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 2vx2_1_G DATA FIRST_RESID 46 DATA SEQUENCE RPTSARQLDG IRNIVLSNPK KRNTLSLAML KSLQSDILHD ADSNDLKVII DATA SEQUENCE ISAEGPVFSS GHDLKELTEE QGRDYHAEVF QTCSKVMMHI RNHPVPVIAM DATA SEQUENCE VNGLATAAGC QLVASCDIAV ASDKSSFATP GVNVGLFCST PGVALARAVP DATA SEQUENCE RKVALEMLFT GEPISAQEAL LHGLLSKVVP EAELQEETMR IARKIASLSR DATA SEQUENCE PVVSLGKATF YKQLPQDLGT AYYLTSQAMV DNLALRDGQE GITAFLQKRK DATA SEQUENCE PVW 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 46 R HA 0.000 nan 4.340 nan 0.000 0.208 46 R C 0.000 176.287 176.300 -0.021 0.000 0.893 46 R CA 0.000 56.091 56.100 -0.016 0.000 0.921 46 R CB 0.000 30.291 30.300 -0.016 0.000 0.687 47 P HA 0.013 nan 4.420 nan 0.000 0.225 47 P C 0.464 177.738 177.300 -0.044 0.000 1.156 47 P CA 1.679 64.759 63.100 -0.033 0.000 0.787 47 P CB 0.312 31.993 31.700 -0.031 0.000 0.802 48 T N -1.801 112.729 114.554 -0.040 0.000 2.888 48 T HA 0.571 4.921 4.350 -0.000 0.000 0.284 48 T C -0.145 174.535 174.700 -0.032 0.000 1.017 48 T CA -0.691 61.383 62.100 -0.044 0.000 1.022 48 T CB 1.731 70.573 68.868 -0.044 0.000 1.013 48 T HN 0.062 nan 8.240 nan 0.000 0.465 49 S N 0.886 116.568 115.700 -0.031 0.000 2.473 49 S HA 0.802 5.272 4.470 -0.000 0.000 0.307 49 S C -0.489 174.100 174.600 -0.019 0.000 1.094 49 S CA -1.024 57.163 58.200 -0.021 0.000 1.070 49 S CB 1.311 64.500 63.200 -0.018 0.000 1.019 49 S HN 1.325 nan 8.310 nan 0.000 0.480 50 A N 3.463 126.275 122.820 -0.013 0.000 2.355 50 A HA 0.884 5.204 4.320 -0.000 0.000 0.317 50 A C -0.202 177.380 177.584 -0.004 0.000 1.094 50 A CA -1.185 50.846 52.037 -0.009 0.000 0.764 50 A CB 1.134 20.129 19.000 -0.009 0.000 1.230 50 A HN 1.003 nan 8.150 nan 0.000 0.448 51 R N 1.422 121.922 120.500 -0.001 0.000 2.795 51 R HA 0.736 5.076 4.340 -0.000 0.000 0.275 51 R C -0.986 175.318 176.300 0.006 0.000 0.981 51 R CA -0.817 55.285 56.100 0.003 0.000 0.917 51 R CB 1.663 31.965 30.300 0.003 0.000 1.202 51 R HN 0.659 nan 8.270 nan 0.000 0.469 52 Q N 1.824 121.629 119.800 0.009 0.000 2.321 52 Q HA 0.661 5.001 4.340 -0.000 0.000 0.270 52 Q C -1.910 174.098 176.000 0.013 0.000 1.032 52 Q CA -0.575 55.235 55.803 0.012 0.000 0.784 52 Q CB 2.162 30.909 28.738 0.016 0.000 1.264 52 Q HN 0.644 nan 8.270 nan 0.000 0.448 53 L N 1.654 122.886 121.223 0.014 0.000 2.455 53 L HA 0.551 4.891 4.340 -0.000 0.000 0.264 53 L C 0.078 176.960 176.870 0.019 0.000 0.968 53 L CA -0.542 54.307 54.840 0.016 0.000 0.827 53 L CB 1.799 43.866 42.059 0.013 0.000 1.317 53 L HN 0.882 nan 8.230 nan 0.000 0.407 54 D N 1.915 122.328 120.400 0.021 0.000 2.911 54 D HA -0.141 4.499 4.640 -0.000 0.000 0.227 54 D C 1.269 177.586 176.300 0.029 0.000 1.164 54 D CA 2.702 56.718 54.000 0.026 0.000 0.782 54 D CB -0.869 39.946 40.800 0.025 0.000 1.094 54 D HN 2.451 nan 8.370 nan 0.000 0.425 55 G N -0.771 108.045 108.800 0.028 0.000 2.175 55 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 55 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 55 G C 0.348 175.263 174.900 0.025 0.000 0.982 55 G CA 0.224 45.341 45.100 0.029 0.000 0.641 55 G HN 0.496 nan 8.290 nan 0.000 0.527 56 I N 1.147 121.729 120.570 0.020 0.000 2.330 56 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 56 I C 0.647 176.772 176.117 0.012 0.000 1.001 56 I CA -0.786 60.523 61.300 0.015 0.000 1.193 56 I CB 1.486 39.495 38.000 0.014 0.000 1.345 56 I HN 0.107 nan 8.210 nan 0.000 0.461 57 R N 5.567 126.071 120.500 0.007 0.000 2.207 57 R HA 0.273 4.613 4.340 -0.000 0.000 0.334 57 R C -0.651 175.648 176.300 -0.002 0.000 1.013 57 R CA -0.496 55.605 56.100 0.003 0.000 0.858 57 R CB 0.680 30.981 30.300 0.002 0.000 1.094 57 R HN 0.535 nan 8.270 nan 0.000 0.457 58 N N 5.699 124.400 118.700 0.001 0.000 2.457 58 N HA 0.233 4.973 4.740 -0.000 0.000 0.250 58 N C -0.940 174.569 175.510 -0.002 0.000 0.982 58 N CA -0.336 52.716 53.050 0.003 0.000 0.941 58 N CB 0.919 39.411 38.487 0.008 0.000 1.120 58 N HN 0.574 nan 8.380 nan 0.000 0.505 59 I N 3.331 123.898 120.570 -0.005 0.000 2.337 59 I HA 0.222 4.392 4.170 -0.000 0.000 0.285 59 I C -0.119 175.987 176.117 -0.019 0.000 1.041 59 I CA -0.835 60.456 61.300 -0.014 0.000 1.199 59 I CB 1.196 39.183 38.000 -0.022 0.000 1.370 59 I HN -0.028 nan 8.210 nan 0.000 0.470 60 V N 6.765 126.663 119.914 -0.027 0.000 2.383 60 V HA 0.268 4.388 4.120 -0.000 0.000 0.275 60 V C 0.811 176.858 176.094 -0.078 0.000 1.036 60 V CA -0.716 61.559 62.300 -0.042 0.000 0.889 60 V CB 1.315 33.122 31.823 -0.027 0.000 0.985 60 V HN 0.553 nan 8.190 nan 0.000 0.459 61 L N 3.800 124.941 121.223 -0.138 0.000 2.530 61 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 61 L C 0.720 177.514 176.870 -0.128 0.000 1.141 61 L CA 0.428 55.165 54.840 -0.172 0.000 0.905 61 L CB -0.363 41.506 42.059 -0.316 0.000 1.202 61 L HN 0.822 nan 8.230 nan 0.000 0.473 62 S N 2.784 118.431 115.700 -0.089 0.000 2.143 62 S HA 0.325 4.795 4.470 -0.000 0.000 0.188 62 S C 0.379 174.946 174.600 -0.054 0.000 1.431 62 S CA -0.234 57.928 58.200 -0.063 0.000 1.253 62 S CB -0.369 62.804 63.200 -0.045 0.000 1.137 62 S HN 0.880 nan 8.310 nan 0.000 0.457 63 N N 1.968 120.630 118.700 -0.063 0.000 2.664 63 N HA 0.301 5.041 4.740 -0.000 0.000 0.287 63 N C -2.452 173.029 175.510 -0.049 0.000 1.869 63 N CA -1.816 51.205 53.050 -0.048 0.000 0.832 63 N CB 0.807 39.267 38.487 -0.045 0.000 1.293 63 N HN 0.067 nan 8.380 nan 0.000 0.498 64 P HA -0.048 nan 4.420 nan 0.000 0.223 64 P C 1.192 178.474 177.300 -0.030 0.000 1.151 64 P CA 1.155 64.230 63.100 -0.042 0.000 0.787 64 P CB 0.142 31.821 31.700 -0.035 0.000 0.788 65 K N 0.013 120.397 120.400 -0.025 0.000 2.519 65 K HA 0.047 4.367 4.320 -0.000 0.000 0.196 65 K C 1.671 178.261 176.600 -0.018 0.000 1.041 65 K CA 1.788 58.064 56.287 -0.019 0.000 0.954 65 K CB -1.389 31.102 32.500 -0.016 0.000 0.774 65 K HN 0.402 nan 8.250 nan 0.000 0.480 66 K N 0.637 121.024 120.400 -0.022 0.000 3.123 66 K HA 0.381 4.701 4.320 -0.000 0.000 0.209 66 K C 0.394 176.979 176.600 -0.026 0.000 1.132 66 K CA 0.029 56.305 56.287 -0.019 0.000 0.992 66 K CB -0.730 31.762 32.500 -0.014 0.000 0.773 66 K HN 0.414 nan 8.250 nan 0.000 0.458 67 R N 1.285 121.767 120.500 -0.030 0.000 3.610 67 R HA -0.200 4.140 4.340 -0.000 0.000 0.274 67 R C -0.591 175.674 176.300 -0.059 0.000 1.123 67 R CA 0.599 56.677 56.100 -0.037 0.000 0.747 67 R CB -1.869 28.415 30.300 -0.026 0.000 1.149 67 R HN 0.763 nan 8.270 nan 0.000 0.471 68 N N -0.610 118.047 118.700 -0.072 0.000 2.727 68 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 68 N C 0.152 175.604 175.510 -0.097 0.000 1.048 68 N CA 1.952 54.938 53.050 -0.107 0.000 0.714 68 N CB -1.153 37.227 38.487 -0.178 0.000 0.959 68 N HN 0.698 nan 8.380 nan 0.000 0.544 69 T N -2.015 112.504 114.554 -0.059 0.000 2.903 69 T HA 0.275 4.625 4.350 -0.000 0.000 0.314 69 T C 1.150 175.823 174.700 -0.044 0.000 1.078 69 T CA -0.440 61.633 62.100 -0.043 0.000 1.114 69 T CB 0.974 69.837 68.868 -0.008 0.000 0.987 69 T HN 0.256 nan 8.240 nan 0.000 0.548 70 L N 3.347 124.541 121.223 -0.047 0.000 2.423 70 L HA 0.217 4.557 4.340 -0.000 0.000 0.249 70 L C 1.255 178.178 176.870 0.088 0.000 1.276 70 L CA -0.702 54.126 54.840 -0.020 0.000 1.199 70 L CB -0.778 41.213 42.059 -0.114 0.000 1.407 70 L HN 0.890 nan 8.230 nan 0.000 0.410 71 S N -0.572 115.151 115.700 0.040 0.000 2.600 71 S HA 0.330 4.800 4.470 -0.000 0.000 0.265 71 S C 1.778 176.380 174.600 0.005 0.000 1.325 71 S CA -0.159 58.060 58.200 0.033 0.000 1.002 71 S CB 1.329 64.547 63.200 0.029 0.000 0.921 71 S HN 0.288 nan 8.310 nan 0.000 0.554 72 L N 0.750 121.955 121.223 -0.030 0.000 2.043 72 L HA 0.080 4.420 4.340 -0.000 0.000 0.212 72 L C 3.165 180.025 176.870 -0.016 0.000 1.075 72 L CA 2.683 57.485 54.840 -0.063 0.000 0.752 72 L CB -2.610 39.392 42.059 -0.096 0.000 0.891 72 L HN 1.147 nan 8.230 nan 0.000 0.432 73 A N -1.103 121.724 122.820 0.012 0.000 1.877 73 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 73 A C 2.442 180.021 177.584 -0.008 0.000 1.186 73 A CA 2.462 54.503 52.037 0.007 0.000 0.620 73 A CB -0.533 18.476 19.000 0.015 0.000 0.822 73 A HN 0.845 nan 8.150 nan 0.000 0.443 74 M N -0.138 119.456 119.600 -0.011 0.000 2.080 74 M HA -0.081 4.399 4.480 -0.000 0.000 0.260 74 M C 1.844 178.128 176.300 -0.027 0.000 1.068 74 M CA 1.701 56.986 55.300 -0.024 0.000 1.109 74 M CB -0.622 31.960 32.600 -0.031 0.000 1.342 74 M HN 0.349 nan 8.290 nan 0.000 0.405 75 L N -0.966 120.247 121.223 -0.017 0.000 2.017 75 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 75 L C 2.496 179.351 176.870 -0.025 0.000 1.073 75 L CA 1.457 56.289 54.840 -0.014 0.000 0.745 75 L CB -0.927 41.134 42.059 0.003 0.000 0.894 75 L HN 0.139 nan 8.230 nan 0.000 0.432 76 K N -0.897 119.487 120.400 -0.026 0.000 2.057 76 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 76 K C 2.401 178.981 176.600 -0.033 0.000 1.049 76 K CA 1.379 57.647 56.287 -0.031 0.000 0.931 76 K CB -0.694 31.794 32.500 -0.021 0.000 0.714 76 K HN 0.364 nan 8.250 nan 0.000 0.440 77 S N 0.349 116.033 115.700 -0.027 0.000 2.368 