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 3hvn_1_A DATA FIRST_RESID 32 DATA SEQUENCE DINQYFQSLT YEPQEILTNE GEYIDNPPAT TGMLENGRFV VLRREKKNIT DATA SEQUENCE NNSADIAVID AKAANIYPGA LLRADQNLLD NNPTLISIAR GDLTLSLNLP DATA SEQUENCE GLANGDSHTV VNSPTRSTVR TGVNNLLSKW NNTYAGEYGN TQAELQYDET DATA SEQUENCE MAYSMSQLKT KFGTSFEKIA VPLDINFDAV NSGEKQVQIV NFKQIYYTVS DATA SEQUENCE VDEPESPSKL FXXGTTVEDL KRNGITDEVP PVYVSSVSYG RSMFIKLETS DATA SEQUENCE SRSTQVQAAF KAAIKGVDIS GNAEYQDILK NTSFSAYIFG GDAGSAATVV DATA SEQUENCE SGNIETLKKI IEEGARYGKL NLGVPISYST NFVKDNRPAQ ILSNSEYIET DATA SEQUENCE TSTVHNSSAL TLDHSGAYVA KYNITWEEVS YNEAGEEVWE PKAWDKNGVN DATA SEQUENCE LTSHWSETIQ IPGNARNLHV NIQECTGLAW EWWRTVYDKD LPLVGQRKIT DATA SEQUENCE IWGTTLYPQY ADEVIELE 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 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.359 176.300 0.098 0.000 2.045 32 D CA 0.000 54.035 54.000 0.058 0.000 0.868 32 D CB 0.000 40.839 40.800 0.066 0.000 0.688 33 I N 2.368 123.010 120.570 0.121 0.000 2.277 33 I HA -0.050 4.122 4.170 0.003 0.000 0.243 33 I C 1.952 178.296 176.117 0.379 0.000 1.094 33 I CA 0.697 62.129 61.300 0.220 0.000 1.393 33 I CB -0.462 37.654 38.000 0.193 0.000 1.078 33 I HN 0.416 nan 8.210 nan 0.000 0.417 34 N N 0.606 119.474 118.700 0.280 0.000 2.137 34 N HA -0.237 4.505 4.740 0.003 0.000 0.190 34 N C 1.796 177.452 175.510 0.244 0.000 1.017 34 N CA 1.287 54.491 53.050 0.257 0.000 0.859 34 N CB -0.411 38.156 38.487 0.133 0.000 1.002 34 N HN 0.502 nan 8.380 nan 0.000 0.428 35 Q N -0.893 119.021 119.800 0.189 0.000 2.050 35 Q HA -0.164 4.177 4.340 0.003 0.000 0.202 35 Q C 1.718 177.822 176.000 0.174 0.000 0.980 35 Q CA 1.324 57.216 55.803 0.149 0.000 0.840 35 Q CB -0.301 28.506 28.738 0.116 0.000 0.898 35 Q HN 0.490 nan 8.270 nan 0.000 0.424 36 Y N 0.224 120.570 120.300 0.077 0.000 2.181 36 Y HA -0.230 4.322 4.550 0.003 0.000 0.288 36 Y C 1.687 177.597 175.900 0.017 0.000 1.146 36 Y CA 1.245 59.352 58.100 0.012 0.000 1.164 36 Y CB -0.279 38.146 38.460 -0.058 0.000 0.982 36 Y HN 0.005 nan 8.280 nan 0.000 0.515 37 F N 0.754 120.718 119.950 0.023 0.000 2.134 37 F HA -0.258 4.271 4.527 0.003 0.000 0.299 37 F C 2.477 178.246 175.800 -0.051 0.000 1.097 37 F CA 2.097 60.088 58.000 -0.016 0.000 1.264 37 F CB -0.568 38.501 39.000 0.115 0.000 1.001 37 F HN 0.125 nan 8.300 nan 0.000 0.479 38 Q N -0.689 119.206 119.800 0.159 0.000 2.167 38 Q HA -0.155 4.186 4.340 0.003 0.000 0.202 38 Q C 2.353 178.342 176.000 -0.018 0.000 0.970 38 Q CA 1.688 57.529 55.803 0.064 0.000 0.855 38 Q CB -0.322 28.455 28.738 0.065 0.000 0.911 38 Q HN 0.457 nan 8.270 nan 0.000 0.438 39 S N 0.242 115.908 115.700 -0.056 0.000 2.436 39 S HA -0.006 4.465 4.470 0.003 0.000 0.228 39 S C 0.912 175.410 174.600 -0.170 0.000 1.014 39 S CA -0.124 58.020 58.200 -0.093 0.000 0.950 39 S CB -0.356 62.811 63.200 -0.055 0.000 0.784 39 S HN 0.222 nan 8.310 nan 0.000 0.504 40 L N 2.892 123.953 121.223 -0.271 0.000 2.660 40 L HA 0.066 4.408 4.340 0.003 0.000 0.272 40 L C -0.306 176.473 176.870 -0.152 0.000 1.194 40 L CA 0.240 54.946 54.840 -0.223 0.000 0.945 40 L CB -0.184 41.791 42.059 -0.140 0.000 1.212 40 L HN 0.223 nan 8.230 nan 0.000 0.490 41 T N 3.964 118.462 114.554 -0.094 0.000 3.053 41 T HA 0.444 4.796 4.350 0.003 0.000 0.363 41 T C -0.642 174.034 174.700 -0.041 0.000 1.239 41 T CA -0.442 61.581 62.100 -0.129 0.000 1.071 41 T CB -0.083 68.738 68.868 -0.080 0.000 1.089 41 T HN 0.403 nan 8.240 nan 0.000 0.527 42 Y N -0.310 119.951 120.300 -0.065 0.000 2.633 42 Y HA 0.740 5.292 4.550 0.003 0.000 0.339 42 Y C -0.374 175.475 175.900 -0.086 0.000 1.045 42 Y CA -1.816 56.251 58.100 -0.056 0.000 1.098 42 Y CB 1.174 39.615 38.460 -0.031 0.000 1.296 42 Y HN 0.366 nan 8.280 nan 0.000 0.494 43 E N 0.669 120.973 120.200 0.174 0.000 2.121 43 E HA 0.325 4.677 4.350 0.003 0.000 0.255 43 E C -2.686 173.978 176.600 0.106 0.000 0.906 43 E CA -1.981 54.452 56.400 0.055 0.000 0.745 43 E CB 1.725 31.439 29.700 0.023 0.000 1.155 43 E HN 0.368 nan 8.360 nan 0.000 0.424 44 P HA -0.268 nan 4.420 nan 0.000 0.215 44 P C 1.534 178.876 177.300 0.070 0.000 1.157 44 P CA 1.272 64.293 63.100 -0.130 0.000 0.874 44 P CB 0.295 31.590 31.700 -0.675 0.000 0.790 45 Q N -0.152 119.661 119.800 0.022 0.000 2.119 45 Q HA -0.170 4.171 4.340 0.003 0.000 0.201 45 Q C 1.903 177.939 176.000 0.059 0.000 0.972 45 Q CA 1.573 57.408 55.803 0.053 0.000 0.847 45 Q CB -0.796 27.953 28.738 0.019 0.000 0.903 45 Q HN 0.160 nan 8.270 nan 0.000 0.433 46 E N -0.218 120.011 120.200 0.049 0.000 2.347 46 E HA -0.053 4.298 4.350 0.003 0.000 0.196 46 E C 1.479 178.116 176.600 0.062 0.000 1.008 46 E CA 0.477 56.905 56.400 0.046 0.000 0.852 46 E CB 0.060 29.782 29.700 0.035 0.000 0.783 46 E HN 0.476 nan 8.360 nan 0.000 0.505 47 I N 0.227 120.851 120.570 0.090 0.000 3.883 47 I HA 0.019 4.191 4.170 0.003 0.000 0.326 47 I C 0.391 176.568 176.117 0.099 0.000 1.283 47 I CA 0.228 61.585 61.300 0.095 0.000 1.161 47 I CB 0.413 38.482 38.000 0.115 0.000 1.012 47 I HN -0.088 nan 8.210 nan 0.000 0.421 48 L N 0.805 122.092 121.223 0.106 0.000 3.096 48 L HA 0.311 4.652 4.340 0.003 0.000 0.272 48 L C -0.503 176.400 176.870 0.056 0.000 1.311 48 L CA -0.147 54.745 54.840 0.087 0.000 0.943 48 L CB 0.579 42.712 42.059 0.123 0.000 1.348 48 L HN -0.023 nan 8.230 nan 0.000 0.562 49 T N -0.569 114.012 114.554 0.045 0.000 2.855 49 T HA 0.429 4.780 4.350 0.003 0.000 0.281 49 T C -0.222 174.494 174.700 0.027 0.000 1.007 49 T CA -0.537 61.583 62.100 0.033 0.000 1.009 49 T CB 1.678 70.565 68.868 0.031 0.000 0.983 49 T HN 0.022 nan 8.240 nan 0.000 0.455 50 N N 2.950 121.663 118.700 0.022 0.000 2.623 50 N HA 0.213 4.955 4.740 0.003 0.000 0.256 50 N C 0.103 175.628 175.510 0.024 0.000 1.045 50 N CA -0.571 52.492 53.050 0.022 0.000 0.863 50 N CB 1.484 39.981 38.487 0.017 0.000 1.182 50 N HN 0.785 nan 8.380 nan 0.000 0.523 51 E N 0.637 120.855 120.200 0.030 0.000 3.655 51 E HA 0.687 5.038 4.350 0.003 0.000 0.280 51 E C -0.004 176.625 176.600 0.050 0.000 1.425 51 E CA -1.031 55.390 56.400 0.035 0.000 1.341 51 E CB 0.520 30.241 29.700 0.035 0.000 1.349 51 E HN 0.307 nan 8.360 nan 0.000 0.775 52 G N 0.707 109.548 108.800 0.068 0.000 3.152 52 G HA2 -0.086 3.876 3.960 0.003 0.000 0.666 52 G HA3 -0.086 3.876 3.960 0.003 0.000 0.666 52 G C -0.197 174.768 174.900 0.109 0.000 1.205 52 G CA 0.038 45.205 45.100 0.111 0.000 1.178 52 G HN 0.646 nan 8.290 nan 0.000 0.510 53 E N 2.097 122.370 120.200 0.121 0.000 2.329 53 E HA 0.276 4.628 4.350 0.003 0.000 0.189 53 E C 0.503 177.195 176.600 0.153 0.000 0.997 53 E CA -0.262 56.187 56.400 0.082 0.000 1.062 53 E CB 0.327 30.026 29.700 -0.002 0.000 1.260 53 E HN 0.881 nan 8.360 nan 0.000 0.490 54 Y N 0.726 121.026 120.300 0.000 0.000 2.984 54 Y HA -0.189 4.363 4.550 0.002 0.000 0.193 54 Y C 0.501 176.400 175.900 -0.001 0.000 1.413 54 Y CA 0.524 58.623 58.100 -0.002 0.000 0.832 54 Y CB -0.772 37.685 38.460 -0.004 0.000 1.314 54 Y HN 0.387 nan 8.280 nan 0.000 0.386 55 I N -0.482 120.128 120.570 0.068 0.000 4.433 55 I HA 0.080 4.252 4.170 0.003 0.000 0.322 55 I C 1.051 177.180 176.117 0.020 0.000 1.284 55 I CA 0.840 62.167 61.300 0.045 0.000 1.269 55 I CB 0.120 38.126 38.000 0.010 0.000 1.219 55 I HN 0.580 nan 8.210 nan 0.000 0.436 56 D N 0.819 121.218 120.400 -0.001 0.000 3.393 56 D HA -0.282 4.360 4.640 0.003 0.000 0.178 56 D C -0.232 176.057 176.300 -0.018 0.000 1.201 56 D CA 1.493 55.487 54.000 -0.009 0.000 1.086 56 D CB -1.029 39.779 40.800 0.013 0.000 0.568 56 D HN 0.346 nan 8.370 nan 0.000 0.637 57 N N 1.087 119.780 118.700 -0.013 0.000 2.295 57 N HA 0.542 5.283 4.740 0.003 0.000 0.293 57 N C -2.598 172.902 175.510 -0.016 0.000 1.040 57 N CA -1.051 51.986 53.050 -0.021 0.000 0.840 57 N CB 1.869 40.343 38.487 -0.020 0.000 1.468 57 N HN 0.123 nan 8.380 nan 0.000 0.478 58 P HA 0.339 nan 4.420 nan 0.000 0.275 58 P C -2.536 174.753 177.300 -0.018 0.000 1.227 58 P CA -0.990 62.098 63.100 -0.020 0.000 0.781 58 P CB -0.178 31.500 31.700 -0.037 0.000 0.906 59 P HA 0.079 nan 4.420 nan 0.000 0.264 59 P C -0.052 177.236 177.300 -0.020 0.000 1.183 59 P CA 0.177 63.271 63.100 -0.010 0.000 0.763 59 P CB 0.113 31.810 31.700 -0.005 0.000 0.807 60 A N 3.160 125.971 122.820 -0.014 0.000 2.555 60 A HA 0.245 4.567 4.320 0.003 0.000 0.233 60 A C 0.860 178.420 177.584 -0.041 0.000 1.060 60 A CA 0.287 52.314 52.037 -0.017 0.000 0.759 60 A CB -0.686 18.316 19.000 0.004 0.000 0.995 60 A HN 0.683 nan 8.150 nan 0.000 0.506 61 T N 0.642 115.156 114.554 -0.067 0.000 2.946 61 T HA 0.438 4.789 4.350 0.003 0.000 0.311 61 T C 0.365 174.942 174.700 -0.203 0.000 1.063 61 T CA 0.388 62.395 62.100 -0.154 0.000 1.139 61 T CB -0.000 68.750 68.868 -0.196 0.000 0.994 61 T HN 1.498 nan 8.240 nan 0.000 0.547 62 T N -0.386 113.997 114.554 -0.286 0.000 2.864 62 T HA 0.787 5.139 4.350 0.003 0.000 0.289 62 T C -0.068 174.414 174.700 -0.362 0.000 1.082 62 T CA -0.710 61.260 62.100 -0.217 0.000 1.009 62 T CB 1.776 70.600 68.868 -0.074 0.000 1.234 62 T HN 1.071 nan 8.240 nan 0.000 0.526 63 G N 0.685 109.433 108.800 -0.086 0.000 2.566 63 G HA2 0.628 4.589 3.960 0.003 0.000 0.311 63 G HA3 0.628 4.589 3.960 0.003 0.000 0.311 63 G C -1.017 173.808 174.900 -0.125 0.000 1.322 63 G CA -0.844 44.157 45.100 -0.165 0.000 0.969 63 G HN 0.631 nan 8.290 nan 0.000 0.490 64 M N 0.776 120.148 119.600 -0.380 0.000 2.690 64 M HA 0.527 5.008 4.480 0.003 0.000 0.302 64 M C -1.394 174.893 176.300 -0.022 0.000 1.234 64 M CA -0.846 54.389 55.300 -0.109 0.000 0.853 64 M CB 2.140 34.682 32.600 -0.096 0.000 1.748 64 M HN 0.234 nan 8.290 nan 0.000 0.469 65 L N 1.544 122.843 121.223 0.125 0.000 2.305 65 L HA 0.430 4.771 4.340 0.003 0.000 0.284 65 L C -0.538 176.395 176.870 0.106 0.000 1.013 65 L CA 0.114 55.068 54.840 0.189 0.000 0.819 65 L CB 1.269 43.459 42.059 0.219 0.000 1.227 65 L HN 0.578 nan 8.230 nan 0.000 0.417 66 E N 3.609 123.867 120.200 0.097 0.000 2.283 66 E HA 0.324 4.675 4.350 0.003 0.000 0.258 66 E C -0.866 175.775 176.600 0.068 0.000 0.893 66 E CA -0.763 55.676 56.400 0.064 0.000 0.798 66 E CB 1.150 30.871 29.700 0.035 0.000 1.242 66 E HN 0.462 nan 8.360 nan 0.000 0.414 67 N N 2.084 120.821 118.700 0.061 0.000 2.688 67 N HA -0.219 4.522 4.740 0.003 0.000 0.258 67 N C 0.652 176.200 175.510 0.062 0.000 1.016 67 N CA 1.487 54.569 53.050 0.054 0.000 0.747 67 N CB -1.274 37.239 38.487 0.042 0.000 0.895 67 N HN 1.054 nan 8.380 nan 0.000 0.543 68 G N -1.231 107.614 108.800 0.075 0.000 2.168 68 G HA2 -0.377 3.584 3.960 0.003 0.000 0.257 68 G HA3 -0.377 3.584 3.960 0.003 0.000 0.257 68 G C 0.136 175.096 174.900 0.100 0.000 0.997 68 G CA 0.836 45.982 45.100 0.077 0.000 0.708 68 G HN 0.702 nan 8.290 nan 0.000 0.520 69 R N -1.449 119.126 120.500 0.125 0.000 2.854 69 R HA 0.701 5.042 4.340 0.003 0.000 0.271 69 R C -1.329 175.126 176.300 0.258 0.000 0.994 69 R CA -0.989 55.208 56.100 0.161 0.000 0.945 69 R CB 1.422 31.784 30.300 0.102 0.000 1.194 69 R HN 0.125 nan 8.270 nan 0.000 0.476 70 F N 1.622 121.652 119.950 0.134 0.000 2.402 70 F HA 0.353 4.881 4.527 0.003 0.000 0.355 70 F C -0.755 175.154 175.800 0.181 0.000 1.123 70 F CA -0.890 57.217 58.000 0.178 0.000 1.021 70 F CB 1.395 40.536 39.000 0.236 0.000 1.160 70 F HN 0.080 nan 8.300 nan 0.000 0.451 71 V N 7.361 127.039 119.914 -0.393 0.000 2.334 71 V HA 0.238 4.359 4.120 0.003 0.000 0.267 71 V C -0.351 175.423 176.094 -0.533 0.000 1.040 71 V CA -0.682 61.417 62.300 -0.334 0.000 0.866 71 V CB 0.967 32.670 31.823 -0.199 0.000 1.019 71 V HN 0.508 nan 8.190 nan 0.000 0.468 72 V N 7.208 126.930 119.914 -0.321 0.000 2.353 72 V HA 0.296 4.418 4.120 0.003 0.000 0.264 72 V C 0.036 175.988 176.094 -0.237 0.000 1.049 72 V CA -0.188 61.939 62.300 -0.289 0.000 0.896 72 V CB 1.265 33.107 31.823 0.031 0.000 1.025 72 V HN 0.689 nan 8.190 nan 0.000 0.475 73 L N 7.575 128.626 121.223 -0.287 0.000 2.255 73 L HA 0.558 4.900 4.340 0.003 0.000 0.289 73 L C 0.082 176.834 176.870 -0.197 0.000 1.046 73 L CA -0.248 54.480 54.840 -0.187 0.000 0.816 73 L CB 0.304 42.276 42.059 -0.145 0.000 1.197 73 L HN 0.572 nan 8.230 nan 0.000 0.427 74 R N 5.769 126.189 120.500 -0.133 0.000 2.371 74 R HA 0.384 4.725 4.340 0.003 0.000 0.312 74 R C -1.046 175.211 176.300 -0.071 0.000 0.980 74 R CA -0.654 55.377 56.100 -0.114 0.000 0.867 74 R CB 1.452 31.692 30.300 -0.099 0.000 1.163 74 R HN 0.609 nan 8.270 nan 0.000 0.492 75 R N 1.665 122.125 120.500 -0.067 0.000 2.310 75 R HA 0.304 4.645 4.340 0.003 0.000 0.324 75 R C -0.759 175.491 176.300 -0.083 0.000 0.955 75 R CA -0.847 55.218 56.100 -0.058 0.000 0.830 75 R CB 1.521 31.805 30.300 -0.027 0.000 1.154 75 R HN 0.607 nan 8.270 nan 0.000 0.458 76 E N 2.693 122.820 120.200 -0.122 0.000 2.244 76 E HA 0.272 4.624 4.350 0.003 0.000 0.266 76 E C -1.205 175.269 176.600 -0.209 0.000 0.914 76 E CA -1.272 55.043 56.400 -0.141 0.000 0.794 76 E CB 1.946 31.567 29.700 -0.132 0.000 1.210 76 E HN 0.556 nan 8.360 nan 0.000 0.414 77 K N 2.622 122.910 120.400 -0.187 0.000 2.285 77 K HA 0.214 4.535 4.320 0.003 0.000 0.286 77 K C -0.839 175.586 176.600 -0.292 0.000 1.072 77 K CA -0.313 55.838 56.287 -0.227 0.000 0.913 77 K CB 0.651 33.068 32.500 -0.138 0.000 1.067 77 K HN 0.456 nan 8.250 nan 0.000 0.479 78 K N 2.581 122.675 120.400 -0.509 0.000 2.316 78 K HA 0.289 4.611 4.320 0.003 0.000 0.234 78 K C -1.010 175.378 176.600 -0.354 0.000 1.054 78 K CA -1.203 54.791 56.287 -0.489 0.000 0.879 78 K CB 1.300 33.395 32.500 -0.675 0.000 1.252 78 K HN 0.534 nan 8.250 nan 0.000 0.471 79 N N 0.872 119.513 118.700 -0.099 0.000 2.295 79 N HA 0.371 5.113 4.740 0.003 0.000 0.293 79 N C -1.788 173.836 175.510 0.189 0.000 1.040 79 N CA -0.591 52.505 53.050 0.076 0.000 0.840 79 N CB 1.213 39.712 38.487 0.021 0.000 1.468 79 N HN 0.557 nan 8.380 nan 0.000 0.478 80 I N 2.158 122.865 120.570 0.227 0.000 2.441 80 I HA 0.532 4.704 4.170 0.003 0.000 0.295 80 I C -0.931 175.210 176.117 0.040 0.000 0.994 80 I CA -0.276 61.094 61.300 0.116 0.000 1.144 80 I CB 1.531 39.543 38.000 0.021 0.000 1.314 80 I HN 0.475 nan 8.210 nan 0.000 0.445 81 T N 5.550 120.110 114.554 0.010 0.000 2.861 81 T HA 0.398 4.750 4.350 0.003 0.000 0.287 81 T C -0.978 173.704 174.700 -0.031 0.000 1.003 81 T CA -0.637 61.460 62.100 -0.006 0.000 0.977 81 T CB 1.218 70.087 68.868 0.000 0.000 0.996 81 T HN 0.527 nan 8.240 nan 0.000 0.448 82 N N 2.543 121.221 118.700 -0.036 0.000 2.533 82 N HA 0.321 5.063 4.740 0.003 0.000 0.289 82 N C -1.709 173.779 175.510 -0.037 0.000 1.103 82 N CA -0.535 52.484 53.050 -0.052 0.000 0.877 82 N CB 1.034 39.471 38.487 -0.083 0.000 1.419 82 N HN 0.407 nan 8.380 nan 0.000 0.517 83 N N 1.966 120.646 118.700 -0.033 0.000 2.524 83 N HA 0.455 5.196 4.740 0.003 0.000 0.261 83 N C -1.851 173.641 175.510 -0.030 0.000 0.998 83 N CA -0.055 52.981 53.050 -0.023 0.000 0.915 83 N CB 0.946 39.425 38.487 -0.013 0.000 1.187 83 N HN 0.426 nan 8.380 nan 0.000 0.507 84 S N 1.599 117.278 115.700 -0.036 0.000 2.537 84 S HA 0.708 5.179 4.470 0.003 0.000 0.270 84 S C -0.397 174.166 174.600 -0.062 0.000 1.142 84 S CA -0.351 57.819 58.200 -0.050 0.000 0.870 84 S CB 1.078 64.240 63.200 -0.065 0.000 1.112 84 S HN 0.472 nan 8.310 nan 0.000 0.466 85 A N 2.064 124.841 122.820 -0.071 0.000 2.387 85 A HA 0.364 4.686 4.320 0.003 0.000 0.234 85 A C 0.079 177.564 177.584 -0.165 0.000 1.253 85 A CA 0.014 51.990 52.037 -0.101 0.000 0.894 85 A CB -0.249 18.710 19.000 -0.068 0.000 0.963 85 A HN 0.672 nan 8.150 nan 0.000 0.508 86 D N 0.932 121.241 120.400 -0.153 0.000 2.467 86 D HA 0.396 5.038 4.640 0.003 0.000 0.220 86 D C -0.568 175.599 176.300 -0.221 0.000 1.103 86 D CA -0.154 53.735 54.000 -0.185 0.000 0.886 86 D CB 0.105 40.833 40.800 -0.119 0.000 1.025 86 D HN 0.291 nan 8.370 nan 0.000 0.514 87 I N 2.869 123.193 120.570 -0.409 0.000 2.301 87 I HA 0.350 4.522 4.170 0.003 0.000 0.292 87 I C 0.592 176.580 176.117 -0.216 0.000 1.046 87 I CA -0.934 60.127 61.300 -0.399 0.000 1.282 87 I CB 1.312 38.871 38.000 -0.735 0.000 1.409 87 I HN 0.366 nan 8.210 nan 0.000 0.484 88 A N 7.150 129.981 122.820 0.018 0.000 2.362 88 A HA 0.490 4.811 4.320 0.003 0.000 0.276 88 A C 0.214 177.970 177.584 0.286 0.000 1.153 88 A CA -0.479 51.669 52.037 0.185 0.000 0.813 88 A CB 0.546 19.719 19.000 0.288 0.000 1.081 88 A HN 0.665 nan 8.150 nan 0.000 0.507 89 V N 2.265 