.323 0.000 1.894 169 S CA 1.638 59.757 58.200 -0.134 0.000 4.238 169 S CB -1.585 61.596 63.200 -0.032 0.000 0.205 169 S HN 0.867 nan 8.310 nan 0.000 0.486 170 A N 1.028 123.538 122.820 -0.516 0.000 1.908 170 A HA 0.118 4.439 4.320 0.001 0.000 0.218 170 A C 2.526 179.738 177.584 -0.620 0.000 1.181 170 A CA 2.642 54.115 52.037 -0.940 0.000 0.627 170 A CB -1.621 16.391 19.000 -1.646 0.000 0.818 170 A HN 1.694 nan 8.150 nan 0.000 0.445 171 G N -0.774 107.731 108.800 -0.493 0.000 2.450 171 G HA2 0.002 3.963 3.960 0.001 0.000 0.220 171 G HA3 0.002 3.963 3.960 0.001 0.000 0.220 171 G C 1.436 176.184 174.900 -0.254 0.000 1.130 171 G CA 1.300 46.172 45.100 -0.381 0.000 0.760 171 G HN 0.722 nan 8.290 nan 0.000 0.557 172 G N 0.708 109.375 108.800 -0.222 0.000 2.394 172 G HA2 -0.243 3.718 3.960 0.001 0.000 0.215 172 G HA3 -0.243 3.718 3.960 0.001 0.000 0.215 172 G C 1.705 176.565 174.900 -0.067 0.000 1.165 172 G CA 1.012 46.041 45.100 -0.117 0.000 0.784 172 G HN 0.435 nan 8.290 nan 0.000 0.535 173 N N 1.203 119.808 118.700 -0.159 0.000 2.018 173 N HA -0.150 4.590 4.740 0.001 0.000 0.196 173 N C 2.331 178.032 175.510 0.319 0.000 1.043 173 N CA 1.623 54.725 53.050 0.086 0.000 0.856 173 N CB -0.381 38.260 38.487 0.256 0.000 1.042 173 N HN 0.359 nan 8.380 nan 0.000 0.423 174 I N 1.304 121.953 120.570 0.130 0.000 2.151 174 I HA -0.297 3.874 4.170 0.001 0.000 0.243 174 I C 2.476 178.440 176.117 -0.255 0.000 1.080 174 I CA 1.501 62.773 61.300 -0.046 0.000 1.339 174 I CB -0.371 37.303 38.000 -0.542 0.000 1.039 174 I HN 0.194 nan 8.210 nan 0.000 0.409 175 A N -0.277 122.404 122.820 -0.231 0.000 1.972 175 A HA -0.278 4.042 4.320 0.001 0.000 0.219 175 A C 2.275 179.890 177.584 0.051 0.000 1.169 175 A CA 1.705 53.686 52.037 -0.093 0.000 0.635 175 A CB -0.910 18.132 19.000 0.070 0.000 0.810 175 A HN 0.560 nan 8.150 nan 0.000 0.446 176 Y N 0.277 120.566 120.300 -0.018 0.000 2.153 176 Y HA -0.179 4.372 4.550 0.001 0.000 0.289 176 Y C 2.502 178.321 175.900 -0.134 0.000 1.127 176 Y CA 1.887 59.982 58.100 -0.009 0.000 1.131 176 Y CB -0.659 37.847 38.460 0.077 0.000 0.995 176 Y HN 0.497 nan 8.280 nan 0.000 0.505 177 H N -0.326 118.537 119.070 -0.344 0.000 2.321 177 H HA -0.092 4.465 4.556 0.001 0.000 0.300 177 H C 2.377 177.460 175.328 -0.408 0.000 1.087 177 H CA 1.322 57.001 56.048 -0.615 0.000 1.319 177 H CB -0.760 28.285 29.762 -1.195 0.000 1.379 177 H HN 0.477 nan 8.280 nan 0.000 0.501 178 A N 1.219 123.920 122.820 -0.198 0.000 1.903 178 A HA -0.200 4.120 4.320 0.001 0.000 0.219 178 A C 2.845 180.435 177.584 0.010 0.000 1.191 178 A CA 2.000 53.983 52.037 -0.091 0.000 0.638 178 A CB -1.341 17.583 19.000 -0.126 0.000 0.823 178 A HN 0.500 nan 8.150 nan 0.000 0.451 179 G N -0.372 108.448 108.800 0.035 0.000 2.421 179 G HA2 -0.171 3.790 3.960 0.001 0.000 0.216 179 G HA3 -0.171 3.790 3.960 0.001 0.000 0.216 179 G C 1.553 176.599 174.900 0.243 0.000 1.171 179 G CA 0.997 46.238 45.100 0.235 0.000 0.775 179 G HN 0.448 nan 8.290 nan 0.000 0.543 180 L N -0.388 120.825 121.223 -0.017 0.000 2.043 180 L HA -0.136 4.204 4.340 0.001 0.000 0.212 180 L C 3.173 180.039 176.870 -0.006 0.000 1.075 180 L CA 1.448 56.252 54.840 -0.061 0.000 0.752 180 L CB -0.352 41.574 42.059 -0.221 0.000 0.891 180 L HN 0.175 nan 8.230 nan 0.000 0.432 181 R N -0.519 119.983 120.500 0.003 0.000 2.093 181 R HA -0.021 4.320 4.340 0.001 0.000 0.224 181 R C 2.406 178.753 176.300 0.077 0.000 1.101 181 R CA 1.055 57.173 56.100 0.030 0.000 0.979 181 R CB -0.319 29.994 30.300 0.021 0.000 0.877 181 R HN 0.325 nan 8.270 nan 0.000 0.441 182 A N 0.915 123.820 122.820 0.142 0.000 2.015 182 A HA -0.031 4.290 4.320 0.001 0.000 0.219 182 A C 2.258 179.980 177.584 0.230 0.000 1.163 182 A CA 1.437 53.604 52.037 0.216 0.000 0.646 182 A CB -0.441 18.735 19.000 0.292 0.000 0.806 182 A HN 0.374 nan 8.150 nan 0.000 0.448 183 A N 0.088 122.992 122.820 0.139 0.000 1.902 183 A HA 0.172 4.492 4.320 0.001 0.000 0.217 183 A C 2.491 180.033 177.584 -0.070 0.000 1.181 183 A CA 1.910 53.861 52.037 -0.144 0.000 0.623 183 A CB -0.991 17.765 19.000 -0.407 0.000 0.818 183 A HN 1.016 nan 8.150 nan 0.000 0.443 184 A N -0.158 122.650 122.820 -0.019 0.000 1.908 184 A HA -0.038 4.283 4.320 0.001 0.000 0.218 184 A C 1.838 179.434 177.584 0.019 0.000 1.181 184 A CA 2.092 54.127 52.037 -0.004 0.000 0.627 184 A CB -1.012 17.992 19.000 0.008 0.000 0.818 184 A HN 1.223 nan 8.150 nan 0.000 0.445 185 V N -3.961 115.982 119.914 0.049 0.000 3.099 185 V HA 0.658 4.779 4.120 0.001 0.000 0.356 185 V C 1.559 177.703 176.094 0.083 0.000 1.364 185 V CA 0.232 62.569 62.300 0.062 0.000 1.229 185 V CB -0.864 31.001 31.823 0.071 0.000 1.227 185 V HN 0.480 nan 8.190 nan 0.000 0.493 186 A N 1.375 124.247 122.820 0.087 0.000 1.940 186 A HA -0.258 4.063 4.320 0.001 0.000 0.219 186 A C 1.880 179.526 177.584 0.104 0.000 1.176 186 A CA 2.250 54.364 52.037 0.129 0.000 0.631 186 A CB -0.665 18.420 19.000 0.141 0.000 0.814 186 A HN 0.748 nan 8.150 nan 0.000 0.446 187 D N -0.481 119.962 120.400 0.072 0.000 2.218 187 D HA -0.167 4.474 4.640 0.001 0.000 0.204 187 D C 1.668 178.006 176.300 0.063 0.000 0.976 187 D CA 1.576 55.612 54.000 0.060 0.000 0.853 187 D CB -0.193 40.633 40.800 0.042 0.000 0.939 187 D HN 0.624 nan 8.370 nan 0.000 0.481 188 E N -0.768 119.473 120.200 0.068 0.000 2.427 188 E HA 0.032 4.383 4.350 0.001 0.000 0.196 188 