77 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 77 S C 1.851 176.432 174.600 -0.033 0.000 1.029 77 S CA 1.259 59.442 58.200 -0.028 0.000 0.988 77 S CB -0.317 62.867 63.200 -0.026 0.000 0.838 77 S HN 0.327 nan 8.310 nan 0.000 0.462 78 L N 2.132 123.333 121.223 -0.036 0.000 2.056 78 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 78 L C 2.778 179.623 176.870 -0.041 0.000 1.078 78 L CA 2.694 57.511 54.840 -0.038 0.000 0.749 78 L CB -1.538 40.498 42.059 -0.038 0.000 0.901 78 L HN 0.466 nan 8.230 nan 0.000 0.433 79 Q N -1.135 118.633 119.800 -0.054 0.000 2.124 79 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 79 Q C 2.521 178.466 176.000 -0.092 0.000 0.977 79 Q CA 2.033 57.778 55.803 -0.096 0.000 0.850 79 Q CB -1.484 27.174 28.738 -0.132 0.000 0.901 79 Q HN 0.666 nan 8.270 nan 0.000 0.429 80 S N 0.455 116.118 115.700 -0.062 0.000 2.368 80 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 80 S C 1.596 176.183 174.600 -0.022 0.000 1.029 80 S CA 1.423 59.598 58.200 -0.042 0.000 0.988 80 S CB -0.352 62.829 63.200 -0.031 0.000 0.838 80 S HN 0.709 nan 8.310 nan 0.000 0.462 81 D N 1.061 121.449 120.400 -0.020 0.000 2.144 81 D HA -0.007 4.633 4.640 -0.000 0.000 0.200 81 D C 1.852 178.153 176.300 0.002 0.000 0.978 81 D CA 0.940 54.934 54.000 -0.010 0.000 0.833 81 D CB -0.312 40.477 40.800 -0.018 0.000 0.961 81 D HN 0.465 nan 8.370 nan 0.000 0.470 82 I N 0.371 120.938 120.570 -0.005 0.000 2.252 82 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 82 I C 2.251 178.458 176.117 0.150 0.000 1.102 82 I CA 0.712 62.020 61.300 0.014 0.000 1.385 82 I CB -0.045 37.951 38.000 -0.006 0.000 1.064 82 I HN -0.058 nan 8.210 nan 0.000 0.414 83 L N 0.001 121.273 121.223 0.083 0.000 2.313 83 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 83 L C 1.708 178.620 176.870 0.069 0.000 1.119 83 L CA 0.083 54.974 54.840 0.085 0.000 0.809 83 L CB -1.410 40.639 42.059 -0.017 0.000 0.933 83 L HN 0.436 nan 8.230 nan 0.000 0.449 84 H N 0.472 119.572 119.070 0.050 0.000 3.094 84 H HA 0.005 4.561 4.556 -0.000 0.000 0.320 84 H C 0.463 175.820 175.328 0.049 0.000 1.000 84 H CA -0.122 55.948 56.048 0.036 0.000 1.413 84 H CB -0.693 29.084 29.762 0.025 0.000 1.405 84 H HN 0.419 nan 8.280 nan 0.000 0.586 85 D N 0.980 121.399 120.400 0.031 0.000 2.764 85 D HA -0.205 4.435 4.640 -0.000 0.000 0.223 85 D C 1.483 177.806 176.300 0.038 0.000 1.207 85 D CA 1.151 55.168 54.000 0.028 0.000 0.614 85 D CB -1.361 39.456 40.800 0.027 0.000 1.007 85 D HN 0.999 nan 8.370 nan 0.000 0.407 86 A N 0.031 122.870 122.820 0.032 0.000 2.067 86 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 86 A C 1.670 179.229 177.584 -0.042 0.000 1.158 86 A CA 1.069 53.111 52.037 0.009 0.000 0.661 86 A CB 0.209 19.141 19.000 -0.114 0.000 0.801 86 A HN 0.259 nan 8.150 nan 0.000 0.452 87 D N -0.247 120.135 120.400 -0.030 0.000 2.342 87 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 87 D C 0.298 176.597 176.300 -0.002 0.000 1.101 87 D CA 0.187 54.172 54.000 -0.026 0.000 0.837 87 D CB 0.173 40.956 40.800 -0.027 0.000 0.938 87 D HN 0.272 nan 8.370 nan 0.000 0.508 88 S N 0.880 116.587 115.700 0.012 0.000 2.549 88 S HA 0.031 4.501 4.470 -0.000 0.000 0.279 88 S C 1.339 175.952 174.600 0.022 0.000 1.321 88 S CA -0.490 57.721 58.200 0.019 0.000 1.054 88 S CB 0.700 63.916 63.200 0.026 0.000 0.899 88 S HN 0.001 nan 8.310 nan 0.000 0.497 89 N N 3.765 122.477 118.700 0.020 0.000 2.396 89 N HA -0.038 4.702 4.740 -0.000 0.000 0.180 89 N C 1.695 177.222 175.510 0.029 0.000 1.028 89 N CA 1.379 54.443 53.050 0.022 0.000 0.893 89 N CB -0.918 37.584 38.487 0.025 0.000 0.967 89 N HN 0.858 nan 8.380 nan 0.000 0.440 90 D N 0.854 121.272 120.400 0.030 0.000 2.117 90 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 90 D C 0.858 177.179 176.300 0.034 0.000 0.987 90 D CA 0.466 54.486 54.000 0.032 0.000 0.829 90 D CB -0.276 40.542 40.800 0.029 0.000 0.961 90 D HN 0.059 nan 8.370 nan 0.000 0.460 91 L N 0.357 121.603 121.223 0.038 0.000 2.418 91 L HA 0.509 4.849 4.340 -0.000 0.000 0.274 91 L C 1.631 178.528 176.870 0.044 0.000 1.135 91 L CA 0.728 55.596 54.840 0.047 0.000 0.870 91 L CB 0.814 42.915 42.059 0.070 0.000 1.154 91 L HN 0.196 nan 8.230 nan 0.000 0.462 92 K N 3.976 124.398 120.400 0.035 0.000 2.367 92 K HA 0.550 4.870 4.320 -0.000 0.000 0.198 92 K C 0.145 176.758 176.600 0.022 0.000 1.132 92 K CA 0.949 57.250 56.287 0.023 0.000 0.941 92 K CB 0.289 32.799 32.500 0.016 0.000 1.052 92 K HN 0.485 nan 8.250 nan 0.000 0.507 93 V N 0.381 120.306 119.914 0.019 0.000 3.147 93 V HA 0.606 4.726 4.120 -0.000 0.000 0.299 93 V C -1.942 174.144 176.094 -0.013 0.000 1.302 93 V CA -0.949 61.353 62.300 0.003 0.000 1.015 93 V CB 2.076 33.899 31.823 -0.001 0.000 1.086 93 V HN 0.359 nan 8.190 nan 0.000 0.437 94 I N 5.466 126.009 120.570 -0.044 0.000 2.465 94 I HA 0.541 4.710 4.170 -0.000 0.000 0.291 94 I C -0.761 175.336 176.117 -0.034 0.000 1.014 94 I CA -0.603 60.661 61.300 -0.061 0.000 1.093 94 I CB 1.992 39.904 38.000 -0.146 0.000 1.267 94 I HN 0.408 nan 8.210 nan 0.000 0.431 95 I N 6.897 127.459 120.570 -0.013 0.000 2.355 95 I HA 0.394 4.564 4.170 -0.000 0.000 0.288 95 I C -0.363 175.770 176.117 0.027 0.000 0.999 95 I CA -0.438 60.869 61.300 0.012 0.000 1.163 95 I CB 1.470 39.482 38.000 0.019 0.000 1.316 95 I HN 0.364 nan 8.210 nan 0.000 0.454 96 I N 6.468 127.073 120.570 0.057 0.000 2.297 96 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 96 I C 0.470 176.705 176.117 0.196 0.000 1.033 96 I CA 0.188 61.546 61.300 0.095 0.000 1.253 96 I CB 0.952 39.019 38.000 0.113 0.000 1.396 96 I HN 0.651 nan 8.210 nan 0.000 0.476 97 S N 5.173 120.955 115.700 0.138 0.000 2.806 97 S HA 0.950 5.420 4.470 -0.000 0.000 0.315 97 S C -0.546 174.068 174.600 0.024 0.000 1.127 97 S CA -0.833 57.484 58.200 0.195 0.000 0.918 97 S CB 2.263 65.530 63.200 0.112 0.000 1.240 97 S HN 0.621 nan 8.310 nan 0.000 0.552 98 A N -0.684 122.152 122.820 0.028 0.000 2.498 98 A HA 0.865 5.185 4.320 -0.000 0.000 0.298 98 A C -0.460 177.098 177.584 -0.042 0.000 1.075 98 A CA -0.319 51.642 52.037 -0.128 0.000 0.714 98 A CB 0.891 19.721 19.000 -0.284 0.000 1.299 98 A HN 1.354 nan 8.150 nan 0.000 0.407 99 E N -0.031 120.127 120.200 -0.069 0.000 2.197 99 E HA 0.660 5.010 4.350 -0.000 0.000 0.281 99 E C 0.608 177.185 176.600 -0.038 0.000 0.995 99 E CA 0.056 56.432 56.400 -0.039 0.000 0.808 99 E CB 0.886 30.561 29.700 -0.041 0.000 1.093 99 E HN 2.685 nan 8.360 nan 0.000 0.394 100 G N 2.222 111.011 108.800 -0.018 0.000 2.655 100 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.680 100 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.680 100 G C -1.758 173.140 174.900 -0.004 0.000 1.302 100 G CA -0.065 45.026 45.100 -0.015 0.000 0.872 100 G HN 0.839 nan 8.290 nan 0.000 0.540 101 P HA 0.295 nan 4.420 nan 0.000 0.255 101 P C 0.185 177.481 177.300 -0.006 0.000 1.248 101 P CA 0.400 63.497 63.100 -0.005 0.000 0.807 101 P CB 0.473 32.166 31.700 -0.011 0.000 1.150 102 V N 1.471 121.381 119.914 -0.007 0.000 2.350 102 V HA 0.165 4.285 4.120 -0.000 0.000 0.285 102 V C 1.169 177.273 176.094 0.017 0.000 1.014 102 V CA -0.623 61.676 62.300 -0.001 0.000 0.831 102 V CB 0.880 32.691 31.823 -0.019 0.000 1.000 102 V HN -0.090 nan 8.190 nan 0.000 0.433 103 F N 3.741 123.643 119.950 -0.080 0.000 2.069 103 F HA -0.043 4.484 4.527 0.000 0.000 0.298 103 F C 1.231 177.001 175.800 -0.050 0.000 1.113 103 F CA 2.107 60.069 58.000 -0.063 0.000 1.214 103 F CB 0.403 39.359 39.000 -0.073 0.000 0.978 103 F HN 0.562 nan 8.300 nan 0.000 0.474 104 S N -1.661 114.055 115.700 0.027 0.000 2.560 104 S HA 0.279 4.749 4.470 -0.000 0.000 0.283 104 S C 0.174 174.775 174.600 0.002 0.000 1.141 104 S CA -0.214 57.949 58.200 -0.062 0.000 0.902 104 S CB 0.784 63.911 63.200 -0.122 0.000 1.104 104 S HN 0.350 nan 8.310 nan 0.000 0.454 105 S N 2.621 118.304 115.700 -0.029 0.000 2.593 105 S HA 0.550 5.020 4.470 -0.000 0.000 0.217 105 S C 1.317 175.901 174.600 -0.027 0.000 0.966 105 S CA 0.737 58.926 58.200 -0.019 0.000 0.914 105 S CB -0.595 62.596 63.200 -0.017 0.000 0.776 105 S HN 2.188 nan 8.310 nan 0.000 0.523 106 G N 1.323 110.086 108.800 -0.062 0.000 2.508 106 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.220 106 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.220 106 G C -0.676 174.140 174.900 -0.140 0.000 1.287 106 G CA -0.446 44.567 45.100 -0.146 0.000 0.916 106 G HN 0.517 nan 8.290 nan 0.000 0.574 107 H N 0.932 120.013 119.070 0.019 0.000 2.679 107 H HA 0.363 4.919 4.556 -0.000 0.000 0.369 107 H C -0.016 175.303 175.328 -0.015 0.000 1.178 107 H CA 0.371 56.410 56.048 -0.015 0.000 1.419 107 H CB 0.904 30.645 29.762 -0.034 0.000 1.458 107 H HN 0.492 nan 8.280 nan 0.000 0.605 108 D N 2.161 122.634 120.400 0.122 0.000 2.359 108 D HA 0.007 4.647 4.640 -0.000 0.000 0.250 108 D C 1.213 177.546 176.300 0.055 0.000 1.264 108 D CA -0.068 53.971 54.000 0.065 0.000 0.911 108 D CB 0.177 41.007 40.800 0.051 0.000 1.056 108 D HN 0.403 nan 8.370 nan 0.000 0.499 109 L N 3.243 124.498 121.223 