122.386 119.914 0.345 0.000 3.385 89 V HA 0.461 4.582 4.120 0.003 0.000 0.301 89 V C 0.611 176.900 176.094 0.324 0.000 1.082 89 V CA -0.115 62.366 62.300 0.302 0.000 1.085 89 V CB 0.482 32.451 31.823 0.244 0.000 1.152 89 V HN 0.781 nan 8.190 nan 0.000 0.465 90 I N -1.227 119.354 120.570 0.018 0.000 3.557 90 I HA 0.334 4.505 4.170 0.003 0.000 0.259 90 I C 0.017 175.809 176.117 -0.542 0.000 1.108 90 I CA 0.142 61.320 61.300 -0.203 0.000 1.536 90 I CB -0.466 37.366 38.000 -0.279 0.000 1.727 90 I HN 0.584 nan 8.210 nan 0.000 0.408 91 D N 2.677 122.882 120.400 -0.324 0.000 2.325 91 D HA 0.341 4.983 4.640 0.003 0.000 0.251 91 D C 1.003 177.147 176.300 -0.261 0.000 1.196 91 D CA 0.135 53.973 54.000 -0.269 0.000 0.866 91 D CB 1.851 42.557 40.800 -0.158 0.000 1.101 91 D HN 0.237 nan 8.370 nan 0.000 0.476 92 A N 3.734 126.372 122.820 -0.303 0.000 2.125 92 A HA -0.184 4.138 4.320 0.003 0.000 0.219 92 A C 1.828 179.366 177.584 -0.076 0.000 1.156 92 A CA 1.222 53.162 52.037 -0.163 0.000 0.671 92 A CB -0.021 18.921 19.000 -0.097 0.000 0.794 92 A HN 0.424 nan 8.150 nan 0.000 0.459 93 K N -0.623 119.730 120.400 -0.078 0.000 2.166 93 K HA 0.177 4.499 4.320 0.003 0.000 0.201 93 K C 1.548 178.120 176.600 -0.047 0.000 1.052 93 K CA 0.758 57.017 56.287 -0.047 0.000 0.969 93 K CB -0.068 32.408 32.500 -0.039 0.000 0.761 93 K HN 0.322 nan 8.250 nan 0.000 0.459 94 A N 1.469 124.250 122.820 -0.065 0.000 2.281 94 A HA 0.261 4.583 4.320 0.003 0.000 0.231 94 A C 0.321 177.871 177.584 -0.057 0.000 1.317 94 A CA -0.013 51.990 52.037 -0.057 0.000 0.959 94 A CB -0.508 18.453 19.000 -0.065 0.000 0.900 94 A HN 0.222 nan 8.150 nan 0.000 0.497 95 A N 0.467 123.255 122.820 -0.054 0.000 2.280 95 A HA 0.504 4.826 4.320 0.003 0.000 0.320 95 A C 0.370 177.930 177.584 -0.040 0.000 1.366 95 A CA -0.555 51.445 52.037 -0.061 0.000 0.938 95 A CB -0.073 18.899 19.000 -0.045 0.000 1.157 95 A HN 0.247 nan 8.150 nan 0.000 0.536 96 N N 2.113 120.773 118.700 -0.067 0.000 2.380 96 N HA 0.228 4.969 4.740 0.003 0.000 0.255 96 N C -1.051 174.423 175.510 -0.061 0.000 1.158 96 N CA -0.023 53.014 53.050 -0.021 0.000 0.878 96 N CB -0.228 38.246 38.487 -0.022 0.000 1.138 96 N HN 0.517 nan 8.380 nan 0.000 0.509 97 I N 1.916 122.410 120.570 -0.127 0.000 2.378 97 I HA 0.348 4.520 4.170 0.003 0.000 0.291 97 I C -0.805 175.312 176.117 -0.001 0.000 0.992 97 I CA -0.912 60.217 61.300 -0.284 0.000 1.154 97 I CB 0.798 38.376 38.000 -0.704 0.000 1.315 97 I HN 0.088 nan 8.210 nan 0.000 0.448 98 Y N 4.553 124.805 120.300 -0.080 0.000 2.558 98 Y HA 0.696 5.248 4.550 0.003 0.000 0.333 98 Y C -3.150 172.791 175.900 0.068 0.000 1.125 98 Y CA -3.285 54.840 58.100 0.042 0.000 1.039 98 Y CB 0.865 39.361 38.460 0.062 0.000 1.331 98 Y HN 0.308 nan 8.280 nan 0.000 0.456 99 P HA 0.166 nan 4.420 nan 0.000 0.261 99 P C 0.854 178.219 177.300 0.109 0.000 1.183 99 P CA 2.615 65.814 63.100 0.165 0.000 0.761 99 P CB 0.618 32.469 31.700 0.252 0.000 0.785 100 G N 2.392 111.219 108.800 0.045 0.000 2.179 100 G HA2 -0.236 3.726 3.960 0.003 0.000 0.260 100 G HA3 -0.236 3.726 3.960 0.003 0.000 0.260 100 G C 0.457 175.290 174.900 -0.112 0.000 0.977 100 G CA -0.029 45.099 45.100 0.048 0.000 0.641 100 G HN 0.853 nan 8.290 nan 0.000 0.533 101 A N 0.208 122.739 122.820 -0.482 0.000 2.548 101 A HA 0.529 4.850 4.320 0.003 0.000 0.247 101 A C 0.619 178.030 177.584 -0.287 0.000 1.067 101 A CA 0.413 51.958 52.037 -0.820 0.000 0.757 101 A CB 0.330 18.505 19.000 -1.376 0.000 0.996 101 A HN 1.236 nan 8.150 nan 0.000 0.504 102 L N 4.405 125.536 121.223 -0.153 0.000 2.283 102 L HA 0.451 4.793 4.340 0.003 0.000 0.287 102 L C -0.825 176.021 176.870 -0.041 0.000 1.073 102 L CA -0.257 54.549 54.840 -0.057 0.000 0.822 102 L CB 0.047 42.080 42.059 -0.043 0.000 1.186 102 L HN 0.642 nan 8.230 nan 0.000 0.436 103 L N 4.732 125.930 121.223 -0.042 0.000 2.333 103 L HA 0.592 4.934 4.340 0.003 0.000 0.269 103 L C -0.109 176.747 176.870 -0.023 0.000 1.010 103 L CA -1.015 53.801 54.840 -0.041 0.000 0.818 103 L CB 1.954 43.969 42.059 -0.074 0.000 1.306 103 L HN 0.549 nan 8.230 nan 0.000 0.430 104 R N 0.845 121.337 120.500 -0.013 0.000 2.490 104 R HA 0.513 4.855 4.340 0.003 0.000 0.278 104 R C -0.208 176.061 176.300 -0.050 0.000 1.069 104 R CA -0.532 55.562 56.100 -0.010 0.000 1.080 104 R CB 0.861 31.166 30.300 0.007 0.000 1.030 104 R HN 0.706 nan 8.270 nan 0.000 0.491 105 A N 3.230 126.011 122.820 -0.065 0.000 2.774 105 A HA 0.207 4.528 4.320 0.003 0.000 0.326 105 A C -0.721 176.841 177.584 -0.036 0.000 1.478 105 A CA -0.499 51.481 52.037 -0.095 0.000 1.099 105 A CB -0.413 18.506 19.000 -0.136 0.000 1.148 105 A HN 0.779 nan 8.150 nan 0.000 0.519 106 D N 0.190 120.576 120.400 -0.023 0.000 2.798 106 D HA 0.172 4.814 4.640 0.003 0.000 0.308 106 D C 0.772 177.074 176.300 0.003 0.000 1.187 106 D CA -0.566 53.432 54.000 -0.003 0.000 1.033 106 D CB 0.144 40.944 40.800 -0.001 0.000 1.445 106 D HN 0.043 nan 8.370 nan 0.000 0.550 107 Q N -0.194 119.611 119.800 0.008 0.000 2.197 107 Q HA -0.152 4.189 4.340 0.003 0.000 0.207 107 Q C 1.169 177.173 176.000 0.007 0.000 0.984 107 Q CA 1.944 57.753 55.803 0.010 0.000 0.869 107 Q CB -0.381 28.363 28.738 0.010 0.000 0.906 107 Q HN 0.412 nan 8.270 nan 0.000 0.426 108 N N -0.186 118.517 118.700 0.004 0.000 2.058 108 N HA -0.157 4.584 4.740 0.003 0.000 0.191 108 N C 1.526 177.040 175.510 0.007 0.000 1.037 108 N CA 1.388 54.440 53.050 0.003 0.000 0.848 108 N CB -0.581 37.906 38.487 0.001 0.000 1.021 108 N HN 0.337 nan 8.380 nan 0.000 0.422 109 L N 0.848 122.072 121.223 0.001 0.000 2.079 109 L HA -0.052 4.290 4.340 0.003 0.000 0.210 109 L C 1.954 178.832 176.870 0.013 0.000 1.081 109 L CA 1.258 56.100 54.840 0.005 0.000 0.752 109 L CB -0.745 41.296 42.059 -0.031 0.000 0.896 109 L HN 0.109 nan 8.230 nan 0.000 0.433 110 L N -0.464 120.763 121.223 0.007 0.000 2.093 110 L HA -0.110 4.232 4.340 0.003 0.000 0.208 110 L C 1.192 178.072 176.870 0.016 0.000 1.085 110 L CA 1.669 56.515 54.840 0.011 0.000 0.755 110 L CB -0.819 41.249 42.059 0.015 0.000 0.904 110 L HN 0.294 nan 8.230 nan 0.000 0.435 111 D N -0.134 120.276 120.400 0.017 0.000 2.434 111 D HA 0.030 4.672 4.640 0.003 0.000 0.232 111 D C 0.552 176.867 176.300 0.026 0.000 1.166 111 D CA 0.098 54.108 54.000 0.017 0.000 0.830 111 D CB -0.423 40.382 40.800 0.008 0.000 0.960 111 D HN 0.276 nan 8.370 nan 0.000 0.497 112 N N 1.253 119.981 118.700 0.046 0.000 2.693 112 N HA -0.251 4.491 4.740 0.003 0.000 0.249 112 N C -0.671 174.873 175.510 0.058 0.000 1.119 112 N CA 0.440 53.542 53.050 0.087 0.000 0.717 112 N CB -1.190 37.349 38.487 0.087 0.000 1.071 112 N HN 0.156 nan 8.380 nan 0.000 0.555 113 N N -0.420 118.298 118.700 0.030 0.000 2.703 113 N HA 0.383 5.124 4.740 0.003 0.000 0.283 113 N C -2.888 172.622 175.510 0.001 0.000 1.851 113 N CA -1.446 51.607 53.050 0.005 0.000 0.826 113 N CB 0.931 39.416 38.487 -0.004 0.000 1.239 113 N HN 0.109 nan 8.380 nan 0.000 0.495 114 P HA 0.154 nan 4.420 nan 0.000 0.271 114 P C -0.552 176.740 177.300 -0.013 0.000 1.244 114 P CA 0.040 63.135 63.100 -0.009 0.000 0.793 114 P CB 0.619 32.307 31.700 -0.020 0.000 0.984 115 T N 1.394 115.943 114.554 -0.009 0.000 2.771 115 T HA 0.407 4.759 4.350 0.003 0.000 0.281 115 T C -0.092 174.611 174.700 0.006 0.000 0.982 115 T CA -0.493 61.608 62.100 0.002 0.000 0.978 115 T CB 0.259 69.132 68.868 0.009 0.000 0.930 115 T HN 0.237 nan 8.240 nan 0.000 0.447 116 L N 4.324 125.558 121.223 0.019 0.000 2.349 116 L HA 0.521 4.863 4.340 0.003 0.000 0.275 116 L C -0.493 176.408 176.870 0.051 0.000 1.115 116 L CA -0.617 54.244 54.840 0.035 0.000 0.820 116 L CB 0.437 42.539 42.059 0.072 0.000 1.135 116 L HN 0.642 nan 8.230 nan 0.000 0.445 117 I N 4.413 125.018 120.570 0.060 0.000 2.313 117 I HA 0.093 4.265 4.170 0.003 0.000 0.286 117 I C 0.312 176.487 176.117 0.097 0.000 1.091 117 I CA -0.312 61.038 61.300 0.083 0.000 1.216 117 I CB 0.792 38.856 38.000 0.108 0.000 1.434 117 I HN 0.606 nan 8.210 nan 0.000 0.487 118 S N 7.108 122.861 115.700 0.089 0.000 3.530 118 S HA 0.418 4.889 4.470 0.003 0.000 0.279 118 S C -0.261 174.395 174.600 0.093 0.000 1.280 118 S CA -0.455 57.799 58.200 0.090 0.000 0.946 118 S CB 0.200 63.442 63.200 0.071 0.000 1.501 118 S HN 0.570 nan 8.310 nan 0.000 0.498 119 I N 1.293 121.933 120.570 0.117 0.000 3.067 119 I HA 0.679 4.850 4.170 0.003 0.000 0.312 119 I C 0.070 176.266 176.117 0.131 0.000 1.073 119 I CA -1.631 59.750 61.300 0.135 0.000 1.016 119 I CB 1.840 39.964 38.000 0.207 0.000 1.227 119 I HN 0.550 nan 8.210 nan 0.000 0.456 120 A N 5.188 128.086 122.820 0.129 0.000 2.524 120 A HA 0.148 4.469 4.320 0.003 0.000 0.271 120 A C -0.154 177.513 177.584 0.139 0.000 1.097 120 A CA 0.070 52.176 52.037 0.115 0.000 0.791 120 A CB -0.462 18.598 19.000 0.100 0.000 1.028 120 A HN 0.507 nan 8.150 nan 0.000 0.518 121 R N 2.076 122.633 120.500 0.095 0.000 2.410 121 R HA 0.433 4.775 4.340 0.003 0.000 0.288 121 R C 0.636 176.967 176.300 0.052 0.000 1.051 121 R CA 0.034 56.172 56.100 0.063 0.000 1.021 121 R CB 1.159 31.489 30.300 0.049 0.000 1.032 121 R HN 0.731 nan 8.270 nan 0.000 0.481 122 G N 1.557 110.371 108.800 0.023 0.000 2.372 122 G HA2 0.153 4.114 3.960 0.003 0.000 0.283 122 G HA3 0.153 4.114 3.960 0.003 0.000 0.283 122 G C -0.619 174.281 174.900 -0.000 0.000 1.177 122 G CA -0.498 44.614 45.100 0.020 0.000 0.842 122 G HN 0.387 nan 8.290 nan 0.000 0.503 123 D N 0.581 120.988 120.400 0.012 0.000 2.531 123 D HA 0.250 4.892 4.640 0.003 0.000 0.239 123 D C 0.376 176.675 176.300 -0.002 0.000 1.144 123 D CA 0.664 54.670 54.000 0.011 0.000 0.869 123 D CB 1.031 41.840 40.800 0.015 0.000 1.160 123 D HN 0.263 nan 8.370 nan 0.000 0.484 124 L N -0.419 120.807 121.223 0.005 0.000 2.376 124 L HA 0.630 4.972 4.340 0.003 0.000 0.258 124 L C -0.055 176.831 176.870 0.026 0.000 1.013 124 L CA -0.904 53.935 54.840 -0.001 0.000 0.822 124 L CB 1.120 43.165 42.059 -0.024 0.000 1.388 124 L HN -0.017 nan 8.230 nan 0.000 0.413 125 T N 2.472 117.044 114.554 0.031 0.000 2.799 125 T HA 0.753 5.104 4.350 0.003 0.000 0.286 125 T C -0.426 174.327 174.700 0.089 0.000 0.973 125 T CA -0.157 61.978 62.100 0.058 0.000 1.035 125 T CB 0.958 69.856 68.868 0.049 0.000 0.932 125 T HN 0.338 nan 8.240 nan 0.000 0.469 126 L N 3.006 124.294 121.223 0.109 0.000 2.330 126 L HA 0.721 5.063 4.340 0.003 0.000 0.271 126 L C 0.367 177.327 176.870 0.149 0.000 1.013 126 L CA -0.340 54.575 54.840 0.125 0.000 0.816 126 L CB 1.970 44.098 42.059 0.114 0.000 1.287 126 L HN 0.827 nan 8.230 nan 0.000 0.435 127 S N 1.465 117.248 115.700 0.140 0.000 2.570 127 S HA 0.774 5.245 4.470 0.003 0.000 0.286 127 S C -1.167 173.465 174.600 0.054 0.000 1.099 127 S CA -0.763 57.493 58.200 0.093 0.000 0.913 127 S CB 1.843 65.126 63.200 0.139 0.000 1.085 127 S HN 0.403 nan 8.310 nan 0.000 0.480 128 L N 2.987 124.211 121.223 0.002 0.000 2.301 128 L HA 0.585 4.927 4.340 0.003 0.000 0.278 128 L C -0.578 176.243 176.870 -0.081 0.000 1.022 128 L CA -0.379 54.438 54.840 -0.038 0.000 0.854 128 L CB 0.517 42.504 42.059 -0.120 0.000 1.226 128 L HN 0.898 nan 8.230 nan 0.000 0.429 129 N N 4.292 122.978 118.700 -0.024 0.000 2.479 129 N HA 0.550 5.291 4.740 0.003 0.000 0.285 129 N C -1.251 174.218 175.510 -0.068 0.000 1.075 129 N CA -0.134 52.897 53.050 -0.031 0.000 0.967 129 N CB 0.891 39.391 38.487 0.021 0.000 1.137 129 N HN 0.509 nan 8.380 nan 0.000 0.472 130 L N 4.856 126.010 121.223 -0.116 0.000 2.333 130 L HA 0.584 4.925 4.340 0.003 0.000 0.269 130 L C -1.076 175.772 176.870 -0.037 0.000 1.010 130 L CA -1.703 53.070 54.840 -0.112 0.000 0.818 130 L CB 1.560 43.461 42.059 -0.264 0.000 1.306 130 L HN 0.517 nan 8.230 nan 0.000 0.430 131 P HA -0.145 nan 4.420 nan 0.000 0.212 131 P C 0.496 177.799 177.300 0.005 0.000 1.174 131 P CA 1.703 64.802 63.100 -0.002 0.000 0.934 131 P CB 0.247 31.952 31.700 0.010 0.000 0.791 132 G N -0.585 108.225 108.800 0.017 0.000 4.885 132 G HA2 0.326 4.287 3.960 0.003 0.000 0.263 132 G HA3 0.326 4.287 3.960 0.003 0.000 0.263 132 G C 0.020 174.939 174.900 0.031 0.000 1.168 132 G CA -0.176 44.939 45.100 0.025 0.000 0.906 132 G HN 0.055 nan 8.290 nan 0.000 0.575 133 L N 1.652 122.886 121.223 0.018 0.000 2.934 133 L HA 0.396 4.738 4.340 0.003 0.000 0.233 133 L C 1.636 178.530 176.870 0.040 0.000 1.358 133 L CA 0.784 55.636 54.840 0.019 0.000 1.233 133 L CB -1.326 40.731 42.059 -0.004 0.000 1.594 133 L HN 0.515 nan 8.230 nan 0.000 0.439 134 A N 1.752 124.593 122.820 0.035 0.000 5.324 134 A HA -0.332 3.990 4.320 0.003 0.000 0.337 134 A C 0.860 178.470 177.584 0.043 0.000 1.730 134 A CA 1.953 54.011 52.037 0.035 0.000 0.711 134 A CB -0.966 18.051 19.000 0.028 0.000 1.434 134 A HN 0.590 nan 8.150 nan 0.000 0.400 135 N N 0.845 119.570 118.700 0.042 0.000 3.194 135 N HA 0.477 5.219 4.740 0.003 0.000 0.271 135 N C 0.679 176.228 175.510 0.064 0.000 1.308 135 N CA 0.794 53.874 53.050 0.051 0.000 1.042 135 N CB 0.386 38.896 38.487 0.038 0.000 1.310 135 N HN 0.851 nan 8.380 nan 0.000 0.502 136 G N 0.205 109.083 108.800 0.130 0.000 2.682 136 G HA2 -0.088 3.874 3.960 0.003 0.000 0.221 136 G HA3 -0.088 3.874 3.960 0.003 0.000 0.221 136 G C 0.101 175.115 174.900 0.190 0.000 1.386 136 G CA -0.030 45.228 45.100 0.264 0.000 0.909 136 G HN 0.437 nan 8.290 nan 0.000 0.558 137 D N 0.032 120.540 120.400 0.179 0.000 2.740 137 D HA -0.168 4.474 4.640 0.003 0.000 0.231 137 D C 0.393 176.511 176.300 -0.305 0.000 1.194 137 D CA 0.771 54.746 54.000 -0.042 0.000 0.673 137 D CB -1.342 39.434 40.800 -0.041 0.000 0.995 137 D HN 0.234 nan 8.370 nan 0.000 0.411 138 S N 0.957 116.683 115.700 0.042 0.000 2.537 138 S HA 0.085 4.556 4.470 0.003 0.000 0.286 138 S C -0.105 174.365 174.600 -0.218 0.000 1.299 138 S CA -0.250 57.931 58.200 -0.033 0.000 1.067 138 S CB 0.346 63.721 63.200 0.293 0.000 0.864 138 S HN 0.339 nan 8.310 nan 0.000 0.494 139 H N 2.667 121.795 119.070 0.097 0.000 2.529 139 H HA 0.580 5.137 4.556 0.003 0.000 0.348 139 H C -0.060 175.302 175.328 0.057 0.000 1.152 139 H CA -0.555 55.537 56.048 0.074 0.000 1.202 139 H CB 1.686 31.480 29.762 0.052 0.000 1.562 139 H HN 0.722 nan 8.280 nan 0.000 0.515 140 T N -1.017 113.641 114.554 0.173 0.000 2.932 140 T HA 0.353 4.704 4.350 0.003 0.000 0.318 140 T C -0.333 174.420 174.700 0.087 0.000 1.265 140 T CA -0.863 61.301 62.100 0.106 0.000 1.036 140 T CB 1.182 70.097 68.868 0.078 0.000 1.209 140 T HN 0.226 nan 8.240 nan 0.000 0.484 141 V N 1.754 121.705 119.914 0.061 0.000 2.686 141 V HA 0.617 4.738 4.120 0.003 0.000 0.295 141 V C -0.156 175.964 176.094 0.043 0.000 1.057 141 V CA -0.613 61.715 62.300 0.047 0.000 1.012 141 V CB 1.531 33.374 31.823 0.032 0.000 1.006 141 V HN 0.839 nan 8.190 nan 0.000 0.477 142 V N 4.432 124.370 119.914 0.041 0.000 2.443 142 V HA 0.399 4.520 4.120 0.003 0.000 0.293 142 V C -0.368 175.746 176.094 0.033 0.000 1.021 142 V CA -0.925 61.400 62.300 0.041 0.000 0.848 142 V CB 1.809 33.665 31.823 0.055 0.000 0.998 142 V HN 1.055 nan 8.190 nan 0.000 0.424 143 N N 2.129 120.846 118.700 0.028 0.000 2.508 143 N HA 0.242 4.983 4.740 0.003 0.000 0.285 143 N C 0.128 175.655 175.510 0.028 0.000 1.144 143 N CA -0.511 52.554 53.050 0.025 0.000 0.978 143 N CB 1.300 39.799 38.487 0.021 0.000 1.180 143 N HN 0.492 nan 8.380 nan 0.000 0.484 144 S N -0.323 115.395 115.700 0.030 0.000 3.280 144 S HA -0.118 4.353 4.470 0.003 0.000 0.349 144 S C -2.352 172.273 174.600 0.041 0.000 0.936 144 S CA -0.055 58.166 58.200 0.035 0.000 1.301 144 S CB -1.793 61.424 63.200 0.029 0.000 0.907 144 S HN 0.684 nan 8.310 nan 0.000 0.516 145 P HA 0.200 nan 4.420 nan 0.000 0.261 145 P C 0.382 177.741 177.300 0.099 0.000 1.173 145 P CA 0.701 63.849 63.100 0.081 0.000 0.760 145 P CB 0.702 32.453 31.700 0.086 0.000 0.783 146 T N 1.501 116.099 114.554 0.074 0.000 2.722 146 T HA 0.189 4.540 4.350 0.003 0.000 0.314 146 T C 1.071 175.613 174.700 -0.263 0.000 1.675 146 T CA -0.731 61.352 62.100 -0.029 0.000 1.003 146 T CB 0.730 69.577 68.868 -0.035 0.000 1.602 146 T HN 0.232 nan 8.240 nan 0.000 0.496 147 R N 0.669 120.801 120.500 -0.614 0.000 2.113 147 R HA -0.113 4.229 4.340 0.003 0.000 0.244 147 R C 2.454 178.591 176.300 -0.272 0.000 1.142 147 R CA 2.154 57.854 56.100 -0.668 0.000 0.953 147 R CB -0.813 29.151 30.300 -0.560 0.000 0.860 147 R HN 0.551 nan 8.270 nan 0.000 0.438 148 S N -0.333 115.264 