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 1efl_1_B DATA FIRST_RESID 21 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 21 I HA 0.000 nan 4.170 nan 0.000 0.288 21 I C 0.000 176.133 176.117 0.026 0.000 1.063 21 I CA 0.000 61.322 61.300 0.037 0.000 1.566 21 I CB 0.000 38.028 38.000 0.047 0.000 1.214 22 K N 2.655 123.067 120.400 0.019 0.000 2.355 22 K HA 0.315 4.634 4.320 -0.001 0.000 0.198 22 K C 0.217 176.819 176.600 0.004 0.000 1.039 22 K CA 0.269 56.563 56.287 0.012 0.000 1.075 22 K CB 0.526 33.033 32.500 0.011 0.000 0.870 22 K HN 0.494 nan 8.250 nan 0.000 0.540 23 E N 1.334 121.536 120.200 0.003 0.000 2.243 23 E HA 0.288 4.637 4.350 -0.001 0.000 0.260 23 E C -0.571 176.020 176.600 -0.016 0.000 0.985 23 E CA -0.290 56.105 56.400 -0.007 0.000 0.858 23 E CB 1.716 31.411 29.700 -0.009 0.000 1.210 23 E HN 0.091 nan 8.360 nan 0.000 0.411 24 K N -1.356 119.026 120.400 -0.031 0.000 2.522 24 K HA 0.727 5.046 4.320 -0.001 0.000 0.275 24 K C 0.123 176.682 176.600 -0.067 0.000 1.006 24 K CA -0.424 55.831 56.287 -0.054 0.000 0.890 24 K CB 1.367 33.836 32.500 -0.051 0.000 1.475 24 K HN 0.619 nan 8.250 nan 0.000 0.441 25 G N 1.324 110.064 108.800 -0.101 0.000 2.632 25 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.224 25 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.224 25 G C 0.320 175.159 174.900 -0.103 0.000 1.341 25 G CA 0.096 45.136 45.100 -0.101 0.000 0.880 25 G HN 0.623 nan 8.290 nan 0.000 0.566 26 K N 0.988 121.340 120.400 -0.079 0.000 2.107 26 K HA -0.131 4.189 4.320 -0.001 0.000 0.211 26 K C 0.375 176.950 176.600 -0.042 0.000 1.049 26 K CA 2.630 58.881 56.287 -0.061 0.000 0.927 26 K CB -1.447 31.026 32.500 -0.044 0.000 0.714 26 K HN 0.315 nan 8.250 nan 0.000 0.452 27 P HA -0.162 nan 4.420 nan 0.000 0.217 27 P C 0.875 178.173 177.300 -0.004 0.000 1.151 27 P CA 0.911 63.998 63.100 -0.022 0.000 0.849 27 P CB -0.008 31.678 31.700 -0.024 0.000 0.787 31 N N 2.468 121.175 118.700 0.013 0.000 2.437 31 N HA 0.241 4.981 4.740 -0.001 0.000 0.243 31 N C -1.931 173.589 175.510 0.017 0.000 1.041 31 N CA -1.709 51.343 53.050 0.003 0.000 0.940 31 N CB 1.836 40.326 38.487 0.005 0.000 1.133 31 N HN -0.122 nan 8.380 nan 0.000 0.506 32 P HA -0.117 nan 4.420 nan 0.000 0.218 32 P C 1.167 178.490 177.300 0.038 0.000 1.146 32 P CA 0.988 64.088 63.100 0.000 0.000 0.813 32 P CB 0.454 32.129 31.700 -0.042 0.000 0.778 33 R N -0.387 120.132 120.500 0.033 0.000 2.092 33 R HA -0.067 4.272 4.340 -0.001 0.000 0.231 33 R C 1.974 178.329 176.300 0.092 0.000 1.119 33 R CA 2.212 58.350 56.100 0.064 0.000 0.970 33 R CB -1.259 29.058 30.300 0.027 0.000 0.864 33 R HN 0.288 nan 8.270 nan 0.000 0.440 34 T N -3.267 111.331 114.554 0.074 0.000 3.000 34 T HA 0.151 4.500 4.350 -0.001 0.000 0.248 34 T C 0.679 175.416 174.700 0.062 0.000 1.034 34 T CA -0.357 61.797 62.100 0.089 0.000 1.060 34 T CB -0.295 68.641 68.868 0.112 0.000 0.983 34 T HN 0.001 nan 8.240 nan 0.000 0.482 35 N N 1.976 120.712 118.700 0.060 0.000 2.412 35 N HA 0.083 4.822 4.740 -0.001 0.000 0.254 35 N C 0.655 176.004 175.510 -0.268 0.000 1.232 35 N CA 0.362 53.417 53.050 0.009 0.000 0.880 35 N CB 0.650 39.167 38.487 0.050 0.000 1.076 35 N HN 0.284 nan 8.380 nan 0.000 0.458 36 K N 1.754 121.694 120.400 -0.765 0.000 2.391 36 K HA 0.217 4.536 4.320 -0.001 0.000 0.197 36 K C 0.644 176.876 176.600 -0.615 0.000 1.087 36 K CA 0.309 55.945 56.287 -1.085 0.000 1.012 36 K CB 0.300 31.684 32.500 -1.859 0.000 0.925 36 K HN 0.817 nan 8.250 nan 0.000 0.547 40 F N 3.732 123.580 119.950 -0.170 0.000 2.546 40 F HA 0.227 4.753 4.527 -0.001 0.000 0.388 40 F C 1.836 177.592 175.800 -0.075 0.000 1.051 40 F CA 1.331 59.253 58.000 -0.129 0.000 1.130 40 F CB 0.556 39.496 39.000 -0.100 0.000 1.044 40 F HN 0.352 nan 8.300 nan 0.000 0.553 41 T N 1.571 116.199 114.554 0.124 0.000 2.788 41 T HA -0.082 4.267 4.350 -0.001 0.000 0.333 41 T C 1.064 175.805 174.700 0.069 0.000 1.090 41 T CA -0.758 61.386 62.100 0.073 0.000 1.094 41 T CB 0.725 69.625 68.868 0.054 0.000 0.999 41 T HN 0.590 nan 8.240 nan 0.000 0.549 42 L N 0.389 121.635 121.223 0.039 0.000 2.201 42 L HA -0.003 4.336 4.340 -0.001 0.000 0.212 42 L C 2.819 179.695 176.870 0.010 0.000 1.105 42 L CA 1.522 56.375 54.840 0.021 0.000 0.775 42 L CB -0.888 41.179 42.059 0.014 0.000 0.913 42 L HN 0.754 nan 8.230 nan 0.000 0.440 43 Q N -0.451 119.359 119.800 0.017 0.000 2.079 43 Q HA -0.209 4.130 4.340 -0.001 0.000 0.200 43 Q C 2.097 178.101 176.000 0.005 0.000 0.974 43 Q CA 1.823 57.632 55.803 0.009 0.000 0.840 43 Q CB 0.058 28.806 28.738 0.016 0.000 0.898 43 Q HN 0.663 nan 8.270 nan 0.000 0.430 44 E N 0.168 120.385 120.200 0.027 0.000 2.031 44 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 44 E C 2.129 178.697 176.600 -0.054 0.000 0.994 44 E CA 0.800 57.217 56.400 0.027 0.000 0.800 44 E CB 0.026 29.811 29.700 0.141 0.000 0.752 44 E HN 0.185 nan 8.360 nan 0.000 0.447 45 R N 0.738 121.203 120.500 -0.058 0.000 2.096 45 R HA -0.150 4.189 4.340 -0.001 0.000 0.240 45 R C 1.245 177.483 176.300 -0.103 0.000 1.139 45 R CA 1.259 57.284 56.100 -0.124 0.000 0.952 45 R CB -0.191 30.070 30.300 -0.066 0.000 0.854 45 R HN 0.221 nan 8.270 nan 0.000 0.436 49 G N 1.479 110.211 108.800 -0.113 0.000 2.221 49 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.265 49 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.265 49 G C 0.474 175.296 174.900 -0.131 0.000 1.041 49 G CA 0.789 45.827 45.100 -0.103 0.000 0.807 49 G HN 0.351 nan 8.290 nan 0.000 0.502 50 L N -0.991 120.125 121.223 -0.178 0.000 2.513 50 L HA 0.230 4.569 4.340 -0.001 0.000 0.222 50 L C 1.602 178.390 176.870 -0.136 0.000 1.096 50 L CA -0.222 54.492 54.840 -0.211 0.000 0.857 50 L CB -0.142 41.679 42.059 -0.397 0.000 1.026 50 L HN 0.200 nan 8.230 nan 0.000 0.469 51 Q N 1.289 121.027 119.800 -0.104 0.000 2.304 51 Q HA 0.010 4.349 4.340 -0.001 0.000 0.315 51 Q C 1.249 177.218 176.000 -0.052 0.000 1.075 51 Q CA 1.507 57.271 55.803 -0.065 0.000 0.988 51 Q CB 0.657 29.365 28.738 -0.051 0.000 1.146 51 Q HN 0.485 nan 8.270 nan 0.000 0.383 52 G N 2.498 111.275 108.800 -0.038 0.000 2.268 52 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.240 52 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.240 52 G C 0.698 175.580 174.900 -0.030 0.000 1.010 52 G CA 0.339 45.422 45.100 -0.029 0.000 0.618 52 G HN 0.554 nan 8.290 nan 0.000 0.516 53 L N -0.047 121.150 121.223 -0.042 0.000 2.509 53 L HA 0.465 4.804 4.340 -0.001 0.000 0.222 53 L C 0.980 177.838 176.870 -0.021 0.000 1.123 53 L CA 0.437 55.254 54.840 -0.038 0.000 0.856 53 L CB 0.053 42.075 42.059 -0.062 0.000 0.985 53 L HN 0.187 nan 8.230 nan 0.000 0.456 54 L N -0.490 120.724 121.223 -0.015 0.000 2.370 54 L HA 0.468 4.807 4.340 -0.001 0.000 0.266 54 L C -2.177 174.699 176.870 0.011 0.000 1.002 54 L CA -1.945 52.901 54.840 0.010 0.000 0.818 54 L CB 1.791 43.868 42.059 0.031 0.000 1.325 54 L HN -0.230 nan 8.230 nan 0.000 0.418 55 P HA 0.027 nan 4.420 nan 0.000 0.267 55 P C -1.950 175.359 177.300 0.016 0.000 1.201 55 P CA -0.814 62.295 63.100 0.016 0.000 0.775 55 P CB -0.064 31.648 31.700 0.020 0.000 0.854 56 P HA -0.160 nan 4.420 nan 0.000 0.220 56 P C 0.300 177.610 177.300 0.016 0.000 1.144 56 P CA 1.315 64.421 63.100 0.011 0.000 0.800 56 P CB 0.224 31.929 31.700 0.007 0.000 0.772 57 K N 0.552 120.963 120.400 0.020 0.000 2.270 57 K HA 0.277 4.597 4.320 -0.001 0.000 0.276 57 K C -0.476 176.141 176.600 0.029 0.000 1.023 57 K CA -0.283 56.017 56.287 0.023 0.000 0.955 57 K CB 0.155 32.670 32.500 0.024 0.000 0.975 57 K HN -0.224 nan 8.250 nan 0.000 0.471 58 I N 4.175 124.762 120.570 0.029 0.000 2.428 58 I HA 0.160 4.330 4.170 -0.001 0.000 0.279 58 I C -0.162 175.974 176.117 0.033 0.000 1.040 58 I CA -0.110 61.210 61.300 0.033 0.000 1.171 58 I CB 1.210 39.229 38.000 0.032 0.000 1.312 58 I HN 0.697 nan 8.210 nan 0.000 0.470 59 E N 2.965 123.187 120.200 0.036 0.000 2.397 59 E HA 0.388 4.738 4.350 -0.001 0.000 0.254 59 E C 0.142 176.774 176.600 0.054 0.000 1.231 59 E CA -0.267 56.159 56.400 0.043 0.000 0.954 59 E CB 0.802 30.531 29.700 0.048 0.000 1.024 59 E HN 0.548 nan 8.360 nan 0.000 0.481 60 T N -2.306 112.286 114.554 0.064 0.000 2.940 60 T HA 0.131 4.480 4.350 -0.001 0.000 0.288 60 T C 0.835 175.597 174.700 0.105 0.000 1.033 60 T CA -0.832 61.316 62.100 0.079 0.000 1.033 60 T CB 1.835 70.733 68.868 0.050 0.000 1.079 60 T HN 0.445 nan 8.240 nan 0.000 0.496 61 Q N 0.247 120.120 119.800 0.122 0.000 2.096 61 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 61 Q C 1.257 177.270 176.000 0.022 0.000 0.982 61 Q CA 2.326 58.169 55.803 0.067 0.000 0.850 61 Q CB -0.324 28.314 28.738 -0.166 0.000 0.901 61 Q HN 0.817 nan 8.270 nan 0.000 0.422 62 D N 0.271 120.680 120.400 0.016 0.000 2.149 62 D HA -0.219 4.420 4.640 -0.001 0.000 0.194 62 D C 1.684 178.018 176.300 0.056 0.000 1.001 62 D CA 1.637 55.653 54.000 0.027 0.000 0.849 62 D CB -0.217 40.595 40.800 0.021 0.000 0.939 62 D HN 0.364 nan 8.370 nan 0.000 0.449 63 I N 0.258 120.863 120.570 0.058 0.000 2.353 63 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 63 I C 2.250 178.413 176.117 0.078 0.000 1.119 63 I CA 0.894 62.233 61.300 0.065 0.000 1.417 63 I CB -0.348 37.686 38.000 0.056 0.000 1.078 63 I HN -0.005 nan 8.210 nan 0.000 0.421 64 Q N 1.097 120.943 119.800 0.078 0.000 2.084 64 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 64 Q C 2.544 178.596 176.000 0.085 0.000 0.978 64 Q CA 1.714 57.567 55.803 0.082 0.000 0.844 64 Q CB -0.319 28.472 28.738 0.088 0.000 0.898 64 Q HN 0.596 nan 8.270 nan 0.000 0.426 65 A N 1.023 123.883 122.820 0.068 0.000 1.930 65 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 65 A C 2.019 179.716 177.584 0.189 0.000 1.175 65 A CA 0.781 52.861 52.037 0.072 0.000 0.627 65 A CB -0.588 18.468 19.000 0.094 0.000 0.815 65 A HN 0.343 nan 8.150 nan 0.000 0.443 66 L N -0.726 120.608 121.223 0.184 0.000 2.056 66 L HA -0.171 4.168 4.340 -0.001 0.000 0.207 66 L C 2.800 179.758 176.870 0.147 0.000 1.078 66 L CA 1.901 56.854 54.840 0.189 0.000 0.749 66 L CB -0.411 41.719 42.059 0.117 0.000 0.901 66 L HN 0.563 nan 8.230 nan 0.000 0.433 67 R N -0.526 120.047 120.500 0.122 0.000 2.073 67 R HA -0.264 4.075 4.340 -0.001 0.000 0.234 67 R C 2.397 178.767 176.300 0.116 0.000 1.134 67 R CA 2.016 58.180 56.100 0.105 0.000 0.952 67 R CB -0.599 29.766 30.300 0.108 0.000 0.850 67 R HN 0.285 nan 8.270 nan 0.000 0.433 68 F N 1.128 121.078 119.950 0.001 0.000 2.069 68 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 68 F C 1.882 177.684 175.800 0.003 0.000 1.113 68 F CA 2.290 60.275 58.000 -0.025 0.000 1.214 68 F CB -0.539 38.302 39.000 -0.266 0.000 0.978 68 F HN 0.165 nan 8.300 nan 0.000 0.474 69 H N -1.017 118.038 119.070 -0.024 0.000 2.387 69 H HA -0.103 4.453 4.556 -0.001 0.000 0.299 69 H C 2.273 177.524 175.328 -0.130 0.000 1.090 69 H CA 1.421 57.399 56.048 -0.117 0.000 1.332 69 H CB -0.158 29.651 29.762 0.078 0.000 1.386 69 H HN 0.100 nan 8.280 nan 0.000 0.516 70 R N 0.742 121.269 120.500 0.046 0.000 2.073 70 R HA -0.092 4.247 4.340 -0.001 0.000 0.234 70 R C 2.015 178.279 176.300 -0.060 0.000 1.134 70 R CA 1.493 57.598 56.100 0.008 0.000 0.952 70 R CB -0.178 30.136 30.300 0.024 0.000 0.850 70 R HN 0.394 nan 8.270 nan 0.000 0.433 71 N N -0.111 118.527 118.700 -0.103 0.000 2.142 71 N HA -0.168 4.571 4.740 -0.001 0.000 0.186 71 N C 1.676 177.034 175.510 -0.253 0.000 1.023 71 N CA 1.266 54.214 53.050 -0.171 0.000 0.852 71 N CB -0.111 38.290 38.487 -0.143 0.000 0.998 71 N HN 0.141 nan 8.380 nan 0.000 0.424 72 L N 2.140 123.182 121.223 -0.301 0.000 2.201 72 L HA -0.079 4.260 4.340 -0.001 0.000 0.212 72 L C 2.144 178.941 176.870 -0.120 0.000 1.105 72 L CA 1.426 56.121 54.840 -0.241 0.000 0.775 72 L CB -0.120 41.690 42.059 -0.415 0.000 0.913 72 L HN -0.024 nan 8.230 nan 0.000 0.440 73 K N -0.207 120.136 120.400 -0.094 0.000 2.097 73 K HA -0.132 4.188 4.320 -0.001 0.000 0.205 73 K C 0.957 177.528 176.600 -0.048 0.000 1.050 73 K CA 0.816 57.078 56.287 -0.043 0.000 0.938 73 K CB 0.057 32.542 32.500 -0.024 0.000 0.718 73 K HN 0.288 nan 8.250 nan 0.000 0.442 77 S N 2.777 118.494 115.700 0.028 0.000 2.562 77 S HA 0.454 4.923 4.470 -0.001 0.000 0.275 77 S C -2.223 172.416 174.600 0.064 0.000 1.281 77 S CA -1.066 57.159 58.200 0.041 0.000 1.045 77 S CB 1.537 64.760 63.200 0.037 0.000 0.962 77 S HN 0.047 nan 8.310 nan 0.000 0.503 78 P HA -0.014 nan 4.420 nan 0.000 0.221 78 P C 1.426 178.810 177.300 0.140 0.000 1.150 78 P CA 0.185 63.347 63.100 0.102 0.000 0.800 78 P CB 0.024 31.769 31.700 0.075 0.000 0.787 79 L N 0.717 121.999 121.223 0.099 0.000 2.093 79 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 79 L C 2.257 179.238 176.870 0.185 0.000 1.085 79 L CA 1.864 56.773 54.840 0.115 0.000 0.755 79 L CB -1.255 40.834 42.059 0.050 0.000 0.904 79 L HN -0.011 nan 8.230 nan 0.000 0.435 80 E N -0.687 119.593 120.200 0.133 0.000 2.152 80 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 80 E C 1.889 178.589 176.600 0.166 0.000 0.983 80 E CA 0.910 57.383 56.400 0.120 0.000 0.818 80 E CB -0.055 29.681 29.700 0.060 0.000 0.758 80 E HN 0.521 nan 8.360 nan 0.000 0.467 81 K N -0.184 120.325 120.400 0.182 0.000 2.103 81 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 81 K C 2.150 178.923 176.600 0.289 0.000 1.052 81 K CA 1.292 57.718 56.287 0.232 0.000 0.945 81 K CB -0.409 32.206 32.500 0.190 0.000 0.722 81 K HN 0.202 nan 8.250 nan 0.000 0.443 82 Y N 2.209 122.599 120.300 0.150 0.000 2.128 82 Y HA -0.226 4.323 4.550 -0.001 0.000 0.284 82 Y C 1.922 177.904 175.900 0.138 0.000 1.154 82 Y CA 1.355 59.540 58.100 0.141 0.000 1.149 82 Y CB -0.243 38.283 38.460 0.109 0.000 0.976 82 Y HN -0.107 nan 8.280 nan 0.000 0.505 83 I N -0.812 119.892 120.570 0.224 0.000 2.127 83 I HA -0.355 3.814 4.170 -0.001 0.000 0.241 83 I C 2.239 178.401 176.117 0.075 0.000 1.075 83 I CA 1.926 63.286 61.300 0.099 0.000 1.334 83 I CB -0.739 37.355 38.000 0.157 0.000 1.040 83 I HN 0.297 nan 8.210 nan 0.000 0.405 84 Y N 1.885 122.201 120.300 0.027 0.000 2.165 84 Y HA -0.109 4.440 4.550 -0.001 0.000 0.286 84 Y C 1.462 177.427 175.900 0.109 0.000 1.155 84 Y CA 0.537 58.673 58.100 0.061 0.000 1.164 84 Y CB -0.458 38.051 38.460 0.081 0.000 0.978 84 Y HN -0.048 nan 8.280 nan 0.000 0.513 88 I N 1.197 121.627 120.570 -0.233 0.000 2.546 88 I HA -0.055 4.114 4.170 -0.001 0.000 0.255 88 I C 2.579 178.540 176.117 -0.260 0.000 1.163 88 I CA 1.326 62.514 61.300 -0.187 0.000 1.457 88 I CB 0.104 38.011 38.000 -0.154 0.000 1.092 88 I HN 0.225 nan 8.210 nan 0.000 0.434 89 Q N 0.799 120.233 119.800 -0.610 0.000 2.170 89 Q HA -0.197 4.142 4.340 -0.001 0.000 0.203 89 Q C 1.372 177.131 176.000 -0.402 0.000 0.976 89 Q CA 1.164 56.450 55.803 -0.861 0.000 0.858 89 Q CB 0.254 28.110 28.738 -1.470 0.000 0.907 89 Q HN 0.380 nan 8.270 nan 0.000 0.433 90 E N -0.517 119.494 120.200 -0.315 0.000 2.465 90 E HA 0.020 4.369 4.350 -0.001 0.000 0.191 90 E C 0.881 177.401 176.600 -0.134 0.000 1.053 90 E CA 0.141 56.420 56.400 -0.201 0.000 0.869 90 E CB 0.520 30.101 29.700 -0.199 0.000 0.977 90 E HN 0.248 nan 8.360 nan 0.000 0.483 91 R N -0.044 120.383 120.500 -0.122 0.000 2.342 91 R HA 0.141 4.480 4.340 -0.001 0.000 0.179 91 R C 0.145 176.427 176.300 -0.031 0.000 0.989 91 R CA 0.187 56.248 56.100 -0.064 0.000 1.125 91 R CB 0.570 30.835 30.300 -0.058 0.000 1.211 91 R HN -0.118 nan 8.270 nan 0.000 0.568 92 N N 0.990 119.676 118.700 -0.022 0.000 2.581 92 N HA 0.040 4.779 4.740 -0.001 0.000 0.279 92 N C -0.532 175.035 175.510 0.095 0.000 1.124 92 N CA -0.022 53.053 53.050 0.041 0.000 0.833 92 N CB 1.685 40.206 38.487 0.057 0.000 1.338 92 N HN 0.220 nan 8.380 nan 0.000 0.533 93 E N 2.361 122.642 120.200 0.135 0.000 2.013 93 E HA -0.240 4.110 4.350 -0.001 0.000 0.202 93 E C 0.764 177.622 176.600 0.430 0.000 1.018 93 E CA 1.549 58.104 56.400 0.259 0.000 0.834 93 E CB 0.284 30.149 29.700 0.275 0.000 0.770 93 E HN 0.412 nan 8.360 nan 0.000 0.459 94 K N 0.276 120.925 120.400 0.415 0.000 2.089 94 K HA -0.213 4.106 4.320 -0.001 0.000 0.210 94 K C 2.059 178.715 176.600 0.094 0.000 1.048 94 K CA 1.257 57.727 56.287 0.305 0.000 0.926 94 K CB -0.397 32.241 32.500 0.230 0.000 0.714 94 K HN 0.113 nan 8.250 nan 0.000 0.448 95 L N -0.260 121.024 121.223 0.102 0.000 2.072 95 L HA -0.032 4.308 4.340 -0.001 0.000 0.205 95 L C 1.926 178.734 176.870 -0.102 0.000 1.079 95 L CA 1.429 56.251 54.840 -0.031 0.000 0.752 95 L CB -0.599 41.481 42.059 0.036 0.000 0.906 95 L HN 0.221 nan 8.230 nan 0.000 0.436 96 F N -0.339 119.490 119.950 -0.202 0.000 2.069 96 F HA -0.304 4.222 4.527 -0.001 0.000 0.298 96 F C 2.029 177.607 175.800 -0.371 0.000 1.113 96 F CA 1.940 59.713 58.000 -0.378 0.000 1.214 96 F CB -0.703 38.046 39.000 -0.418 0.000 0.978 96 F HN 0.147 nan 8.300 nan 0.000 0.474 97 Y N -0.189 120.034 120.300 -0.128 0.000 2.439 97 Y HA -0.120 4.429 4.550 -0.001 0.000 0.292 97 Y C 2.496 178.274 175.900 -0.203 0.000 1.130 97 Y CA 1.030 59.030 58.100 -0.167 0.000 1.254 97 Y CB -0.370 38.250 38.460 0.267 0.000 1.000 97 Y HN 0.074 nan 8.280 nan 0.000 0.554 98 R N 0.965 121.408 120.500 -0.095 0.000 2.057 98 R HA -0.115 4.224 4.340 -0.001 0.000 0.229 98 R C 1.832 178.028 176.300 -0.174 0.000 1.136 98 R CA 1.669 57.682 56.100 -0.145 0.000 0.952 98 R CB -1.087 29.095 30.300 -0.197 0.000 0.848 98 R HN 0.332 nan 8.270 nan 0.000 0.430 99 I N 0.388 120.772 120.570 -0.310 0.000 2.113 99 I HA -0.325 3.844 4.170 -0.001 0.000 0.242 99 I C 1.748 177.715 176.117 -0.250 0.000 1.064 99 I CA 1.164 62.230 61.300 -0.390 0.000 1.320 99 I CB -0.298 37.159 38.000 -0.906 0.000 1.028 99 I HN 0.220 nan 8.210 nan 0.000 0.406 100 L N 0.061 121.051 121.223 -0.388 0.000 1.994 100 L HA -0.279 4.060 4.340 -0.001 0.000 0.208 100 L C 2.514 179.318 176.870 -0.110 0.000 1.071 100 L CA 1.825 56.504 54.840 -0.267 0.000 0.745 100 L CB -1.488 40.364 42.059 -0.345 0.000 0.892 100 L HN 0.388 nan 8.230 nan 0.000 0.431 101 Q N -0.713 119.034 119.800 -0.088 0.000 2.248 101 Q HA -0.257 4.082 4.340 -0.001 0.000 0.208 101 Q C 1.562 