0.053 0.000 2.191 109 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 109 L C 2.774 179.666 176.870 0.035 0.000 1.103 109 L CA 1.228 56.093 54.840 0.041 0.000 0.769 109 L CB -0.674 41.410 42.059 0.042 0.000 0.908 109 L HN 0.414 nan 8.230 nan 0.000 0.438 110 K N 0.746 121.170 120.400 0.040 0.000 2.113 110 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 110 K C 1.762 178.404 176.600 0.070 0.000 1.047 110 K CA 1.959 58.272 56.287 0.044 0.000 0.928 110 K CB -0.810 31.711 32.500 0.036 0.000 0.716 110 K HN 0.526 nan 8.250 nan 0.000 0.446 111 E N -0.500 119.757 120.200 0.095 0.000 2.482 111 E HA 0.122 4.472 4.350 -0.000 0.000 0.196 111 E C 0.826 177.557 176.600 0.219 0.000 1.047 111 E CA 0.312 56.834 56.400 0.202 0.000 0.869 111 E CB 0.078 29.916 29.700 0.230 0.000 0.836 111 E HN 0.516 nan 8.360 nan 0.000 0.520 112 L N 1.320 122.574 121.223 0.052 0.000 3.017 112 L HA 0.169 4.508 4.340 -0.000 0.000 0.255 112 L C 0.575 177.364 176.870 -0.135 0.000 1.247 112 L CA -0.268 54.461 54.840 -0.186 0.000 1.038 112 L CB -0.001 41.937 42.059 -0.202 0.000 1.380 112 L HN 0.033 nan 8.230 nan 0.000 0.548 113 T N -4.792 109.839 114.554 0.128 0.000 2.902 113 T HA 0.385 4.735 4.350 -0.000 0.000 0.280 113 T C 1.425 176.290 174.700 0.274 0.000 0.992 113 T CA 0.156 62.341 62.100 0.141 0.000 1.015 113 T CB 1.758 70.682 68.868 0.094 0.000 1.044 113 T HN 0.226 nan 8.240 nan 0.000 0.520 114 E N 0.409 120.718 120.200 0.182 0.000 2.070 114 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 114 E C 2.375 179.034 176.600 0.098 0.000 1.004 114 E CA 2.362 58.856 56.400 0.158 0.000 0.805 114 E CB -1.881 27.875 29.700 0.093 0.000 0.744 114 E HN 1.002 nan 8.360 nan 0.000 0.451 115 E N 0.561 120.804 120.200 0.070 0.000 2.265 115 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 115 E C 2.079 178.677 176.600 -0.002 0.000 0.996 115 E CA 1.355 57.769 56.400 0.024 0.000 0.832 115 E CB -0.513 29.195 29.700 0.013 0.000 0.756 115 E HN 0.599 nan 8.360 nan 0.000 0.491 116 Q N -1.061 118.763 119.800 0.040 0.000 2.172 116 Q HA 0.204 4.544 4.340 -0.000 0.000 0.200 116 Q C 1.281 177.217 176.000 -0.107 0.000 0.964 116 Q CA 0.965 56.759 55.803 -0.015 0.000 0.855 116 Q CB 0.140 28.977 28.738 0.164 0.000 0.918 116 Q HN 0.824 nan 8.270 nan 0.000 0.444 117 G N 1.178 109.859 108.800 -0.199 0.000 2.705 117 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.686 117 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.686 117 G C 0.319 174.824 174.900 -0.657 0.000 1.285 117 G CA -0.049 44.877 45.100 -0.290 0.000 0.800 117 G HN 0.336 nan 8.290 nan 0.000 0.611 118 R N 0.135 120.398 120.500 -0.395 0.000 2.189 118 R HA -0.002 4.338 4.340 -0.000 0.000 0.218 118 R C 1.309 177.548 176.300 -0.102 0.000 1.074 118 R CA 1.698 57.640 56.100 -0.262 0.000 0.991 118 R CB -0.109 30.192 30.300 0.001 0.000 0.883 118 R HN 0.473 nan 8.270 nan 0.000 0.457 119 D N 0.711 121.067 120.400 -0.074 0.000 2.117 119 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 119 D C 1.587 177.906 176.300 0.030 0.000 0.987 119 D CA 1.210 55.209 54.000 -0.002 0.000 0.829 119 D CB -0.315 40.491 40.800 0.009 0.000 0.961 119 D HN 0.261 nan 8.370 nan 0.000 0.460 120 Y N 1.225 121.451 120.300 -0.122 0.000 2.263 120 Y HA -0.154 4.396 4.550 -0.000 0.000 0.292 120 Y C 2.276 178.161 175.900 -0.026 0.000 1.130 120 Y CA 1.574 59.625 58.100 -0.081 0.000 1.179 120 Y CB -0.396 38.013 38.460 -0.085 0.000 0.998 120 Y HN 0.175 nan 8.280 nan 0.000 0.532 121 H N -1.284 117.778 119.070 -0.013 0.000 2.352 121 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 121 H C 2.305 177.573 175.328 -0.100 0.000 1.097 121 H CA 0.675 56.660 56.048 -0.106 0.000 1.311 121 H CB -0.135 29.708 29.762 0.135 0.000 1.377 121 H HN 0.435 nan 8.280 nan 0.000 0.504 122 A N 1.081 123.993 122.820 0.153 0.000 1.933 122 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 122 A C 2.396 179.982 177.584 0.004 0.000 1.175 122 A CA 1.968 54.091 52.037 0.142 0.000 0.628 122 A CB -0.985 18.074 19.000 0.099 0.000 0.814 122 A HN 0.619 nan 8.150 nan 0.000 0.444 123 E N -0.538 119.594 120.200 -0.114 0.000 2.077 123 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 123 E C 2.063 178.504 176.600 -0.267 0.000 0.989 123 E CA 1.591 57.887 56.400 -0.173 0.000 0.800 123 E CB -1.228 28.348 29.700 -0.208 0.000 0.746 123 E HN 0.395 nan 8.360 nan 0.000 0.452 124 V N -0.112 119.508 119.914 -0.489 0.000 2.255 124 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 124 V C 2.459 178.262 176.094 -0.485 0.000 1.051 124 V CA 2.158 64.095 62.300 -0.605 0.000 1.018 124 V CB -0.698 30.552 31.823 -0.954 0.000 0.641 124 V HN 0.615 nan 8.190 nan 0.000 0.445 125 F N 0.160 119.993 119.950 -0.195 0.000 2.163 125 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 125 F C 2.590 178.375 175.800 -0.025 0.000 1.094 125 F CA 1.201 59.140 58.000 -0.102 0.000 1.290 125 F CB -0.883 38.073 39.000 -0.073 0.000 1.017 125 F HN 0.126 nan 8.300 nan 0.000 0.483 126 Q N -0.448 119.430 119.800 0.130 0.000 2.167 126 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 126 Q C 2.084 178.121 176.000 0.061 0.000 0.970 126 Q CA 1.882 57.737 55.803 0.086 0.000 0.855 126 Q CB -0.457 28.316 28.738 0.057 0.000 0.911 126 Q HN 0.341 nan 8.270 nan 0.000 0.438 127 T N 0.112 114.677 114.554 0.018 0.000 2.737 127 T HA -0.195 4.155 4.350 -0.000 0.000 0.265 127 T C 1.947 176.683 174.700 0.059 0.000 1.038 127 T CA 1.098 63.208 62.100 0.017 0.000 1.144 127 T CB -0.594 68.252 68.868 -0.036 0.000 0.866 127 T HN 0.429 nan 8.240 nan 0.000 0.434 128 C N 1.520 120.871 119.300 0.085 0.000 2.398 128 C HA -0.127 4.333 4.460 -0.000 0.000 0.276 128 C C 3.121 178.190 174.990 0.132 0.000 1.222 128 C CA 1.509 60.614 59.018 0.145 0.000 1.746 128 C CB -1.364 26.548 27.740 0.286 0.000 2.039 128 C HN 0.542 nan 8.230 nan 0.000 0.470 129 S N -0.095 115.685 115.700 0.133 0.000 2.368 129 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 129 S C 2.090 176.747 174.600 0.096 0.000 1.030 129 S CA 1.621 59.885 58.200 0.106 0.000 0.999 129 S CB -0.296 62.961 63.200 0.095 0.000 0.844 129 S HN 0.716 nan 8.310 nan 0.000 0.459 130 K N 0.803 121.271 120.400 0.114 0.000 2.057 130 K HA 0.020 4.340 4.320 -0.000 0.000 0.207 130 K C 2.292 179.071 176.600 0.298 0.000 1.049 130 K CA 1.111 57.506 56.287 0.180 0.000 0.931 130 K CB -1.473 31.145 32.500 0.196 0.000 0.714 130 K HN 0.510 nan 8.250 nan 0.000 0.440 131 V N -0.086 119.937 119.914 0.182 0.000 2.427 131 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 131 V C 2.288 178.463 176.094 0.134 0.000 1.051 131 V CA 2.297 64.681 62.300 0.139 0.000 1.048 131 V CB -0.567 31.293 31.823 0.063 0.000 0.666 131 V HN 0.239 nan 8.190 nan 0.000 0.456 132 M N -0.762 118.898 119.600 0.101 0.000 2.175 132 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 132 M C 2.266 178.588 176.300 0.036 0.000 1.063 132 M CA 1.339 56.678 55.300 0.065 0.000 1.119 132 M CB -0.800 31.833 32.600 0.056 0.000 1.377 132 M HN 0.486 nan 8.290 nan 0.000 0.415 133 M N -1.302 118.317 119.600 0.033 0.000 2.175 133 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 133 M C 2.077 178.342 176.300 -0.060 0.000 1.063 133 M CA 1.593 56.868 55.300 -0.043 0.000 1.119 133 M CB -1.492 31.064 32.600 -0.074 0.000 1.377 133 M HN 0.317 nan 8.290 nan 0.000 0.415 134 H N 0.249 119.326 119.070 0.010 0.000 2.321 134 H HA -0.015 4.541 4.556 -0.000 0.000 0.300 134 H C 2.127 177.502 175.328 0.078 0.000 1.087 134 H CA 1.762 57.835 56.048 0.043 0.000 1.319 134 H CB -0.067 29.729 29.762 0.058 0.000 1.379 134 H HN 0.237 nan 8.280 nan 0.000 0.501 135 I N 0.067 120.732 120.570 0.159 0.000 2.163 135 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 135 I C 2.587 178.722 176.117 0.031 0.000 1.085 135 I CA 1.486 62.834 61.300 0.080 0.000 1.347 135 I CB -0.219 37.801 38.000 0.034 0.000 1.044 135 I HN 0.174 nan 8.210 nan 0.000 0.408 136 R N 0.910 121.370 120.500 -0.067 0.000 2.115 136 R HA -0.089 4.251 4.340 -0.000 0.000 0.230 136 R C 1.557 177.718 176.300 -0.232 0.000 1.111 136 R CA 1.294 57.232 56.100 -0.269 0.000 0.976 136 R CB -0.005 30.071 30.300 -0.372 0.000 0.870 136 R HN 0.383 nan 8.270 nan 0.000 0.445 137 N N -0.113 118.527 118.700 -0.099 0.000 2.270 137 N HA -0.078 4.662 4.740 -0.000 0.000 0.198 137 N C -0.493 175.027 175.510 0.016 0.000 1.117 137 N CA 0.084 53.100 53.050 -0.057 0.000 0.845 137 N CB 0.134 38.560 38.487 -0.102 0.000 0.980 137 N HN 0.277 nan 8.380 nan 0.000 0.486 138 H N 2.024 121.090 119.070 -0.008 0.000 2.815 138 H HA 0.056 4.612 4.556 -0.000 0.000 0.350 138 H C -1.348 173.997 175.328 0.028 0.000 1.080 138 H CA -0.909 55.155 56.048 0.026 0.000 1.433 138 H CB 1.718 31.502 29.762 0.036 0.000 1.432 138 H HN -0.081 nan 8.280 nan 0.000 0.592 139 P HA -0.169 nan 4.420 nan 0.000 0.216 139 P C 0.156 177.519 177.300 0.105 0.000 1.150 139 P CA 1.380 64.458 63.100 -0.035 0.000 0.843 139 P CB 0.149 31.770 31.700 -0.132 0.000 0.787 140 V N -6.850 113.245 119.914 0.301 0.000 2.881 140 V HA 0.653 4.773 4.120 -0.000 0.000 0.316 140 V C -2.877 173.310 