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 2bxs_1_A DATA FIRST_RESID 12 DATA SEQUENCE HMFDVVVIGG GISGLSAAKL LTEYGVSVLV LEARDRVGGR TYTIRNEHVD DATA SEQUENCE YVDVGGAYVG PTQNRILRLS KELGIETYKV NVSERLVQYV KGKTYPFRGX DATA SEQUENCE XXXXWNPIAY LDYNNLWRTI DNMGKEIPTD APWEAQHADK WDKMTMKELI DATA SEQUENCE DKICWTKTAR RFAYLFVNIN VTSEPHEVSA LWFLWYVKQC GGTTRIFSVT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDQVKLN HPVTHVDQSS DNIIIETLNH DATA SEQUENCE EHYECKYVIN AIPPTLTAKI HFRPELPAER NQLIQRLPMG AVIKCMMYYK DATA SEQUENCE EAFWKKKDYC GCMIIEDEDA PISITLDDTK PDGSLPAIMG FILARKADRL DATA SEQUENCE AKLHKEIRKK KICELYAKVL GSQEALHPVH YEEKNWCEEQ YSGGCYTAYF DATA SEQUENCE PPGIMTQYGR VIRQPVGRIF FAGTETATKW SGYMEGAVEA GERAAREVLN DATA SEQUENCE GLGKVTEKDI WVQEPESKDV PAVEITHTFW ERNLPSVSGL LKIIG 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.582 175.328 0.424 0.000 0.993 12 H CA 0.000 56.274 56.048 0.376 0.000 1.023 12 H CB 0.000 29.874 29.762 0.187 0.000 1.292 13 M N 0.667 120.489 119.600 0.369 0.000 2.457 13 M HA 0.710 5.190 4.480 0.000 0.000 0.300 13 M C -2.094 174.210 176.300 0.007 0.000 1.141 13 M CA -0.454 55.028 55.300 0.303 0.000 0.901 13 M CB 1.992 34.712 32.600 0.200 0.000 1.687 13 M HN 0.071 nan 8.290 nan 0.000 0.449 14 F N 0.338 120.352 119.950 0.106 0.000 2.869 14 F HA 0.434 4.961 4.527 0.000 0.000 0.325 14 F C 0.500 176.352 175.800 0.087 0.000 1.184 14 F CA -0.656 57.390 58.000 0.075 0.000 0.951 14 F CB 1.218 40.251 39.000 0.055 0.000 1.421 14 F HN 0.582 nan 8.300 nan 0.000 0.501 15 D N -0.160 120.418 120.400 0.298 0.000 2.144 15 D HA 0.065 4.705 4.640 0.000 0.000 0.207 15 D C -0.457 176.003 176.300 0.266 0.000 0.970 15 D CA 1.533 55.669 54.000 0.227 0.000 0.853 15 D CB 0.815 41.716 40.800 0.169 0.000 1.007 15 D HN 0.085 nan 8.370 nan 0.000 0.469 16 V N 0.921 120.977 119.914 0.238 0.000 2.711 16 V HA 0.365 4.486 4.120 0.000 0.000 0.304 16 V C -0.987 175.176 176.094 0.115 0.000 1.097 16 V CA -0.661 61.763 62.300 0.208 0.000 0.906 16 V CB 1.925 33.840 31.823 0.153 0.000 1.015 16 V HN -0.206 nan 8.190 nan 0.000 0.427 17 V N 6.412 126.383 119.914 0.095 0.000 2.743 17 V HA 0.609 4.729 4.120 0.000 0.000 0.301 17 V C -0.126 175.977 176.094 0.015 0.000 1.057 17 V CA -0.356 61.936 62.300 -0.013 0.000 1.006 17 V CB 1.890 33.709 31.823 -0.007 0.000 1.024 17 V HN 0.749 nan 8.190 nan 0.000 0.473 18 V N 4.711 124.601 119.914 -0.039 0.000 2.444 18 V HA 0.452 4.572 4.120 0.000 0.000 0.294 18 V C -0.307 175.780 176.094 -0.011 0.000 1.022 18 V CA -0.412 61.891 62.300 0.005 0.000 0.850 18 V CB 1.701 33.519 31.823 -0.009 0.000 0.992 18 V HN 0.653 nan 8.190 nan 0.000 0.426 19 I N 5.037 125.631 120.570 0.040 0.000 2.281 19 I HA 0.678 4.848 4.170 0.000 0.000 0.293 19 I C 0.813 176.952 176.117 0.035 0.000 1.085 19 I CA 0.385 61.701 61.300 0.028 0.000 1.257 19 I CB 0.635 38.670 38.000 0.057 0.000 1.430 19 I HN 0.878 nan 8.210 nan 0.000 0.489 20 G N 3.707 112.508 108.800 0.002 0.000 2.742 20 G HA2 0.161 4.121 3.960 0.000 0.000 0.686 20 G HA3 0.161 4.121 3.960 0.000 0.000 0.686 20 G C -0.203 174.699 174.900 0.004 0.000 1.220 20 G CA -0.518 44.588 45.100 0.011 0.000 0.783 20 G HN 0.874 nan 8.290 nan 0.000 0.646 21 G N 0.263 109.062 108.800 -0.001 0.000 4.637 21 G HA2 0.721 4.681 3.960 0.000 0.000 0.294 21 G HA3 0.721 4.681 3.960 0.000 0.000 0.294 21 G C 0.670 175.580 174.900 0.017 0.000 1.215 21 G CA 0.990 46.088 45.100 -0.003 0.000 0.943 21 G HN 1.373 nan 8.290 nan 0.000 0.572 22 G N -0.222 108.600 108.800 0.037 0.000 2.557 22 G HA2 0.387 4.347 3.960 0.000 0.000 0.292 22 G HA3 0.387 4.347 3.960 0.000 0.000 0.292 22 G C 1.275 176.205 174.900 0.050 0.000 1.237 22 G CA -0.870 44.262 45.100 0.053 0.000 0.978 22 G HN 0.167 nan 8.290 nan 0.000 0.498 23 I N -0.327 120.279 120.570 0.059 0.000 2.462 23 I HA -0.240 3.930 4.170 0.000 0.000 0.259 23 I C 2.632 178.780 176.117 0.051 0.000 1.156 23 I CA 1.201 62.534 61.300 0.055 0.000 1.417 23 I CB -0.174 37.868 38.000 0.070 0.000 1.088 23 I HN 0.380 nan 8.210 nan 0.000 0.442 24 S N 0.441 116.177 115.700 0.060 0.000 2.297 24 S HA 0.057 4.527 4.470 0.000 0.000 0.200 24 S C 2.105 176.733 174.600 0.046 0.000 1.011 24 S CA 0.894 59.131 58.200 0.062 0.000 0.938 24 S CB -0.564 62.688 63.200 0.086 0.000 0.924 24 S HN 0.494 nan 8.310 nan 0.000 0.504 25 G N 1.976 110.806 108.800 0.050 0.000 2.550 25 G HA2 -0.217 3.743 3.960 0.000 0.000 0.222 25 G HA3 -0.217 3.743 3.960 0.000 0.000 0.222 25 G C 1.304 176.212 174.900 0.014 0.000 1.113 25 G CA 1.059 46.180 45.100 0.035 0.000 0.748 25 G HN 0.462 nan 8.290 nan 0.000 0.585 26 L N 0.018 121.249 121.223 0.014 0.000 2.131 26 L HA -0.002 4.338 4.340 0.000 0.000 0.206 26 L C 3.120 179.992 176.870 0.004 0.000 1.087 26 L CA 0.944 55.786 54.840 0.003 0.000 0.767 26 L CB -0.393 41.669 42.059 0.004 0.000 0.917 26 L HN 0.194 nan 8.230 nan 0.000 0.441 27 S N -0.106 115.601 115.700 0.011 0.000 2.382 27 S HA -0.164 4.306 4.470 0.000 0.000 0.228 27 S C 2.114 176.713 174.600 -0.001 0.000 1.027 27 S CA 1.309 59.514 58.200 0.007 0.000 0.991 27 S CB -0.104 63.106 63.200 0.015 0.000 0.823 27 S HN 0.490 nan 8.310 nan 0.000 0.469 28 A N 1.234 124.050 122.820 -0.005 0.000 1.897 28 A HA 0.216 4.536 4.320 0.000 0.000 0.215 28 A C 2.338 179.911 177.584 -0.019 0.000 1.181 28 A CA 1.542 53.565 52.037 -0.024 0.000 0.620 28 A CB -1.060 17.924 19.000 -0.027 0.000 0.821 28 A HN 0.512 nan 8.150 nan 0.000 0.443 29 A N 0.101 122.914 122.820 -0.011 0.000 1.908 29 A HA -0.232 4.089 4.320 0.000 0.000 0.218 29 A C 2.151 179.738 177.584 0.004 0.000 1.181 29 A CA 2.155 54.187 52.037 -0.009 0.000 0.627 29 A CB -0.496 18.494 19.000 -0.018 0.000 0.818 29 A HN 0.559 nan 8.150 nan 0.000 0.445 30 K N -1.073 119.329 120.400 0.004 0.000 2.097 30 K HA -0.101 4.219 4.320 0.000 0.000 0.205 30 K C 1.869 178.487 176.600 0.030 0.000 1.050 30 K CA 1.380 57.673 56.287 0.010 0.000 0.938 30 K CB -0.216 32.285 32.500 0.001 0.000 0.718 30 K HN 0.332 nan 8.250 nan 0.000 0.442 31 L N 1.339 122.584 121.223 0.036 0.000 2.068 31 L HA -0.034 4.306 4.340 0.000 0.000 0.204 31 L C 1.950 178.911 176.870 0.152 0.000 1.076 31 L CA 1.329 56.221 54.840 0.087 0.000 0.753 31 L CB -0.350 41.736 42.059 0.046 0.000 0.910 31 L HN 0.169 nan 8.230 nan 0.000 0.439 32 L N -1.238 120.016 121.223 0.053 0.000 2.079 32 L HA -0.242 4.098 4.340 0.000 0.000 0.210 32 L C 2.321 179.253 176.870 0.104 0.000 1.081 32 L CA 1.655 56.521 54.840 0.043 0.000 0.752 32 L CB -1.134 40.914 42.059 -0.019 0.000 0.896 32 L HN 0.259 nan 8.230 nan 0.000 0.433 33 T N -1.105 113.494 114.554 0.076 0.000 2.643 33 T HA -0.162 4.188 4.350 0.000 0.000 0.264 33 T C 1.735 176.467 174.700 0.053 0.000 1.045 33 T CA 1.176 63.311 62.100 0.058 0.000 1.155 33 T CB -0.156 68.732 68.868 0.032 0.000 0.863 33 T HN 0.272 nan 8.240 nan 0.000 0.420 34 E N 0.480 120.705 120.200 0.043 0.000 2.277 34 E HA -0.205 4.145 4.350 0.000 0.000 0.216 34 E C 1.682 178.196 176.600 -0.144 0.000 1.068 34 E CA 1.765 58.139 56.400 -0.044 0.000 0.866 34 E CB -0.458 29.224 29.700 -0.030 0.000 0.749 34 E HN 0.704 nan 8.360 nan 0.000 0.465 35 Y N -0.996 119.286 120.300 -0.030 0.000 2.500 35 Y HA 0.225 4.775 4.550 0.000 0.000 0.270 35 Y C 1.364 177.251 175.900 -0.022 0.000 1.134 35 Y CA 0.495 58.576 58.100 -0.031 0.000 1.293 35 Y CB 0.841 39.274 38.460 -0.046 0.000 1.063 35 Y HN 0.141 nan 8.280 nan 0.000 0.534 36 G N 1.080 109.935 108.800 0.093 0.000 2.370 36 G HA2 -0.178 3.782 3.960 0.000 0.000 0.268 36 G HA3 -0.178 3.782 3.960 0.000 0.000 0.268 36 G C -0.869 174.073 174.900 0.068 0.000 1.122 36 G CA -0.021 45.112 45.100 0.056 0.000 0.963 36 G HN 0.089 nan 8.290 nan 0.000 0.500 37 V N 0.582 120.542 119.914 0.077 0.000 2.555 37 V HA 0.705 4.825 4.120 0.000 0.000 0.302 37 V C 1.089 177.233 176.094 0.083 0.000 1.038 37 V CA -0.108 62.232 62.300 0.067 0.000 0.887 37 V CB 1.913 33.763 31.823 0.045 0.000 0.991 37 V HN 1.182 nan 8.190 nan 0.000 0.434 38 S N 5.259 121.019 115.700 0.100 0.000 2.589 38 S HA 0.216 4.686 4.470 0.000 0.000 0.306 38 S C -0.339 174.414 174.600 0.256 0.000 1.221 38 S CA -0.348 57.953 58.200 0.170 0.000 1.159 38 S CB -0.340 62.931 63.200 0.119 0.000 0.990 38 S HN 0.525 nan 8.310 nan 0.000 0.514 39 V N 5.229 125.271 119.914 0.214 0.000 2.850 39 V HA 0.795 4.915 4.120 0.000 0.000 0.315 39 V C -0.146 175.939 176.094 -0.014 0.000 1.064 39 V CA -1.063 61.298 62.300 0.101 0.000 0.979 39 V CB 1.462 33.306 31.823 0.034 0.000 1.039 39 V HN 0.858 nan 8.190 nan 0.000 0.452 40 L N 2.899 123.973 121.223 -0.248 0.000 2.543 40 L HA 0.694 5.034 4.340 0.000 0.000 0.265 40 L C -1.299 175.339 176.870 -0.386 0.000 0.945 40 L CA -0.046 54.454 54.840 -0.565 0.000 0.869 40 L CB 2.092 43.316 42.059 -1.392 0.000 1.294 40 L HN 0.429 nan 8.230 nan 0.000 0.405 41 V N 6.327 126.050 119.914 -0.318 0.000 2.376 41 V HA 0.457 4.577 4.120 0.000 0.000 0.287 41 V C -0.264 175.688 176.094 -0.236 0.000 1.015 41 V CA -0.395 61.776 62.300 -0.215 0.000 0.834 41 V CB 1.458 33.205 31.823 -0.127 0.000 1.001 41 V HN 0.620 nan 8.190 nan 0.000 0.428 42 L N 4.592 125.677 121.223 -0.230 0.000 2.264 42 L HA 0.695 5.035 4.340 0.000 0.000 0.289 42 L C -0.004 176.813 176.870 -0.088 0.000 1.044 42 L CA -0.246 54.482 54.840 -0.187 0.000 0.807 42 L CB 1.148 43.088 42.059 -0.197 0.000 1.192 42 L HN 0.665 nan 8.230 nan 0.000 0.425 43 E N 2.371 122.530 120.200 -0.068 0.000 2.238 43 E HA 0.597 4.947 4.350 0.000 0.000 0.267 43 E C 0.113 176.643 176.600 -0.117 0.000 0.887 43 E CA -0.357 55.994 56.400 -0.081 0.000 0.769 43 E CB 2.124 31.779 29.700 -0.076 0.000 1.187 43 E HN 0.563 nan 8.360 nan 0.000 0.416 44 A N 4.483 127.153 122.820 -0.250 0.000 1.970 44 A HA 0.105 4.425 4.320 0.000 0.000 0.216 44 A C 1.075 178.368 177.584 -0.484 0.000 1.170 44 A CA 0.516 52.289 52.037 -0.440 0.000 0.645 44 A CB -0.213 18.264 19.000 -0.871 0.000 0.816 44 A HN 0.618 nan 8.150 nan 0.000 0.447 45 R N 0.480 120.722 120.500 -0.430 0.000 2.840 45 R HA 0.097 4.437 4.340 0.000 0.000 0.282 45 R C 0.754 176.959 176.300 -0.159 0.000 1.133 45 R CA 0.350 56.279 56.100 -0.285 0.000 1.208 45 R CB 0.113 30.290 30.300 -0.205 0.000 1.160 45 R HN 0.550 nan 8.270 nan 0.000 0.576 46 D N 0.506 120.837 120.400 -0.114 0.000 2.234 46 D HA -0.105 4.536 4.640 0.000 0.000 0.205 46 D C 0.465 176.729 176.300 -0.059 0.000 0.962 46 D CA 0.951 54.910 54.000 -0.068 0.000 0.855 46 D CB 0.082 40.854 40.800 -0.047 0.000 0.951 46 D HN 0.421 nan 8.370 nan 0.000 0.500 47 R N 0.393 120.844 120.500 -0.083 0.000 2.902 47 R HA 0.583 4.923 4.340 0.000 0.000 0.258 47 R C -0.253 176.016 176.300 -0.052 0.000 1.071 47 R CA -1.106 54.958 56.100 -0.060 0.000 1.024 47 R CB 1.984 32.234 30.300 -0.084 0.000 1.184 47 R HN -0.060 nan 8.270 nan 0.000 0.492 48 V N -1.704 118.199 119.914 -0.018 0.000 2.732 48 V HA 0.849 4.969 4.120 0.000 0.000 0.310 48 V C 0.535 176.645 176.094 0.027 0.000 1.053 48 V CA 0.382 62.679 62.300 -0.005 0.000 0.957 48 V CB 0.973 32.795 31.823 -0.002 0.000 1.018 48 V HN 1.129 nan 8.190 nan 0.000 0.452 49 G N 0.933 109.759 108.800 0.044 0.000 2.551 49 G HA2 0.250 4.210 3.960 0.000 0.000 0.186 49 G HA3 0.250 4.210 3.960 0.000 0.000 0.186 49 G C 1.380 176.347 174.900 0.112 0.000 1.002 49 G CA 0.539 45.693 45.100 0.090 0.000 0.723 49 G HN 2.454 nan 8.290 nan 0.000 0.481 50 G N 0.740 109.598 108.800 0.097 0.000 2.632 50 G HA2 -0.395 3.565 3.960 0.000 0.000 0.322 50 G HA3 -0.395 3.565 3.960 0.000 0.000 0.322 50 G C 1.019 176.032 174.900 0.188 0.000 1.326 50 G CA 1.586 46.768 45.100 0.138 0.000 0.986 50 G HN 1.018 nan 8.290 nan 0.000 0.541 51 R N 1.007 121.538 120.500 0.052 0.000 2.261 51 R HA 0.038 4.378 4.340 0.000 0.000 0.236 51 R C 1.524 177.697 176.300 -0.211 0.000 1.141 51 R CA 1.470 57.410 56.100 -0.267 0.000 1.001 51 R CB -0.548 29.573 30.300 -0.299 0.000 0.866 51 R HN 0.754 nan 8.270 nan 0.000 0.468 52 T N -2.197 112.382 114.554 0.042 0.000 2.837 52 T HA 0.342 4.692 4.350 0.000 0.000 0.285 52 T C -0.831 174.078 174.700 0.348 0.000 0.984 52 T CA -0.617 61.567 62.100 0.141 0.000 1.049 52 T CB 1.534 70.471 68.868 0.116 0.000 0.947 52 T HN 0.105 nan 8.240 nan 0.000 0.472 53 Y N 1.245 121.681 120.300 0.226 0.000 2.376 53 Y HA 0.422 4.972 4.550 0.000 0.000 0.321 53 Y C -1.408 174.613 175.900 0.203 0.000 1.189 53 Y CA -1.272 56.980 58.100 0.253 0.000 1.069 53 Y CB 1.455 40.156 38.460 0.402 0.000 1.292 53 Y HN 0.843 nan 8.280 nan 0.000 0.430 54 T N 7.883 122.543 114.554 0.177 0.000 3.053 54 T HA 0.409 4.759 4.350 0.000 0.000 0.363 54 T C 0.054 174.691 174.700 -0.105 0.000 1.239 54 T CA -0.307 61.796 62.100 0.005 0.000 1.071 54 T CB 0.057 68.993 68.868 0.113 0.000 1.089 54 T HN 0.578 nan 8.240 nan 0.000 0.527 55 I N 3.136 123.497 120.570 -0.349 0.000 2.668 55 I HA 0.096 4.266 4.170 0.000 0.000 0.285 55 I C 0.728 176.837 176.117 -0.013 0.000 1.168 55 I CA 0.429 61.599 61.300 -0.217 0.000 1.424 55 I CB 0.316 38.156 38.000 -0.267 0.000 1.377 55 I HN 0.287 nan 8.210 nan 0.000 0.560 56 R N 5.550 126.073 120.500 0.037 0.000 2.358 56 R HA 0.355 4.695 4.340 0.000 0.000 0.309 56 R C -1.269 175.049 176.300 0.031 0.000 1.026 56 R CA -0.667 55.469 56.100 0.060 0.000 0.909 56 R CB 0.835 31.182 30.300 0.078 0.000 1.153 56 R HN 0.738 nan 8.270 nan 0.000 0.515 57 N N -0.777 117.924 118.700 0.001 0.000 2.405 57 N HA -0.002 4.738 4.740 0.000 0.000 0.274 57 N C -0.100 175.320 175.510 -0.149 0.000 1.170 57 N CA -0.856 52.166 53.050 -0.047 0.000 0.848 57 N CB 1.356 39.851 38.487 0.013 0.000 1.629 57 N HN 0.226 nan 8.380 nan 0.000 0.481 58 E N -0.309 119.735 120.200 -0.260 0.000 2.510 58 E HA -0.160 4.190 4.350 0.000 0.000 0.202 58 E C -0.119 176.201 176.600 -0.466 0.000 1.072 58 E CA 0.787 56.987 56.400 -0.334 0.000 0.883 58 E CB -0.089 29.410 29.700 -0.335 0.000 0.818 58 E HN 0.656 nan 8.360 nan 0.000 0.548 59 H N -2.145 116.729 119.070 -0.327 0.000 2.562 59 H HA -0.004 4.552 4.556 0.000 0.000 0.267 59 H C 1.574 176.562 175.328 -0.567 0.000 0.959 59 H CA 0.976 56.695 56.048 -0.548 0.000 1.204 59 H CB 0.857 29.979 29.762 -1.067 0.000 1.430 59 H HN 0.128 nan 8.280 nan 0.000 0.545 60 V N -3.871 115.849 119.914 -0.323 0.000 3.392 60 V HA 0.231 4.351 4.120 0.000 0.000 0.294 60 V C 0.660 176.672 176.094 -0.136 0.000 1.561 60 V CA 0.406 62.554 62.300 -0.254 0.000 1.056 60 V CB 0.785 32.500 31.823 -0.180 0.000 0.882 60 V HN 0.248 nan 8.190 nan 0.000 0.440 61 D N 2.315 122.639 120.400 -0.126 0.000 4.372 61 D HA -0.289 4.351 4.640 0.000 0.000 0.169 61 D C 0.199 176.511 176.300 0.020 0.000 0.680 61 D CA 2.792 56.752 54.000 -0.067 0.000 1.152 61 D CB -1.412 39.327 40.800 -0.102 0.000 0.585 61 D HN 0.924 nan 8.370 nan 0.000 0.493 62 Y N -0.354 119.961 120.300 0.026 0.000 2.457 62 Y HA 0.706 5.256 4.550 0.000 0.000 0.333 62 Y C -0.321 175.624 175.900 0.075 0.000 1.119 62 Y CA -1.141 56.982 58.100 0.038 0.000 1.143 62 Y CB 1.580 40.064 38.460 0.040 0.000 1.230 62 Y HN 0.216 nan 8.280 nan 0.000 0.469 63 V N 2.799 122.846 119.914 0.222 0.000 2.817 63 V HA 0.239 4.359 4.120 0.000 0.000 0.303 63 V C -1.313 174.871 176.094 0.149 0.000 1.151 63 V CA -0.785 61.628 62.300 0.189 0.000 0.929 63 V CB 1.904 33.829 31.823 0.170 0.000 1.030 63 V HN 0.962 nan 8.190 nan 0.000 0.427 64 D N 2.794 123.287 120.400 0.155 0.000 2.362 64 D HA 0.391 5.031 4.640 0.000 0.000 0.242 64 D C 0.690 177.023 176.300 0.056 0.000 1.132 64 D CA 0.403 54.454 54.000 0.085 0.000 0.907 64 D CB 1.952 42.785 40.800 0.056 0.000 1.195 64 D HN 0.555 nan 8.370 nan 0.000 0.429 65 V N -1.625 118.352 119.914 0.105 0.000 3.337 65 V HA 0.519 4.639 4.120 0.000 0.000 0.307 65 V C 0.660 177.072 176.094 0.530 0.000 1.505 65 V CA 0.306 62.742 62.300 0.226 0.000 1.072 65 V CB 0.522 32.413 31.823 0.113 0.000 0.929 65 V HN 0.532 nan 8.190 nan 0.000 0.455 66 G N 0.534 109.535 108.800 0.334 0.000 3.259 66 G HA2 0.501 4.461 3.960 0.000 0.000 0.193 66 G HA3 0.501 4.461 3.960 0.000 0.000 0.193 66 G C 0.456 175.302 174.900 -0.091 0.000 1.457 66 G CA -0.051 45.077 45.100 0.047 0.000 0.771 66 G HN 0.711 nan 8.290 nan 0.000 0.765 67 G N 0.314 109.033 108.800 -0.134 0.000 2.248 67 G HA2 0.514 4.474 3.960 0.000 0.000 0.260 67 G HA3 0.514 4.474 3.960 0.000 0.000 0.260 67 G C 0.516 175.271 174.900 -0.243 0.000 1.214 67 G CA 1.065 46.051 45.100 -0.190 0.000 0.979 67 G HN 1.144 nan 8.290 nan 0.000 0.454 68 A N 3.067 125.609 122.820 -0.465 0.000 1.933 68 A HA 0.463 4.783 4.320 0.000 0.000 0.198 68 A C -0.052 177.042 177.584 -0.816 0.000 1.617 68 A CA 0.145 51.736 52.037 -0.744 0.000 1.039 68 A CB 0.501 18.773 19.000 -1.213 0.000 1.066 68 A HN 0.560 nan 8.150 nan 0.000 0.484 69 Y N 0.761 120.905 120.300 -0.261 0.000 2.334 69 Y HA 0.518 5.068 4.550 0.000 0.000 0.336 69 Y C 0.159 175.849 175.900 -0.349 0.000 0.960 69 Y CA -1.549 56.372 58.100 -0.299 0.000 1.164 69 Y CB 1.313 39.639 38.460 -0.222 0.000 1.155 69 Y HN 0.216 nan 8.280 nan 0.000 0.478 70 V N 0.371 120.112 119.914 -0.288 0.000 2.850 70 V HA 1.119 5.239 4.120 0.000 0.000 0.315 70 V C 0.038 175.983 176.094 -0.247 0.000 1.064 70 V CA -0.731 61.377 62.300 -0.320 0.000 0.979 70 V CB 1.660 33.233 31.823 -0.416 0.000 1.039 70 V HN 0.908 nan 8.190 nan 0.000 0.452 71 G N 1.156 109.789 108.800 -0.278 0.000 2.732 71 G HA2 0.630 4.590 3.960 0.000 0.000 0.296 71 G HA3 0.630 4.590 3.960 0.000 0.000 0.296 71 G C -3.396 171.383 174.900 -0.202 0.000 1.448 71 G CA -1.313 43.656 45.100 -0.218 0.000 0.911 71 G HN 0.690 nan 8.290 nan 0.000 0.528 72 P HA -0.036 nan 4.420 nan 0.000 0.264 72 P C 1.092 178.406 177.300 0.023 0.000 1.156 72 P CA 2.123 65.205 63.100 -0.031 0.000 0.756 72 P CB 0.582 32.278 31.700 -0.006 0.000 0.764 73 T N -0.964 113.620 114.554 0.050 0.000 7.880 73 T HA -0.278 4.072 4.350 0.000 0.000 0.303 73 T C 0.531 175.309 174.700 0.130 0.000 2.087 73 T CA 1.014 63.204 62.100 0.150 0.000 3.396 73 T CB -2.505 66.535 68.868 0.287 0.000 1.703 73 T HN 0.506 nan 8.240 nan 0.000 0.997 74 Q N 2.049 121.753 119.800 -0.160 0.000 3.179 74 Q HA 0.340 4.680 4.340 0.000 0.000 0.328 74 Q C 1.427 177.360 176.000 -0.113 0.000 1.336 74 Q CA -0.242 55.357 55.803 -0.340 0.000 0.939 74 Q CB 0.003 28.367 28.738 -0.623 0.000 1.658 74 Q HN 0.587 nan 8.270 nan 0.000 0.486 75 N N 0.947 119.640 118.700 -0.012 0.000 2.039 75 N HA -0.175 4.565 4.740 0.000 0.000 0.193 75 N C 1.276 176.798 175.510 0.021 0.000 1.044 75 N CA 1.190 54.247 53.050 0.013 0.000 0.847 75 N CB -0.013 38.494 38.487 0.033 0.000 1.030 75 N HN 0.328 nan 8.380 nan 0.000 0.422 76 R N 0.727 121.248 120.500 0.034 0.000 2.168 76 R HA -0.189 4.151 4.340 0.000 0.000 0.242 76 R C 2.221 178.545 176.300 0.039 0.000 1.123 76 R CA 1.637 57.760 56.100 0.039 0.000 0.928 76 R CB -0.690 29.642 30.300 0.052 0.000 0.873 76 R HN 0.183 nan 8.270 nan 0.000 0.434 77 I N 0.579 121.177 120.570 0.046 0.000 2.286 77 I HA -0.187 3.983 4.170 0.000 0.000 0.248 77 I C 1.853 178.046 176.117 0.126 0.000 1.115 77 I CA 1.255 62.610 61.300 0.091 0.000 1.392 77 I CB -0.279 37.794 38.000 0.121 0.000 1.065 77 I HN 0.178 nan 8.210 nan 0.000 0.418 78 L N -0.208 121.073 121.223 0.097 0.000 1.973 78 L HA -0.209 4.131 4.340 0.000 0.000 0.208 78 L C 2.746 179.650 176.870 0.056 0.000 1.073 78 L CA 1.389 56.296 54.840 0.111 0.000 0.746 78 L CB -0.716 41.380 42.059 0.062 0.000 0.891 78 L HN 0.178 nan 8.230 nan 0.000 0.433 79 R N 0.304 120.824 120.500 0.032 0.000 2.206 79 R HA -0.304 4.036 4.340 0.000 0.000 0.240 79 R C 2.253 178.551 176.300 -0.004 0.000 1.117 79 R CA 2.732 58.841 56.100 0.014 0.000 0.915 79 R CB -1.361 28.949 30.300 0.017 0.000 0.888 79 R HN 0.301 nan 8.270 nan 0.000 0.432 80 L N 1.147 122.368 121.223 -0.003 0.000 2.013 80 L HA -0.195 4.145 4.340 0.000 0.000 0.212 80 L C 2.673 179.497 176.870 -0.077 0.000 1.073 80 L CA 2.934 57.758 54.840 -0.027 0.000 0.753 80 L CB -0.981 41.071 42.059 -0.012 0.000 0.890 80 L HN 0.516 nan 8.230 nan 0.000 0.432 81 S N -0.958 114.669 115.700 -0.122 0.000 2.368 81 S HA -0.296 4.174 4.470 0.000 0.000 0.225 81 S C 2.166 176.637 174.600 -0.215 0.000 1.030 81 S CA 1.443 59.462 58.200 -0.300 0.000 0.999 81 S CB -0.724 62.097 63.200 -0.631 0.000 0.844 81 S HN 0.586 nan 8.310 nan 0.000 0.459 82 K N 1.294 121.628 120.400 -0.109 0.000 2.009 82 K HA -0.216 4.104 4.320 0.000 0.000 0.210 82 K C 2.423 178.984 176.600 -0.066 0.000 1.049 82 K CA 1.840 58.088 56.287 -0.065 0.000 0.929 82 K CB -0.415 32.073 32.500 -0.019 0.000 0.714 82 K HN 0.651 nan 8.250 nan 0.000 0.440 83 E N 0.476 120.642 120.200 -0.057 0.000 2.118 83 E HA -0.202 4.148 4.350 0.000 0.000 0.195 83 E C 1.915 178.479 176.600 -0.060 0.000 0.992 83 E CA 1.144 57.515 56.400 -0.049 0.000 0.804 83 E CB -0.060 29.617 29.700 -0.039 0.000 0.741 83 E HN 0.370 nan 8.360 nan 0.000 0.458 84 L N -0.695 120.478 121.223 -0.084 0.000 2.465 84 L HA 0.060 4.400 4.340 0.000 0.000 0.224 84 L C 1.397 178.214 176.870 -0.090 0.000 1.145 84 L CA 0.660 55.447 54.840 -0.089 0.000 0.834 84 L CB 0.124 42.113 42.059 -0.116 0.000 0.944 84 L HN 0.428 nan 8.230 nan 0.000 0.451 85 G N 0.498 109.243 108.800 -0.092 0.000 2.145 85 G HA2 -0.199 3.761 3.960 0.000 0.000 0.176 85 G HA3 -0.199 3.761 3.960 0.000 0.000 0.176 85 G C -0.046 174.798 174.900 -0.093 0.000 1.013 85 G CA -0.567 44.489 45.100 -0.074 0.000 0.689 85 G HN 0.207 nan 8.290 nan 0.000 0.506 86 I N 0.853 121.338 120.570 -0.140 0.000 2.339 86 I HA 0.400 4.570 4.170 0.000 0.000 0.290 86 I C 0.221 176.280 176.117 -0.096 0.000 0.994 86 I CA -0.967 60.228 61.300 -0.175 0.000 1.191 86 I CB 1.296 39.074 38.000 -0.370 0.000 1.343 86 I HN -0.065 nan 8.210 nan 0.000 0.458 87 E N 4.043 124.237 120.200 -0.011 0.000 2.342 87 E HA 0.416 4.766 4.350 0.000 0.000 0.257 87 E C 0.039 176.762 176.600 0.205 0.000 1.150 87 E CA -0.124 56.320 56.400 0.074 0.000 0.926 87 E CB 1.567 31.304 29.700 0.062 0.000 1.074 87 E HN 0.697 nan 8.360 nan 0.000 0.449 88 T N -1.746 112.950 114.554 0.238 0.000 2.927 88 T HA 0.768 5.118 4.350 0.000 0.000 0.286 88 T C -0.643 174.264 174.700 0.345 0.000 1.040 88 T CA -0.798 61.491 62.100 0.316 0.000 1.010 88 T CB 1.037 70.030 68.868 0.208 0.000 1.177 88 T HN 0.507 nan 8.240 nan 0.000 0.546 89 Y N -2.079 118.267 120.300 0.077 0.000 2.624 89 Y HA 0.675 5.225 4.550 0.000 0.000 0.334 89 Y C -1.063 174.863 175.900 0.043 0.000 1.155 89 Y CA -1.506 56.630 58.100 0.061 0.000 1.046 89 Y CB 1.284 39.792 38.460 0.079 0.000 1.316 89 Y HN 0.662 nan 8.280 nan 0.000 0.457 90 K N 2.158 122.552 120.400 -0.010 0.000 2.249 90 K HA 0.463 4.783 4.320 0.000 0.000 0.280 90 K C -0.899 175.599 176.600 -0.170 0.000 1.033 90 K CA -0.699 55.521 56.287 -0.111 0.000 0.946 90 K CB 1.643 34.131 32.500 -0.019 0.000 1.005 90 K HN 0.591 nan 8.250 nan 0.000 0.469 91 V N 4.170 123.954 119.914 -0.218 0.000 2.555 91 V HA -0.033 4.087 4.120 0.000 0.000 0.286 91 V C 0.664 176.714 176.094 -0.074 0.000 1.044 91 V CA -0.552 61.651 62.300 -0.162 0.000 1.026 91 V CB 0.984 32.676 31.823 -0.219 0.000 0.981 91 V HN 0.776 nan 8.190 nan 0.000 0.480 92 N N 4.015 122.710 118.700 -0.008 0.000 2.447 92 N HA 0.066 4.806 4.740 0.000 0.000 0.263 92 N C -0.185 175.317 175.510 -0.014 0.000 1.226 92 N CA 0.203 53.263 53.050 0.016 0.000 0.906 92 N CB 1.323 39.852 38.487 0.070 0.000 1.060 92 N HN 0.447 nan 8.380 nan 0.000 0.468 93 V N 2.210 122.114 119.914 -0.017 0.000 3.399 93 V HA -0.036 4.084 4.120 0.000 0.000 0.357 93 V C 1.650 177.742 176.094 -0.003 0.000 1.480 93 V CA -0.059 62.230 62.300 -0.019 0.000 1.263 93 V CB -0.248 31.542 31.823 -0.055 0.000 1.103 93 V HN 0.743 nan 8.190 nan 0.000 0.533 94 S N 0.724 116.427 115.700 0.005 0.000 2.365 94 S HA -0.144 4.326 4.470 0.000 0.000 0.225 94 S C 0.780 175.384 174.600 0.008 0.000 1.039 94 S CA 1.179 59.380 58.200 0.002 0.000 1.033 94 S CB -0.050 63.150 63.200 -0.001 0.000 0.887 94 S HN 0.684 nan 8.310 nan 0.000 0.447 95 E N 1.106 121.318 120.200 0.020 0.000 2.292 95 E HA 0.484 4.834 4.350 0.000 0.000 0.258 95 E C 0.095 176.732 176.600 0.062 0.000 1.115 95 E CA -0.760 55.654 56.400 0.024 0.000 0.929 95 E CB 0.388 30.094 29.700 0.009 0.000 1.161 95 E HN 0.314 nan 8.360 nan 0.000 0.453 96 R N 0.236 120.783 120.500 0.080 0.000 2.756 96 R HA 0.140 4.480 4.340 0.000 0.000 0.264 96 R C -0.533 175.881 176.300 0.189 0.000 1.026 96 R CA -0.225 55.956 56.100 0.134 0.000 1.121 96 R CB -0.115 30.283 30.300 0.163 0.000 0.999 96 R HN 0.195 nan 8.270 nan 0.000 0.449 97 L N 1.912 123.228 121.223 0.155 0.000 2.282 97 L HA 0.262 4.602 4.340 0.000 0.000 0.288 97 L C -0.362 176.590 176.870 0.138 0.000 1.033 97 L CA -0.425 54.492 54.840 0.129 0.000 0.807 97 L CB 1.810 43.932 42.059 0.106 0.000 1.209 97 L HN 0.337 nan 8.230 nan 0.000 0.423 98 V N 1.828 121.778 119.914 0.060 0.000 2.607 98 V HA 0.527 4.647 4.120 0.000 0.000 0.289 98 V C -0.071 176.093 176.094 0.117 0.000 1.053 98 V CA -0.725 61.575 62.300 0.001 0.000 0.996 98 V CB 1.276 32.950 31.823 -0.248 0.000 0.995 98 V HN 0.787 nan 8.190 nan 0.000 0.476 99 Q N 3.025 122.946 119.800 0.202 0.000 2.325 99 Q HA 0.430 4.770 4.340 0.000 0.000 0.270 99 Q C -1.748 174.459 176.000 0.345 0.000 1.020 99 Q CA -0.479 55.512 55.803 0.315 0.000 0.785 99 Q CB 1.490 30.475 28.738 0.412 0.000 1.259 99 Q HN 0.723 nan 8.270 nan 0.000 0.452 100 Y N 4.100 124.486 120.300 0.144 0.000 2.334 100 Y HA 0.750 5.300 4.550 0.000 0.000 0.336 100 Y C -1.575 174.407 175.900 0.137 0.000 0.960 100 Y CA -0.776 57.377 58.100 0.088 0.000 1.164 100 Y CB 1.186 39.664 38.460 0.030 0.000 1.155 100 Y HN 0.597 nan 8.280 nan 0.000 0.478 101 V N 4.876 124.646 119.914 -0.241 0.000 3.204 101 V HA 0.517 4.637 4.120 0.000 0.000 0.298 101 V C 0.072 176.017 176.094 -0.248 0.000 1.328 101 V CA -0.243 61.954 62.300 -0.170 0.000 1.035 101 V CB 1.758 33.659 31.823 0.129 0.000 1.095 101 V HN 0.892 nan 8.190 nan 0.000 0.442 102 K N 2.177 122.475 120.400 -0.169 0.000 3.281 102 K HA -0.186 4.134 4.320 0.000 0.000 0.308 102 K C 1.894 178.391 176.600 -0.171 0.000 1.218 102 K CA 2.570 58.797 56.287 -0.101 0.000 0.923 102 K CB -2.476 30.036 32.500 0.021 0.000 1.222 102 K HN 2.949 nan 8.250 nan 0.000 0.440 103 G N -4.257 104.281 108.800 -0.436 0.000 2.137 103 G HA2 0.401 4.361 3.960 0.000 0.000 0.237 103 G HA3 0.401 4.361 3.960 0.000 0.000 0.237 103 G C 0.281 175.129 174.900 -0.087 0.000 1.002 103 G CA 1.576 46.494 45.100 -0.303 0.000 0.702 103 G HN 2.248 nan 8.290 nan 0.000 0.515 104 K N -0.460 119.810 120.400 -0.217 0.000 2.395 104 K HA 0.961 5.281 4.320 0.000 0.000 0.247 104 K C 0.162 176.603 176.600 -0.264 0.000 0.973 104 K CA 0.141 56.320 56.287 -0.179 0.000 0.828 104 K CB 1.246 33.589 32.500 -0.262 0.000 1.272 104 K HN 1.241 nan 8.250 nan 0.000 0.439 105 T N -0.258 114.108 114.554 -0.313 0.000 2.824 105 T HA 0.686 5.037 4.350 0.000 0.000 0.280 105 T C -0.875 173.501 174.700 -0.539 0.000 0.995 105 T CA -0.518 61.434 62.100 -0.247 0.000 1.009 105 T CB 0.213 69.034 68.868 -0.079 0.000 0.955 105 T HN 0.410 nan 8.240 nan 0.000 0.452 106 Y N 2.507 122.879 120.300 0.121 0.000 2.338 106 Y HA 0.503 5.053 4.550 0.000 0.000 0.333 106 Y C -2.537 173.431 175.900 0.114 0.000 0.968 106 Y CA -2.845 55.319 58.100 0.107 0.000 1.123 106 Y CB 2.111 40.637 38.460 0.111 0.000 1.165 106 Y HN 0.493 nan 8.280 nan 0.000 0.452 107 P HA 0.270 nan 4.420 nan 0.000 0.284 107 P C 0.135 177.555 177.300 0.200 0.000 1.258 107 P CA -0.078 63.174 63.100 0.253 0.000 0.824 107 P CB 0.714 32.599 31.700 0.309 0.000 1.038 108 F N -1.503 118.553 119.950 0.178 0.000 2.891 108 F HA 0.025 4.552 4.527 0.000 0.000 0.272 108 F C 0.322 176.195 175.800 0.121 0.000 1.004 108 F CA 0.424 58.501 58.000 0.129 0.000 0.938 108 F CB -2.780 36.278 39.000 0.095 0.000 0.939 108 F HN 0.931 nan 8.300 nan 0.000 0.833 109 R N 0.563 121.154 120.500 0.151 0.000 2.673 109 R HA 0.900 5.240 4.340 0.000 0.000 0.281 109 R C 0.750 177.154 176.300 0.173 0.000 0.991 109 R CA 0.110 56.299 56.100 0.147 0.000 0.896 109 R CB 0.612 31.020 30.300 0.180 0.000 1.201 109 R HN 2.366 nan 8.270 nan 0.000 0.457 117 N N 3.803 122.405 118.700 -0.164 0.000 2.497 117 N HA 0.162 4.902 4.740 0.000 0.000 0.271 117 N C -0.825 174.582 175.510 -0.172 0.000 1.142 117 N CA -0.740 52.188 53.050 -0.204 0.000 0.965 117 N CB 1.505 39.977 38.487 -0.025 0.000 1.077 117 N HN -0.121 nan 8.380 nan 0.000 0.462 118 P HA -0.198 nan 4.420 nan 0.000 0.205 118 P C 1.617 178.936 177.300 0.033 0.000 1.193 118 P CA 1.260 64.310 63.100 -0.082 0.000 0.929 118 P CB -0.084 31.535 31.700 -0.136 0.000 0.772 119 I N -1.074 119.483 120.570 -0.022 0.000 2.300 119 I HA -0.284 3.886 4.170 0.000 0.000 0.252 119 I C 2.129 178.238 176.117 -0.012 0.000 1.119 119 I CA 2.047 63.326 61.300 -0.034 0.000 1.384 119 I CB -0.698 37.271 38.000 -0.052 0.000 1.062 119 I HN -0.081 nan 8.210 nan 0.000 0.426 120 A N 1.052 123.889 122.820 0.028 0.000 1.834 120 A HA -0.324 3.996 4.320 0.000 0.000 0.216 120 A C 2.335 180.009 177.584 0.150 0.000 1.203 120 A CA 2.134 54.216 52.037 0.074 0.000 0.621 120 A CB -1.695 17.385 19.000 0.134 0.000 0.841 120 A HN 0.735 nan 8.150 nan 0.000 0.446 121 Y N 0.579 120.923 120.300 0.073 0.000 2.139 121 Y HA -0.249 4.301 4.550 0.000 0.000 0.282 121 Y C 1.886 177.812 175.900 0.042 0.000 1.179 121 Y CA 1.813 59.949 58.100 0.059 0.000 1.161 121 Y CB -0.545 37.853 38.460 -0.104 0.000 0.970 121 Y HN 0.256 nan 8.280 nan 0.000 0.511 122 L N 0.107 121.161 121.223 -0.282 0.000 1.933 122 L HA -0.323 4.017 4.340 0.000 0.000 0.220 122 L C 2.420 179.143 176.870 -0.246 0.000 1.078 122 L CA 1.947 56.590 54.840 -0.329 0.000 0.773 122 L CB -0.918 41.035 42.059 -0.175 0.000 0.890 122 L HN 0.158 nan 8.230 nan 0.000 0.434 123 D N -1.409 118.896 120.400 -0.158 0.000 2.191 123 D HA -0.275 4.365 4.640 0.000 0.000 0.190 123 D C 1.895 178.045 176.300 -0.249 0.000 1.007 123 D CA 1.579 55.482 54.000 -0.163 0.000 0.865 123 D CB -0.224 40.499 40.800 -0.128 0.000 0.929 123 D HN 0.266 nan 8.370 nan 0.000 0.447 124 Y N 0.602 120.699 120.300 -0.338 0.000 2.006 124 Y HA -0.332 4.218 4.550 0.000 0.000 0.266 124 Y C 2.404 178.044 175.900 -0.434 0.000 1.133 124 Y CA 2.363 60.174 58.100 -0.481 0.000 1.098 124 Y CB -0.622 37.649 38.460 -0.314 0.000 0.969 124 Y HN 0.195 nan 8.280 nan 0.000 0.482 125 N N -0.199 118.462 118.700 -0.066 0.000 2.188 125 N HA -0.213 4.527 4.740 0.000 0.000 0.184 125 N C 1.403 176.916 175.510 0.005 0.000 1.018 125 N CA 1.521 54.601 53.050 0.049 0.000 0.858 125 N CB -0.754 37.693 38.487 -0.067 0.000 0.989 125 N HN 0.454 nan 8.380 nan 0.000 0.426 126 N N -0.311 118.324 118.700 -0.107 0.000 2.166 126 N HA -0.199 4.541 4.740 0.000 0.000 0.186 126 N C 1.626 177.079 175.510 -0.095 0.000 1.019 126 N CA 0.981 53.977 53.050 -0.090 0.000 0.856 126 N CB -0.207 38.212 38.487 -0.113 0.000 0.993 126 N HN 0.329 nan 8.380 nan 0.000 0.426 127 L N 0.407 121.518 121.223 -0.186 0.000 1.924 127 L HA -0.177 4.163 4.340 0.000 0.000 0.222 127 L C 1.710 178.520 176.870 -0.101 0.000 1.081 127 L CA 1.828 56.517 54.840 -0.252 0.000 0.780 127 L CB -1.336 40.400 42.059 -0.538 0.000 0.891 127 L HN 0.336 nan 8.230 nan 0.000 0.434 128 W N 0.461 121.708 121.300 -0.088 0.000 2.336 128 W HA -0.216 4.444 4.660 0.000 0.000 0.277 128 W C 2.916 179.410 176.519 -0.041 0.000 1.211 128 W CA 1.742 59.051 57.345 -0.061 0.000 1.187 128 W CB -0.840 28.628 29.460 0.013 0.000 1.132 128 W HN 0.415 nan 8.180 nan 0.000 0.562 129 R N 0.077 120.675 120.500 0.163 0.000 2.064 129 R HA -0.127 4.213 4.340 0.000 0.000 0.228 129 R C 2.182 178.484 176.300 0.003 0.000 1.144 129 R CA 2.478 58.613 56.100 0.058 0.000 0.932 129 R CB -0.765 29.546 30.300 0.019 0.000 0.833 129 R HN -0.080 nan 8.270 nan 0.000 0.429 130 T N 1.568 116.107 114.554 -0.026 0.000 2.848 130 T HA -0.152 4.198 4.350 0.000 0.000 0.269 130 T C 1.679 176.339 174.700 -0.067 0.000 1.081 130 T CA 1.419 63.482 62.100 -0.062 0.000 1.125 130 T CB -0.198 68.616 68.868 -0.089 0.000 0.848 130 T HN 0.294 nan 8.240 nan 0.000 0.503 131 I N 0.508 121.065 120.570 -0.021 0.000 2.406 131 I HA -0.049 4.121 4.170 0.000 0.000 0.249 131 I C 2.103 178.215 176.117 -0.008 0.000 1.122 131 I CA 0.962 62.256 61.300 -0.010 0.000 1.431 131 I CB -0.289 37.744 38.000 0.054 0.000 1.087 131 I HN 0.097 nan 8.210 nan 0.000 0.424 132 D N 0.967 121.367 120.400 -0.001 0.000 2.214 132 D HA -0.074 4.567 4.640 0.000 0.000 0.217 132 D C 1.869 178.147 176.300 -0.036 0.000 0.973 132 D CA 0.826 54.812 54.000 -0.024 0.000 0.880 132 D CB -0.490 40.292 40.800 -0.030 0.000 1.031 132 D HN 0.157 nan 8.370 nan 0.000 0.468 133 N N 0.581 119.251 118.700 -0.049 0.000 2.182 133 N HA -0.208 4.532 4.740 0.000 0.000 0.192 133 N C 1.738 177.245 175.510 -0.004 0.000 1.007 133 N CA 0.856 53.881 53.050 -0.042 0.000 0.873 133 N CB -0.162 38.294 38.487 -0.052 0.000 0.998 133 N HN 0.261 nan 8.380 nan 0.000 0.436 134 M N -0.026 119.568 119.600 -0.010 0.000 2.447 134 M HA 0.023 4.503 4.480 0.000 0.000 0.264 134 M C 1.781 178.180 176.300 0.164 0.000 1.095 134 M CA 0.692 56.005 55.300 0.021 0.000 1.125 134 M CB 0.232 32.724 32.600 -0.181 0.000 1.389 134 M HN 0.031 nan 8.290 nan 0.000 0.459 135 G N -0.257 108.594 108.800 0.086 0.000 2.603 135 G HA2 -0.095 3.865 3.960 0.000 0.000 0.214 135 G HA3 -0.095 3.865 3.960 0.000 0.000 0.214 135 G C 1.381 176.323 174.900 0.069 0.000 1.140 135 G CA 0.075 45.237 45.100 0.103 0.000 0.800 135 G HN 0.348 nan 8.290 nan 0.000 0.533 136 K N 0.914 121.336 120.400 0.036 0.000 2.144 136 K HA -0.175 4.145 4.320 0.000 0.000 0.209 136 K C 1.950 178.557 176.600 0.010 0.000 1.047 136 K CA 1.677 57.966 56.287 0.003 0.000 0.927 136 K CB -0.057 32.438 32.500 -0.007 0.000 0.716 136 K HN 0.514 nan 8.250 nan 0.000 0.454 137 E N 0.565 120.795 120.200 0.050 0.000 2.463 137 E HA 0.021 4.372 4.350 0.000 0.000 0.191 137 E C -0.239 176.354 176.600 -0.011 0.000 1.083 137 E CA 0.161 56.568 56.400 0.012 0.000 0.872 137 E CB -0.072 29.632 29.700 0.007 0.000 0.966 137 E HN 0.337 nan 8.360 nan 0.000 0.491 138 I N 3.099 123.680 120.570 0.019 0.000 2.328 138 I HA 0.208 4.378 4.170 0.000 0.000 0.287 138 I C -2.203 173.905 176.117 -0.015 0.000 1.012 138 I CA -2.797 58.515 61.300 0.020 0.000 1.195 138 I CB 0.870 38.947 38.000 0.129 0.000 1.350 138 I HN -0.256 nan 8.210 nan 0.000 0.464 139 P HA -0.036 nan 4.420 nan 0.000 0.254 139 P C 1.167 178.431 177.300 -0.060 0.000 1.186 139 P CA 0.149 63.177 63.100 -0.121 0.000 0.868 139 P CB 0.258 31.822 31.700 -0.228 0.000 0.856 140 T N -0.457 114.086 114.554 -0.019 0.000 2.778 140 