E C 1.827 178.476 176.600 0.082 0.000 1.028 188 E CA 0.160 56.600 56.400 0.068 0.000 0.864 188 E CB 0.167 29.906 29.700 0.065 0.000 0.813 188 E HN 0.428 nan 8.360 nan 0.000 0.514 189 L N 0.606 121.888 121.223 0.097 0.000 2.375 189 L HA 0.069 4.409 4.340 0.001 0.000 0.215 189 L C 0.633 177.571 176.870 0.114 0.000 1.108 189 L CA -0.098 54.810 54.840 0.112 0.000 0.830 189 L CB -0.097 42.037 42.059 0.125 0.000 0.959 189 L HN 0.068 nan 8.230 nan 0.000 0.457 190 L N 2.079 123.360 121.223 0.097 0.000 2.559 190 L HA -0.026 4.314 4.340 0.001 0.000 0.282 190 L C -0.887 176.033 176.870 0.084 0.000 1.232 190 L CA -0.865 54.030 54.840 0.092 0.000 0.885 190 L CB -0.137 41.963 42.059 0.068 0.000 1.131 190 L HN -0.040 nan 8.230 nan 0.000 0.498 191 P HA -0.047 nan 4.420 nan 0.000 0.233 191 P C 0.220 177.644 177.300 0.208 0.000 1.167 191 P CA 0.197 63.360 63.100 0.104 0.000 0.770 191 P CB 0.239 31.946 31.700 0.012 0.000 0.837 192 L N 1.112 122.490 121.223 0.259 0.000 2.477 192 L HA 0.090 4.431 4.340 0.001 0.000 0.272 192 L C 0.162 177.093 176.870 0.101 0.000 1.157 192 L CA 0.611 55.572 54.840 0.201 0.000 0.889 192 L CB -0.178 41.965 42.059 0.141 0.000 1.158 192 L HN -0.182 nan 8.230 nan 0.000 0.473 193 K N 6.643 127.073 120.400 0.049 0.000 2.521 193 K HA 0.438 4.758 4.320 0.001 0.000 0.248 193 K C -0.769 175.766 176.600 -0.109 0.000 0.978 193 K CA -0.360 55.937 56.287 0.017 0.000 0.947 193 K CB 1.112 33.629 32.500 0.028 0.000 1.165 193 K HN 0.505 nan 8.250 nan 0.000 0.445 194 I N 3.337 123.826 120.570 -0.135 0.000 2.556 194 I HA -0.020 4.151 4.170 0.001 0.000 0.284 194 I C 1.120 176.884 176.117 -0.588 0.000 1.114 194 I CA 0.172 61.198 61.300 -0.456 0.000 1.418 194 I CB 0.606 38.235 38.000 -0.620 0.000 1.394 194 I HN 0.479 nan 8.210 nan 0.000 0.552 195 K N 4.273 124.195 120.400 -0.798 0.000 2.380 195 K HA 0.362 4.682 4.320 0.001 0.000 0.198 195 K C 0.374 176.677 176.600 -0.495 0.000 1.070 195 K CA 0.013 55.948 56.287 -0.587 0.000 1.040 195 K CB 1.431 33.579 32.500 -0.586 0.000 0.903 195 K HN 0.866 nan 8.250 nan 0.000 0.549 196 G N 0.620 109.040 108.800 -0.635 0.000 2.466 196 G HA2 0.445 4.406 3.960 0.001 0.000 0.291 196 G HA3 0.445 4.406 3.960 0.001 0.000 0.291 196 G C -1.826 173.143 174.900 0.115 0.000 1.460 196 G CA -0.872 44.232 45.100 0.006 0.000 0.791 196 G HN -0.036 nan 8.290 nan 0.000 0.505 197 L N -0.096 121.306 121.223 0.299 0.000 2.346 197 L HA 0.774 5.115 4.340 0.001 0.000 0.274 197 L C -0.535 176.484 176.870 0.247 0.000 1.007 197 L CA -1.298 53.691 54.840 0.249 0.000 0.818 197 L CB 2.253 44.449 42.059 0.228 0.000 1.284 197 L HN 0.292 nan 8.230 nan 0.000 0.424 198 V N 4.153 124.172 119.914 0.176 0.000 2.380 198 V HA 0.376 4.496 4.120 0.001 0.000 0.286 198 V C -0.187 175.954 176.094 0.078 0.000 1.015 198 V CA -0.308 62.019 62.300 0.045 0.000 0.834 198 V CB 1.690 33.551 31.823 0.064 0.000 1.009 198 V HN 0.516 nan 8.190 nan 0.000 0.428 199 L N 3.901 125.143 121.223 0.032 0.000 2.283 199 L HA 0.516 4.856 4.340 0.001 0.000 0.281 199 L C -0.394 176.463 176.870 -0.022 0.000 1.033 199 L CA -0.321 54.539 54.840 0.033 0.000 0.848 199 L CB 1.215 43.318 42.059 0.072 0.000 1.226 199 L HN 0.549 nan 8.230 nan 0.000 0.429 200 D N 4.547 124.911 120.400 -0.060 0.000 2.428 200 D HA 0.156 4.797 4.640 0.001 0.000 0.221 200 D C 0.038 176.244 176.300 -0.157 0.000 1.123 200 D CA -0.185 53.714 54.000 -0.169 0.000 0.869 200 D CB 0.516 41.173 40.800 -0.239 0.000 1.032 200 D HN 0.526 nan 8.370 nan 0.000 0.506 201 E N 2.270 122.408 120.200 -0.104 0.000 2.246 201 E HA -0.183 4.168 4.350 0.001 0.000 0.173 201 E C -2.138 174.464 176.600 0.003 0.000 1.532 201 E CA 0.013 56.404 56.400 -0.015 0.000 0.672 201 E CB -1.290 28.351 29.700 -0.098 0.000 1.078 201 E HN 0.451 nan 8.360 nan 0.000 0.338 202 P HA 0.085 nan 4.420 nan 0.000 0.271 202 P C 0.488 177.585 177.300 -0.340 0.000 1.218 202 P CA 0.113 63.099 63.100 -0.191 0.000 0.780 202 P CB 0.910 32.549 31.700 -0.102 0.000 0.901 203 G N 2.196 110.719 108.800 -0.462 0.000 2.327 203 G HA2 0.529 4.490 3.960 0.001 0.000 0.302 203 G HA3 0.529 4.490 3.960 0.001 0.000 0.302 203 G C -1.264 173.551 174.900 -0.143 0.000 1.113 203 G CA -0.113 44.849 45.100 -0.229 0.000 0.921 203 G HN 0.266 nan 8.290 nan 0.000 0.425 204 F N 0.645 120.875 119.950 0.468 0.000 2.613 204 F HA 0.832 5.359 4.527 0.001 0.000 0.314 204 F C 0.607 176.553 175.800 0.242 0.000 1.075 204 F CA -0.651 57.569 58.000 0.366 0.000 0.945 204 F CB 2.525 41.626 39.000 0.167 0.000 1.310 204 F HN 0.767 nan 8.300 nan 0.000 0.467 205 G N -0.674 108.177 108.800 0.085 0.000 2.782 205 G HA2 0.720 4.680 3.960 0.001 0.000 0.304 205 G HA3 0.720 4.680 3.960 0.001 0.000 0.304 205 G C -1.183 173.586 174.900 -0.219 0.000 1.315 205 G CA -0.395 44.604 45.100 -0.169 0.000 0.791 205 G HN 1.127 nan 8.290 nan 0.000 0.519 206 G N -1.791 106.887 108.800 -0.204 0.000 2.368 206 G HA2 0.558 4.518 3.960 0.001 0.000 0.293 206 G HA3 0.558 4.518 3.960 0.001 0.000 0.293 206 G C 0.668 175.514 174.900 -0.090 0.000 1.467 206 G CA 0.921 45.937 45.100 -0.141 0.000 0.804 206 G HN 1.377 nan 8.290 nan 0.000 0.535 207 S N -0.433 115.227 115.700 -0.067 0.000 2.357 207 S HA -0.002 4.469 4.470 0.001 0.000 0.221 207 S C 0.920 175.507 174.600 -0.021 0.000 1.031 207 S CA 0.946 59.124 58.200 -0.037 0.000 0.982 207 S CB -0.301 62.881 63.200 -0.031 0.000 0.853 207 S HN 0.601 nan 8.310 