176.094 0.154 0.000 1.070 140 V CA -3.224 59.196 62.300 0.199 0.000 0.976 140 V CB 1.333 33.253 31.823 0.161 0.000 1.038 140 V HN -0.286 nan 8.190 nan 0.000 0.446 141 P HA 0.346 nan 4.420 nan 0.000 0.271 141 P C -0.861 176.432 177.300 -0.011 0.000 1.218 141 P CA -0.035 63.083 63.100 0.030 0.000 0.780 141 P CB 0.876 32.577 31.700 0.002 0.000 0.901 142 V N 4.568 124.473 119.914 -0.015 0.000 2.448 142 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 142 V C 0.235 176.322 176.094 -0.012 0.000 1.025 142 V CA -0.474 61.802 62.300 -0.040 0.000 0.859 142 V CB 1.389 33.173 31.823 -0.065 0.000 0.988 142 V HN 0.364 nan 8.190 nan 0.000 0.431 143 I N 3.632 124.197 120.570 -0.009 0.000 2.377 143 I HA 0.674 4.844 4.170 -0.000 0.000 0.293 143 I C 0.519 176.648 176.117 0.021 0.000 0.987 143 I CA -0.608 60.692 61.300 0.000 0.000 1.185 143 I CB 1.828 39.827 38.000 -0.003 0.000 1.341 143 I HN 0.674 nan 8.210 nan 0.000 0.455 144 A N 7.743 130.570 122.820 0.012 0.000 2.309 144 A HA 0.572 4.892 4.320 -0.000 0.000 0.290 144 A C -0.308 177.270 177.584 -0.009 0.000 1.206 144 A CA -0.345 51.700 52.037 0.014 0.000 0.850 144 A CB 0.504 19.471 19.000 -0.055 0.000 1.118 144 A HN 0.821 nan 8.150 nan 0.000 0.523 145 M N 4.707 124.339 119.600 0.054 0.000 2.044 145 M HA 0.449 4.929 4.480 -0.000 0.000 0.333 145 M C -1.674 174.658 176.300 0.053 0.000 1.004 145 M CA -0.388 54.940 55.300 0.047 0.000 0.954 145 M CB 0.758 33.403 32.600 0.076 0.000 1.468 145 M HN 0.379 nan 8.290 nan 0.000 0.414 146 V N 4.758 124.627 119.914 -0.076 0.000 2.398 146 V HA 0.428 4.548 4.120 -0.000 0.000 0.286 146 V C -0.266 175.825 176.094 -0.004 0.000 1.026 146 V CA -0.692 61.523 62.300 -0.141 0.000 0.868 146 V CB 1.584 33.219 31.823 -0.314 0.000 0.982 146 V HN 0.800 nan 8.190 nan 0.000 0.443 147 N N 3.341 122.075 118.700 0.057 0.000 2.791 147 N HA 0.609 5.349 4.740 -0.000 0.000 0.265 147 N C 0.004 175.521 175.510 0.011 0.000 1.580 147 N CA 0.856 53.923 53.050 0.028 0.000 0.809 147 N CB 1.145 39.658 38.487 0.044 0.000 1.178 147 N HN 1.029 nan 8.380 nan 0.000 0.499 148 G N 0.436 109.203 108.800 -0.056 0.000 2.240 148 G HA2 0.015 3.975 3.960 -0.000 0.000 0.199 148 G HA3 0.015 3.975 3.960 -0.000 0.000 0.199 148 G C -1.864 172.925 174.900 -0.185 0.000 1.342 148 G CA -0.772 44.280 45.100 -0.081 0.000 1.145 148 G HN 0.330 nan 8.290 nan 0.000 0.477 149 L N 1.610 122.756 121.223 -0.128 0.000 2.275 149 L HA 0.836 5.176 4.340 -0.000 0.000 0.288 149 L C 0.485 177.287 176.870 -0.112 0.000 1.046 149 L CA 0.124 54.857 54.840 -0.180 0.000 0.805 149 L CB 0.908 42.907 42.059 -0.100 0.000 1.193 149 L HN 1.591 nan 8.230 nan 0.000 0.426 150 A N 3.521 126.200 122.820 -0.234 0.000 2.310 150 A HA 0.723 5.043 4.320 -0.000 0.000 0.304 150 A C -0.274 177.306 177.584 -0.007 0.000 1.231 150 A CA -0.042 51.980 52.037 -0.025 0.000 0.799 150 A CB 0.587 19.555 19.000 -0.054 0.000 1.162 150 A HN 0.764 nan 8.150 nan 0.000 0.486 151 T N -0.440 114.129 114.554 0.026 0.000 2.907 151 T HA 0.824 5.174 4.350 -0.000 0.000 0.292 151 T C 0.599 175.307 174.700 0.012 0.000 1.043 151 T CA 0.531 62.640 62.100 0.016 0.000 1.003 151 T CB 1.395 70.259 68.868 -0.008 0.000 1.084 151 T HN 2.553 nan 8.240 nan 0.000 0.483 152 A N 2.099 124.923 122.820 0.006 0.000 5.382 152 A HA -0.098 4.222 4.320 -0.000 0.000 0.307 152 A C 2.042 179.618 177.584 -0.013 0.000 1.937 152 A CA 1.924 53.959 52.037 -0.004 0.000 0.715 152 A CB -2.166 16.834 19.000 -0.000 0.000 1.293 152 A HN 2.400 nan 8.150 nan 0.000 0.374 153 A N -1.073 121.694 122.820 -0.090 0.000 2.070 153 A HA 0.266 4.586 4.320 -0.000 0.000 0.220 153 A C 2.695 180.240 177.584 -0.065 0.000 1.159 153 A CA 2.260 54.205 52.037 -0.154 0.000 0.656 153 A CB -1.416 17.223 19.000 -0.602 0.000 0.800 153 A HN 2.357 nan 8.150 nan 0.000 0.453 154 G N -1.271 107.515 108.800 -0.022 0.000 2.408 154 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 154 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 154 G C 1.692 176.710 174.900 0.197 0.000 1.150 154 G CA 1.129 46.296 45.100 0.111 0.000 0.776 154 G HN 0.551 nan 8.290 nan 0.000 0.542 155 C N -0.151 119.224 119.300 0.125 0.000 2.446 155 C HA 0.011 4.471 4.460 -0.000 0.000 0.277 155 C C 2.731 177.782 174.990 0.100 0.000 1.275 155 C CA 1.509 60.613 59.018 0.143 0.000 1.727 155 C CB -0.819 26.993 27.740 0.120 0.000 2.010 155 C HN 0.594 nan 8.230 nan 0.000 0.486 156 Q N -0.226 119.616 119.800 0.069 0.000 2.045 156 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 156 Q C 2.159 178.202 176.000 0.072 0.000 0.991 156 Q CA 2.186 58.024 55.803 0.058 0.000 0.851 156 Q CB -0.372 28.397 28.738 0.051 0.000 0.911 156 Q HN 0.645 nan 8.270 nan 0.000 0.418 157 L N 0.194 121.478 121.223 0.102 0.000 2.013 157 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 157 L C 2.243 179.185 176.870 0.120 0.000 1.073 157 L CA 1.630 56.548 54.840 0.131 0.000 0.753 157 L CB -0.804 41.378 42.059 0.205 0.000 0.890 157 L HN 0.148 nan 8.230 nan 0.000 0.432 158 V N 0.121 120.098 119.914 0.105 0.000 2.255 158 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 158 V C 2.806 178.896 176.094 -0.007 0.000 1.051 158 V CA 1.821 64.124 62.300 0.005 0.000 1.018 158 V CB -1.547 30.261 31.823 -0.025 0.000 0.641 158 V HN 0.627 nan 8.190 nan 0.000 0.445 159 A N -0.360 122.462 122.820 0.002 0.000 1.978 159 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 159 A C 2.387 179.983 177.584 0.021 0.000 1.170 159 A CA 2.213 54.247 52.037 -0.005 0.000 0.636 159 A CB -0.576 18.425 19.000 0.001 0.000 0.810 159 A HN 0.542 nan 8.150 nan 0.000 0.448 160 S N -1.249 114.471 115.700 0.034 0.000 2.489 160 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 160 S C 0.859 175.479 174.600 0.034 0.000 0.995 160 S CA 0.163 58.384 58.200 0.034 0.000 0.934 160 S CB -0.576 62.647 63.200 0.038 0.000 0.771 160 S HN 0.636 nan 8.310 nan 0.000 0.522 161 C N 2.816 122.136 119.300 0.034 0.000 2.649 161 C HA 0.133 4.593 4.460 -0.000 0.000 0.377 161 C C 1.825 176.844 174.990 0.048 0.000 1.321 161 C CA -0.713 58.324 59.018 0.032 0.000 2.368 161 C CB 0.080 27.832 27.740 0.020 0.000 2.597 161 C HN 0.506 nan 8.230 nan 0.000 0.678 162 D N 0.272 120.703 120.400 0.052 0.000 2.137 162 D HA 0.087 4.727 4.640 -0.000 0.000 0.202 162 D C 0.345 176.644 176.300 -0.002 0.000 0.970 162 D CA 1.475 55.513 54.000 0.063 0.000 0.837 162 D CB 0.192 41.025 40.800 0.056 0.000 0.981 162 D HN 0.487 nan 8.370 nan 0.000 0.475 163 I N -0.064 120.497 120.570 -0.016 0.000 2.689 163 I HA 0.475 4.645 4.170 -0.000 0.000 0.299 163 I C -0.780 175.316 176.117 -0.035 0.000 1.059 163 I CA -0.939 60.340 61.300 -0.035 0.000 1.055 163 I CB 2.459 40.436 38.000 -0.039 0.000 1.243 163 I HN -0.212 nan 8.210 nan 0.000 0.425 164 A N 5.096 127.885 122.820 -0.052 0.000 2.375 164 A HA 0.806 5.126 4.320 -0.000 0.000 0.295 164 A C -1.221 176.327 177.584 -0.060 0.000 1.066 164 A CA -0.498 51.500 52.037 -0.065 0.000 0.722 164 A CB 1.316 20.254 19.000 -0.103 0.000 1.206 164 A HN 0.380 nan 8.150 nan 0.000 0.435 165 V N 1.212 121.102 119.914 -0.041 0.000 2.555 165 V HA 0.871 4.991 4.120 -0.000 0.000 0.302 165 V C 0.383 176.474 176.094 -0.004 0.000 1.038 165 V CA -0.149 62.138 62.300 -0.022 0.000 0.887 165 V CB 1.348 33.164 31.823 -0.011 0.000 0.991 165 V HN 1.397 nan 8.190 nan 0.000 0.434 166 A N 2.805 125.638 122.820 0.022 0.000 2.515 166 A HA 0.888 5.208 4.320 -0.000 0.000 0.296 166 A C -0.076 177.536 177.584 0.047 0.000 1.094 166 A CA -0.422 51.653 52.037 0.063 0.000 0.718 166 A CB 1.869 20.989 19.000 0.200 0.000 1.307 166 A HN 1.094 nan 8.150 nan 0.000 0.408 167 S N 0.115 115.838 115.700 0.038 0.000 2.580 167 S HA 0.306 4.776 4.470 -0.000 0.000 0.274 167 S C 0.492 175.114 174.600 0.038 0.000 1.329 167 S CA 0.308 58.524 58.200 0.027 0.000 1.036 167 S CB 0.945 64.154 63.200 0.014 0.000 0.919 167 S HN 0.763 nan 8.310 nan 0.000 0.515 168 D N 1.554 121.971 120.400 0.029 0.000 2.265 168 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 168 D C 1.666 177.983 176.300 0.028 0.000 0.977 168 D CA 1.699 55.719 54.000 0.033 0.000 0.871 168 D CB -0.595 40.217 40.800 0.020 0.000 0.925 168 D HN 0.696 nan 8.370 nan 0.000 0.485 169 K N 0.576 120.983 120.400 0.011 0.000 2.432 169 K HA 0.146 4.466 4.320 -0.000 0.000 0.196 169 K C 1.364 177.946 176.600 -0.030 0.000 1.038 169 K CA 0.422 56.706 56.287 -0.005 0.000 0.986 169 K CB -0.542 31.952 32.500 -0.009 0.000 0.782 169 K HN 0.260 nan 8.250 nan 0.000 0.485 170 S N 0.992 116.670 115.700 -0.037 0.000 2.576 170 S HA 0.371 4.841 4.470 -0.000 0.000 0.272 170 S C 0.371 174.853 174.600 -0.196 0.000 1.352 170 S CA 0.155 58.264 58.200 -0.150 0.000 1.021 170 S CB 0.849 63.964 63.200 -0.143 0.000 0.887 170 S HN 0.871 nan 8.310 nan 0.000 0.542 171 S N 0.673 116.075 115.700 -0.496 0.000 2.550 171 S HA 0.772 5.242 4.470 -0.000 0.000 0.270 171 S C -1.558 172.625 174.600 -0.695 0.000 1.145 171 S CA -0.940 57.041 58.200 -0.364 0.000 0.852 171 S CB 0.688 63.812 63.200 -0.128 0.000 1.119 171 S HN 0.395 nan 8.310 nan 0.000 0.465 172 F N 0.772 120.709 119.950 -0.022 