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 3ekd_1_B DATA FIRST_RESID 2 DATA SEQUENCE IKEMPQPKTF GELKNLPLLN TDKPVQALMK IADELGEIFK FEAPGRVTRY DATA SEQUENCE LSSQRLIKEA CDESRFDKNL SQALKFVRDF AGDGLFTSWT HEKNWKKAHN DATA SEQUENCE ILLPSFSQQA MKGYHAMMVD IAVQLVQKWE RLNADEHIEV PEDMTRLTLD DATA SEQUENCE TIGLCGFNYR FNSFYRDQPH PFITSMVRAL DEAMNKLQRA NPDDPAYDEN DATA SEQUENCE KRQFQEDIKV MNDLVDKIIA DRKASXXQSD DLLTHMLNGK DPETGEPLDD DATA SEQUENCE ENIRYQIITF LIMGHETTSG LLSFALYFLV KNPHVLQKAA EEAARVLVDP DATA SEQUENCE VPSYKQVKQL KYVGMVLNEA LRLWPTAPAF SLYAKEDTVL GGEYPLEKGD DATA SEQUENCE ELMVLIPQLH RDKTIWGDDV EEFRPERFEN PSAIPQHAFK PFGNGQRACI DATA SEQUENCE GQQFALHEAT LVLGMMLKHF DFEDHTNYEL DIKETLTLKP EGFVVKAKSK DATA SEQUENCE KIPLGGI 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.021 176.117 -0.159 0.000 1.063 2 I CA 0.000 61.226 61.300 -0.123 0.000 1.566 2 I CB 0.000 37.961 38.000 -0.066 0.000 1.214 3 K N 1.464 121.728 120.400 -0.226 0.000 2.502 3 K HA 0.714 5.034 4.320 -0.000 0.000 0.257 3 K C -0.581 176.000 176.600 -0.032 0.000 0.938 3 K CA -0.489 55.693 56.287 -0.175 0.000 0.819 3 K CB 2.063 34.378 32.500 -0.309 0.000 1.333 3 K HN 0.786 nan 8.250 nan 0.000 0.434 4 E N 2.139 122.362 120.200 0.038 0.000 1.998 4 E HA 0.340 4.690 4.350 -0.000 0.000 0.257 4 E C 0.226 176.905 176.600 0.132 0.000 1.038 4 E CA -0.415 56.034 56.400 0.082 0.000 0.869 4 E CB 0.260 29.987 29.700 0.046 0.000 1.135 4 E HN 0.635 nan 8.360 nan 0.000 0.430 5 M N 2.788 122.512 119.600 0.206 0.000 2.188 5 M HA 0.046 4.526 4.480 -0.000 0.000 0.373 5 M C -1.951 174.425 176.300 0.126 0.000 1.192 5 M CA -0.440 54.974 55.300 0.191 0.000 0.854 5 M CB 0.559 33.246 32.600 0.146 0.000 1.821 5 M HN 0.353 nan 8.290 nan 0.000 0.488 6 P HA 0.354 nan 4.420 nan 0.000 0.278 6 P C -1.779 175.601 177.300 0.134 0.000 1.258 6 P CA -0.454 62.711 63.100 0.108 0.000 0.811 6 P CB 0.908 32.669 31.700 0.100 0.000 1.063 7 Q N 0.388 120.238 119.800 0.084 0.000 2.340 7 Q HA 0.257 4.597 4.340 -0.000 0.000 0.276 7 Q C -2.131 173.870 176.000 0.002 0.000 1.048 7 Q CA -1.543 54.310 55.803 0.083 0.000 0.832 7 Q CB 2.197 30.965 28.738 0.050 0.000 1.373 7 Q HN 0.322 nan 8.270 nan 0.000 0.409 8 P HA -0.051 nan 4.420 nan 0.000 0.259 8 P C -0.132 177.111 177.300 -0.095 0.000 1.307 8 P CA 1.009 64.064 63.100 -0.076 0.000 0.768 8 P CB -0.452 31.210 31.700 -0.063 0.000 1.199 9 K N -0.816 119.532 120.400 -0.086 0.000 5.226 9 K HA -0.068 4.252 4.320 -0.000 0.000 0.572 9 K C 0.391 176.898 176.600 -0.155 0.000 2.579 9 K CA 1.025 57.248 56.287 -0.108 0.000 2.030 9 K CB -2.893 29.540 32.500 -0.112 0.000 2.527 9 K HN 0.575 nan 8.250 nan 0.000 0.150 10 T N -2.048 112.420 114.554 -0.142 0.000 2.771 10 T HA 0.764 5.114 4.350 -0.000 0.000 0.290 10 T C 0.530 175.108 174.700 -0.203 0.000 1.005 10 T CA 0.585 62.618 62.100 -0.112 0.000 0.944 10 T CB 0.609 69.445 68.868 -0.052 0.000 1.147 10 T HN 1.130 nan 8.240 nan 0.000 0.534 11 F N 0.365 120.286 119.950 -0.048 0.000 2.761 11 F HA 0.510 5.037 4.527 -0.000 0.000 0.367 11 F C 1.537 177.323 175.800 -0.023 0.000 1.386 11 F CA 0.078 58.061 58.000 -0.029 0.000 1.177 11 F CB 0.225 39.213 39.000 -0.021 0.000 1.092 11 F HN 1.186 nan 8.300 nan 0.000 0.517 12 G N 1.110 109.963 108.800 0.088 0.000 2.687 12 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.303 12 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.303 12 G C 1.209 176.139 174.900 0.050 0.000 1.209 12 G CA 0.644 45.778 45.100 0.056 0.000 0.968 12 G HN 0.419 nan 8.290 nan 0.000 0.549 13 E N 0.497 120.729 120.200 0.054 0.000 2.318 13 E HA 0.259 4.608 4.350 -0.000 0.000 0.193 13 E C 2.414 179.037 176.600 0.038 0.000 0.998 13 E CA 0.436 56.858 56.400 0.037 0.000 0.859 13 E CB -0.050 29.668 29.700 0.030 0.000 0.812 13 E HN 0.532 nan 8.360 nan 0.000 0.492 14 L N 0.718 121.974 121.223 0.055 0.000 2.607 14 L HA 0.058 4.398 4.340 -0.000 0.000 0.228 14 L C 0.201 177.100 176.870 0.049 0.000 1.123 14 L CA -0.139 54.727 54.840 0.043 0.000 0.890 14 L CB 0.076 42.146 42.059 0.018 0.000 1.103 14 L HN -0.014 nan 8.230 nan 0.000 0.468 15 K N -0.307 120.124 120.400 0.052 0.000 1.782 15 K HA -0.312 4.008 4.320 -0.000 0.000 0.503 15 K C 0.465 177.073 176.600 0.012 0.000 1.802 15 K CA 1.531 57.823 56.287 0.009 0.000 0.860 15 K CB -1.111 31.372 32.500 -0.028 0.000 1.373 15 K HN 0.147 nan 8.250 nan 0.000 0.711 16 N N 1.063 119.666 118.700 -0.162 0.000 2.635 16 N HA -0.094 4.646 4.740 -0.000 0.000 0.191 16 N C 1.464 176.926 175.510 -0.079 0.000 1.155 16 N CA 0.616 53.496 53.050 -0.283 0.000 0.927 16 N CB -0.093 37.800 38.487 -0.990 0.000 0.976 16 N HN 0.334 nan 8.380 nan 0.000 0.448 17 L N 1.302 122.544 121.223 0.031 0.000 2.083 17 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 17 L C -0.979 175.945 176.870 0.090 0.000 1.083 17 L CA 1.662 56.574 54.840 0.119 0.000 0.752 17 L CB -0.925 41.179 42.059 0.077 0.000 0.899 17 L HN 0.054 nan 8.230 nan 0.000 0.433 18 P HA -0.128 nan 4.420 nan 0.000 0.225 18 P C 1.963 179.256 177.300 -0.012 0.000 1.148 18 P CA 1.152 64.112 63.100 -0.233 0.000 0.779 18 P CB -0.050 31.071 31.700 -0.965 0.000 0.780 19 L N -1.357 119.991 121.223 0.209 0.000 2.083 19 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 19 L C 1.495 178.463 176.870 0.162 0.000 1.083 19 L CA 1.145 56.129 54.840 0.240 0.000 0.752 19 L CB -0.789 41.451 42.059 0.301 0.000 0.899 19 L HN -0.016 nan 8.230 nan 0.000 0.433 20 L N 0.388 121.717 121.223 0.176 0.000 3.001 20 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 20 L C 0.610 177.516 176.870 0.059 0.000 1.321 20 L CA -0.042 54.858 54.840 0.100 0.000 1.138 20 L CB -0.587 41.526 42.059 0.090 0.000 1.503 20 L HN 0.186 nan 8.230 nan 0.000 0.487 21 N N 1.370 120.093 118.700 0.039 0.000 3.131 21 N HA 0.096 4.836 4.740 -0.000 0.000 0.312 21 N C -0.530 174.984 175.510 0.008 0.000 1.433 21 N CA 0.164 53.220 53.050 0.010 0.000 1.141 21 N CB 0.618 39.093 38.487 -0.020 0.000 1.431 21 N HN 0.245 nan 8.380 nan 0.000 0.523 22 T N -0.958 113.603 114.554 0.011 0.000 2.883 22 T HA 0.167 4.517 4.350 -0.000 0.000 0.301 22 T C 0.349 175.050 174.700 0.001 0.000 1.158 22 T CA -0.647 61.457 62.100 0.007 0.000 1.007 22 T CB 1.014 69.889 68.868 0.012 0.000 1.186 22 T HN 0.187 nan 8.240 nan 0.000 0.499 23 D N 1.714 122.112 120.400 -0.003 0.000 2.348 23 D HA 0.028 4.668 4.640 -0.000 0.000 0.216 23 D C 0.255 176.549 176.300 -0.010 0.000 0.970 23 D CA 0.671 54.666 54.000 -0.008 0.000 0.889 23 D CB 0.010 40.803 40.800 -0.011 0.000 0.912 23 D HN 0.548 nan 8.370 nan 0.000 0.524 24 K N 0.837 121.232 120.400 -0.009 0.000 2.842 24 K HA 0.198 4.518 4.320 -0.000 0.000 0.176 24 K C -2.037 174.559 176.600 -0.007 0.000 1.080 24 K CA -1.440 54.840 56.287 -0.012 0.000 0.954 24 K CB 2.231 34.719 32.500 -0.020 0.000 1.203 24 K HN -0.135 nan 8.250 nan 0.000 0.611 25 P HA -0.204 nan 4.420 nan 0.000 0.216 25 P C 1.349 178.625 177.300 -0.039 0.000 1.153 25 P CA 1.077 64.164 63.100 -0.021 0.000 0.858 25 P CB 0.279 31.967 31.700 -0.020 0.000 0.789 26 V N 0.166 120.068 119.914 -0.019 0.000 2.379 26 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 26 V C 2.812 178.913 