115.700 -0.173 0.000 2.343 148 S HA -0.147 4.325 4.470 0.003 0.000 0.219 148 S C 1.874 176.438 174.600 -0.061 0.000 1.033 148 S CA 1.939 60.084 58.200 -0.092 0.000 1.014 148 S CB -0.273 62.888 63.200 -0.064 0.000 0.915 148 S HN 0.363 nan 8.310 nan 0.000 0.435 149 T N 1.990 116.516 114.554 -0.046 0.000 2.652 149 T HA -0.090 4.261 4.350 0.003 0.000 0.267 149 T C 1.889 176.589 174.700 -0.000 0.000 1.039 149 T CA 1.647 63.739 62.100 -0.013 0.000 1.153 149 T CB -0.753 68.118 68.868 0.005 0.000 0.863 149 T HN 0.266 nan 8.240 nan 0.000 0.428 150 V N 1.916 121.834 119.914 0.006 0.000 2.282 150 V HA -0.252 3.869 4.120 0.003 0.000 0.249 150 V C 2.661 178.765 176.094 0.018 0.000 1.057 150 V CA 2.174 64.503 62.300 0.048 0.000 1.032 150 V CB -0.729 31.168 31.823 0.123 0.000 0.645 150 V HN 0.429 nan 8.190 nan 0.000 0.447 151 R N -0.137 120.350 120.500 -0.021 0.000 2.103 151 R HA -0.218 4.124 4.340 0.003 0.000 0.242 151 R C 2.232 178.516 176.300 -0.027 0.000 1.142 151 R CA 2.357 58.439 56.100 -0.029 0.000 0.960 151 R CB -0.609 29.664 30.300 -0.045 0.000 0.858 151 R HN 0.549 nan 8.270 nan 0.000 0.439 152 T N -0.267 114.275 114.554 -0.020 0.000 2.737 152 T HA -0.050 4.301 4.350 0.003 0.000 0.265 152 T C 1.707 176.403 174.700 -0.006 0.000 1.038 152 T CA 1.329 63.421 62.100 -0.014 0.000 1.144 152 T CB -0.559 68.304 68.868 -0.009 0.000 0.866 152 T HN 0.613 nan 8.240 nan 0.000 0.434 153 G N 1.351 110.154 108.800 0.006 0.000 2.480 153 G HA2 -0.202 3.760 3.960 0.003 0.000 0.216 153 G HA3 -0.202 3.760 3.960 0.003 0.000 0.216 153 G C 1.700 176.603 174.900 0.004 0.000 1.200 153 G CA 1.045 46.155 45.100 0.017 0.000 0.782 153 G HN 0.424 nan 8.290 nan 0.000 0.554 154 V N 1.580 121.487 119.914 -0.013 0.000 2.453 154 V HA -0.241 3.880 4.120 0.003 0.000 0.252 154 V C 2.693 178.734 176.094 -0.088 0.000 1.068 154 V CA 2.025 64.284 62.300 -0.069 0.000 1.070 154 V CB -0.589 31.174 31.823 -0.101 0.000 0.664 154 V HN 0.304 nan 8.190 nan 0.000 0.461 155 N N 1.424 120.090 118.700 -0.056 0.000 2.058 155 N HA -0.153 4.588 4.740 0.003 0.000 0.191 155 N C 1.659 177.155 175.510 -0.023 0.000 1.037 155 N CA 1.859 54.880 53.050 -0.048 0.000 0.848 155 N CB -0.685 37.782 38.487 -0.033 0.000 1.021 155 N HN 0.819 nan 8.380 nan 0.000 0.422 156 N N 0.834 119.531 118.700 -0.006 0.000 2.244 156 N HA -0.088 4.654 4.740 0.003 0.000 0.183 156 N C 1.648 177.180 175.510 0.037 0.000 1.016 156 N CA 0.827 53.882 53.050 0.009 0.000 0.866 156 N CB -0.702 37.790 38.487 0.009 0.000 0.980 156 N HN 0.235 nan 8.380 nan 0.000 0.430 157 L N 0.150 121.405 121.223 0.054 0.000 1.948 157 L HA -0.074 4.267 4.340 0.003 0.000 0.212 157 L C 2.417 179.455 176.870 0.279 0.000 1.074 157 L CA 1.167 56.105 54.840 0.163 0.000 0.753 157 L CB -0.736 41.382 42.059 0.098 0.000 0.888 157 L HN 0.156 nan 8.230 nan 0.000 0.432 158 L N -0.053 121.191 121.223 0.035 0.000 2.129 158 L HA -0.253 4.088 4.340 0.003 0.000 0.212 158 L C 2.894 179.811 176.870 0.078 0.000 1.087 158 L CA 1.625 56.443 54.840 -0.037 0.000 0.757 158 L CB -0.704 41.215 42.059 -0.233 0.000 0.896 158 L HN 0.483 nan 8.230 nan 0.000 0.434 159 S N -0.318 115.410 115.700 0.048 0.000 2.371 159 S HA -0.247 4.225 4.470 0.003 0.000 0.224 159 S C 2.011 176.642 174.600 0.052 0.000 1.029 159 S CA 1.119 59.340 58.200 0.035 0.000 0.978 159 S CB -0.306 62.898 63.200 0.008 0.000 0.833 159 S HN 0.372 nan 8.310 nan 0.000 0.466 160 K N -0.367 120.062 120.400 0.048 0.000 2.209 160 K HA -0.077 4.244 4.320 0.003 0.000 0.204 160 K C 1.580 178.136 176.600 -0.074 0.000 1.048 160 K CA 1.192 57.456 56.287 -0.038 0.000 0.940 160 K CB -0.202 32.237 32.500 -0.102 0.000 0.729 160 K HN 0.567 nan 8.250 nan 0.000 0.451 161 W N 1.070 122.352 121.300 -0.030 0.000 2.488 161 W HA 0.011 4.672 4.660 0.002 0.000 0.304 161 W C 1.865 178.435 176.519 0.086 0.000 1.175 161 W CA 0.435 57.788 57.345 0.014 0.000 1.365 161 W CB -0.341 29.103 29.460 -0.027 0.000 1.131 161 W HN 0.083 nan 8.180 nan 0.000 0.520 162 N N 0.258 119.114 118.700 0.260 0.000 2.396 162 N HA -0.156 4.585 4.740 0.003 0.000 0.180 162 N C 1.276 176.833 175.510 0.079 0.000 1.028 162 N CA 1.065 54.199 53.050 0.140 0.000 0.893 162 N CB -0.846 37.674 38.487 0.054 0.000 0.967 162 N HN 0.115 nan 8.380 nan 0.000 0.440 163 N N 0.197 118.935 118.700 0.063 0.000 2.137 163 N HA -0.101 4.641 4.740 0.003 0.000 0.190 163 N C 0.946 176.471 175.510 0.023 0.000 1.017 163 N CA 1.642 54.707 53.050 0.026 0.000 0.859 163 N CB -0.002 38.488 38.487 0.005 0.000 1.002 163 N HN 0.159 nan 8.380 nan 0.000 0.428 164 T N -2.146 112.434 114.554 0.044 0.000 3.176 164 T HA 0.071 4.423 4.350 0.003 0.000 0.259 164 T C -0.311 174.442 174.700 0.088 0.000 0.978 164 T CA -0.410 61.715 62.100 0.042 0.000 1.050 164 T CB -0.174 68.704 68.868 0.017 0.000 1.136 164 T HN 0.175 nan 8.240 nan 0.000 0.465 165 Y N 3.526 123.834 120.300 0.013 0.000 2.712 165 Y HA 0.405 4.957 4.550 0.003 0.000 0.333 165 Y C 0.521 176.460 175.900 0.065 0.000 1.225 165 Y CA -1.450 56.682 58.100 0.053 0.000 1.499 165 Y CB 0.225 38.759 38.460 0.123 0.000 1.288 165 Y HN 0.192 nan 8.280 nan 0.000 0.575 166 A N 5.149 127.597 122.820 -0.620 0.000 3.048 166 A HA 0.426 4.747 4.320 0.003 0.000 0.264 166 A C 0.897 177.928 177.584 -0.922 0.000 1.796 166 A CA 0.422 52.120 52.037 -0.566 0.000 1.445 166 A CB -1.430 17.395 19.000 -0.292 0.000 1.074 166 A HN 1.163 nan 8.150 nan 0.000 0.621 167 G N 0.678 109.002 108.800 -0.794 0.000 4.867 167 G HA2 0.330 4.291 3.960 0.003 0.000 0.258 167 G HA3 0.330 4.291 3.960 0.003 0.000 0.258 167 G C 0.451 175.286 174.900 -0.108 0.000 0.999 167 G CA 0.338 45.194 45.100 -0.407 0.000 0.797 167 G HN 0.693 nan 8.290 nan 0.000 0.505 168 E N -0.199 119.936 120.200 -0.109 0.000 2.004 168 E HA -0.045 4.307 4.350 0.003 0.000 0.192 168 E C -0.095 176.393 176.600 -0.187 0.000 0.987 168 E CA 0.363 56.701 56.400 -0.103 0.000 0.822 168 E CB -0.135 29.555 29.700 -0.017 0.000 0.779 168 E HN 0.288 nan 8.360 nan 0.000 0.458 169 Y N 1.867 122.102 120.300 -0.109 0.000 2.714 169 Y HA 0.444 4.995 4.550 0.003 0.000 0.333 169 Y C 0.425 176.275 175.900 -0.082 0.000 1.220 169 Y CA 0.677 58.709 58.100 -0.115 0.000 1.513 169 Y CB 0.888 39.271 38.460 -0.127 0.000 1.435 169 Y HN 0.505 nan 8.280 nan 0.000 0.489 170 G N 2.534 111.333 108.800 -0.002 0.000 2.629 170 G HA2 -0.129 3.833 3.960 0.003 0.000 0.686 170 G HA3 -0.129 3.833 3.960 0.003 0.000 0.686 170 G C -1.177 173.779 174.900 0.094 0.000 1.232 170 G CA -0.926 44.226 45.100 0.085 0.000 0.803 170 G HN 0.691 nan 8.290 nan 0.000 0.638 171 N N 0.610 119.416 118.700 0.176 0.000 2.751 171 N HA 0.443 5.184 4.740 0.003 0.000 0.238 171 N C 0.685 176.303 175.510 0.181 0.000 1.351 171 N CA 0.578 53.744 53.050 0.194 0.000 0.751 171 N CB 0.654 39.294 38.487 0.254 0.000 1.342 171 N HN 1.388 nan 8.380 nan 0.000 0.540 172 T N 0.392 115.032 114.554 0.143 0.000 13.818 172 T HA -0.358 3.993 4.350 0.003 0.000 0.419 172 T C 0.152 174.914 174.700 0.103 0.000 1.441 172 T CA 1.712 63.881 62.100 0.116 0.000 2.343 172 T CB -0.887 68.052 68.868 0.119 0.000 2.777 172 T HN 0.707 nan 8.240 nan 0.000 0.432 173 Q N 1.839 121.691 119.800 0.088 0.000 2.558 173 Q HA 0.607 4.948 4.340 0.003 0.000 0.252 173 Q C -0.334 175.688 176.000 0.037 0.000 1.015 173 Q CA -0.113 55.727 55.803 0.062 0.000 0.720 173 Q CB 1.029 29.793 28.738 0.043 0.000 1.215 173 Q HN 0.896 nan 8.270 nan 0.000 0.500 174 A N 2.970 125.807 122.820 0.028 0.000 2.536 174 A HA 0.027 4.348 4.320 0.003 0.000 0.234 174 A C 0.155 177.676 177.584 -0.105 0.000 1.076 174 A CA 0.104 52.111 52.037 -0.050 0.000 0.769 174 A CB 0.284 19.156 19.000 -0.213 0.000 1.020 174 A HN 0.719 nan 8.150 nan 0.000 0.508 175 E N 0.928 121.053 120.200 -0.126 0.000 2.292 175 E HA 0.111 4.463 4.350 0.003 0.000 0.265 175 E C -0.693 175.780 176.600 -0.211 0.000 1.093 175 E CA 0.354 56.675 56.400 -0.131 0.000 0.922 175 E CB 0.275 29.910 29.700 -0.108 0.000 1.001 175 E HN 0.460 nan 8.360 nan 0.000 0.444 176 L N 3.761 124.869 121.223 -0.193 0.000 2.295 176 L HA 0.160 4.502 4.340 0.003 0.000 0.288 176 L C 0.774 177.499 176.870 -0.242 0.000 1.079 176 L CA -0.045 54.617 54.840 -0.297 0.000 0.830 176 L CB 0.334 42.284 42.059 -0.182 0.000 1.200 176 L HN 0.287 nan 8.230 nan 0.000 0.438 177 Q N 3.601 123.207 119.800 -0.323 0.000 2.465 177 Q HA 0.176 4.518 4.340 0.003 0.000 0.237 177 Q C -1.383 174.509 176.000 -0.179 0.000 1.051 177 Q CA -0.596 55.085 55.803 -0.203 0.000 0.874 177 Q CB 0.673 29.292 28.738 -0.198 0.000 1.207 177 Q HN 0.518 nan 8.270 nan 0.000 0.508 178 Y N 3.781 123.980 120.300 -0.169 0.000 2.367 178 Y HA 0.255 4.806 4.550 0.002 0.000 0.342 178 Y C -1.017 174.872 175.900 -0.018 0.000 0.979 178 Y CA -0.478 57.584 58.100 -0.063 0.000 1.161 178 Y CB 0.945 39.419 38.460 0.024 0.000 1.155 178 Y HN 0.478 nan 8.280 nan 0.000 0.503 179 D N 5.643 125.805 120.400 -0.397 0.000 2.404 179 D HA 0.119 4.761 4.640 0.003 0.000 0.267 179 D C -0.718 175.401 176.300 -0.301 0.000 1.194 179 D CA -0.396 53.449 54.000 -0.258 0.000 0.910 179 D CB 0.897 41.633 40.800 -0.105 0.000 1.090 179 D HN 0.693 nan 8.370 nan 0.000 0.511 180 E N 0.002 119.983 120.200 -0.365 0.000 2.283 180 E HA 0.709 5.060 4.350 0.003 0.000 0.267 180 E C -0.356 176.233 176.600 -0.019 0.000 1.045 180 E CA -0.776 55.517 56.400 -0.178 0.000 0.884 180 E CB 1.720 31.407 29.700 -0.022 0.000 1.106 180 E HN 0.001 nan 8.360 nan 0.000 0.408 181 T N 2.014 116.599 114.554 0.051 0.000 3.559 181 T HA 0.261 4.612 4.350 0.003 0.000 0.391 181 T C -1.111 173.628 174.700 0.065 0.000 1.522 181 T CA -0.921 61.208 62.100 0.047 0.000 1.159 181 T CB 0.239 69.080 68.868 -0.045 0.000 1.384 181 T HN 0.446 nan 8.240 nan 0.000 0.475 182 M N 3.274 122.929 119.600 0.092 0.000 2.239 182 M HA 0.427 4.909 4.480 0.003 0.000 0.348 182 M C 0.826 177.020 176.300 -0.176 0.000 1.239 182 M CA -0.207 55.087 55.300 -0.009 0.000 1.114 182 M CB 0.078 32.730 32.600 0.087 0.000 1.641 182 M HN 0.816 nan 8.290 nan 0.000 0.453 183 A N 3.949 126.573 122.820 -0.327 0.000 2.320 183 A HA 0.473 4.794 4.320 0.003 0.000 0.287 183 A C -0.369 176.943 177.584 -0.454 0.000 1.181 183 A CA -0.187 51.692 52.037 -0.264 0.000 0.831 183 A CB 0.051 18.897 19.000 -0.257 0.000 1.102 183 A HN 0.891 nan 8.150 nan 0.000 0.513 184 Y N 1.174 121.593 120.300 0.199 0.000 2.524 184 Y HA 0.302 4.853 4.550 0.002 0.000 0.276 184 Y C 0.953 177.100 175.900 0.411 0.000 1.155 184 Y CA 0.643 58.920 58.100 0.295 0.000 1.165 184 Y CB 0.753 39.397 38.460 0.306 0.000 1.306 184 Y HN 0.619 nan 8.280 nan 0.000 0.522 185 S N -0.156 115.805 115.700 0.436 0.000 2.572 185 S HA 0.297 4.768 4.470 0.003 0.000 0.274 185 S C 0.384 174.943 174.600 -0.067 0.000 1.150 185 S CA -0.597 57.657 58.200 0.090 0.000 0.944 185 S CB 1.178 64.449 63.200 0.119 0.000 1.071 185 S HN 0.278 nan 8.310 nan 0.000 0.479 186 M N 5.058 124.302 119.600 -0.593 0.000 2.144 186 M HA -0.084 4.397 4.480 0.003 0.000 0.260 186 M C 1.974 178.228 176.300 -0.077 0.000 1.067 186 M CA 3.018 58.137 55.300 -0.301 0.000 1.095 186 M CB -1.039 31.304 32.600 -0.429 0.000 1.365 186 M HN 0.796 nan 8.290 nan 0.000 0.406 187 S N -0.007 115.637 115.700 -0.093 0.000 2.355 187 S HA -0.239 4.232 4.470 0.003 0.000 0.222 187 S C 1.784 176.367 174.600 -0.028 0.000 1.031 187 S CA 1.193 59.373 58.200 -0.033 0.000 0.993 187 S CB -1.101 62.092 63.200 -0.012 0.000 0.859 187 S HN 0.760 nan 8.310 nan 0.000 0.453 188 Q N 1.725 121.496 119.800 -0.048 0.000 2.170 188 Q HA 0.081 4.423 4.340 0.003 0.000 0.203 188 Q C 2.024 177.937 176.000 -0.146 0.000 0.976 188 Q CA 1.459 57.182 55.803 -0.133 0.000 0.858 188 Q CB -0.967 27.556 28.738 -0.359 0.000 0.907 188 Q HN 0.574 nan 8.270 nan 0.000 0.433 189 L N -0.018 121.153 121.223 -0.085 0.000 2.093 189 L HA -0.083 4.258 4.340 0.003 0.000 0.208 189 L C 2.380 179.211 176.870 -0.064 0.000 1.085 189 L CA 1.149 55.916 54.840 -0.122 0.000 0.755 189 L CB -0.459 41.498 42.059 -0.170 0.000 0.904 189 L HN 0.200 nan 8.230 nan 0.000 0.435 190 K N -0.435 119.966 120.400 0.001 0.000 2.280 190 K HA -0.097 4.224 4.320 0.003 0.000 0.202 190 K C 1.957 178.562 176.600 0.008 0.000 1.047 190 K CA 1.357 57.673 56.287 0.049 0.000 0.942 190 K CB -0.236 32.287 32.500 0.039 0.000 0.739 190 K HN 0.346 nan 8.250 nan 0.000 0.457 191 T N 0.522 115.046 114.554 -0.049 0.000 2.976 191 T HA -0.038 4.313 4.350 0.003 0.000 0.257 191 T C 1.806 176.412 174.700 -0.158 0.000 1.051 191 T CA 0.861 62.915 62.100 -0.076 0.000 1.141 191 T CB 0.086 68.912 68.868 -0.071 0.000 0.881 191 T HN 0.045 nan 8.240 nan 0.000 0.461 192 K N 0.441 120.675 120.400 -0.277 0.000 2.217 192 K HA 0.119 4.440 4.320 0.003 0.000 0.202 192 K C 0.864 176.977 176.600 -0.812 0.000 1.051 192 K CA 1.259 57.193 56.287 -0.588 0.000 0.952 192 K CB -0.154 31.865 32.500 -0.802 0.000 0.736 192 K HN 0.407 nan 8.250 nan 0.000 0.453 193 F N -2.225 117.670 119.950 -0.092 0.000 2.784 193 F HA 0.392 4.921 4.527 0.003 0.000 0.316 193 F C 1.049 176.882 175.800 0.054 0.000 1.026 193 F CA 0.104 58.123 58.000 0.031 0.000 1.188 193 F CB 1.236 40.307 39.000 0.118 0.000 0.999 193 F HN 0.107 nan 8.300 nan 0.000 0.605 194 G N 0.184 109.087 108.800 0.172 0.000 2.306 194 G HA2 -0.061 3.901 3.960 0.003 0.000 0.262 194 G HA3 -0.061 3.901 3.960 0.003 0.000 0.262 194 G C -0.218 174.746 174.900 0.108 0.000 1.263 194 G CA -0.235 44.930 45.100 0.108 0.000 1.088 194 G HN 0.009 nan 8.290 nan 0.000 0.489 195 T N -0.373 114.222 114.554 0.069 0.000 3.287 195 T HA 0.546 4.897 4.350 0.003 0.000 0.253 195 T C 1.242 175.956 174.700 0.023 0.000 0.975 195 T CA 1.257 63.384 62.100 0.046 0.000 0.912 195 T CB -0.647 68.235 68.868 0.023 0.000 1.071 195 T HN 0.746 nan 8.240 nan 0.000 0.578 196 S N -0.622 115.095 115.700 0.029 0.000 2.589 196 S HA 0.265 4.737 4.470 0.003 0.000 0.235 196 S C 0.898 175.415 174.600 -0.138 0.000 1.051 196 S CA -0.513 57.644 58.200 -0.071 0.000 0.978 196 S CB -0.154 62.986 63.200 -0.101 0.000 0.929 196 S HN 0.543 nan 8.310 nan 0.000 0.523 197 F N 2.923 122.769 119.950 -0.174 0.000 2.365 197 F HA 0.025 4.553 4.527 0.003 0.000 0.300 197 F C 2.162 177.880 175.800 -0.137 0.000 1.090 197 F CA 1.063 58.942 58.000 -0.202 0.000 1.408 197 F CB 0.111 39.067 39.000 -0.073 0.000 1.060 197 F HN 0.149 nan 8.300 nan 0.000 0.534 198 E N 0.088 120.319 120.200 0.051 0.000 2.268 198 E HA -0.164 4.188 4.350 0.003 0.000 0.195 198 E C 1.885 178.425 176.600 -0.100 0.000 0.995 198 E CA 1.106 57.502 56.400 -0.006 0.000 0.836 198 E CB 0.069 29.768 29.700 -0.002 0.000 0.763 198 E HN 0.082 nan 8.360 nan 0.000 0.491 199 K N -0.068 120.228 120.400 -0.172 0.000 2.202 199 K HA 0.077 4.398 4.320 0.003 0.000 0.201 199 K C 2.056 178.448 176.600 -0.347 0.000 1.051 199 K CA 0.945 57.098 56.287 -0.224 0.000 0.977 199 K CB -0.104 32.263 32.500 -0.222 0.000 0.792 199 K HN 0.407 nan 8.250 nan 0.000 0.469 200 I N -1.979 118.269 120.570 -0.535 0.000 3.684 200 I HA 0.201 4.372 4.170 0.003 0.000 0.304 200 I C 1.964 177.739 176.117 -0.571 0.000 1.278 200 I CA 0.198 61.066 61.300 -0.720 0.000 1.272 200 I CB -0.273 37.056 38.000 -1.119 0.000 1.029 200 I HN -0.203 nan 8.210 nan 0.000 0.458 201 A N 2.066 124.635 122.820 -0.419 0.000 1.883 201 A HA -0.130 4.192 4.320 0.003 0.000 0.217 201 A C 2.402 179.896 177.584 -0.150 0.000 1.186 201 A CA 2.382 54.280 52.037 -0.232 0.000 0.624 201 A CB -1.055 17.924 19.000 -0.035 0.000 0.822 201 A HN 0.321 nan 8.150 nan 0.000 0.444 202 V N 0.595 120.431 119.914 -0.130 0.000 2.255 202 V HA -0.200 3.921 4.120 0.003 0.000 0.247 202 V C 0.153 176.190 176.094 -0.094 0.000 1.051 202 V CA 2.592 64.840 62.300 -0.087 0.000 1.018 202 V CB -1.838 29.941 31.823 -0.074 0.000 0.641 202 V HN 0.415 nan 8.190 nan 0.000 0.445 203 P HA -0.128 nan 4.420 nan 0.000 0.215 203 P C 1.949 179.195 177.300 -0.091 0.000 1.153 203 P CA 1.402 64.459 63.100 -0.073 0.000 0.853 203 P CB -0.090 31.596 31.700 -0.023 0.000 0.788 204 L N -1.435 119.692 121.223 -0.159 0.000 2.191 204 L HA -0.121 4.220 4.340 0.003 0.000 0.212 204 L C 0.328 177.128 176.870 -0.116 0.000 1.103 204 L CA 0.910 55.658 54.840 -0.152 0.000 0.769 204 L CB -1.169 40.733 42.059 -0.262 0.000 0.908 204 L HN 0.108 nan 8.230 nan 0.000 0.438 205 D N 0.846 121.185 120.400 -0.101 0.000 3.278 205 D HA -0.210 4.432 4.640 0.003 0.000 0.233 205 D C -0.478 175.759 176.300 -0.106 0.000 1.149 205 D CA 0.417 54.369 54.000 -0.080 0.000 0.957 