177.540 176.000 -0.037 0.000 0.984 101 Q CA 1.793 57.567 55.803 -0.049 0.000 0.875 101 Q CB 0.068 28.777 28.738 -0.050 0.000 0.910 101 Q HN 0.460 nan 8.270 nan 0.000 0.433 102 D N 0.320 120.711 120.400 -0.015 0.000 2.117 102 D HA -0.078 4.561 4.640 -0.001 0.000 0.198 102 D C -0.030 176.260 176.300 -0.016 0.000 0.982 102 D CA 1.288 55.293 54.000 0.009 0.000 0.828 102 D CB 0.137 41.012 40.800 0.124 0.000 0.967 102 D HN 0.219 nan 8.370 nan 0.000 0.464 103 D N -1.068 119.337 120.400 0.008 0.000 2.823 103 D HA 0.077 4.716 4.640 -0.001 0.000 0.255 103 D C 0.652 176.957 176.300 0.008 0.000 1.257 103 D CA -0.241 53.759 54.000 -0.000 0.000 0.803 103 D CB 0.077 40.875 40.800 -0.004 0.000 1.384 103 D HN -0.228 nan 8.370 nan 0.000 0.541 104 I N 1.183 121.743 120.570 -0.016 0.000 2.208 104 I HA -0.154 4.015 4.170 -0.001 0.000 0.245 104 I C 1.856 177.965 176.117 -0.013 0.000 1.097 104 I CA 1.703 62.986 61.300 -0.028 0.000 1.363 104 I CB -0.111 37.856 38.000 -0.055 0.000 1.051 104 I HN 0.441 nan 8.210 nan 0.000 0.413 105 E N -0.236 119.961 120.200 -0.006 0.000 2.160 105 E HA -0.220 4.130 4.350 -0.001 0.000 0.195 105 E C 2.213 178.832 176.600 0.032 0.000 0.991 105 E CA 1.757 58.163 56.400 0.011 0.000 0.810 105 E CB -0.029 29.683 29.700 0.020 0.000 0.742 105 E HN 0.651 nan 8.360 nan 0.000 0.466 106 S N -0.796 114.927 115.700 0.038 0.000 2.492 106 S HA 0.104 4.573 4.470 -0.001 0.000 0.218 106 S C 1.168 175.815 174.600 0.078 0.000 1.016 106 S CA -0.305 57.929 58.200 0.057 0.000 0.916 106 S CB 0.123 63.356 63.200 0.055 0.000 0.791 106 S HN -0.019 nan 8.310 nan 0.000 0.513 110 I N 0.400 121.066 120.570 0.159 0.000 2.368 110 I HA -0.013 4.157 4.170 -0.001 0.000 0.238 110 I C 2.257 178.573 176.117 0.331 0.000 1.076 110 I CA 0.600 62.028 61.300 0.213 0.000 1.397 110 I CB -1.087 37.048 38.000 0.224 0.000 1.141 110 I HN -0.235 nan 8.210 nan 0.000 0.430 111 V N -0.058 120.048 119.914 0.321 0.000 2.720 111 V HA -0.221 3.899 4.120 -0.001 0.000 0.256 111 V C 1.179 177.530 176.094 0.427 0.000 1.082 111 V CA 1.463 63.990 62.300 0.378 0.000 1.101 111 V CB -0.365 31.595 31.823 0.229 0.000 0.693 111 V HN 0.363 nan 8.190 nan 0.000 0.479 112 Y N -0.697 119.701 120.300 0.162 0.000 3.175 112 Y HA 0.427 4.976 4.550 -0.001 0.000 0.313 112 Y C 0.784 176.718 175.900 0.057 0.000 1.525 112 Y CA -0.707 57.459 58.100 0.111 0.000 0.992 112 Y CB 0.980 39.495 38.460 0.091 0.000 1.347 112 Y HN -0.151 nan 8.280 nan 0.000 0.691 113 T N 3.628 117.916 114.554 -0.443 0.000 2.930 113 T HA 0.196 4.545 4.350 -0.001 0.000 0.306 113 T C -2.000 172.642 174.700 -0.098 0.000 1.045 113 T CA -1.302 60.604 62.100 -0.324 0.000 1.134 113 T CB 0.629 69.230 68.868 -0.444 0.000 0.961 113 T HN 0.460 nan 8.240 nan 0.000 0.545 114 P HA 0.148 nan 4.420 nan 0.000 0.252 114 P C 1.256 178.492 177.300 -0.106 0.000 1.218 114 P CA 0.256 63.283 63.100 -0.121 0.000 0.807 114 P CB 0.075 31.711 31.700 -0.107 0.000 1.072 115 T N -0.058 114.456 114.554 -0.066 0.000 2.833 115 T HA -0.111 4.238 4.350 -0.001 0.000 0.269 115 T C 1.809 176.379 174.700 -0.217 0.000 1.054 115 T CA 1.029 63.075 62.100 -0.090 0.000 1.135 115 T CB -1.023 67.846 68.868 0.002 0.000 0.869 115 T HN -0.078 nan 8.240 nan 0.000 0.466 116 V N 1.778 121.587 119.914 -0.175 0.000 2.287 116 V HA -0.101 4.018 4.120 -0.001 0.000 0.248 116 V C 2.638 178.592 176.094 -0.234 0.000 1.053 116 V CA 2.399 64.563 62.300 -0.225 0.000 1.027 116 V CB -1.146 30.633 31.823 -0.073 0.000 0.646 116 V HN 0.571 nan 8.190 nan 0.000 0.447 117 G N -0.268 108.421 108.800 -0.186 0.000 2.450 117 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.220 117 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.220 117 G C 1.532 176.353 174.900 -0.132 0.000 1.130 117 G CA 1.197 46.208 45.100 -0.150 0.000 0.760 117 G HN 0.588 nan 8.290 nan 0.000 0.557 118 L N 0.847 121.982 121.223 -0.147 0.000 2.156 118 L HA 0.352 4.691 4.340 -0.001 0.000 0.208 118 L C 2.855 179.638 176.870 -0.145 0.000 1.095 118 L CA 1.927 56.695 54.840 -0.120 0.000 0.770 118 L CB -0.502 41.493 42.059 -0.106 0.000 0.914 118 L HN 0.166 nan 8.230 nan 0.000 0.439 119 A N -0.753 121.912 122.820 -0.258 0.000 1.873 119 A HA -0.196 4.123 4.320 -0.001 0.000 0.215 119 A C 2.367 179.923 177.584 -0.047 0.000 1.186 119 A CA 1.706 53.583 52.037 -0.266 0.000 0.616 119 A CB -1.492 17.061 19.000 -0.745 0.000 0.823 119 A HN 0.621 nan 8.150 nan 0.000 0.442 120 C N -0.133 119.108 119.300 -0.100 0.000 2.413 120 C HA -0.127 4.333 4.460 -0.001 0.000 0.276 120 C C 3.350 178.337 174.990 -0.005 0.000 1.236 120 C CA 1.550 60.500 59.018 -0.114 0.000 1.735 120 C CB -1.290 26.352 27.740 -0.163 0.000 2.031 120 C HN 0.793 nan 8.230 nan 0.000 0.474 121 S N 1.180 116.881 115.700 0.002 0.000 2.461 121 S HA -0.242 4.228 4.470 -0.001 0.000 0.246 121 S C 1.172 175.825 174.600 0.088 0.000 1.007 121 S CA 2.089 60.327 58.200 0.064 0.000 0.976 121 S CB -0.516 62.685 63.200 0.001 0.000 0.763 121 S HN 0.915 nan 8.310 nan 0.000 0.508 122 Q N -2.139 117.644 119.800 -0.028 0.000 2.155 122 Q HA 0.204 4.543 4.340 -0.001 0.000 0.278 122 Q C 0.161 176.083 176.000 -0.129 0.000 0.851 122 Q CA -0.622 55.138 55.803 -0.072 0.000 1.052 122 Q CB -0.865 27.765 28.738 -0.180 0.000 1.307 122 Q HN 0.288 nan 8.270 nan 0.000 0.403 123 Y N 2.146 122.070 120.300 -0.627 0.000 2.139 123 Y HA -0.177 4.372 4.550 -0.001 0.000 0.282 123 Y C 2.214 177.924 175.900 -0.317 0.000 1.179 123 Y CA 2.699 60.537 58.100 -0.437 0.000 1.161 123 Y CB -0.300 37.891 38.460 -0.448 0.000 0.970 123 Y HN 0.507 nan 8.280 nan 0.000 0.511 124 G N -2.794 105.680 108.800 -0.543 0.000 2.598 124 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.215 124 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.215 124 G C 1.019 175.890 174.900 -0.048 0.000 1.131 124 G CA 0.788 45.860 45.100 -0.047 0.000 0.785 124 G HN 0.482 nan 8.290 nan 0.000 0.539 125 H N -0.071 118.988 119.070 -0.019 0.000 2.486 125 H HA 0.177 4.732 4.556 -0.001 0.000 0.287 125 H C 2.167 177.457 175.328 -0.063 0.000 1.010 125 H CA 0.740 56.781 56.048 -0.011 0.000 1.324 125 H CB 0.099 29.947 29.762 0.142 0.000 1.446 125 H HN 0.512 nan 8.280 nan 0.000 0.537 126 I N -2.900 117.722 120.570 0.087 0.000 3.914 126 I HA 0.212 4.381 4.170 -0.001 0.000 0.333 126 I C -0.240 175.865 176.117 -0.020 0.000 1.449 126 I CA -0.475 60.847 61.300 0.037 0.000 1.135 126 I CB -0.181 37.860 38.000 0.069 0.000 1.073 126 I HN -0.139 nan 8.210 nan 0.000 0.401 127 F N 3.128 122.953 119.950 -0.208 0.000 2.563 127 F HA 0.267 4.793 4.527 -0.001 0.000 0.363 127 F C 1.019 176.711 175.800 -0.180 0.000 1.123 127 F CA 0.394 58.242 58.000 -0.254 0.000 1.307 127 F CB 0.471 39.317 39.000 -0.256 0.000 1.115 127 F HN 0.068 nan 8.300 nan 0.000 0.592 128 R N 3.542 123.577 120.500 -0.775 0.000 3.901 128 R HA 0.291 4.631 4.340 -0.001 0.000 0.145 128 R C -0.255 175.602 176.300 -0.739 0.000 1.166 128 R CA -0.124 55.666 56.100 -0.518 0.000 1.031 128 R CB -0.042 30.064 30.300 -0.322 0.000 1.380 128 R HN 0.503 nan 8.270 nan 0.000 0.464 129 R N 2.073 122.116 120.500 -0.763 0.000 2.670 129 R HA 0.450 4.789 4.340 -0.001 0.000 0.289 129 R C -2.379 173.544 176.300 -0.628 0.000 0.965 129 R CA -1.775 53.984 56.100 -0.567 0.000 0.899 129 R CB 2.226 32.347 30.300 -0.298 0.000 1.173 129 R HN 0.076 nan 8.270 nan 0.000 0.456 130 P HA 0.206 nan 4.420 nan 0.000 0.274 130 P C -1.309 176.085 177.300 0.158 0.000 1.237 130 P CA -0.402 62.779 63.100 0.135 0.000 0.793 130 P CB 1.011 32.919 31.700 0.347 0.000 0.977 131 K N 0.240 120.830 120.400 0.317 0.000 2.464 131 K HA 0.657 4.976 4.320 -0.001 0.000 0.253 131 K C -0.269 176.478 176.600 0.247 0.000 0.933 131 K CA -0.135 56.285 56.287 0.223 0.000 0.801 131 K CB 1.838 34.408 32.500 0.116 0.000 1.271 131 K HN 0.882 nan 8.250 nan 0.000 0.430 132 G N 1.161 110.125 108.800 0.272 0.000 2.829 132 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.628 132 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.628 132 G C -1.275 173.671 174.900 0.077 0.000 1.412 132 G CA -0.983 44.146 45.100 0.049 0.000 0.864 132 G HN 0.445 nan 8.290 nan 0.000 0.544 133 L N 0.134 121.194 121.223 -0.272 0.000 2.290 133 L HA 0.629 4.968 4.340 -0.001 0.000 0.284 133 L C -0.315 176.465 176.870 -0.149 0.000 1.078 133 L CA -0.351 54.432 54.840 -0.095 0.000 0.815 133 L CB 0.613 42.494 42.059 -0.297 0.000 1.162 133 L HN 0.439 nan 8.230 nan 0.000 0.435 134 F N 5.253 125.203 119.950 0.001 0.000 2.411 134 F HA 0.458 4.984 4.527 -0.001 0.000 0.352 134 F C 0.357 176.132 175.800 -0.041 0.000 1.123 134 F CA -0.390 57.590 58.000 -0.032 0.000 1.044 134 F CB 1.329 40.326 39.000 -0.004 0.000 1.135 134 F HN 0.209 nan 8.300 nan 0.000 0.461 135 I N 2.968 123.573 120.570 0.058 0.000 2.410 135 I HA 0.280 4.449 4.170 -0.001 0.000 0.286 135 I C -0.281 175.845 176.117 0.014 0.000 1.009 135 I CA -0.473 60.838 61.300 0.018 0.000 1.111 135 I CB 1.748 39.706 38.000 -0.070 0.000 1.262 135 I HN 0.557 nan 8.210 nan 0.000 0.443 136 S N 5.267 120.992 115.700 0.043 0.000 2.593 136 S HA 0.341 4.810 4.470 -0.001 0.000 0.297 136 S C 0.892 175.522 174.600 0.050 0.000 1.112 136 S CA -0.570 57.654 58.200 0.040 0.000 1.043 136 S CB 1.614 64.836 63.200 0.036 0.000 1.054 136 S HN 0.578 nan 8.310 nan 0.000 0.516 137 I N 3.798 124.405 120.570 0.062 0.000 2.248 137 I HA -0.104 4.066 4.170 -0.001 0.000 0.248 137 I C 2.217 178.380 176.117 0.076 0.000 1.107 137 I CA 1.735 63.084 61.300 0.080 0.000 1.373 137 I CB -0.639 37.422 38.000 0.100 0.000 1.055 137 I HN 0.763 nan 8.210 nan 0.000 0.418 138 S N 0.163 115.902 115.700 0.066 0.000 2.537 138 S HA -0.114 4.355 4.470 -0.001 0.000 0.240 138 S C 1.108 175.754 174.600 0.078 0.000 0.981 138 S CA 1.083 59.321 58.200 0.064 0.000 0.948 138 S CB -0.483 62.745 63.200 0.045 0.000 0.759 138 S HN 0.539 nan 8.310 nan 0.000 0.531 139 D N 1.092 121.545 120.400 0.087 0.000 2.395 139 D HA 0.047 4.686 4.640 -0.001 0.000 0.213 139 D C 0.319 176.715 176.300 0.159 0.000 1.110 139 D CA -0.082 53.990 54.000 0.121 0.000 0.835 139 D CB 0.208 41.063 40.800 0.091 0.000 0.965 139 D HN 0.535 nan 8.370 nan 0.000 0.505 140 R N 0.122 120.694 120.500 0.119 0.000 2.537 140 R HA 0.285 4.624 4.340 -0.001 0.000 0.281 140 R C 1.128 177.464 176.300 0.060 0.000 0.988 140 R CA 0.784 56.934 56.100 0.084 0.000 1.077 140 R CB 0.007 30.350 30.300 0.071 0.000 0.932 140 R HN -0.002 nan 8.270 nan 0.000 0.409 141 G N 1.685 110.472 108.800 -0.022 0.000 2.284 141 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.230 141 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.230 141 G C 0.521 175.228 174.900 -0.321 0.000 1.021 141 G CA 0.169 45.153 45.100 -0.193 0.000 0.619 141 G HN 0.803 nan 8.290 nan 0.000 0.510 142 H N 0.159 119.244 119.070 0.024 0.000 2.581 142 H HA 0.410 4.965 4.556 -0.001 0.000 0.275 142 H C 2.196 177.539 175.328 0.025 0.000 1.126 142 H CA 0.464 56.525 56.048 0.022 0.000 1.097 142 H CB 0.621 30.397 29.762 0.023 0.000 1.626 142 H HN 0.267 nan 8.280 nan 0.000 0.565 143 V N 1.202 121.181 119.914 0.109 0.000 2.453 143 V HA -0.301 3.818 4.120 -0.001 0.000 0.252 143 V C 2.713 178.848 176.094 0.069 0.000 1.068 143 V CA 1.939 64.293 62.300 0.090 0.000 1.070 143 V CB -0.339 31.529 31.823 0.076 0.000 0.664 143 V HN 0.230 nan 8.190 nan 0.000 0.461 144 R N 1.138 121.662 120.500 0.041 0.000 2.148 144 R HA -0.101 4.238 4.340 -0.001 0.000 0.227 144 R C 2.471 178.790 176.300 0.032 0.000 1.103 144 R CA 1.687 57.794 56.100 0.011 0.000 0.983 144 R CB -0.676 29.615 30.300 -0.015 0.000 0.874 144 R HN 0.709 nan 8.270 nan 0.000 0.451 145 S N -0.525 115.217 115.700 0.069 0.000 2.387 145 S HA -0.050 4.419 4.470 -0.001 0.000 0.226 145 S C 2.098 176.744 174.600 0.076 0.000 1.026 145 S CA 0.991 59.234 58.200 0.070 0.000 0.972 145 S CB -0.423 62.833 63.200 0.094 0.000 0.814 145 S HN 0.304 nan 8.310 nan 0.000 0.477 146 I N 1.396 122.021 120.570 0.091 0.000 2.179 146 I HA -0.131 4.038 4.170 -0.001 0.000 0.242 146 I C 2.474 178.668 176.117 0.129 0.000 1.088 146 I CA 1.130 62.494 61.300 0.108 0.000 1.357 146 I CB -0.465 37.600 38.000 0.108 0.000 1.051 146 I HN 0.228 nan 8.210 nan 0.000 0.409 147 V N 0.914 120.886 119.914 0.097 0.000 2.407 147 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 147 V C 1.528 177.692 176.094 0.117 0.000 1.055 147 V CA 2.009 64.365 62.300 0.092 0.000 1.049 147 V CB -0.670 31.155 31.823 0.005 0.000 0.662 147 V HN 0.400 nan 8.190 nan 0.000 0.455 148 D N -0.247 120.194 120.400 0.067 0.000 2.363 148 D HA -0.041 4.598 4.640 -0.001 0.000 0.226 148 D C 1.592 177.958 176.300 0.109 0.000 1.020 148 D CA 0.324 54.359 54.000 0.058 0.000 0.892 148 D CB -0.286 40.520 40.800 0.010 0.000 0.900 148 D HN 0.321 nan 8.370 nan 0.000 0.531 149 N N -0.458 118.334 118.700 0.154 0.000 2.412 149 N HA -0.042 4.697 4.740 -0.001 0.000 0.184 149 N C -0.220 175.413 175.510 0.206 0.000 1.101 149 N CA -0.076 53.061 53.050 0.145 0.000 0.881 149 N CB 0.119 38.690 38.487 0.139 0.000 0.969 149 N HN 0.334 nan 8.380 nan 0.000 0.459 150 W N 2.509 123.852 121.300 0.072 0.000 2.304 150 W HA 0.098 4.757 4.660 -0.001 0.000 0.313 150 W C -1.616 174.957 176.519 0.090 0.000 1.323 150 W CA -1.494 55.907 57.345 0.094 0.000 1.223 150 W CB 1.059 30.609 29.460 0.149 0.000 1.237 150 W HN 0.083 nan 8.180 nan 0.000 0.535 151 P HA -0.217 nan 4.420 nan 0.000 0.214 151 P C -0.017 177.144 177.300 -0.233 0.000 1.163 151 P CA 1.753 64.595 63.100 -0.429 0.000 0.889 151 P CB 0.148 31.499 31.700 -0.581 0.000 0.790 152 E N 0.387 120.419 120.200 -0.280 0.000 2.354 152 E HA 0.045 4.394 4.350 -0.001 0.000 0.269 152 E C 0.701 177.491 176.600 0.316 0.000 1.036 152 E CA 0.080 56.526 56.400 0.078 0.000 0.876 152 E CB -0.030 29.770 29.700 0.165 0.000 1.009 152 E HN 0.407 nan 8.360 nan 0.000 0.416 153 N N 1.287 120.154 118.700 0.278 0.000 2.187 153 N HA -0.041 4.698 4.740 -0.001 0.000 0.212 153 N C 0.060 175.813 175.510 0.405 0.000 1.152 153 N CA -0.005 53.286 53.050 0.401 0.000 0.872 153 N CB 0.355 38.983 38.487 0.235 0.000 1.025 153 N HN 0.395 nan 8.380 nan 0.000 0.514 154 H N 0.665 119.832 119.070 0.161 0.000 2.591 154 H HA 0.334 4.889 4.556 -0.001 0.000 0.241 154 H C -0.793 174.459 175.328 -0.126 0.000 1.292 154 H CA -0.313 55.778 56.048 0.072 0.000 1.022 154 H CB 0.223 30.022 29.762 0.061 0.000 1.875 154 H HN -0.172 nan 8.280 nan 0.000 0.570 155 V N 2.278 121.896 119.914 -0.494 0.000 2.540 155 V HA -0.039 4.081 4.120 -0.001 0.000 0.297 155 V C 0.929 176.802 176.094 -0.369 0.000 1.024 155 V CA 0.732 62.654 62.300 -0.629 0.000 1.105 155 V CB 1.105 32.116 31.823 -1.354 0.000 0.938 155 V HN 0.645 nan 8.190 nan 0.000 0.482 156 K N 3.222 123.528 120.400 -0.156 0.000 2.425 156 K HA 0.443 4.762 4.320 -0.001 0.000 0.201 156 K C 0.229 176.817 176.600 -0.020 0.000 1.128 156 K CA 0.423 56.688 56.287 -0.037 0.000 1.000 156 K CB 1.466 34.001 32.500 0.058 0.000 0.961 156 K HN 0.681 nan 8.250 nan 0.000 0.555 157 A N 1.160 123.934 122.820 -0.076 0.000 2.455 157 A HA 0.613 4.932 4.320 -0.001 0.000 0.300 157 A C -1.109 176.375 177.584 -0.168 0.000 1.040 157 A CA -0.548 51.465 52.037 -0.041 0.000 0.697 157 A CB 1.808 20.843 19.000 0.058 0.000 1.265 157 A HN -0.094 nan 8.150 nan 0.000 0.407 158 V N 2.017 121.853 119.914 -0.130 0.000 2.638 158 V HA 0.547 4.666 4.120 -0.001 0.000 0.306 158 V C -0.702 175.281 176.094 -0.185 0.000 1.052 158 V CA -0.569 61.619 62.300 -0.186 0.000 0.885 158 V CB 1.837 33.583 31.823 -0.127 0.000 0.999 158 V HN 0.711 nan 8.190 nan 0.000 0.424 159 V N 5.379 125.137 119.914 -0.259 0.000 2.350 159 V HA 0.513 4.632 4.120 -0.001 0.000 0.285 159 V C -0.288 175.643 176.094 -0.272 0.000 1.014 159 V CA -0.553 61.595 62.300 -0.254 0.000 0.831 159 V CB 1.739 33.394 31.823 -0.280 0.000 1.000 159 V HN 0.624 nan 8.190 nan 0.000 0.433 160 V N 4.788 124.520 119.914 -0.302 0.000 2.628 160 V HA 0.851 4.970 4.120 -0.001 0.000 0.306 160 V C -0.174 175.805 176.094 -0.190 0.000 1.045 160 V CA 0.229 62.315 62.300 -0.357 0.000 0.905 160 V CB 2.427 33.913 31.823 -0.563 0.000 0.997 160 V HN 0.935 nan 8.190 nan 0.000 0.436 161 T N 2.620 117.026 114.554 -0.247 0.000 2.865 161 T HA 0.482 4.831 4.350 -0.001 0.000 0.294 161 T C -0.547 173.830 174.700 -0.538 0.000 1.119 161 T CA 0.163 62.082 62.100 -0.301 0.000 1.007 161 T CB 1.773 70.490 68.868 -0.252 0.000 1.225 161 T HN 0.934 nan 8.240 nan 0.000 0.515 162 D N -0.265 119.667 120.400 -0.780 0.000 2.527 162 D HA 0.211 4.851 4.640 -0.001 0.000 0.224 162 D C 1.242 177.343 176.300 -0.331 0.000 1.217 162 D CA 0.586 54.266 54.000 -0.533 0.000 0.819 162 D CB -0.338 40.110 40.800 -0.587 0.000 1.061 162 D HN 1.064 nan 8.370 nan 0.000 0.515 163 G N 1.738 110.350 108.800 -0.313 0.000 2.258 163 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.274 163 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.274 163 G C 0.701 175.516 174.900 -0.142 0.000 1.021 163 G CA 0.986 45.977 45.100 -0.182 0.000 0.798 163 G HN 0.529 nan 8.290 nan 0.000 0.507 164 E N -0.549 119.548 120.200 -0.172 0.000 2.122 164 E HA 0.069 4.418 4.350 -0.001 0.000 0.190 164 E C 1.749 178.308 176.600 -0.069 0.000 0.977 164 E CA 0.441 56.775 56.400 -0.110 0.000 0.820 164 E CB 0.063 29.700 29.700 -0.105 0.000 0.770 164 E HN 0.289 nan 8.360 nan 0.000 0.462 165 R N 1.349 121.812 120.500 -0.061 0.000 2.868 165 R HA 0.191 4.530 4.340 -0.001 0.000 0.289 165 R C -0.937 175.334 176.300 -0.048 0.000 1.443 165 R CA -0.491 55.587 56.100 -0.036 0.000 1.651 165 R CB 0.191 30.489 30.300 -0.005 0.000 1.242 165 R HN 0.182 nan 8.270 nan 0.000 0.621 166 I N 5.165 125.698 120.570 -0.061 0.000 2.372 166 I HA 0.005 4.174 4.170 -0.001 0.000 0.298 166 I C 1.499 177.576 176.117 -0.067 0.000 1.137 166 I CA 0.561 61.818 61.300 -0.072 0.000 1.314 166 I CB -0.884 37.072 38.000 -0.073 0.000 1.444 166 I HN 0.612 nan 8.210 nan 0.000 0.541 167 L N 4.536 125.718 121.223 -0.068 0.000 6.889 167 L HA -0.291 4.049 4.340 -0.001 0.000 0.053 167 L C 1.289 178.129 176.870 -0.050 0.000 1.907 167 L CA 1.348 56.147 54.840 -0.069 0.000 1.578 167 L CB -1.450 40.552 42.059 -0.094 0.000 2.819 167 L HN 0.621 nan 8.230 nan 