176.094 0.012 0.000 1.044 26 V CA 1.808 64.100 62.300 -0.013 0.000 1.036 26 V CB -1.454 30.386 31.823 0.028 0.000 0.664 26 V HN 0.089 nan 8.190 nan 0.000 0.453 27 Q N -0.070 119.748 119.800 0.031 0.000 2.124 27 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 27 Q C 2.382 178.397 176.000 0.025 0.000 0.977 27 Q CA 1.751 57.587 55.803 0.056 0.000 0.850 27 Q CB -0.438 28.324 28.738 0.040 0.000 0.901 27 Q HN 0.683 nan 8.270 nan 0.000 0.429 28 A N 0.688 123.509 122.820 0.001 0.000 1.877 28 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 28 A C 2.028 179.592 177.584 -0.033 0.000 1.186 28 A CA 1.143 53.175 52.037 -0.008 0.000 0.620 28 A CB -0.682 18.317 19.000 -0.001 0.000 0.822 28 A HN 0.315 nan 8.150 nan 0.000 0.443 29 L N -1.207 119.975 121.223 -0.068 0.000 2.083 29 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 29 L C 2.875 179.713 176.870 -0.054 0.000 1.083 29 L CA 1.541 56.315 54.840 -0.110 0.000 0.752 29 L CB -0.488 41.414 42.059 -0.262 0.000 0.899 29 L HN 0.436 nan 8.230 nan 0.000 0.433 30 M N -0.708 118.876 119.600 -0.028 0.000 2.117 30 M HA -0.250 4.230 4.480 -0.000 0.000 0.262 30 M C 2.376 178.669 176.300 -0.011 0.000 1.065 30 M CA 1.690 56.989 55.300 -0.003 0.000 1.114 30 M CB -0.402 32.214 32.600 0.027 0.000 1.361 30 M HN 0.106 nan 8.290 nan 0.000 0.408 31 K N 0.914 121.307 120.400 -0.013 0.000 2.063 31 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 31 K C 1.719 178.279 176.600 -0.066 0.000 1.048 31 K CA 1.427 57.700 56.287 -0.024 0.000 0.928 31 K CB -0.186 32.307 32.500 -0.012 0.000 0.713 31 K HN 0.342 nan 8.250 nan 0.000 0.442 32 I N 0.483 120.988 120.570 -0.109 0.000 2.315 32 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 32 I C 2.382 178.321 176.117 -0.297 0.000 1.117 32 I CA 0.924 62.082 61.300 -0.236 0.000 1.404 32 I CB -0.275 37.519 38.000 -0.343 0.000 1.071 32 I HN 0.162 nan 8.210 nan 0.000 0.419 33 A N 0.431 123.165 122.820 -0.144 0.000 1.930 33 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 33 A C 1.913 179.486 177.584 -0.018 0.000 1.175 33 A CA 1.850 53.886 52.037 -0.003 0.000 0.627 33 A CB -0.505 18.584 19.000 0.149 0.000 0.815 33 A HN 0.304 nan 8.150 nan 0.000 0.443 34 D N -0.036 120.346 120.400 -0.028 0.000 2.104 34 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 34 D C 1.884 178.166 176.300 -0.030 0.000 0.994 34 D CA 1.568 55.558 54.000 -0.018 0.000 0.830 34 D CB -0.405 40.386 40.800 -0.014 0.000 0.959 34 D HN 0.643 nan 8.370 nan 0.000 0.452 35 E N -0.531 119.634 120.200 -0.059 0.000 2.209 35 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 35 E C 1.355 177.919 176.600 -0.060 0.000 0.993 35 E CA 0.659 57.020 56.400 -0.064 0.000 0.819 35 E CB 0.142 29.788 29.700 -0.090 0.000 0.745 35 E HN 0.333 nan 8.360 nan 0.000 0.477 36 L N -1.772 119.409 121.223 -0.070 0.000 3.217 36 L HA 0.391 4.730 4.340 -0.000 0.000 0.288 36 L C 0.772 177.661 176.870 0.032 0.000 1.202 36 L CA -0.160 54.655 54.840 -0.042 0.000 1.027 36 L CB 0.834 42.825 42.059 -0.114 0.000 1.427 36 L HN 0.137 nan 8.230 nan 0.000 0.600 37 G N 1.961 110.789 108.800 0.046 0.000 2.548 37 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.208 37 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.208 37 G C 0.341 175.301 174.900 0.099 0.000 1.308 37 G CA 0.096 45.239 45.100 0.071 0.000 0.924 37 G HN 0.396 nan 8.290 nan 0.000 0.540 38 E N -0.743 119.505 120.200 0.081 0.000 2.338 38 E HA 0.263 4.613 4.350 -0.000 0.000 0.197 38 E C 1.283 177.900 176.600 0.028 0.000 1.007 38 E CA 1.329 57.763 56.400 0.057 0.000 0.849 38 E CB 0.763 30.489 29.700 0.044 0.000 0.774 38 E HN 0.912 nan 8.360 nan 0.000 0.506 39 I N 0.332 120.930 120.570 0.047 0.000 2.685 39 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 39 I C -1.736 174.451 176.117 0.116 0.000 1.292 39 I CA -1.325 59.958 61.300 -0.028 0.000 1.050 39 I CB 1.222 39.066 38.000 -0.260 0.000 1.301 39 I HN 0.022 nan 8.210 nan 0.000 0.425 40 F N 5.492 125.441 119.950 -0.002 0.000 2.620 40 F HA 0.678 5.205 4.527 -0.000 0.000 0.320 40 F C -1.267 174.588 175.800 0.092 0.000 1.069 40 F CA -1.028 57.000 58.000 0.047 0.000 0.953 40 F CB 1.245 40.292 39.000 0.080 0.000 1.322 40 F HN 0.285 nan 8.300 nan 0.000 0.479 41 K N 1.706 122.263 120.400 0.262 0.000 2.182 41 K HA 0.582 4.902 4.320 -0.000 0.000 0.262 41 K C -2.232 174.582 176.600 0.356 0.000 0.957 41 K CA -0.680 55.713 56.287 0.176 0.000 0.842 41 K CB 1.466 34.028 32.500 0.104 0.000 1.099 41 K HN 0.730 nan 8.250 nan 0.000 0.438 42 F N 2.715 122.760 119.950 0.159 0.000 2.557 42 F HA 0.348 4.875 4.527 -0.000 0.000 0.316 42 F C -1.158 174.721 175.800 0.131 0.000 1.141 42 F CA -0.505 57.631 58.000 0.226 0.000 0.922 42 F CB 1.751 40.977 39.000 0.376 0.000 1.194 42 F HN 0.519 nan 8.300 nan 0.000 0.443 43 E N 4.210 124.329 120.200 -0.134 0.000 2.199 43 E HA 0.775 5.125 4.350 -0.000 0.000 0.269 43 E C -1.252 175.327 176.600 -0.035 0.000 0.899 43 E CA -1.141 55.245 56.400 -0.022 0.000 0.772 43 E CB 2.152 31.822 29.700 -0.050 0.000 1.155 43 E HN 0.716 nan 8.360 nan 0.000 0.408 44 A N 3.162 126.032 122.820 0.082 0.000 2.435 44 A HA 0.707 5.026 4.320 -0.000 0.000 0.296 44 A C -2.634 174.983 177.584 0.056 0.000 1.147 44 A CA -1.817 50.273 52.037 0.088 0.000 0.775 44 A CB 0.952 20.049 19.000 0.162 0.000 1.340 44 A HN 0.343 nan 8.150 nan 0.000 0.427 45 P HA 0.290 nan 4.420 nan 0.000 0.261 45 P C 0.714 178.033 177.300 0.032 0.000 1.203 45 P CA 1.860 64.980 63.100 0.034 0.000 0.767 45 P CB 0.314 32.033 31.700 0.033 0.000 0.785 46 G N 2.925 111.739 108.800 0.023 0.000 2.295 46 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.287 46 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.287 46 G C -0.079 174.831 174.900 0.017 0.000 1.055 46 G CA 0.183 45.293 45.100 0.017 0.000 0.922 46 G HN 0.892 nan 8.290 nan 0.000 0.503 47 R N -2.666 117.851 120.500 0.028 0.000 2.725 47 R HA 0.653 4.993 4.340 -0.000 0.000 0.254 47 R C -2.046 174.283 176.300 0.048 0.000 1.076 47 R CA -0.718 55.398 56.100 0.028 0.000 0.940 47 R CB 1.199 31.510 30.300 0.019 0.000 1.260 47 R HN 0.856 nan 8.270 nan 0.000 0.466 48 V N 1.339 121.272 119.914 0.032 0.000 2.823 48 V HA 0.843 4.963 4.120 -0.000 0.000 0.312 48 V C -1.096 174.999 176.094 0.002 0.000 1.072 48 V CA 0.258 62.582 62.300 0.040 0.000 0.937 48 V CB 2.228 34.065 31.823 0.024 0.000 1.013 48 V HN 1.079 nan 8.190 nan 0.000 0.430 49 T N 5.038 119.589 114.554 -0.005 0.000 2.853 49 T HA 0.666 5.015 4.350 -0.000 0.000 0.311 49 T C -1.235 173.347 174.700 -0.196 0.000 1.307 49 T CA -0.811 61.202 62.100 -0.145 0.000 1.019 49 T CB 1.897 70.615 68.868 -0.250 0.000 1.264 49 T HN 0.787 nan 8.240 nan 0.000 0.497 50 R N 1.563 121.861 120.500 -0.336 0.000 2.480 50 R HA 0.507 4.847 4.340 -0.000 0.000 0.306 50 R C -1.436 174.535 176.300 -0.550 0.000 0.958 50 R CA -0.650 55.240 56.100 -0.351 0.000 0.861 50 R CB 1.534 31.685 30.300 -0.249 0.000 1.171 50 R HN 0.604 nan 8.270 nan 0.000 0.445 51 Y N 3.654 123.612 120.300 -0.569 0.000 2.404 51 Y HA 0.278 4.828 4.550 -0.000 0.000 0.344 51 Y C 0.050 175.672 175.900 -0.464 0.000 0.970 51 Y CA -0.634 57.097 58.100 -0.616 0.000 1.180 51 Y CB 0.905 38.786 38.460 -0.965 0.000 1.138 51 Y HN 0.247 nan 8.280 nan 0.000 0.510 52 L N 3.066 124.160 121.223 -0.215 0.000 2.276 52 L HA 0.355 4.695 4.340 -0.000 0.000 0.286 52 L C 0.496 177.306 176.870 -0.101 0.000 1.061 52 L CA -0.163 54.576 54.840 -0.168 0.000 0.807 52 L CB 1.225 43.156 42.059 -0.213 0.000 1.177 52 L HN 0.632 nan 8.230 nan 0.000 0.429 53 S N 0.119 115.792 115.700 -0.045 0.000 2.603 53 S HA 0.069 4.539 4.470 -0.000 0.000 0.232 53 S C 0.444 175.048 174.600 0.007 0.000 1.016 53 S CA -0.362 57.831 58.200 -0.012 0.000 0.976 53 S CB 0.541 63.762 63.200 0.034 0.000 0.921 53 S HN 0.773 nan 8.310 nan 0.000 0.516 54 S N 0.560 116.261 115.700 0.002 0.000 2.568 54 S HA 0.425 4.895 4.470 -0.000 0.000 0.302 54 S C 0.657 175.274 174.600 0.028 0.000 1.082 54 S CA -0.569 57.648 58.200 0.027 0.000 1.009 54 S CB 1.676 64.894 63.200 0.029 0.000 1.069 54 S HN 0.043 nan 8.310 nan 0.000 0.500 55 Q N 1.421 121.252 119.800 0.052 0.000 2.167 55 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 55 Q C 2.056 178.080 176.000 0.040 0.000 0.970 55 Q CA 1.740 57.578 55.803 0.058 0.000 0.855 55 Q CB -0.143 28.632 28.738 0.062 0.000 0.911 55 Q HN 0.930 nan 8.270 nan 0.000 0.438 56 R N -0.438 120.081 120.500 0.032 0.000 2.092 56 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 56 R C 2.385 178.699 176.300 0.024 0.000 1.119 56 R CA 1.305 57.424 56.100 0.032 0.000 0.970 56 R CB -0.789 29.532 30.300 0.035 0.000 0.864 56 R HN 0.170 nan 8.270 nan 0.000 0.440 57 L N 0.533 121.762 121.223 0.009 0.000 2.093 57 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 57 L C 2.532 179.364 176.870 -0.064 0.000 1.085 57 L CA 1.125 55.952 54.840 -0.021 0.000 0.755 57 L CB -0.506 41.523 42.059 -0.049 0.000 0.904 57 L HN 0.147 nan 8.230 nan 0.000 0.435 58 I N 0.764 121.297 120.570 -0.062 0.000 2.394 58 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 58 I C 2.588 178.651 176.117 -0.090 0.000 1.136 58 I CA 1.329 62.573 61.300 -0.093 0.000 1.425 58 I CB -0.259 37.705 38.000 -0.059 0.000 1.079 58 I HN 0.360 nan 8.210 nan 0.000 0.425 59 K N 0.874 121.252 120.400 -0.036 0.000 2.211 59 K HA -0.165 4.155 4.320 -0.000 0.000 0.203 59 K C 1.850 178.403 176.600 -0.078 0.000 1.050 59 K CA 1.254 57.505 56.287 -0.060 0.000 0.945 59 K CB -0.235 32.320 32.500 0.092 0.000 0.732 59 K HN 0.313 nan 8.250 nan 0.000 0.451 60 E N 0.999 121.189 120.200 -0.016 0.000 2.051 60 E HA -0.069 4.281 4.350 -0.000 0.000 0.189 60 E C 2.079 178.741 176.600 0.104 0.000 0.979 60 E CA 0.751 57.186 56.400 0.059 0.000 0.803 60 E CB -0.114 29.640 29.700 0.089 0.000 0.761 60 E HN 0.421 nan 8.360 nan 0.000 0.451 61 A N 0.421 123.189 122.820 -0.086 0.000 2.009 61 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 61 A C 2.180 179.722 177.584 -0.071 0.000 1.175 61 A CA 1.569 53.416 52.037 -0.316 0.000 0.651 61 A CB -0.912 17.842 19.000 -0.410 0.000 0.815 61 A HN 0.480 nan 8.150 nan 0.000 0.459 62 C N 0.224 119.469 119.300 -0.091 0.000 2.576 62 C HA 0.111 4.571 4.460 -0.000 0.000 0.267 62 C C 0.804 175.790 174.990 -0.007 0.000 1.364 62 C CA -0.378 58.577 59.018 -0.106 0.000 1.723 62 C CB -1.520 25.962 27.740 -0.431 0.000 1.778 62 C HN 0.556 nan 8.230 nan 0.000 0.572 63 D N 1.378 121.831 120.400 0.087 0.000 2.344 63 D HA 0.024 4.664 4.640 -0.000 0.000 0.253 63 D C 0.947 177.272 176.300 0.043 0.000 1.255 63 D CA 0.273 54.315 54.000 0.069 0.000 0.894 63 D CB 0.383 41.220 40.800 0.062 0.000 1.067 63 D HN 0.419 nan 8.370 nan 0.000 0.492 64 E N 1.291 121.503 120.200 0.020 0.000 2.472 64 E HA -0.103 4.247 4.350 -0.000 0.000 0.200 64 E C 1.305 177.866 176.600 -0.066 0.000 1.046 64 E CA 0.443 56.835 56.400 -0.013 0.000 0.871 64 E CB 0.300 30.000 29.700 0.001 0.000 0.806 64 E HN 0.489 nan 8.360 nan 0.000 0.533 65 S N -0.744 114.907 115.700 -0.082 0.000 2.524 65 S HA 0.136 4.606 4.470 -0.000 0.000 0.215 65 S C 1.551 176.032 174.600 -0.199 0.000 0.986 65 S CA -0.407 57.724 58.200 -0.114 0.000 0.911 65 S CB 0.370 63.523 63.200 -0.078 0.000 0.805 65 S HN 0.113 nan 8.310 nan 0.000 0.501 66 R N -0.388 119.935 120.500 -0.295 0.000 2.121 66 R HA 0.386 4.726 4.340 -0.000 0.000 0.206 66 R C -0.622 175.171 176.300 -0.844 0.000 1.094 66 R CA 0.476 56.216 56.100 -0.599 0.000 1.055 66 R CB 0.088 29.919 30.300 -0.783 0.000 0.964 66 R HN 0.385 nan 8.270 nan 0.000 0.473 67 F N 0.500 120.353 119.950 -0.162 0.000 2.546 67 F HA 0.381 4.908 4.527 -0.000 0.000 0.320 67 F C -0.147 175.478 175.800 -0.292 0.000 1.076 67 F CA -1.426 56.425 58.000 -0.247 0.000 0.928 67 F CB 1.420 40.313 39.000 -0.178 0.000 1.189 67 F HN -0.210 nan 8.300 nan 0.000 0.465 68 D N 0.806 121.018 120.400 -0.313 0.000 2.423 68 D HA 0.264 4.903 4.640 -0.000 0.000 0.235 68 D C -1.054 175.149 176.300 -0.161 0.000 1.011 68 D CA -0.885 52.927 54.000 -0.313 0.000 0.963 68 D CB 1.746 42.246 40.800 -0.499 0.000 1.349 68 D HN 0.510 nan 8.370 nan 0.000 0.508 69 K N 1.473 121.864 120.400 -0.014 0.000 2.401 69 K HA 0.183 4.503 4.320 -0.000 0.000 0.278 69 K C -0.573 176.166 176.600 0.232 0.000 1.018 69 K CA -0.265 56.053 56.287 0.052 0.000 0.981 69 K CB 0.388 32.845 32.500 -0.071 0.000 0.933 69 K HN 0.306 nan 8.250 nan 0.000 0.477 70 N N 3.621 122.424 118.700 0.173 0.000 2.361 70 N HA 0.247 4.987 4.740 -0.000 0.000 0.302 70 N C -1.271 174.127 175.510 -0.187 0.000 1.074 70 N CA -0.733 52.428 53.050 0.185 0.000 0.850 70 N CB 0.922 39.545 38.487 0.226 0.000 1.228 70 N HN 0.554 nan 8.380 nan 0.000 0.491 71 L N 2.703 123.631 121.223 -0.491 0.000 2.385 71 L HA 0.250 4.590 4.340 -0.000 0.000 0.285 71 L C 0.750 177.442 176.870 -0.297 0.000 1.125 71 L CA -0.624 53.885 54.840 -0.552 0.000 0.890 71 L CB -0.334 41.169 42.059 -0.927 0.000 1.251 71 L HN 0.634 nan 8.230 nan 0.000 0.445 72 S N 1.089 116.652 115.700 -0.227 0.000 2.580 72 S HA -0.074 4.396 4.470 -0.000 0.000 0.261 72 S C 0.947 175.421 174.600 -0.209 0.000 1.366 72 S CA -0.303 57.794 58.200 -0.172 0.000 0.996 72 S CB 1.161 64.280 63.200 -0.134 0.000 0.902 72 S HN 0.619 nan 8.310 nan 0.000 0.566 73 Q N 1.430 121.111 119.800 -0.198 0.000 2.124 73 Q HA -0.038 4.301 4.340 -0.000 0.000 0.202 73 Q C 2.287 178.082 176.000 -0.341 0.000 0.977 73 Q CA 2.305 57.916 55.803 -0.321 0.000 0.850 73 Q CB -1.205 27.388 28.738 -0.241 0.000 0.901 73 Q HN 0.926 nan 8.270 nan 0.000 0.429 74 A N 0.159 122.909 122.820 -0.117 0.000 1.908 74 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 74 A C 2.063 179.628 177.584 -0.031 0.000 1.181 74 A CA 1.576 53.623 52.037 0.017 0.000 0.627 74 A CB -0.806 18.227 19.000 0.056 0.000 0.818 74 A HN 0.459 nan 8.150 nan 0.000 0.445 75 L N -1.206 119.940 121.223 -0.128 0.000 2.141 75 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 75 L C 2.502 179.238 176.870 -0.224 0.000 1.094 75 L CA 1.609 56.341 54.840 -0.181 0.000 0.763 75 L CB -0.577 41.297 42.059 -0.310 0.000 0.908 75 L HN 0.395 nan 8.230 nan 0.000 0.437 76 K N -0.227 120.005 120.400 -0.279 0.000 2.057 76 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 76 K C 2.018 178.501 176.600 -0.195 0.000 1.049 76 K CA 1.366 57.478 56.287 -0.292 0.000 0.931 76 