205 D CB -0.786 39.968 40.800 -0.078 0.000 0.913 205 D HN 0.185 nan 8.370 nan 0.000 0.409 206 I N 1.613 122.109 120.570 -0.125 0.000 2.385 206 I HA 0.228 4.399 4.170 0.003 0.000 0.294 206 I C 1.021 176.938 176.117 -0.333 0.000 0.988 206 I CA -0.872 60.244 61.300 -0.306 0.000 1.265 206 I CB 1.421 39.103 38.000 -0.529 0.000 1.388 206 I HN 0.157 nan 8.210 nan 0.000 0.480 207 N N 5.417 123.915 118.700 -0.336 0.000 3.234 207 N HA 0.228 4.970 4.740 0.003 0.000 0.272 207 N C 0.555 175.968 175.510 -0.162 0.000 1.254 207 N CA -0.190 52.757 53.050 -0.171 0.000 1.087 207 N CB 0.102 38.532 38.487 -0.094 0.000 1.356 207 N HN 0.402 nan 8.380 nan 0.000 0.511 208 F N 0.187 120.149 119.950 0.021 0.000 2.161 208 F HA -0.138 4.390 4.527 0.002 0.000 0.300 208 F C 1.843 177.668 175.800 0.042 0.000 1.089 208 F CA 0.917 58.939 58.000 0.036 0.000 1.282 208 F CB 0.053 39.082 39.000 0.049 0.000 1.010 208 F HN 0.240 nan 8.300 nan 0.000 0.485 209 D N 0.279 120.805 120.400 0.209 0.000 2.097 209 D HA -0.162 4.480 4.640 0.003 0.000 0.195 209 D C 2.369 178.720 176.300 0.084 0.000 0.989 209 D CA 1.535 55.611 54.000 0.127 0.000 0.827 209 D CB -0.775 40.081 40.800 0.094 0.000 0.966 209 D HN 0.237 nan 8.370 nan 0.000 0.456 210 A N 0.622 123.474 122.820 0.053 0.000 1.877 210 A HA -0.135 4.186 4.320 0.003 0.000 0.216 210 A C 2.547 180.152 177.584 0.034 0.000 1.186 210 A CA 1.274 53.328 52.037 0.029 0.000 0.620 210 A CB -0.885 18.117 19.000 0.004 0.000 0.822 210 A HN 0.136 nan 8.150 nan 0.000 0.443 211 V N 1.082 121.012 119.914 0.027 0.000 2.287 211 V HA -0.295 3.826 4.120 0.003 0.000 0.248 211 V C 2.526 178.685 176.094 0.108 0.000 1.053 211 V CA 2.481 64.805 62.300 0.040 0.000 1.027 211 V CB -1.044 30.772 31.823 -0.012 0.000 0.646 211 V HN 0.771 nan 8.190 nan 0.000 0.447 212 N N 0.647 119.429 118.700 0.136 0.000 2.120 212 N HA -0.169 4.573 4.740 0.003 0.000 0.188 212 N C 2.002 177.562 175.510 0.082 0.000 1.024 212 N CA 2.003 55.135 53.050 0.136 0.000 0.852 212 N CB -0.318 38.252 38.487 0.138 0.000 1.003 212 N HN 0.584 nan 8.380 nan 0.000 0.424 213 S N -1.741 113.997 115.700 0.063 0.000 2.423 213 S HA 0.095 4.567 4.470 0.003 0.000 0.231 213 S C 1.601 176.215 174.600 0.024 0.000 1.014 213 S CA 1.136 59.357 58.200 0.036 0.000 0.965 213 S CB -0.569 62.649 63.200 0.030 0.000 0.785 213 S HN 0.624 nan 8.310 nan 0.000 0.495 214 G N 0.611 109.432 108.800 0.035 0.000 2.159 214 G HA2 -0.229 3.733 3.960 0.003 0.000 0.227 214 G HA3 -0.229 3.733 3.960 0.003 0.000 0.227 214 G C 0.459 175.369 174.900 0.015 0.000 0.986 214 G CA 0.362 45.477 45.100 0.026 0.000 0.651 214 G HN 0.549 nan 8.290 nan 0.000 0.523 215 E N -0.091 120.119 120.200 0.017 0.000 2.005 215 E HA 0.060 4.412 4.350 0.003 0.000 0.191 215 E C 1.172 177.784 176.600 0.019 0.000 0.987 215 E CA 0.701 57.110 56.400 0.014 0.000 0.814 215 E CB 0.020 29.729 29.700 0.014 0.000 0.772 215 E HN 0.279 nan 8.360 nan 0.000 0.453 216 K N 1.124 121.534 120.400 0.018 0.000 2.095 216 K HA 0.301 4.623 4.320 0.003 0.000 0.252 216 K C -0.505 176.109 176.600 0.024 0.000 0.977 216 K CA -0.261 56.039 56.287 0.022 0.000 0.900 216 K CB 1.659 34.163 32.500 0.007 0.000 1.060 216 K HN 0.029 nan 8.250 nan 0.000 0.449 217 Q N 1.138 120.970 119.800 0.053 0.000 2.321 217 Q HA 0.439 4.780 4.340 0.003 0.000 0.270 217 Q C -1.818 174.250 176.000 0.114 0.000 1.032 217 Q CA -0.633 55.209 55.803 0.065 0.000 0.784 217 Q CB 2.042 30.835 28.738 0.093 0.000 1.264 217 Q HN 0.347 nan 8.270 nan 0.000 0.448 218 V N 4.035 123.952 119.914 0.006 0.000 2.709 218 V HA 0.521 4.642 4.120 0.003 0.000 0.308 218 V C -1.574 174.462 176.094 -0.097 0.000 1.062 218 V CA -0.352 61.913 62.300 -0.059 0.000 0.901 218 V CB 2.056 33.789 31.823 -0.151 0.000 1.003 218 V HN 0.921 nan 8.190 nan 0.000 0.425 219 Q N 4.809 124.501 119.800 -0.180 0.000 2.337 219 Q HA 0.633 4.974 4.340 0.003 0.000 0.266 219 Q C -1.781 174.135 176.000 -0.139 0.000 1.023 219 Q CA -0.771 54.956 55.803 -0.127 0.000 0.829 219 Q CB 2.071 30.784 28.738 -0.042 0.000 1.306 219 Q HN 0.738 nan 8.270 nan 0.000 0.449 220 I N 3.227 123.787 120.570 -0.016 0.000 2.392 220 I HA 0.343 4.514 4.170 0.003 0.000 0.295 220 I C -0.863 175.306 176.117 0.086 0.000 0.985 220 I CA -0.504 60.832 61.300 0.060 0.000 1.221 220 I CB 1.992 40.082 38.000 0.149 0.000 1.366 220 I HN 0.437 nan 8.210 nan 0.000 0.467 221 V N 5.826 125.758 119.914 0.030 0.000 2.482 221 V HA 0.354 4.475 4.120 0.003 0.000 0.295 221 V C -0.259 175.787 176.094 -0.081 0.000 1.026 221 V CA -0.851 61.409 62.300 -0.067 0.000 0.856 221 V CB 1.705 33.455 31.823 -0.122 0.000 1.001 221 V HN 0.667 nan 8.190 nan 0.000 0.424 222 N N 4.342 122.999 118.700 -0.071 0.000 2.482 222 N HA 0.146 4.887 4.740 0.003 0.000 0.242 222 N C -0.949 174.387 175.510 -0.291 0.000 1.100 222 N CA -0.196 52.652 53.050 -0.337 0.000 0.946 222 N CB 0.225 38.646 38.487 -0.110 0.000 1.227 222 N HN 0.557 nan 8.380 nan 0.000 0.508 223 F N 3.647 123.373 119.950 -0.373 0.000 2.368 223 F HA 0.348 4.877 4.527 0.003 0.000 0.362 223 F C 0.213 175.855 175.800 -0.262 0.000 1.137 223 F CA -0.741 57.131 58.000 -0.214 0.000 1.161 223 F CB 0.354 39.294 39.000 -0.100 0.000 1.265 223 F HN 0.156 nan 8.300 nan 0.000 0.530 224 K N 4.546 124.582 120.400 -0.607 0.000 2.130 224 K HA 0.252 4.573 4.320 0.003 0.000 0.268 224 K C -0.687 175.487 176.600 -0.711 0.000 0.983 224 K CA -0.768 55.196 56.287 -0.539 0.000 0.893 224 K CB 1.601 33.883 32.500 -0.364 0.000 1.066 224 K HN 0.603 nan 8.250 nan 0.000 0.450 225 Q N 3.962 123.440 119.800 -0.537 0.000 2.932 225 Q HA 0.213 4.555 4.340 0.003 0.000 0.248 225 Q C -1.331 174.336 176.000 -0.556 0.000 0.982 225 Q CA -0.629 54.851 55.803 -0.538 0.000 0.730 225 Q CB 0.663 29.152 28.738 -0.415 0.000 1.249 225 Q HN 0.465 nan 8.270 nan 0.000 0.476 226 I N 2.805 123.127 120.570 -0.412 0.000 2.471 226 I HA 0.036 4.207 4.170 0.003 0.000 0.286 226 I C -0.024 175.914 176.117 -0.298 0.000 1.079 226 I CA 0.497 61.606 61.300 -0.319 0.000 1.398 226 I CB 0.506 38.386 38.000 -0.200 0.000 1.403 226 I HN 0.618 nan 8.210 nan 0.000 0.530 227 Y N 6.841 127.100 120.300 -0.069 0.000 2.301 227 Y HA 0.024 4.576 4.550 0.002 0.000 0.295 227 Y C 0.060 176.013 175.900 0.089 0.000 1.119 227 Y CA 0.682 58.796 58.100 0.024 0.000 1.162 227 Y CB -0.038 38.476 38.460 0.089 0.000 1.046 227 Y HN 0.600 nan 8.280 nan 0.000 0.538 228 Y N -3.192 117.188 120.300 0.134 0.000 2.829 228 Y HA 0.751 5.303 4.550 0.002 0.000 0.322 228 Y C -1.161 174.793 175.900 0.090 0.000 1.357 228 Y CA -1.873 56.243 58.100 0.028 0.000 1.081 228 Y CB 1.307 39.720 38.460 -0.079 0.000 1.339 228 Y HN -0.372 nan 8.280 nan 0.000 0.469 229 T N 1.575 116.291 114.554 0.269 0.000 3.335 229 T HA 0.415 4.767 4.350 0.003 0.000 0.321 229 T C -1.534 173.321 174.700 0.257 0.000 0.960 229 T CA -0.658 61.560 62.100 0.196 0.000 1.034 229 T CB 1.112 70.025 68.868 0.073 0.000 1.040 229 T HN 0.646 nan 8.240 nan 0.000 0.454 230 V N 3.358 123.485 119.914 0.354 0.000 2.461 230 V HA 0.472 4.594 4.120 0.003 0.000 0.275 230 V C 0.393 176.604 176.094 0.194 0.000 1.047 230 V CA -0.230 62.237 62.300 0.278 0.000 0.955 230 V CB 1.204 33.239 31.823 0.353 0.000 0.988 230 V HN 0.964 nan 8.190 nan 0.000 0.471 231 S N 3.614 119.403 115.700 0.149 0.000 2.537 231 S HA 0.695 5.167 4.470 0.003 0.000 0.301 231 S C -0.428 174.255 174.600 0.139 0.000 1.092 231 S CA -0.621 57.657 58.200 0.130 0.000 1.048 231 S CB 2.021 65.288 63.200 0.111 0.000 1.053 231 S HN 0.440 nan 8.310 nan 0.000 0.501 232 V N 2.441 122.441 119.914 0.143 0.000 2.417 232 V HA 0.268 4.390 4.120 0.003 0.000 0.291 232 V C -0.563 175.611 176.094 0.134 0.000 1.024 232 V CA -0.991 61.396 62.300 0.145 0.000 0.861 232 V CB 1.567 33.496 31.823 0.176 0.000 0.985 232 V HN 0.758 nan 8.190 nan 0.000 0.436 233 D N 3.636 124.094 120.400 0.098 0.000 2.451 233 D HA 0.032 4.673 4.640 0.003 0.000 0.254 233 D C 0.557 176.885 176.300 0.047 0.000 1.204 233 D CA 0.481 54.523 54.000 0.070 0.000 0.896 233 D CB 0.420 41.245 40.800 0.042 0.000 1.136 233 D HN 0.531 nan 8.370 nan 0.000 0.499 234 E N 3.484 123.726 120.200 0.071 0.000 2.606 234 E HA 0.004 4.355 4.350 0.003 0.000 0.248 234 E C -2.012 174.573 176.600 -0.026 0.000 1.005 234 E CA -1.089 55.352 56.400 0.068 0.000 0.946 234 E CB 0.178 29.936 29.700 0.096 0.000 0.928 234 E HN 0.192 nan 8.360 nan 0.000 0.494 235 P HA -0.062 nan 4.420 nan 0.000 0.262 235 P C -0.088 177.154 177.300 -0.096 0.000 1.199 235 P CA 0.398 63.397 63.100 -0.167 0.000 0.763 235 P CB 0.503 32.004 31.700 -0.332 0.000 0.790 236 E N 0.608 120.770 120.200 -0.062 0.000 2.209 236 E HA -0.064 4.288 4.350 0.003 0.000 0.196 236 E C -0.013 176.561 176.600 -0.043 0.000 0.993 236 E CA 0.919 57.297 56.400 -0.036 0.000 0.819 236 E CB 0.087 29.773 29.700 -0.023 0.000 0.745 236 E HN 0.392 nan 8.360 nan 0.000 0.477 237 S N -1.162 114.497 115.700 -0.068 0.000 2.537 237 S HA 0.165 4.637 4.470 0.003 0.000 0.271 237 S C -2.385 172.145 174.600 -0.117 0.000 1.148 237 S CA -1.082 57.075 58.200 -0.071 0.000 0.868 237 S CB 1.897 65.083 63.200 -0.024 0.000 1.115 237 S HN -0.211 nan 8.310 nan 0.000 0.461 238 P HA -0.167 nan 4.420 nan 0.000 0.217 238 P C 1.612 178.972 177.300 0.099 0.000 1.148 238 P CA 1.621 64.585 63.100 -0.227 0.000 0.828 238 P CB -0.036 31.290 31.700 -0.623 0.000 0.783 239 S N -0.009 115.749 115.700 0.095 0.000 2.368 239 S HA -0.213 4.259 4.470 0.003 0.000 0.225 239 S C 2.038 176.692 174.600 0.091 0.000 1.030 239 S CA 1.270 59.553 58.200 0.138 0.000 0.999 239 S CB -1.131 62.120 63.200 0.087 0.000 0.844 239 S HN 0.142 nan 8.310 nan 0.000 0.459 240 K N 0.460 120.871 120.400 0.017 0.000 2.147 240 K HA -0.088 4.234 4.320 0.003 0.000 0.205 240 K C 2.118 178.687 176.600 -0.051 0.000 1.049 240 K CA 1.234 57.512 56.287 -0.016 0.000 0.936 240 K CB -0.295 32.180 32.500 -0.042 0.000 0.722 240 K HN 0.373 nan 8.250 nan 0.000 0.446 241 L N 0.778 121.935 121.223 -0.111 0.000 1.973 241 L HA 0.037 4.378 4.340 0.003 0.000 0.208 241 L C 0.652 177.410 176.870 -0.187 0.000 1.073 241 L CA 1.411 56.105 54.840 -0.243 0.000 0.746 241 L CB -0.573 41.216 42.059 -0.450 0.000 0.891 241 L HN 0.015 nan 8.230 nan 0.000 0.433 246 T N 0.067 114.639 114.554 0.029 0.000 3.317 246 T HA 0.163 4.515 4.350 0.003 0.000 0.250 246 T C 1.297 176.000 174.700 0.006 0.000 1.106 246 T CA 0.950 63.059 62.100 0.016 0.000 0.986 246 T CB -0.404 68.473 68.868 0.016 0.000 1.010 246 T HN 0.471 nan 8.240 nan 0.000 0.560 247 T N -0.020 114.538 114.554 0.007 0.000 4.313 247 T HA 0.359 4.711 4.350 0.003 0.000 0.272 247 T C 1.343 176.004 174.700 -0.066 0.000 1.298 247 T CA -0.294 61.788 62.100 -0.029 0.000 1.124 247 T CB 0.164 69.011 68.868 -0.034 0.000 1.352 247 T HN 0.163 nan 8.240 nan 0.000 1.013 248 V N 1.312 121.195 119.914 -0.052 0.000 2.214 248 V HA -0.031 4.090 4.120 0.003 0.000 0.245 248 V C 1.499 177.533 176.094 -0.099 0.000 1.047 248 V CA 1.956 64.221 62.300 -0.059 0.000 0.998 248 V CB -0.158 31.639 31.823 -0.044 0.000 0.633 248 V HN 0.901 nan 8.190 nan 0.000 0.446 249 E N -1.106 119.028 120.200 -0.109 0.000 3.254 249 E HA 0.127 4.478 4.350 0.003 0.000 0.184 249 E C -0.449 176.070 176.600 -0.135 0.000 0.967 249 E CA -0.064 56.245 56.400 -0.152 0.000 1.311 249 E CB 0.062 29.674 29.700 -0.147 0.000 1.071 249 E HN 0.618 nan 8.360 nan 0.000 0.456 250 D N 1.143 121.475 120.400 -0.114 0.000 2.663 250 D HA 0.053 4.695 4.640 0.003 0.000 0.243 250 D C 1.210 177.461 176.300 -0.081 0.000 1.218 250 D CA 0.279 54.233 54.000 -0.076 0.000 0.846 250 D CB 0.339 41.115 40.800 -0.040 0.000 1.014 250 D HN 0.426 nan 8.370 nan 0.000 0.476 251 L N -0.536 120.611 121.223 -0.126 0.000 2.388 251 L HA 0.106 4.447 4.340 0.003 0.000 0.209 251 L C 1.961 178.799 176.870 -0.053 0.000 1.061 251 L CA 0.206 54.986 54.840 -0.100 0.000 0.834 251 L CB 0.077 42.028 42.059 -0.179 0.000 1.029 251 L HN -0.144 nan 8.230 nan 0.000 0.473 252 K N 0.669 121.016 120.400 -0.089 0.000 2.442 252 K HA -0.036 4.285 4.320 0.003 0.000 0.198 252 K C 1.338 177.922 176.600 -0.027 0.000 1.042 252 K CA 0.712 56.964 56.287 -0.060 0.000 0.958 252 K CB 0.042 32.488 32.500 -0.090 0.000 0.766 252 K HN 0.242 nan 8.250 nan 0.000 0.474 253 R N 0.356 120.842 120.500 -0.023 0.000 2.480 253 R HA 0.134 4.475 4.340 0.003 0.000 0.277 253 R C 0.483 176.792 176.300 0.014 0.000 1.008 253 R CA -0.002 56.095 56.100 -0.006 0.000 1.090 253 R CB 0.245 30.539 30.300 -0.010 0.000 1.234 253 R HN 0.102 nan 8.270 nan 0.000 0.549 254 N N -0.781 117.934 118.700 0.026 0.000 2.113 254 N HA 0.072 4.814 4.740 0.003 0.000 0.223 254 N C 0.557 176.098 175.510 0.052 0.000 1.310 254 N CA 0.761 53.841 53.050 0.049 0.000 0.896 254 N CB 1.947 40.483 38.487 0.082 0.000 1.097 254 N HN 0.311 nan 8.380 nan 0.000 0.507 255 G N 1.231 110.055 108.800 0.040 0.000 2.141 255 G HA2 -0.173 3.789 3.960 0.003 0.000 0.164 255 G HA3 -0.173 3.789 3.960 0.003 0.000 0.164 255 G C -0.230 174.699 174.900 0.048 0.000 1.009 255 G CA -0.457 44.666 45.100 0.039 0.000 0.677 255 G HN 0.187 nan 8.290 nan 0.000 0.508 256 I N 2.107 122.711 120.570 0.057 0.000 2.325 256 I HA 0.523 4.695 4.170 0.003 0.000 0.291 256 I C 0.440 176.601 176.117 0.073 0.000 1.019 256 I CA 0.101 61.444 61.300 0.072 0.000 1.302 256 I CB 1.261 39.316 38.000 0.093 0.000 1.401 256 I HN 0.122 nan 8.210 nan 0.000 0.485 257 T N 2.413 117.006 114.554 0.066 0.000 2.762 257 T HA 0.096 4.448 4.350 0.003 0.000 0.301 257 T C 0.228 174.958 174.700 0.050 0.000 1.299 257 T CA -0.565 61.586 62.100 0.085 0.000 1.005 257 T CB 1.862 70.765 68.868 0.057 0.000 1.377 257 T HN 0.472 nan 8.240 nan 0.000 0.504 258 D N -0.065 120.372 120.400 0.063 0.000 2.378 258 D HA -0.008 4.634 4.640 0.003 0.000 0.227 258 D C 1.268 177.607 176.300 0.065 0.000 1.012 258 D CA 0.809 54.846 54.000 0.062 0.000 0.905 258 D CB 0.326 41.156 40.800 0.051 0.000 0.895 258 D HN 0.368 nan 8.370 nan 0.000 0.532 259 E N -0.910 119.312 120.200 0.036 0.000 2.413 259 E HA 0.112 4.463 4.350 0.003 0.000 0.203 259 E C -0.008 176.591 176.600 -0.002 0.000 0.957 259 E CA 0.240 56.656 56.400 0.026 0.000 0.950 259 E CB 1.569 31.286 29.700 0.029 0.000 0.957 259 E HN 0.034 nan 8.360 nan 0.000 0.497 260 V N 4.327 124.231 119.914 -0.017 0.000 2.383 260 V HA 0.201 4.322 4.120 0.003 0.000 0.261 260 V C -2.483 173.576 176.094 -0.058 0.000 0.987 260 V CA -1.522 60.760 62.300 -0.030 0.000 0.853 260 V CB 1.153 32.977 31.823 0.001 0.000 1.095 260 V HN -0.028 nan 8.190 nan 0.000 0.461 261 P HA 0.239 nan 4.420 nan 0.000 0.269 261 P C -2.828 174.459 177.300 -0.022 0.000 1.209 261 P CA -1.254 61.716 63.100 -0.216 0.000 0.776 261 P CB 0.396 31.631 31.700 -0.775 0.000 0.876 262 P HA 0.185 nan 4.420 nan 0.000 0.290 262 P C -0.517 176.853 177.300 0.116 0.000 1.276 262 P CA -0.263 62.934 63.100 0.162 0.000 0.808 262 P CB 0.903 32.811 31.700 0.346 0.000 0.966 263 V N 1.147 121.052 119.914 -0.015 0.000 3.074 263 V HA 0.838 4.960 4.120 0.003 0.000 0.314 263 V C -1.341 174.758 176.094 0.010 0.000 1.117 263 V CA -1.247 60.990 62.300 -0.104 0.000 1.014 263 V CB 1.821 33.404 31.823 -0.399 0.000 1.057 263 V HN 0.589 nan 8.190 nan 0.000 0.438 264 Y N -0.039 120.187 120.300 -0.123 0.000 2.477 264 Y HA 0.838 5.390 4.550 0.002 0.000 0.347 264 Y C -0.730 175.112 175.900 -0.096 0.000 0.981 264 Y CA -1.593 56.434 58.100 -0.121 0.000 1.033 264 Y CB 1.628 40.014 38.460 -0.122 0.000 1.245 264 Y HN 0.501 nan 8.280 nan 0.000 0.455 265 V N 4.348 124.206 119.914 -0.092 0.000 2.409 265 V HA 0.008 4.130 4.120 0.003 0.000 0.270 265 V C 0.985 177.058 176.094 -0.035 0.000 1.019 265 V CA 0.956 63.196 62.300 -0.100 0.000 1.066 265 V CB -0.147 31.610 31.823 -0.110 0.000 1.021 265 V HN 1.055 nan 8.190 nan 0.000 0.476 266 S N 3.079 118.688 115.700 -0.153 0.000 2.356 266 S HA 0.035 4.507 4.470 0.003 0.000 0.219 266 S C 0.993 175.628 174.600 0.059 0.000 1.036 266 S CA 0.553 58.741 58.200 -0.020 0.000 0.965 266 S CB 0.141 63.256 63.200 -0.143 0.000 0.864 266 S HN 0.656 nan 8.310 nan 0.000 0.471 267 S N 0.298 116.014 115.700 0.028 0.000 2.532 267 S HA 0.670 5.142 4.470 0.003 0.000 0.299 267 S C -1.307 173.330 174.600 0.062 0.000 1.105 267 S CA -0.667 57.567 58.200 0.057 0.000 1.018 267 S CB 1.665 64.883 63.200 0.031 0.000 1.021 267 S HN 0.277 nan 8.310 nan 0.000 0.483 268 V N 4.137 124.103 119.914 0.086 0.000 2.444 268 V HA 0.502 4.623 4.120 0.003 0.000 0.294 268 V C -0.196 175.838 