T HA -0.199 4.151 4.350 0.000 0.000 0.269 140 T C 1.006 175.795 174.700 0.147 0.000 1.050 140 T CA 1.414 63.566 62.100 0.088 0.000 1.137 140 T CB -0.446 68.364 68.868 -0.095 0.000 0.860 140 T HN 0.184 nan 8.240 nan 0.000 0.468 141 D N 1.500 121.850 120.400 -0.083 0.000 2.354 141 D HA 0.435 5.075 4.640 0.000 0.000 0.209 141 D C 0.695 176.779 176.300 -0.360 0.000 1.015 141 D CA 0.646 54.557 54.000 -0.149 0.000 0.867 141 D CB 0.467 41.130 40.800 -0.227 0.000 0.933 141 D HN 0.622 nan 8.370 nan 0.000 0.520 142 A N 0.750 123.169 122.820 -0.669 0.000 3.330 142 A HA 0.268 4.588 4.320 0.000 0.000 0.256 142 A C -2.160 174.522 177.584 -1.502 0.000 1.185 142 A CA -0.667 50.394 52.037 -1.626 0.000 0.940 142 A CB 0.648 18.998 19.000 -1.083 0.000 1.397 142 A HN -0.184 nan 8.150 nan 0.000 0.678 143 P HA -0.120 nan 4.420 nan 0.000 0.225 143 P C 0.920 178.045 177.300 -0.291 0.000 1.148 143 P CA 1.018 63.845 63.100 -0.456 0.000 0.779 143 P CB -0.352 31.012 31.700 -0.560 0.000 0.780 144 W N 0.050 121.288 121.300 -0.105 0.000 3.391 144 W HA 0.358 5.018 4.660 -0.000 0.000 0.275 144 W C 0.709 177.190 176.519 -0.064 0.000 1.318 144 W CA -0.260 57.044 57.345 -0.069 0.000 1.665 144 W CB -1.198 28.230 29.460 -0.054 0.000 1.078 144 W HN -0.047 nan 8.180 nan 0.000 0.732 145 E N 0.407 120.422 120.200 -0.308 0.000 2.660 145 E HA 0.361 4.711 4.350 0.000 0.000 0.216 145 E C 1.124 177.630 176.600 -0.156 0.000 0.986 145 E CA -0.262 56.038 56.400 -0.167 0.000 1.037 145 E CB 0.191 29.750 29.700 -0.236 0.000 1.041 145 E HN 0.209 nan 8.360 nan 0.000 0.480 146 A N 0.488 123.209 122.820 -0.166 0.000 2.366 146 A HA 0.014 4.334 4.320 0.000 0.000 0.250 146 A C 1.151 178.615 177.584 -0.200 0.000 1.099 146 A CA 0.028 51.957 52.037 -0.179 0.000 0.794 146 A CB 0.466 19.345 19.000 -0.202 0.000 1.056 146 A HN 0.247 nan 8.150 nan 0.000 0.499 147 Q N -0.436 119.240 119.800 -0.207 0.000 2.016 147 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 147 Q C 0.872 176.664 176.000 -0.348 0.000 0.978 147 Q CA 2.045 57.729 55.803 -0.199 0.000 0.833 147 Q CB -0.122 28.576 28.738 -0.066 0.000 0.895 147 Q HN 0.860 nan 8.270 nan 0.000 0.427 148 H N -0.536 118.178 119.070 -0.594 0.000 2.640 148 H HA 0.347 4.903 4.556 0.000 0.000 0.312 148 H C 0.895 175.818 175.328 -0.675 0.000 1.110 148 H CA 0.100 55.727 56.048 -0.702 0.000 1.098 148 H CB 0.391 29.497 29.762 -1.093 0.000 1.485 148 H HN 0.404 nan 8.280 nan 0.000 0.526 149 A N 0.907 123.551 122.820 -0.293 0.000 1.908 149 A HA -0.192 4.128 4.320 0.000 0.000 0.218 149 A C 2.106 179.688 177.584 -0.003 0.000 1.181 149 A CA 1.517 53.487 52.037 -0.112 0.000 0.627 149 A CB -0.082 18.901 19.000 -0.030 0.000 0.818 149 A HN 0.326 nan 8.150 nan 0.000 0.445 150 D N -0.720 119.666 120.400 -0.023 0.000 2.117 150 D HA -0.147 4.493 4.640 0.000 0.000 0.198 150 D C 2.007 178.359 176.300 0.085 0.000 0.982 150 D CA 1.648 55.665 54.000 0.029 0.000 0.828 150 D CB -0.124 40.677 40.800 0.002 0.000 0.967 150 D HN 0.630 nan 8.370 nan 0.000 0.464 151 K N -0.169 120.288 120.400 0.095 0.000 2.097 151 K HA -0.140 4.180 4.320 0.000 0.000 0.205 151 K C 2.031 178.880 176.600 0.414 0.000 1.050 151 K CA 0.968 57.393 56.287 0.230 0.000 0.938 151 K CB -0.084 32.587 32.500 0.285 0.000 0.718 151 K HN 0.063 nan 8.250 nan 0.000 0.442 152 W N 1.577 122.960 121.300 0.139 0.000 2.436 152 W HA -0.016 4.644 4.660 -0.000 0.000 0.284 152 W C 1.774 178.380 176.519 0.146 0.000 1.225 152 W CA 0.679 58.105 57.345 0.134 0.000 1.271 152 W CB -1.105 28.439 29.460 0.139 0.000 1.114 152 W HN 0.303 nan 8.180 nan 0.000 0.559 153 D N 0.061 120.670 120.400 0.349 0.000 2.224 153 D HA -0.130 4.510 4.640 0.000 0.000 0.205 153 D C 1.854 178.283 176.300 0.214 0.000 0.965 153 D CA 1.172 55.337 54.000 0.275 0.000 0.852 153 D CB 0.141 41.073 40.800 0.220 0.000 0.947 153 D HN -0.212 nan 8.370 nan 0.000 0.494 154 K N -0.282 120.232 120.400 0.190 0.000 2.243 154 K HA 0.070 4.390 4.320 0.000 0.000 0.201 154 K C 1.166 177.847 176.600 0.135 0.000 1.051 154 K CA -0.045 56.324 56.287 0.137 0.000 0.970 154 K CB -0.267 32.298 32.500 0.108 0.000 0.755 154 K HN 0.316 nan 8.250 nan 0.000 0.465 155 M N 0.426 120.127 119.600 0.167 0.000 2.167 155 M HA -0.027 4.453 4.480 0.000 0.000 0.300 155 M C 0.234 176.614 176.300 0.133 0.000 1.171 155 M CA 0.684 56.065 55.300 0.135 0.000 1.171 155 M CB 0.729 33.411 32.600 0.138 0.000 1.396 155 M HN -0.099 nan 8.290 nan 0.000 0.466 156 T N 1.048 115.660 114.554 0.097 0.000 2.908 156 T HA 0.290 4.640 4.350 0.000 0.000 0.290 156 T C 0.600 175.343 174.700 0.072 0.000 1.034 156 T CA -0.866 61.292 62.100 0.097 0.000 1.010 156 T CB 1.344 70.257 68.868 0.075 0.000 1.068 156 T HN 0.757 nan 8.240 nan 0.000 0.481 157 M N 3.224 122.869 119.600 0.076 0.000 2.143 157 M HA -0.035 4.445 4.480 0.000 0.000 0.258 157 M C 2.052 178.350 176.300 -0.003 0.000 1.071 157 M CA 1.920 57.224 55.300 0.007 0.000 1.088 157 M CB -0.591 31.943 32.600 -0.110 0.000 1.360 157 M HN 0.656 nan 8.290 nan 0.000 0.404 158 K N -0.490 119.931 120.400 0.034 0.000 2.001 158 K HA -0.200 4.120 4.320 0.000 0.000 0.208 158 K C 1.936 178.559 176.600 0.039 0.000 1.048 158 K CA 1.907 58.236 56.287 0.070 0.000 0.932 158 K CB -0.217 32.305 32.500 0.037 0.000 0.715 158 K HN 0.405 nan 8.250 nan 0.000 0.437 159 E N 0.633 120.844 120.200 0.019 0.000 2.065 159 E HA -0.254 4.096 4.350 0.000 0.000 0.201 159 E C 1.964 178.542 176.600 -0.037 0.000 1.016 159 E CA 1.852 58.248 56.400 -0.006 0.000 0.818 159 E CB -0.172 29.533 29.700 0.008 0.000 0.749 159 E HN 0.157 nan 8.360 nan 0.000 0.453 160 L N 0.670 121.867 121.223 -0.044 0.000 2.027 160 L HA -0.123 4.217 4.340 0.000 0.000 0.206 160 L C 2.031 178.836 176.870 -0.109 0.000 1.074 160 L CA 1.513 56.297 54.840 -0.095 0.000 0.745 160 L CB -0.302 41.686 42.059 -0.118 0.000 0.898 160 L HN 0.198 nan 8.230 nan 0.000 0.433 161 I N -0.277 120.240 120.570 -0.088 0.000 2.208 161 I HA -0.328 3.842 4.170 0.000 0.000 0.245 161 I C 2.104 178.137 176.117 -0.139 0.000 1.097 161 I CA 1.533 62.755 61.300 -0.130 0.000 1.363 161 I CB -0.605 37.335 38.000 -0.100 0.000 1.051 161 I HN 0.361 nan 8.210 nan 0.000 0.413 162 D N 0.887 121.243 120.400 -0.074 0.000 2.097 162 D HA -0.181 4.459 4.640 0.000 0.000 0.195 162 D C 2.154 178.354 176.300 -0.168 0.000 0.989 162 D CA 1.191 55.132 54.000 -0.098 0.000 0.827 162 D CB -0.184 40.584 40.800 -0.053 0.000 0.966 162 D HN 0.285 nan 8.370 nan 0.000 0.456 163 K N 0.517 120.830 120.400 -0.146 0.000 2.020 163 K HA -0.139 4.181 4.320 0.000 0.000 0.212 163 K C 2.390 178.906 176.600 -0.140 0.000 1.050 163 K CA 0.841 57.033 56.287 -0.158 0.000 0.929 163 K CB -0.252 32.181 32.500 -0.112 0.000 0.714 163 K HN 0.160 nan 8.250 nan 0.000 0.443 164 I N 0.561 121.060 120.570 -0.119 0.000 2.208 164 I HA -0.262 3.908 4.170 0.000 0.000 0.245 164 I C 1.359 177.459 176.117 -0.028 0.000 1.097 164 I CA 0.415 61.666 61.300 -0.082 0.000 1.363 164 I CB -0.190 37.728 38.000 -0.137 0.000 1.051 164 I HN 0.124 nan 8.210 nan 0.000 0.413 165 C N -0.524 118.713 119.300 -0.105 0.000 2.364 165 C HA 0.147 4.607 4.460 0.000 0.000 0.356 165 C C 0.791 175.760 174.990 -0.034 0.000 1.201 165 C CA -0.548 58.425 59.018 -0.074 0.000 2.227 165 C CB 0.869 28.485 27.740 -0.207 0.000 2.387 165 C HN 0.517 nan 8.230 nan 0.000 0.546 166 W N 0.331 121.544 121.300 -0.144 0.000 2.968 166 W HA 0.154 4.814 4.660 -0.000 0.000 0.253 166 W C 1.485 177.945 176.519 -0.098 0.000 1.150 166 W CA 0.232 57.515 57.345 -0.103 0.000 1.463 166 W CB -0.680 28.728 29.460 -0.087 0.000 0.906 166 W HN 0.704 nan 8.180 nan 0.000 0.650 167 T N -0.950 113.663 114.554 0.098 0.000 2.899 167 T HA 0.248 4.598 4.350 0.000 0.000 0.295 167 T C 0.983 175.652 174.700 -0.052 0.000 1.033 167 T CA -0.146 61.961 62.100 0.012 0.000 1.084 167 T CB 2.058 70.911 68.868 -0.026 0.000 0.979 167 T HN -0.042 nan 8.240 nan 0.000 0.532 168 K N 1.152 121.533 120.400 -0.031 0.000 1.965 168 K HA -0.076 4.244 4.320 0.000 0.000 0.214 168 K C 2.405 178.954 176.600 -0.084 0.000 1.042 168 K CA 1.861 58.126 56.287 -0.038 0.000 0.950 168 K CB -0.969 31.532 32.500 0.003 0.000 0.733 168 K HN 0.891 nan 8.250 nan 0.000 0.441 169 T N 1.113 115.640 114.554 -0.044 0.000 2.202 169 T HA -0.383 3.967 4.350 0.000 0.000 0.191 169 T C 1.869 176.454 174.700 -0.191 0.000 1.646 169 T CA 2.411 64.485 62.100 -0.043 0.000 0.997 169 T CB -1.243 67.631 68.868 0.011 0.000 0.802 169 T HN 0.489 nan 8.240 nan 0.000 0.437 170 A N 2.072 124.657 122.820 -0.390 0.000 1.902 170 A HA 0.076 4.396 4.320 0.000 0.000 0.217 170 A C 2.728 179.960 177.584 -0.585 0.000 1.181 170 A CA 3.291 54.882 52.037 -0.743 0.000 0.623 170 A CB -1.364 17.143 19.000 -0.821 0.000 0.818 170 A HN 0.778 nan 8.150 nan 0.000 0.443 171 R N -1.189 119.031 120.500 -0.467 0.000 2.096 171 R HA -0.209 4.131 4.340 0.000 0.000 0.240 171 R C 2.569 178.247 176.300 -1.037 0.000 1.139 171 R CA 3.260 58.992 56.100 -0.614 0.000 0.952 171 R CB -1.928 28.179 30.300 -0.322 0.000 0.854 171 R HN 0.828 nan 8.270 nan 0.000 0.436 172 R N -0.517 119.700 120.500 -0.472 0.000 2.080 172 R HA -0.025 4.315 4.340 0.000 0.000 0.236 172 R C 2.357 178.494 176.300 -0.271 0.000 1.137 172 R CA 1.889 57.866 56.100 -0.206 0.000 0.943 172 R CB -1.592 28.711 30.300 0.006 0.000 0.846 172 R HN 0.676 nan 8.270 nan 0.000 0.431 173 F N 1.209 120.959 119.950 -0.333 0.000 2.120 173 F HA -0.172 4.355 4.527 0.000 0.000 0.300 173 F C 2.905 178.602 175.800 -0.173 0.000 1.095 173 F CA 1.692 59.577 58.000 -0.191 0.000 1.249 173 F CB -0.362 38.469 39.000 -0.281 0.000 0.995 173 F HN 0.398 nan 8.300 nan 0.000 0.480 174 A N -0.699 121.971 122.820 -0.251 0.000 1.997 174 A HA -0.255 4.065 4.320 0.000 0.000 0.221 174 A C 1.828 179.354 177.584 -0.097 0.000 1.172 174 A CA 1.970 53.823 52.037 -0.307 0.000 0.645 174 A CB -1.189 17.459 19.000 -0.588 0.000 0.813 174 A HN 0.500 nan 8.150 nan 0.000 0.454 175 Y N 0.127 120.415 120.300 -0.021 0.000 2.117 175 Y HA -0.088 4.462 4.550 0.000 0.000 0.277 175 Y C 2.507 178.409 175.900 0.004 0.000 1.104 175 Y CA 0.727 58.804 58.100 -0.039 0.000 1.089 175 Y CB -1.364 37.057 38.460 -0.066 0.000 0.999 175 Y HN 0.362 nan 8.280 nan 0.000 0.480 176 L N -1.359 119.947 121.223 0.137 0.000 2.197 176 L HA -0.259 4.081 4.340 0.000 0.000 0.215 176 L C 2.269 179.210 176.870 0.119 0.000 1.095 176 L CA 1.970 56.849 54.840 0.064 0.000 0.764 176 L CB -1.127 40.908 42.059 -0.040 0.000 0.897 176 L HN 0.245 nan 8.230 nan 0.000 0.436 177 F N 0.896 120.857 119.950 0.017 0.000 2.084 177 F HA -0.172 4.355 4.527 0.000 0.000 0.296 177 F C 2.278 178.168 175.800 0.150 0.000 1.111 177 F CA 2.027 60.079 58.000 0.086 0.000 1.224 177 F CB -0.141 39.008 39.000 0.248 0.000 0.991 177 F HN -0.109 nan 8.300 nan 0.000 0.471 178 V N 1.361 121.596 119.914 0.533 0.000 2.252 178 V HA -0.404 3.716 4.120 0.000 0.000 0.249 178 V C 2.090 178.282 176.094 0.164 0.000 1.056 178 V CA 2.331 64.752 62.300 0.202 0.000 1.022 178 V CB -1.037 30.663 31.823 -0.206 0.000 0.641 178 V HN 0.389 nan 8.190 nan 0.000 0.445 179 N N 0.207 118.964 118.700 0.094 0.000 2.036 179 N HA -0.164 4.576 4.740 0.000 0.000 0.195 179 N C 1.719 177.230 175.510 0.001 0.000 1.037 179 N CA 1.880 54.945 53.050 0.024 0.000 0.855 179 N CB -0.543 37.961 38.487 0.028 0.000 1.033 179 N HN 0.451 nan 8.380 nan 0.000 0.423 180 I N 0.735 121.320 120.570 0.025 0.000 2.264 180 I HA -0.256 3.914 4.170 0.000 0.000 0.248 180 I C 1.570 177.713 176.117 0.043 0.000 1.111 180 I CA 1.041 62.345 61.300 0.007 0.000 1.382 180 I CB -0.163 37.815 38.000 -0.036 0.000 1.060 180 I HN 0.206 nan 8.210 nan 0.000 0.418 181 N N 0.021 118.760 118.700 0.066 0.000 2.402 181 N HA 0.006 4.746 4.740 0.000 0.000 0.174 181 N C 1.001 176.606 175.510 0.158 0.000 1.027 181 N CA 1.155 54.293 53.050 0.146 0.000 0.891 181 N CB 0.755 39.290 38.487 0.081 0.000 1.016 181 N HN 0.269 nan 8.380 nan 0.000 0.439 182 V N -1.138 118.822 119.914 0.077 0.000 2.909 182 V HA 0.219 4.339 4.120 0.000 0.000 0.362 182 V C 0.371 176.376 176.094 -0.147 0.000 1.356 182 V CA -0.239 62.079 62.300 0.029 0.000 1.195 182 V CB -0.507 31.451 31.823 0.225 0.000 1.256 182 V HN 0.221 nan 8.190 nan 0.000 0.567 183 T N -2.222 112.141 114.554 -0.319 0.000 3.318 183 T HA -0.221 4.129 4.350 0.000 0.000 0.413 183 T C 0.057 174.604 174.700 -0.254 0.000 0.771 183 T CA 1.460 63.351 62.100 -0.349 0.000 2.056 183 T CB -1.925 66.619 68.868 -0.540 0.000 1.684 183 T HN 1.245 nan 8.240 nan 0.000 0.610 184 S N -0.282 115.300 115.700 -0.196 0.000 2.570 184 S HA 0.513 4.983 4.470 0.000 0.000 0.270 184 S C -1.235 173.277 174.600 -0.147 0.000 1.149 184 S CA -0.910 57.129 58.200 -0.268 0.000 0.837 184 S CB 1.669 64.540 63.200 -0.548 0.000 1.124 184 S HN 0.456 nan 8.310 nan 0.000 0.465 185 E N 2.144 122.270 120.200 -0.123 0.000 2.331 185 E HA 0.276 4.626 4.350 0.000 0.000 0.272 185 E C -1.703 174.888 176.600 -0.014 0.000 1.036 185 E CA -2.019 54.366 56.400 -0.024 0.000 0.864 185 E CB 0.947 30.691 29.700 0.074 0.000 1.035 185 E HN 0.245 nan 8.360 nan 0.000 0.408 186 P HA -0.235 nan 4.420 nan 0.000 0.212 186 P C 1.222 178.550 177.300 0.046 0.000 1.174 186 P CA 1.806 64.903 63.100 -0.005 0.000 0.934 186 P CB -0.213 31.491 31.700 0.006 0.000 0.791 187 H N -0.062 118.966 119.070 -0.069 0.000 2.550 187 H HA -0.122 4.434 4.556 0.000 0.000 0.292 187 H C 1.123 176.459 175.328 0.013 0.000 1.072 187 H CA 1.501 57.528 56.048 -0.035 0.000 1.217 187 H CB -0.824 28.901 29.762 -0.062 0.000 1.355 187 H HN 0.298 nan 8.280 nan 0.000 0.586 188 E N 0.470 120.485 120.200 -0.307 0.000 2.364 188 E HA 0.096 4.446 4.350 0.000 0.000 0.196 188 E C 0.744 177.374 176.600 0.048 0.000 0.990 188 E CA 0.464 56.705 56.400 -0.265 0.000 0.886 188 E CB 0.839 30.423 29.700 -0.194 0.000 0.866 188 E HN 0.398 nan 8.360 nan 0.000 0.493 189 V N -1.076 118.904 119.914 0.109 0.000 2.769 189 V HA 0.425 4.545 4.120 0.000 0.000 0.312 189 V C 0.164 176.411 176.094 0.254 0.000 1.058 189 V CA -1.183 61.275 62.300 0.262 0.000 0.952 189 V CB 1.768 33.806 31.823 0.360 0.000 1.019 189 V HN -0.004 nan 8.190 nan 0.000 0.445 190 S N 2.722 118.618 115.700 0.327 0.000 2.558 190 S HA 0.312 4.782 4.470 0.000 0.000 0.287 190 S C 1.407 176.254 174.600 0.412 0.000 1.321 190 S CA 0.353 58.775 58.200 0.371 0.000 1.048 190 S CB 0.763 64.226 63.200 0.438 0.000 0.844 190 S HN 1.795 nan 8.310 nan 0.000 0.512 191 A N 4.540 127.552 122.820 0.320 0.000 1.841 191 A HA 0.017 4.337 4.320 0.000 0.000 0.214 191 A C 2.079 179.899 177.584 0.394 0.000 1.195 191 A CA 1.476 53.681 52.037 0.280 0.000 0.611 191 A CB -1.080 18.020 19.000 0.167 0.000 0.835 191 A HN 0.975 nan 8.150 nan 0.000 0.443 192 L N -1.376 120.122 121.223 0.459 0.000 1.997 192 L HA -0.209 4.131 4.340 0.000 0.000 0.216 192 L C 2.192 179.354 176.870 0.487 0.000 1.074 192 L CA 2.602 57.748 54.840 0.511 0.000 0.763 192 L CB -0.891 41.427 42.059 0.431 0.000 0.890 192 L HN 0.649 nan 8.230 nan 0.000 0.434 193 W N -0.560 120.933 121.300 0.321 0.000 2.329 193 W HA -0.303 4.357 4.660 -0.000 0.000 0.324 193 W C 2.518 179.359 176.519 0.537 0.000 1.222 193 W CA 2.280 59.822 57.345 0.328 0.000 1.270 193 W CB -0.958 28.677 29.460 0.292 0.000 1.167 193 W HN 0.275 nan 8.180 nan 0.000 0.467 194 F N 0.838 121.038 119.950 0.418 0.000 2.045 194 F HA -0.372 4.155 4.527 0.000 0.000 0.297 194 F C 2.285 178.152 175.800 0.111 0.000 1.114 194 F CA 2.702 60.806 58.000 0.173 0.000 1.207 194 F CB -1.185 37.955 39.000 0.233 0.000 0.964 194 F HN -0.128 nan 8.300 nan 0.000 0.486 195 L N -1.413 119.967 121.223 0.262 0.000 1.997 195 L HA -0.280 4.060 4.340 0.000 0.000 0.216 195 L C 2.354 179.265 176.870 0.067 0.000 1.074 195 L CA 2.213 57.135 54.840 0.136 0.000 0.763 195 L CB -1.235 40.971 42.059 0.245 0.000 0.890 195 L HN 0.522 nan 8.230 nan 0.000 0.434 196 W N -0.730 120.517 121.300 -0.087 0.000 2.519 196 W HA -0.205 4.455 4.660 0.000 0.000 0.266 196 W C 2.473 178.813 176.519 -0.298 0.000 1.253 196 W CA 0.783 58.024 57.345 -0.173 0.000 1.274 196 W CB -0.216 29.142 29.460 -0.170 0.000 1.114 196 W HN 0.165 nan 8.180 nan 0.000 0.596 197 Y N 0.421 120.387 120.300 -0.556 0.000 2.153 197 Y HA -0.183 4.367 4.550 0.000 0.000 0.289 197 Y C 2.257 177.664 175.900 -0.823 0.000 1.119 197 Y CA 2.241 59.752 58.100 -0.982 0.000 1.116 197 Y CB -0.597 37.337 38.460 -0.878 0.000 1.004 197 Y HN -0.202 nan 8.280 nan 0.000 0.501 198 V N 1.731 121.469 119.914 -0.293 0.000 2.688 198 V HA -0.297 3.823 4.120 0.000 0.000 0.256 198 V C 2.348 178.216 176.094 -0.378 0.000 1.084 198 V CA 2.001 64.130 62.300 -0.286 0.000 1.103 198 V CB -0.694 30.946 31.823 -0.304 0.000 0.688 198 V HN 0.362 nan 8.190 nan 0.000 0.480 199 K N 1.115 121.239 120.400 -0.460 0.000 2.005 199 K HA -0.162 4.158 4.320 0.000 0.000 0.206 199 K C 2.148 178.383 176.600 -0.609 0.000 1.044 199 K CA 1.706 57.730 56.287 -0.439 0.000 0.942 199 K CB -0.129 32.156 32.500 -0.358 0.000 0.727 199 K HN 0.668 nan 8.250 nan 0.000 0.439 200 Q N -0.413 118.852 119.800 -0.891 0.000 2.515 200 Q HA -0.014 4.326 4.340 0.000 0.000 0.214 200 Q C 1.125 176.491 176.000 -1.056 0.000 0.971 200 Q CA 0.800 56.044 55.803 -0.932 0.000 0.952 200 Q CB -0.629 27.395 28.738 -1.191 0.000 0.999 200 