nan 0.000 0.458 208 K N 2.334 122.720 120.400 -0.023 0.000 2.322 208 K HA 0.285 4.605 4.320 0.001 0.000 0.283 208 K C -0.073 176.522 176.600 -0.010 0.000 1.042 208 K CA -0.409 55.869 56.287 -0.014 0.000 0.958 208 K CB 0.421 32.911 32.500 -0.017 0.000 0.984 208 K HN 0.074 nan 8.250 nan 0.000 0.473 209 R N 1.496 121.996 120.500 -0.000 0.000 2.643 209 R HA 0.085 4.425 4.340 0.001 0.000 0.270 209 R C 0.477 176.777 176.300 -0.000 0.000 1.061 209 R CA -0.182 55.921 56.100 0.005 0.000 1.107 209 R CB -0.251 30.056 30.300 0.012 0.000 0.999 209 R HN 0.890 nan 8.270 nan 0.000 0.460 210 T N -2.461 112.094 114.554 0.001 0.000 2.884 210 T HA 0.356 4.707 4.350 0.001 0.000 0.277 210 T C 1.579 176.277 174.700 -0.004 0.000 0.976 210 T CA -0.328 61.769 62.100 -0.005 0.000 0.956 210 T CB 1.289 70.153 68.868 -0.006 0.000 1.113 210 T HN 0.477 nan 8.240 nan 0.000 0.554 211 G N 0.635 109.431 108.800 -0.008 0.000 2.433 211 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 211 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 211 G C 1.828 176.720 174.900 -0.013 0.000 1.186 211 G CA 1.176 46.273 45.100 -0.005 0.000 0.779 211 G HN 0.936 nan 8.290 nan 0.000 0.543 212 S N 0.794 116.477 115.700 -0.028 0.000 2.370 212 S HA -0.128 4.343 4.470 0.001 0.000 0.226 212 S C 1.972 176.556 174.600 -0.026 0.000 1.033 212 S CA 1.717 59.886 58.200 -0.052 0.000 1.011 212 S CB -0.442 62.713 63.200 -0.075 0.000 0.852 212 S HN 0.549 nan 8.310 nan 0.000 0.457 213 E N 1.213 121.410 120.200 -0.006 0.000 2.085 213 E HA -0.070 4.280 4.350 0.001 0.000 0.194 213 E C 2.027 178.632 176.600 0.008 0.000 0.994 213 E CA 1.464 57.869 56.400 0.010 0.000 0.801 213 E CB -0.350 29.364 29.700 0.023 0.000 0.743 213 E HN 0.533 nan 8.360 nan 0.000 0.453 214 L N -0.081 121.145 121.223 0.005 0.000 2.095 214 L HA -0.060 4.281 4.340 0.001 0.000 0.204 214 L C 2.625 179.499 176.870 0.006 0.000 1.080 214 L CA 0.796 55.641 54.840 0.008 0.000 0.759 214 L CB -0.257 41.807 42.059 0.008 0.000 0.914 214 L HN 0.015 nan 8.230 nan 0.000 0.439 215 R N 0.709 121.208 120.500 -0.001 0.000 2.096 215 R HA -0.139 4.201 4.340 0.001 0.000 0.235 215 R C 1.784 178.083 176.300 -0.003 0.000 1.127 215 R CA 1.495 57.594 56.100 -0.002 0.000 0.968 215 R CB -0.083 30.207 30.300 -0.016 0.000 0.861 215 R HN 0.308 nan 8.270 nan 0.000 0.440 216 L N 0.211 121.428 121.223 -0.011 0.000 2.667 216 L HA 0.289 4.629 4.340 0.001 0.000 0.232 216 L C 1.986 178.861 176.870 0.008 0.000 1.138 216 L CA 0.119 54.956 54.840 -0.005 0.000 0.921 216 L CB 0.470 42.517 42.059 -0.021 0.000 1.180 216 L HN 0.230 nan 8.230 nan 0.000 0.487 217 A N 0.588 123.416 122.820 0.012 0.000 2.009 217 A HA -0.259 4.062 4.320 0.001 0.000 0.222 217 A C 1.508 179.109 177.584 0.029 0.000 1.175 217 A CA 2.076 54.125 52.037 0.020 0.000 0.651 217 A CB -0.600 18.415 19.000 0.026 0.000 0.815 217 A HN 0.568 nan 8.150 nan 0.000 0.459 218 N N -0.316 118.405 118.700 0.035 0.000 2.380 218 N HA 0.232 4.973 4.740 0.001 0.000 0.255 218 N C -0.536 175.010 175.510 0.060 0.000 1.158 218 N CA -0.199 52.883 53.050 0.054 0.000 0.878 218 N CB 0.101 38.623 38.487 0.059 0.000 1.138 218 N HN 0.549 nan 8.380 nan 0.000 0.509 219 D N -0.455 119.967 120.400 0.037 0.000 2.474 219 D HA -0.099 4.541 4.640 0.001 0.000 0.232 219 D C 1.170 177.525 176.300 0.092 0.000 1.177 219 D CA 0.544 54.571 54.000 0.045 0.000 0.876 219 D CB 0.685 41.498 40.800 0.022 0.000 1.208 219 D HN 0.239 nan 8.370 nan 0.000 0.464 220 S N 2.305 118.066 115.700 0.102 0.000 2.575 220 S HA 0.128 4.599 4.470 0.001 0.000 0.215 220 S C 1.370 176.102 174.600 0.219 0.000 0.966 220 S CA 0.086 58.388 58.200 0.170 0.000 0.911 220 S CB 0.290 63.528 63.200 0.063 0.000 0.780 220 S HN 0.486 nan 8.310 nan 0.000 0.514 221 R N -0.083 120.507 120.500 0.150 0.000 2.196 221 R HA 0.484 4.824 4.340 0.001 0.000 0.186 221 R C 0.252 176.599 176.300 0.078 0.000 1.163 221 R CA 0.268 56.457 56.100 0.148 0.000 1.146 221 R CB 0.075 30.434 30.300 0.100 0.000 1.113 221 R HN 0.267 nan 8.270 nan 0.000 0.513 222 L N 3.936 125.151 121.223 -0.013 0.000 2.828 222 L HA 0.373 4.713 4.340 0.001 0.000 0.233 222 L C -2.236 174.538 176.870 -0.159 0.000 1.250 222 L CA -1.806 52.960 54.840 -0.124 0.000 1.125 222 L CB 0.624 42.598 42.059 -0.142 0.000 1.432 222 L HN -0.010 nan 8.230 nan 0.000 0.444 223 P HA 0.073 nan 4.420 nan 0.000 0.272 223 P C 0.903 178.094 177.300 -0.183 0.000 1.240 223 P CA -0.150 62.831 63.100 -0.198 0.000 0.791 223 P CB 0.731 32.282 31.700 -0.248 0.000 0.978 224 T N 0.258 114.791 114.554 -0.035 0.000 2.721 224 T HA -0.243 4.108 4.350 0.001 0.000 0.268 224 T C 1.491 176.206 174.700 0.025 0.000 1.038 224 T CA 2.235 64.346 62.100 0.019 0.000 1.145 224 T CB -1.139 67.770 68.868 0.068 0.000 0.858 224 T HN 0.607 nan 8.240 nan 0.000 0.459 225 F N 1.179 121.075 119.950 -0.090 0.000 2.234 225 F HA 0.200 4.728 4.527 0.001 0.000 0.296 225 F C 2.137 177.898 175.800 -0.064 0.000 1.089 225 F CA -0.013 57.948 58.000 -0.064 0.000 1.343 225 F CB -0.949 38.010 39.000 -0.069 0.000 1.040 225 F HN -0.080 nan 8.300 nan 0.000 0.498 226 V N 1.563 120.855 119.914 -1.037 0.000 2.515 226 V HA -0.242 3.878 4.120 0.001 0.000 0.250 226 V C 2.453 178.332 176.094 -0.359 0.000 1.058 226 V CA 1.780 63.585 62.300 -0.824 0.000 1.064 226 V CB -0.518 30.768 31.823 -0.896 0.000 0.675 226 V HN 0.472 nan 8.190 nan 0.000 0.461 227 L N -0.839 120.242 121.223 -0.238 0.000 2.127 227 L HA -0.061 4.280 4.340 0.001 0.000 0.203 227 L C 2.350 179.267 176.870 0.079 0.000 1.080 227 L CA 1.057 55.845 54.840 -0.086 0.000 0.768 227 L CB -0.665 41.402 42.059 0.015 0.000 0.924 227 L HN 0.273 nan 8.230 nan 0.000 0.444 228 D N 0.410 120.871 120.400 0.101 0.000 2.103 228 D HA -0.238 4.402 4.640 0.001 0.000 0.190 228 D C 2.038 178.410 176.300 0.120 0.000 0.997 228 D CA 1.326 55.422 54.000 0.159 0.000 0.833 228 D CB -0.343 40.532 40.800 0.124 0.000 0.961 228 D HN 0.073 nan 8.370 nan 0.000 0.447 229 L N 1.035 122.280 121.223 0.036 0.000 1.978 229 L HA -0.206 4.135 4.340 0.001 0.000 0.218 229 L C 2.290 179.150 176.870 -0.016 0.000 1.075 229 L CA 1.513 56.361 54.840 0.013 0.000 0.767 229 L CB -0.821 41.222 42.059 -0.026 0.000 0.890 229 L HN 0.073 nan 8.230 nan 0.000 0.434 230 I N -1.641 118.868 120.570 -0.102 0.000 2.087 230 I HA -0.404 3.766 4.170 0.001 0.000 0.240 230 I C 2.281 178.287 176.117 -0.185 0.000 1.054 230 I CA 2.416 63.596 61.300 -0.200 0.000 1.311 230 I CB -0.545 37.226 38.000 -0.381 0.000 1.024 230 I HN 0.387 nan 8.210 nan 0.000 0.402 231 W N 0.571 121.901 121.300 0.051 0.000 2.392 231 W HA -0.198 4.462 4.660 0.001 0.000 0.279 231 W C 2.593 179.103 176.519 -0.015 0.000 1.225 231 W CA 0.779 58.137 57.345 0.022 0.000 1.233 231 W CB -0.176 29.306 29.460 0.037 0.000 1.122 231 W HN 0.191 nan 8.180 nan 0.000 0.561 232 E N 1.048 121.362 120.200 0.191 0.000 2.046 232 E HA -0.163 4.188 4.350 0.001 0.000 0.190 232 E C 1.802 178.434 176.600 0.053 0.000 0.982 232 E CA 1.502 57.967 56.400 0.108 0.000 0.800 232 E CB -0.786 28.966 29.700 0.086 0.000 0.756 232 E HN 0.279 nan 8.360 nan 0.000 0.449 233 L N 0.178 121.418 121.223 0.028 0.000 2.362 233 L HA -0.026 4.314 4.340 0.001 0.000 0.219 233 L C 2.114 178.967 176.870 -0.027 0.000 1.134 233 L CA 1.043 55.882 54.840 -0.001 0.000 0.807 233 L CB -0.129 41.928 42.059 -0.005 0.000 0.927 233 L HN 0.080 nan 8.230 nan 0.000 0.447 234 S N -1.105 114.573 115.700 -0.037 0.000 2.506 234 S HA 0.233 4.703 4.470 0.001 0.000 0.230 234 S C 0.838 175.348 174.600 -0.150 0.000 1.066 234 S CA -0.280 57.831 58.200 -0.148 0.000 0.940 234 S CB 0.274 63.286 63.200 -0.313 0.000 0.818 234 S HN 0.072 nan 8.310 nan 0.000 0.518 235 L N 2.960 124.167 121.223 -0.027 0.000 2.439 235 L HA 0.246 4.587 4.340 0.001 0.000 0.269 235 L C -2.376 174.439 176.870 -0.091 0.000 1.179 235 L CA -2.050 52.757 54.840 -0.055 0.000 0.828 235 L CB 0.003 42.063 42.059 0.003 0.000 1.106 235 L HN 0.012 nan 8.230 nan 0.000 0.467 236 P HA -0.055 nan 4.420 nan 0.000 0.269 236 P C -0.364 176.902 177.300 -0.055 0.000 1.211 236 P CA 0.215 63.265 63.100 -0.083 0.000 0.781 236 P CB 0.383 32.029 31.700 -0.091 0.000 0.877 237 M N 1.558 121.141 119.600 -0.028 0.000 2.238 237 M HA 0.150 4.631 4.480 0.001 0.000 0.350 237 M C 1.484 177.780 176.300 -0.005 0.000 1.321 237 M CA 1.492 56.784 55.300 -0.014 0.000 1.097 237 M CB -0.471 32.123 32.600 -0.010 0.000 1.713 237 M HN 0.817 nan 8.290 nan 0.000 0.455 238 G N 1.780 110.581 108.800 0.001 0.000 2.258 238 G HA2 -0.202 3.758 3.960 0.001 0.000 0.233 238 G HA3 -0.202 3.758 3.960 0.001 0.000 0.233 238 G C 0.227 175.135 174.900 0.014 0.000 1.006 238 G CA -0.050 45.054 45.100 0.008 0.000 0.620 238 G HN 0.995 nan 8.290 nan 0.000 0.511 239 A N 0.833 123.659 122.820 0.010 0.000 2.386 239 A HA 0.565 4.886 4.320 0.001 0.000 0.248 239 A C 0.521 178.122 177.584 0.027 0.000 1.082 239 A CA 0.903 52.959 52.037 0.032 0.000 0.789 239 A CB 0.195 19.183 19.000 -0.021 0.000 1.025 239 A HN 0.967 nan 8.150 nan 0.000 0.490 240 D N -0.322 120.098 120.400 0.034 0.000 2.487 240 D HA 0.337 4.977 4.640 0.001 0.000 0.262 240 D C 0.587 176.879 176.300 -0.014 0.000 1.130 240 D CA -0.730 53.276 54.000 0.011 0.000 1.038 240 D CB 0.475 41.274 40.800 -0.002 0.000 1.142 240 D HN 0.409 nan 8.370 nan 0.000 0.575 241 R N -0.927 119.539 120.500 -0.057 0.000 2.316 241 R HA 0.015 4.356 4.340 0.001 0.000 0.202 241 R C -0.013 176.188 176.300 -0.166 0.000 1.029 241 R CA 0.472 56.471 56.100 -0.168 0.000 1.018 241 R CB -0.025 30.161 30.300 -0.190 0.000 0.888 241 R HN 0.413 nan 8.270 nan 0.000 0.471 242 D N -0.602 119.747 120.400 -0.085 0.000 2.328 242 D HA -0.032 4.609 4.640 0.001 0.000 0.221 242 D C 0.000 176.262 176.300 -0.064 0.000 1.072 242 D CA 0.238 54.192 54.000 -0.077 0.000 0.850 242 D CB -0.197 40.563 40.800 -0.068 0.000 0.922 242 D HN 0.231 nan 8.370 nan 0.000 0.516 243 H N 0.975 119.962 119.070 -0.138 0.000 3.064 243 H HA -0.047 4.509 4.556 0.001 0.000 0.329 243 H C 1.599 176.852 175.328 -0.125 0.000 1.020 243 H CA 0.431 56.383 56.048 -0.161 0.000 1.402 243 H CB 0.852 30.502 29.762 -0.186 0.000 1.379 243 H HN 0.091 nan 8.280 nan 0.000 0.594 244 E N 3.294 123.352 120.200 -0.236 0.000 2.219 244 E HA -0.299 4.052 4.350 0.001 0.000 0.198 244 E C 0.932 177.737 176.600 0.342 0.000 0.998 244 E CA 1.655 58.063 56.400 0.013 0.000 0.818 244 E CB -0.348 29.310 29.700 -0.070 0.000 0.741 244 E HN 0.826 nan 8.360 nan 0.000 0.477 245 Y N -0.320 120.200 120.300 0.367 0.000 2.373 245 Y HA -0.136 4.414 4.550 0.001 0.000 0.293 245 Y C 2.607 178.683 175.900 0.294 0.000 1.129 245 Y CA 0.244 58.490 58.100 0.242 0.000 1.226 245 Y CB -0.048 38.507 38.460 0.159 0.000 1.000 245 Y HN 0.326 nan 8.280 nan 0.000 0.549 246 C N 0.163 119.603 119.300 0.233 0.000 2.564 246 C HA 0.058 4.519 4.460 0.001 0.000 0.281 