0.000 1.095 168 G N -1.096 107.674 108.800 -0.051 0.000 3.805 168 G HA2 0.452 4.411 3.960 -0.001 0.000 0.290 168 G HA3 0.452 4.411 3.960 -0.001 0.000 0.290 168 G C 0.485 175.363 174.900 -0.038 0.000 1.077 168 G CA -0.100 44.976 45.100 -0.039 0.000 0.852 168 G HN 0.186 nan 8.290 nan 0.000 0.531 169 L N -0.083 121.115 121.223 -0.041 0.000 2.463 169 L HA 0.441 4.780 4.340 -0.001 0.000 0.219 169 L C 1.654 178.506 176.870 -0.030 0.000 1.088 169 L CA 1.225 56.045 54.840 -0.035 0.000 0.849 169 L CB -0.238 41.798 42.059 -0.038 0.000 1.012 169 L HN 0.429 nan 8.230 nan 0.000 0.468 170 G N -0.850 107.930 108.800 -0.033 0.000 2.545 170 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 170 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 170 G C -0.611 174.265 174.900 -0.040 0.000 1.314 170 G CA -0.290 44.790 45.100 -0.033 0.000 0.906 170 G HN 0.033 nan 8.290 nan 0.000 0.563 171 D N 1.071 121.443 120.400 -0.046 0.000 2.349 171 D HA 0.298 4.937 4.640 -0.001 0.000 0.266 171 D C 1.490 177.755 176.300 -0.058 0.000 1.293 171 D CA 0.167 54.130 54.000 -0.060 0.000 0.926 171 D CB 0.239 40.996 40.800 -0.072 0.000 1.090 171 D HN 0.385 nan 8.370 nan 0.000 0.502 172 L N 2.853 124.055 121.223 -0.036 0.000 2.766 172 L HA 0.232 4.571 4.340 -0.001 0.000 0.242 172 L C 1.655 178.553 176.870 0.046 0.000 1.136 172 L CA 0.077 54.926 54.840 0.016 0.000 0.933 172 L CB -0.057 42.048 42.059 0.077 0.000 1.241 172 L HN 0.614 nan 8.230 nan 0.000 0.522 173 G N 0.889 109.695 108.800 0.009 0.000 2.574 173 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.286 173 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.286 173 G C 0.584 175.567 174.900 0.140 0.000 1.212 173 G CA 0.093 45.252 45.100 0.098 0.000 0.979 173 G HN -0.097 nan 8.290 nan 0.000 0.557 174 V N 0.650 120.692 119.914 0.214 0.000 3.444 174 V HA 0.046 4.166 4.120 -0.001 0.000 0.271 174 V C 1.943 178.206 176.094 0.281 0.000 1.188 174 V CA 1.978 64.358 62.300 0.132 0.000 1.168 174 V CB -0.928 30.900 31.823 0.009 0.000 0.810 174 V HN 0.536 nan 8.190 nan 0.000 0.500 175 Y N 0.906 121.283 120.300 0.129 0.000 2.561 175 Y HA 0.181 4.730 4.550 -0.001 0.000 0.291 175 Y C 1.890 177.655 175.900 -0.225 0.000 1.141 175 Y CA -0.248 57.903 58.100 0.085 0.000 1.303 175 Y CB 0.315 38.891 38.460 0.193 0.000 1.015 175 Y HN 0.452 nan 8.280 nan 0.000 0.547 179 I N 2.166 122.647 120.570 -0.149 0.000 2.142 179 I HA -0.018 4.151 4.170 -0.001 0.000 0.240 179 I C -0.244 175.841 176.117 -0.054 0.000 1.078 179 I CA 1.420 62.672 61.300 -0.080 0.000 1.343 179 I CB -1.812 36.119 38.000 -0.115 0.000 1.046 179 I HN 0.056 nan 8.210 nan 0.000 0.405 180 P HA -0.055 nan 4.420 nan 0.000 0.218 180 P C 2.187 179.435 177.300 -0.086 0.000 1.149 180 P CA 0.913 63.932 63.100 -0.136 0.000 0.817 180 P CB -0.016 31.559 31.700 -0.208 0.000 0.785 181 V N 0.294 120.185 119.914 -0.038 0.000 2.261 181 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 181 V C 2.669 178.819 176.094 0.094 0.000 1.047 181 V CA 2.556 64.871 62.300 0.024 0.000 1.015 181 V CB -1.972 29.905 31.823 0.090 0.000 0.642 181 V HN 0.158 nan 8.190 nan 0.000 0.446 182 G N -0.612 108.280 108.800 0.154 0.000 2.432 182 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 182 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 182 G C 1.629 176.697 174.900 0.280 0.000 1.135 182 G CA 0.975 46.230 45.100 0.258 0.000 0.767 182 G HN 0.412 nan 8.290 nan 0.000 0.550 183 K N 0.074 120.599 120.400 0.209 0.000 2.057 183 K HA 0.117 4.436 4.320 -0.001 0.000 0.207 183 K C 2.398 179.209 176.600 0.351 0.000 1.049 183 K CA 0.738 57.163 56.287 0.230 0.000 0.931 183 K CB -0.416 32.065 32.500 -0.031 0.000 0.714 183 K HN 0.328 nan 8.250 nan 0.000 0.440 184 L N -0.419 120.861 121.223 0.095 0.000 2.376 184 L HA -0.154 4.185 4.340 -0.001 0.000 0.219 184 L C 2.158 179.166 176.870 0.229 0.000 1.133 184 L CA 0.388 55.215 54.840 -0.020 0.000 0.816 184 L CB -0.223 41.706 42.059 -0.216 0.000 0.933 184 L HN 0.249 nan 8.230 nan 0.000 0.449 185 C N -0.103 119.369 119.300 0.288 0.000 2.446 185 C HA -0.099 4.361 4.460 -0.001 0.000 0.277 185 C C 2.448 177.672 174.990 0.390 0.000 1.275 185 C CA 0.472 59.739 59.018 0.414 0.000 1.727 185 C CB -0.621 27.331 27.740 0.353 0.000 2.010 185 C HN 0.444 nan 8.230 nan 0.000 0.486 186 L N -1.066 120.340 121.223 0.305 0.000 2.622 186 L HA -0.056 4.283 4.340 -0.001 0.000 0.233 186 L C 1.941 178.918 176.870 0.177 0.000 1.156 186 L CA 0.777 55.714 54.840 0.162 0.000 0.866 186 L CB -0.616 41.464 42.059 0.036 0.000 0.980 186 L HN 0.360 nan 8.230 nan 0.000 0.448 187 Y N 0.219 120.600 120.300 0.135 0.000 2.365 187 Y HA -0.098 4.451 4.550 -0.001 0.000 0.293 187 Y C 2.659 178.554 175.900 -0.008 0.000 1.119 187 Y CA 1.323 59.480 58.100 0.094 0.000 1.203 187 Y CB -0.011 38.521 38.460 0.120 0.000 1.026 187 Y HN 0.058 nan 8.280 nan 0.000 0.549 188 T N -1.085 113.551 114.554 0.135 0.000 2.983 188 T HA 0.070 4.420 4.350 -0.001 0.000 0.250 188 T C 2.148 176.843 174.700 -0.009 0.000 1.037 188 T CA 0.850 62.888 62.100 -0.103 0.000 1.142 188 T CB -0.383 68.121 68.868 -0.606 0.000 0.876 188 T HN 0.273 nan 8.240 nan 0.000 0.455 189 A N 0.503 123.408 122.820 0.141 0.000 1.930 189 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 189 A C 2.506 180.103 177.584 0.021 0.000 1.175 189 A CA 1.366 53.494 52.037 0.152 0.000 0.627 189 A CB -1.086 18.013 19.000 0.165 0.000 0.815 189 A HN 0.613 nan 8.150 nan 0.000 0.443 190 C N -1.956 117.321 119.300 -0.038 0.000 2.611 190 C HA 0.426 4.885 4.460 -0.001 0.000 0.283 190 C C 3.016 177.946 174.990 -0.101 0.000 1.340 190 C CA 0.578 59.527 59.018 -0.116 0.000 1.716 190 C CB -0.819 26.780 27.740 -0.235 0.000 2.134 190 C HN 0.658 nan 8.230 nan 0.000 0.526 191 A N -0.346 122.410 122.820 -0.106 0.000 2.275 191 A HA 0.462 4.781 4.320 -0.001 0.000 0.212 191 A C 1.549 179.113 177.584 -0.033 0.000 1.201 191 A CA 1.059 53.042 52.037 -0.090 0.000 0.843 191 A CB -0.779 18.137 19.000 -0.139 0.000 0.873 191 A HN 1.347 nan 8.150 nan 0.000 0.492 192 G N -0.290 108.513 108.800 0.006 0.000 2.225 192 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.264 192 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.264 192 G C -0.038 174.909 174.900 0.078 0.000 1.060 192 G CA 0.320 45.466 45.100 0.076 0.000 0.833 192 G HN 0.445 nan 8.290 nan 0.000 0.498 193 I N 0.907 121.485 120.570 0.014 0.000 2.441 193 I HA 0.237 4.406 4.170 -0.001 0.000 0.287 193 I C 1.421 177.420 176.117 -0.197 0.000 1.049 193 I CA -0.778 60.516 61.300 -0.010 0.000 1.381 193 I CB 0.597 38.657 38.000 0.101 0.000 1.409 193 I HN 0.126 nan 8.210 nan 0.000 0.523 194 R N 7.316 127.676 120.500 -0.234 0.000 2.504 194 R HA -0.025 4.314 4.340 -0.001 0.000 0.291 194 R C -1.731 174.242 176.300 -0.546 0.000 0.974 194 R CA -0.938 54.834 56.100 -0.547 0.000 1.077 194 R CB -0.105 30.036 30.300 -0.265 0.000 0.926 194 R HN 0.392 nan 8.270 nan 0.000 0.407 195 P HA -0.162 nan 4.420 nan 0.000 0.218 195 P C 0.529 177.694 177.300 -0.224 0.000 1.149 195 P CA 1.216 64.028 63.100 -0.481 0.000 0.817 195 P CB 0.101 31.482 31.700 -0.531 0.000 0.785 196 D N -1.388 118.888 120.400 -0.207 0.000 2.349 196 D HA -0.072 4.568 4.640 -0.001 0.000 0.224 196 D C 1.079 177.365 176.300 -0.022 0.000 1.029 196 D CA 0.422 54.386 54.000 -0.061 0.000 0.879 196 D CB -0.329 40.444 40.800 -0.045 0.000 0.906 196 D HN 0.116 nan 8.370 nan 0.000 0.528 197 R N -0.165 120.288 120.500 -0.078 0.000 2.509 197 R HA 0.252 4.591 4.340 -0.001 0.000 0.300 197 R C -0.219 176.020 176.300 -0.103 0.000 0.985 197 R CA -0.241 55.825 56.100 -0.056 0.000 1.092 197 R CB -0.102 30.182 30.300 -0.026 0.000 1.237 197 R HN 0.136 nan 8.270 nan 0.000 0.546 198 C N 1.030 120.264 119.300 -0.111 0.000 2.529 198 C HA 0.719 5.178 4.460 -0.001 0.000 0.329 198 C C -0.460 174.421 174.990 -0.181 0.000 1.194 198 C CA -1.002 57.912 59.018 -0.174 0.000 1.779 198 C CB 1.645 29.267 27.740 -0.197 0.000 2.322 198 C HN 0.353 nan 8.230 nan 0.000 0.500 199 L N 4.484 125.528 121.223 -0.298 0.000 2.580 199 L HA 0.603 4.942 4.340 -0.001 0.000 0.266 199 L C -2.850 173.777 176.870 -0.406 0.000 0.955 199 L CA -1.301 53.279 54.840 -0.432 0.000 0.886 199 L CB 2.023 43.689 42.059 -0.656 0.000 1.263 199 L HN 0.435 nan 8.230 nan 0.000 0.406 200 P HA 0.430 nan 4.420 nan 0.000 0.296 200 P C -1.257 175.806 177.300 -0.395 0.000 1.306 200 P CA -0.312 62.593 63.100 -0.326 0.000 0.818 200 P CB 1.977 33.537 31.700 -0.235 0.000 0.969 201 V N 3.412 123.095 119.914 -0.384 0.000 2.769 201 V HA 0.467 4.586 4.120 -0.001 0.000 0.312 201 V C -0.130 175.691 176.094 -0.454 0.000 1.061 201 V CA -0.533 61.508 62.300 -0.432 0.000 0.931 201 V CB 2.478 34.052 31.823 -0.416 0.000 1.010 201 V HN 0.752 nan 8.190 nan 0.000 0.433 202 C N 5.953 124.967 119.300 -0.476 0.000 2.396 202 C HA 0.644 5.104 4.460 -0.001 0.000 0.321 202 C C -0.547 174.259 174.990 -0.307 0.000 1.233 202 C CA -0.527 58.250 59.018 -0.403 0.000 1.440 202 C CB -0.024 27.448 27.740 -0.446 0.000 2.110 202 C HN 0.771 nan 8.230 nan 0.000 0.473 203 I N 5.444 125.838 120.570 -0.295 0.000 2.337 203 I HA 0.231 4.400 4.170 -0.001 0.000 0.285 203 I C -0.290 175.770 176.117 -0.095 0.000 1.041 203 I CA 0.250 61.421 61.300 -0.216 0.000 1.199 203 I CB 0.991 38.829 38.000 -0.271 0.000 1.370 203 I HN 0.695 nan 8.210 nan 0.000 0.470 204 D N 6.789 127.173 120.400 -0.027 0.000 2.411 204 D HA 0.181 4.820 4.640 -0.001 0.000 0.225 204 D C 0.692 177.021 176.300 0.048 0.000 1.156 204 D CA -0.287 53.724 54.000 0.017 0.000 0.874 204 D CB 1.176 41.995 40.800 0.032 0.000 1.034 204 D HN 0.370 nan 8.370 nan 0.000 0.502 205 V N 1.789 121.745 119.914 0.071 0.000 3.214 205 V HA 0.677 4.797 4.120 -0.001 0.000 0.330 205 V C 0.860 176.986 176.094 0.054 0.000 1.403 205 V CA 0.365 62.727 62.300 0.104 0.000 1.143 205 V CB -0.476 31.480 31.823 0.222 0.000 1.098 205 V HN 0.703 nan 8.190 nan 0.000 0.463 206 G N -0.099 108.725 108.800 0.042 0.000 2.549 206 G HA2 0.236 4.195 3.960 -0.001 0.000 0.404 206 G HA3 0.236 4.195 3.960 -0.001 0.000 0.404 206 G C -0.402 174.491 174.900 -0.012 0.000 1.292 206 G CA 0.062 45.177 45.100 0.025 0.000 0.935 206 G HN 1.364 nan 8.290 nan 0.000 0.512 207 T N -1.637 112.879 114.554 -0.063 0.000 2.853 207 T HA 0.608 4.957 4.350 -0.001 0.000 0.311 207 T C -0.714 173.913 174.700 -0.122 0.000 1.307 207 T CA 0.338 62.369 62.100 -0.116 0.000 1.019 207 T CB 1.813 70.551 68.868 -0.218 0.000 1.264 207 T HN 0.455 nan 8.240 nan 0.000 0.497 208 D N 1.701 122.034 120.400 -0.112 0.000 2.363 208 D HA 0.096 4.735 4.640 -0.001 0.000 0.214 208 D C 0.196 176.434 176.300 -0.102 0.000 1.093 208 D CA -0.087 53.858 54.000 -0.091 0.000 0.837 208 D CB 0.276 41.035 40.800 -0.068 0.000 0.948 208 D HN 0.403 nan 8.370 nan 0.000 0.507 209 N N 1.981 120.593 118.700 -0.146 0.000 2.421 209 N HA -0.016 4.723 4.740 -0.001 0.000 0.260 209 N C 1.204 176.622 175.510 -0.154 0.000 1.173 209 N CA -0.231 52.730 53.050 -0.148 0.000 0.960 209 N CB 0.460 38.834 38.487 -0.189 0.000 1.273 209 N HN -0.110 nan 8.380 nan 0.000 0.497 210 I N 3.499 124.010 120.570 -0.098 0.000 2.185 210 I HA -0.305 3.865 4.170 -0.001 0.000 0.246 210 I C 2.213 178.283 176.117 -0.077 0.000 1.088 210 I CA 1.226 62.480 61.300 -0.076 0.000 1.347 210 I CB -0.778 37.193 38.000 -0.048 0.000 1.041 210 I HN 0.636 nan 8.210 nan 0.000 0.415 211 A N -0.212 122.564 122.820 -0.073 0.000 1.902 211 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 211 A C 2.358 179.897 177.584 -0.074 0.000 1.181 211 A CA 1.531 53.538 52.037 -0.050 0.000 0.623 211 A CB -0.874 18.110 19.000 -0.026 0.000 0.818 211 A HN 0.428 nan 8.150 nan 0.000 0.443 212 L N -0.778 120.335 121.223 -0.182 0.000 2.093 212 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 212 L C 2.505 179.193 176.870 -0.304 0.000 1.085 212 L CA 0.854 55.480 54.840 -0.356 0.000 0.755 212 L CB -0.530 41.064 42.059 -0.774 0.000 0.904 212 L HN 0.370 nan 8.230 nan 0.000 0.435 213 L N 0.296 121.382 121.223 -0.228 0.000 2.127 213 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 213 L C 1.791 178.739 176.870 0.131 0.000 1.089 213 L CA 1.406 56.239 54.840 -0.012 0.000 0.757 213 L CB -0.267 41.771 42.059 -0.036 0.000 0.899 213 L HN 0.371 nan 8.230 nan 0.000 0.434 214 K N -0.794 119.623 120.400 0.029 0.000 2.570 214 K HA 0.183 4.502 4.320 -0.001 0.000 0.210 214 K C -0.446 176.167 176.600 0.021 0.000 1.048 214 K CA -0.191 56.098 56.287 0.003 0.000 1.167 214 K CB -0.029 32.455 32.500 -0.027 0.000 0.892 214 K HN -0.002 nan 8.250 nan 0.000 0.480 215 D N 1.498 121.969 120.400 0.118 0.000 2.392 215 D HA 0.191 4.830 4.640 -0.001 0.000 0.228 215 D C -1.873 174.540 176.300 0.188 0.000 1.074 215 D CA -2.525 51.546 54.000 0.119 0.000 0.838 215 D CB 1.641 42.551 40.800 0.184 0.000 1.067 215 D HN -0.163 nan 8.370 nan 0.000 0.511 216 P HA -0.068 nan 4.420 nan 0.000 0.226 216 P C 0.260 177.686 177.300 0.211 0.000 1.146 216 P CA 0.690 63.772 63.100 -0.029 0.000 0.773 216 P CB 0.075 31.613 31.700 -0.269 0.000 0.772 217 F N -3.635 116.381 119.950 0.109 0.000 2.721 217 F HA 0.212 4.738 4.527 -0.001 0.000 0.301 217 F C 1.298 177.206 175.800 0.181 0.000 1.096 217 F CA -1.732 56.293 58.000 0.043 0.000 1.308 217 F CB -1.325 37.540 39.000 -0.225 0.000 1.086 217 F HN -0.078 nan 8.300 nan 0.000 0.587 221 L N 0.640 121.798 121.223 -0.108 0.000 2.367 221 L HA 0.411 4.751 4.340 -0.001 0.000 0.275 221 L C -0.404 176.459 176.870 -0.012 0.000 1.129 221 L CA -0.293 54.527 54.840 -0.033 0.000 0.839 221 L CB 0.458 42.534 42.059 0.028 0.000 1.133 221 L HN 0.464 nan 8.230 nan 0.000 0.453 222 Y N 3.774 124.150 120.300 0.126 0.000 2.636 222 Y HA 0.315 4.865 4.550 -0.001 0.000 0.334 222 Y C 0.530 176.448 175.900 0.030 0.000 1.286 222 Y CA -0.095 58.052 58.100 0.079 0.000 1.688 222 Y CB -0.145 38.347 38.460 0.053 0.000 1.662 222 Y HN 0.571 nan 8.280 nan 0.000 0.465 223 Q N 0.925 120.781 119.800 0.094 0.000 2.391 223 Q HA 0.387 4.726 4.340 -0.001 0.000 0.279 223 Q C -1.506 174.501 176.000 0.011 0.000 1.028 223 Q CA -1.192 54.645 55.803 0.057 0.000 0.836 223 Q CB 1.651 30.424 28.738 0.059 0.000 1.414 223 Q HN 0.200 nan 8.270 nan 0.000 0.397 224 K N 1.872 122.273 120.400 0.001 0.000 2.258 224 K HA 0.245 4.564 4.320 -0.001 0.000 0.264 224 K C -0.198 176.390 176.600 -0.021 0.000 1.007 224 K CA -0.430 55.844 56.287 -0.023 0.000 0.941 224 K CB 0.588 33.076 32.500 -0.021 0.000 0.966 224 K HN 0.562 nan 8.250 nan 0.000 0.480 225 R N 1.790 122.263 120.500 -0.044 0.000 2.504 225 R HA -0.113 4.226 4.340 -0.001 0.000 0.291 225 R C 0.124 176.396 176.300 -0.047 0.000 0.974 225 R CA 0.474 56.539 56.100 -0.057 0.000 1.077 225 R CB 0.147 30.390 30.300 -0.096 0.000 0.926 225 R HN 0.469 nan 8.270 nan 0.000 0.407 226 D N 3.509 123.894 120.400 -0.024 0.000 2.393 226 D HA 0.039 4.678 4.640 -0.001 0.000 0.232 226 D C -0.121 176.159 176.300 -0.033 0.000 1.192 226 D CA -0.097 53.912 54.000 0.014 0.000 0.882 226 D CB 0.641 41.492 40.800 0.084 0.000 1.038 226 D HN 0.389 nan 8.370 nan 0.000 0.499 227 R N 1.752 122.228 120.500 -0.040 0.000 2.480 227 R HA 0.121 4.460 4.340 -0.001 0.000 0.277 227 R C 0.833 177.163 176.300 0.051 0.000 1.008 227 R CA -0.223 55.842 56.100 -0.059 0.000 1.090 227 R CB 0.570 30.833 30.300 -0.061 0.000 1.234 227 R HN 0.418 nan 8.270 nan 0.000 0.549 228 T N -3.171 111.444 114.554 0.101 0.000 2.849 228 T HA 0.024 4.373 4.350 -0.001 0.000 0.276 228 T C 1.202 176.015 174.700 0.187 0.000 0.971 228 T CA -0.693 61.480 62.100 0.121 0.000 0.949 228 T CB 1.389 70.315 68.868 0.097 0.000 1.093 228 T HN 0.008 nan 8.240 nan 0.000 0.545 229 Q N -0.276 119.616 119.800 0.152 0.000 2.443 229 Q HA -0.103 4.236 4.340 -0.001 0.000 0.213 229 Q C 2.193 178.298 176.000 0.176 0.000 0.982 229 Q CA 1.559 57.461 55.803 0.165 0.000 0.894 229 Q CB -0.514 28.293 28.738 0.116 0.000 0.947 229 Q HN 0.827 nan 8.270 nan 0.000 0.480 230 Q N -1.592 118.311 119.800 0.171 0.000 2.167 230 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 230 Q C 1.385 177.510 176.000 0.209 0.000 0.970 230 Q CA 1.461 57.359 55.803 0.158 0.000 0.855 230 Q CB -0.194 28.625 28.738 0.136 0.000 0.911 230 Q HN 0.650 nan 8.270 nan 0.000 0.438 231 Y N 0.941 121.320 120.300 0.131 0.000 2.133 231 Y HA -0.219 4.330 4.550 -0.001 0.000 0.287 231 Y C 1.421 177.458 175.900 0.229 0.000 1.134 231 Y CA 2.146 60.347 58.100 0.168 0.000 1.133 231 Y CB -0.294 38.278 38.460 0.188 0.000 0.987 231 Y HN 0.143 nan 8.280 nan 0.000 0.502 232 D N -0.130 120.437 120.400 0.279 0.000 2.158 232 D HA -0.220 4.419 4.640 -0.001 0.000 0.197 232 D C 1.758 178.141 176.300 0.139 0.000 0.995 232 D CA 1.923 56.070 54.000 0.245 0.000 0.846 232 D CB -0.325 40.653 40.800 0.296 0.000 0.941 232 D HN 0.705 nan 8.370 nan 0.000 0.456 233 D N -0.555 119.915 120.400 0.117 0.000 2.144 233 D HA -0.152 4.487 4.640 -0.001 0.000 0.200 233 D C 1.925 178.256 176.300 0.050 0.000 0.978 233 D CA 0.582 54.636 54.000 0.089 0.000 0.833 233 D CB -0.138 40.711 40.800 0.081 0.000 0.961 233 D HN 0.083 nan 8.370 nan 0.000 0.470 234 L N 0.038 121.271 121.223 0.017 0.000 2.017 234 L HA -0.027 4.312 4.340 -0.001 0.000 0.208 234 L C 2.086 178.930 176.870 -0.044 0.000 1.073 234 L CA 1.356 56.188 54.840 -0.014 0.000 0.745 234 L CB -0.633 41.410 42.059 -0.026 0.000 0.894 234 L HN 0.154 nan 8.230 nan 0.000 0.432 235 I N -0.340 120.139 120.570 -0.151 0.000 2.163 235 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 235 I C 2.317 178.424 176.117 -0.017 0.000 1.085 235 I CA 1.497 62.696 61.300 -0.167 0.000 1.347 235 I CB -0.698 37.018 38.000 -0.474 0.000 1.044 235 I HN 0.327 nan 8.210 nan 0.000 0.408 236 D N 0.056 120.490 120.400 0.056 0.000 2.097 236 D HA -0.234 4.405 4.640 -0.001 0.000 0.195 236 D C 2.131 178.436 176.300 0.009 0.000 0.989 236 D CA 1.283 55.343 54.000 0.099 0.000 0.827 236 D CB -0.010 40.894 40.800 0.173 0.000 0.966 236 D HN 0.443 nan 8.370 nan 0.000 0.456 237 E N -0.681 119.534 120.200 0.026 0.000 2.118 237 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 237 E C 1.009 177.598 176.600 -0.017 0.000 0.992 237 E CA 0.205 56.610 56.400 0.008 0.000 0.804 