0.000 2.547 172 F HA 0.895 5.422 4.527 -0.000 0.000 0.316 172 F C 0.370 176.155 175.800 -0.025 0.000 1.121 172 F CA -0.352 57.632 58.000 -0.028 0.000 0.911 172 F CB 2.256 41.233 39.000 -0.039 0.000 1.179 172 F HN 1.097 nan 8.300 nan 0.000 0.443 173 A N 0.757 123.637 122.820 0.099 0.000 2.587 173 A HA 0.820 5.140 4.320 -0.000 0.000 0.293 173 A C -0.789 176.804 177.584 0.015 0.000 1.087 173 A CA -0.771 51.291 52.037 0.042 0.000 0.692 173 A CB 1.567 20.571 19.000 0.007 0.000 1.291 173 A HN 0.774 nan 8.150 nan 0.000 0.407 174 T N -0.461 114.075 114.554 -0.028 0.000 3.327 174 T HA 0.585 4.935 4.350 -0.000 0.000 0.373 174 T C -2.594 172.037 174.700 -0.114 0.000 1.589 174 T CA -1.264 60.793 62.100 -0.072 0.000 1.497 174 T CB 0.974 69.779 68.868 -0.104 0.000 1.032 174 T HN 0.316 nan 8.240 nan 0.000 0.640 175 P HA 0.251 nan 4.420 nan 0.000 0.263 175 P C 1.675 178.936 177.300 -0.065 0.000 1.448 175 P CA -0.225 62.834 63.100 -0.067 0.000 0.983 175 P CB -0.010 31.671 31.700 -0.032 0.000 1.481 176 G N 1.696 110.445 108.800 -0.085 0.000 2.503 176 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.221 176 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.221 176 G C 1.526 176.403 174.900 -0.039 0.000 1.131 176 G CA 1.447 46.519 45.100 -0.047 0.000 0.756 176 G HN 0.276 nan 8.290 nan 0.000 0.572 177 V N 0.005 119.857 119.914 -0.104 0.000 2.370 177 V HA -0.280 3.840 4.120 -0.000 0.000 0.252 177 V C 2.341 178.448 176.094 0.022 0.000 1.068 177 V CA 2.208 64.500 62.300 -0.013 0.000 1.061 177 V CB -0.731 31.083 31.823 -0.015 0.000 0.656 177 V HN 0.267 nan 8.190 nan 0.000 0.455 178 N N 1.428 120.130 118.700 0.002 0.000 2.309 178 N HA -0.058 4.682 4.740 -0.000 0.000 0.182 178 N C 1.473 176.995 175.510 0.021 0.000 1.018 178 N CA 1.850 54.908 53.050 0.013 0.000 0.876 178 N CB -0.254 38.235 38.487 0.004 0.000 0.972 178 N HN 0.744 nan 8.380 nan 0.000 0.434 179 V N -3.406 116.521 119.914 0.023 0.000 3.170 179 V HA 0.556 4.676 4.120 -0.000 0.000 0.354 179 V C 1.214 177.333 176.094 0.042 0.000 1.350 179 V CA 0.122 62.440 62.300 0.031 0.000 1.244 179 V CB -0.186 31.656 31.823 0.032 0.000 1.222 179 V HN 0.236 nan 8.190 nan 0.000 0.478 180 G N 0.891 109.720 108.800 0.049 0.000 2.189 180 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 180 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 180 G C -0.167 174.782 174.900 0.081 0.000 0.975 180 G CA 0.616 45.753 45.100 0.062 0.000 0.644 180 G HN 1.073 nan 8.290 nan 0.000 0.537 181 L N 0.662 121.935 121.223 0.084 0.000 2.417 181 L HA 0.755 5.095 4.340 -0.000 0.000 0.259 181 L C 0.125 177.067 176.870 0.121 0.000 1.023 181 L CA -1.451 53.450 54.840 0.102 0.000 0.901 181 L CB 0.366 42.479 42.059 0.090 0.000 1.227 181 L HN 0.150 nan 8.230 nan 0.000 0.454 182 F N 3.979 123.942 119.950 0.021 0.000 2.604 182 F HA -0.074 4.453 4.527 -0.000 0.000 0.390 182 F C 0.981 176.783 175.800 0.003 0.000 1.053 182 F CA 0.535 58.550 58.000 0.023 0.000 1.256 182 F CB 0.400 39.416 39.000 0.027 0.000 0.996 182 F HN 0.539 nan 8.300 nan 0.000 0.564 183 C N 6.623 125.802 119.300 -0.203 0.000 3.031 183 C HA 0.033 4.493 4.460 -0.000 0.000 0.489 183 C C 1.798 176.848 174.990 0.101 0.000 1.020 183 C CA 0.145 59.126 59.018 -0.062 0.000 1.104 183 C CB -2.373 25.278 27.740 -0.149 0.000 1.470 183 C HN 0.945 nan 8.230 nan 0.000 0.583 184 S N 1.739 117.567 115.700 0.213 0.000 2.336 184 S HA -0.129 4.341 4.470 -0.000 0.000 0.216 184 S C 2.244 176.884 174.600 0.066 0.000 1.032 184 S CA 1.918 60.228 58.200 0.183 0.000 0.973 184 S CB -0.322 62.930 63.200 0.086 0.000 0.888 184 S HN 0.906 nan 8.310 nan 0.000 0.455 185 T N 1.214 115.779 114.554 0.019 0.000 2.720 185 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 185 T C -0.915 173.824 174.700 0.064 0.000 1.037 185 T CA 1.191 63.316 62.100 0.041 0.000 1.144 185 T CB -2.069 66.842 68.868 0.072 0.000 0.864 185 T HN 0.271 nan 8.240 nan 0.000 0.444 186 P HA 0.017 nan 4.420 nan 0.000 0.218 186 P C 1.830 179.146 177.300 0.026 0.000 1.148 186 P CA 1.369 64.496 63.100 0.045 0.000 0.822 186 P CB -0.727 30.990 31.700 0.029 0.000 0.784 187 G N -0.588 108.230 108.800 0.031 0.000 2.509 187 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 187 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 187 G C 1.531 176.441 174.900 0.018 0.000 1.124 187 G CA 0.300 45.414 45.100 0.023 0.000 0.776 187 G HN 0.161 nan 8.290 nan 0.000 0.547 188 V N 1.448 121.376 119.914 0.024 0.000 2.237 188 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 188 V C 3.296 179.400 176.094 0.017 0.000 1.046 188 V CA 2.128 64.439 62.300 0.018 0.000 1.007 188 V CB -0.916 30.921 31.823 0.022 0.000 0.638 188 V HN 0.446 nan 8.190 nan 0.000 0.445 189 A N -0.389 122.444 122.820 0.022 0.000 1.877 189 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 189 A C 2.165 179.755 177.584 0.010 0.000 1.186 189 A CA 2.159 54.209 52.037 0.022 0.000 0.620 189 A CB -0.647 18.369 19.000 0.028 0.000 0.822 189 A HN 0.440 nan 8.150 nan 0.000 0.443 190 L N -0.313 120.910 121.223 0.001 0.000 2.083 190 L HA -0.029 4.311 4.340 -0.000 0.000 0.209 190 L C 2.667 179.525 176.870 -0.022 0.000 1.083 190 L CA 2.037 56.867 54.840 -0.017 0.000 0.752 190 L CB -0.647 41.395 42.059 -0.027 0.000 0.899 190 L HN 0.344 nan 8.230 nan 0.000 0.433 191 A N -0.652 122.158 122.820 -0.016 0.000 2.019 191 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 191 A C 2.249 179.828 177.584 -0.008 0.000 1.164 191 A CA 1.535 53.561 52.037 -0.018 0.000 0.644 191 A CB -0.494 18.497 19.000 -0.014 0.000 0.805 191 A HN 0.506 nan 8.150 nan 0.000 0.449 192 R N -1.278 119.224 120.500 0.004 0.000 2.334 192 R HA 0.367 4.707 4.340 -0.000 0.000 0.220 192 R C 1.452 177.765 176.300 0.022 0.000 0.917 192 R CA 0.513 56.624 56.100 0.018 0.000 1.073 192 R CB 0.131 30.452 30.300 0.034 0.000 1.056 192 R HN 0.488 nan 8.270 nan 0.000 0.506 193 A N 0.296 123.118 122.820 0.004 0.000 1.995 193 A HA 0.187 4.507 4.320 -0.000 0.000 0.200 193 A C 0.688 178.267 177.584 -0.007 0.000 1.566 193 A CA 0.132 52.167 52.037 -0.004 0.000 0.895 193 A CB 0.388 19.374 19.000 -0.024 0.000 1.046 193 A HN 0.073 nan 8.150 nan 0.000 0.523 194 V N -2.682 117.221 119.914 -0.019 0.000 2.881 194 V HA 0.677 4.797 4.120 -0.000 0.000 0.316 194 V C -3.154 172.919 176.094 -0.035 0.000 1.070 194 V CA -2.770 59.518 62.300 -0.021 0.000 0.976 194 V CB 0.973 32.764 31.823 -0.054 0.000 1.038 194 V HN 0.137 nan 8.190 nan 0.000 0.446 195 P HA 0.296 nan 4.420 nan 0.000 0.268 195 P C 0.487 177.745 177.300 -0.070 0.000 1.208 195 P CA -0.071 63.000 63.100 -0.049 0.000 0.777 195 P CB 0.431 32.098 31.700 -0.054 0.000 0.875 196 R N 1.092 121.562 120.500 -0.049 0.000 2.103 196 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 196 R C 1.848 178.109 176.300 -0.064 0.000 1.142 196 R CA 1.648 57.717 56.100 -0.052 0.000 0.960 196 R CB -0.388 29.895 30.300 -0.029 0.000 0.858 196 R HN 0.344 nan 8.270 nan 0.000 0.439 197 K N 0.095 120.460 120.400 -0.058 0.000 2.103 197 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 197 K C 1.876 178.422 176.600 -0.090 0.000 1.048 197 K CA 1.189 57.444 56.287 -0.054 0.000 0.930 197 K CB -0.210 32.262 32.500 -0.048 0.000 0.716 197 K HN 0.004 nan 8.250 nan 0.000 0.444 198 V N 0.065 119.886 119.914 -0.155 0.000 2.346 198 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 198 V C 2.161 178.173 176.094 -0.135 0.000 1.037 198 V CA 1.668 63.850 62.300 -0.196 0.000 1.029 198 V CB -0.696 30.907 31.823 -0.366 0.000 0.663 198 V HN 0.336 nan 8.190 nan 0.000 0.454 199 A N 0.047 122.792 122.820 -0.125 0.000 1.883 199 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 199 A C 2.220 179.708 177.584 -0.160 0.000 1.186 199 A CA 2.006 53.973 52.037 -0.117 0.000 0.624 199 A CB -0.610 18.333 19.000 -0.095 0.000 0.822 199 A HN 0.489 nan 8.150 nan 0.000 0.444 200 L N -1.126 119.989 121.223 -0.181 0.000 2.156 200 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 200 L C 2.605 179.326 176.870 -0.248 0.000 1.095 200 L CA 1.429 56.065 54.840 -0.342 0.000 0.770 200 L CB -0.356 41.538 42.059 -0.275 0.000 0.914 200 L HN 0.591 nan 8.230 nan 0.000 0.439 201 E N 0.319 120.479 120.200 -0.066 0.000 2.110 201 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 201 E C 2.299 178.893 176.600 -0.011 0.000 0.988 201 E CA 1.166 57.580 56.400 0.023 0.000 0.804 201 E CB 0.034 29.742 29.700 0.014 0.000 0.745 201 E HN 0.432 nan 8.360 nan 0.000 0.458 202 M N 0.099 119.657 119.600 -0.070 0.000 2.099 202 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 202 M C 2.334 178.554 176.300 -0.134 0.000 1.067 202 M CA 1.253 56.508 55.300 -0.076 0.000 1.124 202 M CB -0.133 32.423 32.600 -0.075 0.000 1.353 202 M HN 0.172 nan 8.290 nan 0.000 0.410 203 L N -1.182 119.902 121.223 -0.232 0.000 2.093 203 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 203 L C 2.175 178.830 176.870 -0.359 0.000 1.085 203 L CA 0.954 55.541 54.840 -0.422 0.000 0.755 203 L CB -0.402 41.394 42.059 -0.439 0.000 0.904 203 L HN 0.174 nan 8.230 nan 0.000 0.435 204 F N -0.499 119.413 