246 C C 0.985 175.979 174.990 0.006 0.000 1.314 246 C CA 0.438 59.309 59.018 -0.245 0.000 1.706 246 C CB -0.710 26.669 27.740 -0.601 0.000 2.109 246 C HN 0.320 nan 8.230 nan 0.000 0.502 247 N N 0.261 118.976 118.700 0.025 0.000 2.564 247 N HA 0.320 5.061 4.740 0.001 0.000 0.248 247 N C -2.006 173.507 175.510 0.005 0.000 0.986 247 N CA -1.475 51.563 53.050 -0.021 0.000 0.921 247 N CB 1.638 40.083 38.487 -0.070 0.000 1.136 247 N HN 0.306 nan 8.380 nan 0.000 0.509 248 P HA 0.044 nan 4.420 nan 0.000 0.236 248 P C -0.052 177.216 177.300 -0.054 0.000 1.177 248 P CA 0.686 63.770 63.100 -0.027 0.000 0.773 248 P CB 0.399 31.977 31.700 -0.204 0.000 0.878 255 L N -0.592 120.410 121.223 -0.368 0.000 4.040 255 L HA -0.270 4.070 4.340 0.001 0.000 0.410 255 L C 0.853 177.401 176.870 -0.538 0.000 1.187 255 L CA 0.356 54.770 54.840 -0.709 0.000 0.956 255 L CB -2.147 39.291 42.059 -1.036 0.000 2.022 255 L HN 0.282 nan 8.230 nan 0.000 0.897 256 Y N -0.615 119.553 120.300 -0.220 0.000 2.403 256 Y HA -0.197 4.354 4.550 0.001 0.000 0.291 256 Y C 2.530 178.378 175.900 -0.086 0.000 1.143 256 Y CA 1.550 59.578 58.100 -0.119 0.000 1.257 256 Y CB -0.155 38.253 38.460 -0.087 0.000 0.984 256 Y HN 0.283 nan 8.280 nan 0.000 0.550 257 S N -0.524 115.180 115.700 0.006 0.000 2.419 257 S HA -0.117 4.353 4.470 0.001 0.000 0.233 257 S C 1.523 176.255 174.600 0.220 0.000 1.016 257 S CA 0.851 59.089 58.200 0.062 0.000 0.974 257 S CB -0.356 62.870 63.200 0.043 0.000 0.786 257 S HN 0.363 nan 8.310 nan 0.000 0.492 258 F N 1.960 121.892 119.950 -0.031 0.000 2.325 258 F HA 0.050 4.577 4.527 0.001 0.000 0.299 258 F C 1.991 177.758 175.800 -0.055 0.000 1.090 258 F CA -0.059 57.922 58.000 -0.031 0.000 1.392 258 F CB -1.176 37.816 39.000 -0.014 0.000 1.053 258 F HN 0.148 nan 8.300 nan 0.000 0.521 259 D N 0.297 120.770 120.400 0.123 0.000 2.144 259 D HA -0.160 4.481 4.640 0.001 0.000 0.199 259 D C 2.221 178.517 176.300 -0.007 0.000 0.984 259 D CA 1.097 55.124 54.000 0.046 0.000 0.834 259 D CB -0.140 40.683 40.800 0.039 0.000 0.955 259 D HN 0.075 nan 8.370 nan 0.000 0.465 260 K N 0.704 121.085 120.400 -0.033 0.000 2.103 260 K HA 0.044 4.364 4.320 0.001 0.000 0.204 260 K C 2.038 178.468 176.600 -0.284 0.000 1.052 260 K CA 0.559 56.768 56.287 -0.129 0.000 0.945 260 K CB -0.379 32.044 32.500 -0.128 0.000 0.722 260 K HN 0.131 nan 8.250 nan 0.000 0.443 261 I N -0.011 120.390 120.570 -0.282 0.000 2.163 261 I HA -0.243 3.928 4.170 0.001 0.000 0.240 261 I C 2.552 178.541 176.117 -0.213 0.000 1.081 261 I CA 1.060 62.104 61.300 -0.427 0.000 1.353 261 I CB -0.279 37.610 38.000 -0.185 0.000 1.054 261 I HN 0.211 nan 8.210 nan 0.000 0.407 262 R N 0.588 121.047 120.500 -0.069 0.000 2.136 262 R HA -0.277 4.064 4.340 0.001 0.000 0.242 262 R C 2.510 178.786 176.300 -0.041 0.000 1.131 262 R CA 2.465 58.554 56.100 -0.018 0.000 0.937 262 R CB -0.455 29.855 30.300 0.017 0.000 0.863 262 R HN 0.232 nan 8.270 nan 0.000 0.435 263 S N -0.052 115.605 115.700 -0.071 0.000 2.382 263 S HA -0.054 4.416 4.470 0.001 0.000 0.228 263 S C 1.906 176.466 174.600 -0.067 0.000 1.027 263 S CA 1.055 59.220 58.200 -0.057 0.000 0.991 263 S CB -0.126 63.041 63.200 -0.055 0.000 0.823 263 S HN 0.397 nan 8.310 nan 0.000 0.469 264 L N 0.503 121.633 121.223 -0.156 0.000 2.395 264 L HA 0.179 4.520 4.340 0.001 0.000 0.218 264 L C 1.691 178.594 176.870 0.055 0.000 1.130 264 L CA 0.547 55.317 54.840 -0.118 0.000 0.826 264 L CB -0.599 41.233 42.059 -0.379 0.000 0.941 264 L HN 0.574 nan 8.230 nan 0.000 0.451 265 G N -1.345 107.488 108.800 0.054 0.000 2.171 265 G HA2 -0.233 3.727 3.960 0.001 0.000 0.238 265 G HA3 -0.233 3.727 3.960 0.001 0.000 0.238 265 G C -0.382 174.687 174.900 0.282 0.000 1.039 265 G CA -0.580 44.604 45.100 0.141 0.000 0.759 265 G HN 0.132 nan 8.290 nan 0.000 0.501 266 W N 0.975 122.293 121.300 0.029 0.000 2.238 266 W HA 0.621 5.282 4.660 0.001 0.000 0.321 266 W C 1.080 177.648 176.519 0.082 0.000 1.293 266 W CA -0.994 56.380 57.345 0.049 0.000 1.204 266 W CB 0.379 29.874 29.460 0.060 0.000 1.167 266 W HN 0.203 nan 8.180 nan 0.000 0.553 267 R N 1.637 122.318 120.500 0.302 0.000 2.486 267 R HA 0.649 4.989 4.340 0.001 0.000 0.286 267 R C -1.022 175.565 176.300 0.480 0.000 0.999 267 R CA -1.047 55.237 56.100 0.307 0.000 0.993 267 R CB 1.355 31.743 30.300 0.147 0.000 1.084 267 R HN 0.125 nan 8.270 nan 0.000 0.487 268 V N 3.628 123.785 119.914 0.405 0.000 2.444 268 V HA 0.309 4.430 4.120 0.001 0.000 0.294 268 V C -0.211 175.982 176.094 0.164 0.000 1.022 268 V CA -0.674 61.806 62.300 0.302 0.000 0.850 268 V CB 1.693 33.617 31.823 0.168 0.000 0.992 268 V HN 0.711 nan 8.190 nan 0.000 0.426 269 M N 5.771 125.307 119.600 -0.107 0.000 2.180 269 M HA 0.633 5.114 4.480 0.001 0.000 0.350 269 M C -1.422 174.780 176.300 -0.162 0.000 1.125 269 M CA -0.395 54.711 55.300 -0.322 0.000 1.031 269 M CB 1.384 33.447 32.600 -0.895 0.000 1.623 269 M HN 0.480 nan 8.290 nan 0.000 0.451 270 V N 5.963 125.794 119.914 -0.138 0.000 2.495 270 V HA 0.648 4.769 4.120 0.001 0.000 0.298 270 V C -0.447 175.442 176.094 -0.342 0.000 1.031 270 V CA -0.814 61.422 62.300 -0.106 0.000 0.871 270 V CB 1.442 33.313 31.823 0.080 0.000 0.988 270 V HN 0.706 nan 8.190 nan 0.000 0.432 271 V N 2.082 121.826 119.914 -0.284 0.000 2.823 271 V HA 1.129 5.250 4.120 0.001 0.000 0.312 271 V C -0.075 175.901 176.094 -0.197 0.000 1.072 271 V