237 E CB -0.038 29.677 29.700 0.025 0.000 0.741 237 E HN 0.111 nan 8.360 nan 0.000 0.458 241 A N 1.790 124.476 122.820 -0.223 0.000 1.940 241 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 241 A C 1.938 179.372 177.584 -0.250 0.000 1.176 241 A CA 1.682 53.608 52.037 -0.184 0.000 0.631 241 A CB -0.593 18.336 19.000 -0.118 0.000 0.814 241 A HN 0.333 nan 8.150 nan 0.000 0.446 242 I N 0.569 120.905 120.570 -0.390 0.000 2.162 242 I HA -0.171 3.998 4.170 -0.001 0.000 0.238 242 I C 2.873 178.853 176.117 -0.228 0.000 1.076 242 I CA 2.276 63.365 61.300 -0.351 0.000 1.353 242 I CB -1.676 35.949 38.000 -0.624 0.000 1.063 242 I HN 0.556 nan 8.210 nan 0.000 0.408 243 T N -1.754 112.651 114.554 -0.247 0.000 2.881 243 T HA -0.153 4.196 4.350 -0.001 0.000 0.270 243 T C 1.519 176.166 174.700 -0.089 0.000 1.068 243 T CA 1.221 63.257 62.100 -0.108 0.000 1.131 243 T CB -0.346 68.513 68.868 -0.015 0.000 0.871 243 T HN 0.167 nan 8.240 nan 0.000 0.479 244 D N 1.494 121.818 120.400 -0.127 0.000 2.097 244 D HA -0.057 4.582 4.640 -0.001 0.000 0.195 244 D C 2.276 178.478 176.300 -0.162 0.000 0.989 244 D CA 1.225 55.156 54.000 -0.115 0.000 0.827 244 D CB -0.305 40.428 40.800 -0.112 0.000 0.966 244 D HN 0.491 nan 8.370 nan 0.000 0.456 245 R N -0.893 119.440 120.500 -0.277 0.000 2.093 245 R HA -0.056 4.284 4.340 -0.001 0.000 0.224 245 R C 1.582 177.585 176.300 -0.495 0.000 1.101 245 R CA 1.027 56.853 56.100 -0.456 0.000 0.979 245 R CB -0.046 29.808 30.300 -0.745 0.000 0.877 245 R HN 0.262 nan 8.270 nan 0.000 0.441 246 Y N -1.097 119.145 120.300 -0.098 0.000 2.442 246 Y HA 0.408 4.957 4.550 -0.001 0.000 0.250 246 Y C 0.557 176.388 175.900 -0.116 0.000 1.113 246 Y CA -0.049 57.979 58.100 -0.120 0.000 1.273 246 Y CB 1.680 40.065 38.460 -0.124 0.000 1.138 246 Y HN 0.299 nan 8.280 nan 0.000 0.522 247 G N 0.210 109.026 108.800 0.026 0.000 2.465 247 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.681 247 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.681 247 G C -0.138 174.776 174.900 0.024 0.000 1.340 247 G CA -0.845 44.263 45.100 0.013 0.000 0.884 247 G HN -0.027 nan 8.290 nan 0.000 0.650 248 R N 0.542 121.058 120.500 0.027 0.000 2.096 248 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 248 R C 2.271 178.614 176.300 0.072 0.000 1.127 248 R CA 1.838 57.978 56.100 0.066 0.000 0.968 248 R CB -0.170 30.150 30.300 0.033 0.000 0.861 248 R HN 0.697 nan 8.270 nan 0.000 0.440 249 N N -0.198 118.520 118.700 0.029 0.000 2.370 249 N HA -0.047 4.692 4.740 -0.001 0.000 0.198 249 N C -0.477 175.065 175.510 0.054 0.000 1.156 249 N CA 0.155 53.222 53.050 0.028 0.000 0.839 249 N CB -0.180 38.311 38.487 0.007 0.000 0.989 249 N HN -0.205 nan 8.380 nan 0.000 0.468 250 T N 1.667 116.249 114.554 0.047 0.000 2.888 250 T HA 0.047 4.396 4.350 -0.001 0.000 0.301 250 T C 0.357 175.091 174.700 0.056 0.000 1.001 250 T CA -0.424 61.697 62.100 0.034 0.000 1.147 250 T CB 0.646 69.518 68.868 0.008 0.000 0.931 250 T HN 0.233 nan 8.240 nan 0.000 0.541 251 L N 5.200 126.475 121.223 0.087 0.000 2.455 251 L HA 0.337 4.676 4.340 -0.001 0.000 0.272 251 L C -0.386 176.564 176.870 0.134 0.000 1.174 251 L CA -0.019 54.920 54.840 0.165 0.000 0.869 251 L CB 0.144 42.344 42.059 0.235 0.000 1.130 251 L HN 0.572 nan 8.230 nan 0.000 0.474 252 I N 5.198 125.879 120.570 0.185 0.000 2.466 252 I HA 0.274 4.443 4.170 -0.001 0.000 0.289 252 I C -0.487 175.728 176.117 0.163 0.000 1.026 252 I CA -0.546 60.819 61.300 0.109 0.000 1.078 252 I CB 1.869 39.917 38.000 0.081 0.000 1.249 252 I HN 0.616 nan 8.210 nan 0.000 0.429 253 Q N 6.389 126.176 119.800 -0.022 0.000 2.339 253 Q HA 0.422 4.761 4.340 -0.001 0.000 0.268 253 Q C -1.822 174.030 176.000 -0.247 0.000 1.027 253 Q CA -0.578 55.008 55.803 -0.362 0.000 0.759 253 Q CB 1.376 29.836 28.738 -0.463 0.000 1.244 253 Q HN 0.446 nan 8.270 nan 0.000 0.464 254 F N 2.637 122.343 119.950 -0.407 0.000 2.472 254 F HA 0.246 4.773 4.527 -0.001 0.000 0.364 254 F C 0.454 176.139 175.800 -0.192 0.000 1.090 254 F CA -0.038 57.784 58.000 -0.297 0.000 1.188 254 F CB 0.976 39.696 39.000 -0.466 0.000 1.105 254 F HN 0.602 nan 8.300 nan 0.000 0.536 255 E N 2.062 122.319 120.200 0.095 0.000 2.222 255 E HA 0.317 4.666 4.350 -0.001 0.000 0.267 255 E C -0.932 175.762 176.600 0.157 0.000 0.884 255 E CA -0.533 55.896 56.400 0.049 0.000 0.764 255 E CB 0.868 30.516 29.700 -0.087 0.000 1.169 255 E HN 0.453 nan 8.360 nan 0.000 0.413 256 D N 2.396 122.851 120.400 0.093 0.000 2.686 256 D HA -0.232 4.407 4.640 -0.001 0.000 0.235 256 D C -0.952 175.392 176.300 0.072 0.000 1.160 256 D CA 0.907 54.938 54.000 0.051 0.000 0.645 256 D CB -1.196 39.579 40.800 -0.041 0.000 1.039 256 D HN 0.228 nan 8.370 nan 0.000 0.423 257 F N 0.366 120.326 119.950 0.017 0.000 2.380 257 F HA 0.559 5.085 4.527 -0.001 0.000 0.321 257 F C 1.892 177.719 175.800 0.044 0.000 1.103 257 F CA -0.010 58.043 58.000 0.087 0.000 1.067 257 F CB 0.803 39.932 39.000 0.215 0.000 1.265 257 F HN -0.026 nan 8.300 nan 0.000 0.517 258 G N 1.255 110.180 108.800 0.208 0.000 2.664 258 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.242 258 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.242 258 G C 0.895 175.877 174.900 0.138 0.000 1.225 258 G CA -0.337 44.839 45.100 0.126 0.000 0.849 258 G HN 0.679 nan 8.290 nan 0.000 0.581 259 N N 0.050 118.822 118.700 0.120 0.000 2.018 259 N HA -0.238 4.501 4.740 -0.001 0.000 0.196 259 N C 1.919 177.562 175.510 0.221 0.000 1.043 259 N CA 2.026 55.171 53.050 0.158 0.000 0.856 259 N CB -0.568 38.033 38.487 0.190 0.000 1.042 259 N HN 0.745 nan 8.380 nan 0.000 0.423 260 H N 0.330 119.478 119.070 0.129 0.000 2.319 260 H HA -0.018 4.537 4.556 -0.001 0.000 0.297 260 H C 1.727 177.075 175.328 0.033 0.000 1.097 260 H CA 2.516 58.625 56.048 0.101 0.000 1.285 260 H CB -0.540 29.247 29.762 0.042 0.000 1.368 260 H HN 0.385 nan 8.280 nan 0.000 0.495 261 N N -0.499 118.109 118.700 -0.153 0.000 2.216 261 N HA -0.024 4.716 4.740 -0.001 0.000 0.183 261 N C 2.011 177.379 175.510 -0.236 0.000 1.017 261 N CA 1.022 53.879 53.050 -0.322 0.000 0.861 261 N CB -0.184 38.399 38.487 0.160 0.000 0.986 261 N HN 0.473 nan 8.380 nan 0.000 0.428 262 A N 0.525 123.313 122.820 -0.054 0.000 1.873 262 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 262 A C 1.868 179.232 177.584 -0.367 0.000 1.193 262 A CA 1.415 53.333 52.037 -0.198 0.000 0.629 262 A CB -1.121 17.697 19.000 -0.304 0.000 0.826 262 A HN 0.300 nan 8.150 nan 0.000 0.447 263 F N 0.280 120.092 119.950 -0.230 0.000 2.146 263 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 263 F C 2.712 178.368 175.800 -0.240 0.000 1.096 263 F CA 1.645 59.466 58.000 -0.298 0.000 1.275 263 F CB -0.166 38.605 39.000 -0.382 0.000 1.008 263 F HN 0.295 nan 8.300 nan 0.000 0.480 264 R N -0.185 120.226 120.500 -0.148 0.000 2.092 264 R HA -0.134 4.205 4.340 -0.001 0.000 0.231 264 R C 2.068 178.217 176.300 -0.252 0.000 1.119 264 R CA 1.649 57.606 56.100 -0.238 0.000 0.970 264 R CB -1.451 28.572 30.300 -0.463 0.000 0.864 264 R HN 0.247 nan 8.270 nan 0.000 0.440 265 F N 1.186 120.987 119.950 -0.248 0.000 2.186 265 F HA -0.121 4.405 4.527 -0.001 0.000 0.299 265 F C 2.315 177.864 175.800 -0.418 0.000 1.090 265 F CA 0.221 57.998 58.000 -0.373 0.000 1.307 265 F CB -0.106 38.658 39.000 -0.393 0.000 1.019 265 F HN 0.029 nan 8.300 nan 0.000 0.489 266 L N 0.977 122.083 121.223 -0.195 0.000 2.046 266 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 266 L C 2.394 179.225 176.870 -0.065 0.000 1.077 266 L CA 1.732 56.467 54.840 -0.176 0.000 0.747 266 L CB -0.802 41.139 42.059 -0.197 0.000 0.896 266 L HN -0.007 nan 8.230 nan 0.000 0.432 267 R N -0.256 120.219 120.500 -0.042 0.000 2.066 267 R HA -0.218 4.121 4.340 -0.001 0.000 0.232 267 R C 2.478 178.736 176.300 -0.069 0.000 1.131 267 R CA 1.871 57.971 56.100 -0.001 0.000 0.955 267 R CB -0.304 30.030 30.300 0.057 0.000 0.851 267 R HN 0.415 nan 8.270 nan 0.000 0.432 268 K N -0.731 119.564 120.400 -0.174 0.000 2.063 268 K HA -0.196 4.124 4.320 -0.001 0.000 0.208 268 K C 1.278 177.692 176.600 -0.309 0.000 1.048 268 K CA 1.943 58.034 56.287 -0.327 0.000 0.928 268 K CB -0.088 32.065 32.500 -0.580 0.000 0.713 268 K HN 0.376 nan 8.250 nan 0.000 0.442 269 Y N -0.271 120.047 120.300 0.031 0.000 2.481 269 Y HA 0.132 4.682 4.550 -0.001 0.000 0.258 269 Y C 1.983 177.915 175.900 0.053 0.000 1.103 269 Y CA -0.055 58.091 58.100 0.076 0.000 1.287 269 Y CB 0.152 38.724 38.460 0.187 0.000 1.108 269 Y HN 0.046 nan 8.280 nan 0.000 0.529 270 R N 1.548 122.138 120.500 0.149 0.000 2.185 270 R HA -0.201 4.138 4.340 -0.001 0.000 0.247 270 R C 0.631 176.959 176.300 0.045 0.000 1.159 270 R CA 2.200 58.382 56.100 0.136 0.000 0.988 270 R CB -0.450 29.913 30.300 0.104 0.000 0.871 270 R HN 0.388 nan 8.270 nan 0.000 0.458 271 E N 0.048 120.193 120.200 -0.091 0.000 2.498 271 E HA 0.082 4.432 4.350 -0.001 0.000 0.203 271 E C 0.969 177.273 176.600 -0.493 0.000 1.013 271 E CA -0.052 56.110 56.400 -0.396 0.000 0.927 271 E CB 0.482 30.028 29.700 -0.258 0.000 1.012 271 E HN 0.419 nan 8.360 nan 0.000 0.482 272 K N 0.125 120.395 120.400 -0.216 0.000 2.121 272 K HA 0.113 4.432 4.320 -0.001 0.000 0.203 272 K C 0.364 176.802 176.600 -0.270 0.000 1.041 272 K CA 0.759 56.852 56.287 -0.323 0.000 0.969 272 K CB 0.378 32.596 32.500 -0.471 0.000 0.799 272 K HN -0.029 nan 8.250 nan 0.000 0.456 273 Y N -1.114 119.320 120.300 0.223 0.000 2.654 273 Y HA 0.257 4.806 4.550 -0.001 0.000 0.328 273 Y C 0.028 176.124 175.900 0.328 0.000 1.174 273 Y CA -1.340 56.884 58.100 0.206 0.000 1.293 273 Y CB 0.803 39.300 38.460 0.061 0.000 1.464 273 Y HN -0.077 nan 8.280 nan 0.000 0.559 274 C N 1.866 121.391 119.300 0.375 0.000 2.136 274 C HA 0.618 5.077 4.460 -0.001 0.000 0.381 274 C C -0.105 175.080 174.990 0.325 0.000 1.039 274 C CA 0.021 59.210 59.018 0.285 0.000 1.491 274 C CB -2.071 25.755 27.740 0.144 0.000 1.663 274 C HN 0.711 nan 8.230 nan 0.000 0.470 275 T N 3.682 118.466 114.554 0.382 0.000 2.883 275 T HA 0.852 5.201 4.350 -0.001 0.000 0.296 275 T C -0.919 174.079 174.700 0.497 0.000 1.117 275 T CA -0.367 61.982 62.100 0.414 0.000 1.006 275 T CB 1.392 70.456 68.868 0.326 0.000 1.191 275 T HN 0.912 nan 8.240 nan 0.000 0.508 276 F N 0.831 120.916 119.950 0.225 0.000 2.745 276 F HA 0.664 5.190 4.527 -0.001 0.000 0.316 276 F C -1.287 174.579 175.800 0.111 0.000 1.155 276 F CA -1.219 56.891 58.000 0.183 0.000 0.937 276 F CB 1.439 40.654 39.000 0.359 0.000 1.361 276 F HN 0.473 nan 8.300 nan 0.000 0.472 277 N N 1.696 120.362 118.700 -0.056 0.000 2.443 277 N HA 0.145 4.884 4.740 -0.001 0.000 0.269 277 N C -0.347 175.069 175.510 -0.157 0.000 0.985 277 N CA -0.171 52.738 53.050 -0.234 0.000 0.921 277 N CB 1.688 40.035 38.487 -0.234 0.000 1.195 277 N HN 0.928 nan 8.380 nan 0.000 0.492 278 D N 2.265 122.518 120.400 -0.245 0.000 2.084 278 D HA -0.148 4.491 4.640 -0.001 0.000 0.194 278 D C 0.718 177.017 176.300 -0.002 0.000 0.990 278 D CA 1.505 55.492 54.000 -0.022 0.000 0.826 278 D CB 0.311 41.036 40.800 -0.124 0.000 0.971 278 D HN 0.581 nan 8.370 nan 0.000 0.453 279 D N -0.492 119.872 120.400 -0.060 0.000 2.263 279 D HA -0.111 4.528 4.640 -0.001 0.000 0.208 279 D C 2.089 178.338 176.300 -0.086 0.000 0.971 279 D CA 0.605 54.575 54.000 -0.050 0.000 0.867 279 D CB 0.326 41.091 40.800 -0.059 0.000 0.929 279 D HN 0.403 nan 8.370 nan 0.000 0.492 280 I N 0.174 120.651 120.570 -0.155 0.000 2.685 280 I HA -0.140 4.029 4.170 -0.001 0.000 0.251 280 I C 2.253 178.278 176.117 -0.153 0.000 1.102 280 I CA 0.462 61.647 61.300 -0.193 0.000 1.442 280 I CB 0.096 37.885 38.000 -0.352 0.000 1.194 280 I HN -0.216 nan 8.210 nan 0.000 0.448 281 Q N 0.574 120.233 119.800 -0.234 0.000 2.204 281 Q HA 0.092 4.432 4.340 -0.001 0.000 0.198 281 Q C 2.238 178.066 176.000 -0.288 0.000 0.946 281 Q CA 1.082 56.604 55.803 -0.468 0.000 0.859 281 Q CB -0.255 27.816 28.738 -1.112 0.000 0.946 281 Q HN 0.520 nan 8.270 nan 0.000 0.474 282 G N 1.110 109.912 108.800 0.003 0.000 2.433 282 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.216 282 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.216 282 G C 1.434 176.446 174.900 0.187 0.000 1.186 282 G CA 1.531 46.786 45.100 0.257 0.000 0.779 282 G HN 0.297 nan 8.290 nan 0.000 0.543 283 T N 1.955 116.584 114.554 0.125 0.000 2.699 283 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 283 T C 2.739 177.515 174.700 0.127 0.000 1.036 283 T CA 1.755 63.927 62.100 0.121 0.000 1.147 283 T CB -0.519 68.403 68.868 0.089 0.000 0.862 283 T HN 0.423 nan 8.240 nan 0.000 0.446 284 A N 2.045 124.915 122.820 0.083 0.000 1.849 284 A HA 0.039 4.358 4.320 -0.001 0.000 0.217 284 A C 2.779 180.452 177.584 0.149 0.000 1.202 284 A CA 2.331 54.427 52.037 0.098 0.000 0.629 284 A CB -1.506 17.512 19.000 0.029 0.000 0.834 284 A HN 0.559 nan 8.150 nan 0.000 0.447 285 A N -0.580 122.343 122.820 0.172 0.000 1.917 285 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 285 A C 2.272 179.969 177.584 0.187 0.000 1.182 285 A CA 2.611 54.773 52.037 0.209 0.000 0.633 285 A CB -1.317 17.859 19.000 0.293 0.000 0.819 285 A HN 0.768 nan 8.150 nan 0.000 0.448 286 V N -0.705 119.315 119.914 0.178 0.000 2.261 286 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 286 V C 2.930 179.171 176.094 0.245 0.000 1.047 286 V CA 1.919 64.310 62.300 0.151 0.000 1.015 286 V CB -1.758 30.098 31.823 0.055 0.000 0.642 286 V HN 0.585 nan 8.190 nan 0.000 0.446 287 A N 0.264 123.230 122.820 0.242 0.000 1.940 287 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 287 A C 2.194 179.981 177.584 0.338 0.000 1.176 287 A CA 2.193 54.433 52.037 0.339 0.000 0.631 287 A CB -0.610 18.598 19.000 0.347 0.000 0.814 287 A HN 0.489 nan 8.150 nan 0.000 0.446 288 L N -0.518 120.851 121.223 0.243 0.000 2.109 288 L HA 0.052 4.392 4.340 -0.001 0.000 0.207 288 L C 2.613 179.582 176.870 0.165 0.000 1.086 288 L CA 1.954 56.906 54.840 0.185 0.000 0.760 288 L CB -0.703 41.444 42.059 0.146 0.000 0.910 288 L HN 0.314 nan 8.230 nan 0.000 0.437 289 A N -0.554 122.379 122.820 0.188 0.000 1.933 289 A HA -0.047 4.272 4.320 -0.001 0.000 0.218 289 A C 2.294 179.923 177.584 0.075 0.000 1.175 289 A CA 1.506 53.634 52.037 0.152 0.000 0.628 289 A CB -1.451 17.675 19.000 0.210 0.000 0.814 289 A HN 0.518 nan 8.150 nan 0.000 0.444 290 G N -0.454 108.415 108.800 0.116 0.000 2.394 290 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.214 290 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.214 290 G C 1.314 176.280 174.900 0.110 0.000 1.176 290 G CA 0.911 45.908 45.100 -0.172 0.000 0.786 290 G HN 0.315 nan 8.290 nan 0.000 0.533 291 L N 0.212 121.588 121.223 0.254 0.000 2.127 291 L HA 0.011 4.350 4.340 -0.001 0.000 0.211 291 L C 2.711 179.616 176.870 0.059 0.000 1.089 291 L CA 0.824 55.743 54.840 0.133 0.000 0.757 291 L CB -0.929 41.183 42.059 0.088 0.000 0.899 291 L HN 0.097 nan 8.230 nan 0.000 0.434 292 L N -0.793 120.461 121.223 0.052 0.000 2.093 292 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 292 L C 2.531 179.407 176.870 0.010 0.000 1.085 292 L CA 1.944 56.799 54.840 0.025 0.000 0.755 292 L CB -1.312 40.764 42.059 0.029 0.000 0.904 292 L HN 0.257 nan 8.230 nan 0.000 0.435 293 A N -1.177 121.633 122.820 -0.016 0.000 1.897 293 A HA -0.002 4.317 4.320 -0.001 0.000 0.215 293 A C 2.445 180.030 177.584 0.001 0.000 1.181 293 A CA 1.333 53.349 52.037 -0.034 0.000 0.620 293 A CB -0.764 18.166 19.000 -0.117 0.000 0.821 293 A HN 0.384 nan 8.150 nan 0.000 0.443 294 A N -0.845 121.990 122.820 0.025 0.000 1.940 294 A HA -0.217 4.102 4.320 -0.001 0.000 0.219 294 A C 2.110 179.722 177.584 0.047 0.000 1.176 294 A CA 2.119 54.186 52.037 0.049 0.000 0.631 294 A CB -0.485 18.553 19.000 0.064 0.000 0.814 294 A HN 0.484 nan 8.150 nan 0.000 0.446 295 Q N -0.005 119.825 119.800 0.050 0.000 2.291 295 Q HA -0.107 4.233 4.340 -0.001 0.000 0.206 295 Q C 1.757 177.788 176.000 0.052 0.000 0.976 295 Q CA 1.925 57.770 55.803 0.070 0.000 0.875 295 Q CB -0.350 28.424 28.738 0.060 0.000 0.927 295 Q HN 0.662 nan 8.270 nan 0.000 0.450 296 K N -1.062 119.359 120.400 0.035 0.000 2.155 296 K HA -0.064 4.256 4.320 -0.001 0.000 0.203 296 K C 1.878 178.496 176.600 0.031 0.000 1.052 296 K CA 1.123 57.427 56.287 0.029 0.000 0.948 296 K CB -0.085 32.426 32.500 0.019 0.000 0.728 296 K HN 0.257 nan 8.250 nan 0.000 0.448 297 V N -0.475 119.460 119.914 0.035 0.000 2.300 297 V HA -0.098 4.021 4.120 -0.001 0.000 0.241 297 V C 1.791 177.904 176.094 0.032 0.000 1.034 297 V CA 1.091 63.413 62.300 0.037 0.000 1.021 297 V CB -0.365 31.488 31.823 0.050 0.000 0.662 297 V HN 0.189 nan 8.190 nan 0.000 0.458 298 I N 0.638 121.227 120.570 0.032 0.000 2.163 298 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 298 I C 2.267 178.394 176.117 0.018 0.000 1.085 298 I CA 1.702 63.013 61.300 0.019 0.000 1.347 298 I CB -0.879 37.130 38.000 0.016 0.000 1.044 298 I HN 0.563 nan 8.210 nan 0.000 0.408 299 S N -0.424 115.300 115.700 0.039 0.000 3.011 299 S HA -0.208 4.261 4.470 -0.001 0.000 0.278 299 S C 0.618 175.241 174.600 0.037 0.000 1.300 299 S CA 0.834 59.059 58.200 0.042 0.000 1.248 299 S CB -1.210 62.006 63.200 0.026 0.000 1.517 299 S HN 0.437 nan 8.310 nan 0.000 0.685 300 K N 1.511 121.911 120.400 0.001 0.000 2.569 300 K HA -0.031 4.288 4.320 -0.001 0.000 0.280 300 K C -2.550 174.031 176.600 -0.032 0.000 0.984 300 K CA -0.521 55.708 56.287 -0.097 0.000 1.064 300 K CB 0.112 32.433 32.500 -0.298 0.000 0.866 300 K HN 0.119 nan 8.250 nan 0.000 0.492 301 P HA -0.037 nan 4.420 nan 0.000 0.267 301 P C 0.761 178.145 177.300 0.140 0.000 1.205 301 P CA 0.127 63.254 63.100 0.044 0.000 0.765 301 P CB 0.452 32.159 31.700 0.011 0.000 0.828 302 I N 3.026 123.759 120.570 0.272 0.000 2.181 302 I HA -0.413 3.757 4.170 -0.001 0.000 0.247 302 I C 1.867 178.178 176.117 0.324 0.000 1.081 302 I CA 2.167 63.714 61.300 0.412 0.000 1.340 302 I CB -0.224 37.859 38.000 0.138 0.000 1.036 302 I HN 0.349 nan 8.210 nan 0.000 0.417 303 S N 0.630 116.420 115.700 0.151 0.000 2.368 303 S HA -0.302 4.167 4.470 -0.001 0.000 0.226 303 