119.950 -0.062 0.000 2.219 204 F HA -0.087 4.440 4.527 -0.000 0.000 0.294 204 F C 2.842 178.633 175.800 -0.015 0.000 1.086 204 F CA 1.385 59.401 58.000 0.027 0.000 1.330 204 F CB -1.249 37.803 39.000 0.087 0.000 1.047 204 F HN 0.138 nan 8.300 nan 0.000 0.495 205 T N -3.546 111.100 114.554 0.154 0.000 3.009 205 T HA 0.300 4.650 4.350 -0.000 0.000 0.258 205 T C 1.930 176.644 174.700 0.023 0.000 1.063 205 T CA 0.881 63.028 62.100 0.079 0.000 1.139 205 T CB -0.261 68.645 68.868 0.063 0.000 0.890 205 T HN 0.413 nan 8.240 nan 0.000 0.471 206 G N 0.830 109.620 108.800 -0.017 0.000 2.162 206 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.260 206 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.260 206 G C 0.060 174.950 174.900 -0.018 0.000 0.976 206 G CA 0.688 45.763 45.100 -0.041 0.000 0.655 206 G HN 1.167 nan 8.290 nan 0.000 0.533 207 E N 1.200 121.399 120.200 -0.003 0.000 2.354 207 E HA 0.649 4.999 4.350 -0.000 0.000 0.269 207 E C -1.590 175.016 176.600 0.010 0.000 1.036 207 E CA -0.936 55.468 56.400 0.007 0.000 0.876 207 E CB 0.232 29.941 29.700 0.015 0.000 1.009 207 E HN 0.405 nan 8.360 nan 0.000 0.416 208 P HA 0.417 nan 4.420 nan 0.000 0.277 208 P C -0.145 177.187 177.300 0.054 0.000 1.240 208 P CA -0.404 62.715 63.100 0.032 0.000 0.798 208 P CB 0.641 32.350 31.700 0.016 0.000 0.979 209 I N -1.301 119.327 120.570 0.097 0.000 2.607 209 I HA 0.580 4.750 4.170 -0.000 0.000 0.305 209 I C 0.258 176.480 176.117 0.176 0.000 0.995 209 I CA -0.880 60.493 61.300 0.121 0.000 1.148 209 I CB 1.970 40.039 38.000 0.115 0.000 1.323 209 I HN 0.322 nan 8.210 nan 0.000 0.461 210 S N 3.912 119.698 115.700 0.144 0.000 2.655 210 S HA 0.552 5.022 4.470 -0.000 0.000 0.265 210 S C 1.187 175.930 174.600 0.237 0.000 1.240 210 S CA -0.167 58.125 58.200 0.153 0.000 0.986 210 S CB 1.471 64.722 63.200 0.085 0.000 0.985 210 S HN 0.958 nan 8.310 nan 0.000 0.562 211 A N 0.457 123.422 122.820 0.241 0.000 1.902 211 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 211 A C 2.626 180.257 177.584 0.080 0.000 1.181 211 A CA 2.112 54.305 52.037 0.260 0.000 0.623 211 A CB -1.968 17.164 19.000 0.220 0.000 0.818 211 A HN 1.186 nan 8.150 nan 0.000 0.443 212 Q N -0.112 119.721 119.800 0.054 0.000 2.084 212 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 212 Q C 1.833 177.824 176.000 -0.015 0.000 0.978 212 Q CA 1.967 57.774 55.803 0.007 0.000 0.844 212 Q CB -0.871 27.872 28.738 0.008 0.000 0.898 212 Q HN 0.876 nan 8.270 nan 0.000 0.426 213 E N 0.091 120.306 120.200 0.025 0.000 2.051 213 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 213 E C 2.406 179.033 176.600 0.046 0.000 0.991 213 E CA 0.985 57.416 56.400 0.051 0.000 0.799 213 E CB -0.223 29.542 29.700 0.108 0.000 0.748 213 E HN 0.676 nan 8.360 nan 0.000 0.449 214 A N 1.008 123.823 122.820 -0.009 0.000 1.933 214 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 214 A C 2.155 179.643 177.584 -0.159 0.000 1.175 214 A CA 1.001 52.952 52.037 -0.145 0.000 0.628 214 A CB -0.456 18.265 19.000 -0.464 0.000 0.814 214 A HN 0.218 nan 8.150 nan 0.000 0.444 215 L N -0.253 120.890 121.223 -0.134 0.000 2.056 215 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 215 L C 2.751 179.543 176.870 -0.131 0.000 1.078 215 L CA 2.101 56.869 54.840 -0.121 0.000 0.749 215 L CB -0.552 41.455 42.059 -0.086 0.000 0.901 215 L HN 0.352 nan 8.230 nan 0.000 0.433 216 L N -2.154 118.960 121.223 -0.181 0.000 2.191 216 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 216 L C 2.300 178.926 176.870 -0.407 0.000 1.103 216 L CA 2.190 56.843 54.840 -0.311 0.000 0.769 216 L CB -1.668 40.137 42.059 -0.422 0.000 0.908 216 L HN 0.592 nan 8.230 nan 0.000 0.438 217 H N -1.408 117.627 119.070 -0.058 0.000 2.652 217 H HA 0.423 4.979 4.556 -0.000 0.000 0.274 217 H C 1.796 177.086 175.328 -0.064 0.000 1.021 217 H CA 0.503 56.519 56.048 -0.054 0.000 1.187 217 H CB 0.707 30.438 29.762 -0.052 0.000 1.505 217 H HN 0.648 nan 8.280 nan 0.000 0.530 218 G N 1.346 110.142 108.800 -0.006 0.000 2.163 218 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.213 218 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.213 218 G C 1.015 175.876 174.900 -0.064 0.000 0.991 218 G CA 0.423 45.504 45.100 -0.031 0.000 0.653 218 G HN 0.344 nan 8.290 nan 0.000 0.518 219 L N 0.110 121.266 121.223 -0.112 0.000 2.240 219 L HA 0.532 4.872 4.340 -0.000 0.000 0.211 219 L C 1.032 177.752 176.870 -0.249 0.000 1.106 219 L CA 1.371 56.095 54.840 -0.193 0.000 0.793 219 L CB -0.055 41.830 42.059 -0.290 0.000 0.927 219 L HN 0.356 nan 8.230 nan 0.000 0.446 220 L N -1.872 119.210 121.223 -0.234 0.000 2.341 220 L HA 0.367 4.707 4.340 -0.000 0.000 0.267 220 L C 1.200 177.998 176.870 -0.119 0.000 1.009 220 L CA -0.446 54.275 54.840 -0.199 0.000 0.819 220 L CB 1.770 43.690 42.059 -0.231 0.000 1.323 220 L HN -0.276 nan 8.230 nan 0.000 0.425 221 S N -0.540 115.105 115.700 -0.092 0.000 2.388 221 S HA 0.025 4.495 4.470 -0.000 0.000 0.223 221 S C 0.241 174.806 174.600 -0.059 0.000 1.034 221 S CA 0.435 58.594 58.200 -0.069 0.000 0.963 221 S CB 0.187 63.352 63.200 -0.059 0.000 0.827 221 S HN 0.452 nan 8.310 nan 0.000 0.481 222 K N 0.661 121.029 120.400 -0.053 0.000 2.498 222 K HA 0.667 4.987 4.320 -0.000 0.000 0.254 222 K C -1.453 175.131 176.600 -0.027 0.000 0.933 222 K CA -0.658 55.607 56.287 -0.037 0.000 0.806 222 K CB 2.244 34.728 32.500 -0.026 0.000 1.301 222 K HN -0.022 nan 8.250 nan 0.000 0.432 223 V N 2.253 122.156 119.914 -0.018 0.000 2.482 223 V HA 0.604 4.724 4.120 -0.000 0.000 0.295 223 V C -0.338 175.757 176.094 0.001 0.000 1.026 223 V CA -0.623 61.677 62.300 -0.000 0.000 0.856 223 V CB 1.562 33.387 31.823 0.002 0.000 1.001 223 V HN 0.745 nan 8.190 nan 0.000 0.424 224 V N 3.717 123.635 119.914 0.008 0.000 3.126 224 V HA 0.812 4.932 4.120 -0.000 0.000 0.314 224 V C -2.861 173.238 176.094 0.010 0.000 1.138 224 V CA -3.074 59.230 62.300 0.006 0.000 1.034 224 V CB 2.223 34.048 31.823 0.004 0.000 1.075 224 V HN 0.582 nan 8.190 nan 0.000 0.442 225 P HA 0.144 nan 4.420 nan 0.000 0.269 225 P C 0.747 178.052 177.300 0.009 0.000 1.209 225 P CA 0.258 63.362 63.100 0.008 0.000 0.776 225 P CB 0.549 32.252 31.700 0.005 0.000 0.876 226 E N 2.764 122.969 120.200 0.009 0.000 2.130 226 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 226 E C 1.704 178.310 176.600 0.009 0.000 0.998 226 E CA 1.588 57.994 56.400 0.010 0.000 0.806 226 E CB -0.352 29.353 29.700 0.008 0.000 0.738 226 E HN 0.473 nan 8.360 nan 0.000 0.459 227 A N 0.640 123.465 122.820 0.007 0.000 1.917 227 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 227 A C 2.215 179.803 177.584 0.007 0.000 1.182 227 A CA 2.443 54.484 52.037 0.007 0.000 0.633 227 A CB -1.092 17.911 19.000 0.005 0.000 0.819 227 A HN 0.519 nan 8.150 nan 0.000 0.448 228 E N -1.091 119.114 120.200 0.007 0.000 2.478 228 E HA 0.394 4.744 4.350 -0.000 0.000 0.194 228 E C 2.013 178.618 176.600 0.008 0.000 1.045 228 E CA 1.022 57.426 56.400 0.007 0.000 0.868 228 E CB -1.461 28.242 29.700 0.005 0.000 0.885 228 E HN 1.158 nan 8.360 nan 0.000 0.505 229 L N -0.137 121.092 121.223 0.010 0.000 2.042 229 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 229 L C 2.801 179.680 176.870 0.014 0.000 1.076 229 L CA 2.950 57.798 54.840 0.013 0.000 0.749 229 L CB -1.458 40.611 42.059 0.017 0.000 0.893 229 L HN 0.528 nan 8.230 nan 0.000 0.432 230 Q N -0.103 119.706 119.800 0.015 0.000 2.016 230 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 230 Q C 2.300 178.307 176.000 0.012 0.000 0.978 230 Q CA 3.106 58.918 55.803 0.015 0.000 0.833 230 Q CB -0.524 28.223 28.738 0.014 0.000 0.895 230 Q HN 0.734 nan 8.270 nan 0.000 0.427 231 E N 0.580 120.786 120.200 0.010 0.000 2.051 231 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 231 E C 1.771 178.375 176.600 0.007 0.000 0.991 231 E CA 1.598 58.003 56.400 0.009 0.000 0.799 231 E CB -0.972 28.732 29.700 0.007 0.000 0.748 231 E HN 0.596 nan 8.360 nan 0.000 0.449 232 E N 0.288 120.491 120.200 0.006 0.000 2.118 232 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 232 E C 2.235 178.836 176.600 0.003 0.000 0.992 232 E CA 2.035 58.437 56.400 0.003 0.000 0.804 232 E CB -0.472 29.229 29.700 0.002 0.000 0.741 232 E HN 0.510 nan 8.360 nan 0.000 0.458 233 T N 0.409 114.967 114.554 0.006 0.000 2.812 233 T HA -0.045 4.305 4.350 -0.000 0.000 0.264 233 T C 1.609 176.313 174.700 0.007 0.000 1.042 233 T CA 1.226 63.330 62.100 0.006 0.000 1.140 233 T CB -0.088 68.788 68.868 0.013 0.000 0.870 233 T HN 0.141 nan 8.240 nan 0.000 0.445 234 M N 0.970 120.575 119.600 0.009 0.000 2.319 234 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 234 M C 2.283 178.589 176.300 0.010 0.000 1.068 234 M CA 0.892 56.199 55.300 0.010 0.000 1.118 234 M CB -0.931 31.676 32.600 0.012 0.000 1.395 234 M HN 0.198 nan 8.290 nan 0.000 0.435 235 R N 0.687 121.192 120.500 0.008 0.000 2.083 235 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 235 R C 2.009 178.312 176.300 0.006 0.000 1.137 235 R CA 1.586 57.691 56.100 0.008 0.000 0.951 235 R CB -0.230 30.073 