CA 0.303 62.347 62.300 -0.426 0.000 0.937 271 V CB 1.633 33.287 31.823 -0.282 0.000 1.013 271 V HN 1.200 nan 8.190 nan 0.000 0.430 272 G N 1.836 110.567 108.800 -0.115 0.000 2.606 272 G HA2 0.726 4.687 3.960 0.001 0.000 0.300 272 G HA3 0.726 4.687 3.960 0.001 0.000 0.300 272 G C -0.833 174.187 174.900 0.200 0.000 1.360 272 G CA -0.088 45.117 45.100 0.175 0.000 0.783 272 G HN 1.978 nan 8.290 nan 0.000 0.484 273 C N -2.567 116.827 119.300 0.157 0.000 3.080 273 C HA 0.779 5.240 4.460 0.001 0.000 0.307 273 C C 1.178 176.264 174.990 0.160 0.000 1.311 273 C CA -0.613 58.485 59.018 0.134 0.000 1.533 273 C CB 1.005 28.760 27.740 0.025 0.000 1.970 273 C HN 1.042 nan 8.230 nan 0.000 0.467 274 H N 0.813 119.926 119.070 0.072 0.000 2.428 274 H HA 0.162 4.719 4.556 0.001 0.000 0.296 274 H C 1.890 177.255 175.328 0.061 0.000 1.062 274 H CA 1.967 58.050 56.048 0.058 0.000 1.350 274 H CB -0.177 29.614 29.762 0.047 0.000 1.403 274 H HN 0.932 nan 8.280 nan 0.000 0.533 275 G N -0.172 108.660 108.800 0.053 0.000 3.332 275 G HA2 -0.023 3.938 3.960 0.001 0.000 0.242 275 G HA3 -0.023 3.938 3.960 0.001 0.000 0.242 275 G C -0.485 174.457 174.900 0.070 0.000 1.276 275 G CA 0.049 45.172 45.100 0.038 0.000 0.988 275 G HN 0.345 nan 8.290 nan 0.000 0.517 276 D N -0.272 120.156 120.400 0.046 0.000 2.425 276 D HA 0.318 4.958 4.640 0.001 0.000 0.240 276 D C -1.734 174.584 176.300 0.031 0.000 1.080 276 D CA -2.293 51.761 54.000 0.090 0.000 0.836 276 D CB 2.443 43.334 40.800 0.151 0.000 1.125 276 D HN -0.135 nan 8.370 nan 0.000 0.525 277 P HA -0.080 nan 4.420 nan 0.000 0.220 277 P C 1.357 178.675 177.300 0.030 0.000 1.144 277 P CA 1.204 64.307 63.100 0.005 0.000 0.800 277 P CB 0.125 31.828 31.700 0.005 0.000 0.772 278 M N -2.481 117.156 119.600 0.061 0.000 2.595 278 M HA -0.016 4.465 4.480 0.001 0.000 0.248 278 M C 1.663 178.018 176.300 0.091 0.000 1.119 278 M CA 0.324 55.687 55.300 0.105 0.000 1.079 278 M CB -0.522 32.160 32.600 0.136 0.000 1.472 278 M HN -0.095 nan 8.290 nan 0.000 0.501 279 I N 1.950 122.546 120.570 0.044 0.000 2.185 279 I HA -0.337 3.833 4.170 0.001 0.000 0.246 279 I C 1.618 177.681 176.117 -0.090 0.000 1.088 279 I CA 1.971 63.264 61.300 -0.012 0.000 1.347 279 I CB -0.416 37.567 38.000 -0.028 0.000 1.041 279 I HN 0.236 nan 8.210 nan 0.000 0.415 280 D N -0.506 119.860 120.400 -0.057 0.000 2.234 280 D HA -0.075 4.566 4.640 0.001 0.000 0.205 280 D C 2.423 178.678 176.300 -0.075 0.000 0.962 280 D CA 0.810 54.761 54.000 -0.080 0.000 0.855 280 D CB -0.068 40.705 40.800 -0.046 0.000 0.951 280 D HN 0.353 nan 8.370 nan 0.000 0.500 281 R N 0.047 120.540 120.500 -0.012 0.000 2.100 281 R HA 0.046 4.387 4.340 0.001 0.000 0.220 281 R C 2.316 178.617 176.300 0.002 0.000 1.091 281 R CA 0.655 56.755 56.100 -0.001 0.000 0.986 281 R CB 0.058 30.412 30.300 0.089 0.000 0.888 281 R HN 0.195 nan 8.270 nan 0.000 0.444 282 Q N 0.114 119.968 119.800 0.091 0.000 2.030 282 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 282 Q C 2.069 178.040 176.000 -0.048 0.000 0.986 282 Q CA 1.785 57.674 55.803 0.144 0.000 0.843 282 Q CB -0.096 28.788 28.738 0.244 0.000 0.904 282 Q HN 0.316 nan 8.270 nan 0.000 0.420 283 M N 0.047 119.426 119.600 -0.368 0.000 2.229 283 M HA -0.178 4.303 4.480 0.001 0.000 0.264 283 M C 2.148 178.320 176.300 -0.213 0.000 1.063 283 M CA 1.406 56.370 55.300 -0.559 0.000 1.114 283 M CB -0.133 32.035 32.600 -0.720 0.000 1.387 283 M HN 0.196 nan 8.290 nan 0.000 0.420 284 E N 1.118 121.226 120.200 -0.154 0.000 2.072 284 E HA -0.209 4.142 4.350 0.001 0.000 0.191 284 E C 1.821 178.369 176.600 -0.088 0.000 0.985 284 E CA 1.112 57.450 56.400 -0.103 0.000 0.801 284 E CB -0.327 29.315 29.700 -0.097 0.000 0.750 284 E HN 0.336 nan 8.360 nan 0.000 0.452 285 L N 0.757 121.904 121.223 -0.127 0.000 2.042 285 L HA -0.050 4.291 4.340 0.001 0.000 0.210 285 L C 2.338 179.169 176.870 -0.064 0.000 1.076 285 L CA 2.305 57.058 54.840 -0.144 0.000 0.749 285 L CB -1.041 40.822 42.059 -0.327 0.000 0.893 285 L HN 0.260 nan 8.230 nan 0.000 0.432 286 A N -0.878 121.947 122.820 0.007 0.000 1.940 286 A HA -0.242 4.078 4.320 0.001 0.000 0.219 286 A C 2.174 179.786 177.584 0.048 0.000 1.176 286 A CA 1.939 54.020 52.037 0.073 0.000 0.631 286 A CB -0.620 18.536 19.000 0.261 0.000 0.814 286 A HN 0.644 nan 8.150 nan 0.000 0.446 287 E N -0.675 119.540 120.200 0.025 0.000 2.051 287 E HA -0.176 4.175 4.350 0.001 0.000 0.192 287 E C 2.320 178.940 176.600 0.034 0.000 0.991 287 E CA 0.889 57.303 56.400 0.022 0.000 0.799 287 E CB -0.214 29.485 29.700 -0.003 0.000 0.748 287 E HN 0.400 nan 8.360 nan 0.000 0.449 288 R N 0.616 121.141 120.500 0.042 0.000 2.105 288 R HA -0.115 4.225 4.340 0.001 0.000 0.239 288 R C 2.498 178.905 176.300 0.178 0.000 1.135 288 R CA 0.807 56.974 56.100 0.112 0.000 0.967 288 R CB -0.788 29.598 30.300 0.143 0.000 0.861 288 R HN 0.238 nan 8.270 nan 0.000 0.442 289 L N 0.678 121.930 121.223 0.049 0.000 2.046 289 L HA -0.148 4.193 4.340 0.001 0.000 0.208 289 L C 2.531 179.395 176.870 -0.010 0.000 1.077 289 L CA 1.388 56.154 54.840 -0.123 0.000 0.747 289 L CB -0.360 41.542 42.059 -0.262 0.000 0.896 289 L HN 0.206 nan 8.230 nan 0.000 0.432 290 E N 0.072 120.284 120.200 0.021 0.000 2.047 290 E HA -0.282 4.068 4.350 0.001 0.000 0.191 290 E C 2.166 178.794 176.600 0.046 0.000 0.987 290 E CA 1.240 57.662 56.400 0.037 0.000 0.799 290 E CB 0.020 29.746 