S C 1.452 176.094 174.600 0.071 0.000 1.044 303 S CA 1.938 60.192 58.200 0.091 0.000 1.062 303 S CB -0.995 62.235 63.200 0.050 0.000 0.931 303 S HN 0.711 nan 8.310 nan 0.000 0.440 304 E N 0.953 121.159 120.200 0.009 0.000 2.365 304 E HA 0.146 4.495 4.350 -0.001 0.000 0.188 304 E C -0.358 176.184 176.600 -0.095 0.000 1.102 304 E CA -0.118 56.251 56.400 -0.050 0.000 0.927 304 E CB -0.365 29.278 29.700 -0.095 0.000 1.073 304 E HN 0.625 nan 8.360 nan 0.000 0.467 305 H N 1.891 120.966 119.070 0.009 0.000 2.582 305 H HA 0.295 4.851 4.556 -0.001 0.000 0.345 305 H C -0.314 175.027 175.328 0.023 0.000 1.104 305 H CA 0.043 56.095 56.048 0.006 0.000 1.390 305 H CB 0.960 30.732 29.762 0.016 0.000 1.461 305 H HN -0.017 nan 8.280 nan 0.000 0.551 306 K N 3.236 123.717 120.400 0.135 0.000 2.616 306 K HA 0.351 4.670 4.320 -0.001 0.000 0.255 306 K C -2.020 174.619 176.600 0.065 0.000 0.995 306 K CA -0.427 55.924 56.287 0.108 0.000 0.860 306 K CB 0.890 33.411 32.500 0.035 0.000 1.264 306 K HN 0.434 nan 8.250 nan 0.000 0.451 307 I N 4.009 124.644 120.570 0.108 0.000 2.441 307 I HA 0.434 4.603 4.170 -0.001 0.000 0.295 307 I C -1.202 174.952 176.117 0.062 0.000 0.994 307 I CA -0.964 60.334 61.300 -0.003 0.000 1.144 307 I CB 1.835 39.798 38.000 -0.062 0.000 1.314 307 I HN 0.518 nan 8.210 nan 0.000 0.445 308 L N 6.861 128.046 121.223 -0.064 0.000 2.372 308 L HA 0.590 4.929 4.340 -0.001 0.000 0.274 308 L C -1.409 175.506 176.870 0.076 0.000 0.988 308 L CA -0.071 54.830 54.840 0.101 0.000 0.833 308 L CB 0.798 42.869 42.059 0.020 0.000 1.236 308 L HN 0.272 nan 8.230 nan 0.000 0.410 309 F N 4.811 124.953 119.950 0.320 0.000 2.379 309 F HA 0.483 5.009 4.527 -0.001 0.000 0.332 309 F C -0.016 176.047 175.800 0.439 0.000 1.096 309 F CA -0.437 57.755 58.000 0.319 0.000 1.105 309 F CB 1.480 40.598 39.000 0.197 0.000 1.189 309 F HN 0.352 nan 8.300 nan 0.000 0.515 310 L N 3.320 124.838 121.223 0.491 0.000 2.283 310 L HA 0.776 5.115 4.340 -0.001 0.000 0.281 310 L C -0.130 176.872 176.870 0.220 0.000 1.033 310 L CA 0.057 55.033 54.840 0.227 0.000 0.848 310 L CB 0.185 42.079 42.059 -0.275 0.000 1.226 310 L HN 0.737 nan 8.230 nan 0.000 0.429 311 G N 3.681 112.643 108.800 0.269 0.000 2.617 311 G HA2 0.400 4.359 3.960 -0.001 0.000 0.686 311 G HA3 0.400 4.359 3.960 -0.001 0.000 0.686 311 G C -0.531 174.468 174.900 0.164 0.000 1.214 311 G CA -0.358 44.840 45.100 0.164 0.000 0.796 311 G HN 1.489 nan 8.290 nan 0.000 0.654 312 A N 0.604 123.477 122.820 0.090 0.000 2.843 312 A HA 0.825 5.144 4.320 -0.001 0.000 0.248 312 A C 1.005 178.613 177.584 0.041 0.000 0.904 312 A CA 1.025 53.084 52.037 0.037 0.000 1.091 312 A CB -0.060 18.975 19.000 0.059 0.000 1.208 312 A HN 2.234 nan 8.150 nan 0.000 0.476 313 G N -0.554 108.283 108.800 0.061 0.000 2.773 313 G HA2 0.410 4.369 3.960 -0.001 0.000 0.186 313 G HA3 0.410 4.369 3.960 -0.001 0.000 0.186 313 G C 0.612 175.620 174.900 0.180 0.000 1.411 313 G CA 0.178 45.352 45.100 0.123 0.000 1.054 313 G HN 0.335 nan 8.290 nan 0.000 0.579 314 E N -0.265 120.034 120.200 0.164 0.000 2.035 314 E HA -0.259 4.090 4.350 -0.001 0.000 0.204 314 E C 2.808 179.420 176.600 0.020 0.000 1.025 314 E CA 1.652 58.061 56.400 0.015 0.000 0.835 314 E CB -0.297 29.300 29.700 -0.172 0.000 0.764 314 E HN 0.386 nan 8.360 nan 0.000 0.457 315 A N 1.209 124.035 122.820 0.011 0.000 1.877 315 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 315 A C 2.382 179.972 177.584 0.010 0.000 1.186 315 A CA 1.882 53.935 52.037 0.027 0.000 0.620 315 A CB -0.812 18.224 19.000 0.060 0.000 0.822 315 A HN 0.317 nan 8.150 nan 0.000 0.443 316 A N -0.085 122.707 122.820 -0.047 0.000 1.851 316 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 316 A C 2.187 179.457 177.584 -0.523 0.000 1.195 316 A CA 1.638 53.457 52.037 -0.363 0.000 0.622 316 A CB -0.777 18.020 19.000 -0.338 0.000 0.831 316 A HN 0.478 nan 8.150 nan 0.000 0.444 317 L N -0.654 120.430 121.223 -0.231 0.000 2.083 317 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 317 L C 2.838 179.690 176.870 -0.029 0.000 1.083 317 L CA 1.088 55.855 54.840 -0.121 0.000 0.752 317 L CB -0.889 41.203 42.059 0.055 0.000 0.899 317 L HN 0.509 nan 8.230 nan 0.000 0.433 318 G N 0.327 109.143 108.800 0.028 0.000 2.421 318 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 318 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 318 G C 1.603 176.514 174.900 0.018 0.000 1.171 318 G CA 0.709 45.826 45.100 0.029 0.000 0.775 318 G HN 0.252 nan 8.290 nan 0.000 0.543 319 I N 1.420 121.997 120.570 0.012 0.000 2.142 319 I HA -0.191 3.978 4.170 -0.001 0.000 0.240 319 I C 3.342 179.504 176.117 0.075 0.000 1.078 319 I CA 1.022 62.381 61.300 0.099 0.000 1.343 319 I CB -0.274 37.875 38.000 0.247 0.000 1.046 319 I HN 0.248 nan 8.210 nan 0.000 0.405 320 A N 0.827 123.573 122.820 -0.123 0.000 1.892 320 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 320 A C 2.121 179.705 177.584 0.001 0.000 1.188 320 A CA 2.237 54.147 52.037 -0.212 0.000 0.631 320 A CB -0.960 17.495 19.000 -0.907 0.000 0.822 320 A HN 0.496 nan 8.150 nan 0.000 0.447 321 N N -0.713 118.035 118.700 0.080 0.000 2.120 321 N HA -0.140 4.600 4.740 -0.001 0.000 0.188 321 N C 1.670 177.268 175.510 0.146 0.000 1.024 321 N CA 1.574 54.737 53.050 0.189 0.000 0.852 321 N CB -0.258 38.338 38.487 0.181 0.000 1.003 321 N HN 0.372 nan 8.380 nan 0.000 0.424 322 L N 1.611 122.904 121.223 0.117 0.000 2.056 322 L HA -0.014 4.325 4.340 -0.001 0.000 0.207 322 L C 2.108 179.047 176.870 0.114 0.000 1.078 322 L CA 0.953 55.864 54.840 0.117 0.000 0.749 322 L CB -0.390 41.740 42.059 0.118 0.000 0.901 322 L HN 0.106 nan 8.230 nan 0.000 0.433 323 I N -1.556 119.086 120.570 0.120 0.000 2.052 323 I HA -0.293 3.876 4.170 -0.001 0.000 0.235 323 I C 1.416 177.594 176.117 0.101 0.000 1.046 323 I CA 0.678 62.041 61.300 0.106 0.000 1.308 323 I CB -0.423 37.653 38.000 0.126 0.000 1.031 323 I HN -0.107 nan 8.210 nan 0.000 0.395 329 E N 1.473 121.700 120.200 0.046 0.000 2.265 329 E HA -0.056 4.293 4.350 -0.001 0.000 0.196 329 E C 0.424 177.045 176.600 0.036 0.000 0.996 329 E CA 1.321 57.747 56.400 0.043 0.000 0.832 329 E CB 0.031 29.758 29.700 0.044 0.000 0.756 329 E HN 0.793 nan 8.360 nan 0.000 0.491 330 N N -0.301 118.418 118.700 0.033 0.000 2.635 330 N HA 0.138 4.877 4.740 -0.001 0.000 0.307 330 N C 0.326 175.855 175.510 0.031 0.000 1.433 330 N CA 0.597 53.665 53.050 0.029 0.000 0.973 330 N CB 1.323 39.824 38.487 0.023 0.000 1.304 330 N HN 0.251 nan 8.380 nan 0.000 0.507 331 G N 0.635 109.455 108.800 0.033 0.000 4.045 331 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.261 331 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.261 331 G C -0.176 174.745 174.900 0.036 0.000 1.772 331 G CA -0.543 44.577 45.100 0.033 0.000 1.264 331 G HN 0.293 nan 8.290 nan 0.000 0.609 332 L N 2.069 123.316 121.223 0.040 0.000 3.127 332 L HA 0.204 4.543 4.340 -0.001 0.000 0.373 332 L C 1.634 178.530 176.870 0.044 0.000 1.223 332 L CA 1.259 56.126 54.840 0.045 0.000 0.806 332 L CB -0.048 42.042 42.059 0.052 0.000 1.070 332 L HN 1.330 nan 8.230 nan 0.000 0.630 333 S N 2.242 117.967 115.700 0.042 0.000 2.616 333 S HA 0.294 4.763 4.470 -0.001 0.000 0.277 333 S C 0.993 175.620 174.600 0.045 0.000 1.234 333 S CA -0.164 58.059 58.200 0.038 0.000 1.028 333 S CB 1.307 64.525 63.200 0.029 0.000 0.988 333 S HN 0.735 nan 8.310 nan 0.000 0.522 334 E N 1.073 121.298 120.200 0.042 0.000 2.219 334 E HA -0.364 3.986 4.350 -0.001 0.000 0.198 334 E C 1.591 178.215 176.600 0.040 0.000 0.998 334 E CA 1.734 58.163 56.400 0.048 0.000 0.818 334 E CB -0.289 29.431 29.700 0.034 0.000 0.741 334 E HN 0.800 nan 8.360 nan 0.000 0.477 335 Q N 1.108 120.923 119.800 0.026 0.000 2.016 335 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 335 Q C 1.888 177.913 176.000 0.041 0.000 0.978 335 Q CA 2.240 58.053 55.803 0.018 0.000 0.833 335 Q CB 0.103 28.846 28.738 0.009 0.000 0.895 335 Q HN 0.460 nan 8.270 nan 0.000 0.427 336 E N 0.149 120.376 120.200 0.045 0.000 2.106 336 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 336 E C 1.944 178.593 176.600 0.082 0.000 0.984 336 E CA 0.919 57.352 56.400 0.054 0.000 0.806 336 E CB -0.297 29.432 29.700 0.048 0.000 0.750 336 E HN 0.474 nan 8.360 nan 0.000 0.458 337 A N 1.526 124.401 122.820 0.092 0.000 1.859 337 A HA -0.337 3.982 4.320 -0.001 0.000 0.217 337 A C 2.158 179.855 177.584 0.188 0.000 1.198 337 A CA 1.962 54.072 52.037 0.123 0.000 0.629 337 A CB -0.776 18.294 19.000 0.116 0.000 0.830 337 A HN 0.185 nan 8.150 nan 0.000 0.446 338 Q N -0.258 119.667 119.800 0.210 0.000 2.152 338 Q HA -0.192 4.148 4.340 -0.001 0.000 0.206 338 Q C 1.816 178.035 176.000 0.364 0.000 0.985 338 Q CA 1.781 57.783 55.803 0.333 0.000 0.863 338 Q CB -0.203 28.593 28.738 0.096 0.000 0.904 338 Q HN 0.609 nan 8.270 nan 0.000 0.422 339 K N 0.369 120.892 120.400 0.204 0.000 2.515 339 K HA -0.109 4.210 4.320 -0.001 0.000 0.196 339 K C 1.215 177.836 176.600 0.035 0.000 1.038 339 K CA 0.777 57.086 56.287 0.037 0.000 0.967 339 K CB 0.067 32.552 32.500 -0.025 0.000 0.780 339 K HN 0.097 nan 8.250 nan 0.000 0.483 340 K N 0.429 120.940 120.400 0.186 0.000 2.404 340 K HA 0.169 4.488 4.320 -0.001 0.000 0.194 340 K C 0.017 176.819 176.600 0.336 0.000 1.023 340 K CA 0.131 56.557 56.287 0.233 0.000 1.094 340 K CB 0.399 33.011 32.500 0.187 0.000 0.841 340 K HN -0.001 nan 8.250 nan 0.000 0.523 341 I N 0.355 121.159 120.570 0.389 0.000 2.406 341 I HA 0.288 4.458 4.170 -0.001 0.000 0.290 341 I C -0.700 175.692 176.117 0.459 0.000 0.999 341 I CA -0.802 60.748 61.300 0.416 0.000 1.124 341 I CB 1.066 39.210 38.000 0.241 0.000 1.289 341 I HN -0.069 nan 8.210 nan 0.000 0.441 345 D N 5.152 125.569 120.400 0.028 0.000 2.564 345 D HA 0.205 4.844 4.640 -0.001 0.000 0.273 345 D C 0.680 176.895 176.300 -0.141 0.000 1.192 345 D CA -0.445 53.558 54.000 0.005 0.000 1.080 345 D CB 1.195 41.984 40.800 -0.018 0.000 1.160 345 D HN 0.671 nan 8.370 nan 0.000 0.607 346 K N -0.625 119.636 120.400 -0.232 0.000 2.360 346 K HA -0.180 4.140 4.320 -0.001 0.000 0.201 346 K C 0.791 177.119 176.600 -0.454 0.000 1.046 346 K CA 1.172 57.247 56.287 -0.352 0.000 0.940 346 K CB -0.503 31.684 32.500 -0.523 0.000 0.748 346 K HN 0.492 nan 8.250 nan 0.000 0.465 347 Y N 0.864 121.099 120.300 -0.108 0.000 2.555 347 Y HA 0.249 4.798 4.550 -0.001 0.000 0.259 347 Y C 1.009 176.764 175.900 -0.242 0.000 1.179 347 Y CA -0.257 57.772 58.100 -0.119 0.000 1.230 347 Y CB 1.235 39.651 38.460 -0.073 0.000 1.146 347 Y HN 0.380 nan 8.280 nan 0.000 0.526 348 G N 0.679 109.191 108.800 -0.479 0.000 2.549 348 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.404 348 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.404 348 G C -1.282 173.162 174.900 -0.760 0.000 1.292 348 G CA -1.100 43.415 45.100 -0.976 0.000 0.935 348 G HN 0.030 nan 8.290 nan 0.000 0.512 349 L N 0.376 121.350 121.223 -0.415 0.000 2.540 349 L HA 0.341 4.680 4.340 -0.001 0.000 0.276 349 L C 1.145 178.085 176.870 0.117 0.000 1.212 349 L CA 0.120 55.026 54.840 0.109 0.000 0.893 349 L CB 0.178 42.447 42.059 0.349 0.000 1.138 349 L HN 0.461 nan 8.230 nan 0.000 0.491 350 L N 7.227 128.550 121.223 0.167 0.000 2.462 350 L HA 0.222 4.562 4.340 -0.001 0.000 0.283 350 L C -0.233 176.674 176.870 0.061 0.000 1.166 350 L CA -0.374 54.517 54.840 0.085 0.000 0.964 350 L CB -0.412 41.685 42.059 0.064 0.000 1.294 350 L HN 0.507 nan 8.230 nan 0.000 0.449 351 V N 0.194 120.151 119.914 0.071 0.000 2.823 351 V HA 0.454 4.573 4.120 -0.001 0.000 0.312 351 V C 0.207 176.314 176.094 0.022 0.000 1.072 351 V CA -1.403 60.939 62.300 0.070 0.000 0.937 351 V CB 1.996 33.926 31.823 0.178 0.000 1.013 351 V HN 0.478 nan 8.190 nan 0.000 0.430 352 K N 2.412 122.814 120.400 0.003 0.000 2.473 352 K HA 0.151 4.471 4.320 -0.001 0.000 0.277 352 K C 1.258 177.860 176.600 0.004 0.000 1.052 352 K CA 1.292 57.573 56.287 -0.010 0.000 1.114 352 K CB -0.079 32.419 32.500 -0.003 0.000 0.869 352 K HN 1.746 nan 8.250 nan 0.000 0.481 353 G N 2.605 111.398 108.800 -0.012 0.000 2.160 353 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.251 353 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.251 353 G C 0.158 175.055 174.900 -0.005 0.000 1.008 353 G CA 0.818 45.912 45.100 -0.010 0.000 0.724 353 G HN 0.715 nan 8.290 nan 0.000 0.514 354 R N -0.701 119.798 120.500 -0.002 0.000 2.649 354 R HA 0.741 5.080 4.340 -0.001 0.000 0.270 354 R C 1.480 177.766 176.300 -0.024 0.000 1.105 354 R CA 0.160 56.260 56.100 -0.000 0.000 1.193 354 R CB 0.650 30.959 30.300 0.014 0.000 1.120 354 R HN 0.092 nan 8.270 nan 0.000 0.561 355 K N 1.361 121.740 120.400 -0.034 0.000 1.977 355 K HA -0.100 4.219 4.320 -0.001 0.000 0.218 355 K C 0.489 177.027 176.600 -0.102 0.000 1.051 355 K CA 1.877 58.124 56.287 -0.067 0.000 0.953 355 K CB -0.569 31.884 32.500 -0.078 0.000 0.727 355 K HN 0.732 nan 8.250 nan 0.000 0.445 356 A N 1.776 124.512 122.820 -0.140 0.000 2.547 356 A HA 0.010 4.330 4.320 -0.001 0.000 0.233 356 A C -0.494 177.041 177.584 -0.082 0.000 1.067 356 A CA 0.103 52.023 52.037 -0.194 0.000 0.763 356 A CB 0.066 18.955 19.000 -0.184 0.000 1.007 356 A HN 0.242 nan 8.150 nan 0.000 0.506 357 K N 0.936 121.293 120.400 -0.072 0.000 2.237 357 K HA 0.498 4.818 4.320 -0.001 0.000 0.270 357 K C -0.739 175.859 176.600 -0.004 0.000 1.015 357 K CA -0.329 55.936 56.287 -0.037 0.000 0.949 357 K CB 0.460 32.935 32.500 -0.042 0.000 0.976 357 K HN 0.396 nan 8.250 nan 0.000 0.472 358 I N 1.298 121.856 120.570 -0.021 0.000 2.822 358 I HA 0.196 4.365 4.170 -0.001 0.000 0.312 358 I C 0.268 176.364 176.117 -0.037 0.000 1.011 358 I CA -0.411 60.876 61.300 -0.021 0.000 1.105 358 I CB 1.469 39.442 38.000 -0.045 0.000 1.291 358 I HN 0.756 nan 8.210 nan 0.000 0.474 359 D N 0.571 120.946 120.400 -0.042 0.000 2.553 359 D HA 0.273 4.913 4.640 -0.001 0.000 0.249 359 D C 0.892 177.106 176.300 -0.143 0.000 1.062 359 D CA -0.361 53.599 54.000 -0.066 0.000 1.085 359 D CB 0.755 41.548 40.800 -0.013 0.000 1.350 359 D HN 0.333 nan 8.370 nan 0.000 0.575 360 S N -0.783 114.772 115.700 -0.241 0.000 2.369 360 S HA -0.284 4.185 4.470 -0.001 0.000 0.225 360 S C 1.816 176.138 174.600 -0.463 0.000 1.043 360 S CA 1.498 59.446 58.200 -0.420 0.000 1.074 360 S CB -0.909 61.894 63.200 -0.663 0.000 0.962 360 S HN 0.546 nan 8.310 nan 0.000 0.433 361 Y N 1.382 121.543 120.300 -0.231 0.000 2.352 361 Y HA 0.050 4.599 4.550 -0.001 0.000 0.292 361 Y C 2.796 178.612 175.900 -0.140 0.000 1.136 361 Y CA 1.108 59.066 58.100 -0.236 0.000 1.227 361 Y CB -0.331 37.861 38.460 -0.446 0.000 0.991 361 Y HN 0.401 nan 8.280 nan 0.000 0.545 362 Q N -0.108 119.690 119.800 -0.003 0.000 2.331 362 Q HA -0.141 4.199 4.340 -0.001 0.000 0.203 362 Q C 2.101 178.039 176.000 -0.103 0.000 0.944 362 Q CA 0.453 56.276 55.803 0.032 0.000 0.892 362 Q CB -0.016 28.731 28.738 0.015 0.000 0.983 362 Q HN 0.480 nan 8.270 nan 0.000 0.482 363 E N 1.414 121.503 120.200 -0.185 0.000 2.065 363 E HA -0.204 4.145 4.350 -0.001 0.000 0.201 363 E C -0.895 175.494 176.600 -0.352 0.000 1.016 363 E CA 1.528 57.788 56.400 -0.234 0.000 0.818 363 E CB -0.753 28.815 29.700 -0.220 0.000 0.749 363 E HN 0.263 nan 8.360 nan 0.000 0.453 364 P HA -0.100 nan 4.420 nan 0.000 0.228 364 P C 0.280 177.023 177.300 -0.929 0.000 1.151 364 P CA 1.137 63.784 63.100 -0.755 0.000 0.770 364 P CB -0.291 30.831 31.700 -0.963 0.000 0.786 365 F N -2.675 117.087 119.950 -0.312 0.000 2.683 365 F HA 0.224 4.750 4.527 -0.001 0.000 0.306 365 F C 0.449 175.762 175.800 -0.813 0.000 1.102 365 F CA -0.277 57.414 58.000 -0.515 0.000 1.244 365 F CB 0.045 38.908 39.000 -0.229 0.000 1.029 365 F HN -0.375 nan 8.300 nan 0.000 0.545 366 T N 1.713 115.924 114.554 -0.571 0.000 2.929 366 T HA 0.256 4.605 4.350 -0.001 0.000 0.331 366 T C -0.158 174.234 174.700 -0.513 0.000 1.120 366 T CA -0.307 61.527 62.100 -0.444 0.000 0.973 366 T CB -0.035 68.706 68.868 -0.213 0.000 1.036 366 T HN 0.104 nan 8.240 nan 0.000 0.502 367 H N 0.854 119.690 119.070 -0.391 0.000 2.508 367 H HA 0.354 4.909 4.556 -0.001 0.000 0.344 367 H C 0.512 175.765 175.328 -0.125 0.000 1.192 367 H CA -0.833 55.005 56.048 -0.350 0.000 1.290 367 H CB 0.855 30.216 29.762 -0.669 0.000 1.571 367 H HN 0.361 nan 8.280 nan 0.000 0.555 368 S N 0.752 116.522 115.700 0.117 0.000 2.596 368 S HA 0.138 4.607 4.470 -0.001 0.000 0.298 368 S C 0.464 175.197 174.600 0.222 0.000 1.255 368 S CA -0.474 57.800 58.200 0.124 0.000 1.083 368 S CB -0.200 63.062 63.200 0.104 0.000 0.837 368 S HN 0.713 nan 8.310 nan 0.000 0.499 369 A N 7.076 130.016 122.820 0.200 0.000 2.584 369 A HA 0.242 4.561 4.320 -0.001 0.000 0.239 369 A C -1.429 176.301 177.584 0.242 0.000 1.043 369 A CA -0.747 51.445 52.037 0.258 0.000 0.756 369 A CB -0.412 18.687 19.000 0.165 0.000 0.963 369 A HN 0.578 nan 8.150 nan 0.000 0.511 370 P HA 0.178 nan 4.420 nan 0.000 0.274 370 P C 0.326 177.674 177.300 0.080 0.000 1.246 370 P CA -0.240 62.945 63.100 0.142 0.000 0.795 370 P CB 0.577 32.287 31.700 0.016 0.000 1.006 371 E N 0.507 120.735 120.200 0.047 0.000 2.082 371 E HA -0.186 4.163 4.350 -0.001 0.000 0.215 371 E C 0.687 177.304 176.600 0.029 0.000 1.048 371 E CA 1.882 58.301 56.400 0.032 0.000 0.869 371 E CB -1.056 28.652 29.700 0.014 0.000 0.773 371 E HN 0.600 nan 8.360 nan 0.000 0.466 372 S N 0.440 116.147 115.700 0.013 0.000 2.554 372 S HA 0.430 4.899 4.470 -0.001 0.000 0.278 372 S C 0.061 174.680 174.600 0.031 0.000 1.242 372 S CA -0.847 57.361 58.200 0.015 0.000 1.051 372 S CB 1.394 64.590 63.200 -0.006 0.000 0.986 372 S HN 0.048 nan 8.310 nan 0.000 0.502 373 I N 3.196 123.796 120.570 0.051 0.000 2.328 373 I HA 0.346 4.515 4.170 -0.001 0.000 0.287 373 I C -2.431 173.740 176.117 0.090 0.000 1.012 373 I CA -2.494 58.855 61.300 0.082 0.000 1.195 373 I CB 0.893 38.946 38.000 0.087 0.000 1.350 373 I HN 0.432 nan 8.210 nan 0.000 0.464 374 P HA 0.104 nan 4.420 nan 0.000 0.267 374 P C 0.097 177.534 177.300 0.229 0.000 1.209 374 P CA 0.066 63.249 63.100 0.138 0.000 0.763 374 P CB 0.897 32.683 31.700 0.142 0.000 0.816 375 D