30.300 0.005 0.000 0.851 235 R HN 0.297 nan 8.270 nan 0.000 0.434 236 I N 0.497 121.067 120.570 0.001 0.000 2.133 236 I HA -0.211 3.959 4.170 -0.000 0.000 0.238 236 I C 2.654 178.770 176.117 -0.002 0.000 1.074 236 I CA 1.277 62.574 61.300 -0.005 0.000 1.342 236 I CB -0.456 37.537 38.000 -0.012 0.000 1.053 236 I HN 0.262 nan 8.210 nan 0.000 0.404 237 A N 0.987 123.807 122.820 0.001 0.000 1.917 237 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 237 A C 2.626 180.216 177.584 0.010 0.000 1.182 237 A CA 2.713 54.752 52.037 0.004 0.000 0.633 237 A CB -1.086 17.918 19.000 0.006 0.000 0.819 237 A HN 0.438 nan 8.150 nan 0.000 0.448 238 R N -1.168 119.340 120.500 0.015 0.000 2.148 238 R HA 0.056 4.396 4.340 -0.000 0.000 0.223 238 R C 2.458 178.775 176.300 0.029 0.000 1.088 238 R CA 2.355 58.469 56.100 0.023 0.000 0.985 238 R CB -1.634 28.680 30.300 0.023 0.000 0.880 238 R HN 0.792 nan 8.270 nan 0.000 0.451 239 K N 0.197 120.610 120.400 0.022 0.000 2.002 239 K HA 0.183 4.503 4.320 -0.000 0.000 0.209 239 K C 2.664 179.277 176.600 0.021 0.000 1.048 239 K CA 2.198 58.501 56.287 0.026 0.000 0.930 239 K CB -1.658 30.850 32.500 0.014 0.000 0.714 239 K HN 0.874 nan 8.250 nan 0.000 0.438 240 I N 0.973 121.545 120.570 0.002 0.000 2.286 240 I HA 0.242 4.412 4.170 -0.000 0.000 0.248 240 I C 2.862 178.974 176.117 -0.007 0.000 1.115 240 I CA 2.469 63.761 61.300 -0.014 0.000 1.392 240 I CB -1.714 36.274 38.000 -0.021 0.000 1.065 240 I HN 0.625 nan 8.210 nan 0.000 0.418 241 A N 0.751 123.579 122.820 0.013 0.000 2.067 241 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 241 A C 2.582 180.203 177.584 0.061 0.000 1.158 241 A CA 2.038 54.092 52.037 0.028 0.000 0.661 241 A CB -0.882 18.138 19.000 0.032 0.000 0.801 241 A HN 1.318 nan 8.150 nan 0.000 0.452 242 S N -1.181 114.568 115.700 0.081 0.000 2.562 242 S HA 0.318 4.788 4.470 -0.000 0.000 0.221 242 S C 0.602 175.361 174.600 0.265 0.000 0.975 242 S CA -0.223 58.072 58.200 0.159 0.000 0.918 242 S CB -0.472 62.808 63.200 0.134 0.000 0.772 242 S HN 0.358 nan 8.310 nan 0.000 0.531 243 L N 0.977 122.245 121.223 0.076 0.000 2.397 243 L HA 0.494 4.834 4.340 -0.000 0.000 0.266 243 L C 0.746 177.236 176.870 -0.634 0.000 1.040 243 L CA -0.897 53.860 54.840 -0.140 0.000 0.800 243 L CB 0.911 42.879 42.059 -0.152 0.000 1.324 243 L HN 0.097 nan 8.230 nan 0.000 0.469 244 S N -0.083 114.845 115.700 -1.287 0.000 2.510 244 S HA 0.079 4.549 4.470 -0.000 0.000 0.279 244 S C 1.031 175.343 174.600 -0.479 0.000 1.284 244 S CA -0.211 57.310 58.200 -1.132 0.000 1.059 244 S CB 0.556 63.027 63.200 -1.215 0.000 0.901 244 S HN 0.639 nan 8.310 nan 0.000 0.491 245 R N 4.393 124.724 120.500 -0.281 0.000 2.073 245 R HA 0.027 4.367 4.340 -0.000 0.000 0.229 245 R C -0.989 175.239 176.300 -0.119 0.000 1.120 245 R CA 1.290 57.302 56.100 -0.145 0.000 0.967 245 R CB -1.251 29.008 30.300 -0.069 0.000 0.862 245 R HN 0.529 nan 8.270 nan 0.000 0.436 246 P HA -0.121 nan 4.420 nan 0.000 0.215 246 P C 1.468 178.709 177.300 -0.100 0.000 1.153 246 P CA 1.049 64.100 63.100 -0.083 0.000 0.853 246 P CB -0.018 31.644 31.700 -0.064 0.000 0.788 247 V N -0.365 119.452 119.914 -0.162 0.000 2.261 247 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 247 V C 2.509 178.527 176.094 -0.126 0.000 1.047 247 V CA 1.809 64.014 62.300 -0.158 0.000 1.015 247 V CB -1.281 30.392 31.823 -0.250 0.000 0.642 247 V HN -0.045 nan 8.190 nan 0.000 0.446 248 V N -0.669 119.157 119.914 -0.147 0.000 2.490 248 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 248 V C 2.619 178.681 176.094 -0.053 0.000 1.061 248 V CA 2.213 64.451 62.300 -0.104 0.000 1.064 248 V CB -0.491 31.266 31.823 -0.110 0.000 0.670 248 V HN 0.556 nan 8.190 nan 0.000 0.461 249 S N -0.264 115.408 115.700 -0.046 0.000 2.355 249 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 249 S C 1.938 176.539 174.600 0.002 0.000 1.031 249 S CA 1.615 59.808 58.200 -0.011 0.000 0.993 249 S CB -0.339 62.851 63.200 -0.016 0.000 0.859 249 S HN 0.418 nan 8.310 nan 0.000 0.453 250 L N 1.879 123.092 121.223 -0.016 0.000 2.043 250 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 250 L C 2.226 179.102 176.870 0.009 0.000 1.075 250 L CA 2.352 57.189 54.840 -0.006 0.000 0.752 250 L CB -1.451 40.595 42.059 -0.022 0.000 0.891 250 L HN 0.369 nan 8.230 nan 0.000 0.432 251 G N -0.993 107.803 108.800 -0.008 0.000 2.421 251 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.216 251 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.216 251 G C 1.719 176.639 174.900 0.033 0.000 1.171 251 G CA 0.889 45.986 45.100 -0.004 0.000 0.775 251 G HN 0.467 nan 8.290 nan 0.000 0.543 252 K N 0.530 120.956 120.400 0.043 0.000 2.002 252 K HA 0.058 4.378 4.320 -0.000 0.000 0.209 252 K C 2.793 179.536 176.600 0.239 0.000 1.048 252 K CA 1.407 57.771 56.287 0.129 0.000 0.930 252 K CB -0.385 32.202 32.500 0.145 0.000 0.714 252 K HN 0.185 nan 8.250 nan 0.000 0.438 253 A N 0.377 123.293 122.820 0.160 0.000 1.933 253 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 253 A C 2.178 179.844 177.584 0.137 0.000 1.175 253 A CA 2.206 54.335 52.037 0.153 0.000 0.628 253 A CB -1.005 18.043 19.000 0.079 0.000 0.814 253 A HN 0.476 nan 8.150 nan 0.000 0.444 254 T N -1.085 113.528 114.554 0.098 0.000 2.777 254 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 254 T C 1.588 176.319 174.700 0.051 0.000 1.040 254 T CA 1.347 63.482 62.100 0.060 0.000 1.141 254 T CB -0.380 68.508 68.868 0.033 0.000 0.868 254 T HN 0.493 nan 8.240 nan 0.000 0.444 255 F N 0.746 120.641 119.950 -0.093 0.000 2.126 255 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 255 F C 1.867 177.525 175.800 -0.237 0.000 1.096 255 F CA 1.340 59.212 58.000 -0.213 0.000 1.255 255 F CB -0.230 38.558 39.000 -0.352 0.000 0.997 255 F HN 0.148 nan 8.300 nan 0.000 0.479 256 Y N -0.111 120.222 120.300 0.056 0.000 2.365 256 Y HA -0.072 4.478 4.550 0.000 0.000 0.293 256 Y C 2.687 178.534 175.900 -0.088 0.000 1.119 256 Y CA 1.299 59.375 58.100 -0.040 0.000 1.203 256 Y CB -1.110 37.399 38.460 0.082 0.000 1.026 256 Y HN -0.071 nan 8.280 nan 0.000 0.549 257 K N 0.660 121.108 120.400 0.081 0.000 2.057 257 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 257 K C 2.069 178.642 176.600 -0.044 0.000 1.049 257 K CA 1.877 58.178 56.287 0.024 0.000 0.931 257 K CB -0.519 32.000 32.500 0.033 0.000 0.714 257 K HN 0.575 nan 8.250 nan 0.000 0.440 258 Q N -0.315 119.416 119.800 -0.116 0.000 2.137 258 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 258 Q C 2.212 178.074 176.000 -0.230 0.000 0.960 258 Q CA 1.477 57.180 55.803 -0.167 0.000 0.847 258 Q CB -0.384 28.236 28.738 -0.197 0.000 0.915 258 Q HN 0.390 nan 8.270 nan 0.000 0.448 259 L N 1.963 122.984 121.223 -0.337 0.000 2.010 259 L HA -0.180 4.160 4.340 -0.000 0.000 0.219 259 L C -0.559 176.199 176.870 -0.187 0.000 1.077 259 L CA 2.385 57.013 54.840 -0.353 0.000 0.773 259 L CB -1.365 40.459 42.059 -0.392 0.000 0.892 259 L HN 0.335 nan 8.230 nan 0.000 0.436 260 P HA -0.003 nan 4.420 nan 0.000 0.249 260 P C 0.129 177.390 177.300 -0.066 0.000 1.229 260 P CA 0.267 63.324 63.100 -0.072 0.000 0.788 260 P CB 0.115 31.790 31.700 -0.041 0.000 1.072 261 Q N 1.224 120.976 119.800 -0.079 0.000 2.256 261 Q HA 0.104 4.444 4.340 -0.000 0.000 0.232 261 Q C 0.540 176.500 176.000 -0.066 0.000 0.965 261 Q CA -0.113 55.654 55.803 -0.060 0.000 0.908 261 Q CB 0.768 29.475 28.738 -0.051 0.000 1.209 261 Q HN 0.339 nan 8.270 nan 0.000 0.489 262 D N 0.125 120.498 120.400 -0.044 0.000 2.354 262 D HA -0.095 4.545 4.640 -0.000 0.000 0.238 262 D C 0.992 177.263 176.300 -0.049 0.000 1.250 262 D CA -0.307 53.670 54.000 -0.038 0.000 0.911 262 D CB 1.101 41.890 40.800 -0.018 0.000 1.163 262 D HN 0.328 nan 8.370 nan 0.000 0.456 263 L N 1.200 122.400 121.223 -0.038 0.000 2.093 263 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 263 L C 2.473 179.365 176.870 0.037 0.000 1.085 263 L CA 2.160 56.969 54.840 -0.052 0.000 0.755 263 L CB -0.838 41.220 42.059 -0.001 0.000 0.904 263 L HN 0.721 nan 8.230 nan 0.000 0.435 264 G N -1.949 106.899 108.800 0.079 0.000 2.421 264 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 264 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 264 G C 1.456 176.438 174.900 0.138 0.000 1.171 264 G CA 1.190 46.367 45.100 0.129 0.000 0.775 264 G HN 0.394 nan 8.290 nan 0.000 0.543 265 T N 1.752 116.352 114.554 0.077 0.000 2.737 265 T HA 0.040 4.390 4.350 -0.000 0.000 0.265 265 T C 2.844 177.603 174.700 0.099 0.000 1.038 265 T CA 1.519 63.675 62.100 0.094 0.000 1.144 265 T CB -0.487 68.401 68.868 0.032 0.000 0.866 265 T HN 0.372 nan 8.240 nan 0.000 0.434 266 A N 0.737 123.551 122.820 -0.011 0.000 1.903 266 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 266 A C 2.089 179.625 177.584 -0.080 0.000 1.191 266 A CA 1.818 53.789 52.037 -0.109 0.000 0.638 266 A CB -1.121 17.726 19.000 -0.256 0.000 0.823 266 A HN 0.545 nan 8.150 nan 0.000 0.451 267 Y N -2.146 118.171 120.300 0.028 0.000 2.263 267 Y HA -0.118 4.432 4.550 -0.000 0.000 0.292 267 Y C 2.255 