Q HN 0.141 nan 8.270 nan 0.000 0.524 201 C N -0.444 118.199 119.300 -1.095 0.000 2.906 201 C HA 0.637 5.097 4.460 0.000 0.000 0.274 201 C C 1.561 175.805 174.990 -1.243 0.000 1.257 201 C CA -0.041 58.020 59.018 -1.594 0.000 1.695 201 C CB -0.713 26.242 27.740 -1.308 0.000 1.958 201 C HN 0.789 nan 8.230 nan 0.000 0.619 202 G N 0.571 108.924 108.800 -0.746 0.000 2.143 202 G HA2 0.243 4.203 3.960 0.000 0.000 0.249 202 G HA3 0.243 4.203 3.960 0.000 0.000 0.249 202 G C 0.466 175.206 174.900 -0.267 0.000 0.981 202 G CA 0.123 44.963 45.100 -0.433 0.000 0.665 202 G HN 1.755 nan 8.290 nan 0.000 0.528 203 G N -1.752 106.883 108.800 -0.275 0.000 2.722 203 G HA2 0.322 4.282 3.960 0.000 0.000 0.686 203 G HA3 0.322 4.282 3.960 0.000 0.000 0.686 203 G C 1.606 176.484 174.900 -0.036 0.000 1.282 203 G CA 0.957 45.975 45.100 -0.136 0.000 0.817 203 G HN 2.372 nan 8.290 nan 0.000 0.605 204 T N -0.858 113.719 114.554 0.037 0.000 2.019 204 T HA -0.447 3.903 4.350 0.000 0.000 0.163 204 T C 2.835 177.577 174.700 0.071 0.000 1.761 204 T CA 4.617 66.784 62.100 0.110 0.000 0.929 204 T CB -1.887 67.017 68.868 0.059 0.000 0.787 204 T HN 2.636 nan 8.240 nan 0.000 0.427 205 T N 1.035 115.610 114.554 0.036 0.000 2.714 205 T HA -0.259 4.091 4.350 0.000 0.000 0.268 205 T C 2.086 176.803 174.700 0.028 0.000 1.036 205 T CA 1.742 63.853 62.100 0.018 0.000 1.148 205 T CB -0.566 68.307 68.868 0.007 0.000 0.856 205 T HN 0.495 nan 8.240 nan 0.000 0.462 206 R N 0.774 121.294 120.500 0.033 0.000 2.064 206 R HA 0.226 4.566 4.340 0.000 0.000 0.228 206 R C 2.621 179.016 176.300 0.157 0.000 1.144 206 R CA 1.227 57.383 56.100 0.094 0.000 0.932 206 R CB -1.231 29.106 30.300 0.061 0.000 0.833 206 R HN 0.447 nan 8.270 nan 0.000 0.429 207 I N -0.055 120.580 120.570 0.108 0.000 2.113 207 I HA -0.281 3.889 4.170 0.000 0.000 0.242 207 I C 0.980 177.233 176.117 0.226 0.000 1.064 207 I CA 1.403 62.826 61.300 0.205 0.000 1.320 207 I CB 0.053 38.134 38.000 0.135 0.000 1.028 207 I HN 0.009 nan 8.210 nan 0.000 0.406 208 F N 1.656 121.590 119.950 -0.026 0.000 2.848 208 F HA 0.261 4.788 4.527 0.000 0.000 0.321 208 F C 0.943 176.707 175.800 -0.060 0.000 1.281 208 F CA -1.004 56.948 58.000 -0.081 0.000 1.209 208 F CB -0.193 38.681 39.000 -0.210 0.000 1.152 208 F HN -0.020 nan 8.300 nan 0.000 0.521 209 S N 0.538 116.149 115.700 -0.149 0.000 2.605 209 S HA 0.087 4.557 4.470 0.000 0.000 0.309 209 S C 0.044 174.445 174.600 -0.331 0.000 1.257 209 S CA 0.129 58.218 58.200 -0.185 0.000 1.033 209 S CB 0.184 63.294 63.200 -0.149 0.000 0.742 209 S HN 1.009 nan 8.310 nan 0.000 0.487 210 V N 2.755 122.546 119.914 -0.205 0.000 3.327 210 V HA -0.154 3.966 4.120 0.000 0.000 0.455 210 V C 0.960 176.963 176.094 -0.151 0.000 0.681 210 V CA 0.809 62.999 62.300 -0.183 0.000 1.970 210 V CB -2.492 29.201 31.823 -0.216 0.000 2.431 210 V HN 1.169 nan 8.190 nan 0.000 0.494 211 T N 1.762 116.275 114.554 -0.068 0.000 3.071 211 T HA 0.098 4.449 4.350 0.000 0.000 0.239 211 T C 1.010 175.719 174.700 0.015 0.000 0.997 211 T CA 1.152 63.248 62.100 -0.007 0.000 1.134 211 T CB 0.066 68.936 68.868 0.003 0.000 0.928 211 T HN 0.614 nan 8.240 nan 0.000 0.453 212 N N 1.025 119.725 118.700 0.001 0.000 2.467 212 N HA 0.506 5.246 4.740 0.000 0.000 0.278 212 N C -0.229 175.276 175.510 -0.009 0.000 1.306 212 N CA 0.157 53.212 53.050 0.009 0.000 0.905 212 N CB 1.043 39.540 38.487 0.017 0.000 1.236 212 N HN 0.532 nan 8.380 nan 0.000 0.509 213 G N -2.010 106.770 108.800 -0.032 0.000 2.484 213 G HA2 0.401 4.361 3.960 0.000 0.000 0.685 213 G HA3 0.401 4.361 3.960 0.000 0.000 0.685 213 G C -0.153 174.709 174.900 -0.064 0.000 1.294 213 G CA -0.482 44.590 45.100 -0.047 0.000 0.879 213 G HN 0.523 nan 8.290 nan 0.000 0.646 214 G N -0.651 108.103 108.800 -0.077 0.000 2.609 214 G HA2 0.625 4.585 3.960 0.000 0.000 0.082 214 G HA3 0.625 4.585 3.960 0.000 0.000 0.082 214 G C -0.745 174.100 174.900 -0.092 0.000 1.075 214 G CA 0.827 45.879 45.100 -0.080 0.000 1.172 214 G HN 1.447 nan 8.290 nan 0.000 0.532 215 Q N 0.964 120.699 119.800 -0.109 0.000 2.695 215 Q HA 0.468 4.808 4.340 0.000 0.000 0.246 215 Q C -1.198 174.714 176.000 -0.146 0.000 0.961 215 Q CA -0.348 55.389 55.803 -0.111 0.000 0.708 215 Q CB 0.936 29.626 28.738 -0.080 0.000 1.282 215 Q HN 0.423 nan 8.270 nan 0.000 0.482 216 E N 2.408 122.497 120.200 -0.186 0.000 2.212 216 E HA 0.568 4.918 4.350 0.000 0.000 0.270 216 E C -0.708 175.771 176.600 -0.202 0.000 0.956 216 E CA -0.752 55.521 56.400 -0.212 0.000 0.825 216 E CB 1.984 31.485 29.700 -0.332 0.000 1.167 216 E HN 0.507 nan 8.360 nan 0.000 0.400 217 R N 1.035 121.422 120.500 -0.188 0.000 2.795 217 R HA 0.533 4.873 4.340 0.000 0.000 0.275 217 R C -0.338 175.804 176.300 -0.264 0.000 0.981 217 R CA -0.846 55.100 56.100 -0.258 0.000 0.917 217 R CB 2.227 32.409 30.300 -0.197 0.000 1.202 217 R HN 0.195 nan 8.270 nan 0.000 0.469 218 K N 1.166 121.306 120.400 -0.433 0.000 2.267 218 K HA 0.425 4.745 4.320 0.000 0.000 0.246 218 K C -0.959 175.613 176.600 -0.047 0.000 0.954 218 K CA -0.801 55.324 56.287 -0.271 0.000 0.824 218 K CB 1.166 33.604 32.500 -0.102 0.000 1.167 218 K HN 0.220 nan 8.250 nan 0.000 0.431 219 F N 1.410 121.417 119.950 0.096 0.000 2.504 219 F HA 0.056 4.583 4.527 0.000 0.000 0.369 219 F C 0.580 176.482 175.800 0.170 0.000 1.082 219 F CA -0.759 57.309 58.000 0.113 0.000 1.216 219 F CB 0.333 39.341 39.000 0.013 0.000 1.108 219 F HN 0.049 nan 8.300 nan 0.000 0.554 220 V N 3.891 124.007 119.914 0.337 0.000 2.434 220 V HA 0.328 4.448 4.120 0.000 0.000 0.281 220 V C 0.948 176.880 176.094 -0.270 0.000 1.005 220 V CA 1.139 63.452 62.300 0.022 0.000 1.089 220 V CB 0.004 31.826 31.823 -0.003 0.000 0.978 220 V HN 1.084 nan 8.190 nan 0.000 0.474 221 G N 3.471 111.726 108.800 -0.909 0.000 2.184 221 G HA2 0.207 4.167 3.960 0.000 0.000 0.206 221 G HA3 0.207 4.167 3.960 0.000 0.000 0.206 221 G C 0.621 175.021 174.900 -0.834 0.000 0.995 221 G CA -0.233 44.128 45.100 -1.233 0.000 0.651 221 G HN 2.253 nan 8.290 nan 0.000 0.511 222 G N -0.931 107.596 108.800 -0.454 0.000 2.879 222 G HA2 0.308 4.268 3.960 0.000 0.000 0.686 222 G HA3 0.308 4.268 3.960 0.000 0.000 0.686 222 G C 0.844 175.794 174.900 0.084 0.000 1.115 222 G CA 0.848 45.942 45.100 -0.010 0.000 0.770 222 G HN 1.937 nan 8.290 nan 0.000 0.601 223 S N 0.734 116.552 115.700 0.198 0.000 2.603 223 S HA 0.163 4.633 4.470 0.000 0.000 0.229 223 S C 2.377 177.079 174.600 0.169 0.000 0.972 223 S CA 1.391 59.789 58.200 0.330 0.000 0.935 223 S CB 0.165 63.581 63.200 0.359 0.000 0.769 223 S HN 2.131 nan 8.310 nan 0.000 0.536 224 G N 1.296 110.173 108.800 0.129 0.000 2.535 224 G HA2 -0.110 3.850 3.960 0.000 0.000 0.218 224 G HA3 -0.110 3.850 3.960 0.000 0.000 0.218 224 G C 1.403 176.341 174.900 0.063 0.000 1.122 224 G CA 0.403 45.577 45.100 0.124 0.000 0.769 224 G HN 0.677 nan 8.290 nan 0.000 0.549 225 Q N -0.002 119.806 119.800 0.014 0.000 2.119 225 Q HA -0.054 4.286 4.340 0.000 0.000 0.201 225 Q C 2.700 178.660 176.000 -0.068 0.000 0.972 225 Q CA 1.118 56.895 55.803 -0.042 0.000 0.847 225 Q CB -0.294 28.388 28.738 -0.094 0.000 0.903 225 Q HN 0.392 nan 8.270 nan 0.000 0.433 226 V N 0.642 120.502 119.914 -0.090 0.000 2.282 226 V HA -0.308 3.812 4.120 0.000 0.000 0.249 226 V C 2.260 178.329 176.094 -0.042 0.000 1.057 226 V CA 2.122 64.357 62.300 -0.108 0.000 1.032 226 V CB -0.626 31.147 31.823 -0.083 0.000 0.645 226 V HN 0.301 nan 8.190 nan 0.000 0.447 227 S N -1.159 114.541 115.700 0.000 0.000 2.357 227 S HA -0.156 4.314 4.470 0.000 0.000 0.221 227 S C 1.944 176.545 174.600 0.002 0.000 1.031 227 S CA 1.424 59.631 58.200 0.012 0.000 0.982 227 S CB -0.142 63.081 63.200 0.039 0.000 0.853 227 S HN 0.704 nan 8.310 nan 0.000 0.458 228 E N 0.853 121.056 120.200 0.006 0.000 2.023 228 E HA -0.137 4.213 4.350 0.000 0.000 0.196 228 E C 2.415 179.007 176.600 -0.013 0.000 1.003 228 E CA 0.939 57.341 56.400 0.003 0.000 0.809 228 E CB -0.092 29.614 29.700 0.010 0.000 0.755 228 E HN 0.176 nan 8.360 nan 0.000 0.449 229 R N 0.502 120.985 120.500 -0.028 0.000 2.140 229 R HA -0.201 4.139 4.340 0.000 0.000 0.250 229 R C 2.347 178.629 176.300 -0.029 0.000 1.150 229 R CA 1.331 57.410 56.100 -0.036 0.000 0.966 229 R CB -0.916 29.348 30.300 -0.060 0.000 0.869 229 R HN 0.355 nan 8.270 nan 0.000 0.445 230 I N 0.424 120.978 120.570 -0.027 0.000 2.252 230 I HA -0.222 3.948 4.170 0.000 0.000 0.245 230 I C 2.705 178.812 176.117 -0.016 0.000 1.102 230 I CA 0.918 62.206 61.300 -0.021 0.000 1.385 230 I CB -0.304 37.686 38.000 -0.017 0.000 1.064 230 I HN 0.137 nan 8.210 nan 0.000 0.414 231 M N 0.505 120.096 119.600 -0.014 0.000 2.267 231 M HA -0.250 4.230 4.480 0.000 0.000 0.263 231 M C 1.637 177.930 176.300 -0.012 0.000 1.063 231 M CA 1.777 57.068 55.300 -0.014 0.000 1.090 231 M CB -0.402 32.192 32.600 -0.010 0.000 1.392 231 M HN 0.281 nan 8.290 nan 0.000 0.422 232 D N 0.377 120.770 120.400 -0.012 0.000 2.077 232 D HA -0.170 4.470 4.640 0.000 0.000 0.193 232 D C 1.975 178.269 176.300 -0.010 0.000 0.989 232 D CA 1.258 55.252 54.000 -0.010 0.000 0.831 232 D CB -0.388 40.404 40.800 -0.013 0.000 0.979 232 D HN 0.359 nan 8.370 nan 0.000 0.449 233 L N 0.637 121.853 121.223 -0.012 0.000 2.171 233 L HA -0.234 4.106 4.340 0.000 0.000 0.216 233 L C 2.479 179.346 176.870 -0.005 0.000 1.084 233 L CA 1.101 55.935 54.840 -0.010 0.000 0.771 233 L CB -0.462 41.589 42.059 -0.013 0.000 0.890 233 L HN 0.123 nan 8.230 nan 0.000 0.437 234 L N -2.243 118.977 121.223 -0.006 0.000 2.316 234 L HA 0.187 4.527 4.340 0.000 0.000 0.207 234 L C 1.795 178.665 176.870 0.001 0.000 1.070 234 L CA 0.608 55.448 54.840 -0.001 0.000 0.820 234 L CB -0.489 41.563 42.059 -0.011 0.000 0.992 234 L HN 0.392 nan 8.230 nan 0.000 0.466 235 G N 1.881 110.679 108.800 -0.004 0.000 2.595 235 G HA2 -0.466 3.494 3.960 0.000 0.000 0.297 235 G HA3 -0.466 3.494 3.960 0.000 0.000 0.297 235 G C 0.576 175.475 174.900 -0.001 0.000 1.181 235 G CA 0.632 45.732 45.100 -0.000 0.000 0.963 235 G HN 0.493 nan 8.290 nan 0.000 0.541 236 D N 1.043 121.448 120.400 0.009 0.000 2.347 236 D HA 0.054 4.694 4.640 0.000 0.000 0.215 236 D C 2.069 178.370 176.300 0.002 0.000 0.976 236 D CA 1.549 55.556 54.000 0.011 0.000 0.884 236 D CB -0.458 40.359 40.800 0.027 0.000 0.915 236 D HN 0.674 nan 8.370 nan 0.000 0.526 237 Q N 0.013 119.815 119.800 0.004 0.000 2.488 237 Q HA 0.057 4.397 4.340 0.000 0.000 0.211 237 Q C 0.003 175.928 176.000 -0.125 0.000 0.967 237 Q CA 0.363 56.152 55.803 -0.024 0.000 0.926 237 Q CB 0.662 29.418 28.738 0.030 0.000 0.992 237 Q HN 0.223 nan 8.270 nan 0.000 0.506 238 V N 1.992 121.849 119.914 -0.095 0.000 2.347 238 V HA 0.166 4.286 4.120 0.000 0.000 0.280 238 V C -0.184 175.839 176.094 -0.118 0.000 1.021 238 V CA -0.414 61.815 62.300 -0.118 0.000 0.847 238 V CB 1.441 33.222 31.823 -0.071 0.000 0.990 238 V HN 0.044 nan 8.190 nan 0.000 0.444 239 K N 5.239 125.527 120.400 -0.187 0.000 2.183 239 K HA 0.632 4.952 4.320 0.000 0.000 0.274 239 K C -0.661 175.917 176.600 -0.037 0.000 1.009 239 K CA -0.388 55.807 56.287 -0.154 0.000 0.888 239 K CB 1.653 33.898 32.500 -0.425 0.000 1.078 239 K HN 0.477 nan 8.250 nan 0.000 0.459 240 L N 1.783 123.047 121.223 0.067 0.000 2.544 240 L HA 0.259 4.599 4.340 0.000 0.000 0.256 240 L C 0.182 177.131 176.870 0.131 0.000 1.097 240 L CA -0.596 54.279 54.840 0.059 0.000 0.812 240 L CB 0.511 42.577 42.059 0.012 0.000 1.440 240 L HN 0.747 nan 8.230 nan 0.000 0.496 241 N N -0.198 118.493 118.700 -0.015 0.000 2.698 241 N HA -0.242 4.498 4.740 0.000 0.000 0.258 241 N C -1.068 174.324 175.510 -0.196 0.000 0.978 241 N CA 0.461 53.447 53.050 -0.107 0.000 0.777 241 N CB -1.108 37.315 38.487 -0.106 0.000 0.907 241 N HN 0.460 nan 8.380 nan 0.000 0.543 242 H N -1.650 117.363 119.070 -0.096 0.000 2.607 242 H HA 0.295 4.851 4.556 0.000 0.000 0.248 242 H C -2.615 172.671 175.328 -0.070 0.000 1.355 242 H CA -1.558 54.460 56.048 -0.051 0.000 1.524 242 H CB 0.984 30.733 29.762 -0.021 0.000 1.563 242 H HN 0.069 nan 8.280 nan 0.000 0.509 243 P HA 0.016 nan 4.420 nan 0.000 0.271 243 P C -0.384 176.945 177.300 0.049 0.000 1.216 243 P CA -0.194 62.919 63.100 0.021 0.000 0.771 243 P CB 1.232 32.975 31.700 0.073 0.000 0.864 244 V N 3.210 123.140 119.914 0.027 0.000 2.481 244 V HA 0.364 4.484 4.120 0.000 0.000 0.286 244 V C 1.233 177.269 176.094 -0.096 0.000 1.042 244 V CA 0.379 62.678 62.300 -0.001 0.000 0.928 244 V CB 1.235 33.056 31.823 -0.005 0.000 0.986 244 V HN 0.785 nan 8.190 nan 0.000 0.462 245 T N 0.219 114.679 114.554 -0.157 0.000 3.080 245 T HA 0.307 4.657 4.350 0.000 0.000 0.280 245 T C 0.014 174.279 174.700 -0.726 0.000 0.926 245 T CA 0.027 61.886 62.100 -0.402 0.000 0.883 245 T CB -0.033 68.629 68.868 -0.344 0.000 1.194 245 T HN 0.699 nan 8.240 nan 0.000 0.541 246 H N -0.577 118.449 119.070 -0.074 0.000 3.038 246 H HA 0.635 5.191 4.556 0.000 0.000 0.362 246 H C -1.307 173.964 175.328 -0.095 0.000 1.167 246 H CA -0.863 55.153 56.048 -0.055 0.000 1.197 246 H CB 2.432 32.227 29.762 0.055 0.000 1.840 246 H HN 0.025 nan 8.280 nan 0.000 0.540 247 V N 1.730 121.632 119.914 -0.019 0.000 2.502 247 V HA 0.047 4.167 4.120 0.000 0.000 0.261 247 V C -0.166 175.989 176.094 0.102 0.000 0.996 247 V CA -0.596 61.704 62.300 0.001 0.000 1.095 247 V CB 0.615 32.365 31.823 -0.121 0.000 1.325 247 V HN 0.788 nan 8.190 nan 0.000 0.574 248 D N 2.268 122.740 120.400 0.120 0.000 2.376 248 D HA -0.054 4.586 4.640 0.000 0.000 0.278 248 D C 0.962 177.321 176.300 0.098 0.000 1.384 248 D CA 0.662 54.728 54.000 0.110 0.000 1.033 248 D CB 0.755 41.606 40.800 0.085 0.000 1.102 248 D HN 0.516 nan 8.370 nan 0.000 0.530 249 Q N 2.436 122.300 119.800 0.107 0.000 2.222 249 Q HA -0.013 4.327 4.340 0.000 0.000 0.206 249 Q C 1.290 177.319 176.000 0.049 0.000 0.877 249 Q CA -0.176 55.676 55.803 0.082 0.000 0.958 249 Q CB 0.353 29.155 28.738 0.107 0.000 1.075 249 Q HN 0.573 nan 8.270 nan 0.000 0.483 250 S N -0.144 115.585 115.700 0.048 0.000 2.374 250 S HA -0.086 4.384 4.470 0.000 0.000 0.207 250 S C 1.239 175.848 174.600 0.015 0.000 1.042 250 S CA 0.806 59.025 58.200 0.030 0.000 1.034 250 S CB -0.709 62.508 63.200 0.029 0.000 1.018 250 S HN 0.400 nan 8.310 nan 0.000 0.419 251 S N 2.463 118.171 115.700 0.013 0.000 2.608 251 S HA 0.183 4.653 4.470 0.000 0.000 0.261 251 S C 0.501 175.102 174.600 0.001 0.000 1.314 251 S CA 0.122 58.326 58.200 0.005 0.000 0.992 251 S CB 0.372 63.574 63.200 0.004 0.000 0.935 251 S HN 0.608 nan 8.310 nan 0.000 0.564 252 D N -0.309 120.089 120.400 -0.004 0.000 2.389 252 D HA -0.100 4.540 4.640 0.000 0.000 0.221 252 D C 0.097 176.394 176.300 -0.005 0.000 0.974 252 D CA 0.718 54.711 54.000 -0.012 0.000 0.923 252 D CB -0.569 40.227 40.800 -0.007 0.000 0.892 252 D HN 0.376 nan 8.370 nan 0.000 0.518 253 N N 0.405 119.110 118.700 0.010 0.000 2.511 253 N HA 0.253 4.993 4.740 0.000 0.000 0.249 253 N C -0.821 174.713 175.510 0.039 0.000 0.971 253 N CA -0.632 52.435 53.050 0.028 0.000 0.938 253 N CB 0.751 39.258 38.487 0.033 0.000 1.131 253 N HN 0.055 nan 8.380 nan 0.000 0.505 254 I N 3.308 123.906 120.570 0.047 0.000 2.710 254 I HA 0.057 4.228 4.170 0.000 0.000 0.286 254 I C 0.514 176.691 176.117 0.100 0.000 1.181 254 I CA 0.345 61.686 61.300 0.068 0.000 1.430 254 I CB 0.597 38.642 38.000 0.074 0.000 1.367 254 I HN 0.305 nan 8.210 nan 0.000 0.577 255 I N 7.453 128.085 120.570 0.104 0.000 2.382 255 I HA 0.293 4.463 4.170 0.000 0.000 0.285 255 I C -0.382 175.832 176.117 0.162 0.000 1.007 255 I CA -0.611 60.770 61.300 0.134 0.000 1.142 255 I CB 1.193 39.255 38.000 0.102 0.000 1.289 255 I HN 0.358 nan 8.210 nan 0.000 0.453 256 I N 6.149 126.837 120.570 0.196 0.000 2.499 256 I HA 0.338 4.508 4.170 0.000 0.000 0.296 256 I C 0.213 176.443 176.117 0.188 0.000 0.992 256 I CA -0.108 61.306 61.300 0.189 0.000 1.297 256 I CB 0.988 39.120 38.000 0.220 0.000 1.410 256 I HN 0.531 nan 8.210 nan 0.000 0.507 257 E N 2.645 122.932 120.200 0.144 0.000 2.317 257 E HA 0.630 4.980 4.350 0.000 0.000 0.270 257 E C -1.168 175.492 176.600 0.100 0.000 0.885 257 E CA -0.619 55.801 56.400 0.034 0.000 0.760 257 E CB 1.723 31.448 29.700 0.041 0.000 1.227 257 E HN 0.759 nan 8.360 nan 0.000 0.434 258 T N 0.263 114.848 114.554 0.053 0.000 2.919 258 T HA 0.262 4.612 4.350 0.000 0.000 0.282 258 T C 0.911 175.648 174.700 0.063 0.000 1.020 258 T CA -0.805 61.359 62.100 0.107 0.000 0.994 258 T CB 0.859 69.864 68.868 0.228 0.000 1.180 258 T HN 0.385 nan 8.240 nan 0.000 0.566 259 L N 1.436 122.662 121.223 0.004 0.000 1.976 259 L HA 0.001 4.341 4.340 0.000 0.000 0.209 259 L C 2.112 178.816 176.870 -0.278 0.000 1.071 259 L CA 2.153 56.944 54.840 -0.081 0.000 0.746 259 L CB -1.340 40.682 42.059 -0.063 0.000 0.890 259 L HN 0.889 nan 8.230 nan 0.000 0.432 260 N N -0.581 117.984 118.700 -0.226 0.000 2.626 260 N HA -0.214 4.526 4.740 0.000 0.000 0.193 260 N C -0.160 175.229 175.510 -0.201 0.000 1.213 260 N CA 0.790 53.684 53.050 -0.259 0.000 0.914 260 N CB -1.091 37.284 38.487 -0.186 0.000 0.994 260 N HN 0.757 nan 8.380 nan 0.000 0.447 261 H N -1.555 117.488 119.070 -0.044 0.000 2.791 261 H HA -0.151 4.405 4.556 0.000 0.000 0.302 261 H C -0.803 