K CB -0.164 32.112 32.500 -0.373 0.000 0.714 76 K HN 0.028 nan 8.250 nan 0.000 0.440 77 F N 0.593 120.480 119.950 -0.105 0.000 2.102 77 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 77 F C 2.236 177.960 175.800 -0.126 0.000 1.105 77 F CA 0.719 58.670 58.000 -0.082 0.000 1.239 77 F CB -0.950 38.011 39.000 -0.065 0.000 0.991 77 F HN -0.237 nan 8.300 nan 0.000 0.474 78 V N 0.220 120.118 119.914 -0.027 0.000 2.568 78 V HA -0.282 3.838 4.120 -0.000 0.000 0.253 78 V C 2.467 178.226 176.094 -0.558 0.000 1.072 78 V CA 1.900 63.972 62.300 -0.381 0.000 1.084 78 V CB -0.773 30.942 31.823 -0.181 0.000 0.676 78 V HN 0.267 nan 8.190 nan 0.000 0.469 79 R N 0.146 120.472 120.500 -0.290 0.000 2.237 79 R HA -0.151 4.189 4.340 -0.000 0.000 0.219 79 R C 1.738 177.926 176.300 -0.187 0.000 1.080 79 R CA 1.232 57.176 56.100 -0.260 0.000 0.995 79 R CB -0.288 29.878 30.300 -0.222 0.000 0.875 79 R HN 0.474 nan 8.270 nan 0.000 0.462 80 D N 0.069 120.412 120.400 -0.095 0.000 2.221 80 D HA -0.193 4.447 4.640 -0.000 0.000 0.204 80 D C 1.267 177.652 176.300 0.141 0.000 0.982 80 D CA 1.515 55.565 54.000 0.084 0.000 0.857 80 D CB -0.009 40.970 40.800 0.298 0.000 0.934 80 D HN 0.549 nan 8.370 nan 0.000 0.475 81 F N -2.069 117.941 119.950 0.100 0.000 2.711 81 F HA 0.539 5.066 4.527 -0.000 0.000 0.296 81 F C 1.881 177.776 175.800 0.159 0.000 1.096 81 F CA -0.177 57.880 58.000 0.095 0.000 1.280 81 F CB -0.174 38.809 39.000 -0.027 0.000 1.060 81 F HN -0.133 nan 8.300 nan 0.000 0.608 82 A N 1.274 124.069 122.820 -0.042 0.000 2.169 82 A HA 0.484 4.804 4.320 -0.000 0.000 0.212 82 A C 1.933 179.352 177.584 -0.276 0.000 1.153 82 A CA 0.826 52.875 52.037 0.019 0.000 0.756 82 A CB -1.411 17.561 19.000 -0.048 0.000 0.813 82 A HN 0.812 nan 8.150 nan 0.000 0.471 83 G N 1.081 109.513 108.800 -0.612 0.000 2.594 83 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.297 83 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.297 83 G C 0.182 174.720 174.900 -0.603 0.000 1.273 83 G CA 0.552 44.973 45.100 -1.132 0.000 0.974 83 G HN 0.962 nan 8.290 nan 0.000 0.552 84 D N 1.578 121.671 120.400 -0.512 0.000 2.663 84 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 84 D C 1.188 177.462 176.300 -0.043 0.000 1.218 84 D CA 0.818 54.716 54.000 -0.170 0.000 0.846 84 D CB -0.679 40.093 40.800 -0.047 0.000 1.014 84 D HN 0.835 nan 8.370 nan 0.000 0.476 85 G N -0.215 108.552 108.800 -0.055 0.000 2.712 85 G HA2 0.187 4.147 3.960 -0.000 0.000 0.258 85 G HA3 0.187 4.147 3.960 -0.000 0.000 0.258 85 G C 0.961 175.913 174.900 0.086 0.000 1.241 85 G CA -0.681 44.454 45.100 0.059 0.000 0.923 85 G HN 0.294 nan 8.290 nan 0.000 0.548 86 L N -1.012 120.272 121.223 0.103 0.000 2.217 86 L HA 0.052 4.391 4.340 -0.000 0.000 0.211 86 L C 2.281 179.294 176.870 0.238 0.000 1.107 86 L CA 0.549 55.509 54.840 0.201 0.000 0.783 86 L CB -0.219 41.919 42.059 0.133 0.000 0.919 86 L HN 0.511 nan 8.230 nan 0.000 0.442 87 F N 0.426 120.362 119.950 -0.024 0.000 2.615 87 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 87 F C 1.881 177.619 175.800 -0.104 0.000 1.124 87 F CA 1.215 59.182 58.000 -0.055 0.000 1.451 87 F CB 0.134 39.083 39.000 -0.085 0.000 1.103 87 F HN 0.032 nan 8.300 nan 0.000 0.569 88 T N -2.509 111.975 114.554 -0.116 0.000 3.288 88 T HA 0.303 4.653 4.350 -0.000 0.000 0.293 88 T C 0.173 174.690 174.700 -0.303 0.000 1.008 88 T CA 0.123 62.064 62.100 -0.265 0.000 0.929 88 T CB -0.701 68.053 68.868 -0.189 0.000 1.152 88 T HN 0.097 nan 8.240 nan 0.000 0.517 89 S N -0.015 115.552 115.700 -0.222 0.000 2.578 89 S HA 0.713 5.183 4.470 -0.000 0.000 0.301 89 S C -0.614 173.804 174.600 -0.303 0.000 1.091 89 S CA -1.166 56.908 58.200 -0.209 0.000 1.032 89 S CB 0.793 64.005 63.200 0.021 0.000 1.064 89 S HN 0.469 nan 8.310 nan 0.000 0.508 90 W N 1.271 122.463 121.300 -0.180 0.000 2.181 90 W HA 0.245 4.905 4.660 -0.000 0.000 0.335 90 W C 1.674 178.024 176.519 -0.282 0.000 1.310 90 W CA -0.221 56.985 57.345 -0.232 0.000 1.226 90 W CB 0.032 29.290 29.460 -0.336 0.000 1.155 90 W HN 0.756 nan 8.180 nan 0.000 0.565 91 T N 0.829 115.339 114.554 -0.073 0.000 2.737 91 T HA -0.295 4.055 4.350 -0.000 0.000 0.269 91 T C 1.433 176.117 174.700 -0.027 0.000 1.040 91 T CA 1.963 63.838 62.100 -0.375 0.000 1.142 91 T CB -0.373 68.297 68.868 -0.330 0.000 0.861 91 T HN 0.535 nan 8.240 nan 0.000 0.456 92 H N 0.415 119.509 119.070 0.039 0.000 2.526 92 H HA 0.375 4.931 4.556 -0.000 0.000 0.274 92 H C 0.460 175.858 175.328 0.117 0.000 0.999 92 H CA -0.128 55.966 56.048 0.076 0.000 1.157 92 H CB -0.199 29.581 29.762 0.031 0.000 1.407 92 H HN 0.392 nan 8.280 nan 0.000 0.568 93 E N 2.025 122.196 120.200 -0.048 0.000 2.316 93 E HA 0.055 4.405 4.350 -0.000 0.000 0.275 93 E C 0.538 177.222 176.600 0.140 0.000 1.029 93 E CA -0.363 56.050 56.400 0.022 0.000 0.871 93 E CB 1.016 30.755 29.700 0.064 0.000 1.022 93 E HN 0.232 nan 8.360 nan 0.000 0.418 94 K N 2.761 123.230 120.400 0.115 0.000 2.059 94 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 94 K C 1.349 178.040 176.600 0.150 0.000 1.050 94 K CA 1.669 58.035 56.287 0.131 0.000 0.927 94 K CB -0.051 32.506 32.500 0.095 0.000 0.714 94 K HN 0.428 nan 8.250 nan 0.000 0.447 95 N N -0.311 118.473 118.700 0.140 0.000 2.520 95 N HA -0.151 4.589 4.740 -0.000 0.000 0.185 95 N C 1.068 176.677 175.510 0.165 0.000 1.068 95 N CA 0.630 53.759 53.050 0.132 0.000 0.911 95 N CB -0.129 38.428 38.487 0.117 0.000 0.961 95 N HN 0.350 nan 8.380 nan 0.000 0.446 96 W N 1.799 123.135 121.300 0.060 0.000 2.407 96 W HA -0.096 4.564 4.660 -0.000 0.000 0.305 96 W C 2.310 178.888 176.519 0.098 0.000 1.196 96 W CA 1.290 58.675 57.345 0.066 0.000 1.311 96 W CB -0.131 29.353 29.460 0.041 0.000 1.135 96 W HN -0.130 nan 8.180 nan 0.000 0.514 97 K N 1.148 121.665 120.400 0.194 0.000 2.031 97 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 97 K C 2.133 178.693 176.600 -0.066 0.000 1.049 97 K CA 2.038 58.331 56.287 0.010 0.000 0.939 97 K CB -0.710 31.934 32.500 0.241 0.000 0.717 97 K HN 0.039 nan 8.250 nan 0.000 0.438 98 K N -0.397 120.013 120.400 0.017 0.000 2.089 98 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 98 K C 1.807 178.396 176.600 -0.018 0.000 1.048 98 K CA 1.706 58.002 56.287 0.016 0.000 0.926 98 K CB -0.278 32.251 32.500 0.048 0.000 0.714 98 K HN 0.257 nan 8.250 nan 0.000 0.448 99 A N 0.135 122.922 122.820 -0.055 0.000 1.935 99 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 99 A C 2.045 179.571 177.584 -0.097 0.000 1.178 99 A CA 1.070 53.081 52.037 -0.044 0.000 0.640 99 A CB -0.789 18.208 19.000 -0.004 0.000 0.825 99 A HN 0.534 nan 8.150 nan 0.000 0.447 100 H N 0.461 119.283 119.070 -0.414 0.000 2.353 100 H HA -0.164 4.392 4.556 -0.000 0.000 0.298 100 H C 1.632 176.848 175.328 -0.186 0.000 1.103 100 H CA 2.019 57.812 56.048 -0.425 0.000 1.293 100 H CB 0.055 29.293 29.762 -0.873 0.000 1.372 100 H HN 0.397 nan 8.280 nan 0.000 0.501 101 N N 0.553 119.185 118.700 -0.114 0.000 2.148 101 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 101 N C 2.398 177.862 175.510 -0.076 0.000 1.031 101 N CA 0.905 53.905 53.050 -0.084 