176.094 -0.100 0.000 1.022 268 V CA -0.746 61.551 62.300 -0.005 0.000 0.850 268 V CB 1.722 33.550 31.823 0.007 0.000 0.992 268 V HN 0.888 nan 8.190 nan 0.000 0.426 269 S N 4.394 119.965 115.700 -0.214 0.000 2.475 269 S HA 0.668 5.140 4.470 0.003 0.000 0.281 269 S C -0.986 173.346 174.600 -0.447 0.000 1.198 269 S CA -0.294 57.776 58.200 -0.218 0.000 1.063 269 S CB 0.378 63.493 63.200 -0.141 0.000 0.972 269 S HN 0.552 nan 8.310 nan 0.000 0.486 270 Y N 1.531 121.599 120.300 -0.387 0.000 2.328 270 Y HA 0.698 5.249 4.550 0.002 0.000 0.336 270 Y C 0.865 176.531 175.900 -0.390 0.000 0.960 270 Y CA -0.261 57.535 58.100 -0.507 0.000 1.134 270 Y CB 1.823 39.629 38.460 -1.090 0.000 1.166 270 Y HN 0.877 nan 8.280 nan 0.000 0.464 271 G N 2.223 111.006 108.800 -0.029 0.000 2.562 271 G HA2 0.418 4.379 3.960 0.003 0.000 0.190 271 G HA3 0.418 4.379 3.960 0.003 0.000 0.190 271 G C -1.524 173.389 174.900 0.022 0.000 1.196 271 G CA -1.156 43.949 45.100 0.008 0.000 0.986 271 G HN 0.348 nan 8.290 nan 0.000 0.512 272 R N 0.411 120.811 120.500 -0.166 0.000 2.393 272 R HA 0.624 4.966 4.340 0.003 0.000 0.315 272 R C -0.910 175.212 176.300 -0.296 0.000 0.952 272 R CA -0.364 55.655 56.100 -0.136 0.000 0.842 272 R CB 1.822 32.114 30.300 -0.013 0.000 1.163 272 R HN 0.368 nan 8.270 nan 0.000 0.450 273 S N 3.614 118.988 115.700 -0.544 0.000 2.442 273 S HA 0.448 4.920 4.470 0.003 0.000 0.297 273 S C -0.407 173.903 174.600 -0.483 0.000 1.131 273 S CA -0.607 57.202 58.200 -0.651 0.000 1.092 273 S CB 0.582 63.206 63.200 -0.960 0.000 0.998 273 S HN 0.599 nan 8.310 nan 0.000 0.478 274 M N 5.929 125.381 119.600 -0.247 0.000 2.035 274 M HA 0.439 4.921 4.480 0.003 0.000 0.286 274 M C -2.032 174.236 176.300 -0.054 0.000 0.907 274 M CA -0.517 54.768 55.300 -0.024 0.000 0.935 274 M CB 0.355 33.007 32.600 0.087 0.000 1.557 274 M HN 0.587 nan 8.290 nan 0.000 0.426 275 F N 6.073 126.090 119.950 0.112 0.000 2.375 275 F HA 0.439 4.967 4.527 0.003 0.000 0.362 275 F C -0.086 175.745 175.800 0.052 0.000 1.129 275 F CA -0.226 57.810 58.000 0.060 0.000 1.154 275 F CB 0.380 39.380 39.000 -0.000 0.000 1.205 275 F HN 0.389 nan 8.300 nan 0.000 0.513 276 I N 4.014 124.667 120.570 0.138 0.000 2.412 276 I HA 0.356 4.528 4.170 0.003 0.000 0.296 276 I C -0.069 176.094 176.117 0.076 0.000 0.987 276 I CA -1.055 60.317 61.300 0.119 0.000 1.180 276 I CB 1.627 39.661 38.000 0.057 0.000 1.340 276 I HN 0.309 nan 8.210 nan 0.000 0.455 277 K N 6.696 127.140 120.400 0.073 0.000 2.307 277 K HA 0.501 4.823 4.320 0.003 0.000 0.263 277 K C -1.714 174.865 176.600 -0.036 0.000 0.973 277 K CA -0.697 55.588 56.287 -0.003 0.000 0.846 277 K CB 1.316 33.800 32.500 -0.027 0.000 1.100 277 K HN 0.441 nan 8.250 nan 0.000 0.438 278 L N 4.590 125.699 121.223 -0.189 0.000 2.298 278 L HA 0.360 4.701 4.340 0.003 0.000 0.284 278 L C -0.043 176.630 176.870 -0.329 0.000 1.013 278 L CA -0.363 54.285 54.840 -0.321 0.000 0.824 278 L CB 1.488 43.103 42.059 -0.740 0.000 1.221 278 L HN 0.587 nan 8.230 nan 0.000 0.418 279 E N 1.540 121.676 120.200 -0.105 0.000 2.195 279 E HA 0.852 5.203 4.350 0.003 0.000 0.271 279 E C -1.112 175.568 176.600 0.132 0.000 0.923 279 E CA -0.732 55.669 56.400 0.001 0.000 0.790 279 E CB 1.994 31.680 29.700 -0.023 0.000 1.155 279 E HN 0.381 nan 8.360 nan 0.000 0.402 280 T N 1.719 116.404 114.554 0.220 0.000 2.956 280 T HA 0.156 4.508 4.350 0.003 0.000 0.312 280 T C -0.111 174.668 174.700 0.133 0.000 1.151 280 T CA -0.832 61.396 62.100 0.214 0.000 1.024 280 T CB 1.648 70.711 68.868 0.325 0.000 1.140 280 T HN 0.460 nan 8.240 nan 0.000 0.473 281 S N 1.779 117.533 115.700 0.091 0.000 2.743 281 S HA 0.156 4.627 4.470 0.003 0.000 0.230 281 S C 1.064 175.704 174.600 0.067 0.000 0.950 281 S CA -0.321 57.917 58.200 0.064 0.000 0.976 281 S CB -0.674 62.555 63.200 0.048 0.000 0.779 281 S HN 0.761 nan 8.310 nan 0.000 0.487 282 S N 0.913 116.661 115.700 0.080 0.000 2.626 282 S HA 0.481 4.952 4.470 0.003 0.000 0.257 282 S C 0.554 175.174 174.600 0.032 0.000 1.288 282 S CA -0.763 57.488 58.200 0.086 0.000 0.980 282 S CB 0.527 63.780 63.200 0.089 0.000 0.975 282 S HN 0.312 nan 8.310 nan 0.000 0.577 283 R N 0.363 120.858 120.500 -0.008 0.000 2.523 283 R HA 0.379 4.721 4.340 0.003 0.000 0.223 283 R C 1.133 177.395 176.300 -0.063 0.000 1.280 283 R CA -0.134 55.936 56.100 -0.051 0.000 1.047 283 R CB -0.162 30.079 30.300 -0.099 0.000 1.650 283 R HN 0.904 nan 8.270 nan 0.000 0.545 284 S N -0.765 114.896 115.700 -0.066 0.000 2.582 284 S HA 0.176 4.647 4.470 0.003 0.000 0.249 284 S C -0.464 174.093 174.600 -0.072 0.000 1.072 284 S CA -0.486 57.689 58.200 -0.042 0.000 1.115 284 S CB -0.234 62.961 63.200 -0.009 0.000 0.790 284 S HN 0.369 nan 8.310 nan 0.000 0.459 285 T N 2.711 117.187 114.554 -0.129 0.000 2.864 285 T HA 0.438 4.790 4.350 0.003 0.000 0.299 285 T C -0.089 174.507 174.700 -0.173 0.000 1.011 285 T CA -0.630 61.376 62.100 -0.156 0.000 0.975 285 T CB 1.166 69.901 68.868 -0.221 0.000 0.962 285 T HN 0.436 nan 8.240 nan 0.000 0.448 286 Q N 0.557 120.291 119.800 -0.110 0.000 2.374 286 Q HA -0.205 4.137 4.340 0.003 0.000 0.218 286 Q C 1.321 177.249 176.000 -0.119 0.000 0.691 286 Q CA 0.564 56.315 55.803 -0.088 0.000 1.340 286 Q CB -2.198 26.494 28.738 -0.076 0.000 1.498 286 Q HN 0.565 nan 8.270 nan 0.000 0.739 287 V N 0.577 120.392 119.914 -0.166 0.000 2.233 287 V HA -0.351 3.770 4.120 0.003 0.000 0.247 287 V C 2.316 178.218 176.094 -0.319 0.000 1.050 287 V CA 2.707 64.805 62.300 -0.337 0.000 1.010 287 V CB -0.473 31.178 31.823 -0.287 0.000 0.637 287 V HN 0.381 nan 8.190 nan 0.000 0.444 288 Q N 0.096 119.846 119.800 -0.082 0.000 1.998 288 Q HA -0.276 4.065 4.340 0.003 0.000 0.209 288 Q C 2.186 178.223 176.000 0.061 0.000 1.002 288 Q CA 2.855 58.694 55.803 0.060 0.000 0.858 288 Q CB -0.765 28.023 28.738 0.084 0.000 0.932 288 Q HN 0.616 nan 8.270 nan 0.000 0.416 289 A N 0.221 123.051 122.820 0.018 0.000 1.892 289 A HA -0.209 4.113 4.320 0.003 0.000 0.218 289 A C 2.303 179.896 177.584 0.015 0.000 1.188 289 A CA 2.436 54.486 52.037 0.022 0.000 0.631 289 A CB -1.497 17.506 19.000 0.004 0.000 0.822 289 A HN 0.603 nan 8.150 nan 0.000 0.447 290 A N -0.804 121.987 122.820 -0.048 0.000 1.859 290 A HA -0.086 4.235 4.320 0.003 0.000 0.217 290 A C 1.958 179.575 177.584 0.056 0.000 1.198 290 A CA 1.937 53.940 52.037 -0.057 0.000 0.629 290 A CB -0.901 17.989 19.000 -0.182 0.000 0.830 290 A HN 0.458 nan 8.150 nan 0.000 0.446 291 F N 0.030 120.012 119.950 0.054 0.000 2.069 291 F HA -0.135 4.394 4.527 0.002 0.000 0.298 291 F C 2.286 178.131 175.800 0.074 0.000 1.113 291 F CA 1.541 59.577 58.000 0.061 0.000 1.214 291 F CB -0.982 38.065 39.000 0.078 0.000 0.978 291 F HN 0.251 nan 8.300 nan 0.000 0.474 292 K N 0.160 120.737 120.400 0.295 0.000 1.991 292 K HA -0.197 4.125 4.320 0.003 0.000 0.212 292 K C 2.273 178.898 176.600 0.041 0.000 1.049 292 K CA 1.589 57.986 56.287 0.183 0.000 0.932 292 K CB -0.456 32.124 32.500 0.134 0.000 0.717 292 K HN 0.162 nan 8.250 nan 0.000 0.441 293 A N 0.847 123.687 122.820 0.034 0.000 1.940 293 A HA -0.175 4.146 4.320 0.003 0.000 0.219 293 A C 2.286 179.871 177.584 0.002 0.000 1.176 293 A CA 2.107 54.143 52.037 -0.002 0.000 0.631 293 A CB -0.864 18.139 19.000 0.005 0.000 0.814 293 A HN 0.536 nan 8.150 nan 0.000 0.446 294 A N 0.125 122.973 122.820 0.046 0.000 1.858 294 A HA -0.081 4.241 4.320 0.003 0.000 0.216 294 A C 2.024 179.599 177.584 -0.014 0.000 1.190 294 A CA 1.654 53.711 52.037 0.034 0.000 0.617 294 A CB -0.539 18.523 19.000 0.103 0.000 0.827 294 A HN 0.404 nan 8.150 nan 0.000 0.443 295 I N 0.066 120.644 120.570 0.013 0.000 2.208 295 I HA -0.218 3.953 4.170 0.003 0.000 0.245 295 I C 2.093 178.152 176.117 -0.096 0.000 1.097 295 I CA 1.627 62.906 61.300 -0.035 0.000 1.363 295 I CB -1.170 36.915 38.000 0.141 0.000 1.051 295 I HN 0.381 nan 8.210 nan 0.000 0.413 296 K N 0.623 120.963 120.400 -0.099 0.000 2.362 296 K HA 0.005 4.327 4.320 0.003 0.000 0.200 296 K C 0.969 177.523 176.600 -0.076 0.000 1.046 296 K CA 0.627 56.847 56.287 -0.112 0.000 0.952 296 K CB -0.262 32.149 32.500 -0.148 0.000 0.753 296 K HN 0.471 nan 8.250 nan 0.000 0.466 297 G N 2.194 110.951 108.800 -0.071 0.000 2.372 297 G HA2 -0.218 3.744 3.960 0.003 0.000 0.290 297 G HA3 -0.218 3.744 3.960 0.003 0.000 0.290 297 G C 0.253 175.128 174.900 -0.042 0.000 0.965 297 G CA 0.507 45.571 45.100 -0.060 0.000 1.263 297 G HN 0.284 nan 8.290 nan 0.000 0.498 298 V N -0.850 119.044 119.914 -0.034 0.000 2.955 298 V HA 0.475 4.597 4.120 0.003 0.000 0.379 298 V C 1.066 177.149 176.094 -0.019 0.000 1.288 298 V CA 0.435 62.720 62.300 -0.025 0.000 1.358 298 V CB 0.289 32.097 31.823 -0.026 0.000 1.406 298 V HN 1.416 nan 8.190 nan 0.000 0.569 299 D N -0.556 119.833 120.400 -0.019 0.000 2.983 299 D HA -0.328 4.314 4.640 0.003 0.000 0.225 299 D C 0.606 176.898 176.300 -0.013 0.000 1.174 299 D CA 1.210 55.201 54.000 -0.015 0.000 0.831 299 D CB -1.716 39.077 40.800 -0.011 0.000 1.104 299 D HN 0.603 nan 8.370 nan 0.000 0.421 300 I N 0.639 121.201 120.570 -0.013 0.000 2.300 300 I HA -0.276 3.896 4.170 0.003 0.000 0.252 300 I C 2.341 178.453 176.117 -0.007 0.000 1.119 300 I CA 2.364 63.659 61.300 -0.008 0.000 1.384 300 I CB -0.793 37.204 38.000 -0.005 0.000 1.062 300 I HN 0.367 nan 8.210 nan 0.000 0.426 301 S N 0.365 116.058 115.700 -0.011 0.000 2.380 301 S HA -0.134 4.338 4.470 0.003 0.000 0.229 301 S C 1.455 176.048 174.600 -0.011 0.000 1.043 301 S CA 1.016 59.209 58.200 -0.013 0.000 1.038 301 S CB -1.369 61.822 63.200 -0.016 0.000 0.872 301 S HN 0.686 nan 8.310 nan 0.000 0.456 302 G N 1.020 109.814 108.800 -0.009 0.000 2.343 302 G HA2 0.255 4.216 3.960 0.003 0.000 0.254 302 G HA3 0.255 4.216 3.960 0.003 0.000 0.254 302 G C 0.194 175.092 174.900 -0.003 0.000 1.277 302 G CA 0.147 45.243 45.100 -0.006 0.000 0.909 302 G HN 0.584 nan 8.290 nan 0.000 0.502 303 N N -0.215 118.484 118.700 -0.002 0.000 2.735 303 N HA -0.180 4.561 4.740 0.003 0.000 0.248 303 N C 0.361 175.874 175.510 0.005 0.000 1.083 303 N CA 0.875 53.926 53.050 0.002 0.000 0.703 303 N CB -1.213 37.276 38.487 0.003 0.000 1.005 303 N HN 1.038 nan 8.380 nan 0.000 0.550 304 A N 0.446 123.267 122.820 0.001 0.000 2.527 304 A HA 0.301 4.623 4.320 0.003 0.000 0.313 304 A C 1.281 178.873 177.584 0.013 0.000 1.410 304 A CA -0.086 51.955 52.037 0.005 0.000 1.060 304 A CB 0.157 19.153 19.000 -0.006 0.000 1.137 304 A HN 0.503 nan 8.150 nan 0.000 0.542 305 E N 1.284 121.505 120.200 0.035 0.000 2.019 305 E HA -0.220 4.132 4.350 0.003 0.000 0.208 305 E C -0.259 176.396 176.600 0.092 0.000 1.030 305 E CA 1.652 58.088 56.400 0.060 0.000 0.856 305 E CB -0.109 29.635 29.700 0.072 0.000 0.781 305 E HN 0.764 nan 8.360 nan 0.000 0.471 306 Y N 1.194 121.482 120.300 -0.021 0.000 2.700 306 Y HA 0.118 4.669 4.550 0.002 0.000 0.333 306 Y C 0.674 176.555 175.900 -0.031 0.000 1.036 306 Y CA -0.150 57.934 58.100 -0.026 0.000 1.287 306 Y CB 0.644 39.083 38.460 -0.034 0.000 1.132 306 Y HN -0.007 nan 8.280 nan 0.000 0.510 307 Q N 2.010 121.680 119.800 -0.218 0.000 2.247 307 Q HA 0.020 4.362 4.340 0.003 0.000 0.211 307 Q C 0.497 176.350 176.000 -0.244 0.000 0.861 307 Q CA 0.159 55.867 55.803 -0.157 0.000 0.949 307 Q CB 0.525 29.209 28.738 -0.091 0.000 1.115 307 Q HN 0.745 nan 8.270 nan 0.000 0.507 308 D N 1.274 121.359 120.400 -0.525 0.000 2.190 308 D HA -0.202 4.440 4.640 0.003 0.000 0.200 308 D C 1.821 178.001 176.300 -0.201 0.000 0.992 308 D CA 1.046 54.787 54.000 -0.432 0.000 0.854 308 D CB -0.110 40.270 40.800 -0.699 0.000 0.936 308 D HN 0.489 nan 8.370 nan 0.000 0.462 309 I N -1.116 119.374 120.570 -0.133 0.000 2.315 309 I HA -0.173 3.998 4.170 0.003 0.000 0.248 309 I C 1.930 178.069 176.117 0.036 0.000 1.117 309 I CA 1.289 62.593 61.300 0.007 0.000 1.404 309 I CB -1.196 36.801 38.000 -0.006 0.000 1.071 309 I HN 0.021 nan 8.210 nan 0.000 0.419 310 L N 0.570 121.796 121.223 0.005 0.000 2.217 310 L HA -0.039 4.303 4.340 0.003 0.000 0.211 310 L C 2.359 179.239 176.870 0.017 0.000 1.107 310 L CA 0.704 55.565 54.840 0.035 0.000 0.783 310 L CB -0.463 41.602 42.059 0.011 0.000 0.919 310 L HN 0.173 nan 8.230 nan 0.000 0.442 311 K N -0.097 120.291 120.400 -0.021 0.000 2.459 311 K HA 0.056 4.377 4.320 0.003 0.000 0.193 311 K C 0.549 177.152 176.600 0.004 0.000 1.030 311 K CA 0.475 56.751 56.287 -0.019 0.000 1.026 311 K CB -0.028 32.440 32.500 -0.053 0.000 0.809 311 K HN 0.245 nan 8.250 nan 0.000 0.504 312 N N 0.756 119.470 118.700 0.023 0.000 2.351 312 N HA 0.012 4.753 4.740 0.003 0.000 0.254 312 N C -0.791 174.779 175.510 0.100 0.000 1.241 312 N CA 0.036 53.115 53.050 0.049 0.000 0.883 312 N CB 1.001 39.512 38.487 0.040 0.000 1.202 312 N HN 0.004 nan 8.380 nan 0.000 0.512 313 T N -0.450 114.177 114.554 0.121 0.000 2.875 313 T HA 0.359 4.710 4.350 0.003 0.000 0.307 313 T C 0.415 175.206 174.700 0.151 0.000 1.013 313 T CA -0.744 61.462 62.100 0.177 0.000 0.970 313 T CB 0.128 69.120 68.868 0.207 0.000 0.986 313 T HN 0.067 nan 8.240 nan 0.000 0.536 314 S N 3.751 119.527 115.700 0.126 0.000 2.457 314 S HA 0.727 5.199 4.470 0.003 0.000 0.289 314 S C -0.341 174.331 174.600 0.119 0.000 1.163 314 S CA -1.099 57.167 58.200 0.109 0.000 1.078 314 S CB 0.206 63.428 63.200 0.036 0.000 0.987 314 S HN 0.759 nan 8.310 nan 0.000 0.482 315 F N 0.642 120.562 119.950 -0.050 0.000 2.618 315 F HA 0.898 5.426 4.527 0.003 0.000 0.332 315 F C -0.556 175.210 175.800 -0.058 0.000 1.061 315 F CA -0.895 57.061 58.000 -0.073 0.000 0.974 315 F CB 1.699 40.651 39.000 -0.079 0.000 1.310 315 F HN 0.656 nan 8.300 nan 0.000 0.491 316 S N 1.480 117.037 115.700 -0.237 0.000 2.689 316 S HA 0.822 5.293 4.470 0.003 0.000 0.274 316 S C -1.286 173.305 174.600 -0.015 0.000 1.176 316 S CA -0.353 57.648 58.200 -0.332 0.000 1.014 316 S CB 0.830 63.902 63.200 -0.213 0.000 1.071 316 S HN 1.419 nan 8.310 nan 0.000 0.478 317 A N 2.755 125.606 122.820 0.051 0.000 2.342 317 A HA 0.751 5.072 4.320 0.003 0.000 0.323 317 A C -1.400 176.286 177.584 0.170 0.000 1.125 317 A CA -0.742 51.414 52.037 0.199 0.000 0.785 317 A CB 1.018 20.213 19.000 0.325 0.000 1.221 317 A HN 1.164 nan 8.150 nan 0.000 0.463 318 Y N 3.458 123.811 120.300 0.090 0.000 2.369 318 Y HA 0.565 5.116 4.550 0.002 0.000 0.337 318 Y C -0.478 175.550 175.900 0.214 0.000 0.961 318 Y CA -1.050 57.116 58.100 0.109 0.000 1.186 318 Y CB 0.785 39.270 38.460 0.042 0.000 1.139 318 Y HN 0.733 nan 8.280 nan 0.000 0.494 319 I N 5.336 125.829 120.570 -0.128 0.000 2.603 319 I HA 0.843 5.014 4.170 0.003 0.000 0.300 319 I C -1.742 174.356 176.117 -0.033 0.000 1.017 319 I CA -1.079 60.198 61.300 -0.038 0.000 1.098 319 I CB 1.845 39.838 38.000 -0.011 0.000 1.279 319 I HN 0.416 nan 8.210 nan 0.000 0.437 320 F N 2.598 122.530 119.950 -0.031 0.000 2.635 320 F HA 0.948 5.476 4.527 0.003 0.000 0.314 320 F C -0.274 175.568 175.800 0.070 0.000 1.119 320 F CA -0.396 57.598 58.000 -0.011 0.000 1.000 320 F CB 1.207 40.203 39.000 -0.006 0.000 1.278 320 F HN 1.180 nan 8.300 nan 0.000 0.446 321 G N 0.680 109.601 108.800 0.201 0.000 2.617 321 G HA2 0.496 4.458 3.960 0.003 0.000 0.686 321 G HA3 0.496 4.458 3.960 0.003 0.000 0.686 321 G C 0.276 175.270 174.900 0.157 0.000 1.214 321 G CA 0.146 45.346 45.100 0.167 0.000 0.796 321 G HN 2.800 nan 8.290 nan 0.000 0.654 322 G N 1.539 110.452 108.800 0.188 0.000 5.426 322 G HA2 -0.244 3.717 3.960 0.003 0.000 0.297 322 G HA3 -0.244 3.717 3.960 0.003 0.000 0.297 322 G C 1.429 176.401 174.900 0.121 0.000 1.422 322 G CA 1.419 46.626 45.100 0.179 0.000 0.938 322 G HN 2.322 nan 8.290 nan 0.000 0.754 323 D N 1.681 122.164 120.400 0.139 0.000 2.178 323 D HA 0.385 5.026 4.640 0.003 0.000 0.201 323 D C 1.099 177.461 176.300 0.104 0.000 0.980 323 D CA 2.408 56.488 54.000 0.133 0.000 0.842 323 D CB -0.346 40.523 40.800 0.115 0.000 0.948 323 D HN 1.778 nan 8.370 nan 0.000 0.472 324 A N -1.436 121.442 122.820 0.097 0.000 2.604 324 A HA 0.616 4.938 4.320 0.003 0.000 0.295 324 A C 0.137 177.779 177.584 0.097 0.000 1.067 324 A CA -0.404 51.682 52.037 0.082 0.000 0.683 324 A CB 1.702 20.744 19.000 0.069 0.000 1.281 324 A HN 0.131 nan 8.150 nan 0.000 0.407 325 G N 0.078 108.927 108.800 0.082 0.000 4.291 325 G HA2 0.452 4.414 3.960 0.003 0.000 0.304 325 G HA3 0.452 4.414 3.960 0.003 0.000 0.304 325 G C 0.515 175.461 174.900 0.077 0.000 1.264 325 G CA 0.846 46.003 