174.431 175.328 -0.156 0.000 1.198 261 H CA 0.590 56.563 56.048 -0.124 0.000 1.145 261 H CB -1.893 27.847 29.762 -0.037 0.000 1.385 261 H HN 0.484 nan 8.280 nan 0.000 0.409 262 E N 1.629 121.803 120.200 -0.043 0.000 2.081 262 E HA 0.142 4.492 4.350 0.000 0.000 0.281 262 E C 0.003 176.305 176.600 -0.496 0.000 0.986 262 E CA -0.514 55.809 56.400 -0.129 0.000 0.796 262 E CB 0.616 30.391 29.700 0.125 0.000 1.085 262 E HN 0.345 nan 8.360 nan 0.000 0.398 263 H N 2.837 121.637 119.070 -0.449 0.000 2.508 263 H HA 0.270 4.826 4.556 0.000 0.000 0.358 263 H C -0.699 174.083 175.328 -0.910 0.000 1.212 263 H CA -0.016 55.770 56.048 -0.436 0.000 1.356 263 H CB 0.774 30.431 29.762 -0.174 0.000 1.525 263 H HN 0.478 nan 8.280 nan 0.000 0.578 264 Y N -0.834 119.599 120.300 0.222 0.000 2.597 264 Y HA 0.280 4.830 4.550 0.000 0.000 0.340 264 Y C -0.262 175.749 175.900 0.184 0.000 1.097 264 Y CA -0.942 57.274 58.100 0.193 0.000 1.037 264 Y CB 1.785 40.308 38.460 0.105 0.000 1.305 264 Y HN 0.506 nan 8.280 nan 0.000 0.463 265 E N 1.197 121.611 120.200 0.357 0.000 2.272 265 E HA 0.716 5.066 4.350 0.000 0.000 0.269 265 E C -1.346 175.407 176.600 0.256 0.000 0.877 265 E CA -0.831 55.717 56.400 0.245 0.000 0.755 265 E CB 2.476 32.278 29.700 0.170 0.000 1.192 265 E HN 0.797 nan 8.360 nan 0.000 0.422 266 C N -0.058 119.358 119.300 0.193 0.000 3.314 266 C HA 0.489 4.949 4.460 0.000 0.000 0.344 266 C C 0.070 175.130 174.990 0.116 0.000 1.461 266 C CA -0.642 58.489 59.018 0.188 0.000 1.249 266 C CB 1.128 28.996 27.740 0.213 0.000 1.632 266 C HN 0.897 nan 8.230 nan 0.000 0.452 267 K N -0.739 119.733 120.400 0.120 0.000 2.391 267 K HA 0.271 4.591 4.320 0.000 0.000 0.197 267 K C -1.024 175.413 176.600 -0.272 0.000 1.087 267 K CA 0.522 56.784 56.287 -0.042 0.000 1.012 267 K CB 0.577 33.095 32.500 0.029 0.000 0.925 267 K HN 0.688 nan 8.250 nan 0.000 0.547 268 Y N 0.484 120.858 120.300 0.124 0.000 2.441 268 Y HA 0.266 4.816 4.550 0.000 0.000 0.334 268 Y C -0.264 175.723 175.900 0.145 0.000 1.061 268 Y CA -1.090 57.101 58.100 0.152 0.000 1.032 268 Y CB 1.855 40.413 38.460 0.163 0.000 1.266 268 Y HN -0.344 nan 8.280 nan 0.000 0.441 269 V N 4.207 124.296 119.914 0.292 0.000 3.234 269 V HA 0.518 4.638 4.120 0.000 0.000 0.317 269 V C -0.337 175.928 176.094 0.285 0.000 1.081 269 V CA -0.880 61.563 62.300 0.238 0.000 1.037 269 V CB 2.122 34.078 31.823 0.222 0.000 1.148 269 V HN 0.619 nan 8.190 nan 0.000 0.453 270 I N 1.676 122.391 120.570 0.242 0.000 2.571 270 I HA 0.264 4.434 4.170 0.000 0.000 0.286 270 I C -0.719 175.562 176.117 0.274 0.000 1.134 270 I CA -0.313 61.146 61.300 0.266 0.000 1.052 270 I CB 1.859 39.965 38.000 0.176 0.000 1.237 270 I HN 0.701 nan 8.210 nan 0.000 0.435 271 N N 4.425 123.376 118.700 0.418 0.000 2.430 271 N HA 0.501 5.241 4.740 0.000 0.000 0.265 271 N C 0.353 176.037 175.510 0.290 0.000 1.100 271 N CA 0.161 53.437 53.050 0.378 0.000 0.961 271 N CB 1.370 40.138 38.487 0.468 0.000 1.075 271 N HN 0.724 nan 8.380 nan 0.000 0.478 272 A N 4.359 127.289 122.820 0.183 0.000 2.427 272 A HA 0.198 4.518 4.320 0.000 0.000 0.225 272 A C 0.730 178.385 177.584 0.118 0.000 1.257 272 A CA -0.434 51.690 52.037 0.145 0.000 0.985 272 A CB -0.334 18.732 19.000 0.110 0.000 1.136 272 A HN 0.764 nan 8.150 nan 0.000 0.538 273 I N -0.990 119.643 120.570 0.106 0.000 2.882 273 I HA 0.372 4.542 4.170 0.000 0.000 0.286 273 I C -2.450 173.718 176.117 0.086 0.000 1.139 273 I CA -1.767 59.590 61.300 0.095 0.000 1.379 273 I CB 0.583 38.636 38.000 0.088 0.000 1.410 273 I HN -0.068 nan 8.210 nan 0.000 0.594 274 P HA 0.296 nan 4.420 nan 0.000 0.276 274 P C -2.389 174.928 177.300 0.028 0.000 1.261 274 P CA -1.502 61.645 63.100 0.080 0.000 0.800 274 P CB -0.096 31.667 31.700 0.105 0.000 1.066 275 P HA -0.132 nan 4.420 nan 0.000 0.218 275 P C 1.746 178.998 177.300 -0.080 0.000 1.149 275 P CA 1.767 64.828 63.100 -0.066 0.000 0.817 275 P CB -0.471 31.192 31.700 -0.062 0.000 0.785 276 T N -0.702 113.821 114.554 -0.052 0.000 2.701 276 T HA -0.100 4.250 4.350 0.000 0.000 0.263 276 T C 1.703 176.377 174.700 -0.044 0.000 1.040 276 T CA 1.227 63.290 62.100 -0.061 0.000 1.147 276 T CB -0.915 67.925 68.868 -0.047 0.000 0.865 276 T HN -0.047 nan 8.240 nan 0.000 0.426 277 L N 0.732 121.948 121.223 -0.013 0.000 2.291 277 L HA 0.029 4.369 4.340 0.000 0.000 0.214 277 L C 2.940 179.811 176.870 0.003 0.000 1.120 277 L CA 1.151 55.990 54.840 -0.002 0.000 0.799 277 L CB -1.086 40.998 42.059 0.041 0.000 0.925 277 L HN 0.297 nan 8.230 nan 0.000 0.446 278 T N 0.585 115.140 114.554 0.002 0.000 2.674 278 T HA -0.180 4.170 4.350 0.000 0.000 0.265 278 T C 2.173 176.912 174.700 0.066 0.000 1.039 278 T CA 1.455 63.574 62.100 0.031 0.000 1.150 278 T CB -0.301 68.510 68.868 -0.094 0.000 0.864 278 T HN 0.444 nan 8.240 nan 0.000 0.427 279 A N 1.420 124.225 122.820 -0.025 0.000 1.986 279 A HA -0.178 4.142 4.320 0.000 0.000 0.220 279 A C 2.174 179.757 177.584 -0.002 0.000 1.171 279 A CA 1.844 53.861 52.037 -0.033 0.000 0.640 279 A CB -0.591 18.356 19.000 -0.088 0.000 0.811 279 A HN 0.455 nan 8.150 nan 0.000 0.451 280 K N -0.844 119.534 120.400 -0.037 0.000 2.439 280 K HA 0.077 4.397 4.320 0.000 0.000 0.197 280 K C -0.118 176.344 176.600 -0.230 0.000 1.041 280 K CA 0.045 56.269 56.287 -0.106 0.000 0.970 280 K CB -0.266 32.172 32.500 -0.102 0.000 0.773 280 K HN 0.572 nan 8.250 nan 0.000 0.479 281 I N 1.397 121.879 120.570 -0.146 0.000 2.662 281 I HA -0.005 4.165 4.170 0.000 0.000 0.291 281 I C 0.238 176.111 176.117 -0.406 0.000 1.046 281 I CA -0.564 60.498 61.300 -0.398 0.000 1.361 281 I CB 0.784 38.452 38.000 -0.554 0.000 1.429 281 I HN 0.089 nan 8.210 nan 0.000 0.558 282 H N 5.795 124.710 119.070 -0.258 0.000 2.761 282 H HA 0.251 4.807 4.556 0.000 0.000 0.284 282 H C -0.959 174.308 175.328 -0.103 0.000 1.105 282 H CA -0.408 55.612 56.048 -0.047 0.000 1.352 282 H CB -0.129 29.700 29.762 0.112 0.000 1.423 282 H HN 0.257 nan 8.280 nan 0.000 0.464 283 F N 1.520 121.566 119.950 0.161 0.000 2.404 283 F HA 0.422 4.949 4.527 0.000 0.000 0.358 283 F C 1.313 177.193 175.800 0.132 0.000 1.120 283 F CA -0.596 57.486 58.000 0.137 0.000 1.144 283 F CB 0.712 39.774 39.000 0.103 0.000 1.133 283 F HN 0.483 nan 8.300 nan 0.000 0.495 284 R N 4.149 124.801 120.500 0.255 0.000 2.275 284 R HA 0.646 4.986 4.340 0.000 0.000 0.326 284 R C -3.241 173.146 176.300 0.144 0.000 0.973 284 R CA -2.029 54.175 56.100 0.173 0.000 0.854 284 R CB -0.122 30.252 30.300 0.122 0.000 1.156 284 R HN 0.342 nan 8.270 nan 0.000 0.487 285 P HA 0.189 nan 4.420 nan 0.000 0.279 285 P C -0.613 176.775 177.300 0.148 0.000 1.252 285 P CA -0.651 62.517 63.100 0.113 0.000 0.811 285 P CB 0.770 32.511 31.700 0.069 0.000 1.035 286 E N 0.907 121.179 120.200 0.121 0.000 2.534 286 E HA -0.043 4.307 4.350 0.000 0.000 0.264 286 E C 0.125 176.745 176.600 0.034 0.000 0.981 286 E CA 0.409 56.871 56.400 0.103 0.000 0.948 286 E CB 0.199 29.938 29.700 0.065 0.000 0.934 286 E HN 0.373 nan 8.360 nan 0.000 0.459 287 L N 5.027 126.217 121.223 -0.055 0.000 2.485 287 L HA 0.099 4.439 4.340 0.000 0.000 0.275 287 L C -1.637 175.192 176.870 -0.068 0.000 1.207 287 L CA -1.572 53.187 54.840 -0.136 0.000 0.855 287 L CB -0.294 41.575 42.059 -0.316 0.000 1.114 287 L HN 0.276 nan 8.230 nan 0.000 0.485 288 P HA 0.037 nan 4.420 nan 0.000 0.271 288 P C 0.261 177.541 177.300 -0.033 0.000 1.216 288 P CA -0.218 62.866 63.100 -0.026 0.000 0.776 288 P CB 1.183 32.873 31.700 -0.017 0.000 0.881 289 A N 3.416 126.224 122.820 -0.020 0.000 1.896 289 A HA -0.301 4.019 4.320 0.000 0.000 0.220 289 A C 2.218 179.792 177.584 -0.017 0.000 1.206 289 A CA 2.432 54.455 52.037 -0.023 0.000 0.647 289 A CB -1.654 17.344 19.000 -0.003 0.000 0.828 289 A HN 0.710 nan 8.150 nan 0.000 0.455 290 E N -0.708 119.507 120.200 0.025 0.000 2.108 290 E HA -0.323 4.027 4.350 0.000 0.000 0.203 290 E C 2.275 178.900 176.600 0.042 0.000 1.022 290 E CA 2.035 58.490 56.400 0.092 0.000 0.823 290 E CB -0.161 29.573 29.700 0.057 0.000 0.744 290 E HN 0.674 nan 8.360 nan 0.000 0.456 291 R N -0.030 120.453 120.500 -0.029 0.000 2.066 291 R HA -0.107 4.233 4.340 0.000 0.000 0.224 291 R C 2.367 178.569 176.300 -0.164 0.000 1.122 291 R CA 1.176 57.229 56.100 -0.078 0.000 0.974 291 R CB -0.348 29.923 30.300 -0.048 0.000 0.871 291 R HN 0.127 nan 8.270 nan 0.000 0.435 292 N N 0.710 119.321 118.700 -0.148 0.000 2.144 292 N HA -0.253 4.487 4.740 0.000 0.000 0.195 292 N C 1.439 176.822 175.510 -0.212 0.000 1.006 292 N CA 1.861 54.814 53.050 -0.162 0.000 0.880 292 N CB -0.102 38.320 38.487 -0.108 0.000 1.018 292 N HN 0.333 nan 8.380 nan 0.000 0.443 293 Q N 0.391 120.020 119.800 -0.285 0.000 1.889 293 Q HA -0.136 4.204 4.340 0.000 0.000 0.211 293 Q C 2.165 177.859 176.000 -0.510 0.000 0.988 293 Q CA 0.975 56.481 55.803 -0.495 0.000 0.861 293 Q CB -1.271 26.905 28.738 -0.936 0.000 0.922 293 Q HN 0.420 nan 8.270 nan 0.000 0.425 294 L N 1.607 122.502 121.223 -0.546 0.000 2.082 294 L HA -0.264 4.076 4.340 0.000 0.000 0.223 294 L C 2.335 179.011 176.870 -0.324 0.000 1.086 294 L CA 2.038 56.649 54.840 -0.382 0.000 0.793 294 L CB -0.846 41.116 42.059 -0.161 0.000 0.896 294 L HN 0.488 nan 8.230 nan 0.000 0.441 295 I N -3.260 117.150 120.570 -0.268 0.000 2.127 295 I HA -0.330 3.840 4.170 0.000 0.000 0.241 295 I C 2.410 178.388 176.117 -0.232 0.000 1.075 295 I CA 1.690 62.849 61.300 -0.234 0.000 1.334 295 I CB -0.905 36.962 38.000 -0.222 0.000 1.040 295 I HN 0.277 nan 8.210 nan 0.000 0.405 296 Q N 0.793 120.452 119.800 -0.235 0.000 2.096 296 Q HA -0.104 4.237 4.340 0.000 0.000 0.204 296 Q C 2.234 178.089 176.000 -0.242 0.000 0.982 296 Q CA 1.671 57.350 55.803 -0.207 0.000 0.850 296 Q CB -0.227 28.397 28.738 -0.190 0.000 0.901 296 Q HN 0.453 nan 8.270 nan 0.000 0.422 297 R N -0.289 120.022 120.500 -0.316 0.000 2.335 297 R HA 0.171 4.511 4.340 0.000 0.000 0.223 297 R C -0.573 175.457 176.300 -0.450 0.000 0.940 297 R CA -0.092 55.800 56.100 -0.347 0.000 1.086 297 R CB 0.095 30.177 30.300 -0.363 0.000 1.073 297 R HN 0.154 nan 8.270 nan 0.000 0.504 298 L N 1.700 122.654 121.223 -0.448 0.000 2.295 298 L HA 0.456 4.796 4.340 0.000 0.000 0.285 298 L C -2.261 174.374 176.870 -0.391 0.000 1.035 298 L CA -2.145 52.367 54.840 -0.547 0.000 0.806 298 L CB 1.412 43.150 42.059 -0.535 0.000 1.214 298 L HN -0.115 nan 8.230 nan 0.000 0.426 299 P HA 0.498 nan 4.420 nan 0.000 0.287 299 P C -1.187 176.140 177.300 0.045 0.000 1.290 299 P CA -0.851 62.117 63.100 -0.220 0.000 0.889 299 P CB 1.297 32.846 31.700 -0.252 0.000 1.190 300 M N 0.361 120.073 119.600 0.186 0.000 2.478 300 M HA 0.467 4.947 4.480 0.000 0.000 0.327 300 M C 0.976 177.419 176.300 0.238 0.000 1.187 300 M CA -0.561 54.883 55.300 0.241 0.000 1.022 300 M CB 0.855 33.550 32.600 0.159 0.000 1.629 300 M HN 0.460 nan 8.290 nan 0.000 0.461 301 G N 1.018 109.904 108.800 0.143 0.000 2.611 301 G HA2 0.576 4.536 3.960 0.000 0.000 0.273 301 G HA3 0.576 4.536 3.960 0.000 0.000 0.273 301 G C -1.058 173.826 174.900 -0.027 0.000 1.305 301 G CA -0.441 44.626 45.100 -0.055 0.000 1.010 301 G HN 0.858 nan 8.290 nan 0.000 0.509 302 A N -0.859 121.915 122.820 -0.078 0.000 2.335 302 A HA 0.680 5.000 4.320 0.000 0.000 0.304 302 A C -0.757 176.840 177.584 0.022 0.000 1.118 302 A CA -0.487 51.553 52.037 0.005 0.000 0.757 302 A CB 1.429 20.435 19.000 0.009 0.000 1.188 302 A HN 1.643 nan 8.150 nan 0.000 0.460 303 V N 1.155 121.146 119.914 0.128 0.000 2.891 303 V HA 0.560 4.680 4.120 0.000 0.000 0.304 303 V C -0.672 175.612 176.094 0.317 0.000 1.171 303 V CA -0.553 61.876 62.300 0.214 0.000 0.943 303 V CB 1.404 33.383 31.823 0.261 0.000 1.037 303 V HN 0.733 nan 8.190 nan 0.000 0.427 304 I N 2.666 123.409 120.570 0.288 0.000 2.392 304 I HA 0.556 4.726 4.170 0.000 0.000 0.295 304 I C -0.013 176.297 176.117 0.321 0.000 0.985 304 I CA -0.465 60.999 61.300 0.274 0.000 1.221 304 I CB 1.804 39.910 38.000 0.176 0.000 1.366 304 I HN 0.665 nan 8.210 nan 0.000 0.467 305 K N 4.983 125.556 120.400 0.287 0.000 2.206 305 K HA 0.626 4.946 4.320 0.000 0.000 0.264 305 K C -1.673 174.922 176.600 -0.007 0.000 0.967 305 K CA -0.400 55.991 56.287 0.173 0.000 0.844 305 K CB 1.289 33.974 32.500 0.308 0.000 1.099 305 K HN 0.671 nan 8.250 nan 0.000 0.441 306 C N 5.241 124.464 119.300 -0.128 0.000 2.547 306 C HA 0.358 4.818 4.460 0.000 0.000 0.327 306 C C -0.775 174.077 174.990 -0.231 0.000 1.076 306 C CA -0.990 57.914 59.018 -0.190 0.000 1.390 306 C CB 0.221 27.950 27.740 -0.017 0.000 1.918 306 C HN 0.811 nan 8.230 nan 0.000 0.438 307 M N 3.882 123.277 119.600 -0.343 0.000 2.156 307 M HA 0.392 4.872 4.480 0.000 0.000 0.345 307 M C -0.119 176.044 176.300 -0.228 0.000 1.398 307 M CA -0.162 54.957 55.300 -0.302 0.000 1.148 307 M CB 0.339 32.825 32.600 -0.190 0.000 1.663 307 M HN 0.523 nan 8.290 nan 0.000 0.464 308 M N 4.634 124.173 119.600 -0.103 0.000 2.129 308 M HA 0.404 4.884 4.480 0.000 0.000 0.348 308 M C -1.616 174.629 176.300 -0.093 0.000 1.116 308 M CA -0.174 55.154 55.300 0.046 0.000 1.022 308 M CB 0.595 33.347 32.600 0.254 0.000 1.599 308 M HN 0.507 nan 8.290 nan 0.000 0.449 309 Y N 3.441 123.748 120.300 0.012 0.000 2.403 309 Y HA 0.601 5.151 4.550 0.000 0.000 0.323 309 Y C -0.892 174.991 175.900 -0.028 0.000 1.226 309 Y CA -0.044 58.120 58.100 0.106 0.000 1.235 309 Y CB 1.252 39.802 38.460 0.151 0.000 1.248 309 Y HN 0.563 nan 8.280 nan 0.000 0.489 310 Y N -0.362 120.214 120.300 0.459 0.000 2.588 310 Y HA 0.260 4.810 4.550 0.000 0.000 0.343 310 Y C 0.857 176.964 175.900 0.344 0.000 1.065 310 Y CA -1.404 56.960 58.100 0.439 0.000 1.038 310 Y CB 2.013 40.869 38.460 0.661 0.000 1.297 310 Y HN 0.479 nan 8.280 nan 0.000 0.467 311 K N 0.609 121.270 120.400 0.436 0.000 2.007 311 K HA 0.021 4.341 4.320 0.000 0.000 0.206 311 K C -0.380 176.372 176.600 0.252 0.000 1.047 311 K CA 1.256 57.707 56.287 0.274 0.000 0.937 311 K CB 0.145 32.762 32.500 0.195 0.000 0.718 311 K HN 0.753 nan 8.250 nan 0.000 0.438 312 E N -0.853 119.525 120.200 0.295 0.000 2.242 312 E HA 0.246 4.596 4.350 0.000 0.000 0.275 312 E C -0.596 176.087 176.600 0.137 0.000 1.002 312 E CA -0.359 56.149 56.400 0.181 0.000 0.841 312 E CB 1.686 31.481 29.700 0.159 0.000 1.109 312 E HN 0.316 nan 8.360 nan 0.000 0.394 313 A N 3.835 126.492 122.820 -0.272 0.000 2.291 313 A HA -0.003 4.317 4.320 0.000 0.000 0.220 313 A C 1.332 177.988 177.584 -1.546 0.000 1.262 313 A CA 0.026 51.361 52.037 -1.171 0.000 0.867 313 A CB -1.057 17.404 19.000 -0.898 0.000 0.888 313 A HN 0.816 nan 8.150 nan 0.000 0.487 314 F N -0.688 118.910 119.950 -0.586 0.000 2.056 314 F HA -0.463 4.064 4.527 0.000 0.000 0.282 314 F C 1.741 177.408 175.800 -0.223 0.000 1.056 314 F CA 2.045 59.875 58.000 -0.284 0.000 1.318 314 F CB -1.696 37.255 39.000 -0.081 0.000 0.973 314 F HN 0.552 nan 8.300 nan 0.000 0.490 315 W N 1.266 122.069 121.300 -0.827 0.000 2.342 315 W HA -0.043 4.617 4.660 0.000 0.000 0.297 315 W C 2.066 178.479 176.519 -0.175 0.000 1.213 315 W CA 1.278 58.360 57.345 -0.438 0.000 1.251 315 W CB -0.972 28.139 29.460 -0.582 0.000 1.136 315 W HN -0.005 nan 8.180 nan 0.000 0.526 316 K N 1.313 121.275 120.400 -0.730 0.000 2.002 316 K HA -0.232 4.088 4.320 0.000 0.000 0.209 316 K C 2.106 178.541 176.600 -0.275 0.000 1.048 316 K CA 2.053 58.085 56.287 -0.426 0.000 0.930 316 K CB -0.581 31.603 32.500 -0.527 0.000 0.714 316 K HN 0.186 nan 8.250 nan 0.000 0.438 317 K N 1.278 121.517 120.400 -0.268 0.000 2.189 317 K HA -0.212 4.108 4.320 0.000 0.000 0.207 317 K C 1.646 178.169 176.600 -0.127 0.000 1.046 317 K CA 1.537 57.736 56.287 -0.147 0.000 0.928 317 K CB 0.148 32.602 32.500 -0.076 0.000 0.720 317 K HN -0.047 nan 8.250 nan 0.000 0.458 318 K N 0.052 120.370 120.400 -0.137 0.000 2.361 318 K HA -0.055 4.265 4.320 0.000 0.000 0.196 318 K C -0.026 176.283 176.600 -0.484 0.000 1.039 318 K CA 0.837 57.001 56.287 -0.205 0.000 1.001 318 K CB 0.175 32.652 32.500 -0.038 0.000 0.795 318 K HN 0.283 nan 8.250 nan 0.000 0.495 319 D N -1.122 119.023 120.400 -0.426 0.000 2.957 319 D HA -0.149 4.491 4.640 0.000 0.000 0.219 319 D C -1.653 174.364 176.300 -0.470 0.000 1.068 319 D CA 0.337 54.099 54.000 -0.395 0.000 0.799 319 D CB -1.469 39.139 40.800 -0.320 0.000 1.078 319 D HN 0.068 nan 8.370 nan 0.000 0.443 320 Y N -0.526 119.792 120.300 0.030 0.000 2.361 320 Y HA 0.309 4.859 4.550 0.000 0.000 0.337 320 Y C 1.730 177.700 175.900 0.117 0.000 0.965 320 Y CA -0.995 57.142 58.100 0.060 0.000 1.091 320 Y CB 1.065 39.561 38.460 0.061 0.000 1.182 320 Y HN 0.191 nan 8.280 nan 0.000 0.450 321 C N 0.098 119.532 119.300 0.224 0.000 2.449 321 C HA 0.379 4.839 4.460 0.000 0.000 0.283 321 C C 1.267 176.400 174.990 0.238 0.000 1.453 321 C CA 0.418 59.542 59.018 0.177 0.000 1.779 321 C CB -1.415 26.377 27.740 0.087 0.000 1.779 321 C HN 1.404 nan 8.230 nan 0.000 0.546 322 G N -0.268 108.637 108.800 0.175 0.000 2.956 322 G HA2 0.081 4.041 3.960 0.000 0.000 0.263 322 G HA3 0.081 4.041 3.960 0.000 0.000 0.263 322 G C -0.447 174.320 174.900 -0.222 0.000 1.090 322 G CA 0.088 45.089 45.100 -0.165 0.000 1.185 322 G HN 2.096 nan 8.290 nan 0.000 0.566 323 C N 4.814 124.017 119.300 -0.161 0.000 3.097 