0.000 0.848 101 N CB -0.379 38.102 38.487 -0.008 0.000 1.005 101 N HN 0.359 nan 8.380 nan 0.000 0.427 102 I N 1.147 121.693 120.570 -0.040 0.000 2.118 102 I HA -0.271 3.899 4.170 -0.000 0.000 0.241 102 I C 1.934 178.037 176.117 -0.023 0.000 1.070 102 I CA 1.199 62.488 61.300 -0.019 0.000 1.327 102 I CB -0.171 37.838 38.000 0.016 0.000 1.034 102 I HN 0.063 nan 8.210 nan 0.000 0.405 103 L N -0.573 120.648 121.223 -0.003 0.000 2.418 103 L HA -0.112 4.228 4.340 -0.000 0.000 0.218 103 L C 2.244 179.155 176.870 0.068 0.000 1.125 103 L CA 0.183 55.057 54.840 0.057 0.000 0.835 103 L CB -0.173 41.987 42.059 0.169 0.000 0.953 103 L HN 0.260 nan 8.230 nan 0.000 0.454 104 L N 0.723 121.922 121.223 -0.040 0.000 2.083 104 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 104 L C -0.428 176.464 176.870 0.036 0.000 1.083 104 L CA 1.758 56.592 54.840 -0.011 0.000 0.752 104 L CB -1.232 40.703 42.059 -0.205 0.000 0.899 104 L HN 0.084 nan 8.230 nan 0.000 0.433 105 P HA -0.176 nan 4.420 nan 0.000 0.216 105 P C 1.681 178.895 177.300 -0.144 0.000 1.154 105 P CA 1.789 64.819 63.100 -0.116 0.000 0.865 105 P CB -0.115 31.463 31.700 -0.203 0.000 0.789 106 S N -1.991 113.599 115.700 -0.182 0.000 2.537 106 S HA -0.063 4.406 4.470 -0.000 0.000 0.240 106 S C 0.846 175.133 174.600 -0.523 0.000 0.981 106 S CA 0.859 58.887 58.200 -0.287 0.000 0.948 106 S CB -0.949 62.085 63.200 -0.278 0.000 0.759 106 S HN 0.184 nan 8.310 nan 0.000 0.531 107 F N 1.500 121.487 119.950 0.063 0.000 2.654 107 F HA 0.261 4.787 4.527 -0.000 0.000 0.303 107 F C 1.297 177.129 175.800 0.053 0.000 1.099 107 F CA -0.659 57.411 58.000 0.116 0.000 1.270 107 F CB -0.264 38.805 39.000 0.113 0.000 1.024 107 F HN 0.023 nan 8.300 nan 0.000 0.548 108 S N -0.329 115.411 115.700 0.067 0.000 2.572 108 S HA -0.080 4.390 4.470 -0.000 0.000 0.267 108 S C 1.392 175.984 174.600 -0.014 0.000 1.361 108 S CA -0.362 57.843 58.200 0.009 0.000 1.009 108 S CB 0.945 64.112 63.200 -0.056 0.000 0.888 108 S HN 0.303 nan 8.310 nan 0.000 0.553 109 Q N 0.421 120.208 119.800 -0.022 0.000 2.124 109 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 109 Q C 2.325 178.250 176.000 -0.124 0.000 0.977 109 Q CA 1.934 57.709 55.803 -0.046 0.000 0.850 109 Q CB -0.455 28.259 28.738 -0.039 0.000 0.901 109 Q HN 0.856 nan 8.270 nan 0.000 0.429 110 Q N -1.012 118.707 119.800 -0.134 0.000 2.061 110 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 110 Q C 1.654 177.518 176.000 -0.227 0.000 0.984 110 Q CA 1.809 57.509 55.803 -0.171 0.000 0.846 110 Q CB -0.172 28.480 28.738 -0.143 0.000 0.902 110 Q HN 0.461 nan 8.270 nan 0.000 0.421 111 A N -0.121 122.539 122.820 -0.266 0.000 2.067 111 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 111 A C 1.952 179.112 177.584 -0.706 0.000 1.156 111 A CA 0.565 52.324 52.037 -0.464 0.000 0.683 111 A CB -0.209 18.521 19.000 -0.450 0.000 0.808 111 A HN 0.321 nan 8.150 nan 0.000 0.455 112 M N -0.108 119.283 119.600 -0.348 0.000 2.175 112 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 112 M C 1.824 178.097 176.300 -0.046 0.000 1.063 112 M CA 1.449 56.673 55.300 -0.126 0.000 1.119 112 M CB -0.881 31.742 32.600 0.039 0.000 1.377 112 M HN 0.395 nan 8.290 nan 0.000 0.415 113 K N -0.206 120.101 120.400 -0.155 0.000 2.147 113 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 113 K C 2.094 178.667 176.600 -0.046 0.000 1.049 113 K CA 1.238 57.429 56.287 -0.160 0.000 0.936 113 K CB -0.424 31.844 32.500 -0.387 0.000 0.722 113 K HN 0.446 nan 8.250 nan 0.000 0.446 114 G N 0.577 109.285 108.800 -0.154 0.000 2.421 114 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.216 114 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.216 114 G C 1.064 175.974 174.900 0.017 0.000 1.171 114 G CA 0.739 45.764 45.100 -0.125 0.000 0.775 114 G HN 0.207 nan 8.290 nan 0.000 0.543 115 Y N 0.373 120.714 120.300 0.070 0.000 2.403 115 Y HA -0.073 4.477 4.550 -0.000 0.000 0.291 115 Y C 2.433 178.394 175.900 0.102 0.000 1.143 115 Y CA 0.354 58.498 58.100 0.073 0.000 1.257 115 Y CB -1.056 37.441 38.460 0.063 0.000 0.984 115 Y HN 0.393 nan 8.280 nan 0.000 0.550 116 H N 0.148 119.346 119.070 0.214 0.000 2.390 116 H HA -0.191 4.365 4.556 -0.000 0.000 0.298 116 H C 2.135 177.539 175.328 0.126 0.000 1.106 116 H CA 1.469 57.645 56.048 0.215 0.000 1.297 116 H CB 0.037 29.983 29.762 0.308 0.000 1.375 116 H HN 0.347 nan 8.280 nan 0.000 0.509 117 A N 0.894 123.802 122.820 0.147 0.000 1.902 117 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 117 A C 2.642 180.231 177.584 0.008 0.000 1.181 117 A CA 1.627 53.706 52.037 0.070 0.000 0.623 117 A CB -0.664 18.394 19.000 0.097 0.000 0.818 117 A HN 0.452 nan 8.150 nan 0.000 0.443 118 M N -1.054 118.570 119.600 0.040 0.000 2.374 118 M HA -0.034 4.446 4.480 -0.000 0.000 0.264 118 M C 2.175 178.473 176.300 -0.004 0.000 1.067 118 M CA 1.071 56.389 55.300 0.031 0.000 1.103 118 M CB -0.360 32.281 32.600 0.067 0.000 1.402 118 M HN 0.403 nan 8.290 nan 0.000 0.444 119 M N -0.738 118.828 119.600 -0.057 0.000 2.200 119 M HA -0.137 4.343 4.480 -0.000 0.000 0.265 119 M C 2.120 178.339 176.300 -0.135 0.000 1.066 119 M CA 1.120 56.354 55.300 -0.110 0.000 1.127 119 M CB -0.330 32.154 32.600 -0.194 0.000 1.379 119 M HN 0.101 nan 8.290 nan 0.000 0.420 120 V N 0.687 120.489 119.914 -0.187 0.000 2.407 120 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 120 V C 2.173 178.220 176.094 -0.078 0.000 1.055 120 V CA 2.004 64.216 62.300 -0.147 0.000 1.049 120 V CB -0.810 30.927 31.823 -0.143 0.000 0.662 120 V HN 0.517 nan 8.190 nan 0.000 0.455 121 D N 0.546 120.918 120.400 -0.047 0.000 2.106 121 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 121 D C 2.004 178.292 176.300 -0.019 0.000 0.997 121 D CA 1.724 55.712 54.000 -0.021 0.000 0.834 121 D CB -0.023 40.780 40.800 0.005 0.000 0.956 121 D HN 0.318 nan 8.370 nan 0.000 0.448 122 I N 1.268 121.840 120.570 0.004 0.000 2.439 122 I HA -0.107 4.063 4.170 -0.000 0.000 0.251 122 I C 2.654 178.751 176.117 -0.033 0.000 1.139 122 I CA 0.717 62.044 61.300 0.044 0.000 1.438 122 I CB -1.707 36.361 38.000 0.113 0.000 1.085 122 I HN -0.016 nan 8.210 nan 0.000 0.427 123 A N 0.550 123.328 122.820 -0.070 0.000 1.969 123 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 123 A C 2.525 179.998 177.584 -0.185 0.000 1.169 123 A CA 1.193 53.158 52.037 -0.121 0.000 0.635 123 A CB -0.775 18.163 19.000 -0.102 0.000 0.810 123 A HN 0.235 nan 8.150 nan 0.000 0.445 124 V N 0.033 119.852 119.914 -0.158 0.000 2.515 124 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 124 V C 2.536 178.478 176.094 -0.253 0.000 1.058 124 V CA 2.031 64.224 62.300 -0.179 0.000 1.064 124 V CB -0.753 30.998 31.823 -0.119 0.000 0.675 124 V HN 0.634 nan 8.190 nan 0.000 0.461 125 Q N -0.772 118.852 119.800 -0.293 0.000 2.167 125 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 125 Q C 2.240 177.742 176.000 -0.830 0.000 0.970 125 Q CA 1.511 57.032 55.803 -0.469 0.000 0.855 125 Q CB -0.220 28.285 28.738 -0.388 0.000 0.911 125 Q HN 0.551 nan 8.270 nan 0.000 0.438 126 L N 0.078 120.811 121.223 -0.816 0.000 2.005 126 