45.100 0.096 0.000 1.039 325 G HN 1.417 nan 8.290 nan 0.000 0.578 326 S N -1.148 114.592 115.700 0.067 0.000 3.952 326 S HA 0.682 5.153 4.470 0.003 0.000 0.211 326 S C 0.857 175.477 174.600 0.033 0.000 1.098 326 S CA 0.664 58.891 58.200 0.044 0.000 0.954 326 S CB 0.573 63.793 63.200 0.033 0.000 1.222 326 S HN 0.785 nan 8.310 nan 0.000 0.585 327 A N 1.210 124.049 122.820 0.032 0.000 2.346 327 A HA 0.959 5.281 4.320 0.003 0.000 0.313 327 A C -0.140 177.451 177.584 0.012 0.000 1.140 327 A CA -0.444 51.601 52.037 0.012 0.000 0.826 327 A CB 1.089 20.091 19.000 0.003 0.000 1.332 327 A HN 1.114 nan 8.150 nan 0.000 0.457 328 A N -0.345 122.453 122.820 -0.038 0.000 2.256 328 A HA 0.809 5.130 4.320 0.003 0.000 0.318 328 A C -0.025 177.464 177.584 -0.158 0.000 1.103 328 A CA -0.345 51.617 52.037 -0.125 0.000 0.860 328 A CB 0.644 19.429 19.000 -0.358 0.000 1.182 328 A HN 0.856 nan 8.150 nan 0.000 0.501 329 T N 0.408 114.827 114.554 -0.224 0.000 2.881 329 T HA 0.516 4.868 4.350 0.003 0.000 0.290 329 T C -0.993 173.607 174.700 -0.166 0.000 1.000 329 T CA -0.278 61.737 62.100 -0.141 0.000 0.978 329 T CB 1.336 70.166 68.868 -0.062 0.000 0.997 329 T HN 0.456 nan 8.240 nan 0.000 0.443 330 V N 3.776 123.638 119.914 -0.086 0.000 2.398 330 V HA 0.592 4.713 4.120 0.003 0.000 0.286 330 V C -0.450 175.620 176.094 -0.041 0.000 1.026 330 V CA -0.623 61.658 62.300 -0.031 0.000 0.868 330 V CB 1.652 33.487 31.823 0.019 0.000 0.982 330 V HN 0.720 nan 8.190 nan 0.000 0.443 331 V N 4.022 123.909 119.914 -0.045 0.000 2.447 331 V HA 0.425 4.547 4.120 0.003 0.000 0.292 331 V C -0.042 175.864 176.094 -0.313 0.000 1.021 331 V CA -0.308 61.934 62.300 -0.096 0.000 0.850 331 V CB 1.922 33.750 31.823 0.009 0.000 1.005 331 V HN 0.869 nan 8.190 nan 0.000 0.426 332 S N 2.800 118.286 115.700 -0.355 0.000 2.578 332 S HA 0.961 5.432 4.470 0.003 0.000 0.283 332 S C 0.537 174.786 174.600 -0.585 0.000 1.195 332 S CA 0.220 58.084 58.200 -0.560 0.000 1.050 332 S CB 1.884 64.897 63.200 -0.311 0.000 1.012 332 S HN 1.262 nan 8.310 nan 0.000 0.511 333 G N 2.123 110.451 108.800 -0.787 0.000 2.441 333 G HA2 0.241 4.202 3.960 0.003 0.000 0.225 333 G HA3 0.241 4.202 3.960 0.003 0.000 0.225 333 G C -1.607 173.298 174.900 0.008 0.000 1.200 333 G CA -0.595 44.325 45.100 -0.301 0.000 0.947 333 G HN 0.559 nan 8.290 nan 0.000 0.484 334 N N -0.606 118.275 118.700 0.303 0.000 2.432 334 N HA 0.493 5.234 4.740 0.003 0.000 0.292 334 N C 1.404 177.096 175.510 0.302 0.000 1.193 334 N CA -0.390 52.830 53.050 0.285 0.000 0.878 334 N CB 1.874 40.438 38.487 0.127 0.000 1.252 334 N HN 0.625 nan 8.380 nan 0.000 0.520 335 I N 2.185 122.841 120.570 0.144 0.000 2.093 335 I HA -0.366 3.805 4.170 0.003 0.000 0.239 335 I C 1.401 177.465 176.117 -0.088 0.000 1.026 335 I CA 2.070 63.366 61.300 -0.007 0.000 1.295 335 I CB -0.438 37.573 38.000 0.019 0.000 1.007 335 I HN 0.721 nan 8.210 nan 0.000 0.401 336 E N 0.072 120.256 120.200 -0.026 0.000 2.049 336 E HA -0.213 4.138 4.350 0.003 0.000 0.198 336 E C 2.166 178.731 176.600 -0.058 0.000 1.007 336 E CA 2.358 58.733 56.400 -0.042 0.000 0.809 336 E CB -1.009 28.684 29.700 -0.012 0.000 0.749 336 E HN 0.591 nan 8.360 nan 0.000 0.450 337 T N 1.362 115.926 114.554 0.017 0.000 2.737 337 T HA -0.189 4.162 4.350 0.003 0.000 0.269 337 T C 1.729 176.376 174.700 -0.087 0.000 1.040 337 T CA 1.294 63.437 62.100 0.071 0.000 1.142 337 T CB -0.329 68.702 68.868 0.272 0.000 0.861 337 T HN 0.035 nan 8.240 nan 0.000 0.456 338 L N 1.189 122.124 121.223 -0.481 0.000 1.994 338 L HA -0.017 4.324 4.340 0.003 0.000 0.208 338 L C 2.182 178.765 176.870 -0.478 0.000 1.071 338 L CA 1.771 55.995 54.840 -1.027 0.000 0.745 338 L CB -0.633 40.482 42.059 -1.573 0.000 0.892 338 L HN 0.109 nan 8.230 nan 0.000 0.431 339 K N -0.164 120.045 120.400 -0.320 0.000 1.987 339 K HA -0.235 4.086 4.320 0.003 0.000 0.216 339 K C 2.049 178.550 176.600 -0.165 0.000 1.051 339 K CA 2.239 58.400 56.287 -0.209 0.000 0.942 339 K CB -0.377 32.041 32.500 -0.137 0.000 0.722 339 K HN 0.291 nan 8.250 nan 0.000 0.444 340 K N 0.628 120.955 120.400 -0.122 0.000 2.211 340 K HA -0.110 4.211 4.320 0.003 0.000 0.204 340 K C 2.137 178.680 176.600 -0.095 0.000 1.047 340 K CA 0.934 57.169 56.287 -0.087 0.000 0.935 340 K CB -0.127 32.337 32.500 -0.060 0.000 0.728 340 K HN 0.225 nan 8.250 nan 0.000 0.452 341 I N 1.422 121.923 120.570 -0.116 0.000 2.286 341 I HA -0.206 3.966 4.170 0.003 0.000 0.245 341 I C 2.228 178.280 176.117 -0.110 0.000 1.104 341 I CA 0.866 62.112 61.300 -0.091 0.000 1.397 341 I CB 0.052 38.028 38.000 -0.040 0.000 1.072 341 I HN 0.135 nan 8.210 nan 0.000 0.417 342 I N -1.522 118.940 120.570 -0.180 0.000 2.353 342 I HA -0.155 4.017 4.170 0.003 0.000 0.248 342 I C 2.091 178.136 176.117 -0.120 0.000 1.119 342 I CA 1.184 62.357 61.300 -0.212 0.000 1.417 342 I CB -0.621 37.142 38.000 -0.394 0.000 1.078 342 I HN 0.076 nan 8.210 nan 0.000 0.421 343 E N 1.755 121.895 120.200 -0.100 0.000 2.106 343 E HA -0.176 4.175 4.350 0.003 0.000 0.192 343 E C 1.930 178.538 176.600 0.013 0.000 0.984 343 E CA 1.375 57.754 56.400 -0.036 0.000 0.806 343 E CB -0.266 29.411 29.700 -0.040 0.000 0.750 343 E HN 0.709 nan 8.360 nan 0.000 0.458 344 E N -0.299 119.887 120.200 -0.023 0.000 2.502 344 E HA 0.038 4.389 4.350 0.003 0.000 0.194 344 E C 1.558 178.161 176.600 0.005 0.000 1.062 344 E CA 0.404 56.782 56.400 -0.037 0.000 0.867 344 E CB 0.261 29.862 29.700 -0.165 0.000 0.888 344 E HN 0.203 nan 8.360 nan 0.000 0.510 345 G N 0.190 109.010 108.800 0.034 0.000 3.044 345 G HA2 0.186 4.148 3.960 0.003 0.000 0.223 345 G HA3 0.186 4.148 3.960 0.003 0.000 0.223 345 G C 1.238 176.233 174.900 0.158 0.000 1.123 345 G CA 0.489 45.639 45.100 0.084 0.000 0.765 345 G HN 0.243 nan 8.290 nan 0.000 0.546 346 A N 1.770 124.681 122.820 0.152 0.000 1.859 346 A HA 0.204 4.526 4.320 0.003 0.000 0.212 346 A C 2.007 179.737 177.584 0.243 0.000 1.238 346 A CA 0.659 52.809 52.037 0.189 0.000 0.613 346 A CB -0.082 19.004 19.000 0.144 0.000 0.904 346 A HN 0.265 nan 8.150 nan 0.000 0.457 347 R N -1.933 118.696 120.500 0.215 0.000 2.694 347 R HA 0.337 4.679 4.340 0.003 0.000 0.334 347 R C 0.313 176.750 176.300 0.228 0.000 1.143 347 R CA -0.036 56.190 56.100 0.210 0.000 1.073 347 R CB -0.278 30.111 30.300 0.150 0.000 1.366 347 R HN 0.563 nan 8.270 nan 0.000 0.577 348 Y N 0.379 120.762 120.300 0.138 0.000 2.430 348 Y HA 0.334 4.885 4.550 0.003 0.000 0.254 348 Y C 1.420 177.430 175.900 0.183 0.000 1.088 348 Y CA -0.113 58.063 58.100 0.128 0.000 1.267 348 Y CB 0.813 39.324 38.460 0.086 0.000 1.204 348 Y HN 0.228 nan 8.280 nan 0.000 0.515 349 G N 1.184 110.171 108.800 0.313 0.000 2.481 349 G HA2 0.293 4.254 3.960 0.003 0.000 0.251 349 G HA3 0.293 4.254 3.960 0.003 0.000 0.251 349 G C -0.693 174.219 174.900 0.019 0.000 1.492 349 G CA -0.120 45.099 45.100 0.199 0.000 1.060 349 G HN 0.292 nan 8.290 nan 0.000 0.553 350 K N -2.686 117.554 120.400 -0.267 0.000 2.466 350 K HA 0.560 4.882 4.320 0.003 0.000 0.277 350 K C -0.228 175.989 176.600 -0.639 0.000 1.039 350 K CA -0.939 55.017 56.287 -0.552 0.000 0.904 350 K CB 1.181 33.197 32.500 -0.807 0.000 1.506 350 K HN 0.314 nan 8.250 nan 0.000 0.441 351 L N 0.675 121.596 121.223 -0.503 0.000 2.717 351 L HA 0.154 4.496 4.340 0.003 0.000 0.239 351 L C 0.721 177.463 176.870 -0.213 0.000 1.086 351 L CA 0.678 55.306 54.840 -0.352 0.000 0.897 351 L CB -0.583 41.347 42.059 -0.216 0.000 1.214 351 L HN 0.708 nan 8.230 nan 0.000 0.508 352 N N 1.603 120.152 118.700 -0.252 0.000 2.064 352 N HA -0.186 4.556 4.740 0.003 0.000 0.200 352 N C 0.434 175.872 175.510 -0.120 0.000 1.028 352 N CA 1.611 54.554 53.050 -0.177 0.000 0.880 352 N CB -0.186 38.185 38.487 -0.192 0.000 1.062 352 N HN 0.320 nan 8.380 nan 0.000 0.454 353 L N -0.720 120.452 121.223 -0.085 0.000 2.580 353 L HA 0.498 4.839 4.340 0.003 0.000 0.266 353 L C 0.230 177.134 176.870 0.056 0.000 0.955 353 L CA -0.725 54.111 54.840 -0.006 0.000 0.886 353 L CB 2.222 44.272 42.059 -0.016 0.000 1.263 353 L HN 0.063 nan 8.230 nan 0.000 0.406 354 G N 1.542 110.445 108.800 0.171 0.000 2.613 354 G HA2 0.660 4.622 3.960 0.003 0.000 0.303 354 G HA3 0.660 4.622 3.960 0.003 0.000 0.303 354 G C -1.345 173.718 174.900 0.271 0.000 1.312 354 G CA -0.567 44.658 45.100 0.207 0.000 1.036 354 G HN 0.245 nan 8.290 nan 0.000 0.513 355 V N 0.616 120.710 119.914 0.300 0.000 2.628 355 V HA 0.549 4.671 4.120 0.003 0.000 0.306 355 V C -2.204 174.066 176.094 0.293 0.000 1.045 355 V CA -2.072 60.425 62.300 0.329 0.000 0.905 355 V CB 2.525 34.526 31.823 0.296 0.000 0.997 355 V HN 0.524 nan 8.190 nan 0.000 0.436 356 P HA 0.182 nan 4.420 nan 0.000 0.262 356 P C 0.405 177.757 177.300 0.088 0.000 1.199 356 P CA 0.451 63.440 63.100 -0.185 0.000 0.763 356 P CB 0.219 31.828 31.700 -0.151 0.000 0.790 357 I N 0.689 121.277 120.570 0.031 0.000 4.403 357 I HA 0.299 4.470 4.170 0.003 0.000 0.331 357 I C -0.210 176.005 176.117 0.164 0.000 1.327 357 I CA -0.099 61.327 61.300 0.211 0.000 1.175 357 I CB 0.534 38.540 38.000 0.010 0.000 1.165 357 I HN 0.239 nan 8.210 nan 0.000 0.413 358 S N 0.681 116.415 115.700 0.057 0.000 2.552 358 S HA 0.651 5.123 4.470 0.003 0.000 0.272 358 S C -1.028 173.623 174.600 0.085 0.000 1.150 358 S CA -0.587 57.658 58.200 0.076 0.000 0.849 358 S CB 1.519 64.711 63.200 -0.013 0.000 1.113 358 S HN 0.505 nan 8.310 nan 0.000 0.458 359 Y N -1.046 119.202 120.300 -0.087 0.000 2.670 359 Y HA 0.878 5.430 4.550 0.003 0.000 0.334 359 Y C -0.970 174.877 175.900 -0.088 0.000 1.185 359 Y CA -0.621 57.417 58.100 -0.104 0.000 1.053 359 Y CB 1.024 39.418 38.460 -0.111 0.000 1.298 359 Y HN 1.205 nan 8.280 nan 0.000 0.459 360 S N 0.313 115.971 115.700 -0.071 0.000 2.546 360 S HA 0.853 5.324 4.470 0.003 0.000 0.274 360 S C -0.980 173.558 174.600 -0.103 0.000 1.121 360 S CA -0.173 57.922 58.200 -0.174 0.000 0.887 360 S CB 1.728 64.846 63.200 -0.136 0.000 1.094 360 S HN 1.357 nan 8.310 nan 0.000 0.474 361 T N -0.181 114.263 114.554 -0.183 0.000 2.906 361 T HA 0.745 5.097 4.350 0.003 0.000 0.295 361 T C -1.328 173.146 174.700 -0.378 0.000 1.075 361 T CA -0.852 61.077 62.100 -0.285 0.000 1.005 361 T CB 1.422 70.162 68.868 -0.212 0.000 1.136 361 T HN 0.579 nan 8.240 nan 0.000 0.498 362 N N 0.112 118.434 118.700 -0.630 0.000 2.240 362 N HA 0.515 5.257 4.740 0.003 0.000 0.302 362 N C -1.232 174.129 175.510 -0.249 0.000 1.106 362 N CA -0.891 51.907 53.050 -0.420 0.000 0.778 362 N CB 1.173 39.407 38.487 -0.423 0.000 1.431 362 N HN 0.605 nan 8.380 nan 0.000 0.479 363 F N 0.562 120.524 119.950 0.020 0.000 2.572 363 F HA -0.017 4.512 4.527 0.002 0.000 0.370 363 F C 1.966 177.926 175.800 0.266 0.000 1.103 363 F CA -0.222 57.873 58.000 0.159 0.000 1.286 363 F CB 0.485 39.624 39.000 0.232 0.000 1.105 363 F HN 0.236 nan 8.300 nan 0.000 0.583 364 V N 3.164 123.351 119.914 0.454 0.000 2.515 364 V HA -0.253 3.869 4.120 0.003 0.000 0.250 364 V C 2.244 178.428 176.094 0.150 0.000 1.058 364 V CA 1.903 64.377 62.300 0.290 0.000 1.064 364 V CB -0.617 31.350 31.823 0.239 0.000 0.675 364 V HN 0.798 nan 8.190 nan 0.000 0.461 365 K N 1.404 122.049 120.400 0.409 0.000 1.963 365 K HA -0.201 4.120 4.320 0.003 0.000 0.216 365 K C 1.471 178.176 176.600 0.175 0.000 1.045 365 K CA 2.108 58.611 56.287 0.360 0.000 0.954 365 K CB -0.221 32.580 32.500 0.503 0.000 0.732 365 K HN 0.623 nan 8.250 nan 0.000 0.442 366 D N -0.889 119.624 120.400 0.189 0.000 2.402 366 D HA 0.035 4.676 4.640 0.003 0.000 0.216 366 D C -0.432 175.950 176.300 0.137 0.000 1.128 366 D CA -0.216 53.849 54.000 0.108 0.000 0.833 366 D CB -0.092 40.731 40.800 0.038 0.000 0.971 366 D HN 0.231 nan 8.370 nan 0.000 0.503 367 N N 0.622 119.452 118.700 0.216 0.000 2.693 367 N HA -0.256 4.486 4.740 0.003 0.000 0.249 367 N C -0.199 175.424 175.510 0.189 0.000 1.119 367 N CA 0.802 53.999 53.050 0.245 0.000 0.717 367 N CB -1.374 37.230 38.487 0.196 0.000 1.071 367 N HN 0.612 nan 8.380 nan 0.000 0.555 368 R N 0.777 121.408 120.500 0.217 0.000 2.438 368 R HA 0.310 4.652 4.340 0.003 0.000 0.287 368 R C -2.439 174.003 176.300 0.236 0.000 1.077 368 R CA -1.065 55.143 56.100 0.181 0.000 1.034 368 R CB 0.588 30.958 30.300 0.116 0.000 0.993 368 R HN -0.122 nan 8.270 nan 0.000 0.459 369 P HA -0.008 nan 4.420 nan 0.000 0.262 369 P C -1.059 176.337 177.300 0.159 0.000 1.199 369 P CA 0.285 63.430 63.100 0.076 0.000 0.763 369 P CB 1.003 32.722 31.700 0.032 0.000 0.790 370 A N 4.668 127.540 122.820 0.087 0.000 2.785 370 A HA 0.018 4.340 4.320 0.003 0.000 0.294 370 A C 0.385 178.004 177.584 0.058 0.000 1.597 370 A CA 0.001 52.106 52.037 0.113 0.000 1.283 370 A CB -0.848 17.988 19.000 -0.275 0.000 1.088 370 A HN 0.490 nan 8.150 nan 0.000 0.568 371 Q N 1.670 121.537 119.800 0.112 0.000 2.389 371 Q HA 0.271 4.613 4.340 0.003 0.000 0.244 371 Q C -0.762 175.263 176.000 0.042 0.000 1.056 371 Q CA -0.334 55.494 55.803 0.042 0.000 0.908 371 Q CB 0.770 29.530 28.738 0.036 0.000 1.273 371 Q HN 0.666 nan 8.270 nan 0.000 0.471 372 I N 3.162 123.734 120.570 0.004 0.000 2.618 372 I HA -0.051 4.120 4.170 0.003 0.000 0.284 372 I C -0.222 175.896 176.117 0.001 0.000 1.146 372 I CA 0.181 61.484 61.300 0.005 0.000 1.425 372 I CB 0.166 38.154 38.000 -0.019 0.000 1.383 372 I HN 0.430 nan 8.210 nan 0.000 0.562 373 L N 6.461 127.691 121.223 0.012 0.000 2.331 373 L HA 0.767 5.108 4.340 0.003 0.000 0.275 373 L C -0.300 176.572 176.870 0.004 0.000 1.022 373 L CA 0.134 54.977 54.840 0.005 0.000 0.812 373 L CB 1.742 43.809 42.059 0.013 0.000 1.257 373 L HN 0.576 nan 8.230 nan 0.000 0.435 374 S N 3.349 119.047 115.700 -0.003 0.000 2.603 374 S HA 0.630 5.102 4.470 0.003 0.000 0.274 374 S C -1.448 173.151 174.600 -0.001 0.000 1.168 374 S CA -0.754 57.446 58.200 -0.001 0.000 0.963 374 S CB 0.567 63.762 63.200 -0.008 0.000 1.078 374 S HN 0.743 nan 8.310 nan 0.000 0.477 375 N N 1.683 120.389 118.700 0.011 0.000 2.370 375 N HA 0.696 5.438 4.740 0.003 0.000 0.303 375 N C -1.425 174.104 175.510 0.032 0.000 1.103 375 N CA -0.462 52.600 53.050 0.019 0.000 0.848 375 N CB 1.902 40.401 38.487 0.020 0.000 1.235 375 N HN 0.485 nan 8.380 nan 0.000 0.496 376 S N 0.383 116.113 115.700 0.050 0.000 2.599 376 S HA 0.179 4.650 4.470 0.003 0.000 0.269 376 S C -1.341 173.346 174.600 0.145 0.000 1.135 376 S CA -0.663 57.583 58.200 0.077 0.000 1.027 376 S CB 0.315 63.545 63.200 0.051 0.000 1.129 376 S HN 0.407 nan 8.310 nan 0.000 0.458 377 E N 2.797 123.072 120.200 0.125 0.000 2.366 377 E HA 0.501 4.853 4.350 0.003 0.000 0.266 377 E C -0.709 176.016 176.600 0.209 0.000 1.051 377 E CA -0.237 56.237 56.400 0.125 0.000 0.884 377 E CB 0.785 30.507 29.700 0.036 0.000 1.006 377 E HN 0.631 nan 8.360 nan 0.000 0.417 378 Y N -0.508 119.790 120.300 -0.003 0.000 2.744 378 Y HA 0.531 5.083 4.550 0.002 0.000 0.330 378 Y C -1.498 174.391 175.900 -0.020 0.000 1.263 378 Y CA -1.384 56.721 58.100 0.008 0.000 1.065 378 Y CB 0.841 39.323 38.460 0.037 0.000 1.306 378 Y HN 0.180 nan 8.280 nan 0.000 0.459 379 I N 2.229 122.808 120.570 0.016 0.000 2.382 379 I HA 0.269 4.441 4.170 0.003 0.000 0.286 379 I C -0.422 175.631 176.117 -0.106 0.000 1.002 379 I CA -0.648 60.580 61.300 -0.120 0.000 1.135 379 I CB 1.169 39.173 38.000 0.007 0.000 1.288 379 I HN 0.821 nan 8.210 nan 0.000 0.448 380 E N 5.303 125.263 120.200 -0.401 0.000 2.105 380 E HA 0.251 4.603 4.350 0.003 0.000 0.285 380 E C -0.820 175.653 176.600 -0.212 0.000 1.055 380 E CA -0.187 55.873 56.400 -0.567 0.000 0.843 380 E CB 0.696 30.050 29.700 -0.576 0.000 1.067 380 E HN 0.505 nan 8.360 nan 0.000 0.398 381 T N 4.111 118.684 114.554 0.031 0.000 2.781 381 T HA 0.182 4.533 4.350 0.003 0.000 0.305 381 T C -0.355 174.438 174.700 0.156 0.000 1.001 381 T CA -0.478 61.692 62.100 0.117 0.000 0.950 381 T CB 1.201 70.175 68.868 0.176 0.000 0.955 381 T HN 0.345 nan 8.240 nan 0.000 0.471 382 T N 2.598 117.186 114.554 0.057 0.000 2.792 382 T HA 0.606 4.958 4.350 0.003 0.000 0.280 382 T C -0.029 174.672 174.700 0.001 0.000 0.990 382 T CA -0.641 61.490 62.100 0.053 0.000 0.960 382 T CB 0.572 69.460 68.868 0.034 0.000 0.939 382 T HN 0.613 nan 8.240 nan 0.000 0.439 383 S N 3.377 119.074 115.700 -0.005 0.000 2.664 383 S HA 0.867 5.339 4.470 0.003 0.000 0.304 383 S C -0.641 173.922 174.600 -0.062 0.000 1.099 383 S CA -0.705 57.466 58.200 -0.048 0.000 1.003 383 S CB 1.839 65.008 63.200 -0.051 0.000 