323 C HA 0.757 5.217 4.460 0.000 0.000 0.422 323 C C -0.523 174.425 174.990 -0.070 0.000 0.999 323 C CA -0.335 58.611 59.018 -0.119 0.000 1.235 323 C CB 0.672 28.372 27.740 -0.067 0.000 1.615 323 C HN 1.458 nan 8.230 nan 0.000 0.553 324 M N 5.130 124.691 119.600 -0.064 0.000 2.326 324 M HA 0.614 5.094 4.480 0.000 0.000 0.292 324 M C -1.671 174.685 176.300 0.094 0.000 1.081 324 M CA -0.549 54.751 55.300 -0.001 0.000 0.919 324 M CB 1.609 34.158 32.600 -0.084 0.000 1.634 324 M HN 0.420 nan 8.290 nan 0.000 0.451 325 I N 4.549 125.223 120.570 0.174 0.000 2.312 325 I HA 0.423 4.593 4.170 0.000 0.000 0.291 325 I C -0.443 175.785 176.117 0.185 0.000 1.031 325 I CA -0.139 61.287 61.300 0.210 0.000 1.293 325 I CB 0.758 38.949 38.000 0.318 0.000 1.403 325 I HN 0.608 nan 8.210 nan 0.000 0.484 326 I N 6.448 127.111 120.570 0.155 0.000 2.418 326 I HA 0.357 4.527 4.170 0.000 0.000 0.287 326 I C -0.005 176.186 176.117 0.124 0.000 1.008 326 I CA -0.446 60.976 61.300 0.202 0.000 1.104 326 I CB 1.480 39.615 38.000 0.225 0.000 1.264 326 I HN 0.554 nan 8.210 nan 0.000 0.438 327 E N 7.085 127.340 120.200 0.091 0.000 3.108 327 E HA 0.206 4.556 4.350 0.000 0.000 0.228 327 E C -1.666 174.938 176.600 0.008 0.000 1.176 327 E CA -0.312 56.090 56.400 0.003 0.000 0.881 327 E CB 0.777 30.428 29.700 -0.082 0.000 1.354 327 E HN 0.633 nan 8.360 nan 0.000 0.400 328 D N 2.737 123.161 120.400 0.040 0.000 2.937 328 D HA -0.007 4.633 4.640 0.000 0.000 0.215 328 D C 0.547 176.877 176.300 0.050 0.000 1.274 328 D CA -0.331 53.684 54.000 0.025 0.000 0.869 328 D CB 2.000 42.806 40.800 0.011 0.000 1.675 328 D HN 0.242 nan 8.370 nan 0.000 0.538 329 E N 2.301 122.518 120.200 0.028 0.000 2.118 329 E HA -0.183 4.167 4.350 0.000 0.000 0.195 329 E C 0.571 177.191 176.600 0.034 0.000 0.992 329 E CA 2.165 58.579 56.400 0.023 0.000 0.804 329 E CB 0.230 29.933 29.700 0.005 0.000 0.741 329 E HN 0.544 nan 8.360 nan 0.000 0.458 330 D N -0.053 120.375 120.400 0.047 0.000 2.277 330 D HA 0.154 4.794 4.640 0.000 0.000 0.209 330 D C 0.314 176.651 176.300 0.062 0.000 0.970 330 D CA 0.768 54.796 54.000 0.046 0.000 0.874 330 D CB -0.694 40.132 40.800 0.042 0.000 0.982 330 D HN 0.245 nan 8.370 nan 0.000 0.504 331 A N 2.272 125.151 122.820 0.097 0.000 2.591 331 A HA 0.077 4.397 4.320 0.000 0.000 0.244 331 A C -1.125 176.511 177.584 0.087 0.000 1.031 331 A CA -0.464 51.640 52.037 0.111 0.000 0.767 331 A CB 0.321 19.429 19.000 0.180 0.000 0.942 331 A HN 0.076 nan 8.150 nan 0.000 0.514 332 P HA 0.000 nan 4.420 nan 0.000 0.216 332 P C 0.383 177.746 177.300 0.105 0.000 1.156 332 P CA 0.664 63.804 63.100 0.066 0.000 0.855 332 P CB -0.002 31.717 31.700 0.031 0.000 0.786 333 I N 0.948 121.594 120.570 0.127 0.000 2.471 333 I HA 0.037 4.207 4.170 0.000 0.000 0.286 333 I C 1.599 177.830 176.117 0.191 0.000 1.079 333 I CA 0.455 61.870 61.300 0.192 0.000 1.398 333 I CB 0.458 38.637 38.000 0.298 0.000 1.403 333 I HN -0.060 nan 8.210 nan 0.000 0.530 334 S N 5.892 121.712 115.700 0.200 0.000 2.371 334 S HA 0.213 4.683 4.470 0.000 0.000 0.219 334 S C 0.693 175.406 174.600 0.190 0.000 1.040 334 S CA 0.486 58.789 58.200 0.172 0.000 0.958 334 S CB 0.349 63.642 63.200 0.154 0.000 0.860 334 S HN 0.612 nan 8.310 nan 0.000 0.487 335 I N 0.468 121.194 120.570 0.260 0.000 2.934 335 I HA 0.439 4.609 4.170 0.000 0.000 0.306 335 I C -1.427 174.815 176.117 0.209 0.000 1.110 335 I CA -0.163 61.294 61.300 0.261 0.000 1.019 335 I CB 2.528 40.729 38.000 0.335 0.000 1.227 335 I HN -0.037 nan 8.210 nan 0.000 0.434 336 T N 6.094 120.704 114.554 0.093 0.000 2.921 336 T HA 0.585 4.935 4.350 0.000 0.000 0.297 336 T C -0.873 173.764 174.700 -0.105 0.000 1.013 336 T CA -0.373 61.686 62.100 -0.069 0.000 0.990 336 T CB 1.173 69.908 68.868 -0.222 0.000 1.023 336 T HN 0.310 nan 8.240 nan 0.000 0.447 337 L N 1.905 123.037 121.223 -0.151 0.000 2.286 337 L HA 0.623 4.963 4.340 0.000 0.000 0.265 337 L C -0.179 176.561 176.870 -0.217 0.000 1.012 337 L CA -1.189 53.546 54.840 -0.174 0.000 0.818 337 L CB 1.646 43.592 42.059 -0.189 0.000 1.337 337 L HN 0.531 nan 8.230 nan 0.000 0.438 338 D N -0.204 120.096 120.400 -0.166 0.000 2.304 338 D HA 0.066 4.706 4.640 0.000 0.000 0.250 338 D C -0.532 175.748 176.300 -0.033 0.000 1.107 338 D CA 0.173 54.097 54.000 -0.127 0.000 0.885 338 D CB 1.377 42.208 40.800 0.050 0.000 1.192 338 D HN 0.441 nan 8.370 nan 0.000 0.436 339 D N 2.000 122.382 120.400 -0.029 0.000 2.650 339 D HA 0.098 4.738 4.640 0.000 0.000 0.265 339 D C -0.557 175.791 176.300 0.080 0.000 1.339 339 D CA -0.248 53.769 54.000 0.028 0.000 0.816 339 D CB 0.162 40.926 40.800 -0.060 0.000 1.091 339 D HN 0.259 nan 8.370 nan 0.000 0.483 340 T N 1.570 116.220 114.554 0.160 0.000 2.946 340 T HA -0.003 4.347 4.350 0.000 0.000 0.312 340 T C 0.612 175.402 174.700 0.149 0.000 1.066 340 T CA 0.027 62.239 62.100 0.187 0.000 1.138 340 T CB 0.770 69.770 68.868 0.221 0.000 1.014 340 T HN -0.050 nan 8.240 nan 0.000 0.544 341 K N 3.922 124.372 120.400 0.083 0.000 2.319 341 K HA 0.076 4.396 4.320 0.000 0.000 0.265 341 K C -1.298 175.316 176.600 0.023 0.000 1.000 341 K CA -1.924 54.367 56.287 0.007 0.000 0.943 341 K CB 0.245 32.687 32.500 -0.096 0.000 0.950 341 K HN 0.352 nan 8.250 nan 0.000 0.485 342 P HA -0.182 nan 4.420 nan 0.000 0.218 342 P C 0.273 177.565 177.300 -0.014 0.000 1.146 342 P CA 1.476 64.513 63.100 -0.104 0.000 0.813 342 P CB 0.153 31.574 31.700 -0.464 0.000 0.778 343 D N -1.919 118.467 120.400 -0.023 0.000 2.491 343 D HA 0.148 4.788 4.640 0.000 0.000 0.228 343 D C 1.198 177.504 176.300 0.010 0.000 1.183 343 D CA 0.080 54.078 54.000 -0.003 0.000 0.827 343 D CB -0.360 40.435 40.800 -0.009 0.000 0.989 343 D HN 0.195 nan 8.370 nan 0.000 0.494 344 G N 1.279 110.093 108.800 0.023 0.000 2.267 344 G HA2 -0.362 3.598 3.960 0.000 0.000 0.257 344 G HA3 -0.362 3.598 3.960 0.000 0.000 0.257 344 G C 0.553 175.474 174.900 0.034 0.000 0.998 344 G CA 0.499 45.613 45.100 0.024 0.000 0.620 344 G HN 0.777 nan 8.290 nan 0.000 0.529 345 S N 0.094 115.813 115.700 0.032 0.000 2.589 345 S HA 0.556 5.026 4.470 0.000 0.000 0.265 345 S C 1.016 175.666 174.600 0.082 0.000 1.342 345 S CA 0.476 58.702 58.200 0.042 0.000 1.005 345 S CB 1.092 64.302 63.200 0.017 0.000 0.909 345 S HN 1.489 nan 8.310 nan 0.000 0.555 346 L N -0.956 120.336 121.223 0.115 0.000 3.713 346 L HA -0.104 4.236 4.340 0.000 0.000 0.499 346 L C -2.279 174.760 176.870 0.282 0.000 1.281 346 L CA -0.487 54.474 54.840 0.202 0.000 0.796 346 L CB -1.858 40.305 42.059 0.173 0.000 1.535 346 L HN 0.600 nan 8.230 nan 0.000 0.851 347 P HA 0.256 nan 4.420 nan 0.000 0.266 347 P C 0.013 177.617 177.300 0.506 0.000 1.193 347 P CA 0.740 64.090 63.100 0.417 0.000 0.770 347 P CB 0.934 32.864 31.700 0.384 0.000 0.836 348 A N 2.001 125.087 122.820 0.444 0.000 2.536 348 A HA 0.785 5.105 4.320 0.000 0.000 0.293 348 A C -1.795 175.626 177.584 -0.271 0.000 1.119 348 A CA -0.314 51.746 52.037 0.038 0.000 0.654 348 A CB 0.809 19.607 19.000 -0.336 0.000 1.291 348 A HN 0.343 nan 8.150 nan 0.000 0.439 349 I N 0.447 120.813 120.570 -0.339 0.000 2.644 349 I HA 0.481 4.651 4.170 0.000 0.000 0.291 349 I C -0.673 175.285 176.117 -0.264 0.000 1.180 349 I CA -0.057 60.976 61.300 -0.447 0.000 1.040 349 I CB 2.275 39.907 38.000 -0.614 0.000 1.255 349 I HN 0.655 nan 8.210 nan 0.000 0.422 350 M N 5.382 124.828 119.600 -0.257 0.000 2.078 350 M HA 0.642 5.122 4.480 0.000 0.000 0.320 350 M C -0.411 175.730 176.300 -0.265 0.000 0.969 350 M CA -0.287 54.876 55.300 -0.230 0.000 0.929 350 M CB 0.724 33.218 32.600 -0.176 0.000 1.504 350 M HN 0.734 nan 8.290 nan 0.000 0.419 351 G N 3.411 112.080 108.800 -0.218 0.000 2.601 351 G HA2 0.771 4.731 3.960 0.000 0.000 0.317 351 G HA3 0.771 4.731 3.960 0.000 0.000 0.317 351 G C -1.783 172.878 174.900 -0.399 0.000 1.246 351 G CA -0.373 44.626 45.100 -0.168 0.000 1.012 351 G HN 0.563 nan 8.290 nan 0.000 0.494 352 F N 0.228 120.272 119.950 0.158 0.000 2.539 352 F HA 0.405 4.932 4.527 0.000 0.000 0.328 352 F C -0.196 175.688 175.800 0.139 0.000 1.148 352 F CA -1.051 57.046 58.000 0.161 0.000 0.940 352 F CB 2.069 41.176 39.000 0.179 0.000 1.194 352 F HN 0.131 nan 8.300 nan 0.000 0.438 353 I N 6.840 127.598 120.570 0.313 0.000 2.336 353 I HA 0.638 4.808 4.170 0.000 0.000 0.292 353 I C -1.391 174.853 176.117 0.212 0.000 0.991 353 I CA -0.936 60.491 61.300 0.212 0.000 1.227 353 I CB 0.942 39.033 38.000 0.153 0.000 1.366 353 I HN 0.568 nan 8.210 nan 0.000 0.466 354 L N 6.010 127.321 121.223 0.147 0.000 2.622 354 L HA 0.959 5.299 4.340 0.000 0.000 0.258 354 L C 0.142 177.030 176.870 0.031 0.000 0.996 354 L CA -0.015 54.879 54.840 0.090 0.000 0.858 354 L CB 0.509 42.609 42.059 0.069 0.000 1.449 354 L HN 0.819 nan 8.230 nan 0.000 0.411 355 A N 1.014 123.826 122.820 -0.015 0.000 5.218 355 A HA -0.307 4.013 4.320 0.000 0.000 0.318 355 A C 1.846 179.422 177.584 -0.012 0.000 1.887 355 A CA 2.374 54.385 52.037 -0.043 0.000 0.712 355 A CB -1.647 17.320 19.000 -0.055 0.000 1.343 355 A HN 1.394 nan 8.150 nan 0.000 0.377 356 R N 0.997 121.492 120.500 -0.008 0.000 2.090 356 R HA -0.038 4.302 4.340 0.000 0.000 0.228 356 R C 1.937 178.244 176.300 0.013 0.000 1.110 356 R CA 2.019 58.120 56.100 0.001 0.000 0.973 356 R CB -0.454 29.841 30.300 -0.008 0.000 0.869 356 R HN 0.776 nan 8.270 nan 0.000 0.440 357 K N 0.529 120.942 120.400 0.021 0.000 2.148 357 K HA 0.000 4.320 4.320 0.000 0.000 0.204 357 K C 2.168 178.795 176.600 0.046 0.000 1.050 357 K CA 1.181 57.488 56.287 0.034 0.000 0.942 357 K CB -0.109 32.419 32.500 0.046 0.000 0.724 357 K HN 0.252 nan 8.250 nan 0.000 0.446 358 A N 2.098 124.950 122.820 0.053 0.000 1.972 358 A HA -0.193 4.127 4.320 0.000 0.000 0.219 358 A C 1.581 179.198 177.584 0.055 0.000 1.169 358 A CA 1.724 53.803 52.037 0.069 0.000 0.635 358 A CB -0.243 18.805 19.000 0.081 0.000 0.810 358 A HN 0.185 nan 8.150 nan 0.000 0.446 359 D N -0.977 119.447 120.400 0.039 0.000 2.194 359 D HA -0.074 4.566 4.640 0.000 0.000 0.204 359 D C 2.091 178.407 176.300 0.027 0.000 0.964 359 D CA 0.758 54.777 54.000 0.032 0.000 0.846 359 D CB -0.255 40.560 40.800 0.026 0.000 0.962 359 D HN 0.440 nan 8.370 nan 0.000 0.490 360 R N 0.294 120.809 120.500 0.025 0.000 2.092 360 R HA 0.042 4.382 4.340 0.000 0.000 0.231 360 R C 1.831 178.144 176.300 0.023 0.000 1.119 360 R CA 0.688 56.800 56.100 0.020 0.000 0.970 360 R CB 0.094 30.404 30.300 0.017 0.000 0.864 360 R HN 0.164 nan 8.270 nan 0.000 0.440 361 L N -0.864 120.379 121.223 0.032 0.000 2.640 361 L HA 0.265 4.605 4.340 0.000 0.000 0.230 361 L C 1.585 178.477 176.870 0.037 0.000 1.123 361 L CA -0.003 54.857 54.840 0.033 0.000 0.900 361 L CB 0.526 42.609 42.059 0.040 0.000 1.146 361 L HN 0.137 nan 8.230 nan 0.000 0.484 362 A N -0.247 122.595 122.820 0.037 0.000 2.238 362 A HA 0.036 4.356 4.320 0.000 0.000 0.210 362 A C 2.087 179.682 177.584 0.018 0.000 1.179 362 A CA 0.273 52.331 52.037 0.034 0.000 0.827 362 A CB 0.012 19.036 19.000 0.041 0.000 0.856 362 A HN 0.135 nan 8.150 nan 0.000 0.488 363 K N -0.240 120.170 120.400 0.017 0.000 2.296 363 K HA 0.115 4.435 4.320 0.000 0.000 0.200 363 K C 0.298 176.905 176.600 0.011 0.000 1.048 363 K CA 0.172 56.465 56.287 0.009 0.000 0.966 363 K CB -0.210 32.296 32.500 0.010 0.000 0.754 363 K HN 0.434 nan 8.250 nan 0.000 0.466 364 L N 0.833 122.068 121.223 0.020 0.000 2.464 364 L HA 0.033 4.373 4.340 0.000 0.000 0.264 364 L C 0.745 177.645 176.870 0.050 0.000 1.199 364 L CA -0.210 54.651 54.840 0.035 0.000 0.818 364 L CB 0.172 42.249 42.059 0.030 0.000 1.102 364 L HN 0.169 nan 8.230 nan 0.000 0.473 365 H N 1.500 120.556 119.070 -0.023 0.000 2.767 365 H HA -0.013 4.543 4.556 0.000 0.000 0.316 365 H C 1.007 176.308 175.328 -0.046 0.000 1.059 365 H CA 0.045 56.076 56.048 -0.029 0.000 1.461 365 H CB 0.760 30.501 29.762 -0.034 0.000 1.475 365 H HN 0.503 nan 8.280 nan 0.000 0.531 366 K N 2.691 123.198 120.400 0.178 0.000 2.192 366 K HA -0.310 4.010 4.320 0.000 0.000 0.214 366 K C 1.084 177.706 176.600 0.035 0.000 1.046 366 K CA 2.354 58.732 56.287 0.152 0.000 0.937 366 K CB 0.104 32.693 32.500 0.147 0.000 0.734 366 K HN 0.718 nan 8.250 nan 0.000 0.473 367 E N -0.296 119.979 120.200 0.125 0.000 2.481 367 E HA -0.046 4.304 4.350 0.000 0.000 0.195 367 E C 1.759 178.251 176.600 -0.180 0.000 1.047 367 E CA 0.605 56.916 56.400 -0.147 0.000 0.867 367 E CB 0.254 29.802 29.700 -0.253 0.000 0.858 367 E HN 0.529 nan 8.360 nan 0.000 0.513 368 I N -0.208 120.299 120.570 -0.106 0.000 2.927 368 I HA -0.025 4.145 4.170 0.000 0.000 0.268 368 I C 2.333 178.384 176.117 -0.110 0.000 1.153 368 I CA 0.111 61.352 61.300 -0.097 0.000 1.459 368 I CB -0.191 37.785 38.000 -0.041 0.000 1.149 368 I HN -0.025 nan 8.210 nan 0.000 0.443 369 R N 1.647 122.085 120.500 -0.102 0.000 2.082 369 R HA -0.210 4.130 4.340 0.000 0.000 0.234 369 R C 2.313 178.467 176.300 -0.245 0.000 1.136 369 R CA 1.709 57.740 56.100 -0.115 0.000 0.935 369 R CB -0.418 29.857 30.300 -0.042 0.000 0.842 369 R HN 0.223 nan 8.270 nan 0.000 0.430 370 K N 1.276 121.390 120.400 -0.475 0.000 2.144 370 K HA -0.270 4.050 4.320 0.000 0.000 0.209 370 K C 2.070 178.448 176.600 -0.371 0.000 1.047 370 K CA 1.880 57.732 56.287 -0.725 0.000 0.927 370 K CB -0.042 31.870 32.500 -0.980 0.000 0.716 370 K HN 0.042 nan 8.250 nan 0.000 0.454 371 K N 0.631 120.876 120.400 -0.259 0.000 1.980 371 K HA -0.134 4.186 4.320 0.000 0.000 0.208 371 K C 1.991 178.497 176.600 -0.157 0.000 1.043 371 K CA 1.428 57.608 56.287 -0.177 0.000 0.938 371 K CB -0.021 32.398 32.500 -0.135 0.000 0.724 371 K HN 0.040 nan 8.250 nan 0.000 0.438 372 K N 0.746 121.065 120.400 -0.134 0.000 2.049 372 K HA -0.239 4.081 4.320 0.000 0.000 0.219 372 K C 2.205 178.719 176.600 -0.142 0.000 1.056 372 K CA 2.278 58.502 56.287 -0.105 0.000 0.946 372 K CB -0.625 31.831 32.500 -0.075 0.000 0.723 372 K HN 0.248 nan 8.250 nan 0.000 0.453 373 I N 1.023 121.474 120.570 -0.199 0.000 2.068 373 I HA -0.438 3.732 4.170 0.000 0.000 0.238 373 I C 2.788 178.625 176.117 -0.467 0.000 1.046 373 I CA 1.484 62.567 61.300 -0.360 0.000 1.306 373 I CB -0.688 37.091 38.000 -0.368 0.000 1.023 373 I HN 0.288 nan 8.210 nan 0.000 0.399 374 C N 1.196 120.297 119.300 -0.331 0.000 2.391 374 C HA -0.204 4.256 4.460 0.000 0.000 0.276 374 C C 2.729 177.670 174.990 -0.083 0.000 1.217 374 C CA 1.669 60.582 59.018 -0.174 0.000 1.766 374 C CB -1.432 26.253 27.740 -0.092 0.000 2.046 374 C HN 0.604 nan 8.230 nan 0.000 0.475 375 E N 0.700 120.841 120.200 -0.099 0.000 2.204 375 E HA -0.192 4.158 4.350 0.000 0.000 0.194 375 E C 1.943 178.516 176.600 -0.045 0.000 0.989 375 E CA 0.971 57.334 56.400 -0.061 0.000 0.824 375 E CB -0.471 29.193 29.700 -0.061 0.000 0.756 375 E HN 0.563 nan 8.360 nan 0.000 0.477 376 L N 1.091 122.276 121.223 -0.063 0.000 1.937 376 L HA -0.202 4.138 4.340 0.000 0.000 0.213 376 L C 2.324 179.215 176.870 0.034 0.000 1.077 376 L CA 1.834 56.653 54.840 -0.034 0.000 0.758 376 L CB -1.197 40.855 42.059 -0.011 0.000 0.888 376 L HN 0.156 nan 8.230 nan 0.000 0.433 377 Y N -0.063 120.197 120.300 -0.065 0.000 2.173 377 Y HA -0.399 4.151 4.550 0.000 0.000 0.282 377 Y C 2.520 178.404 175.900 -0.027 0.000 1.192 377 Y CA 0.590 58.662 58.100 -0.047 0.000 1.176 377 Y CB -0.705 37.784 38.460 0.047 0.000 0.969 377 Y HN 0.546 nan 8.280 nan 0.000 0.519 378 A N 1.391 124.301 122.820 0.150 0.000 1.841 378 A HA -0.286 4.034 4.320 0.000 0.000 0.216 378 A C 2.086 179.673 177.584 0.004 0.000 1.199 378 A CA 2.348 54.424 52.037 0.066 0.000 0.621 378 A CB -0.750 18.255 19.000 0.009 0.000 0.835 378 A HN 0.580 nan 8.150 nan 0.000 0.445 379 K N -0.710 119.657 120.400 -0.056 0.000 2.504 379 K HA 0.124 4.444 4.320 0.000 0.000 0.195 379 K C 1.208 177.681 176.600 -0.212 0.000 1.036 379 K CA 1.178 57.405 56.287 -0.101 0.000 0.984 379 K CB -0.059 32.392 32.500 -0.082 0.000 0.788 379 K HN 0.233 nan 8.250 nan 0.000 0.488 380 V N 1.270 121.029 119.914 -0.258 0.000 2.521 380 V HA -0.017 4.103 4.120 0.000 0.000 0.239 380 V C 1.876 177.830 176.094 -0.234 0.000 1.053 380 V CA 0.690 62.771 62.300 -0.365 0.000 1.073 380 V CB -0.043 31.516 31.823 -0.441 0.000 0.746 380 V HN 0.276 nan 8.190 nan 0.000 0.476 381 L N 0.756 121.907 121.223 -0.119 0.000 2.599 381 L HA 0.273 4.613 4.340 0.000 0.000 0.230 381 L C 1.701 178.663 176.870 0.153 0.000 1.141 381 L CA 0.851 55.684 54.840 -0.012 0.000 0.877 381 L CB -0.865 41.291 42.059 0.161 0.000 1.009 381 L HN 0.561 nan 8.230 nan 0.000 0.447 382 G N 0.565 109.409 108.800 0.072 0.000 2.258 382 G HA2 -0.276 3.684 3.960 0.000 0.000 0.274 382 G HA3 -0.276 3.684 3.960 0.000 0.000 0.274 382 G C 0.083 175.044 174.900 0.103 0.000 1.021 382 G CA 0.530 45.678 45.100 0.081 0.000 0.798 382 G HN 0.385 nan 8.290 nan 0.000 0.507 383 S N -0.619 115.153 115.700 0.120 0.000 2.659 383 S HA 0.464 4.934 4.470 0.000 0.000 0.312 383 S C 0.755 175.322 174.600 -0.054 0.000 1.114 383 S CA -0.306 57.935 58.200 0.068 0.000 1.063 383 S CB 1.807 65.119 63.200 0.187 0.000 0.996 383 S HN 0.318 nan 8.310 nan 0.000 0.478 384 Q N 2.846 122.608 119.800 -0.063 0.000 2.197 384 Q HA -0.247 4.093 4.340 0.000 0.000 0.211 384 Q C 1.917 177.811 176.000 -0.176 0.000 0.993 384 Q CA 2.220 57.965 55.803 -0.097 0.000 0.883 384 Q CB -0.157 28.551 28.738 -0.051 0.000 0.916 384 Q HN 0.841 nan 8.270 nan 0.000 0.418 385 E N -0.722 119.328 120.200 -0.250 0.000 2.187 385 E HA -0.280 4.070 4.350 0.000 0.000 0.199 385 E C 1.813 178.232 176.600 -0.300 0.000 1.004 385 E CA 1.233 57.436 56.400 -0.328 0.000 0.813 385 E CB -0.529 28.786 29.700 -0.641 0.000 0.736 385 E HN 0.454 nan 8.360 nan 0.000 0.468 386 A N 1.767 124.356 122.820 -0.385 0.000 1.978 386 A HA -0.151 4.169 4.320 0.000 0.000 0.220 386 A C 2.191 179.895 177.584 0.200 0.000 1.170 386 A CA 1.141 53.240 52.037 0.104 0.000 0.636 386 A CB -0.383 18.750 19.000 0.222 0.000 0.810 386 A HN 0.160 nan 8.150 nan 0.000 0.448 387 L N -0.602 120.575 121.223 -0.076 0.000 2.456 387 L HA -0.053 4.287 4.340 0.000 0.000 0.224 387 L C 0.318 177.032 176.870 -0.261 0.000 1.148 387 L CA 1.286 55.987 54.840 -0.233 0.000 0.825 387 L CB -1.611 40.178 42.059 -0.450 0.000 0.937 387 L HN 0.532 nan 8.230 nan 0.000 0.450 388 H N -0.270 118.857 119.070 0.095 0.000 2.340 388 H HA 0.244 4.800 4.556 0.000 0.000 0.233 388 H C -1.981 173.371 175.328 0.041 0.000 1.435 388 H CA -1.791 54.291 56.048 0.057 0.000 1.389 388 H CB 0.553 30.341 29.762 0.044 0.000 1.491 388 H HN 0.096 nan 8.280 nan 0.000 0.518 389 P HA 0.020 nan 4.420 nan 0.000 0.274 389 P C 0.520 177.777 177.300 -0.072 0.000 1.256 389 P CA -0.293 62.642 63.100 -0.277 0.000 0.795 389 P CB 2.352 33.903 31.700 -0.247 0.000 1.038 390 V N -1.283 118.606 119.914 -0.042 0.000 3.572 390 V HA 0.164 4.284 4.120 0.000 0.000 0.260 390 V C 0.414 176.588 176.094 0.133 0.000 1.324 390 V CA 0.837 63.179 62.300 0.071 0.000 1.068 390 V CB -0.702 31.195 31.823 0.124 0.000 0.837 390 V HN 0.729 nan 8.190 nan 0.000 0.450 391 H N -1.129 117.962 119.070 0.036 0.000 3.037 391 H HA 0.514 5.070 4.556 0.000 0.000 0.336 391 H C -2.060 173.403 175.328 0.225 0.000 1.323 391 H CA -0.944 55.108 56.048 0.007 0.000 1.159 391 H CB 1.744 31.375 29.762 -0.218 0.000 1.882 391 H HN 0.036 nan 8.280 nan 0.000 0.535 392 Y N 2.412 122.322 120.300 -0.650 0.000 2.307 392 Y HA 0.373 4.923 4.550 0.000 0.000 0.323 392 Y C -1.534 174.132 175.900 -0.390 0.000 1.100 392 Y CA -0.564 57.357 58.100 -0.299 0.000 1.140 392 Y CB 1.230 39.580 38.460 -0.183 0.000 1.159 392 Y HN 0.557 nan 8.280 nan 0.000 0.436 393 E N 5.324 125.251 120.200 -0.455 0.000 2.191 393 E HA 0.288 4.638 4.350 0.000 0.000 0.278 393 E C -1.017 175.239 176.600 -0.574 0.000 0.972 393 E CA -0.431 55.777 56.400 -0.321 0.000 0.804 393 E CB 1.920 31.621 29.700 0.001 0.000 1.110 393 E HN 0.860 nan 8.360 nan 0.000 0.394 394 E N 1.022 121.011 120.200 -0.351 0.000 2.413 394 E HA 0.650 5.000 4.350 0.000 0.000 0.277 394 E C -1.120 175.412 176.600 -0.113 0.000 0.958 394 E CA -1.101 55.146 56.400 -0.255 0.000 0.779 394 E CB 1.953 31.549 29.700 -0.174 0.000 1.278 394 E HN -0.022 nan 8.360 nan 0.000 0.456 395 K N 1.267 121.619 120.400 -0.078 0.000 2.535 395 K HA 0.382 4.702 4.320 0.000 0.000 0.250 395 K C -1.963 174.526 176.600 -0.185 0.000 0.948 395 K CA -0.713 55.462 56.287 -0.187 0.000 0.796 395 K CB 1.697 34.049 32.500 -0.247 0.000 1.216 395 K HN 0.567 nan 8.250 nan 0.000 0.432 396 N N 4.055 122.616 118.700 -0.231 0.000 2.558 396 N HA 0.244 4.984 4.740 0.000 0.000 0.242 396 N C -0.380 175.071 175.510 -0.098 0.000 0.979 396 N CA -0.461 52.543 53.050 -0.077 0.000 0.931 396 N CB 0.293 38.774 38.487 -0.011 0.000 1.122 396 N HN 0.625 nan 8.380 nan 0.000 0.508 397 W N 1.973 123.341 121.300 0.113 0.000 2.584 397 W HA 0.075 4.735 4.660 0.000 0.000 0.264 397 W C 2.038 178.606 176.519 0.083 0.000 1.264 397 W CA -0.149 57.264 57.345 0.113 0.000 1.306 397 W CB -0.436 29.110 29.460 0.143 0.000 1.110 397 W HN 0.533 nan 8.180 nan 0.000 0.606 398 C N 0.827 120.267 119.300 0.234 0.000 2.375 398 C HA -0.254 4.206 4.460 0.000 0.000 0.274 398 C C 1.886 176.936 174.990 0.100 0.000 1.190 398 C CA 1.812 60.914 59.018 0.140 0.000 1.775 398 C CB -1.571 26.226 27.740 0.095 0.000 2.067 398 C HN 0.486 nan 8.230 nan 0.000 0.463 399 E N 0.604 120.845 120.200 0.068 0.000 2.338 399 E HA 0.191 4.541 4.350 0.000 0.000 0.231 399 E C -0.490 176.117 176.600 0.011 0.000 1.231 399 E CA 0.012 56.425 56.400 0.022 0.000 1.490 399 E CB -0.107 29.590 29.700 -0.005 0.000 1.360 399 E HN 0.436 nan 8.360 nan 0.000 0.435 400 E N 1.616 121.859 120.200 0.072 0.000 2.156 400 E HA 0.035 4.385 4.350 0.000 0.000 0.279 400 E C 0.350 176.977 176.600 0.046 0.000 0.965 400 E CA -0.324 56.129 56.400 0.088 0.000 0.789 400 E CB 1.760 31.604 29.700 0.241 0.000 1.098 400 E HN 0.394 nan 8.360 nan 0.000 0.397 401 Q N 2.821 122.600 119.800 -0.035 0.000 2.050 401 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 401 Q C 0.174 175.995 176.000 -0.298 0.000 0.980 401 Q CA 1.585 57.243 55.803 -0.241 0.000 0.840 401 Q CB 0.078 28.559 28.738 -0.428 0.000 0.898 401 Q HN 0.546 nan 8.270 nan 0.000 0.424 402 Y N -0.508 119.825 120.300 0.055 0.000 2.645 402 Y HA 0.244 4.794 4.550 0.000 0.000 0.307 402 Y C 0.847 176.807 175.900 0.100 0.000 1.151 402 Y CA -0.104 58.032 58.100 0.059 0.000 1.291 402 Y CB 0.824 39.308 38.460 0.040 0.000 1.135 402 Y HN 0.070 nan 8.280 nan 0.000 0.523 403 S N -2.617 113.209 115.700 0.209 0.000 2.590 403 S HA 0.234 4.704 4.470 0.000 0.000 0.281 403 S C 1.916 176.615 174.600 0.165 0.000 1.068 403 S CA 0.199 58.529 58.200 0.216 0.000 1.193 403 S CB 0.614 64.012 63.200 0.330 0.000 1.040 403 S HN 0.519 nan 8.310 nan 0.000 0.544 404 G N 1.539 110.419 108.800 0.132 0.000 2.587 404 G HA2 -0.135 3.825 3.960 0.000 0.000 0.246 404 G HA3 -0.135 3.825 3.960 0.000 0.000 0.246 404 G C 0.504 175.497 174.900 0.155 0.000 1.058 404 G CA 0.723 45.888 45.100 0.108 0.000 0.658 404 G HN 1.417 nan 8.290 nan 0.000 0.538 405 G N -2.706 106.214 108.800 0.201 0.000 2.342 405 G HA2 0.546 4.506 3.960 0.000 0.000 0.297 405 G HA3 0.546 4.506 3.960 0.000 0.000 0.297 405 G C -1.280 173.730 174.900 0.183 0.000 1.313 405 G CA 0.347 45.576 45.100 0.215 0.000 0.830 405 G HN 1.144 nan 8.290 nan 0.000 0.506 406 C N -1.297 118.081 119.300 0.130 0.000 3.080 406 C HA 0.656 5.116 4.460 0.000 0.000 0.307 406 C C 0.958 175.933 174.990 -0.025 0.000 1.311 406 C CA -0.582 58.467 59.018 0.052 0.000 1.533 406 C CB 0.965 28.647 27.740 -0.097 0.000 1.970 406 C HN 0.683 nan 8.230 nan 0.000 0.467 407 Y N 0.639 120.955 120.300 0.027 0.000 2.184 407 Y HA 0.133 4.683 4.550 0.000 0.000 0.290 407 Y C 1.707 177.678 175.900 0.119 0.000 1.129 407 Y CA 1.325 59.430 58.100 0.009 0.000 1.144 407 Y CB -0.808 37.666 38.460 0.024 0.000 0.995 407 Y HN 0.647 nan 8.280 nan 0.000 0.513 408 T N -1.131 113.639 114.554 0.361 0.000 2.831 408 T HA 0.747 5.097 4.350 0.000 0.000 0.287 408 T C -0.678 174.245 174.700 0.371 0.000 1.070 408 T CA -0.504 61.837 62.100 0.402 0.000 1.010 408 T CB 0.929 70.153 68.868 0.595 0.000 1.264 408 T HN 0.240 nan 8.240 nan 0.000 0.532 409 A N 1.191 124.223 122.820 0.352 0.000 2.586 409 A HA 0.477 4.797 4.320 0.000 0.000 0.231 409 A C -0.581 177.256 177.584 0.421 0.000 1.055 409 A CA 0.472 52.686 52.037 0.294 0.000 0.756 409 A CB -0.750 18.401 19.000 0.252 0.000 0.988 409 A HN 0.964 nan 8.150 nan 0.000 0.509 410 Y N -1.427 118.853 120.300 -0.033 0.000 2.581 410 Y HA 0.753 5.303 4.550 0.000 0.000 0.345 410 Y C -1.323 174.160 175.900 -0.694 0.000 1.036 410 Y CA -1.808 55.990 58.100 -0.503 0.000 1.042 410 Y CB 1.163 39.447 38.460 -0.294 0.000 1.289 410 Y HN 0.393 nan 8.280 nan 0.000 0.471 411 F N 4.338 123.330 119.950 -1.596 0.000 2.361 411 F HA 0.516 5.043 4.527 0.000 0.000 0.364 411 F C -2.328 173.193 175.800 -0.465 0.000 1.120 411 F CA -2.870 54.527 58.000 -1.006 0.000 1.102 411 F CB 1.494 39.815 39.000 -1.132 0.000 1.183 411 F HN 0.278 nan 8.300 nan 0.000 0.476 412 P HA 0.226 nan 4.420 nan 0.000 0.278 412 P C -2.774 174.524 177.300 -0.004 0.000 1.238 412 P CA -1.939 61.080 63.100 -0.135 0.000 0.794 412 P CB 0.641 32.207 31.700 -0.223 0.000 0.955 413 P HA -0.047 nan 4.420 nan 0.000 0.264 413 P C 1.195 178.549 177.300 0.091 0.000 1.179 413 P CA 1.752 64.916 63.100 0.106 0.000 0.763 413 P CB -0.268 31.486 31.700 0.090 0.000 0.806 414 G N 2.470 111.346 108.800 0.126 0.000 2.234 414 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 414 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 414 G C 0.945 175.901 174.900 0.092 0.000 0.987 414 G CA 0.133 45.289 45.100 0.094 0.000 0.625 414 G HN 0.442 nan 8.290 nan 0.000 0.532 415 I N 0.372 121.021 120.570 0.133 0.000 2.333 415 I HA 0.042 4.212 4.170 0.000 0.000 0.246 415 I C 2.701 178.971 176.117 0.255 0.000 1.106 415 I CA 2.162 63.562 61.300 0.166 0.000 1.411 415 I CB -1.029 36.961 38.000 -0.017 0.000 1.082 415 I HN 0.439 nan 8.210 nan 0.000 0.420 416 M N 1.363 121.205 119.600 0.404 0.000 2.082 416 M HA -0.244 4.236 4.480 0.000 0.000 0.258 416 M C 2.104 178.532 176.300 0.214 0.000 1.071 416 M CA 2.689 58.261 55.300 0.452 0.000 1.103 416 M CB -0.963 31.836 32.600 0.331 0.000 1.307 416 M HN 0.307 nan 8.290 nan 0.000 0.409 417 T N -2.041 112.601 114.554 0.147 0.000 3.148 417 T HA 0.015 4.365 4.350 0.000 0.000 0.253 417 T C 1.577 176.215 174.700 -0.103 0.000 1.134 417 T CA 0.963 63.093 62.100 0.050 0.000 1.051 417 T CB -0.328 68.586 68.868 0.077 0.000 0.959 417 T HN 0.691 nan 8.240 nan 0.000 0.525 418 Q N -0.589 119.117 119.800 -0.156 0.000 2.373 418 Q HA 0.174 4.514 4.340 0.000 0.000 0.210 418 Q C 0.565 176.150 176.000 -0.692 0.000 0.913 418 Q CA 0.503 56.031 55.803 -0.459 0.000 0.911 418 Q CB 0.380 28.766 28.738 -0.588 0.000 1.040 418 Q HN 0.756 nan 8.270 nan 0.000 0.521 419 Y N -3.499 116.727 120.300 -0.123 0.000 2.472 419 Y HA 0.293 4.843 4.550 0.000 0.000 0.283 419 Y C 1.727 177.511 175.900 -0.193 0.000 1.038 419 Y CA -0.180 57.829 58.100 -0.151 0.000 1.126 419 Y CB 0.002 38.388 38.460 -0.123 0.000 1.374 419 Y HN 0.123 nan 8.280 nan 0.000 0.576 420 G N 2.192 110.997 108.800 0.009 0.000 2.547 420 G HA2 -0.385 3.575 3.960 0.000 0.000 0.221 420 G HA3 -0.385 3.575 3.960 0.000 0.000 0.221 420 G C 1.654 176.274 174.900 -0.467 0.000 1.140 420 G CA 1.667 46.783 45.100 0.026 0.000 0.760 420 G HN 0.488 nan 8.290 nan 0.000 0.583 421 R N 0.225 120.040 120.500 -1.142 0.000 2.303 421 R HA 0.009 4.349 4.340 0.000 0.000 0.225 421 R C 1.877 177.773 176.300 -0.675 0.000 1.114 421 R CA 1.523 56.453 56.100 -1.951 0.000 1.007 421 R CB -0.414 28.944 30.300 -1.570 0.000 0.861 421 R HN 0.333 nan 8.270 nan 0.000 0.471 422 V N 0.882 120.619 119.914 -0.295 0.000 2.326 422 V HA -0.145 3.975 4.120 0.000 0.000 0.238 422 V C 2.322 178.478 176.094 0.102 0.000 1.038 422 V CA 1.035 63.310 62.300 -0.043 0.000 1.032 422 V CB -0.517 31.305 31.823 -0.002 0.000 0.675 422 V HN 0.311 nan 8.190 nan 0.000 0.467 423 I N 0.594 121.238 120.570 0.123 0.000 4.115 423 I HA -0.446 3.724 4.170 0.000 0.000 0.114 423 I C 2.075 178.360 176.117 0.280 0.000 0.565 423 I CA 3.147 64.578 61.300 0.218 0.000 1.082 423 I CB -0.547 37.635 38.000 0.304 0.000 0.953 423 I HN 0.703 nan 8.210 nan 0.000 0.208 424 R N 0.470 121.162 120.500 0.320 0.000 2.541 424 R HA 0.203 4.543 4.340 0.000 0.000 0.332 424 R C 0.734 177.222 176.300 0.312 0.000 0.951 424 R CA -0.185 56.141 56.100 0.376 0.000 1.136 424 R CB -0.193 30.330 30.300 0.372 0.000 1.449 424 R HN 0.450 nan 8.270 nan 0.000 0.531 425 Q N 3.130 123.078 119.800 0.246 0.000 2.255 425 Q HA 0.156 4.496 4.340 0.000 0.000 0.280 425 Q C -2.064 173.908 176.000 -0.047 0.000 1.068 425 Q CA -1.688 54.189 55.803 0.124 0.000 0.911 425 Q CB 0.782 29.576 28.738 0.093 0.000 1.157 425 Q HN 0.029 nan 8.270 nan 0.000 0.380 426 P HA -0.078 nan 4.420 nan 0.000 0.264 426 P C -1.397 175.642 177.300 -0.434 0.000 1.193 426 P CA 0.087 62.878 63.100 -0.516 0.000 0.763 426 P CB 0.769 32.192 31.700 -0.462 0.000 0.810 427 V N 3.285 122.874 119.914 -0.542 0.000 2.531 427 V HA 0.714 4.834 4.120 0.000 0.000 0.301 427 V C 0.678 176.592 176.094 -0.300 0.000 1.034 427 V CA 0.711 62.835 62.300 -0.294 0.000 0.865 427 V CB 0.754 32.491 31.823 -0.143 0.000 0.995 427 V HN 0.875 nan 8.190 nan 0.000 0.424 428 G N 7.036 115.709 108.800 -0.211 0.000 2.677 428 G HA2 -0.312 3.648 3.960 0.000 0.000 0.321 428 G HA3 -0.312 3.648 3.960 0.000 0.000 0.321 428 G C 0.521 175.282 174.900 -0.232 0.000 1.181 428 G CA 0.746 45.751 45.100 -0.159 0.000 0.965 428 G HN 1.209 nan 8.290 nan 0.000 0.548 429 R N 0.103 120.486 120.500 -0.195 0.000 2.642 429 R HA 0.381 4.721 4.340 0.000 0.000 0.435 429 R C 0.028 176.283 176.300 -0.076 0.000 1.046 429 R CA -0.077 55.913 56.100 -0.184 0.000 1.103 429 R CB 0.557 30.706 30.300 -0.252 0.000 1.425 429 R HN 0.480 nan 8.270 nan 0.000 0.586 430 I N 1.415 121.852 120.570 -0.222 0.000 2.620 430 I HA 0.286 4.456 4.170 0.000 0.000 0.280 430 I C -0.258 175.568 176.117 -0.484 0.000 1.143 430 I CA -0.634 60.613 61.300 -0.088 0.000 1.163 430 I CB -0.082 38.002 38.000 0.141 0.000 1.461 430 I HN -0.119 nan 8.210 nan 0.000 0.530 431 F N 3.393 123.206 119.950 -0.228 0.000 2.480 431 F HA 0.327 4.854 4.527 0.000 0.000 0.319 431 F C 0.268 175.922 175.800 -0.243 0.000 1.230 431 F CA 0.503 58.286 58.000 -0.362 0.000 1.285 431 F CB 0.386 39.316 39.000 -0.117 0.000 1.208 431 F HN 0.102 nan 8.300 nan 0.000 0.579 432 F N 0.555 120.675 119.950 0.283 0.000 2.536 432 F HA 0.655 5.182 4.527 0.000 0.000 0.322 432 F C 0.138 176.036 175.800 0.164 0.000 1.144 432 F CA -0.809 57.303 58.000 0.187 0.000 0.924 432 F CB 1.349 40.433 39.000 0.140 0.000 1.181 432 F HN 0.574 nan 8.300 nan 0.000 0.438 433 A N 2.250 125.272 122.820 0.338 0.000 2.578 433 A HA 1.022 5.342 4.320 0.000 0.000 0.255 433 A C -0.066 177.640 177.584 0.204 0.000 1.251 433 A CA -0.632 51.539 52.037 0.223 0.000 0.882 433 A CB 1.266 20.348 19.000 0.136 0.000 1.416 433 A HN 1.458 nan 8.150 nan 0.000 0.462 434 G N -2.148 106.754 108.800 0.170 0.000 2.697 434 G HA2 0.262 4.222 3.960 0.000 0.000 0.684 434 G HA3 0.262 4.222 3.960 0.000 0.000 0.684 434 G C 0.330 175.344 174.900 0.190 0.000 1.274 434 G CA 0.540 45.739 45.100 0.163 0.000 0.806 434 G HN 1.524 nan 8.290 nan 0.000 0.644 435 T N -0.010 114.657 114.554 0.188 0.000 2.882 435 T HA -0.170 4.180 4.350 0.000 0.000 0.268 435 T C 2.160 177.028 174.700 0.281 0.000 1.104 435 T CA 2.916 65.149 62.100 0.223 0.000 1.118 435 T CB -0.137 68.867 68.868 0.227 0.000 0.831 435 T HN 0.556 nan 8.240 nan 0.000 0.529 436 E N 0.508 120.879 120.200 0.286 0.000 2.047 436 E HA -0.042 4.309 4.350 0.000 0.000 0.191 436 E C 2.381 179.194 176.600 0.355 0.000 0.987 436 E CA 1.632 58.241 56.400 0.348 0.000 0.799 436 E CB -0.534 29.342 29.700 0.294 0.000 0.752 436 E HN 0.665 nan 8.360 nan 0.000 0.449 437 T N -1.772 112.962 114.554 0.301 0.000 3.317 437 T HA 0.466 4.816 4.350 0.000 0.000 0.250 437 T C 0.687 175.574 174.700 0.313 0.000 1.106 437 T CA 0.118 62.406 62.100 0.313 0.000 0.986 437 T CB -0.255 68.792 68.868 0.298 0.000 1.010 437 T HN 0.114 nan 8.240 nan 0.000 0.560 438 A N 1.249 124.250 122.820 0.301 0.000 2.280 438 A HA 0.611 4.931 4.320 0.000 0.000 0.268 438 A C 1.602 179.367 177.584 0.301 0.000 1.111 438 A CA 0.076 52.272 52.037 0.266 0.000 0.814 438 A CB 0.448 19.579 19.000 0.218 0.000 1.093 438 A HN 0.543 nan 8.150 nan 0.000 0.498 439 T N -1.987 112.718 114.554 0.251 0.000 3.182 439 T HA 0.217 4.567 4.350 0.000 0.000 0.244 439 T C 0.861 175.559 174.700 -0.002 0.000 0.981 439 T CA 0.489 62.706 62.100 0.195 0.000 1.182 439 T CB -0.523 68.469 68.868 0.206 0.000 1.043 439 T HN 0.585 nan 8.240 nan 0.000 0.424 440 K N 0.010 120.411 120.400 0.002 0.000 2.219 440 K HA 0.194 4.514 4.320 0.000 0.000 0.258 440 K C -0.805 175.746 176.600 -0.081 0.000 1.008 440 K CA -0.575 55.642 56.287 -0.118 0.000 0.928 440 K CB 0.131 32.643 32.500 0.019 0.000 0.983 440 K HN 0.452 nan 8.250 nan 0.000 0.484 441 W N 1.233 122.339 121.300 -0.322 0.000 7.657 441 W HA -0.258 4.402 4.660 0.000 0.000 0.413 441 W C 0.159 176.480 176.519 -0.331 0.000 1.581 441 W CA 0.490 57.570 57.345 -0.442 0.000 1.228 441 W CB -1.265 28.000 29.460 -0.325 0.000 2.777 441 W HN 0.280 nan 8.180 nan 0.000 1.695 442 S N 0.454 116.034 115.700 -0.201 0.000 2.481 442 S HA 0.525 4.995 4.470 0.000 0.000 0.276 442 S C 1.122 175.763 174.600 0.067 0.000 1.247 442 S CA 0.763 58.973 58.200 0.017 0.000 1.053 442 S CB 1.086 64.368 63.200 0.138 0.000 0.925 442 S HN 1.062 nan 8.310 nan 0.000 0.491 443 G N 3.723 112.709 108.800 0.311 0.000 2.391 443 G HA2 -0.152 3.808 3.960 0.000 0.000 0.204 443 G HA3 -0.152 3.808 3.960 0.000 0.000 0.204 443 G C -0.318 174.916 174.900 0.556 0.000 1.012 443 G CA -0.173 45.228 45.100 0.502 0.000 0.651 443 G HN 0.623 nan 8.290 nan 0.000 0.494 444 Y N 0.440 120.840 120.300 0.168 0.000 2.545 444 Y HA 0.751 5.301 4.550 0.000 0.000 0.324 444 Y C 2.159 178.096 175.900 0.062 0.000 1.220 444 Y CA -0.890 57.264 58.100 0.090 0.000 1.290 444 Y CB 0.515 39.023 38.460 0.081 0.000 1.355 444 Y HN 0.050 nan 8.280 nan 0.000 0.516 445 M N -0.181 119.517 119.600 0.163 0.000 2.065 445 M HA -0.242 4.238 4.480 0.000 0.000 0.259 445 M C 1.956 178.322 176.300 0.110 0.000 1.069 445 M CA 2.243 57.608 55.300 0.107 0.000 1.110 445 M CB -0.423 32.218 32.600 0.068 0.000 1.328 445 M HN 0.794 nan 8.290 