29.700 0.043 0.000 0.752 290 E HN 0.307 nan 8.360 nan 0.000 0.449 291 K N 0.963 121.394 120.400 0.051 0.000 2.152 291 K HA -0.140 4.180 4.320 0.001 0.000 0.206 291 K C 1.786 178.417 176.600 0.052 0.000 1.048 291 K CA 1.092 57.406 56.287 0.044 0.000 0.933 291 K CB 0.194 32.717 32.500 0.038 0.000 0.721 291 K HN -0.186 nan 8.250 nan 0.000 0.447 292 K N -0.304 120.151 120.400 0.091 0.000 2.476 292 K HA 0.042 4.362 4.320 0.001 0.000 0.196 292 K C 0.477 177.127 176.600 0.084 0.000 1.025 292 K CA 0.758 57.109 56.287 0.107 0.000 1.138 292 K CB 0.527 33.177 32.500 0.250 0.000 0.860 292 K HN 0.520 nan 8.250 nan 0.000 0.515 293 G N 0.732 109.568 108.800 0.058 0.000 2.157 293 G HA2 -0.230 3.731 3.960 0.001 0.000 0.248 293 G HA3 -0.230 3.731 3.960 0.001 0.000 0.248 293 G C 0.170 175.096 174.900 0.043 0.000 0.979 293 G CA 0.191 45.318 45.100 0.045 0.000 0.650 293 G HN 0.147 nan 8.290 nan 0.000 0.529 294 V N 1.288 121.223 119.914 0.036 0.000 2.614 294 V HA 0.312 4.432 4.120 0.001 0.000 0.291 294 V C 0.767 176.890 176.094 0.048 0.000 1.049 294 V CA -0.118 62.198 62.300 0.025 0.000 1.038 294 V CB 1.587 33.381 31.823 -0.047 0.000 0.980 294 V HN 0.341 nan 8.190 nan 0.000 0.481 295 D N 4.493 124.938 120.400 0.076 0.000 2.385 295 D HA 0.080 4.721 4.640 0.001 0.000 0.260 295 D C -0.379 175.997 176.300 0.127 0.000 1.326 295 D CA 0.339 54.397 54.000 0.097 0.000 1.023 295 D CB 0.266 41.128 40.800 0.104 0.000 1.083 295 D HN 0.221 nan 8.370 nan 0.000 0.517 296 V N 4.525 124.500 119.914 0.102 0.000 2.370 296 V HA 0.207 4.328 4.120 0.001 0.000 0.279 296 V C 0.305 176.463 176.094 0.107 0.000 1.029 296 V CA -0.877 61.484 62.300 0.102 0.000 0.870 296 V CB 1.857 33.718 31.823 0.064 0.000 0.984 296 V HN 0.197 nan 8.190 nan 0.000 0.451 297 V N 5.303 125.290 119.914 0.122 0.000 2.304 297 V HA 0.607 4.728 4.120 0.001 0.000 0.269 297 V C 0.609 176.681 176.094 -0.036 0.000 1.036 297 V CA -0.366 61.979 62.300 0.074 0.000 0.840 297 V CB 0.993 32.907 31.823 0.152 0.000 1.036 297 V HN 0.940 nan 8.190 nan 0.000 0.466 298 A N 4.447 127.244 122.820 -0.039 0.000 2.306 298 A HA 0.821 5.142 4.320 0.001 0.000 0.314 298 A C -0.208 177.212 177.584 -0.273 0.000 1.164 298 A CA -0.547 51.396 52.037 -0.157 0.000 0.822 298 A CB 1.317 20.366 19.000 0.082 0.000 1.130 298 A HN 0.733 nan 8.150 nan 0.000 0.496 299 Q N 1.490 120.921 119.800 -0.615 0.000 3.021 299 Q HA 0.526 4.866 4.340 0.001 0.000 0.234 299 Q C -2.287 173.341 176.000 -0.620 0.000 0.930 299 Q CA 0.046 55.593 55.803 -0.426 0.000 0.714 299 Q CB 0.193 28.787 28.738 -0.240 0.000 1.325 299 Q HN 0.509 nan 8.270 nan 0.000 0.473 300 F N 1.959 121.913 119.950 0.007 0.000 2.402 300 F HA 0.489 5.016 4.527 0.001 0.000 0.355 300 F C 0.186 175.991 175.800 0.009 0.000 1.123 300 F CA -0.788 57.218 58.000 0.010 0.000 1.021 300 F CB 1.246 40.261 39.000 0.024 0.000 1.160 300 F HN 0.279 nan 8.300 nan 0.000 0.451 301 D N 1.945 122.427 120.400 0.137 0.000 2.277 301 D HA 0.411 5.052 4.640 0.001 0.000 0.250 301 D C -0.245 176.120 176.300 0.108 0.000 1.032 301 D CA -0.302 53.746 54.000 0.079 0.000 0.947 301 D CB 2.439 43.251 40.800 0.020 0.000 1.159 301 D HN 0.317 nan 8.370 nan 0.000 0.460 302 V N -1.688 118.264 119.914 0.063 0.000 2.834 302 V HA 0.690 4.810 4.120 0.001 0.000 0.301 302 V C 0.971 177.117 176.094 0.087 0.000 1.066 302 V CA 0.392 62.730 62.300 0.062 0.000 1.052 302 V CB 0.471 32.287 31.823 -0.011 0.000 1.021 302 V HN 0.885 nan 8.190 nan 0.000 0.480 303 G N 2.322 111.208 108.800 0.145 0.000 2.547 303 G HA2 0.246 4.207 3.960 0.001 0.000 0.271 303 G HA3 0.246 4.207 3.960 0.001 0.000 0.271 303 G C 1.119 176.082 174.900 0.105 0.000 1.209 303 G CA 0.481 45.659 45.100 0.130 0.000 0.959 303 G HN 3.034 nan 8.290 nan 0.000 0.563 304 G N -1.492 107.354 108.800 0.076 0.000 2.591 304 G HA2 0.394 4.354 3.960 0.001 0.000 0.278 304 G HA3 0.394 4.354 3.960 0.001 0.000 0.278 304 G C 0.076 175.051 174.900 0.125 0.000 1.293 304 G CA 1.897 46.993 45.100 -0.007 0.000 0.930 304 G HN 2.722 nan 8.290 nan 0.000 0.562 305 Y N -4.602 115.701 120.300 0.005 0.000 2.788 305 Y HA 0.666 5.217 4.550 0.001 0.000 0.335 305 Y C -0.246 175.653 175.900 -0.000 0.000 1.287 305 Y CA -0.638 57.475 58.100 0.022 0.000 1.068 305 Y CB 0.366 38.845 38.460 0.031 0.000 1.340 305 Y HN 0.980 nan 8.280 nan 0.000 0.449 306 H N 1.582 120.748 119.070 0.160 0.000 2.975 306 H HA 0.452 5.008 4.556 0.001 0.000 0.303 306 H C 0.702 176.034 175.328 0.007 0.000 1.023 306 H CA 1.485 57.554 56.048 0.035 0.000 1.473 306 H CB 0.622 30.411 29.762 0.044 0.000 1.498 306 H HN 1.291 nan 8.280 nan 0.000 0.549 307 A N 3.421 125.877 122.820 -0.606 0.000 3.028 307 A HA -0.243 4.078 4.320 0.001 0.000 0.248 307 A C 1.974 179.357 177.584 -0.335 0.000 1.316 307 A CA 0.840 52.615 52.037 -0.436 0.000 1.003 307 A CB -2.346 16.524 19.000 -0.217 0.000 1.148 307 A HN 0.774 nan 8.150 nan 0.000 0.828 308 V N 0.488 120.072 119.914 -0.549 0.000 2.380 308 V HA -0.312 3.808 4.120 0.001 0.000 0.251 308 V C 2.292 178.175 176.094 -0.352 0.000 1.063 308 V CA 3.027 64.909 62.300 -0.697 0.000 1.055 308 V CB -0.542 30.600 31.823 -1.136 0.000 0.657 308 V HN 0.694 nan 8.190 nan 0.000 0.455 309 K N -0.304 119.894 120.400 -0.337 0.000 2.218 309 K HA -0.144 4.177 4.320 0.001 0.000 0.205 309 K C 1.848 178.392 176.600 -0.092 0.000 1.046 309 K CA 1.677 57.833 56.287 -0.218 0.000 0.933 309 K CB -0.320 32.008 