N 0.155 120.661 120.400 0.177 0.000 2.346 375 D HA 0.001 4.640 4.640 -0.001 0.000 0.206 375 D C 0.990 177.458 176.300 0.280 0.000 1.001 375 D CA 1.051 55.169 54.000 0.196 0.000 0.871 375 D CB 0.324 41.196 40.800 0.120 0.000 0.943 375 D HN 0.463 nan 8.370 nan 0.000 0.518 376 T N -3.622 111.074 114.554 0.238 0.000 2.838 376 T HA 0.275 4.624 4.350 -0.001 0.000 0.292 376 T C 0.476 175.120 174.700 -0.093 0.000 1.113 376 T CA -0.792 61.422 62.100 0.190 0.000 1.008 376 T CB 0.980 69.909 68.868 0.101 0.000 1.259 376 T HN -0.200 nan 8.240 nan 0.000 0.520 377 F N 0.581 120.253 119.950 -0.463 0.000 2.325 377 F HA 0.158 4.685 4.527 -0.001 0.000 0.299 377 F C 2.352 177.935 175.800 -0.360 0.000 1.090 377 F CA 1.561 59.121 58.000 -0.733 0.000 1.392 377 F CB -0.083 38.602 39.000 -0.524 0.000 1.053 377 F HN 0.859 nan 8.300 nan 0.000 0.521 378 E N -0.249 119.852 120.200 -0.165 0.000 2.107 378 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 378 E C 1.666 178.134 176.600 -0.220 0.000 0.982 378 E CA 1.230 57.517 56.400 -0.187 0.000 0.809 378 E CB -0.122 29.536 29.700 -0.070 0.000 0.756 378 E HN 0.327 nan 8.360 nan 0.000 0.459 379 D N 0.541 120.846 120.400 -0.159 0.000 2.092 379 D HA -0.164 4.475 4.640 -0.001 0.000 0.193 379 D C 1.884 178.076 176.300 -0.180 0.000 0.994 379 D CA 1.495 55.426 54.000 -0.114 0.000 0.828 379 D CB -0.362 40.424 40.800 -0.023 0.000 0.963 379 D HN 0.276 nan 8.370 nan 0.000 0.450 380 A N 0.803 123.475 122.820 -0.248 0.000 1.892 380 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 380 A C 2.475 179.824 177.584 -0.392 0.000 1.188 380 A CA 1.854 53.717 52.037 -0.291 0.000 0.631 380 A CB -1.023 17.754 19.000 -0.371 0.000 0.822 380 A HN 0.212 nan 8.150 nan 0.000 0.447 381 V N 0.631 120.240 119.914 -0.509 0.000 2.490 381 V HA -0.222 3.898 4.120 -0.001 0.000 0.250 381 V C 2.060 177.979 176.094 -0.292 0.000 1.061 381 V CA 2.533 64.571 62.300 -0.435 0.000 1.064 381 V CB -0.856 30.692 31.823 -0.459 0.000 0.670 381 V HN 0.609 nan 8.190 nan 0.000 0.461 382 N N 0.171 118.726 118.700 -0.242 0.000 2.142 382 N HA -0.025 4.714 4.740 -0.001 0.000 0.186 382 N C 1.674 177.084 175.510 -0.167 0.000 1.023 382 N CA 2.012 54.958 53.050 -0.174 0.000 0.852 382 N CB -0.239 38.168 38.487 -0.134 0.000 0.998 382 N HN 0.500 nan 8.380 nan 0.000 0.424 383 I N 0.212 120.672 120.570 -0.184 0.000 2.339 383 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 383 I C 1.697 177.666 176.117 -0.247 0.000 1.096 383 I CA 0.508 61.699 61.300 -0.181 0.000 1.408 383 I CB 0.001 37.905 38.000 -0.160 0.000 1.092 383 I HN 0.012 nan 8.210 nan 0.000 0.423 384 L N 0.428 121.452 121.223 -0.331 0.000 2.156 384 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 384 L C 0.669 177.358 176.870 -0.301 0.000 1.095 384 L CA 1.046 55.631 54.840 -0.426 0.000 0.770 384 L CB -1.134 40.588 42.059 -0.562 0.000 0.914 384 L HN 0.220 nan 8.230 nan 0.000 0.439 385 K N -0.719 119.531 120.400 -0.251 0.000 3.619 385 K HA -0.134 4.185 4.320 -0.001 0.000 0.275 385 K C -2.415 174.076 176.600 -0.182 0.000 0.993 385 K CA 0.115 56.284 56.287 -0.196 0.000 0.787 385 K CB -1.391 31.016 32.500 -0.155 0.000 1.431 385 K HN 0.214 nan 8.250 nan 0.000 0.451 386 P HA 0.180 nan 4.420 nan 0.000 0.282 386 P C 0.420 177.633 177.300 -0.145 0.000 1.249 386 P CA -0.487 62.519 63.100 -0.158 0.000 0.806 386 P CB 1.511 33.109 31.700 -0.171 0.000 0.984 387 S N -0.219 115.413 115.700 -0.112 0.000 2.446 387 S HA 0.066 4.535 4.470 -0.001 0.000 0.225 387 S C 0.602 175.123 174.600 -0.131 0.000 1.016 387 S CA 0.612 58.742 58.200 -0.115 0.000 0.943 387 S CB -0.595 62.542 63.200 -0.105 0.000 0.786 387 S HN 0.487 nan 8.310 nan 0.000 0.508 388 T N 1.858 116.327 114.554 -0.142 0.000 2.876 388 T HA 0.710 5.059 4.350 -0.001 0.000 0.289 388 T C -1.386 173.178 174.700 -0.227 0.000 1.014 388 T CA -0.422 61.551 62.100 -0.211 0.000 0.986 388 T CB 1.904 70.630 68.868 -0.236 0.000 1.021 388 T HN 0.118 nan 8.240 nan 0.000 0.458 389 I N 2.493 122.918 120.570 -0.241 0.000 2.533 389 I HA 0.558 4.727 4.170 -0.001 0.000 0.290 389 I C -1.283 174.816 176.117 -0.031 0.000 1.056 389 I CA -0.835 60.378 61.300 -0.145 0.000 1.057 389 I CB 1.470 39.309 38.000 -0.269 0.000 1.240 389 I HN 0.602 nan 8.210 nan 0.000 0.423 390 I N 6.686 127.297 120.570 0.067 0.000 2.517 390 I HA 0.396 4.565 4.170 -0.001 0.000 0.280 390 I C 0.262 176.589 176.117 0.350 0.000 1.061 390 I CA -0.607 60.788 61.300 0.158 0.000 1.091 390 I CB 1.716 39.580 38.000 -0.226 0.000 1.205 390 I HN 0.659 nan 8.210 nan 0.000 0.459 391 G N 4.193 113.197 108.800 0.341 0.000 2.333 391 G HA2 0.426 4.385 3.960 -0.001 0.000 0.290 391 G HA3 0.426 4.385 3.960 -0.001 0.000 0.290 391 G C -0.196 174.688 174.900 -0.027 0.000 1.150 391 G CA -0.140 44.879 45.100 -0.136 0.000 0.895 391 G HN 0.435 nan 8.290 nan 0.000 0.444 392 V N 2.200 122.131 119.914 0.028 0.000 3.342 392 V HA 0.449 4.568 4.120 -0.001 0.000 0.494 392 V C 0.980 177.093 176.094 0.031 0.000 1.598 392 V CA 0.512 62.849 62.300 0.061 0.000 1.948 392 V CB 0.191 32.117 31.823 0.171 0.000 1.274 392 V HN 0.903 nan 8.190 nan 0.000 0.650 393 A N 0.141 122.943 122.820 -0.030 0.000 2.115 393 A HA 0.564 4.883 4.320 -0.001 0.000 0.211 393 A C 1.901 179.463 177.584 -0.037 0.000 1.169 393 A CA 0.858 52.879 52.037 -0.027 0.000 0.787 393 A CB -0.112 18.858 19.000 -0.051 0.000 0.858 393 A HN 1.833 nan 8.150 nan 0.000 0.474 394 G N -1.364 107.405 108.800 -0.052 0.000 2.221 394 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.265 394 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.265 394 G C 0.762 175.633 174.900 -0.047 0.000 1.041 394 G CA 0.648 45.721 45.100 -0.045 0.000 0.807 394 G HN 1.488 nan 8.290 nan 0.000 0.502 395 A N -1.158 121.624 122.820 -0.063 0.000 2.390 395 A HA 0.739 5.058 4.320 -0.001 0.000 0.232 395 A C 1.862 179.416 177.584 -0.049 0.000 1.233 395 A CA 1.534 53.540 52.037 -0.052 0.000 0.907 395 A CB 0.237 19.205 19.000 -0.052 0.000 0.967 395 A HN 2.561 nan 8.150 nan 0.000 0.512 396 G N -0.143 108.621 108.800 -0.060 0.000 2.342 396 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.220 396 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.220 396 G C -0.842 174.022 174.900 -0.060 0.000 1.243 396 G CA -0.826 44.249 45.100 -0.041 0.000 1.083 396 G HN 0.239 nan 8.290 nan 0.000 0.500 397 R N 1.160 121.644 120.500 -0.026 0.000 3.710 397 R HA 0.226 4.565 4.340 -0.001 0.000 0.201 397 R C 0.954 177.248 176.300 -0.010 0.000 1.641 397 R CA -0.383 55.708 56.100 -0.015 0.000 1.390 397 R CB -0.178 30.132 30.300 0.016 0.000 1.341 397 R HN 0.295 nan 8.270 nan 0.000 0.728 398 L N 0.237 121.415 121.223 -0.074 0.000 2.313 398 L HA 0.107 4.446 4.340 -0.001 0.000 0.214 398 L C 0.948 177.896 176.870 0.131 0.000 1.119 398 L CA 0.832 55.642 54.840 -0.050 0.000 0.809 398 L CB -0.491 41.448 42.059 -0.200 0.000 0.933 398 L HN 0.359 nan 8.230 nan 0.000 0.449 399 F N 1.667 121.579 119.950 -0.063 0.000 2.567 399 F HA 0.074 4.600 4.527 -0.001 0.000 0.352 399 F C 1.131 176.933 175.800 0.003 0.000 1.229 399 F CA -0.905 57.096 58.000 0.002 0.000 1.228 399 F CB 0.069 39.081 39.000 0.019 0.000 1.568 399 F HN 0.039 nan 8.300 nan 0.000 0.634 400 T N -0.106 114.559 114.554 0.185 0.000 2.900 400 T HA 0.067 4.416 4.350 -0.001 0.000 0.307 400 T C -1.712 173.015 174.700 0.046 0.000 1.065 400 T CA -1.574 60.580 62.100 0.090 0.000 1.105 400 T CB 1.307 70.216 68.868 0.069 0.000 0.979 400 T HN 0.155 nan 8.240 nan 0.000 0.544 401 P HA -0.093 nan 4.420 nan 0.000 0.218 401 P C 0.652 177.937 177.300 -0.025 0.000 1.146 401 P CA 1.154 64.246 63.100 -0.014 0.000 0.813 401 P CB -0.059 31.632 31.700 -0.016 0.000 0.778 402 D N -1.264 119.127 120.400 -0.014 0.000 2.149 402 D HA -0.096 4.543 4.640 -0.001 0.000 0.201 402 D C 1.925 178.197 176.300 -0.047 0.000 0.972 402 D CA 0.679 54.662 54.000 -0.028 0.000 0.835 402 D CB -1.125 39.665 40.800 -0.016 0.000 0.966 402 D HN -0.012 nan 8.370 nan 0.000 0.476 403 V N 0.773 120.670 119.914 -0.028 0.000 2.343 403 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 403 V C 2.297 178.316 176.094 -0.125 0.000 1.051 403 V CA 1.244 63.507 62.300 -0.063 0.000 1.036 403 V CB -0.385 31.462 31.823 0.040 0.000 0.654 403 V HN 0.194 nan 8.190 nan 0.000 0.451 404 I N -0.608 119.902 120.570 -0.099 0.000 2.202 404 I HA -0.183 3.986 4.170 -0.001 0.000 0.242 404 I C 2.711 178.760 176.117 -0.114 0.000 1.091 404 I CA 1.423 62.648 61.300 -0.125 0.000 1.368 404 I CB -0.420 37.517 38.000 -0.103 0.000 1.058 404 I HN 0.171 nan 8.210 nan 0.000 0.410 405 R N 1.155 121.603 120.500 -0.087 0.000 2.096 405 R HA -0.028 4.311 4.340 -0.001 0.000 0.235 405 R C 1.345 177.592 176.300 -0.089 0.000 1.127 405 R CA 0.874 56.927 56.100 -0.078 0.000 0.968 405 R CB -0.592 29.672 30.300 -0.060 0.000 0.861 405 R HN 0.327 nan 8.270 nan 0.000 0.440 409 S N 0.184 115.834 115.700 -0.084 0.000 2.414 409 S HA 0.075 4.544 4.470 -0.001 0.000 0.227 409 S C 1.843 176.395 174.600 -0.080 0.000 1.022 409 S CA 1.265 59.420 58.200 -0.074 0.000 0.958 409 S CB -0.442 62.715 63.200 -0.071 0.000 0.797 409 S HN 0.453 nan 8.310 nan 0.000 0.493 410 I N 1.608 122.120 120.570 -0.097 0.000 2.277 410 I HA 0.019 4.189 4.170 -0.001 0.000 0.243 410 I C 0.433 176.494 176.117 -0.094 0.000 1.094 410 I CA 0.624 61.863 61.300 -0.102 0.000 1.393 410 I CB -0.222 37.702 38.000 -0.127 0.000 1.078 410 I HN 0.363 nan 8.210 nan 0.000 0.417 411 N N 0.610 119.253 118.700 -0.095 0.000 2.319 411 N HA 0.086 4.825 4.740 -0.001 0.000 0.305 411 N C 0.465 175.933 175.510 -0.070 0.000 1.103 411 N CA -0.294 52.704 53.050 -0.086 0.000 0.815 411 N CB 2.365 40.793 38.487 -0.098 0.000 1.288 411 N HN -0.067 nan 8.380 nan 0.000 0.493 412 E N 1.494 121.659 120.200 -0.059 0.000 2.047 412 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 412 E C -0.209 176.369 176.600 -0.037 0.000 0.987 412 E CA 1.608 57.983 56.400 -0.043 0.000 0.799 412 E CB 0.355 30.035 29.700 -0.034 0.000 0.752 412 E HN 0.419 nan 8.360 nan 0.000 0.449 413 R N 1.350 121.826 120.500 -0.040 0.000 2.443 413 R HA 0.337 4.676 4.340 -0.001 0.000 0.287 413 R C -2.402 173.870 176.300 -0.047 0.000 1.425 413 R CA -1.822 54.261 56.100 -0.028 0.000 1.300 413 R CB 1.296 31.593 30.300 -0.006 0.000 1.129 413 R HN 0.191 nan 8.270 nan 0.000 0.577 414 P HA 0.138 nan 4.420 nan 0.000 0.274 414 P C -0.162 177.094 177.300 -0.073 0.000 1.237 414 P CA -0.361 62.686 63.100 -0.088 0.000 0.793 414 P CB 1.201 32.834 31.700 -0.111 0.000 0.977 415 V N 3.667 123.513 119.914 -0.112 0.000 2.357 415 V HA 0.281 4.401 4.120 -0.001 0.000 0.284 415 V C 0.175 176.180 176.094 -0.149 0.000 1.018 415 V CA -0.474 61.746 62.300 -0.133 0.000 0.841 415 V CB 0.961 32.616 31.823 -0.279 0.000 0.991 415 V HN 0.342 nan 8.190 nan 0.000 0.437 416 I N 5.549 126.161 120.570 0.070 0.000 2.382 416 I HA 0.488 4.657 4.170 -0.001 0.000 0.286 416 I C -0.873 175.640 176.117 0.661 0.000 1.002 416 I CA -0.705 60.736 61.300 0.235 0.000 1.135 416 I CB 1.315 39.451 38.000 0.228 0.000 1.288 416 I HN 0.331 nan 8.210 nan 0.000 0.448 417 F N 4.704 124.809 119.950 0.257 0.000 2.366 417 F HA 0.523 5.049 4.527 -0.001 0.000 0.366 417 F C 0.634 176.558 175.800 0.208 0.000 1.096 417 F CA -1.687 56.394 58.000 0.134 0.000 1.060 417 F CB 1.685 40.735 39.000 0.083 0.000 1.282 417 F HN 0.517 nan 8.300 nan 0.000 0.450 418 A N 5.370 128.359 122.820 0.281 0.000 2.910 418 A HA 0.484 4.803 4.320 -0.001 0.000 0.316 418 A C 0.718 178.338 177.584 0.060 0.000 1.493 418 A CA -0.210 51.909 52.037 0.135 0.000 1.150 418 A CB -0.445 18.736 19.000 0.302 0.000 1.159 418 A HN 0.819 nan 8.150 nan 0.000 0.526 419 L N 0.745 121.999 121.223 0.051 0.000 2.599 419 L HA 0.051 4.390 4.340 -0.001 0.000 0.230 419 L C 0.947 177.830 176.870 0.021 0.000 1.141 419 L CA 0.083 54.945 54.840 0.037 0.000 0.877 419 L CB -0.053 42.058 42.059 0.087 0.000 1.009 419 L HN 0.493 nan 8.230 nan 0.000 0.447 420 S N 0.785 116.483 115.700 -0.002 0.000 2.549 420 S HA 0.183 4.653 4.470 -0.001 0.000 0.279 420 S C 0.130 174.721 174.600 -0.015 0.000 1.321 420 S CA -0.303 57.887 58.200 -0.018 0.000 1.054 420 S CB 0.355 63.524 63.200 -0.052 0.000 0.899 420 S HN 0.242 nan 8.310 nan 0.000 0.497 421 N N 3.295 121.975 118.700 -0.034 0.000 2.335 421 N HA 0.557 5.296 4.740 -0.001 0.000 0.304 421 N C -2.620 172.851 175.510 -0.064 0.000 1.135 421 N CA -1.579 51.434 53.050 -0.061 0.000 0.817 421 N CB 1.591 40.022 38.487 -0.093 0.000 1.294 421 N HN 0.277 nan 8.380 nan 0.000 0.497 422 P HA 0.179 nan 4.420 nan 0.000 0.293 422 P C 0.480 177.744 177.300 -0.060 0.000 1.304 422 P CA -0.032 63.014 63.100 -0.091 0.000 0.767 422 P CB 0.301 31.943 31.700 -0.096 0.000 1.247 423 T N -1.472 113.034 114.554 -0.081 0.000 2.760 423 T HA -0.216 4.133 4.350 -0.001 0.000 0.269 423 T C 1.831 176.557 174.700 0.042 0.000 1.047 423 T CA 1.918 63.993 62.100 -0.043 0.000 1.139 423 T CB -1.258 67.534 68.868 -0.126 0.000 0.855 423 T HN 0.500 nan 8.240 nan 0.000 0.471 424 A N 1.194 124.022 122.820 0.013 0.000 2.119 424 A HA -0.032 4.287 4.320 -0.001 0.000 0.217 424 A C 2.340 179.935 177.584 0.018 0.000 1.153 424 A CA 0.657 52.709 52.037 0.025 0.000 0.692 424 A CB -0.223 18.782 19.000 0.007 0.000 0.799 424 A HN 0.461 nan 8.150 nan 0.000 0.458 425 Q N -0.245 119.557 119.800 0.003 0.000 2.384 425 Q HA 0.308 4.647 4.340 -0.001 0.000 0.207 425 Q C 0.899 176.890 176.000 -0.014 0.000 0.904 425 Q CA 0.591 56.386 55.803 -0.013 0.000 0.933 425 Q CB -0.619 28.102 28.738 -0.028 0.000 1.077 425 Q HN 0.552 nan 8.270 nan 0.000 0.522 426 A N 1.682 124.520 122.820 0.030 0.000 2.561 426 A HA -0.033 4.286 4.320 -0.001 0.000 0.234 426 A C 0.771 178.351 177.584 -0.006 0.000 1.055 426 A CA 0.053 52.127 52.037 0.061 0.000 0.756 426 A CB 0.340 19.481 19.000 0.236 0.000 0.986 426 A HN 0.096 nan 8.150 nan 0.000 0.505 427 E N -0.099 120.024 120.200 -0.129 0.000 2.204 427 E HA 0.002 4.351 4.350 -0.001 0.000 0.195 427 E C 0.697 177.249 176.600 -0.081 0.000 0.990 427 E CA 1.617 57.828 56.400 -0.314 0.000 0.821 427 E CB -0.349 28.725 29.700 -1.044 0.000 0.750 427 E HN 0.962 nan 8.360 nan 0.000 0.477 428 C N -3.384 115.945 119.300 0.049 0.000 3.211 428 C HA 0.648 5.107 4.460 -0.001 0.000 0.350 428 C C -0.140 174.816 174.990 -0.057 0.000 1.413 428 C CA -0.559 58.484 59.018 0.043 0.000 1.203 428 C CB 1.029 28.828 27.740 0.099 0.000 1.506 428 C HN 0.233 nan 8.230 nan 0.000 0.448 429 T N -0.861 113.510 114.554 -0.304 0.000 2.948 429 T HA 0.692 5.041 4.350 -0.001 0.000 0.285 429 T C 1.141 175.222 174.700 -1.033 0.000 1.019 429 T CA 0.331 61.952 62.100 -0.798 0.000 1.013 429 T CB 1.491 70.057 68.868 -0.504 0.000 1.117 429 T HN 2.233 nan 8.240 nan 0.000 0.533 430 A N 0.679 122.771 122.820 -1.214 0.000 1.902 430 A HA -0.021 4.299 4.320 -0.001 0.000 0.217 430 A C 2.266 179.589 177.584 -0.436 0.000 1.181 430 A CA 1.278 52.804 52.037 -0.851 0.000 0.623 430 A CB -0.936 18.021 19.000 -0.072 0.000 0.818 430 A HN 0.910 nan 8.150 nan 0.000 0.443 431 E N 0.217 120.258 120.200 -0.264 0.000 2.049 431 E HA -0.238 4.112 4.350 -0.001 0.000 0.198 431 E C 1.930 178.430 176.600 -0.167 0.000 1.007 431 E CA 1.724 58.058 56.400 -0.109 0.000 0.809 431 E CB -0.476 29.183 29.700 -0.067 0.000 0.749 431 E HN 0.785 nan 8.360 nan 0.000 0.450 432 E N 0.772 120.826 120.200 -0.243 0.000 2.058 432 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 432 E C 2.068 178.505 176.600 -0.272 0.000 0.997 432 E CA 1.215 57.489 56.400 -0.210 0.000 0.801 432 E CB -0.183 29.405 29.700 -0.186 0.000 0.746 432 E HN 0.241 nan 8.360 nan 0.000 0.450 433 A N 0.735 123.263 122.820 -0.486 0.000 1.841 433 A HA -0.222 4.098 4.320 -0.001 0.000 0.216 433 A C 2.014 179.329 177.584 -0.447 0.000 1.199 433 A CA 1.588 53.281 52.037 -0.574 0.000 0.621 433 A CB -1.168 17.153 19.000 -1.133 0.000 0.835 433 A HN 0.330 nan 8.150 nan 0.000 0.445 434 Y N 0.423 120.508 120.300 -0.358 0.000 2.181 434 Y HA -0.224 4.325 4.550 -0.001 0.000 0.288 434 Y C 3.280 179.039 175.900 -0.234 0.000 1.146 434 Y CA 1.817 59.718 58.100 -0.331 0.000 1.164 434 Y CB -0.416 37.858 38.460 -0.310 0.000 0.982 434 Y HN 0.566 nan 8.280 nan 0.000 0.515 435 T N -1.867 112.682 114.554 -0.009 0.000 2.809 435 T HA -0.125 4.224 4.350 -0.001 0.000 0.260 435 T C 1.740 176.413 174.700 -0.044 0.000 1.039 435 T CA 0.828 62.920 62.100 -0.013 0.000 1.141 435 T CB -0.593 68.271 68.868 -0.007 0.000 0.869 435 T HN 0.088 nan 8.240 nan 0.000 0.437 436 L N 2.726 123.904 121.223 -0.075 0.000 2.362 436 L HA 0.144 4.483 4.340 -0.001 0.000 0.219 436 L C 2.549 179.373 176.870 -0.078 0.000 1.134 436 L CA 1.920 56.716 54.840 -0.074 0.000 0.807 436 L CB -1.021 40.987 42.059 -0.086 0.000 0.927 436 L HN 0.754 nan 8.230 nan 0.000 0.447 437 T N -4.995 109.504 114.554 -0.092 0.000 3.092 437 T HA 0.141 4.490 4.350 -0.001 0.000 0.258 437 T C 0.506 175.167 174.700 -0.066 0.000 1.031 437 T CA -0.078 61.969 62.100 -0.089 0.000 0.925 437 T CB -0.159 68.637 68.868 -0.120 0.000 1.036 437 T HN 0.404 nan 8.240 nan 0.000 0.544 438 E N 0.618 120.788 120.200 -0.049 0.000 2.416 438 E HA -0.196 4.153 4.350 -0.001 0.000 0.249 438 E C 0.974 177.557 176.600 -0.029 0.000 1.124 438 E CA 0.236 56.624 56.400 -0.021 0.000 0.732 438 E CB -2.113 27.581 29.700 -0.011 0.000 1.286 438 E HN 0.934 nan 8.360 nan 0.000 0.394 439 G N -0.034 108.700 108.800 -0.109 0.000 2.180 439 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.263 439 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.263 439 G C 0.837 175.611 174.900 -0.210 0.000 0.989 439 G CA 0.961 45.856 45.100 -0.342 0.000 0.692 439 G HN 0.445 nan 8.290 nan 0.000 0.526 440 R N -0.508 119.936 120.500 -0.093 0.000 2.127 440 R HA 0.151 4.490 4.340 -0.001 0.000 0.217 440 R C 2.530 178.809 176.300 -0.036 0.000 1.074 440 R CA 0.917 56.993 56.100 -0.039 0.000 0.991 440 R CB -0.428 29.853 30.300 -0.031 0.000 0.895 440 R HN 0.822 nan 8.270 nan 0.000 0.450 441 C N 0.014 119.272 119.300 -0.070 0.000 2.835 441 C HA 0.281 4.740 4.460 -0.001 0.000 0.340 441 C C 0.316 175.319 174.990 0.022 0.000 1.387 441 C CA -0.947 58.036 59.018 -0.058 0.000 2.196 441 C