nan 0.000 0.405 446 E N 0.621 120.861 120.200 0.066 0.000 2.136 446 E HA -0.224 4.126 4.350 0.000 0.000 0.208 446 E C 1.880 178.550 176.600 0.116 0.000 1.035 446 E CA 2.339 58.760 56.400 0.035 0.000 0.838 446 E CB -0.702 28.919 29.700 -0.132 0.000 0.748 446 E HN 0.515 nan 8.360 nan 0.000 0.459 447 G N -0.291 108.616 108.800 0.178 0.000 2.422 447 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 447 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 447 G C 1.652 176.647 174.900 0.158 0.000 1.140 447 G CA 1.092 46.302 45.100 0.182 0.000 0.775 447 G HN 0.501 nan 8.290 nan 0.000 0.545 448 A N 0.549 123.459 122.820 0.150 0.000 1.849 448 A HA -0.074 4.246 4.320 0.000 0.000 0.217 448 A C 2.604 180.247 177.584 0.098 0.000 1.202 448 A CA 2.229 54.342 52.037 0.126 0.000 0.629 448 A CB -0.987 18.080 19.000 0.112 0.000 0.834 448 A HN 0.309 nan 8.150 nan 0.000 0.447 449 V N 0.181 120.146 119.914 0.085 0.000 2.392 449 V HA -0.293 3.827 4.120 0.000 0.000 0.249 449 V C 2.533 178.658 176.094 0.051 0.000 1.059 449 V CA 2.340 64.676 62.300 0.060 0.000 1.051 449 V CB -0.840 31.016 31.823 0.054 0.000 0.658 449 V HN 0.707 nan 8.190 nan 0.000 0.455 450 E N 0.240 120.484 120.200 0.074 0.000 2.049 450 E HA -0.290 4.060 4.350 0.000 0.000 0.198 450 E C 2.304 178.926 176.600 0.037 0.000 1.007 450 E CA 1.718 58.160 56.400 0.071 0.000 0.809 450 E CB -0.208 29.565 29.700 0.122 0.000 0.749 450 E HN 0.571 nan 8.360 nan 0.000 0.450 451 A N 0.669 123.531 122.820 0.071 0.000 1.902 451 A HA -0.116 4.204 4.320 0.000 0.000 0.217 451 A C 2.391 179.978 177.584 0.005 0.000 1.181 451 A CA 1.899 53.969 52.037 0.056 0.000 0.623 451 A CB -1.108 17.965 19.000 0.122 0.000 0.818 451 A HN 0.452 nan 8.150 nan 0.000 0.443 452 G N -0.324 108.486 108.800 0.016 0.000 2.433 452 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 452 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 452 G C 1.424 176.290 174.900 -0.058 0.000 1.186 452 G CA 0.917 46.015 45.100 -0.003 0.000 0.779 452 G HN 0.625 nan 8.290 nan 0.000 0.543 453 E N 0.125 120.289 120.200 -0.061 0.000 2.051 453 E HA -0.143 4.207 4.350 0.000 0.000 0.192 453 E C 2.530 179.019 176.600 -0.185 0.000 0.991 453 E CA 0.516 56.860 56.400 -0.094 0.000 0.799 453 E CB -0.237 29.429 29.700 -0.057 0.000 0.748 453 E HN 0.310 nan 8.360 nan 0.000 0.449 454 R N 0.696 121.056 120.500 -0.232 0.000 2.096 454 R HA -0.197 4.143 4.340 0.000 0.000 0.240 454 R C 2.293 178.366 176.300 -0.378 0.000 1.139 454 R CA 1.622 57.476 56.100 -0.409 0.000 0.952 454 R CB -0.273 29.709 30.300 -0.529 0.000 0.854 454 R HN 0.158 nan 8.270 nan 0.000 0.436 455 A N 0.314 122.983 122.820 -0.252 0.000 1.930 455 A HA -0.056 4.264 4.320 0.000 0.000 0.217 455 A C 2.311 179.663 177.584 -0.386 0.000 1.175 455 A CA 1.571 53.456 52.037 -0.254 0.000 0.627 455 A CB -0.571 18.387 19.000 -0.071 0.000 0.815 455 A HN 0.529 nan 8.150 nan 0.000 0.443 456 A N 0.216 122.866 122.820 -0.283 0.000 1.858 456 A HA -0.182 4.138 4.320 0.000 0.000 0.216 456 A C 2.219 179.560 177.584 -0.405 0.000 1.190 456 A CA 1.530 53.394 52.037 -0.288 0.000 0.617 456 A CB -0.551 18.336 19.000 -0.188 0.000 0.827 456 A HN 0.536 nan 8.150 nan 0.000 0.443 457 R N -0.418 119.849 120.500 -0.389 0.000 2.127 457 R HA -0.165 4.175 4.340 0.000 0.000 0.238 457 R C 2.099 178.126 176.300 -0.456 0.000 1.134 457 R CA 1.550 57.403 56.100 -0.412 0.000 0.975 457 R CB -0.329 29.768 30.300 -0.339 0.000 0.865 457 R HN 0.708 nan 8.270 nan 0.000 0.447 458 E N 0.224 120.083 120.200 -0.568 0.000 2.007 458 E HA -0.164 4.186 4.350 0.000 0.000 0.194 458 E C 2.086 178.191 176.600 -0.825 0.000 0.999 458 E CA 1.555 57.525 56.400 -0.717 0.000 0.811 458 E CB -0.044 28.983 29.700 -1.123 0.000 0.762 458 E HN 0.015 nan 8.360 nan 0.000 0.450 459 V N 1.393 120.675 119.914 -1.053 0.000 2.231 459 V HA -0.340 3.781 4.120 0.000 0.000 0.250 459 V C 2.430 178.085 176.094 -0.731 0.000 1.058 459 V CA 1.933 63.661 62.300 -0.954 0.000 1.022 459 V CB -0.630 30.765 31.823 -0.714 0.000 0.640 459 V HN 0.326 nan 8.190 nan 0.000 0.445 460 L N 0.358 121.249 121.223 -0.553 0.000 2.034 460 L HA -0.313 4.027 4.340 0.000 0.000 0.217 460 L C 2.442 179.108 176.870 -0.340 0.000 1.077 460 L CA 2.571 57.141 54.840 -0.451 0.000 0.769 460 L CB -0.704 41.025 42.059 -0.550 0.000 0.890 460 L HN 0.626 nan 8.230 nan 0.000 0.435 461 N N -0.350 118.162 118.700 -0.313 0.000 2.244 461 N HA -0.121 4.619 4.740 0.000 0.000 0.183 461 N C 1.739 177.186 175.510 -0.106 0.000 1.016 461 N CA 1.272 54.214 53.050 -0.180 0.000 0.866 461 N CB -0.175 38.224 38.487 -0.146 0.000 0.980 461 N HN 0.216 nan 8.380 nan 0.000 0.430 462 G N -0.005 108.713 108.800 -0.137 0.000 2.484 462 G HA2 -0.045 3.915 3.960 0.000 0.000 0.218 462 G HA3 -0.045 3.915 3.960 0.000 0.000 0.218 462 G C 1.420 176.339 174.900 0.032 0.000 1.130 462 G CA 0.336 45.448 45.100 0.021 0.000 0.784 462 G HN 0.303 nan 8.290 nan 0.000 0.543 463 L N -0.710 120.449 121.223 -0.107 0.000 2.162 463 L HA 0.260 4.600 4.340 0.000 0.000 0.205 463 L C 2.289 179.150 176.870 -0.015 0.000 1.086 463 L CA 1.071 55.889 54.840 -0.037 0.000 0.778 463 L CB 0.092 42.087 42.059 -0.105 0.000 0.928 463 L HN 0.417 nan 8.230 nan 0.000 0.446 464 G N -0.815 107.955 108.800 -0.050 0.000 2.705 464 G HA2 -0.200 3.760 3.960 0.000 0.000 0.193 464 G HA3 -0.200 3.760 3.960 0.000 0.000 0.193 464 G C 0.983 175.864 174.900 -0.032 0.000 1.015 464 G CA -0.094 44.992 45.100 -0.022 0.000 0.743 464 G HN 0.141 nan 8.290 nan 0.000 0.476 465 K N 0.103 120.472 120.400 -0.052 0.000 2.442 465 K HA 0.250 4.570 4.320 0.000 0.000 0.198 465 K C 0.571 177.136 176.600 -0.058 0.000 1.044 465 K CA 1.045 57.319 56.287 -0.022 0.000 0.948 465 K CB 0.451 32.955 32.500 0.007 0.000 0.762 465 K HN 0.311 nan 8.250 nan 0.000 0.472 466 V N 0.957 120.795 119.914 -0.126 0.000 2.962 466 V HA 0.116 4.236 4.120 0.000 0.000 0.313 466 V C -0.153 175.902 176.094 -0.065 0.000 1.099 466 V CA -0.798 61.435 62.300 -0.112 0.000 0.971 466 V CB 2.396 34.087 31.823 -0.221 0.000 1.028 466 V HN 0.112 nan 8.190 nan 0.000 0.430 467 T N 2.093 116.630 114.554 -0.029 0.000 2.816 467 T HA 0.225 4.575 4.350 0.000 0.000 0.282 467 T C 1.081 175.782 174.700 0.002 0.000 0.993 467 T CA 0.057 62.155 62.100 -0.002 0.000 0.994 467 T CB 1.021 69.900 68.868 0.018 0.000 1.025 467 T HN 0.892 nan 8.240 nan 0.000 0.529 468 E N 1.710 121.926 120.200 0.028 0.000 1.997 468 E HA -0.196 4.154 4.350 0.000 0.000 0.201 468 E C 1.771 178.424 176.600 0.089 0.000 1.011 468 E CA 1.062 57.497 56.400 0.058 0.000 0.847 468 E CB -0.319 29.420 29.700 0.065 0.000 0.787 468 E HN 0.512 nan 8.360 nan 0.000 0.472 469 K N 0.425 120.875 120.400 0.084 0.000 2.242 469 K HA -0.208 4.112 4.320 0.000 0.000 0.206 469 K C 1.733 178.394 176.600 0.102 0.000 1.045 469 K CA 1.594 57.939 56.287 0.098 0.000 0.930 469 K CB -0.213 32.325 32.500 0.065 0.000 0.726 469 K HN 0.213 nan 8.250 nan 0.000 0.462 470 D N 0.412 120.850 120.400 0.064 0.000 2.310 470 D HA -0.073 4.567 4.640 0.000 0.000 0.212 470 D C 1.078 177.392 176.300 0.023 0.000 0.965 470 D CA 0.702 54.727 54.000 0.041 0.000 0.879 470 D CB 0.065 40.872 40.800 0.010 0.000 0.921 470 D HN 0.249 nan 8.370 nan 0.000 0.510 471 I N -1.149 119.439 120.570 0.031 0.000 3.605 471 I HA -0.085 4.085 4.170 0.000 0.000 0.301 471 I C 0.447 176.427 176.117 -0.228 0.000 1.267 471 I CA 0.306 61.537 61.300 -0.115 0.000 1.236 471 I CB -0.152 37.756 38.000 -0.153 0.000 1.010 471 I HN 0.043 nan 8.210 nan 0.000 0.491 472 W N -0.547 120.750 121.300 -0.004 0.000 1.737 472 W HA 0.260 4.920 4.660 0.000 0.000 0.262 472 W C 0.307 176.833 176.519 0.011 0.000 0.852 472 W CA -0.305 57.045 57.345 0.008 0.000 1.462 472 W CB 0.363 29.832 29.460 0.015 0.000 1.005 472 W HN -0.346 nan 8.180 nan 0.000 0.472 473 V N 2.549 122.559 119.914 0.160 0.000 3.141 473 V HA -0.310 3.810 4.120 0.000 0.000 0.280 473 V C 0.957 177.121 176.094 0.118 0.000 1.388 473 V CA 0.765 63.130 62.300 0.109 0.000 1.417 473 V CB -0.621 31.236 31.823 0.057 0.000 0.805 473 V HN 0.251 nan 8.190 nan 0.000 0.434 474 Q N 3.611 123.471 119.800 0.100 0.000 2.700 474 Q HA 0.270 4.610 4.340 0.000 0.000 0.232 474 Q C 0.299 176.338 176.000 0.065 0.000 1.110 474 Q CA 0.460 56.311 55.803 0.080 0.000 1.026 474 Q CB 0.354 29.127 28.738 0.058 0.000 1.311 474 Q HN 0.971 nan 8.270 nan 0.000 0.583 475 E N -0.026 120.209 120.200 0.058 0.000 2.580 475 E HA 0.320 4.670 4.350 0.000 0.000 0.248 475 E C -2.563 174.063 176.600 0.043 0.000 1.018 475 E CA -1.981 54.451 56.400 0.053 0.000 0.775 475 E CB 0.467 30.207 29.700 0.067 0.000 1.378 475 E HN 0.247 nan 8.360 nan 0.000 0.401 476 P HA -0.072 nan 4.420 nan 0.000 0.263 476 P C -0.254 177.062 177.300 0.027 0.000 1.195 476 P CA 0.023 63.140 63.100 0.027 0.000 0.762 476 P CB 0.786 32.500 31.700 0.022 0.000 0.799 477 E N 2.719 122.934 120.200 0.026 0.000 2.351 477 E HA 0.008 4.358 4.350 0.000 0.000 0.266 477 E C -0.184 176.428 176.600 0.020 0.000 1.031 477 E CA -0.052 56.363 56.400 0.026 0.000 0.911 477 E CB 0.411 30.126 29.700 0.025 0.000 0.986 477 E HN 0.332 nan 8.360 nan 0.000 0.446 478 S N 4.264 119.976 115.700 0.020 0.000 2.673 478 S HA -0.071 4.399 4.470 0.000 0.000 0.308 478 S C 1.026 175.635 174.600 0.014 0.000 1.246 478 S CA 0.222 58.432 58.200 0.017 0.000 1.077 478 S CB 0.294 63.505 63.200 0.017 0.000 0.814 478 S HN 0.508 nan 8.310 nan 0.000 0.503 479 K N 3.336 123.744 120.400 0.013 0.000 2.442 479 K HA -0.108 4.212 4.320 0.000 0.000 0.198 479 K C 0.897 177.505 176.600 0.012 0.000 1.044 479 K CA 1.196 57.490 56.287 0.011 0.000 0.948 479 K CB 0.008 32.514 32.500 0.010 0.000 0.762 479 K HN 0.551 nan 8.250 nan 0.000 0.472 480 D N 0.008 120.416 120.400 0.014 0.000 2.202 480 D HA -0.021 4.619 4.640 0.000 0.000 0.214 480 D C -0.019 176.290 176.300 0.014 0.000 0.967 480 D CA 0.707 54.718 54.000 0.017 0.000 0.871 480 D CB 0.502 41.316 40.800 0.024 0.000 1.020 480 D HN -0.196 nan 8.370 nan 0.000 0.474 481 V N 3.447 123.368 119.914 0.011 0.000 2.239 481 V HA 0.287 4.408 4.120 0.000 0.000 0.267 481 V C -2.427 173.667 176.094 -0.001 0.000 1.056 481 V CA -1.234 61.066 62.300 0.001 0.000 0.830 481 V CB 1.150 32.969 31.823 -0.008 0.000 1.090 481 V HN 0.046 nan 8.190 nan 0.000 0.459 482 P HA 0.393 nan 4.420 nan 0.000 0.291 482 P C -0.144 177.159 177.300 0.004 0.000 1.340 482 P CA -0.104 62.999 63.100 0.005 0.000 0.799 482 P CB 1.330 33.033 31.700 0.005 0.000 0.917 483 A N 4.248 127.075 122.820 0.011 0.000 2.511 483 A HA 0.315 4.635 4.320 0.000 0.000 0.242 483 A C 0.243 177.834 177.584 0.011 0.000 1.069 483 A CA -0.071 51.976 52.037 0.017 0.000 0.763 483 A CB -0.088 18.935 19.000 0.038 0.000 1.001 483 A HN 0.418 nan 8.150 nan 0.000 0.498 484 V N 3.291 123.208 119.914 0.005 0.000 2.394 484 V HA 0.256 4.376 4.120 0.000 0.000 0.282 484 V C 0.566 176.660 176.094 -0.001 0.000 1.031 484 V CA -0.724 61.575 62.300 -0.000 0.000 0.881 484 V CB 1.130 32.948 31.823 -0.009 0.000 0.982 484 V HN 1.026 nan 8.190 nan 0.000 0.451 485 E N 3.562 123.763 120.200 0.001 0.000 2.415 485 E HA 0.191 4.541 4.350 0.000 0.000 0.262 485 E C 0.175 176.769 176.600 -0.010 0.000 1.038 485 E CA -0.336 56.066 56.400 0.004 0.000 0.921 485 E CB 0.725 30.431 29.700 0.010 0.000 0.950 485 E HN 0.615 nan 8.360 nan 0.000 0.438 486 I N 1.060 121.623 120.570 -0.011 0.000 2.556 486 I HA 0.175 4.345 4.170 0.000 0.000 0.177 486 I C 0.500 176.524 176.117 -0.156 0.000 1.387 486 I CA -0.413 60.834 61.300 -0.088 0.000 0.595 486 I CB 0.082 38.025 38.000 -0.094 0.000 1.857 486 I HN 0.367 nan 8.210 nan 0.000 1.071 487 T N -0.666 113.650 114.554 -0.398 0.000 3.393 487 T HA 0.343 4.693 4.350 0.000 0.000 0.359 487 T C -1.457 172.892 174.700 -0.585 0.000 1.380 487 T CA -0.661 61.251 62.100 -0.313 0.000 1.132 487 T CB 0.886 69.680 68.868 -0.124 0.000 1.284 487 T HN 0.531 nan 8.240 nan 0.000 0.477 488 H N 1.103 120.190 119.070 0.029 0.000 2.708 488 H HA 0.446 5.002 4.556 0.000 0.000 0.320 488 H C 0.244 175.604 175.328 0.052 0.000 0.991 488 H CA -0.611 55.463 56.048 0.043 0.000 1.243 488 H CB 0.878 30.653 29.762 0.020 0.000 1.446 488 H HN 0.467 nan 8.280 nan 0.000 0.502 489 T N 2.197 116.860 114.554 0.181 0.000 2.932 489 T HA -0.084 4.266 4.350 0.000 0.000 0.312 489 T C 1.396 176.174 174.700 0.130 0.000 1.071 489 T CA -0.290 61.921 62.100 0.185 0.000 1.128 489 T CB 0.591 69.687 68.868 0.380 0.000 0.984 489 T HN 0.573 nan 8.240 nan 0.000 0.549 490 F N 1.509 121.318 119.950 -0.235 0.000 2.100 490 F HA -0.317 4.210 4.527 0.000 0.000 0.293 490 F C 2.050 177.725 175.800 -0.209 0.000 1.137 490 F CA 2.076 59.846 58.000 -0.385 0.000 1.252 490 F CB -0.308 38.195 39.000 -0.829 0.000 0.934 490 F HN 0.668 nan 8.300 nan 0.000 0.524 491 W N 0.615 122.251 121.300 0.559 0.000 2.392 491 W HA -0.139 4.521 4.660 -0.000 0.000 0.279 491 W C 2.247 178.841 176.519 0.126 0.000 1.225 491 W CA 1.200 58.764 57.345 0.365 0.000 1.233 491 W CB -1.267 28.390 29.460 0.329 0.000 1.122 491 W HN 0.337 nan 8.180 nan 0.000 0.561 492 E N 0.414 120.844 120.200 0.383 0.000 2.097 492 E HA -0.251 4.099 4.350 0.000 0.000 0.196 492 E C 2.226 178.875 176.600 0.082 0.000 1.000 492 E CA 1.462 57.995 56.400 0.222 0.000 0.804 492 E CB -0.397 29.450 29.700 0.245 0.000 0.740 492 E HN 0.253 nan 8.360 nan 0.000 0.454 493 R N 0.197 120.691 120.500 -0.010 0.000 2.210 493 R HA 0.053 4.393 4.340 0.000 0.000 0.203 493 R C 1.334 177.534 176.300 -0.167 0.000 1.010 493 R CA 0.609 56.644 56.100 -0.109 0.000 1.008 493 R CB 0.290 30.490 30.300 -0.167 0.000 0.923 493 R HN 0.094 nan 8.270 nan 0.000 0.469 494 N N -0.314 118.259 118.700 -0.210 0.000 2.171 494 N HA 0.129 4.869 4.740 0.000 0.000 0.212 494 N C -0.390 175.111 175.510 -0.015 0.000 1.184 494 N CA -0.189 52.718 53.050 -0.238 0.000 0.888 494 N CB 0.909 38.983 38.487 -0.688 0.000 1.038 494 N HN 0.047 nan 8.380 nan 0.000 0.517 495 L N 1.964 123.236 121.223 0.081 0.000 2.436 495 L HA 0.270 4.610 4.340 0.000 0.000 0.265 495 L C -1.693 175.174 176.870 -0.005 0.000 1.168 495 L CA -1.406 53.488 54.840 0.090 0.000 0.815 495 L CB 0.156 42.278 42.059 0.105 0.000 1.109 495 L HN -0.139 nan 8.230 nan 0.000 0.462 496 P HA 0.091 nan 4.420 nan 0.000 0.300 496 P C -0.943 176.296 177.300 -0.101 0.000 1.294 496 P CA -0.299 62.762 63.100 -0.065 0.000 0.757 496 P CB 0.444 32.099 31.700 -0.074 0.000 1.377 497 S N -2.683 112.937 115.700 -0.134 0.000 2.697 497 S HA 0.349 4.819 4.470 0.000 0.000 0.289 497 S C 0.890 175.322 174.600 -0.280 0.000 1.149 497 S CA -0.716 57.380 58.200 -0.174 0.000 0.850 497 S CB 0.696 63.816 63.200 -0.132 0.000 1.151 497 S HN 0.052 nan 8.310 nan 0.000 0.491 498 V N 1.571 121.236 119.914 -0.414 0.000 2.307 498 V HA -0.157 3.963 4.120 0.000 0.000 0.245 498 V C 2.648 178.116 176.094 -1.044 0.000 1.045 498 V CA 2.419 64.276 62.300 -0.739 0.000 1.024 498 V CB -1.683 29.589 31.823 -0.918 0.000 0.651 498 V HN 0.937 nan 8.190 nan 0.000 0.449 499 S N 1.147 116.240 115.700 -1.011 0.000 2.378 499 S HA -0.268 4.202 4.470 0.000 0.000 0.229 499 S C 2.073 176.507 174.600 -0.277 0.000 1.052 499 S CA 1.868 59.829 58.200 -0.398 0.000 1.084 499 S CB -1.160 62.116 63.200 0.127 0.000 0.950 499 S HN 0.704 nan 8.310 nan 0.000 0.440 500 G N 1.805 110.474 108.800 -0.219 0.000 2.524 500 G HA2 -0.161 3.799 3.960 0.000 0.000 0.215 500 G HA3 -0.161 3.799 3.960 0.000 0.000 0.215 500 G C 1.294 176.091 174.900 -0.171 0.000 1.239 500 G CA 0.921 45.929 45.100 -0.153 0.000 0.798 500 G HN 0.404 nan 8.290 nan 0.000 0.557 501 L N 0.641 121.742 121.223 -0.204 0.000 2.270 501 L HA -0.019 4.321 4.340 0.000 0.000 0.217 501 L C 2.604 179.377 176.870 -0.161 0.000 1.107 501 L CA 1.162 55.903 54.840 -0.165 0.000 0.772 501 L CB -0.384 41.574 42.059 -0.169 0.000 0.902 501 L HN 0.256 nan 8.230 nan 0.000 0.439 502 L N -1.082 120.012 121.223 -0.215 0.000 2.023 502 L HA -0.194 4.146 4.340 0.000 0.000 0.205 502 L C 2.358 179.169 176.870 -0.098 0.000 1.073 502 L CA 1.284 56.022 54.840 -0.170 0.000 0.745 502 L CB -0.442 41.479 42.059 -0.230 0.000 0.900 502 L HN 0.148 nan 8.230 nan 0.000 0.435 503 K N 0.043 120.391 120.400 -0.087 0.000 2.442 503 K HA -0.080 4.240 4.320 0.000 0.000 0.198 503 K C 1.815 178.389 176.600 -0.044 0.000 1.044 503 K CA 0.908 57.166 56.287 -0.048 0.000 0.948 503 K CB -0.065 32.413 32.500 -0.037 0.000 0.762 503 K HN 0.372 nan 8.250 nan 0.000 0.472 504 I N 0.150 120.686 120.570 -0.057 0.000 2.585 504 I HA -0.155 4.015 4.170 0.000 0.000 0.254 504 I C 1.925 178.019 176.117 -0.039 0.000 1.129 504 I CA 0.822 62.095 61.300 -0.045 0.000 1.455 504 I CB -0.076 37.894 38.000 -0.050 0.000 1.111 504 I HN 0.034 nan 8.210 nan 0.000 0.433 505 I N 0.707 121.249 120.570 -0.048 0.000 2.353 505 I HA -0.031 4.139 4.170 0.000 0.000 0.248 505 I C 1.598 177.698 176.117 -0.028 0.000 1.119 505 I CA 0.574 61.851 61.300 -0.037 0.000 1.417 505 I CB -0.605 37.368 38.000 -0.045 0.000 1.078 505 I HN 0.155 nan 8.210 nan 0.000 0.421 506 G N 0.000 108.782 108.800 -0.030 0.000 5.446 506 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 506 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 506 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 506 G HN 0.000 nan 8.290 nan 0.000 0.925