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 126 L C 2.109 178.531 176.870 -0.746 0.000 1.072 126 L CA 1.442 55.736 54.840 -0.910 0.000 0.744 126 L CB -0.470 41.219 42.059 -0.617 0.000 0.895 126 L HN -0.045 nan 8.230 nan 0.000 0.433 127 V N -0.009 119.623 119.914 -0.469 0.000 2.295 127 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 127 V C 2.598 178.630 176.094 -0.105 0.000 1.049 127 V CA 2.112 64.283 62.300 -0.215 0.000 1.024 127 V CB -0.990 30.705 31.823 -0.214 0.000 0.648 127 V HN 0.570 nan 8.190 nan 0.000 0.447 128 Q N 0.193 119.873 119.800 -0.199 0.000 2.061 128 Q HA -0.293 4.047 4.340 -0.000 0.000 0.204 128 Q C 2.381 178.322 176.000 -0.097 0.000 0.984 128 Q CA 1.877 57.600 55.803 -0.133 0.000 0.846 128 Q CB -0.377 28.262 28.738 -0.165 0.000 0.902 128 Q HN 0.625 nan 8.270 nan 0.000 0.421 129 K N 0.218 120.500 120.400 -0.197 0.000 2.034 129 K HA -0.213 4.107 4.320 -0.000 0.000 0.214 129 K C 1.773 178.460 176.600 0.145 0.000 1.051 129 K CA 1.797 58.039 56.287 -0.075 0.000 0.931 129 K CB -0.085 32.333 32.500 -0.138 0.000 0.715 129 K HN 0.229 nan 8.250 nan 0.000 0.446 130 W N 1.636 122.878 121.300 -0.096 0.000 2.418 130 W HA -0.045 4.615 4.660 -0.000 0.000 0.292 130 W C 2.031 178.576 176.519 0.043 0.000 1.213 130 W CA 0.330 57.611 57.345 -0.107 0.000 1.283 130 W CB -0.758 28.491 29.460 -0.352 0.000 1.119 130 W HN 0.193 nan 8.180 nan 0.000 0.542 131 E N 0.250 120.663 120.200 0.355 0.000 2.171 131 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 131 E C 1.749 178.418 176.600 0.116 0.000 0.997 131 E CA 1.344 57.885 56.400 0.236 0.000 0.810 131 E CB -0.371 29.395 29.700 0.110 0.000 0.738 131 E HN 0.390 nan 8.360 nan 0.000 0.467 132 R N -0.057 120.491 120.500 0.081 0.000 2.334 132 R HA 0.227 4.567 4.340 -0.000 0.000 0.216 132 R C 0.608 176.919 176.300 0.020 0.000 0.905 132 R CA -0.211 55.909 56.100 0.032 0.000 1.064 132 R CB 0.284 30.587 30.300 0.006 0.000 1.046 132 R HN 0.029 nan 8.270 nan 0.000 0.508 133 L N 1.702 122.939 121.223 0.024 0.000 2.439 133 L HA 0.069 4.409 4.340 -0.000 0.000 0.269 133 L C 0.620 177.475 176.870 -0.025 0.000 1.179 133 L CA -0.124 54.706 54.840 -0.018 0.000 0.828 133 L CB 0.235 42.259 42.059 -0.058 0.000 1.106 133 L HN 0.179 nan 8.230 nan 0.000 0.467 134 N N 1.011 119.688 118.700 -0.037 0.000 2.327 134 N HA 0.121 4.861 4.740 -0.000 0.000 0.257 134 N C 0.750 176.232 175.510 -0.047 0.000 1.281 134 N CA 0.162 53.191 53.050 -0.034 0.000 0.942 134 N CB 0.752 39.220 38.487 -0.032 0.000 1.199 134 N HN 0.717 nan 8.380 nan 0.000 0.532 135 A N -0.013 122.783 122.820 -0.039 0.000 1.968 135 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 135 A C 1.689 179.241 177.584 -0.055 0.000 1.169 135 A CA 1.916 53.926 52.037 -0.045 0.000 0.638 135 A CB -1.145 17.835 19.000 -0.032 0.000 0.812 135 A HN 0.831 nan 8.150 nan 0.000 0.446 136 D N -0.127 120.246 120.400 -0.044 0.000 2.352 136 D HA 0.272 4.912 4.640 -0.000 0.000 0.232 136 D C 0.523 176.798 176.300 -0.041 0.000 1.055 136 D CA 0.589 54.567 54.000 -0.036 0.000 0.891 136 D CB -0.204 40.583 40.800 -0.021 0.000 0.897 136 D HN 0.716 nan 8.370 nan 0.000 0.529 137 E N -0.340 119.813 120.200 -0.078 0.000 2.263 137 E HA 0.506 4.855 4.350 -0.000 0.000 0.264 137 E C -0.274 176.238 176.600 -0.147 0.000 0.923 137 E CA -0.794 55.530 56.400 -0.127 0.000 0.802 137 E CB 1.660 31.274 29.700 -0.143 0.000 1.228 137 E HN 0.695 nan 8.360 nan 0.000 0.417 138 H N 0.258 119.214 119.070 -0.190 0.000 2.908 138 H HA 0.559 5.114 4.556 -0.000 0.000 0.350 138 H C -0.814 174.361 175.328 -0.254 0.000 1.217 138 H CA -1.039 54.854 56.048 -0.257 0.000 1.168 138 H CB 0.830 30.465 29.762 -0.211 0.000 1.891 138 H HN 0.318 nan 8.280 nan 0.000 0.566 139 I N 1.137 121.596 120.570 -0.186 0.000 2.412 139 I HA 0.131 4.301 4.170 -0.000 0.000 0.296 139 I C -0.113 175.926 176.117 -0.130 0.000 0.987 139 I CA -0.511 60.605 61.300 -0.307 0.000 1.180 139 I CB 1.731 39.316 38.000 -0.692 0.000 1.340 139 I HN 0.450 nan 8.210 nan 0.000 0.455 140 E N 5.198 125.353 120.200 -0.076 0.000 2.046 140 E HA 0.162 4.512 4.350 -0.000 0.000 0.279 140 E C 0.482 177.046 176.600 -0.060 0.000 0.989 140 E CA -0.314 56.055 56.400 -0.052 0.000 0.798 140 E CB 1.761 31.458 29.700 -0.006 0.000 1.086 140 E HN 0.437 nan 8.360 nan 0.000 0.399 141 V N 5.193 125.015 119.914 -0.153 0.000 2.255 141 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 141 V C -0.987 175.111 176.094 0.007 0.000 1.038 141 V CA 1.503 63.739 62.300 -0.106 0.000 1.008 141 V CB -1.039 30.591 31.823 -0.322 0.000 0.645 141 V HN 0.565 nan 8.190 nan 0.000 0.449 142 P HA -0.093 nan 4.420 nan 0.000 0.218 142 P C 1.363 178.671 177.300 0.013 0.000 1.149 142 P CA 1.124 64.221 63.100 -0.004 0.000 0.817 142 P CB 0.038 31.713 31.700 -0.043 0.000 0.785 143 E N -0.129 120.077 120.200 0.010 0.000 2.058 143 E HA -0.179 4.170 4.350 -0.000 0.000 0.194 143 E C 1.756 178.372 176.600 0.027 0.000 0.997 143 E CA 1.382 57.790 56.400 0.013 0.000 0.801 143 E CB -0.885 28.821 29.700 0.010 0.000 0.746 143 E HN 0.249 nan 8.360 nan 0.000 0.450 144 D N -0.763 119.691 120.400 0.090 0.000 2.183 144 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 144 D C 1.728 178.099 176.300 0.118 0.000 0.969 144 D CA 0.703 54.797 54.000 0.156 0.000 0.842 144 D CB -0.009 41.011 40.800 0.367 0.000 0.957 144 D HN 0.131 nan 8.370 nan 0.000 0.484 145 M N 0.307 119.972 119.600 0.108 0.000 2.175 145 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 145 M C 2.093 178.431 176.300 0.062 0.000 1.063 145 M CA 1.033 56.386 55.300 0.089 0.000 1.119 145 M CB -1.398 31.256 32.600 0.089 0.000 1.377 145 M HN -0.087 nan 8.290 nan 0.000 0.415 146 T N 0.536 115.115 114.554 0.043 0.000 2.788 146 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 146 T C 2.021 176.673 174.700 -0.080 0.000 1.044 146 T CA 1.149 63.277 62.100 0.048 0.000 1.139 146 T CB -0.167 68.733 68.868 0.053 0.000 0.867 146 T HN 0.376 nan 8.240 nan 0.000 0.454 147 R N 0.374 120.769 120.500 -0.174 0.000 2.083 147 R HA -0.040 4.300 4.340 -0.000 0.000 0.237 147 R C 2.508 178.597 176.300 -0.353 0.000 1.137 147 R CA 1.317 57.169 56.100 -0.414 0.000 0.951 147 R CB -0.613 29.229 30.300 -0.763 0.000 0.851 147 R HN 0.352 nan 8.270 nan 0.000 0.434 148 L N 0.829 121.991 121.223 -0.102 0.000 2.056 148 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 148 L C 2.544 179.455 176.870 0.069 0.000 1.078 148 L CA 2.033 56.930 54.840 0.095 0.000 0.749 148 L CB -0.508 41.653 42.059 0.169 0.000 0.901 148 L HN 0.286 nan 8.230 nan 0.000 0.433 149 T N -1.838 112.758 114.554 0.069 0.000 2.746 149 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 149 T C 1.851 176.592 174.700 0.067 0.000 1.039 149 T CA 1.480 63.658 62.100 0.131 0.000 1.142 149 T CB -0.704 68.290 68.868 0.209 0.000 0.866 149 T HN 0.316 nan 8.240 nan 0.000 0.444 150 L N 1.636 122.773 121.223 -0.143 0.000 2.072 150 L HA 0.079 4.419 4.340 -0.000 0.000 0.205 150 L C 1.935 178.701 176.870 -0.174 0.000 1.079 150 L CA 1.923 56.515 54.840 -0.413 0.000 0.752 150 L CB -0.755 40.810 42.059 -0.822 0.000 0.906 150 L HN 0.091 nan 8.230 nan 0.000 0.436 