178.168 175.900 0.021 0.000 1.130 267 Y CA 0.744 58.853 58.100 0.016 0.000 1.179 267 Y CB -0.969 37.501 38.460 0.018 0.000 0.998 267 Y HN 0.545 nan 8.280 nan 0.000 0.532 268 Y N -0.149 120.226 120.300 0.125 0.000 2.097 268 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 268 Y C 2.048 177.976 175.900 0.048 0.000 1.152 268 Y CA 1.500 59.641 58.100 0.069 0.000 1.136 268 Y CB -0.710 37.775 38.460 0.041 0.000 0.975 268 Y HN 0.009 nan 8.280 nan 0.000 0.498 269 L N 0.366 121.596 121.223 0.011 0.000 2.013 269 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 269 L C 2.786 179.574 176.870 -0.136 0.000 1.073 269 L CA 2.730 57.530 54.840 -0.067 0.000 0.753 269 L CB -1.695 40.392 42.059 0.047 0.000 0.890 269 L HN 0.591 nan 8.230 nan 0.000 0.432 270 T N -4.499 110.016 114.554 -0.064 0.000 2.942 270 T HA -0.068 4.282 4.350 -0.000 0.000 0.265 270 T C 1.889 176.567 174.700 -0.036 0.000 1.062 270 T CA 0.975 63.056 62.100 -0.032 0.000 1.139 270 T CB -0.530 68.342 68.868 0.007 0.000 0.883 270 T HN 0.376 nan 8.240 nan 0.000 0.468 271 S N 1.282 116.952 115.700 -0.049 0.000 2.414 271 S HA -0.047 4.423 4.470 -0.000 0.000 0.227 271 S C 2.143 176.664 174.600 -0.131 0.000 1.022 271 S CA 0.641 58.802 58.200 -0.065 0.000 0.958 271 S CB -0.468 62.705 63.200 -0.045 0.000 0.797 271 S HN 0.395 nan 8.310 nan 0.000 0.493 272 Q N 2.347 121.997 119.800 -0.250 0.000 2.084 272 Q HA 0.125 4.465 4.340 -0.000 0.000 0.202 272 Q C 2.143 178.060 176.000 -0.139 0.000 0.978 272 Q CA 1.813 57.463 55.803 -0.255 0.000 0.844 272 Q CB -0.929 27.536 28.738 -0.456 0.000 0.898 272 Q HN 0.629 nan 8.270 nan 0.000 0.426 273 A N -0.225 122.527 122.820 -0.114 0.000 1.930 273 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 273 A C 1.944 179.500 177.584 -0.046 0.000 1.175 273 A CA 1.544 53.544 52.037 -0.062 0.000 0.627 273 A CB -0.462 18.513 19.000 -0.042 0.000 0.815 273 A HN 0.403 nan 8.150 nan 0.000 0.443 274 M N -0.339 119.233 119.600 -0.046 0.000 2.159 274 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 274 M C 2.154 178.434 176.300 -0.033 0.000 1.063 274 M CA 1.255 56.535 55.300 -0.033 0.000 1.110 274 M CB -1.228 31.356 32.600 -0.028 0.000 1.374 274 M HN 0.262 nan 8.290 nan 0.000 0.411 275 V N 0.449 120.338 119.914 -0.043 0.000 2.323 275 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 275 V C 1.977 178.056 176.094 -0.025 0.000 1.041 275 V CA 1.690 63.970 62.300 -0.034 0.000 1.025 275 V CB -0.734 31.063 31.823 -0.043 0.000 0.656 275 V HN 0.322 nan 8.190 nan 0.000 0.451 276 D N 0.100 120.481 120.400 -0.031 0.000 2.123 276 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 276 D C 2.019 178.310 176.300 -0.016 0.000 0.992 276 D CA 1.695 55.683 54.000 -0.021 0.000 0.833 276 D CB -0.510 40.276 40.800 -0.024 0.000 0.954 276 D HN 0.562 nan 8.370 nan 0.000 0.455 277 N N 0.029 118.716 118.700 -0.021 0.000 2.094 277 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 277 N C 1.815 177.320 175.510 -0.009 0.000 1.023 277 N CA 0.620 53.658 53.050 -0.020 0.000 0.857 277 N CB -0.020 38.450 38.487 -0.027 0.000 1.013 277 N HN 0.082 nan 8.380 nan 0.000 0.426 278 L N -0.267 120.953 121.223 -0.005 0.000 2.313 278 L HA 0.065 4.405 4.340 -0.000 0.000 0.214 278 L C 2.256 179.134 176.870 0.013 0.000 1.119 278 L CA 0.446 55.290 54.840 0.006 0.000 0.809 278 L CB -0.208 41.853 42.059 0.003 0.000 0.933 278 L HN 0.226 nan 8.230 nan 0.000 0.449 279 A N -0.095 122.729 122.820 0.007 0.000 2.119 279 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 279 A C 1.167 178.761 177.584 0.017 0.000 1.152 279 A CA 0.138 52.182 52.037 0.011 0.000 0.708 279 A CB -0.334 18.669 19.000 0.006 0.000 0.805 279 A HN 0.231 nan 8.150 nan 0.000 0.460 280 L N -1.158 120.074 121.223 0.016 0.000 2.461 280 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 280 L C 2.271 179.168 176.870 0.045 0.000 1.197 280 L CA -0.203 54.651 54.840 0.023 0.000 0.836 280 L CB 0.281 42.346 42.059 0.010 0.000 1.105 280 L HN 0.470 nan 8.230 nan 0.000 0.477 281 R N 1.764 122.297 120.500 0.055 0.000 2.080 281 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 281 R C 1.523 177.898 176.300 0.123 0.000 1.137 281 R CA 2.187 58.333 56.100 0.077 0.000 0.943 281 R CB -1.375 28.970 30.300 0.074 0.000 0.846 281 R HN 0.799 nan 8.270 nan 0.000 0.431 282 D N -0.318 120.175 120.400 0.154 0.000 2.221 282 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 282 D C 2.089 178.530 176.300 0.235 0.000 0.982 282 D CA 1.522 55.689 54.000 0.279 0.000 0.857 282 D CB -0.676 40.219 40.800 0.158 0.000 0.934 282 D HN 0.599 nan 8.370 nan 0.000 0.475 283 G N 0.500 109.366 108.800 0.110 0.000 2.433 283 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 283 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 283 G C 1.585 176.551 174.900 0.109 0.000 1.186 283 G CA 0.512 45.661 45.100 0.081 0.000 0.779 283 G HN 0.172 nan 8.290 nan 0.000 0.543 284 Q N 0.123 119.982 119.800 0.098 0.000 2.049 284 Q HA 0.018 4.358 4.340 -0.000 0.000 0.198 284 Q C 2.734 178.799 176.000 0.109 0.000 0.971 284 Q CA 1.701 57.558 55.803 0.089 0.000 0.833 284 Q CB -0.980 27.797 28.738 0.064 0.000 0.896 284 Q HN 0.650 nan 8.270 nan 0.000 0.434 285 E N 0.633 120.912 120.200 0.132 0.000 2.463 285 E HA -0.028 4.322 4.350 -0.000 0.000 0.201 285 E C 1.834 178.498 176.600 0.107 0.000 1.045 285 E CA 1.212 57.674 56.400 0.103 0.000 0.872 285 E CB -0.718 29.042 29.700 0.100 0.000 0.797 285 E HN 0.525 nan 8.360 nan 0.000 0.538 286 G N -0.584 108.356 108.800 0.233 0.000 2.673 286 G HA2 0.184 4.144 3.960 -0.000 0.000 0.208 286 G HA3 0.184 4.144 3.960 -0.000 0.000 0.208 286 G C 1.697 176.714 174.900 0.195 0.000 1.128 286 G CA 0.515 45.779 45.100 0.273 0.000 0.805 286 G HN 0.441 nan 8.290 nan 0.000 0.526 287 I N 0.659 121.321 120.570 0.153 0.000 2.277 287 I HA -0.069 4.101 4.170 -0.000 0.000 0.243 287 I C 2.939 179.161 176.117 0.175 0.000 1.094 287 I CA 0.972 62.358 61.300 0.143 0.000 1.393 287 I CB -0.079 37.973 38.000 0.087 0.000 1.078 287 I HN 0.052 nan 8.210 nan 0.000 0.417 288 T N 0.793 115.416 114.554 0.116 0.000 2.555 288 T HA -0.277 4.073 4.350 -0.000 0.000 0.264 288 T C 1.968 176.713 174.700 0.075 0.000 1.083 288 T CA 1.929 64.077 62.100 0.081 0.000 1.179 288 T CB -0.462 68.436 68.868 0.049 0.000 0.863 288 T HN 0.481 nan 8.240 nan 0.000 0.412 289 A N 0.267 123.121 122.820 0.056 0.000 2.093 289 A HA -0.137 4.183 4.320 -0.000 0.000 0.222 289 A C 1.975 179.604 177.584 0.074 0.000 1.162 289 A CA 1.838 53.889 52.037 0.023 0.000 0.655 289 A CB -0.891 18.084 19.000 -0.042 0.000 0.805 289 A HN 0.591 nan 8.150 nan 0.000 0.461 290 F N -0.050 119.898 119.950 -0.002 0.000 2.188 290 F HA 0.077 4.604 4.527 -0.000 0.000 0.289 290 F C 1.858 177.660 175.800 0.002 0.000 1.082 290 F CA 1.157 59.161 58.000 0.006 0.000 1.282 290 F CB -0.316 38.699 39.000 0.025 0.000 1.060 290 F HN 0.123 nan 8.300 nan 0.000 0.493 291 L N 0.424 121.676 121.223 0.048 0.000 1.971 291 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 291 L C 2.260 179.040 176.870 -0.149 0.000 1.072 291 L CA 1.880 56.678 54.840 -0.069 0.000 0.758 291 L CB -1.222 40.873 42.059 0.060 0.000 0.889 291 L HN 0.197 nan 8.230 nan 0.000 0.433 292 Q N 0.193 119.947 119.800 -0.077 0.000 2.561 292 Q HA -0.131 4.209 4.340 -0.000 0.000 0.217 292 Q C 0.335 176.269 176.000 -0.109 0.000 0.980 292 Q CA 0.303 56.060 55.803 -0.077 0.000 0.927 292 Q CB 0.055 28.768 28.738 -0.042 0.000 0.980 292 Q HN 0.329 nan 8.270 nan 0.000 0.525 293 K N -1.086 119.207 120.400 -0.178 0.000 3.587 293 K HA -0.217 4.103 4.320 -0.000 0.000 0.294 293 K C 0.353 176.887 176.600 -0.111 0.000 1.279 293 K CA 1.574 57.748 56.287 -0.188 0.000 1.004 293 K CB -1.476 30.933 32.500 -0.151 0.000 1.276 293 K HN 0.541 nan 8.250 nan 0.000 0.459 294 R N 1.042 121.495 120.500 -0.078 0.000 2.571 294 R HA 0.600 4.940 4.340 -0.000 0.000 0.259 294 R C 0.327 176.596 176.300 -0.052 0.000 1.226 294 R CA -0.099 55.964 56.100 -0.061 0.000 1.157 294 R CB 0.283 30.545 30.300 -0.064 0.000 1.220 294 R HN 0.022 nan 8.270 nan 0.000 0.605 295 K N 0.923 121.281 120.400 -0.070 0.000 2.143 295 K HA 0.383 4.703 4.320 -0.000 0.000 0.272 295 K C -2.405 174.080 176.600 -0.191 0.000 1.001 295 K CA -1.926 54.302 56.287 -0.098 0.000 0.915 295 K CB 0.176 32.623 32.500 -0.088 0.000 1.047 295 K HN 0.640 nan 8.250 nan 0.000 0.458 296 P HA 0.540 nan 4.420 nan 0.000 0.290 296 P C -1.118 175.660 177.300 -0.869 0.000 1.275 296 P CA -0.742 62.011 63.100 -0.578 0.000 0.841 296 P CB 1.507 32.749 31.700 -0.763 0.000 1.042 297 V N 2.751 122.263 119.914 -0.668 0.000 2.409 297 V HA 0.344 4.464 4.120 -0.000 0.000 0.291 297 V C -0.329 175.567 176.094 -0.329 0.000 1.020 297 V CA -0.398 61.597 62.300 -0.507 0.000 0.848 297 V CB 0.608 32.296 31.823 -0.225 0.000 0.990 297 V HN 0.588 nan 8.190 nan 0.000 0.430 298 W N 0.000 121.308 121.300 0.014 0.000 2.388 298 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 298 W CA 0.000 57.353 57.345 0.013 0.000 1.226 298 W CB 0.000 29.468 29.460 0.013 0.000 1.126 298 W HN 0.000 nan 8.180 nan 0.000 0.535