1.092 383 S HN 0.704 nan 8.310 nan 0.000 0.525 384 T N 0.964 115.461 114.554 -0.095 0.000 2.971 384 T HA 0.508 4.860 4.350 0.003 0.000 0.304 384 T C -1.127 173.401 174.700 -0.285 0.000 1.038 384 T CA -0.600 61.399 62.100 -0.167 0.000 1.007 384 T CB 1.591 70.396 68.868 -0.105 0.000 1.055 384 T HN 0.773 nan 8.240 nan 0.000 0.451 385 V N 4.482 124.196 119.914 -0.332 0.000 2.439 385 V HA 0.475 4.597 4.120 0.003 0.000 0.282 385 V C -0.988 174.869 176.094 -0.395 0.000 1.039 385 V CA -0.411 61.739 62.300 -0.251 0.000 0.913 385 V CB 0.767 32.523 31.823 -0.110 0.000 0.983 385 V HN 0.903 nan 8.190 nan 0.000 0.460 386 H N 5.715 124.876 119.070 0.151 0.000 2.887 386 H HA 0.431 4.988 4.556 0.003 0.000 0.300 386 H C -0.367 175.049 175.328 0.147 0.000 1.038 386 H CA -0.778 55.374 56.048 0.173 0.000 1.352 386 H CB 1.022 30.948 29.762 0.274 0.000 1.473 386 H HN 0.665 nan 8.280 nan 0.000 0.503 387 N N 0.842 119.642 118.700 0.167 0.000 2.381 387 N HA -0.071 4.670 4.740 0.003 0.000 0.241 387 N C 0.830 176.398 175.510 0.096 0.000 1.279 387 N CA 0.104 53.221 53.050 0.111 0.000 0.896 387 N CB 0.788 39.316 38.487 0.068 0.000 1.118 387 N HN 0.480 nan 8.380 nan 0.000 0.438 388 S N -0.467 115.272 115.700 0.064 0.000 2.598 388 S HA 0.218 4.689 4.470 0.003 0.000 0.256 388 S C 0.018 174.610 174.600 -0.013 0.000 1.350 388 S CA -0.291 57.923 58.200 0.023 0.000 0.984 388 S CB 0.304 63.516 63.200 0.018 0.000 0.930 388 S HN 0.485 nan 8.310 nan 0.000 0.577 389 S N 0.356 116.019 115.700 -0.062 0.000 2.571 389 S HA 0.692 5.163 4.470 0.003 0.000 0.284 389 S C -1.060 173.470 174.600 -0.117 0.000 1.128 389 S CA -0.345 57.801 58.200 -0.090 0.000 0.970 389 S CB 1.163 64.286 63.200 -0.129 0.000 1.039 389 S HN 1.068 nan 8.310 nan 0.000 0.485 390 A N 3.689 126.453 122.820 -0.093 0.000 2.303 390 A HA 0.774 5.096 4.320 0.003 0.000 0.320 390 A C -1.120 176.399 177.584 -0.109 0.000 1.192 390 A CA -0.553 51.426 52.037 -0.096 0.000 0.821 390 A CB 0.849 19.811 19.000 -0.063 0.000 1.188 390 A HN 0.865 nan 8.150 nan 0.000 0.492 391 L N 3.058 124.198 121.223 -0.138 0.000 2.353 391 L HA 0.526 4.868 4.340 0.003 0.000 0.270 391 L C -0.238 176.550 176.870 -0.136 0.000 1.003 391 L CA 0.311 55.067 54.840 -0.141 0.000 0.862 391 L CB 1.479 43.427 42.059 -0.184 0.000 1.221 391 L HN 0.576 nan 8.230 nan 0.000 0.430 392 T N 6.071 120.565 114.554 -0.100 0.000 2.856 392 T HA 0.579 4.930 4.350 0.003 0.000 0.292 392 T C -0.213 174.450 174.700 -0.062 0.000 0.980 392 T CA -0.079 61.965 62.100 -0.093 0.000 1.091 392 T CB 0.605 69.428 68.868 -0.075 0.000 0.936 392 T HN 0.425 nan 8.240 nan 0.000 0.503 393 L N 3.447 124.640 121.223 -0.049 0.000 2.356 393 L HA 0.542 4.883 4.340 0.003 0.000 0.277 393 L C -0.276 176.665 176.870 0.118 0.000 0.996 393 L CA -0.830 54.067 54.840 0.094 0.000 0.822 393 L CB 1.646 43.786 42.059 0.135 0.000 1.256 393 L HN 0.533 nan 8.230 nan 0.000 0.413 394 D N 2.141 122.656 120.400 0.191 0.000 2.629 394 D HA 0.195 4.836 4.640 0.003 0.000 0.250 394 D C -1.410 175.084 176.300 0.322 0.000 1.126 394 D CA -0.264 53.825 54.000 0.149 0.000 0.852 394 D CB 1.703 42.542 40.800 0.066 0.000 1.335 394 D HN 0.590 nan 8.370 nan 0.000 0.518 395 H N 2.271 121.437 119.070 0.161 0.000 2.638 395 H HA 0.401 4.959 4.556 0.003 0.000 0.317 395 H C -1.161 174.210 175.328 0.070 0.000 1.006 395 H CA -0.521 55.652 56.048 0.208 0.000 1.222 395 H CB 0.841 30.799 29.762 0.327 0.000 1.419 395 H HN 0.107 nan 8.280 nan 0.000 0.489 396 S N 4.031 119.776 115.700 0.075 0.000 2.204 396 S HA 0.293 4.764 4.470 0.003 0.000 0.178 396 S C 0.097 174.666 174.600 -0.050 0.000 1.493 396 S CA -0.582 57.614 58.200 -0.007 0.000 1.266 396 S CB 0.848 64.153 63.200 0.175 0.000 1.232 396 S HN 0.784 nan 8.310 nan 0.000 0.406 397 G N 0.469 108.973 108.800 -0.494 0.000 2.495 397 G HA2 0.601 4.563 3.960 0.003 0.000 0.318 397 G HA3 0.601 4.563 3.960 0.003 0.000 0.318 397 G C 0.040 174.447 174.900 -0.821 0.000 1.257 397 G CA -0.897 43.649 45.100 -0.923 0.000 0.962 397 G HN 0.453 nan 8.290 nan 0.000 0.483 398 A N 1.540 124.107 122.820 -0.422 0.000 2.711 398 A HA 0.548 4.869 4.320 0.003 0.000 0.242 398 A C 0.020 177.599 177.584 -0.008 0.000 1.607 398 A CA 0.114 52.072 52.037 -0.132 0.000 1.370 398 A CB -1.413 17.601 19.000 0.024 0.000 0.934 398 A HN 1.185 nan 8.150 nan 0.000 0.628 399 Y N -4.529 115.836 120.300 0.109 0.000 2.953 399 Y HA 0.635 5.186 4.550 0.003 0.000 0.321 399 Y C -0.946 175.052 175.900 0.164 0.000 1.514 399 Y CA -1.869 56.277 58.100 0.076 0.000 1.091 399 Y CB 0.494 38.964 38.460 0.017 0.000 1.700 399 Y HN -0.111 nan 8.280 nan 0.000 0.436 400 V N 1.289 121.449 119.914 0.410 0.000 2.448 400 V HA 0.849 4.970 4.120 0.003 0.000 0.295 400 V C -0.435 175.841 176.094 0.304 0.000 1.025 400 V CA -0.470 62.008 62.300 0.296 0.000 0.859 400 V CB 0.916 32.804 31.823 0.110 0.000 0.988 400 V HN 1.053 nan 8.190 nan 0.000 0.431 401 A N 4.581 127.493 122.820 0.154 0.000 2.287 401 A HA 0.641 4.963 4.320 0.003 0.000 0.317 401 A C -0.169 177.445 177.584 0.051 0.000 1.220 401 A CA -0.715 51.353 52.037 0.051 0.000 0.835 401 A CB 0.608 19.448 19.000 -0.267 0.000 1.180 401 A HN 0.781 nan 8.150 nan 0.000 0.500 402 K N 1.957 122.339 120.400 -0.029 0.000 2.349 402 K HA 0.297 4.618 4.320 0.003 0.000 0.288 402 K C -1.333 175.159 176.600 -0.181 0.000 1.058 402 K CA 0.348 56.489 56.287 -0.243 0.000 0.953 402 K CB 0.430 32.483 32.500 -0.745 0.000 0.997 402 K HN 0.683 nan 8.250 nan 0.000 0.477 403 Y N 1.772 121.988 120.300 -0.140 0.000 2.376 403 Y HA 0.244 4.796 4.550 0.003 0.000 0.325 403 Y C 0.346 176.262 175.900 0.027 0.000 1.199 403 Y CA -0.379 57.704 58.100 -0.027 0.000 1.206 403 Y CB 1.447 39.981 38.460 0.124 0.000 1.229 403 Y HN 0.546 nan 8.280 nan 0.000 0.480 404 N N 3.202 121.998 118.700 0.160 0.000 2.932 404 N HA 0.192 4.933 4.740 0.003 0.000 0.242 404 N C -1.905 173.690 175.510 0.141 0.000 1.351 404 N CA -0.304 52.828 53.050 0.137 0.000 0.785 404 N CB 0.161 38.655 38.487 0.011 0.000 1.501 404 N HN 0.618 nan 8.380 nan 0.000 0.584 405 I N -0.804 119.913 120.570 0.245 0.000 2.474 405 I HA 0.795 4.967 4.170 0.003 0.000 0.294 405 I C -0.391 175.913 176.117 0.311 0.000 1.005 405 I CA -0.495 60.939 61.300 0.223 0.000 1.113 405 I CB 2.239 40.335 38.000 0.159 0.000 1.289 405 I HN 0.183 nan 8.210 nan 0.000 0.436 406 T N 4.562 119.301 114.554 0.309 0.000 2.865 406 T HA 0.812 5.164 4.350 0.003 0.000 0.294 406 T C -1.696 173.236 174.700 0.388 0.000 1.119 406 T CA -0.414 61.806 62.100 0.200 0.000 1.007 406 T CB 1.599 70.494 68.868 0.045 0.000 1.225 406 T HN 0.957 nan 8.240 nan 0.000 0.515 407 W N 1.414 122.706 121.300 -0.013 0.000 2.743 407 W HA 0.671 5.332 4.660 0.003 0.000 0.434 407 W C -2.022 174.434 176.519 -0.104 0.000 1.048 407 W CA -0.915 56.388 57.345 -0.069 0.000 1.170 407 W CB 0.176 29.600 29.460 -0.060 0.000 1.466 407 W HN 0.833 nan 8.180 nan 0.000 0.596 408 E N 0.519 120.758 120.200 0.064 0.000 2.356 408 E HA 0.587 4.938 4.350 0.003 0.000 0.275 408 E C -1.356 175.322 176.600 0.130 0.000 0.904 408 E CA -1.025 55.322 56.400 -0.089 0.000 0.757 408 E CB 3.093 32.624 29.700 -0.281 0.000 1.232 408 E HN 0.488 nan 8.360 nan 0.000 0.442 409 E N 1.233 121.525 120.200 0.154 0.000 2.195 409 E HA 0.350 4.702 4.350 0.003 0.000 0.271 409 E C -0.739 176.004 176.600 0.239 0.000 0.923 409 E CA -1.145 55.373 56.400 0.197 0.000 0.790 409 E CB 2.627 32.410 29.700 0.138 0.000 1.155 409 E HN 0.276 nan 8.360 nan 0.000 0.402 410 V N 2.214 122.186 119.914 0.098 0.000 2.508 410 V HA 0.111 4.233 4.120 0.003 0.000 0.281 410 V C 0.148 176.125 176.094 -0.194 0.000 1.041 410 V CA 0.013 62.222 62.300 -0.151 0.000 1.016 410 V CB 1.099 32.724 31.823 -0.330 0.000 0.984 410 V HN 0.544 nan 8.190 nan 0.000 0.478 411 S N 4.528 120.094 115.700 -0.222 0.000 2.640 411 S HA 0.521 4.993 4.470 0.003 0.000 0.320 411 S C -0.920 173.581 174.600 -0.165 0.000 1.097 411 S CA -0.521 57.622 58.200 -0.095 0.000 1.092 411 S CB 0.268 63.454 63.200 -0.024 0.000 0.988 411 S HN 0.532 nan 8.310 nan 0.000 0.470 412 Y N 4.989 125.342 120.300 0.088 0.000 2.714 412 Y HA 0.349 4.900 4.550 0.003 0.000 0.333 412 Y C 0.946 176.869 175.900 0.038 0.000 1.220 412 Y CA -0.674 57.458 58.100 0.053 0.000 1.513 412 Y CB -0.218 38.289 38.460 0.079 0.000 1.435 412 Y HN 0.591 nan 8.280 nan 0.000 0.489 413 N N 1.119 119.893 118.700 0.122 0.000 2.332 413 N HA 0.061 4.803 4.740 0.003 0.000 0.282 413 N C 0.325 175.885 175.510 0.084 0.000 1.288 413 N CA -0.387 52.715 53.050 0.086 0.000 0.949 413 N CB 0.308 38.822 38.487 0.044 0.000 1.108 413 N HN 0.484 nan 8.380 nan 0.000 0.542 414 E N -0.331 119.901 120.200 0.053 0.000 2.428 414 E HA 0.229 4.580 4.350 0.003 0.000 0.257 414 E C 0.356 176.979 176.600 0.037 0.000 1.197 414 E CA 0.540 56.964 56.400 0.041 0.000 0.974 414 E CB 0.169 29.885 29.700 0.027 0.000 0.976 414 E HN 0.584 nan 8.360 nan 0.000 0.463 415 A N 0.721 123.557 122.820 0.026 0.000 3.413 415 A HA -0.248 4.073 4.320 0.003 0.000 0.268 415 A C 1.475 179.076 177.584 0.029 0.000 1.128 415 A CA 1.522 53.571 52.037 0.019 0.000 1.062 415 A CB -2.414 16.594 19.000 0.014 0.000 1.121 415 A HN 1.496 nan 8.150 nan 0.000 0.895 416 G N -1.092 107.739 108.800 0.052 0.000 2.225 416 G HA2 -0.220 3.741 3.960 0.003 0.000 0.267 416 G HA3 -0.220 3.741 3.960 0.003 0.000 0.267 416 G C -0.162 174.811 174.900 0.122 0.000 1.024 416 G CA 1.478 46.624 45.100 0.078 0.000 0.784 416 G HN 1.688 nan 8.290 nan 0.000 0.507 417 E N 0.228 120.483 120.200 0.092 0.000 2.216 417 E HA 0.431 4.782 4.350 0.003 0.000 0.279 417 E C 0.452 177.043 176.600 -0.015 0.000 0.997 417 E CA -0.732 55.692 56.400 0.040 0.000 0.817 417 E CB 0.640 30.340 29.700 -0.000 0.000 1.096 417 E HN 0.469 nan 8.360 nan 0.000 0.393 418 E N 1.662 121.782 120.200 -0.135 0.000 2.413 418 E HA 0.104 4.455 4.350 0.003 0.000 0.263 418 E C -0.864 175.531 176.600 -0.340 0.000 1.015 418 E CA 0.034 56.178 56.400 -0.427 0.000 0.916 418 E CB 1.203 30.543 29.700 -0.600 0.000 0.947 418 E HN 0.170 nan 8.360 nan 0.000 0.440 419 V N 4.219 123.909 119.914 -0.373 0.000 2.380 419 V HA 0.071 4.192 4.120 0.003 0.000 0.268 419 V C -0.820 175.212 176.094 -0.102 0.000 1.008 419 V CA -0.885 61.309 62.300 -0.177 0.000 0.823 419 V CB 0.278 32.046 31.823 -0.091 0.000 1.053 419 V HN 0.655 nan 8.190 nan 0.000 0.446 420 W N 3.193 124.426 121.300 -0.111 0.000 2.368 420 W HA 0.340 5.001 4.660 0.002 0.000 0.316 420 W C 0.589 177.060 176.519 -0.080 0.000 1.375 420 W CA -0.239 57.048 57.345 -0.098 0.000 1.261 420 W CB 0.647 30.060 29.460 -0.077 0.000 1.298 420 W HN 0.585 nan 8.180 nan 0.000 0.539 421 E N 5.810 126.111 120.200 0.168 0.000 2.179 421 E HA 0.365 4.717 4.350 0.003 0.000 0.275 421 E C -2.257 174.322 176.600 -0.035 0.000 0.945 421 E CA -2.436 53.990 56.400 0.043 0.000 0.792 421 E CB 1.857 31.568 29.700 0.019 0.000 1.125 421 E HN -0.045 nan 8.360 nan 0.000 0.397 422 P HA 0.090 nan 4.420 nan 0.000 0.268 422 P C -1.181 175.961 177.300 -0.263 0.000 1.205 422 P CA 0.050 63.051 63.100 -0.165 0.000 0.771 422 P CB 0.534 32.157 31.700 -0.127 0.000 0.858 423 K N 1.492 121.613 120.400 -0.464 0.000 2.523 423 K HA 0.815 5.137 4.320 0.003 0.000 0.257 423 K C -1.192 174.863 176.600 -0.910 0.000 0.932 423 K CA -0.676 55.168 56.287 -0.738 0.000 0.812 423 K CB 3.093 34.937 32.500 -1.093 0.000 1.326 423 K HN 0.451 nan 8.250 nan 0.000 0.433 424 A N 1.203 123.617 122.820 -0.678 0.000 2.539 424 A HA 0.540 4.861 4.320 0.003 0.000 0.296 424 A C -1.830 175.666 177.584 -0.146 0.000 1.073 424 A CA -0.776 51.020 52.037 -0.401 0.000 0.700 424 A CB 0.824 19.718 19.000 -0.177 0.000 1.296 424 A HN 0.649 nan 8.150 nan 0.000 0.405 425 W N 2.784 124.045 121.300 -0.065 0.000 2.295 425 W HA 0.190 4.852 4.660 0.003 0.000 0.335 425 W C 0.877 177.402 176.519 0.010 0.000 1.351 425 W CA 0.595 57.992 57.345 0.087 0.000 1.273 425 W CB 0.581 30.138 29.460 0.161 0.000 1.214 425 W HN 0.872 nan 8.180 nan 0.000 0.563 426 D N 3.102 123.348 120.400 -0.256 0.000 2.263 426 D HA -0.230 4.411 4.640 0.003 0.000 0.208 426 D C 0.752 176.695 176.300 -0.595 0.000 0.971 426 D CA 1.530 55.318 54.000 -0.353 0.000 0.867 426 D CB -0.148 40.515 40.800 -0.228 0.000 0.929 426 D HN 0.561 nan 8.370 nan 0.000 0.492 427 K N -0.236 119.422 120.400 -1.237 0.000 2.397 427 K HA 0.118 4.440 4.320 0.003 0.000 0.202 427 K C 0.029 176.222 176.600 -0.680 0.000 1.022 427 K CA -0.690 54.902 56.287 -1.159 0.000 1.141 427 K CB 0.172 31.571 32.500 -1.834 0.000 0.857 427 K HN -0.039 nan 8.250 nan 0.000 0.514 428 N N 0.907 119.419 118.700 -0.313 0.000 2.345 428 N HA -0.055 4.686 4.740 0.003 0.000 0.243 428 N C 1.278 176.730 175.510 -0.098 0.000 1.246 428 N CA 1.597 54.640 53.050 -0.012 0.000 0.863 428 N CB 0.591 39.104 38.487 0.044 0.000 1.096 428 N HN 0.394 nan 8.380 nan 0.000 0.446 429 G N -0.433 108.324 108.800 -0.072 0.000 2.257 429 G HA2 -0.295 3.666 3.960 0.003 0.000 0.267 429 G HA3 -0.295 3.666 3.960 0.003 0.000 0.267 429 G C 0.147 174.954 174.900 -0.154 0.000 0.984 429 G CA 0.585 45.603 45.100 -0.137 0.000 0.626 429 G HN 0.531 nan 8.290 nan 0.000 0.540 430 V N 2.467 122.293 119.914 -0.148 0.000 2.637 430 V HA 0.423 4.545 4.120 0.003 0.000 0.296 430 V C 0.352 176.381 176.094 -0.109 0.000 1.046 430 V CA 0.099 62.304 62.300 -0.159 0.000 1.066 430 V CB 1.214 32.876 31.823 -0.268 0.000 0.968 430 V HN 0.675 nan 8.190 nan 0.000 0.483 431 N N 5.477 124.135 118.700 -0.070 0.000 2.392 431 N HA 0.546 5.288 4.740 0.003 0.000 0.283 431 N C -1.148 174.361 175.510 -0.001 0.000 1.003 431 N CA -0.654 52.403 53.050 0.012 0.000 0.892 431 N CB 1.406 39.985 38.487 0.152 0.000 1.193 431 N HN 0.478 nan 8.380 nan 0.000 0.487 432 L N 0.846 122.062 121.223 -0.013 0.000 2.325 432 L HA 0.530 4.872 4.340 0.003 0.000 0.278 432 L C 0.199 177.214 176.870 0.242 0.000 1.023 432 L CA -0.867 53.975 54.840 0.004 0.000 0.811 432 L CB 1.688 43.622 42.059 -0.209 0.000 1.249 432 L HN 0.450 nan 8.230 nan 0.000 0.431 433 T N 0.565 115.270 114.554 0.252 0.000 2.882 433 T HA 0.285 4.637 4.350 0.003 0.000 0.287 433 T C 0.709 175.533 174.700 0.207 0.000 0.992 433 T CA 0.202 62.455 62.100 0.254 0.000 1.076 433 T CB 1.668 70.623 68.868 0.145 0.000 0.961 433 T HN 0.877 nan 8.240 nan 0.000 0.490 434 S N 1.193 116.931 115.700 0.064 0.000 4.157 434 S HA -0.303 4.169 4.470 0.003 0.000 0.538 434 S C 0.322 174.612 174.600 -0.517 0.000 1.820 434 S CA 1.461 59.539 58.200 -0.203 0.000 4.198 434 S CB -1.462 61.715 63.200 -0.039 0.000 0.638 434 S HN 0.993 nan 8.310 nan 0.000 0.457 435 H N 0.686 119.616 119.070 -0.233 0.000 2.457 435 H HA 0.539 5.096 4.556 0.003 0.000 0.335 435 H C -0.701 174.708 175.328 0.136 0.000 1.115 435 H CA 0.151 56.114 56.048 -0.141 0.000 1.219 435 H CB 1.186 30.900 29.762 -0.079 0.000 1.471 435 H HN 0.612 nan 8.280 nan 0.000 0.491 436 W N 3.145 124.084 121.300 -0.602 0.000 3.066 436 W HA 0.418 5.079 4.660 0.003 0.000 0.330 436 W C -1.719 174.579 176.519 -0.369 0.000 1.253 436 W CA -0.383 56.797 57.345 -0.275 0.000 1.187 436 W CB 1.469 30.939 29.460 0.016 0.000 1.434 436 W HN 0.551 nan 8.180 nan 0.000 0.572 437 S N 2.565 117.492 115.700 -1.288 0.000 2.563 437 S HA 0.479 4.951 4.470 0.003 0.000 0.279 437 S C -1.962 171.645 174.600 -1.655 0.000 1.155 437 S CA -0.527 57.004 58.200 -1.116 0.000 0.928 437 S CB 1.327 64.217 63.200 -0.517 0.000 1.107 437 S HN 0.564 nan 8.310 nan 0.000 0.462 438 E N 2.589 122.072 120.200 -1.194 0.000 2.343 438 E HA 0.405 4.757 4.350 0.003 0.000 0.286 438 E C -1.425 175.029 176.600 -0.244 0.000 0.915 438 E CA -0.509 55.516 56.400 -0.625 0.000 0.784 438 E CB 1.687 31.191 29.700 -0.328 0.000 1.251 438 E HN 0.549 nan 8.360 nan 0.000 0.407 439 T N 4.472 118.930 114.554 -0.159 0.000 2.845 439 T HA 0.457 4.809 4.350 0.003 0.000 0.288 439 T C -0.051 174.606 174.700 -0.072 0.000 0.980 439 T CA -0.328 61.706 62.100 -0.110 0.000 1.071 439 T CB 0.555 69.371 68.868 -0.088 0.000 0.941 439 T HN 0.432 nan 8.240 nan 0.000 0.487 440 I N 2.078 122.582 120.570 -0.109 0.000 2.569 440 I HA 0.320 4.491 4.170 0.003 0.000 0.296 440 I C -0.770 175.281 176.117 -0.109 0.000 1.028 440 I CA -0.880 60.363 61.300 -0.094 0.000 1.082 440 I CB 1.795 39.673 38.000 -0.204 0.000 1.264 440 I HN 0.378 nan 8.210 nan 0.000 0.429 441 Q N 7.780 127.541 119.800 -0.066 0.000 2.506 441 Q HA 0.377 4.718 4.340 0.003 0.000 0.242 441 Q C -0.760 175.155 176.000 -0.143 0.000 1.060 