CB -0.337 27.319 27.740 -0.139 0.000 2.473 441 C HN 0.231 nan 8.230 nan 0.000 0.757 442 L N 1.212 122.473 121.223 0.064 0.000 2.442 442 L HA 0.442 4.781 4.340 -0.001 0.000 0.261 442 L C -0.335 176.695 176.870 0.266 0.000 1.000 442 L CA 0.044 54.986 54.840 0.170 0.000 0.882 442 L CB 0.619 42.764 42.059 0.143 0.000 1.207 442 L HN 0.759 nan 8.230 nan 0.000 0.443 443 F N 2.929 122.885 119.950 0.010 0.000 2.399 443 F HA 0.861 5.387 4.527 -0.001 0.000 0.328 443 F C 0.009 175.857 175.800 0.080 0.000 1.084 443 F CA -0.577 57.422 58.000 -0.002 0.000 1.053 443 F CB 1.576 40.328 39.000 -0.413 0.000 1.209 443 F HN 0.426 nan 8.300 nan 0.000 0.502 444 A N 2.984 125.272 122.820 -0.887 0.000 2.513 444 A HA 0.621 4.940 4.320 -0.001 0.000 0.296 444 A C -1.342 175.559 177.584 -1.139 0.000 1.052 444 A CA -0.166 51.322 52.037 -0.914 0.000 0.714 444 A CB 0.970 19.268 19.000 -1.169 0.000 1.279 444 A HN 1.066 nan 8.150 nan 0.000 0.397 445 S N 0.564 115.856 115.700 -0.680 0.000 2.599 445 S HA 0.728 5.197 4.470 -0.001 0.000 0.294 445 S C 0.829 175.379 174.600 -0.084 0.000 1.094 445 S CA -0.026 58.008 58.200 -0.276 0.000 0.931 445 S CB 1.596 64.924 63.200 0.212 0.000 1.093 445 S HN 1.743 nan 8.310 nan 0.000 0.488 446 G N 0.517 109.307 108.800 -0.017 0.000 2.494 446 G HA2 0.212 4.171 3.960 -0.001 0.000 0.216 446 G HA3 0.212 4.171 3.960 -0.001 0.000 0.216 446 G C 0.375 175.267 174.900 -0.015 0.000 1.140 446 G CA 0.071 45.166 45.100 -0.009 0.000 0.801 446 G HN 0.660 nan 8.290 nan 0.000 0.536 447 S N 1.020 116.687 115.700 -0.055 0.000 2.608 447 S HA 0.533 5.002 4.470 -0.001 0.000 0.291 447 S C -2.544 171.882 174.600 -0.290 0.000 1.146 447 S CA -1.055 57.040 58.200 -0.176 0.000 1.043 447 S CB 2.233 65.281 63.200 -0.253 0.000 1.037 447 S HN 0.022 nan 8.310 nan 0.000 0.520 448 P HA 0.234 nan 4.420 nan 0.000 0.271 448 P C -1.255 175.814 177.300 -0.385 0.000 1.220 448 P CA 0.180 63.169 63.100 -0.184 0.000 0.768 448 P CB -0.001 31.661 31.700 -0.063 0.000 0.848 449 F N 1.372 121.423 119.950 0.168 0.000 2.556 449 F HA 0.484 5.011 4.527 -0.001 0.000 0.314 449 F C 1.189 177.099 175.800 0.183 0.000 1.106 449 F CA -0.719 57.396 58.000 0.192 0.000 0.911 449 F CB 2.190 41.360 39.000 0.284 0.000 1.190 449 F HN 0.285 nan 8.300 nan 0.000 0.448 450 G N 2.385 111.397 108.800 0.354 0.000 2.539 450 G HA2 0.482 4.441 3.960 -0.001 0.000 0.258 450 G HA3 0.482 4.441 3.960 -0.001 0.000 0.258 450 G C -2.750 172.295 174.900 0.243 0.000 1.202 450 G CA -1.429 43.816 45.100 0.241 0.000 0.851 450 G HN 0.290 nan 8.290 nan 0.000 0.556 451 P HA 0.115 nan 4.420 nan 0.000 0.264 451 P C -0.351 177.024 177.300 0.126 0.000 1.179 451 P CA -0.145 63.041 63.100 0.144 0.000 0.763 451 P CB 0.712 32.463 31.700 0.085 0.000 0.806 452 V N 4.229 124.209 119.914 0.109 0.000 2.370 452 V HA 0.277 4.396 4.120 -0.001 0.000 0.283 452 V C 0.415 176.551 176.094 0.070 0.000 1.023 452 V CA -0.476 61.886 62.300 0.102 0.000 0.857 452 V CB 1.167 33.078 31.823 0.147 0.000 0.985 452 V HN 0.369 nan 8.190 nan 0.000 0.443 453 K N 5.491 125.926 120.400 0.058 0.000 2.263 453 K HA 0.525 4.844 4.320 -0.001 0.000 0.272 453 K C -0.729 175.906 176.600 0.059 0.000 1.033 453 K CA -0.346 55.962 56.287 0.035 0.000 0.884 453 K CB 1.129 33.639 32.500 0.018 0.000 1.107 453 K HN 0.601 nan 8.250 nan 0.000 0.460 454 L N 2.364 123.636 121.223 0.082 0.000 2.418 454 L HA 0.166 4.506 4.340 -0.001 0.000 0.265 454 L C 2.212 179.111 176.870 0.049 0.000 1.143 454 L CA -0.333 54.559 54.840 0.087 0.000 0.809 454 L CB 0.888 43.035 42.059 0.148 0.000 1.124 454 L HN 0.737 nan 8.230 nan 0.000 0.456 455 T N -1.824 112.754 114.554 0.040 0.000 2.721 455 T HA -0.253 4.096 4.350 -0.001 0.000 0.268 455 T C 1.157 175.871 174.700 0.022 0.000 1.038 455 T CA 1.667 63.783 62.100 0.026 0.000 1.145 455 T CB -0.480 68.401 68.868 0.022 0.000 0.858 455 T HN 0.819 nan 8.240 nan 0.000 0.459 456 D N 0.920 121.338 120.400 0.030 0.000 2.392 456 D HA 0.208 4.847 4.640 -0.001 0.000 0.228 456 D C 1.693 177.998 176.300 0.009 0.000 1.003 456 D CA 0.853 54.867 54.000 0.024 0.000 0.917 456 D CB -1.017 39.805 40.800 0.037 0.000 0.890 456 D HN 0.770 nan 8.370 nan 0.000 0.532 457 G N -0.194 108.608 108.800 0.004 0.000 2.217 457 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.246 457 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.246 457 G C 0.427 175.293 174.900 -0.056 0.000 0.990 457 G CA -0.041 45.047 45.100 -0.020 0.000 0.627 457 G HN 0.528 nan 8.290 nan 0.000 0.522 458 R N 0.466 120.933 120.500 -0.055 0.000 2.442 458 R HA 0.501 4.840 4.340 -0.001 0.000 0.291 458 R C 0.461 176.616 176.300 -0.241 0.000 1.069 458 R CA 0.537 56.526 56.100 -0.184 0.000 1.022 458 R CB 1.154 31.378 30.300 -0.127 0.000 0.976 458 R HN 0.751 nan 8.270 nan 0.000 0.443 459 V N 2.287 121.951 119.914 -0.416 0.000 2.448 459 V HA 0.589 4.708 4.120 -0.001 0.000 0.295 459 V C -1.084 174.677 176.094 -0.555 0.000 1.025 459 V CA -0.778 61.334 62.300 -0.313 0.000 0.859 459 V CB 1.227 32.955 31.823 -0.158 0.000 0.988 459 V HN 0.539 nan 8.190 nan 0.000 0.431 460 F N 2.386 122.163 119.950 -0.288 0.000 2.458 460 F HA 0.659 5.185 4.527 -0.001 0.000 0.336 460 F C 0.832 176.488 175.800 -0.239 0.000 1.114 460 F CA -0.512 57.228 58.000 -0.433 0.000 0.987 460 F CB 2.425 40.715 39.000 -1.184 0.000 1.130 460 F HN 0.518 nan 8.300 nan 0.000 0.458 461 T N 5.051 119.652 114.554 0.079 0.000 2.929 461 T HA 0.267 4.616 4.350 -0.001 0.000 0.331 461 T C -2.613 172.262 174.700 0.292 0.000 1.120 461 T CA -1.590 60.609 62.100 0.166 0.000 0.973 461 T CB 0.377 69.311 68.868 0.110 0.000 1.036 461 T HN 0.187 nan 8.240 nan 0.000 0.502 462 P HA 0.216 nan 4.420 nan 0.000 0.268 462 P C 0.455 177.965 177.300 0.350 0.000 1.204 462 P CA -0.083 63.340 63.100 0.538 0.000 0.768 462 P CB 0.703 32.862 31.700 0.764 0.000 0.842 463 G N 2.241 111.202 108.800 0.268 0.000 2.504 463 G HA2 0.256 4.216 3.960 -0.001 0.000 0.288 463 G HA3 0.256 4.216 3.960 -0.001 0.000 0.288 463 G C -0.889 174.163 174.900 0.254 0.000 1.182 463 G CA -0.465 44.803 45.100 0.279 0.000 0.894 463 G HN 0.530 nan 8.290 nan 0.000 0.521 464 Q N -0.084 119.881 119.800 0.275 0.000 2.372 464 Q HA 0.431 4.771 4.340 -0.001 0.000 0.259 464 Q C 0.270 176.185 176.000 -0.143 0.000 0.993 464 Q CA -0.628 55.244 55.803 0.115 0.000 0.854 464 Q CB 1.183 30.018 28.738 0.161 0.000 1.231 464 Q HN 0.595 nan 8.270 nan 0.000 0.462 465 G N 4.290 112.993 108.800 -0.162 0.000 2.865 465 G HA2 0.068 4.028 3.960 -0.001 0.000 0.292 465 G HA3 0.068 4.028 3.960 -0.001 0.000 0.292 465 G C -0.375 174.452 174.900 -0.121 0.000 0.800 465 G CA -0.144 44.783 45.100 -0.288 0.000 1.838 465 G HN 0.516 nan 8.290 nan 0.000 0.535 466 N N 1.387 120.047 118.700 -0.067 0.000 2.295 466 N HA 0.037 4.776 4.740 -0.001 0.000 0.293 466 N C 0.912 176.509 175.510 0.145 0.000 1.040 466 N CA -0.593 52.513 53.050 0.093 0.000 0.840 466 N CB 1.453 40.033 38.487 0.154 0.000 1.468 466 N HN 0.355 nan 8.380 nan 0.000 0.478 467 N N 1.883 120.716 118.700 0.222 0.000 2.588 467 N HA -0.147 4.592 4.740 -0.001 0.000 0.190 467 N C 1.410 177.115 175.510 0.325 0.000 1.094 467 N CA 0.590 53.826 53.050 0.309 0.000 0.921 467 N CB -0.093 38.623 38.487 0.381 0.000 0.959 467 N HN 0.269 nan 8.380 nan 0.000 0.448 468 V N -0.512 119.509 119.914 0.178 0.000 2.720 468 V HA -0.217 3.902 4.120 -0.001 0.000 0.256 468 V C 1.187 176.973 176.094 -0.514 0.000 1.082 468 V CA 1.431 63.532 62.300 -0.332 0.000 1.101 468 V CB -0.719 30.874 31.823 -0.383 0.000 0.693 468 V HN 0.365 nan 8.190 nan 0.000 0.479 469 Y N -1.055 119.095 120.300 -0.249 0.000 2.516 469 Y HA -0.005 4.544 4.550 -0.001 0.000 0.291 469 Y C 2.094 177.883 175.900 -0.184 0.000 1.131 469 Y CA 1.084 59.050 58.100 -0.222 0.000 1.281 469 Y CB 0.348 38.677 38.460 -0.218 0.000 1.013 469 Y HN 0.244 nan 8.280 nan 0.000 0.554 470 I N -1.709 118.866 120.570 0.010 0.000 3.132 470 I HA -0.126 4.043 4.170 -0.001 0.000 0.255 470 I C 2.181 178.298 176.117 0.000 0.000 1.118 470 I CA 0.644 61.973 61.300 0.048 0.000 1.463 470 I CB -1.468 36.647 38.000 0.191 0.000 1.356 470 I HN 0.178 nan 8.210 nan 0.000 0.463 471 F N 2.620 122.620 119.950 0.083 0.000 2.154 471 F HA -0.034 4.493 4.527 -0.001 0.000 0.301 471 F C -0.797 174.896 175.800 -0.177 0.000 1.087 471 F CA 1.021 59.059 58.000 0.062 0.000 1.274 471 F CB -2.790 36.368 39.000 0.265 0.000 1.009 471 F HN 0.079 nan 8.300 nan 0.000 0.485 472 P HA 0.014 nan 4.420 nan 0.000 0.214 472 P C 2.121 179.216 177.300 -0.343 0.000 1.162 472 P CA 2.210 64.957 63.100 -0.589 0.000 0.874 472 P CB -0.466 30.852 31.700 -0.636 0.000 0.784 473 G N -0.252 108.391 108.800 -0.262 0.000 2.422 473 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 473 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 473 G C 1.647 176.456 174.900 -0.152 0.000 1.146 473 G CA 0.639 45.639 45.100 -0.167 0.000 0.769 473 G HN 0.155 nan 8.290 nan 0.000 0.547 474 V N 1.314 121.122 119.914 -0.176 0.000 2.358 474 V HA -0.076 4.043 4.120 -0.001 0.000 0.246 474 V C 3.291 179.260 176.094 -0.207 0.000 1.047 474 V CA 1.892 64.055 62.300 -0.227 0.000 1.035 474 V CB -0.611 31.008 31.823 -0.340 0.000 0.658 474 V HN 0.473 nan 8.190 nan 0.000 0.452 475 A N -0.075 122.635 122.820 -0.184 0.000 1.877 475 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 475 A C 2.170 179.729 177.584 -0.043 0.000 1.186 475 A CA 2.163 54.145 52.037 -0.092 0.000 0.620 475 A CB -0.618 18.280 19.000 -0.170 0.000 0.822 475 A HN 0.473 nan 8.150 nan 0.000 0.443 476 L N -0.319 120.855 121.223 -0.081 0.000 2.042 476 L HA -0.091 4.249 4.340 -0.001 0.000 0.210 476 L C 2.630 179.492 176.870 -0.014 0.000 1.076 476 L CA 2.240 57.057 54.840 -0.037 0.000 0.749 476 L CB -0.622 41.399 42.059 -0.062 0.000 0.893 476 L HN 0.348 nan 8.230 nan 0.000 0.432 477 A N -0.993 121.809 122.820 -0.030 0.000 1.858 477 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 477 A C 2.241 179.836 177.584 0.019 0.000 1.190 477 A CA 2.036 54.077 52.037 0.008 0.000 0.617 477 A CB -1.220 17.771 19.000 -0.016 0.000 0.827 477 A HN 0.283 nan 8.150 nan 0.000 0.443 478 V N 0.207 120.109 119.914 -0.020 0.000 2.324 478 V HA -0.309 3.810 4.120 -0.001 0.000 0.250 478 V C 2.437 178.558 176.094 0.045 0.000 1.060 478 V CA 2.209 64.507 62.300 -0.003 0.000 1.042 478 V CB -0.727 31.082 31.823 -0.024 0.000 0.650 478 V HN 0.558 nan 8.190 nan 0.000 0.450 479 I N -0.771 119.835 120.570 0.060 0.000 2.113 479 I HA -0.234 3.935 4.170 -0.001 0.000 0.238 479 I C 2.342 178.517 176.117 0.097 0.000 1.070 479 I CA 1.490 62.840 61.300 0.084 0.000 1.332 479 I CB -0.332 37.721 38.000 0.088 0.000 1.044 479 I HN 0.223 nan 8.210 nan 0.000 0.402 480 L N -0.295 120.983 121.223 0.092 0.000 2.187 480 L HA -0.288 4.051 4.340 -0.001 0.000 0.213 480 L C 2.388 179.405 176.870 0.246 0.000 1.100 480 L CA 1.377 56.303 54.840 0.143 0.000 0.765 480 L CB -0.750 41.360 42.059 0.086 0.000 0.904 480 L HN 0.476 nan 8.230 nan 0.000 0.437 481 C N -0.577 118.819 119.300 0.160 0.000 2.618 481 C HA 0.087 4.546 4.460 -0.001 0.000 0.264 481 C C 1.281 176.285 174.990 0.024 0.000 1.334 481 C CA -0.178 58.882 59.018 0.070 0.000 1.731 481 C CB -1.548 26.165 27.740 -0.045 0.000 1.852 481 C HN 0.636 nan 8.230 nan 0.000 0.566 482 N N 0.808 119.564 118.700 0.092 0.000 2.738 482 N HA -0.155 4.584 4.740 -0.001 0.000 0.249 482 N C 0.062 175.663 175.510 0.151 0.000 1.047 482 N CA 0.531 53.654 53.050 0.123 0.000 0.707 482 N CB -0.583 38.005 38.487 0.168 0.000 0.937 482 N HN 0.727 nan 8.380 nan 0.000 0.545 483 T N -3.221 111.385 114.554 0.087 0.000 2.904 483 T HA 0.392 4.741 4.350 -0.001 0.000 0.290 483 T C 1.100 175.836 174.700 0.060 0.000 1.018 483 T CA -0.376 61.788 62.100 0.107 0.000 1.075 483 T CB 1.862 70.739 68.868 0.014 0.000 0.986 483 T HN 0.188 nan 8.240 nan 0.000 0.523 484 R N 0.348 120.841 120.500 -0.012 0.000 2.128 484 R HA 0.211 4.550 4.340 -0.001 0.000 0.211 484 R C 0.127 176.067 176.300 -0.600 0.000 1.067 484 R CA 0.561 56.430 56.100 -0.385 0.000 1.010 484 R CB 0.148 30.054 30.300 -0.658 0.000 0.922 484 R HN 0.777 nan 8.270 nan 0.000 0.457 485 H N -1.342 117.808 119.070 0.135 0.000 2.930 485 H HA 0.373 4.928 4.556 -0.001 0.000 0.371 485 H C -1.241 174.166 175.328 0.132 0.000 1.169 485 H CA -0.886 55.244 56.048 0.136 0.000 1.157 485 H CB 2.104 31.937 29.762 0.118 0.000 1.789 485 H HN -0.125 nan 8.280 nan 0.000 0.547 486 I N 2.299 123.037 120.570 0.281 0.000 2.307 486 I HA 0.240 4.410 4.170 -0.001 0.000 0.289 486 I C 0.196 176.474 176.117 0.270 0.000 1.021 486 I CA -0.434 60.992 61.300 0.210 0.000 1.224 486 I CB 1.135 39.243 38.000 0.179 0.000 1.376 486 I HN 0.568 nan 8.210 nan 0.000 0.470 487 S N 2.758 118.593 115.700 0.224 0.000 2.632 487 S HA 0.249 4.718 4.470 -0.001 0.000 0.267 487 S C 0.595 175.387 174.600 0.321 0.000 1.276 487 S CA -0.742 57.602 58.200 0.240 0.000 0.998 487 S CB 1.270 64.590 63.200 0.200 0.000 0.953 487 S HN 0.550 nan 8.310 nan 0.000 0.547 488 D N 1.079 121.662 120.400 0.304 0.000 2.264 488 D HA -0.054 4.585 4.640 -0.001 0.000 0.208 488 D C 2.064 178.546 176.300 0.303 0.000 0.966 488 D CA 1.397 55.614 54.000 0.362 0.000 0.864 488 D CB -0.428 40.502 40.800 0.217 0.000 0.933 488 D HN 0.693 nan 8.370 nan 0.000 0.499 489 S N -0.412 115.412 115.700 0.206 0.000 2.481 489 S HA -0.058 4.411 4.470 -0.001 0.000 0.231 489 S C 2.082 176.647 174.600 -0.058 0.000 0.996 489 S CA 0.252 58.520 58.200 0.113 0.000 0.942 489 S CB -0.269 63.045 63.200 0.190 0.000 0.768 489 S HN 0.052 nan 8.310 nan 0.000 0.520 490 V N 0.716 120.624 119.914 -0.010 0.000 2.427 490 V HA -0.033 4.087 4.120 -0.001 0.000 0.248 490 V C 1.949 177.824 176.094 -0.365 0.000 1.051 490 V CA 1.543 63.703 62.300 -0.233 0.000 1.048 490 V CB -0.936 30.724 31.823 -0.271 0.000 0.666 490 V HN 0.512 nan 8.190 nan 0.000 0.456 491 F N -0.863 119.058 119.950 -0.049 0.000 2.456 491 F HA 0.039 4.566 4.527 -0.001 0.000 0.298 491 F C 1.941 177.722 175.800 -0.032 0.000 1.104 491 F CA 0.902 58.886 58.000 -0.027 0.000 1.435 491 F CB -0.183 38.834 39.000 0.027 0.000 1.078 491 F HN 0.075 nan 8.300 nan 0.000 0.546 492 L N 0.134 121.409 121.223 0.087 0.000 2.068 492 L HA -0.135 4.204 4.340 -0.001 0.000 0.204 492 L C 2.512 179.346 176.870 -0.060 0.000 1.076 492 L CA 1.420 56.279 54.840 0.033 0.000 0.753 492 L CB -0.283 41.787 42.059 0.018 0.000 0.910 492 L HN -0.004 nan 8.230 nan 0.000 0.439 493 E N 0.336 120.409 120.200 -0.210 0.000 2.265 493 E HA -0.172 4.177 4.350 -0.001 0.000 0.196 493 E C 1.803 178.305 176.600 -0.163 0.000 0.996 493 E CA 1.306 57.544 56.400 -0.271 0.000 0.832 493 E CB -0.091 29.232 29.700 -0.628 0.000 0.756 493 E HN 0.556 nan 8.360 nan 0.000 0.491 494 A N 0.159 122.901 122.820 -0.131 0.000 2.016 494 A HA 0.244 4.563 4.320 -0.001 0.000 0.217 494 A C 2.315 179.900 177.584 0.001 0.000 1.162 494 A CA 1.217 53.210 52.037 -0.074 0.000 0.662 494 A CB -0.494 18.452 19.000 -0.091 0.000 0.812 494 A HN 0.348 nan 8.150 nan 0.000 0.450 495 A N 0.216 123.055 122.820 0.032 0.000 1.897 495 A HA -0.047 4.272 4.320 -0.001 0.000 0.215 495 A C 2.076 179.684 177.584 0.040 0.000 1.181 495 A CA 1.532 53.610 52.037 0.068 0.000 0.620 495 A CB -0.310 18.745 19.000 0.093 0.000 0.821 495 A HN 0.488 nan 8.150 nan 0.000 0.443 496 K N -0.085 120.321 120.400 0.010 0.000 1.985 496 K HA -0.069 4.250 4.320 -0.001 0.000 0.210 496 K C 2.319 178.920 176.600 0.002 0.000 1.047 496 K CA 1.220 57.509 56.287 0.002 0.000 0.932 496 K CB -0.411 32.078 32.500 -0.019 0.000 0.716 496 K HN 0.387 nan 8.250 nan 0.000 0.439 497 A N 1.453 124.266 122.820 -0.011 0.000 1.986 497 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 497 A C 2.101 179.691 177.584 0.010 0.000 1.171 497 A CA 1.439 53.473 52.037 -0.005 0.000 0.640 497 A CB -0.515 18.474 19.000 -0.018 0.000 0.811 497 A HN 0.280 nan 8.150 nan 0.000 0.451 498 L N -1.327 119.908 121.223 0.021 0.000 2.049 498 L HA -0.020 4.320 4.340 -0.001 0.000 0.203 498 L C 2.442 179.329 176.870 0.029 0.000 1.074 498 L CA 2.745 57.606 54.840 0.035 0.000 0.749 498 L CB -1.147 40.944 42.059 0.053 0.000 0.907 498 L HN 0.281 nan 8.230 nan 0.000 0.439 499 T N -0.798 113.773 114.554 0.028 0.000 2.803 499 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 499 T C 1.736 176.439 174.700 0.005 0.000 1.052 499 T CA 1.404 63.510 62.100 0.009 0.000 1.136 499 T CB -0.357 68.517 68.868 0.011 0.000 0.864 499 T HN 0.687 nan 8.240 nan 0.000 0.467 500 S N 0.541 116.247 115.700 0.010 0.000 2.720 500 S HA 0.083 4.552 4.470 -0.001 0.000 0.222 500 S C 1.520 176.126 174.600 0.011 0.000 0.958 500 S CA 0.072 58.278 58.200 0.009 0.000 0.943 500 S CB -0.160 63.046 63.200 0.009 0.000 0.779 500 S HN 0.508 nan 8.310 nan 0.000 0.526 501 Q N 0.026 119.834 119.800 0.013 0.000 2.350 501 Q HA 0.345 4.685 4.340 -0.001 0.000 0.225 501 Q C 0.350 176.361 176.000 0.017 0.000 0.878 501 Q CA -0.112 55.702 55.803 0.018 0.000 0.935 501 Q CB 0.273 29.027 28.738 0.028 0.000 1.099 501 Q HN 0.524 nan 8.270 nan 0.000 0.527 502 L N 3.553 124.781 121.223 0.008 0.000 2.418 502 L HA 0.064 4.404 4.340 -0.001 0.000 0.274 502 L C 0.318 177.192 176.870 0.007 0.000 1.135 502 L CA 0.111 54.953 54.840 0.004 0.000 0.870 502 L CB 0.687 42.734 42.059 -0.020 0.000 1.154 502 L HN 0.143 nan 8.230 nan 0.000 0.462 503 T N -1.184 113.377 114.554 0.012 0.000 2.918 503 T HA 0.153 4.503 4.350 -0.001 0.000 0.283 503 T C 0.871 175.578 174.700 0.012 0.000 1.001 503 T CA -0.571 61.536 62.100 0.012 0.000 1.041 503 T CB 1.339 70.215 68.868 0.013 0.000 1.028 503 T HN 0.648 nan 8.240 nan 0.000 0.511 504 D N 0.866 121.272 120.400 0.011 0.000 2.178 504 D HA -0.153 4.487 4.640 -0.001 0.000 0.201 504 D C 1.363 177.670 176.300 0.012 0.000 0.980 504 D CA 1.129 55.136 54.000 0.012 0.000 0.842 504 D CB -0.358 40.448 40.800 0.010 0.000 0.948 504 D HN 0.731 nan 8.370 nan 0.000 0.472 505 E N 0.609 120.815 120.200 0.010 0.000 2.107 505 E HA -0.073 4.277 4.350 -0.001 0.000 0.191 505 E C 1.979 178.586 176.600 0.011 0.000 0.982 505 E CA 0.993 57.397 56.400 0.007 0.000 0.809 505 E CB -0.214 29.489 29.700 0.005 0.000 0.756 505 E HN 0.462 nan 8.360 nan 0.000 