32.500 -0.285 0.000 0.728 309 K HN 0.504 nan 8.250 nan 0.000 0.454 310 L N 0.193 121.304 121.223 -0.186 0.000 2.492 310 L HA -0.052 4.289 4.340 0.001 0.000 0.223 310 L C 1.559 178.399 176.870 -0.049 0.000 1.132 310 L CA 0.771 55.529 54.840 -0.137 0.000 0.850 310 L CB -0.084 41.774 42.059 -0.334 0.000 0.966 310 L HN 0.171 nan 8.230 nan 0.000 0.454 311 E N -1.358 118.821 120.200 -0.036 0.000 2.364 311 E HA 0.025 4.375 4.350 0.001 0.000 0.203 311 E C 0.203 176.816 176.600 0.021 0.000 0.888 311 E CA -0.089 56.321 56.400 0.018 0.000 0.989 311 E CB 0.648 30.397 29.700 0.081 0.000 0.985 311 E HN 0.118 nan 8.360 nan 0.000 0.499 312 D N 1.304 121.696 120.400 -0.014 0.000 2.443 312 D HA 0.115 4.756 4.640 0.001 0.000 0.221 312 D C -2.003 174.285 176.300 -0.021 0.000 1.097 312 D CA -2.290 51.698 54.000 -0.020 0.000 0.865 312 D CB 1.525 42.286 40.800 -0.064 0.000 1.034 312 D HN -0.168 nan 8.370 nan 0.000 0.511 313 P HA -0.103 nan 4.420 nan 0.000 0.222 313 P C 0.959 178.238 177.300 -0.035 0.000 1.147 313 P CA 0.684 63.785 63.100 0.002 0.000 0.790 313 P CB 0.625 32.332 31.700 0.012 0.000 0.780 314 E N 0.264 120.439 120.200 -0.041 0.000 2.060 314 E HA -0.083 4.267 4.350 0.001 0.000 0.189 314 E C 1.759 178.313 176.600 -0.077 0.000 0.974 314 E CA 1.370 57.738 56.400 -0.053 0.000 0.808 314 E CB -0.478 29.200 29.700 -0.036 0.000 0.768 314 E HN 0.049 nan 8.360 nan 0.000 0.453 315 K N 0.047 120.395 120.400 -0.086 0.000 2.097 315 K HA 0.012 4.332 4.320 0.001 0.000 0.205 315 K C 2.101 178.612 176.600 -0.148 0.000 1.050 315 K CA 0.847 57.068 56.287 -0.111 0.000 0.938 315 K CB -0.117 32.303 32.500 -0.133 0.000 0.718 315 K HN 0.140 nan 8.250 nan 0.000 0.442 316 A N 2.270 124.991 122.820 -0.165 0.000 1.865 316 A HA -0.242 4.078 4.320 0.001 0.000 0.217 316 A C 2.096 179.322 177.584 -0.596 0.000 1.191 316 A CA 1.793 53.635 52.037 -0.324 0.000 0.623 316 A CB -0.477 18.442 19.000 -0.134 0.000 0.826 316 A HN 0.226 nan 8.150 nan 0.000 0.444 317 K N -0.454 119.779 120.400 -0.278 0.000 2.113 317 K HA -0.245 4.076 4.320 0.001 0.000 0.208 317 K C 2.182 178.696 176.600 -0.144 0.000 1.047 317 K CA 1.888 58.079 56.287 -0.160 0.000 0.928 317 K CB -0.210 32.213 32.500 -0.128 0.000 0.716 317 K HN 0.689 nan 8.250 nan 0.000 0.446 318 Q N -0.825 118.896 119.800 -0.132 0.000 2.172 318 Q HA -0.148 4.192 4.340 0.001 0.000 0.200 318 Q C 1.892 177.838 176.000 -0.089 0.000 0.964 318 Q CA 1.270 57.021 55.803 -0.087 0.000 0.855 318 Q CB -0.097 28.604 28.738 -0.062 0.000 0.918 318 Q HN 0.361 nan 8.270 nan 0.000 0.444 319 F N 0.272 120.038 119.950 -0.306 0.000 2.187 319 F HA -0.097 4.431 4.527 0.001 0.000 0.295 319 F C 1.423 177.084 175.800 -0.232 0.000 1.091 319 F CA 0.745 58.562 58.000 -0.305 0.000 1.308 319 F CB -0.065 38.715 39.000 -0.366 0.000 1.030 319 F HN -0.113 nan 8.300 nan 0.000 0.487 320 F N 0.539 120.328 119.950 -0.268 0.000 2.161 320 F HA -0.166 4.361 4.527 0.001 0.000 0.300 320 F C 2.489 178.129 175.800 -0.266 0.000 1.089 320 F CA 1.131 58.933 58.000 -0.330 0.000 1.282 320 F CB -1.698 37.211 39.000 -0.152 0.000 1.010 320 F HN -0.146 nan 8.300 nan 0.000 0.485 321 V N 0.724 120.617 119.914 -0.036 0.000 2.287 321 V HA -0.315 3.806 4.120 0.001 0.000 0.248 321 V C 2.379 178.416 176.094 -0.095 0.000 1.053 321 V CA 2.044 64.314 62.300 -0.049 0.000 1.027 321 V CB -0.691 31.107 31.823 -0.041 0.000 0.646 321 V HN 0.293 nan 8.190 nan 0.000 0.447 322 I N -0.790 119.684 120.570 -0.159 0.000 2.252 322 I HA -0.221 3.950 4.170 0.001 0.000 0.245 322 I C 2.361 178.355 176.117 -0.206 0.000 1.102 322 I CA 1.298 62.500 61.300 -0.163 0.000 1.385 322 I CB -0.425 37.478 38.000 -0.162 0.000 1.064 322 I HN 0.290 nan 8.210 nan 0.000 0.414 323 L N 1.191 122.169 121.223 -0.408 0.000 2.056 323 L HA -0.180 4.161 4.340 0.001 0.000 0.207 323 L C 2.488 179.271 176.870 -0.145 0.000 1.078 323 L CA 1.829 56.458 54.840 -0.351 0.000 0.749 323 L CB -0.628 41.084 42.059 -0.577 0.000 0.901 323 L HN 0.090 nan 8.230 nan 0.000 0.433 324 K N -0.501 119.827 120.400 -0.120 0.000 2.020 324 K HA -0.247 4.073 4.320 0.001 0.000 0.212 324 K C 2.233 178.800 176.600 -0.055 0.000 1.050 324 K CA 1.712 57.955 56.287 -0.073 0.000 0.929 324 K CB -0.113 32.360 32.500 -0.044 0.000 0.714 324 K HN 0.225 nan 8.250 nan 0.000 0.443 325 K N -0.092 120.286 120.400 -0.038 0.000 2.015 325 K HA -0.220 4.101 4.320 0.001 0.000 0.216 325 K C 2.093 178.693 176.600 -0.000 0.000 1.052 325 K CA 2.106 58.385 56.287 -0.014 0.000 0.937 325 K CB -0.489 32.010 32.500 -0.001 0.000 0.719 325 K HN 0.217 nan 8.250 nan 0.000 0.446 326 F N 1.466 121.328 119.950 -0.148 0.000 2.161 326 F HA -0.215 4.312 4.527 0.001 0.000 0.300 326 F C 1.984 177.643 175.800 -0.234 0.000 1.089 326 F CA 1.110 59.014 58.000 -0.160 0.000 1.282 326 F CB -0.124 38.762 39.000 -0.189 0.000 1.010 326 F HN -0.227 nan 8.300 nan 0.000 0.485 327 V N -0.453 119.326 119.914 -0.224 0.000 2.809 327 V HA -0.075 4.045 4.120 0.001 0.000 0.256 327 V C 1.142 177.144 176.094 -0.153 0.000 1.080 327 V CA 0.981 63.006 62.300 -0.458 0.000 1.102 327 V CB -0.068 31.534 31.823 -0.370 0.000 0.705 327 V HN 0.189 nan 8.190 nan 0.000 0.475 328 V N 0.000 119.856 119.914 -0.097 0.000 2.409 328 V HA 0.000 4.121 4.120 0.001 0.000 0.244 328 V CA 0.000 62.282 62.300 -0.029 0.000 1.235 328 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 328 V HN 0.000 nan 8.190 nan 0.000 0.556