441 Q CA -0.694 55.060 55.803 -0.081 0.000 0.826 441 Q CB 1.323 30.052 28.738 -0.015 0.000 1.169 441 Q HN 0.439 nan 8.270 nan 0.000 0.521 442 I N 3.963 124.355 120.570 -0.296 0.000 2.471 442 I HA 0.196 4.367 4.170 0.003 0.000 0.286 442 I C -1.998 173.974 176.117 -0.242 0.000 1.079 442 I CA -2.339 58.675 61.300 -0.478 0.000 1.398 442 I CB -0.064 37.494 38.000 -0.737 0.000 1.403 442 I HN 0.079 nan 8.210 nan 0.000 0.530 443 P HA 0.106 nan 4.420 nan 0.000 0.271 443 P C 1.086 178.349 177.300 -0.062 0.000 1.233 443 P CA -0.116 62.957 63.100 -0.044 0.000 0.789 443 P CB 0.672 32.377 31.700 0.009 0.000 0.951 444 G N 1.296 110.106 108.800 0.017 0.000 2.422 444 G HA2 -0.222 3.739 3.960 0.003 0.000 0.218 444 G HA3 -0.222 3.739 3.960 0.003 0.000 0.218 444 G C 0.774 175.637 174.900 -0.062 0.000 1.140 444 G CA 0.493 45.642 45.100 0.083 0.000 0.775 444 G HN 0.748 nan 8.290 nan 0.000 0.545 445 N N 0.179 118.645 118.700 -0.390 0.000 2.466 445 N HA 0.440 5.182 4.740 0.003 0.000 0.211 445 N C 0.350 175.702 175.510 -0.263 0.000 1.256 445 N CA 0.308 52.883 53.050 -0.793 0.000 0.840 445 N CB 0.345 37.758 38.487 -1.790 0.000 1.079 445 N HN 0.298 nan 8.380 nan 0.000 0.466 446 A N 0.483 123.239 122.820 -0.106 0.000 2.354 446 A HA 0.860 5.181 4.320 0.003 0.000 0.321 446 A C -0.129 177.460 177.584 0.008 0.000 1.125 446 A CA -0.772 51.280 52.037 0.025 0.000 0.799 446 A CB 1.369 20.340 19.000 -0.047 0.000 1.293 446 A HN 0.397 nan 8.150 nan 0.000 0.452 447 R N -0.387 120.121 120.500 0.013 0.000 2.741 447 R HA 0.421 4.763 4.340 0.003 0.000 0.274 447 R C -1.209 175.017 176.300 -0.124 0.000 1.029 447 R CA -0.934 55.127 56.100 -0.064 0.000 0.880 447 R CB 0.871 31.146 30.300 -0.041 0.000 1.264 447 R HN 0.732 nan 8.270 nan 0.000 0.465 448 N N 0.663 119.284 118.700 -0.132 0.000 2.708 448 N HA -0.184 4.557 4.740 0.003 0.000 0.255 448 N C -1.207 174.315 175.510 0.019 0.000 1.046 448 N CA 0.494 53.476 53.050 -0.113 0.000 0.715 448 N CB -1.081 37.251 38.487 -0.259 0.000 0.895 448 N HN 0.381 nan 8.380 nan 0.000 0.545 449 L N 0.968 122.221 121.223 0.049 0.000 2.367 449 L HA 0.467 4.809 4.340 0.003 0.000 0.275 449 L C 0.264 177.226 176.870 0.153 0.000 1.129 449 L CA -0.142 54.767 54.840 0.114 0.000 0.839 449 L CB 0.577 42.638 42.059 0.003 0.000 1.133 449 L HN 0.370 nan 8.230 nan 0.000 0.453 450 H N 3.168 122.289 119.070 0.085 0.000 2.759 450 H HA 0.698 5.255 4.556 0.003 0.000 0.354 450 H C -1.646 173.729 175.328 0.078 0.000 1.074 450 H CA -0.685 55.395 56.048 0.053 0.000 1.226 450 H CB 1.725 31.497 29.762 0.017 0.000 1.648 450 H HN 0.472 nan 8.280 nan 0.000 0.529 451 V N 5.431 125.036 119.914 -0.515 0.000 2.448 451 V HA 0.329 4.450 4.120 0.003 0.000 0.295 451 V C -0.486 175.375 176.094 -0.390 0.000 1.025 451 V CA -0.873 61.253 62.300 -0.290 0.000 0.859 451 V CB 1.383 33.150 31.823 -0.093 0.000 0.988 451 V HN 0.817 nan 8.190 nan 0.000 0.431 452 N N 5.703 124.276 118.700 -0.212 0.000 2.504 452 N HA 0.497 5.238 4.740 0.003 0.000 0.280 452 N C -1.118 174.282 175.510 -0.182 0.000 1.052 452 N CA -0.403 52.561 53.050 -0.144 0.000 0.887 452 N CB 1.610 40.075 38.487 -0.036 0.000 1.323 452 N HN 0.761 nan 8.380 nan 0.000 0.509 453 I N -0.102 120.327 120.570 -0.234 0.000 2.465 453 I HA 0.550 4.721 4.170 0.003 0.000 0.291 453 I C -0.658 175.291 176.117 -0.279 0.000 1.014 453 I CA -0.768 60.286 61.300 -0.411 0.000 1.093 453 I CB 1.973 39.535 38.000 -0.730 0.000 1.267 453 I HN 0.251 nan 8.210 nan 0.000 0.431 454 Q N 3.829 123.473 119.800 -0.260 0.000 2.416 454 Q HA 0.518 4.860 4.340 0.003 0.000 0.279 454 Q C -1.064 174.920 176.000 -0.027 0.000 1.101 454 Q CA -0.889 54.833 55.803 -0.136 0.000 0.830 454 Q CB 2.817 31.479 28.738 -0.127 0.000 1.402 454 Q HN 0.647 nan 8.270 nan 0.000 0.445 455 E N 0.907 121.103 120.200 -0.007 0.000 2.248 455 E HA 0.208 4.559 4.350 0.003 0.000 0.267 455 E C -1.427 175.008 176.600 -0.274 0.000 0.877 455 E CA -0.643 55.641 56.400 -0.192 0.000 0.759 455 E CB 1.859 31.097 29.700 -0.771 0.000 1.182 455 E HN 0.741 nan 8.360 nan 0.000 0.418 456 C N 4.110 123.036 119.300 -0.623 0.000 2.585 456 C HA 0.544 5.005 4.460 0.003 0.000 0.406 456 C C 0.117 174.637 174.990 -0.784 0.000 1.312 456 C CA 0.224 58.442 59.018 -1.333 0.000 1.924 456 C CB -0.842 25.929 27.740 -1.615 0.000 2.578 456 C HN 0.657 nan 8.230 nan 0.000 0.580 457 T N 4.375 118.466 114.554 -0.771 0.000 2.940 457 T HA 0.460 4.811 4.350 0.003 0.000 0.288 457 T C 1.112 175.579 174.700 -0.388 0.000 1.033 457 T CA 0.075 61.894 62.100 -0.468 0.000 1.033 457 T CB 1.667 70.297 68.868 -0.397 0.000 1.079 457 T HN 0.831 nan 8.240 nan 0.000 0.496 458 G N 0.879 109.548 108.800 -0.218 0.000 2.776 458 G HA2 0.175 4.136 3.960 0.003 0.000 0.209 458 G HA3 0.175 4.136 3.960 0.003 0.000 0.209 458 G C 0.363 175.218 174.900 -0.076 0.000 1.145 458 G CA 0.105 45.145 45.100 -0.101 0.000 0.791 458 G HN 0.567 nan 8.290 nan 0.000 0.530 459 L N -0.057 121.038 121.223 -0.213 0.000 2.395 459 L HA 0.463 4.805 4.340 0.003 0.000 0.269 459 L C 1.620 178.367 176.870 -0.205 0.000 1.133 459 L CA -0.551 54.056 54.840 -0.389 0.000 0.812 459 L CB 1.466 42.895 42.059 -1.051 0.000 1.125 459 L HN 0.051 nan 8.230 nan 0.000 0.452 460 A N 3.192 125.914 122.820 -0.163 0.000 1.984 460 A HA -0.030 4.292 4.320 0.003 0.000 0.214 460 A C 1.800 179.389 177.584 0.009 0.000 1.173 460 A CA 0.248 52.258 52.037 -0.044 0.000 0.673 460 A CB -0.277 18.743 19.000 0.034 0.000 0.830 460 A HN 0.966 nan 8.150 nan 0.000 0.453 461 W N 0.039 121.367 121.300 0.048 0.000 2.408 461 W HA 0.107 4.768 4.660 0.003 0.000 0.311 461 W C 0.846 177.417 176.519 0.087 0.000 1.190 461 W CA 1.076 58.450 57.345 0.047 0.000 1.321 461 W CB -0.875 28.604 29.460 0.032 0.000 1.143 461 W HN 0.381 nan 8.180 nan 0.000 0.501 462 E N 0.278 120.257 120.200 -0.369 0.000 2.360 462 E HA 0.044 4.396 4.350 0.003 0.000 0.253 462 E C 0.870 177.318 176.600 -0.255 0.000 1.189 462 E CA -0.656 55.586 56.400 -0.263 0.000 1.252 462 E CB -0.402 29.049 29.700 -0.416 0.000 1.408 462 E HN 0.099 nan 8.360 nan 0.000 0.464 463 W N 2.019 123.150 121.300 -0.282 0.000 2.335 463 W HA -0.122 4.540 4.660 0.003 0.000 0.311 463 W C -0.150 176.107 176.519 -0.436 0.000 1.213 463 W CA 0.935 58.075 57.345 -0.342 0.000 1.274 463 W CB 0.072 29.402 29.460 -0.216 0.000 1.148 463 W HN 0.366 nan 8.180 nan 0.000 0.498 464 W N 1.062 122.320 121.300 -0.070 0.000 2.478 464 W HA 0.382 5.043 4.660 0.003 0.000 0.318 464 W C 0.167 176.585 176.519 -0.168 0.000 1.062 464 W CA -1.020 56.204 57.345 -0.201 0.000 1.210 464 W CB 0.871 30.245 29.460 -0.143 0.000 1.325 464 W HN -0.506 nan 8.180 nan 0.000 0.496 465 R N 2.484 123.010 120.500 0.043 0.000 2.360 465 R HA 0.293 4.635 4.340 0.003 0.000 0.318 465 R C -0.071 176.211 176.300 -0.030 0.000 0.950 465 R CA -0.469 55.612 56.100 -0.031 0.000 0.837 465 R CB 1.396 31.619 30.300 -0.129 0.000 1.165 465 R HN 0.421 nan 8.270 nan 0.000 0.458 466 T N 2.632 117.168 114.554 -0.030 0.000 2.867 466 T HA 0.070 4.421 4.350 0.003 0.000 0.297 466 T C 0.921 175.558 174.700 -0.104 0.000 0.989 466 T CA -0.187 61.871 62.100 -0.070 0.000 1.159 466 T CB 0.689 69.518 68.868 -0.066 0.000 0.928 466 T HN 0.443 nan 8.240 nan 0.000 0.538 467 V N 4.909 124.744 119.914 -0.131 0.000 2.922 467 V HA 0.299 4.420 4.120 0.003 0.000 0.242 467 V C 0.048 176.058 176.094 -0.141 0.000 1.094 467 V CA 0.348 62.564 62.300 -0.138 0.000 1.106 467 V CB -0.195 31.532 31.823 -0.159 0.000 0.799 467 V HN 0.906 nan 8.190 nan 0.000 0.474 468 Y N -0.085 120.015 120.300 -0.333 0.000 2.482 468 Y HA 0.588 5.140 4.550 0.003 0.000 0.334 468 Y C -1.949 173.750 175.900 -0.336 0.000 1.091 468 Y CA -1.033 56.801 58.100 -0.443 0.000 1.027 468 Y CB 2.189 40.302 38.460 -0.579 0.000 1.306 468 Y HN 0.130 nan 8.280 nan 0.000 0.446 469 D N 4.718 124.744 120.400 -0.622 0.000 2.354 469 D HA 0.361 5.002 4.640 0.003 0.000 0.230 469 D C -1.859 174.176 176.300 -0.441 0.000 1.361 469 D CA -0.354 53.424 54.000 -0.371 0.000 0.992 469 D CB 0.768 41.475 40.800 -0.154 0.000 1.409 469 D HN 0.540 nan 8.370 nan 0.000 0.573 470 K N 2.084 122.204 120.400 -0.466 0.000 2.527 470 K HA 0.394 4.716 4.320 0.003 0.000 0.260 470 K C -1.454 175.108 176.600 -0.063 0.000 0.937 470 K CA -1.029 55.106 56.287 -0.254 0.000 0.826 470 K CB 1.760 34.047 32.500 -0.355 0.000 1.359 470 K HN 0.185 nan 8.250 nan 0.000 0.434 471 D N 2.510 122.992 120.400 0.137 0.000 2.312 471 D HA 0.259 4.900 4.640 0.003 0.000 0.252 471 D C -0.469 175.867 176.300 0.059 0.000 1.150 471 D CA 0.085 54.183 54.000 0.163 0.000 0.870 471 D CB 0.698 41.562 40.800 0.107 0.000 1.153 471 D HN 0.228 nan 8.370 nan 0.000 0.457 472 L N 3.781 125.034 121.223 0.049 0.000 2.346 472 L HA 0.411 4.753 4.340 0.003 0.000 0.276 472 L C -2.272 174.605 176.870 0.011 0.000 1.006 472 L CA -2.070 52.788 54.840 0.029 0.000 0.817 472 L CB 2.011 44.084 42.059 0.023 0.000 1.272 472 L HN 0.038 nan 8.230 nan 0.000 0.421 473 P HA 0.106 nan 4.420 nan 0.000 0.271 473 P C -0.285 177.006 177.300 -0.015 0.000 1.216 473 P CA -0.212 62.889 63.100 0.003 0.000 0.776 473 P CB 0.556 32.263 31.700 0.013 0.000 0.881 474 L N 2.827 124.035 121.223 -0.025 0.000 2.511 474 L HA 0.097 4.439 4.340 0.003 0.000 0.239 474 L C 0.848 177.701 176.870 -0.028 0.000 1.400 474 L CA -0.344 54.466 54.840 -0.050 0.000 1.226 474 L CB -0.507 41.513 42.059 -0.066 0.000 1.475 474 L HN 0.232 nan 8.230 nan 0.000 0.428 475 V N 1.136 121.037 119.914 -0.022 0.000 3.376 475 V HA 0.189 4.311 4.120 0.003 0.000 0.303 475 V C 1.680 177.762 176.094 -0.019 0.000 1.100 475 V CA 0.830 63.124 62.300 -0.009 0.000 1.126 475 V CB 1.568 33.390 31.823 -0.002 0.000 1.085 475 V HN 0.657 nan 8.190 nan 0.000 0.480 476 G N 2.232 111.028 108.800 -0.007 0.000 2.679 476 G HA2 -0.224 3.738 3.960 0.003 0.000 0.217 476 G HA3 -0.224 3.738 3.960 0.003 0.000 0.217 476 G C 0.553 175.438 174.900 -0.024 0.000 1.267 476 G CA 1.376 46.471 45.100 -0.009 0.000 0.799 476 G HN 0.793 nan 8.290 nan 0.000 0.606 477 Q N -1.007 118.780 119.800 -0.021 0.000 2.337 477 Q HA 0.623 4.964 4.340 0.003 0.000 0.270 477 Q C -0.752 175.232 176.000 -0.027 0.000 1.043 477 Q CA -0.742 55.043 55.803 -0.030 0.000 0.794 477 Q CB 1.635 30.359 28.738 -0.023 0.000 1.281 477 Q HN 0.422 nan 8.270 nan 0.000 0.446 478 R N 2.518 122.994 120.500 -0.040 0.000 2.538 478 R HA 0.501 4.842 4.340 0.003 0.000 0.292 478 R C -1.579 174.697 176.300 -0.039 0.000 1.008 478 R CA -0.652 55.429 56.100 -0.032 0.000 0.896 478 R CB 1.278 31.558 30.300 -0.034 0.000 1.187 478 R HN 0.536 nan 8.270 nan 0.000 0.440 479 K N 5.815 126.203 120.400 -0.020 0.000 2.235 479 K HA 0.396 4.718 4.320 0.003 0.000 0.266 479 K C -1.028 175.570 176.600 -0.002 0.000 0.980 479 K CA -0.595 55.683 56.287 -0.015 0.000 0.849 479 K CB 0.975 33.473 32.500 -0.004 0.000 1.098 479 K HN 0.603 nan 8.250 nan 0.000 0.445 480 I N 4.070 124.632 120.570 -0.013 0.000 2.382 480 I HA 0.155 4.326 4.170 0.003 0.000 0.286 480 I C -0.242 175.921 176.117 0.076 0.000 1.002 480 I CA -0.774 60.511 61.300 -0.024 0.000 1.135 480 I CB 1.892 39.780 38.000 -0.187 0.000 1.288 480 I HN 0.616 nan 8.210 nan 0.000 0.448 481 T N 5.422 120.072 114.554 0.159 0.000 2.809 481 T HA 0.626 4.978 4.350 0.003 0.000 0.296 481 T C -0.251 174.685 174.700 0.394 0.000 1.015 481 T CA -0.699 61.560 62.100 0.265 0.000 0.954 481 T CB 0.740 69.759 68.868 0.251 0.000 0.950 481 T HN 0.465 nan 8.240 nan 0.000 0.450 482 I N 1.534 122.319 120.570 0.359 0.000 2.677 482 I HA 0.998 5.170 4.170 0.003 0.000 0.305 482 I C -0.574 175.854 176.117 0.518 0.000 0.988 482 I CA -1.017 60.491 61.300 0.347 0.000 1.260 482 I CB 1.083 39.250 38.000 0.280 0.000 1.410 482 I HN 0.982 nan 8.210 nan 0.000 0.523 483 W N 3.267 124.710 121.300 0.239 0.000 3.064 483 W HA 0.709 5.370 4.660 0.003 0.000 0.328 483 W C -0.608 176.022 176.519 0.186 0.000 1.210 483 W CA 0.021 57.456 57.345 0.151 0.000 1.178 483 W CB -0.229 29.283 29.460 0.087 0.000 1.416 483 W HN 1.176 nan 8.180 nan 0.000 0.568 484 G N 0.328 109.331 108.800 0.338 0.000 2.337 484 G HA2 0.386 4.347 3.960 0.003 0.000 0.197 484 G HA3 0.386 4.347 3.960 0.003 0.000 0.197 484 G C -0.602 174.481 174.900 0.305 0.000 1.238 484 G CA -0.121 45.144 45.100 0.274 0.000 1.119 484 G HN 1.531 nan 8.290 nan 0.000 0.514 485 T N -1.593 113.135 114.554 0.290 0.000 2.929 485 T HA 0.553 4.904 4.350 0.003 0.000 0.284 485 T C 1.761 176.625 174.700 0.273 0.000 1.014 485 T CA 1.248 63.519 62.100 0.285 0.000 1.051 485 T CB 1.408 70.401 68.868 0.208 0.000 1.028 485 T HN 1.554 nan 8.240 nan 0.000 0.485 486 T N 2.569 117.265 114.554 0.238 0.000 2.788 486 T HA -0.024 4.327 4.350 0.003 0.000 0.268 486 T C 1.798 176.479 174.700 -0.031 0.000 1.044 486 T CA 1.458 63.578 62.100 0.034 0.000 1.139 486 T CB -0.529 68.350 68.868 0.018 0.000 0.867 486 T HN 0.558 nan 8.240 nan 0.000 0.454 487 L N -0.935 120.319 121.223 0.053 0.000 2.552 487 L HA 0.218 4.560 4.340 0.003 0.000 0.227 487 L C 0.033 177.005 176.870 0.170 0.000 1.146 487 L CA 0.312 55.195 54.840 0.072 0.000 0.858 487 L CB 0.068 42.175 42.059 0.081 0.000 0.969 487 L HN 0.330 nan 8.230 nan 0.000 0.451 488 Y N 0.165 120.457 120.300 -0.012 0.000 2.283 488 Y HA 0.323 4.875 4.550 0.003 0.000 0.329 488 Y C -2.893 172.992 175.900 -0.025 0.000 1.181 488 Y CA -2.432 55.655 58.100 -0.022 0.000 1.283 488 Y CB 1.206 39.665 38.460 -0.000 0.000 1.186 488 Y HN -0.176 nan 8.280 nan 0.000 0.436 489 P HA 0.383 nan 4.420 nan 0.000 0.285 489 P C -1.444 175.481 177.300 -0.626 0.000 1.259 489 P CA -0.203 62.684 63.100 -0.356 0.000 0.794 489 P CB 1.188 32.678 31.700 -0.349 0.000 0.940 490 Q N 2.060 121.453 119.800 -0.678 0.000 2.337 490 Q HA 0.476 4.818 4.340 0.003 0.000 0.270 490 Q C -0.912 174.479 176.000 -1.015 0.000 1.043 490 Q CA -0.826 54.391 55.803 -0.977 0.000 0.794 490 Q CB 1.950 29.910 28.738 -1.297 0.000 1.281 490 Q HN 0.517 nan 8.270 nan 0.000 0.446 491 Y N -0.209 119.706 120.300 -0.641 0.000 2.631 491 Y HA 0.924 5.475 4.550 0.003 0.000 0.328 491 Y C -1.149 174.714 175.900 -0.062 0.000 1.118 491 Y CA -1.435 56.490 58.100 -0.291 0.000 1.206 491 Y CB 1.453 39.856 38.460 -0.095 0.000 1.337 491 Y HN 0.573 nan 8.280 nan 0.000 0.515 492 A N 2.025 125.026 122.820 0.303 0.000 2.466 492 A HA 0.381 4.703 4.320 0.003 0.000 0.284 492 A C -2.151 175.597 177.584 0.274 0.000 1.049 492 A CA -0.562 51.635 52.037 0.267 0.000 0.760 492 A CB 0.852 20.104 19.000 0.419 0.000 1.274 492 A HN 0.742 nan 8.150 nan 0.000 0.412 493 D N 2.519 123.089 120.400 0.283 0.000 2.427 493 D HA 0.455 5.097 4.640 0.003 0.000 0.226 493 D C -0.268 176.110 176.300 0.131 0.000 1.076 493 D CA 0.286 54.404 54.000 0.196 0.000 0.849 493 D CB 0.760 41.747 40.800 0.311 0.000 1.052 493 D HN 0.544 nan 8.370 nan 0.000 0.515 494 E N 1.381 121.629 120.200 0.079 0.000 2.256 494 E HA 0.524 4.876 4.350 0.003 0.000 0.267 494 E C -1.161 175.459 176.600 0.033 0.000 0.892 494 E CA -1.257 55.177 56.400 0.056 0.000 0.775 494 E CB 3.046 32.774 29.700 0.045 0.000 1.207 494 E HN 0.190 nan 8.360 nan 0.000 0.420 495 V N 3.593 123.525 119.914 0.029 0.000 2.540 495 V HA 0.535 4.656 4.120 0.003 0.000 0.302 495 V C -1.292 174.809 176.094 0.012 0.000 1.035 495 V CA -0.389 61.921 62.300 0.017 0.000 0.873 495 V CB 0.980 32.816 31.823 0.022 0.000 0.992 495 V HN 0.529 nan 8.190 nan 0.000 0.428 496 I N 4.745 125.317 120.570 0.004 0.000 3.264 496 I HA 0.649 4.821 4.170 0.003 0.000 0.309 496 I C 0.271 176.389 176.117 0.002 0.000 1.099 496 I CA -0.435 60.867 61.300 0.002 0.000 0.989 496 I CB 1.827 39.825 38.000 -0.004 0.000 1.250 496 I HN 0.641 nan 8.210 nan 0.000 0.478 497 E N 0.812 121.013 120.200 0.003 0.000 2.518 497 E HA 0.792 5.144 4.350 0.003 0.000 0.241 497 E C -1.170 175.432 176.600 0.003 0.000 0.899 497 E CA -0.872 55.531 56.400 0.005 0.000 0.888 497 E CB 2.326 32.032 29.700 0.009 0.000 1.426 497 E HN 0.509 nan 8.360 nan 0.000 0.401 498 L N -2.801 118.427 121.223 0.007 0.000 2.332 498 L HA 0.660 5.002 4.340 0.003 0.000 0.242 498 L C -0.851 176.025 176.870 0.009 0.000 1.127 498 L CA -0.932 53.912 54.840 0.007 0.000 0.948 498 L CB 1.453 43.517 42.059 0.008 0.000 1.553 498 L HN 0.605 nan 8.230 nan 0.000 0.419 499 E N 0.000 120.205 120.200 0.009 0.000 2.725 499 E HA 0.000 4.352 4.350 0.003 0.000 0.291 499 E CA 0.000 56.405 56.400 0.009 0.000 0.976 499 E CB 0.000 29.708 29.700 0.013 0.000 0.812 499 E HN 0.000 nan 8.360 nan 0.000 0.440