0.459 506 E N 0.345 120.555 120.200 0.018 0.000 2.107 506 E HA -0.077 4.272 4.350 -0.001 0.000 0.191 506 E C 1.972 178.592 176.600 0.032 0.000 0.982 506 E CA 0.462 56.878 56.400 0.028 0.000 0.809 506 E CB -0.009 29.709 29.700 0.031 0.000 0.756 506 E HN 0.180 nan 8.360 nan 0.000 0.459 507 L N 0.415 121.654 121.223 0.026 0.000 2.027 507 L HA -0.129 4.210 4.340 -0.001 0.000 0.206 507 L C 2.385 179.284 176.870 0.048 0.000 1.074 507 L CA 0.926 55.786 54.840 0.033 0.000 0.745 507 L CB -0.315 41.758 42.059 0.024 0.000 0.898 507 L HN 0.154 nan 8.230 nan 0.000 0.433 508 A N -0.252 122.587 122.820 0.031 0.000 2.194 508 A HA -0.240 4.079 4.320 -0.001 0.000 0.220 508 A C 1.731 179.321 177.584 0.010 0.000 1.162 508 A CA 1.742 53.793 52.037 0.023 0.000 0.674 508 A CB -0.457 18.546 19.000 0.005 0.000 0.789 508 A HN 0.743 nan 8.150 nan 0.000 0.470 509 Q N -2.306 117.505 119.800 0.019 0.000 2.179 509 Q HA 0.442 4.782 4.340 -0.001 0.000 0.213 509 Q C 0.833 176.880 176.000 0.078 0.000 0.833 509 Q CA 0.257 56.053 55.803 -0.011 0.000 0.990 509 Q CB 0.254 28.977 28.738 -0.023 0.000 1.132 509 Q HN 0.814 nan 8.270 nan 0.000 0.493 510 G N 1.827 110.728 108.800 0.169 0.000 2.141 510 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.231 510 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.231 510 G C -0.168 174.873 174.900 0.235 0.000 0.984 510 G CA -0.489 44.785 45.100 0.291 0.000 0.660 510 G HN 0.231 nan 8.290 nan 0.000 0.525 511 R N -0.024 120.560 120.500 0.140 0.000 2.202 511 R HA 0.524 4.863 4.340 -0.001 0.000 0.334 511 R C 1.191 177.495 176.300 0.005 0.000 1.036 511 R CA -0.480 55.680 56.100 0.100 0.000 0.878 511 R CB 0.580 30.932 30.300 0.088 0.000 1.067 511 R HN 0.258 nan 8.270 nan 0.000 0.457 512 L N 2.938 124.099 121.223 -0.103 0.000 2.567 512 L HA 0.185 4.524 4.340 -0.001 0.000 0.225 512 L C -0.265 176.190 176.870 -0.691 0.000 1.119 512 L CA 0.419 55.038 54.840 -0.368 0.000 0.871 512 L CB 0.112 41.879 42.059 -0.486 0.000 1.036 512 L HN 0.540 nan 8.230 nan 0.000 0.459 513 Y N -1.684 118.549 120.300 -0.111 0.000 2.581 513 Y HA 0.438 4.987 4.550 -0.001 0.000 0.345 513 Y C -2.334 173.481 175.900 -0.140 0.000 1.036 513 Y CA -2.771 55.176 58.100 -0.254 0.000 1.042 513 Y CB 1.043 39.163 38.460 -0.566 0.000 1.289 513 Y HN -0.257 nan 8.280 nan 0.000 0.471 514 P HA 0.067 nan 4.420 nan 0.000 0.269 514 P C -2.637 174.781 177.300 0.198 0.000 1.217 514 P CA -0.980 62.183 63.100 0.105 0.000 0.783 514 P CB -0.075 31.693 31.700 0.115 0.000 0.898 515 P HA 0.012 nan 4.420 nan 0.000 0.268 515 P C 0.701 178.111 177.300 0.183 0.000 1.204 515 P CA -0.025 63.170 63.100 0.159 0.000 0.768 515 P CB 0.292 32.051 31.700 0.097 0.000 0.842 516 L N 4.235 125.563 121.223 0.175 0.000 2.265 516 L HA -0.155 4.185 4.340 -0.001 0.000 0.215 516 L C 2.065 178.938 176.870 0.005 0.000 1.117 516 L CA 1.844 56.721 54.840 0.063 0.000 0.782 516 L CB -1.140 40.933 42.059 0.022 0.000 0.914 516 L HN 0.425 nan 8.230 nan 0.000 0.441 517 A N -0.874 121.965 122.820 0.032 0.000 2.125 517 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 517 A C 1.641 179.227 177.584 0.003 0.000 1.156 517 A CA 1.536 53.579 52.037 0.010 0.000 0.671 517 A CB -0.600 18.411 19.000 0.018 0.000 0.794 517 A HN 0.671 nan 8.150 nan 0.000 0.459 518 N N -0.724 117.991 118.700 0.024 0.000 2.238 518 N HA 0.121 4.860 4.740 -0.001 0.000 0.222 518 N C 1.010 176.528 175.510 0.012 0.000 1.133 518 N CA 0.001 53.064 53.050 0.021 0.000 0.854 518 N CB 0.362 38.876 38.487 0.045 0.000 1.041 518 N HN 0.501 nan 8.380 nan 0.000 0.510 519 I N 1.779 122.328 120.570 -0.035 0.000 2.335 519 I HA -0.362 3.807 4.170 -0.001 0.000 0.251 519 I C 1.994 178.055 176.117 -0.094 0.000 1.129 519 I CA 1.708 62.945 61.300 -0.106 0.000 1.402 519 I CB 0.313 38.154 38.000 -0.264 0.000 1.069 519 I HN 0.066 nan 8.210 nan 0.000 0.424 520 Q N 0.382 120.136 119.800 -0.076 0.000 2.050 520 Q HA -0.266 4.073 4.340 -0.001 0.000 0.202 520 Q C 2.060 178.031 176.000 -0.048 0.000 0.980 520 Q CA 2.141 57.904 55.803 -0.067 0.000 0.840 520 Q CB -0.879 27.828 28.738 -0.052 0.000 0.898 520 Q HN 0.657 nan 8.270 nan 0.000 0.424 521 E N 0.854 121.037 120.200 -0.028 0.000 2.072 521 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 521 E C 1.890 178.486 176.600 -0.007 0.000 0.982 521 E CA 1.102 57.492 56.400 -0.017 0.000 0.803 521 E CB 0.135 29.830 29.700 -0.008 0.000 0.755 521 E HN 0.228 nan 8.360 nan 0.000 0.453 522 V N 1.192 121.113 119.914 0.011 0.000 2.233 522 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 522 V C 2.518 178.615 176.094 0.004 0.000 1.050 522 V CA 2.086 64.406 62.300 0.035 0.000 1.010 522 V CB -0.863 31.023 31.823 0.106 0.000 0.637 522 V HN 0.263 nan 8.190 nan 0.000 0.444 523 S N 0.034 115.717 115.700 -0.028 0.000 2.368 523 S HA -0.241 4.229 4.470 -0.001 0.000 0.226 523 S C 1.876 176.438 174.600 -0.063 0.000 1.044 523 S CA 2.180 60.337 58.200 -0.073 0.000 1.062 523 S CB -0.537 62.584 63.200 -0.132 0.000 0.931 523 S HN 0.485 nan 8.310 nan 0.000 0.440 524 I N 2.114 122.653 120.570 -0.053 0.000 2.335 524 I HA -0.191 3.978 4.170 -0.001 0.000 0.251 524 I C 2.199 178.300 176.117 -0.028 0.000 1.129 524 I CA 0.908 62.182 61.300 -0.044 0.000 1.402 524 I CB -0.314 37.663 38.000 -0.039 0.000 1.069 524 I HN 0.260 nan 8.210 nan 0.000 0.424 525 N N 0.470 119.159 118.700 -0.018 0.000 2.270 525 N HA -0.065 4.674 4.740 -0.001 0.000 0.181 525 N C 1.964 177.470 175.510 -0.007 0.000 1.016 525 N CA 1.273 54.319 53.050 -0.006 0.000 0.870 525 N CB -0.026 38.462 38.487 0.002 0.000 0.979 525 N HN 0.350 nan 8.380 nan 0.000 0.431 526 I N 1.237 121.798 120.570 -0.016 0.000 2.202 526 I HA -0.205 3.964 4.170 -0.001 0.000 0.242 526 I C 2.397 178.495 176.117 -0.032 0.000 1.091 526 I CA 0.748 62.033 61.300 -0.024 0.000 1.368 526 I CB -0.264 37.715 38.000 -0.035 0.000 1.058 526 I HN 0.022 nan 8.210 nan 0.000 0.410 527 A N 1.204 124.000 122.820 -0.040 0.000 1.903 527 A HA -0.252 4.067 4.320 -0.001 0.000 0.219 527 A C 2.249 179.838 177.584 0.008 0.000 1.191 527 A CA 1.980 53.998 52.037 -0.032 0.000 0.638 527 A CB -1.063 17.912 19.000 -0.041 0.000 0.823 527 A HN 0.409 nan 8.150 nan 0.000 0.451 528 I N -0.396 120.183 120.570 0.015 0.000 2.163 528 I HA -0.285 3.884 4.170 -0.001 0.000 0.243 528 I C 2.388 178.538 176.117 0.054 0.000 1.085 528 I CA 1.583 62.909 61.300 0.042 0.000 1.347 528 I CB -0.255 37.762 38.000 0.028 0.000 1.044 528 I HN 0.179 nan 8.210 nan 0.000 0.408 529 K N 0.416 120.837 120.400 0.035 0.000 2.097 529 K HA -0.068 4.251 4.320 -0.001 0.000 0.206 529 K C 2.173 178.816 176.600 0.072 0.000 1.049 529 K CA 1.154 57.467 56.287 0.043 0.000 0.933 529 K CB -0.496 32.012 32.500 0.014 0.000 0.717 529 K HN 0.248 nan 8.250 nan 0.000 0.442 530 V N 1.156 121.095 119.914 0.042 0.000 2.379 530 V HA -0.184 3.935 4.120 -0.001 0.000 0.245 530 V C 2.668 178.850 176.094 0.146 0.000 1.044 530 V CA 2.192 64.532 62.300 0.066 0.000 1.036 530 V CB -0.713 31.088 31.823 -0.037 0.000 0.664 530 V HN 0.467 nan 8.190 nan 0.000 0.453 531 T N -0.685 113.947 114.554 0.129 0.000 2.915 531 T HA -0.203 4.147 4.350 -0.001 0.000 0.269 531 T C 1.683 176.540 174.700 0.261 0.000 1.071 531 T CA 1.835 64.055 62.100 0.199 0.000 1.132 531 T CB -0.208 68.807 68.868 0.246 0.000 0.878 531 T HN 0.641 nan 8.240 nan 0.000 0.479 532 E N -0.753 119.558 120.200 0.184 0.000 2.072 532 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 532 E C 1.852 178.548 176.600 0.161 0.000 0.985 532 E CA 1.306 57.793 56.400 0.145 0.000 0.801 532 E CB -0.287 29.471 29.700 0.096 0.000 0.750 532 E HN 0.713 nan 8.360 nan 0.000 0.452 533 Y N 1.648 121.975 120.300 0.045 0.000 2.133 533 Y HA -0.192 4.357 4.550 -0.001 0.000 0.287 533 Y C 2.037 177.943 175.900 0.010 0.000 1.134 533 Y CA 1.350 59.462 58.100 0.020 0.000 1.133 533 Y CB -0.374 38.085 38.460 -0.003 0.000 0.987 533 Y HN -0.088 nan 8.280 nan 0.000 0.502 534 L N -0.942 120.267 121.223 -0.022 0.000 1.990 534 L HA -0.321 4.018 4.340 -0.001 0.000 0.213 534 L C 2.337 179.051 176.870 -0.261 0.000 1.072 534 L CA 1.986 56.711 54.840 -0.191 0.000 0.755 534 L CB -0.924 41.078 42.059 -0.095 0.000 0.889 534 L HN 0.276 nan 8.230 nan 0.000 0.432 535 Y N -0.480 119.721 120.300 -0.165 0.000 2.165 535 Y HA -0.305 4.245 4.550 -0.001 0.000 0.286 535 Y C 2.577 178.361 175.900 -0.194 0.000 1.155 535 Y CA 1.364 59.358 58.100 -0.176 0.000 1.164 535 Y CB -0.418 37.968 38.460 -0.123 0.000 0.978 535 Y HN 0.181 nan 8.280 nan 0.000 0.513 536 A N -0.040 122.757 122.820 -0.038 0.000 1.972 536 A HA -0.187 4.132 4.320 -0.001 0.000 0.219 536 A C 1.561 179.035 177.584 -0.182 0.000 1.169 536 A CA 1.759 53.739 52.037 -0.096 0.000 0.635 536 A CB -0.599 18.349 19.000 -0.085 0.000 0.810 536 A HN 0.581 nan 8.150 nan 0.000 0.446 537 N N 0.108 118.615 118.700 -0.321 0.000 2.279 537 N HA 0.065 4.804 4.740 -0.001 0.000 0.226 537 N C -0.744 174.625 175.510 -0.236 0.000 1.126 537 N CA -0.204 52.662 53.050 -0.306 0.000 0.846 537 N CB 0.357 38.549 38.487 -0.490 0.000 1.050 537 N HN 0.184 nan 8.380 nan 0.000 0.502 541 F N 1.005 120.817 119.950 -0.230 0.000 2.682 541 F HA 0.283 4.809 4.527 -0.001 0.000 0.308 541 F C 1.353 177.164 175.800 0.018 0.000 1.093 541 F CA -0.157 57.784 58.000 -0.099 0.000 1.244 541 F CB 0.616 39.575 39.000 -0.068 0.000 1.052 541 F HN 0.584 nan 8.300 nan 0.000 0.573 542 R N 2.142 122.706 120.500 0.107 0.000 2.489 542 R HA 0.085 4.424 4.340 -0.001 0.000 0.287 542 R C -1.163 175.310 176.300 0.288 0.000 1.053 542 R CA 0.139 56.373 56.100 0.222 0.000 1.036 542 R CB 0.120 30.542 30.300 0.204 0.000 0.966 542 R HN 0.370 nan 8.270 nan 0.000 0.432 543 Y N 3.639 123.996 120.300 0.096 0.000 2.446 543 Y HA 0.667 5.216 4.550 -0.001 0.000 0.345 543 Y C -2.349 173.577 175.900 0.044 0.000 0.984 543 Y CA -2.308 55.835 58.100 0.072 0.000 1.058 543 Y CB 1.117 39.618 38.460 0.069 0.000 1.220 543 Y HN 0.491 nan 8.280 nan 0.000 0.455 544 P HA 0.159 nan 4.420 nan 0.000 0.277 544 P C -1.289 175.999 177.300 -0.019 0.000 1.271 544 P CA -0.594 62.529 63.100 0.038 0.000 0.795 544 P CB 1.143 32.831 31.700 -0.021 0.000 1.101 545 E N 1.512 121.698 120.200 -0.023 0.000 2.290 545 E HA 0.163 4.513 4.350 -0.001 0.000 0.277 545 E C -1.818 174.527 176.600 -0.426 0.000 1.035 545 E CA -1.872 54.374 56.400 -0.256 0.000 0.873 545 E CB 0.200 29.762 29.700 -0.230 0.000 1.029 545 E HN 0.245 nan 8.360 nan 0.000 0.419 546 P HA -0.011 nan 4.420 nan 0.000 0.271 546 P C 0.124 177.204 177.300 -0.366 0.000 1.220 546 P CA 0.013 62.817 63.100 -0.494 0.000 0.768 546 P CB 1.398 32.676 31.700 -0.703 0.000 0.848 547 E N 1.610 121.680 120.200 -0.216 0.000 2.051 547 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 547 E C 0.051 176.575 176.600 -0.127 0.000 0.991 547 E CA 1.323 57.630 56.400 -0.155 0.000 0.799 547 E CB 0.033 29.674 29.700 -0.098 0.000 0.748 547 E HN 0.498 nan 8.360 nan 0.000 0.449 548 D N 0.336 120.681 120.400 -0.091 0.000 2.467 548 D HA 0.067 4.706 4.640 -0.001 0.000 0.220 548 D C 0.577 176.867 176.300 -0.016 0.000 1.103 548 D CA -0.264 53.709 54.000 -0.045 0.000 0.886 548 D CB 0.741 41.531 40.800 -0.017 0.000 1.025 548 D HN -0.267 nan 8.370 nan 0.000 0.514 549 K N 2.599 122.981 120.400 -0.031 0.000 2.020 549 K HA -0.099 4.220 4.320 -0.001 0.000 0.212 549 K C 1.863 178.517 176.600 0.090 0.000 1.050 549 K CA 1.555 57.862 56.287 0.034 0.000 0.929 549 K CB -0.811 31.699 32.500 0.017 0.000 0.714 549 K HN 0.478 nan 8.250 nan 0.000 0.443 550 A N 1.634 124.480 122.820 0.043 0.000 1.881 550 A HA -0.313 4.006 4.320 -0.001 0.000 0.219 550 A C 2.210 179.814 177.584 0.032 0.000 1.215 550 A CA 2.518 54.574 52.037 0.031 0.000 0.648 550 A CB -0.677 18.331 19.000 0.013 0.000 0.832 550 A HN 0.362 nan 8.150 nan 0.000 0.455 551 K N -1.838 118.584 120.400 0.036 0.000 2.097 551 K HA -0.222 4.097 4.320 -0.001 0.000 0.206 551 K C 1.964 178.597 176.600 0.055 0.000 1.049 551 K CA 1.944 58.249 56.287 0.031 0.000 0.933 551 K CB -0.445 32.072 32.500 0.027 0.000 0.717 551 K HN 0.544 nan 8.250 nan 0.000 0.442 552 Y N 1.844 122.125 120.300 -0.032 0.000 2.128 552 Y HA -0.254 4.295 4.550 -0.001 0.000 0.284 552 Y C 1.964 177.859 175.900 -0.009 0.000 1.154 552 Y CA 1.755 59.840 58.100 -0.026 0.000 1.149 552 Y CB -0.494 37.943 38.460 -0.038 0.000 0.976 552 Y HN -0.126 nan 8.280 nan 0.000 0.505 553 V N 0.449 120.282 119.914 -0.135 0.000 2.244 553 V HA -0.286 3.833 4.120 -0.001 0.000 0.244 553 V C 2.225 178.224 176.094 -0.158 0.000 1.042 553 V CA 2.405 64.580 62.300 -0.209 0.000 1.006 553 V CB -0.796 30.991 31.823 -0.060 0.000 0.641 553 V HN 0.222 nan 8.190 nan 0.000 0.446 554 K N 0.202 120.551 120.400 -0.085 0.000 2.103 554 K HA -0.228 4.091 4.320 -0.001 0.000 0.207 554 K C 2.170 178.722 176.600 -0.081 0.000 1.048 554 K CA 1.705 57.951 56.287 -0.069 0.000 0.930 554 K CB -0.268 32.206 32.500 -0.044 0.000 0.716 554 K HN 0.498 nan 8.250 nan 0.000 0.444 555 E N 0.636 120.783 120.200 -0.088 0.000 2.209 555 E HA -0.169 4.181 4.350 -0.001 0.000 0.196 555 E C 0.551 177.092 176.600 -0.099 0.000 0.993 555 E CA 0.950 57.302 56.400 -0.080 0.000 0.819 555 E CB 0.213 29.877 29.700 -0.060 0.000 0.745 555 E HN 0.242 nan 8.360 nan 0.000 0.477 556 R N 0.394 120.804 120.500 -0.149 0.000 2.696 556 R HA 0.143 4.482 4.340 -0.001 0.000 0.355 556 R C -0.518 175.740 176.300 -0.070 0.000 1.138 556 R CA -0.044 55.980 56.100 -0.128 0.000 1.059 556 R CB 0.757 30.927 30.300 -0.217 0.000 1.380 556 R HN -0.054 nan 8.270 nan 0.000 0.578 557 T N -0.662 113.862 114.554 -0.050 0.000 2.799 557 T HA 0.140 4.489 4.350 -0.001 0.000 0.286 557 T C -0.524 174.201 174.700 0.041 0.000 0.973 557 T CA -0.752 61.345 62.100 -0.005 0.000 1.035 557 T CB 1.477 70.326 68.868 -0.030 0.000 0.932 557 T HN 0.272 nan 8.240 nan 0.000 0.469 558 W N 3.371 124.611 121.300 -0.100 0.000 2.251 558 W HA 0.382 5.041 4.660 -0.001 0.000 0.327 558 W C 0.238 176.693 176.519 -0.107 0.000 1.361 558 W CA -0.477 56.806 57.345 -0.103 0.000 1.234 558 W CB 0.298 29.684 29.460 -0.124 0.000 1.212 558 W HN 0.571 nan 8.180 nan 0.000 0.557 559 R N 2.589 122.643 120.500 -0.743 0.000 2.604 559 R HA 0.240 4.579 4.340 -0.001 0.000 0.287 559 R C 1.133 176.700 176.300 -1.222 0.000 0.970 559 R CA 0.094 55.759 56.100 -0.725 0.000 0.946 559 R CB 1.613 31.651 30.300 -0.436 0.000 1.127 559 R HN 0.521 nan 8.270 nan 0.000 0.473 560 S N 1.053 116.258 115.700 -0.825 0.000 2.605 560 S HA 0.064 4.533 4.470 -0.001 0.000 0.217 560 S C -0.191 174.092 174.600 -0.529 0.000 0.958 560 S CA -0.252 57.515 58.200 -0.722 0.000 0.919 560 S CB 0.084 63.073 63.200 -0.353 0.000 0.780 560 S HN 0.455 nan 8.310 nan 0.000 0.507 561 E N 1.789 121.716 120.200 -0.455 0.000 2.316 561 E HA 0.165 4.514 4.350 -0.001 0.000 0.275 561 E C -0.540 175.894 176.600 -0.277 0.000 1.029 561 E CA -0.521 55.663 56.400 -0.360 0.000 0.871 561 E CB 0.139 29.699 29.700 -0.234 0.000 1.022 561 E HN 0.545 nan 8.360 nan 0.000 0.418 562 Y N 1.249 121.464 120.300 -0.141 0.000 2.788 562 Y HA -0.096 4.453 4.550 -0.001 0.000 0.341 562 Y C 0.654 176.493 175.900 -0.102 0.000 1.258 562 Y CA 0.396 58.425 58.100 -0.120 0.000 1.503 562 Y CB 0.503 38.892 38.460 -0.118 0.000 1.325 562 Y HN 0.389 nan 8.280 nan 0.000 0.614 563 D N 0.186 120.652 120.400 0.110 0.000 2.272 563 D HA 0.243 4.882 4.640 -0.001 0.000 0.247 563 D C -0.788 175.541 176.300 0.048 0.000 0.990 563 D CA -0.608 53.419 54.000 0.045 0.000 0.931 563 D CB 1.278 42.096 40.800 0.030 0.000 1.195 563 D HN 0.407 nan 8.370 nan 0.000 0.477 564 S N 0.743 116.466 115.700 0.037 0.000 2.576 564 S HA 0.172 4.641 4.470 -0.001 0.000 0.276 564 S C 0.520 175.152 174.600 0.053 0.000 1.339 564 S CA -0.412 57.813 58.200 0.042 0.000 1.039 564 S CB 0.328 63.549 63.200 0.035 0.000 0.902 564 S HN 0.470 nan 8.310 nan 0.000 0.516 565 L N 3.244 124.509 121.223 0.070 0.000 2.766 565 L HA 0.343 4.682 4.340 -0.001 0.000 0.242 565 L C 0.247 177.154 176.870 0.061 0.000 1.136 565 L CA -0.216 54.672 54.840 0.080 0.000 0.933 565 L CB -0.121 42.018 42.059 0.133 0.000 1.241 565 L HN 0.527 nan 8.230 nan 0.000 0.522 566 L N 3.339 124.594 121.223 0.053 0.000 2.540 566 L HA 0.084 4.424 4.340 -0.001 0.000 0.276 566 L C -1.423 175.471 176.870 0.040 0.000 1.212 566 L CA -1.168 53.696 54.840 0.041 0.000 0.893 566 L CB 0.071 42.153 42.059 0.038 0.000 1.138 566 L HN -0.034 nan 8.230 nan 0.000 0.491 567 P HA -0.019 nan 4.420 nan 0.000 0.271 567 P C -0.691 176.644 177.300 0.059 0.000 1.233 567 P CA -0.389 62.733 63.100 0.038 0.000 0.789 567 P CB 0.608 32.319 31.700 0.018 0.000 0.951 568 D N 1.051 121.504 120.400 0.089 0.000 2.558 568 D HA 0.142 4.782 4.640 -0.001 0.000 0.221 568 D C -0.469 175.989 176.300 0.263 0.000 1.143 568 D CA -0.236 53.859 54.000 0.158 0.000 1.010 568 D CB -0.644 40.252 40.800 0.160 0.000 1.068 568 D HN -0.058 nan 8.370 nan 0.000 0.511 569 V N 4.556 124.567 119.914 0.162 0.000 2.530 569 V HA 0.365 4.484 4.120 -0.001 0.000 0.282 569 V C -0.085 176.140 176.094 0.218 0.000 1.048 569 V CA -0.328 62.024 62.300 0.086 0.000 0.997 569 V CB -0.084 31.742 31.823 0.005 0.000 0.987 569 V HN 0.334 nan 8.190 nan 0.000 0.477 570 Y N 0.652 120.942 120.300 -0.016 0.000 2.592 570 Y HA 0.660 5.209 4.550 -0.001 0.000 0.334 570 Y C -0.595 175.317 175.900 0.021 0.000 1.136 570 Y CA -1.179 56.935 58.100 0.024 0.000 1.042 570 Y CB 1.316 39.816 38.460 0.067 0.000 1.325 570 Y HN 0.522 nan 8.280 nan 0.000 0.457 571 E N 1.341 121.620 120.200 0.132 0.000 2.319 571 E HA 0.186 4.535 4.350 -0.001 0.000 0.268 571 E C -1.518 175.268 176.600 0.309 0.000 1.050 571 E CA -0.591 55.861 56.400 0.087 0.000 0.878 571 E CB 0.762 30.521 29.700 0.098 0.000 1.066 571 E HN 0.636 nan 8.360 nan 0.000 0.406 572 W N 2.472 123.763 121.300 -0.016 0.000 2.496 572 W HA 0.338 4.997 4.660 -0.001 0.000 0.327 572 W C -1.547 174.986 176.519 0.023 0.000 1.086 572 W CA -2.141 55.214 57.345 0.018 0.000 1.222 572 W CB -0.206 29.241 29.460 -0.021 0.000 1.304 572 W HN 0.536 nan 8.180 nan 0.000 0.547 573 P HA 0.000 nan 4.420 nan 0.000 0.216 573 P CA 0.000 63.147 63.100 0.078 0.000 0.800 573 P CB 0.000 31.699 31.700 -0.002 0.000 0.726