151 D N -1.227 119.134 120.400 -0.065 0.000 2.178 151 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 151 D C 2.049 178.450 176.300 0.168 0.000 0.980 151 D CA 1.607 55.685 54.000 0.129 0.000 0.842 151 D CB -0.098 40.763 40.800 0.101 0.000 0.948 151 D HN 0.367 nan 8.370 nan 0.000 0.472 152 T N 0.465 115.104 114.554 0.141 0.000 2.770 152 T HA -0.105 4.245 4.350 -0.000 0.000 0.263 152 T C 1.919 176.758 174.700 0.232 0.000 1.039 152 T CA 0.408 62.612 62.100 0.174 0.000 1.142 152 T CB -0.234 68.737 68.868 0.172 0.000 0.868 152 T HN 0.067 nan 8.240 nan 0.000 0.435 153 I N 1.937 122.647 120.570 0.233 0.000 2.361 153 I HA -0.007 4.163 4.170 -0.000 0.000 0.251 153 I C 2.373 178.647 176.117 0.262 0.000 1.133 153 I CA 1.069 62.490 61.300 0.203 0.000 1.413 153 I CB -0.921 37.160 38.000 0.134 0.000 1.073 153 I HN 0.243 nan 8.210 nan 0.000 0.424 154 G N 0.273 109.279 108.800 0.342 0.000 2.418 154 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 154 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 154 G C 1.593 176.667 174.900 0.290 0.000 1.158 154 G CA 1.028 46.395 45.100 0.444 0.000 0.771 154 G HN 0.429 nan 8.290 nan 0.000 0.545 155 L N 0.462 121.799 121.223 0.190 0.000 2.023 155 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 155 L C 2.894 179.804 176.870 0.067 0.000 1.073 155 L CA 1.527 56.433 54.840 0.110 0.000 0.745 155 L CB -0.784 41.327 42.059 0.087 0.000 0.900 155 L HN 0.260 nan 8.230 nan 0.000 0.435 156 C N -0.171 119.159 119.300 0.050 0.000 2.432 156 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 156 C C 2.689 177.542 174.990 -0.229 0.000 1.249 156 C CA 0.808 59.793 59.018 -0.055 0.000 1.725 156 C CB -1.891 25.788 27.740 -0.100 0.000 2.028 156 C HN 0.749 nan 8.230 nan 0.000 0.477 157 G N -1.421 107.179 108.800 -0.334 0.000 2.453 157 G HA2 0.061 4.021 3.960 -0.000 0.000 0.215 157 G HA3 0.061 4.021 3.960 -0.000 0.000 0.215 157 G C 0.942 175.188 174.900 -1.090 0.000 1.147 157 G CA 0.575 45.165 45.100 -0.851 0.000 0.802 157 G HN 0.549 nan 8.290 nan 0.000 0.535 158 F N -1.290 118.623 119.950 -0.062 0.000 2.899 158 F HA 0.350 4.877 4.527 -0.000 0.000 0.337 158 F C 0.696 176.487 175.800 -0.015 0.000 1.129 158 F CA -1.059 56.910 58.000 -0.051 0.000 1.128 158 F CB -0.098 38.864 39.000 -0.063 0.000 1.154 158 F HN -0.029 nan 8.300 nan 0.000 0.531 159 N N 1.453 120.218 118.700 0.108 0.000 2.714 159 N HA -0.310 4.430 4.740 -0.000 0.000 0.252 159 N C -1.152 174.424 175.510 0.110 0.000 1.014 159 N CA 0.572 53.669 53.050 0.078 0.000 0.735 159 N CB -1.277 37.231 38.487 0.036 0.000 0.924 159 N HN 0.551 nan 8.380 nan 0.000 0.540 160 Y N -0.094 120.177 120.300 -0.050 0.000 2.425 160 Y HA 0.525 5.075 4.550 -0.000 0.000 0.344 160 Y C -0.199 175.554 175.900 -0.246 0.000 0.969 160 Y CA -1.063 56.930 58.100 -0.180 0.000 1.052 160 Y CB 1.117 39.398 38.460 -0.298 0.000 1.215 160 Y HN 0.037 nan 8.280 nan 0.000 0.451 161 R N 6.276 126.319 120.500 -0.761 0.000 2.215 161 R HA 0.234 4.574 4.340 -0.000 0.000 0.336 161 R C -0.243 175.682 176.300 -0.626 0.000 0.996 161 R CA -0.330 55.475 56.100 -0.492 0.000 0.847 161 R CB 0.533 30.657 30.300 -0.292 0.000 1.127 161 R HN 0.793 nan 8.270 nan 0.000 0.465 162 F N 1.192 121.037 119.950 -0.175 0.000 2.558 162 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 162 F C 0.782 176.584 175.800 0.004 0.000 1.119 162 F CA 0.074 58.022 58.000 -0.086 0.000 1.451 162 F CB 0.091 38.958 39.000 -0.221 0.000 1.091 162 F HN 0.528 nan 8.300 nan 0.000 0.563 163 N N 0.480 119.269 118.700 0.148 0.000 2.714 163 N HA -0.204 4.536 4.740 -0.000 0.000 0.252 163 N C 1.024 176.698 175.510 0.273 0.000 1.014 163 N CA 0.828 54.002 53.050 0.206 0.000 0.735 163 N CB -1.207 37.305 38.487 0.041 0.000 0.924 163 N HN 0.178 nan 8.380 nan 0.000 0.540 164 S N -0.932 114.853 115.700 0.141 0.000 2.419 164 S HA -0.025 4.445 4.470 -0.000 0.000 0.233 164 S C 1.339 175.889 174.600 -0.083 0.000 1.016 164 S CA 0.610 58.804 58.200 -0.010 0.000 0.974 164 S CB -0.079 62.971 63.200 -0.250 0.000 0.786 164 S HN 0.433 nan 8.310 nan 0.000 0.492 165 F N -0.113 119.897 119.950 0.100 0.000 2.748 165 F HA 0.129 4.656 4.527 -0.000 0.000 0.299 165 F C 0.947 176.660 175.800 -0.144 0.000 1.154 165 F CA 0.173 58.148 58.000 -0.042 0.000 1.446 165 F CB -0.429 38.496 39.000 -0.124 0.000 1.112 165 F HN 0.230 nan 8.300 nan 0.000 0.584 166 Y N -0.171 120.213 120.300 0.140 0.000 2.493 166 Y HA 0.261 4.811 4.550 -0.000 0.000 0.275 166 Y C 0.313 176.247 175.900 0.056 0.000 1.183 166 Y CA -0.216 57.937 58.100 0.088 0.000 1.258 166 Y CB -0.155 38.344 38.460 0.065 0.000 1.108 166 Y HN -0.216 nan 8.280 nan 0.000 0.521 167 R N 0.308 120.892 120.500 0.140 0.000 2.628 167 R HA 0.199 4.538 4.340 -0.000 0.000 0.288 167 R C -0.064 176.262 176.300 0.044 0.000 0.980 167 R CA -0.438 55.710 56.100 0.080 0.000 0.891 167 R CB 1.178 31.518 30.300 0.067 0.000 1.188 167 R HN 0.128 nan 8.270 nan 0.000 0.450 168 D N 0.744 121.162 120.400 0.030 0.000 2.367 168 D HA -0.030 4.610 4.640 -0.000 0.000 0.207 168 D C -0.139 176.166 176.300 0.008 0.000 1.034 168 D CA 0.379 54.389 54.000 0.018 0.000 0.861 168 D CB 0.664 41.471 40.800 0.012 0.000 0.943 168 D HN 0.256 nan 8.370 nan 0.000 0.515 169 Q N 1.021 120.825 119.800 0.007 0.000 2.241 169 Q HA 0.454 4.794 4.340 -0.000 0.000 0.262 169 Q C -2.443 173.560 176.000 0.005 0.000 1.014 169 Q CA -1.920 53.884 55.803 0.002 0.000 0.885 169 Q CB 1.016 29.753 28.738 -0.003 0.000 1.311 169 Q HN 0.020 nan 8.270 nan 0.000 0.461 170 P HA 0.019 nan 4.420 nan 0.000 0.271 170 P C -0.313 177.018 177.300 0.051 0.000 1.218 170 P CA -0.050 63.062 63.100 0.020 0.000 0.780 170 P CB 0.386 32.095 31.700 0.015 0.000 0.901 171 H N 4.058 123.113 119.070 -0.025 0.000 2.790 171 H HA 0.025 4.581 4.556 -0.000 0.000 0.358 171 H C -1.388 173.957 175.328 0.028 0.000 1.103 171 H CA -1.121 54.933 56.048 0.009 0.000 1.426 171 H CB 0.401 30.159 29.762 -0.007 0.000 1.424 171 H HN 0.241 nan 8.280 nan 0.000 0.599 172 P HA -0.253 nan 4.420 nan 0.000 0.219 172 P C 1.542 178.959 177.300 0.196 0.000 1.161 172 P CA 1.628 64.779 63.100 0.086 0.000 0.909 172 P CB -0.263 31.432 31.700 -0.008 0.000 0.793 173 F N -0.161 119.938 119.950 0.249 0.000 2.065 173 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 173 F C 2.116 177.895 175.800 -0.035 0.000 1.112 173 F CA 1.424 59.456 58.000 0.053 0.000 1.212 173 F CB -0.567 38.413 39.000 -0.033 0.000 0.975 173 F HN -0.216 nan 8.300 nan 0.000 0.476 174 I N 0.070 120.780 120.570 0.234 0.000 2.248 174 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 174 I C 2.279 178.408 176.117 0.020 0.000 1.107 174 I CA 1.951 63.315 61.300 0.107 0.000 1.373 174 I CB -1.762 36.274 38.000 0.060 0.000 1.055 174 I HN 0.243 nan 8.210 nan 0.000 0.418 175 T N 0.233 114.792 114.554 0.007 0.000 2.812 175 T HA -0.093 4.257 4.350 -0.000 0.000 0.264 175 T C 2.197 176.854 174.700 -0.072 0.000 1.042 175 T CA 1.568 63.654 62.100 -0.024 0.000 1.140 175 T CB -0.060 68.799 68.868 -0.016 0.000 0.870 175 T HN 0.257 nan 8.240 nan 0.000 0.445 176 S N 1.333 116.956 115.700 -0.128 0.000 2.343 176 S HA -0.070 4.400 4.470 -0.000 0.000 0.219 176 S C 2.061 176.496 174.600 -0.275 0.000 1.033 176 S CA 1.303 59.374 58.200 -0.216 0.000 1.014 176 S CB -0.480 62.540 63.200 -0.300 0.000 0.915 176 S HN 0.455 nan 8.310 nan 0.000 0.435 177 M N 1.290 120.684 119.600 -0.343 0.000 2.143 177 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 177 M C 1.778 178.001 176.300 -0.129 0.000 1.071 177 M CA 1.684 56.808 55.300 -0.293 0.000 1.088 177 M CB -0.331 32.160 32.600 -0.182 0.000 1.360 177 M HN 0.193 nan 8.290 nan 0.000 0.404 178 V N 0.098 119.969 119.914 -0.071 0.000 2.488 178 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 178 V C 2.379 178.468 176.094 -0.010 0.000 1.046 178 V CA 1.525 63.813 62.300 -0.020 0.000 1.053 178 V CB -0.765 31.054 31.823 -0.006 0.000 0.679 178 V HN 0.488 nan 8.190 nan 0.000 0.458 179 R N 0.220 120.704 120.500 -0.027 0.000 2.097 179 R HA -0.232 4.108 4.340 -0.000 0.000 0.236 179 R C 2.477 178.807 176.300 0.050 0.000 1.135 179 R CA 1.841 57.941 56.100 0.000 0.000 0.934 179 R CB -0.752 29.537 30.300 -0.019 0.000 0.846 179 R HN 0.521 nan 8.270 nan 0.000 0.431 180 A N 1.047 123.871 122.820 0.006 0.000 1.903 180 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 180 A C 2.198 179.939 177.584 0.262 0.000 1.191 180 A CA 1.505 53.614 52.037 0.121 0.000 0.638 180 A CB -0.647 18.180 19.000 -0.290 0.000 0.823 180 A HN 0.262 nan 8.150 nan 0.000 0.451 181 L N -1.235 120.080 121.223 0.153 0.000 2.217 181 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 181 L C 2.266 179.203 176.870 0.111 0.000 1.107 181 L CA 1.548 56.492 54.840 0.173 0.000 0.783 181 L CB -0.416 41.716 42.059 0.123 0.000 0.919 181 L HN 0.522 nan 8.230 nan 0.000 0.442 182 D N -0.092 120.352 120.400 0.074 0.000 2.194 182 D HA -0.228 4.412 4.640 -0.000 0.000 0.204 182 D C 2.026 178.336 176.300 0.017 0.000 0.964 182 D CA 0.769 54.791 54.000 0.038 0.000 0.846 182 D CB 0.340 41.153 40.800 0.022 0.000 0.962 182 D HN 0.191 nan 8.370 nan 0.000 0.490 183 E N 0.424 120.648 120.200 0.040 0.000 2.031 183 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 183 E C 1.956 178.461 176.600 -0.159 0.000 0.994 183 E CA 1.604 57.974 56.400 -0.051 0.000 0.800 183 E CB -0.639 29.065 29.700 0.007 0.000 0.752 183 E HN 0.256 nan 8.360 nan 0.000 0.447 184 A N 1.047 123.840 122.820 -0.044 0.000 1.896 184 A HA -0.312 4.007 4.320 -0.000 0.000 0.220 184 A C 2.438 179.983 177.584 -0.065 0.000 1.206 184 A CA 2.536 54.537 52.037 -0.060 0.000 0.647 184 A CB -0.928 18.165 19.000 0.154 0.000 0.828 184 A HN 0.557 nan 8.150 nan 0.000 0.455 185 M N -0.769 118.828 119.600 -0.004 0.000 2.229 185 M HA -0.133 4.347 4.480 -0.000 0.000 0.264 185 M C 1.487 177.768 176.300 -0.032 0.000 1.063 185 M CA 1.772 57.079 55.300 0.012 0.000 1.114 185 M CB -0.290 32.326 32.600 0.026 0.000 1.387 185 M HN 0.441 nan 8.290 nan 0.000 0.420 186 N N 0.757 119.408 118.700 -0.081 0.000 2.171 186 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 186 N C 1.490 176.900 175.510 -0.166 0.000 1.021 186 N CA 1.102 54.090 53.050 -0.103 0.000 0.854 186 N CB -0.423 37.999 38.487 -0.108 0.000 0.994 186 N HN 0.405 nan 8.380 nan 0.000 0.426 187 K N 0.946 121.168 120.400 -0.296 0.000 2.218 187 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 187 K C 1.848 178.338 176.600 -0.183 0.000 1.046 187 K CA 0.696 56.729 56.287 -0.423 0.000 0.933 187 K CB -0.227 31.726 32.500 -0.913 0.000 0.728 187 K HN 0.189 nan 8.250 nan 0.000 0.454 188 L N 0.173 121.381 121.223 -0.026 0.000 2.362 188 L HA -0.177 4.162 4.340 -0.000 0.000 0.219 188 L C 2.358 179.270 176.870 0.071 0.000 1.134 188 L CA 1.440 56.353 54.840 0.123 0.000 0.807 188 L CB -0.372 41.770 42.059 0.138 0.000 0.927 188 L HN 0.255 nan 8.230 nan 0.000 0.447 189 Q N 0.356 120.163 119.800 0.013 0.000 2.157 189 Q HA 0.225 4.565 4.340 -0.000 0.000 0.229 189 Q C 0.539 176.534 176.000 -0.009 0.000 0.827 189 Q CA -0.235 55.580 55.803 0.020 0.000 1.055 189 Q CB 0.031 28.780 28.738 0.018 0.000 1.157 189 Q HN 0.387 nan 8.270 nan 0.000 0.482 190 R N -0.373 120.100 120.500 -0.045 0.000 2.349 190 R HA 0.659 4.999 4.340 -0.000 0.000 0.299 190 R C 1.139 177.435 176.300 -0.007 0.000 1.027 190 R CA 0.436 56.499 56.100 -0.063 0.000 0.958 190 R CB 1.524 31.680 30.300 -0.241 0.000 1.047 190 R HN 0.383 nan 8.270 nan 0.000 0.468 191 A N 2.777 125.618 122.820 0.035 0.000 1.874 191 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 191 A C 1.144 178.763 177.584 0.057 0.000 1.189 191 A CA 1.721 53.784 52.037 0.044 0.000 0.615 191 A CB -0.418 18.607 19.000 0.041 0.000 0.830 191 A HN 0.827 nan 8.150 nan 0.000 0.443 192 N N 0.020 118.783 118.700 0.106 0.000 2.791 192 N HA 0.479 5.218 4.740 -0.000 0.000 0.265 192 N C -1.777 173.820 175.510 0.146 0.000 1.580 192 N CA -0.936 52.178 53.050 0.107 0.000 0.809 192 N CB 0.084 38.628 38.487 0.095 0.000 1.178 192 N HN 0.077 nan 8.380 nan 0.000 0.499 193 P HA -0.246 nan 4.420 nan 0.000 0.218 193 P C 0.825 178.162 177.300 0.061 0.000 1.165 193 P CA 1.226 64.300 63.100 -0.043 0.000 0.922 193 P CB 0.339 32.000 31.700 -0.064 0.000 0.794 194 D N -1.066 119.369 120.400 0.059 0.000 2.221 194 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 194 D C 0.330 176.681 176.300 0.084 0.000 0.982 194 D CA 0.757 54.793 54.000 0.061 0.000 0.857 194 D CB -0.918 39.908 40.800 0.043 0.000 0.934 194 D HN 0.177 nan 8.370 nan 0.000 0.475 195 D N 0.492 120.959 120.400 0.111 0.000 3.264 195 D HA -0.147 4.493 4.640 -0.000 0.000 0.213 195 D C -1.598 174.738 176.300 0.060 0.000 1.112 195 D CA -0.619 53.434 54.000 0.089 0.000 0.777 195 D CB 0.962 41.835 40.800 0.122 0.000 1.156 195 D HN 0.072 nan 8.370 nan 0.000 0.556 196 P HA -0.106 nan 4.420 nan 0.000 0.223 196 P C 0.969 178.253 177.300 -0.027 0.000 1.144 196 P CA 1.403 64.505 63.100 0.004 0.000 0.783 196 P CB 0.054 31.750 31.700 -0.006 0.000 0.771 197 A N -0.228 122.536 122.820 -0.093 0.000 1.849 197 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 197 A C 1.385 178.859 177.584 -0.184 0.000 1.202 197 A CA 1.420 53.336 52.037 -0.200 0.000 0.629 197 A CB -2.088 16.688 19.000 -0.373 0.000 0.834 197 A HN 0.198 nan 8.150 nan 0.000 0.447 198 Y N 1.013 121.296 120.300 -0.029 0.000 2.570 198 Y HA 0.192 4.742 4.550 -0.000 0.000 0.358 198 Y C 2.127 178.008 175.900 -0.032 0.000 1.185 198 Y CA 0.436 58.513 58.100 -0.038 0.000 1.299 198 Y CB -1.700 36.727 38.460 -0.056 0.000 1.219 198 Y HN 0.562 nan 8.280 nan 0.000 0.482 199 D N 0.258 120.703 120.400 0.074 0.000 2.269 199 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 199 D C 1.863 178.191 176.300 0.047 0.000 0.963 199 D CA 1.258 55.289 54.000 0.053 0.000 0.864 199 D CB -0.024 40.791 40.800 0.026 0.000 0.936 199 D HN 0.469 nan 8.370 nan 0.000 0.505 200 E N 0.767 120.993 120.200 0.045 0.000 2.127 200 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 200 E C 1.917 178.546 176.600 0.049 0.000 0.964 200 E CA 0.818 57.241 56.400 0.038 0.000 0.832 200 E CB -0.288 29.427 29.700 0.024 0.000 0.790 200 E HN 0.536 nan 8.360 nan 0.000 0.465 201 N N 0.252 118.986 118.700 0.057 0.000 2.091 201 N HA -0.261 4.479 4.740 -0.000 0.000 0.193 201 N C 1.944 177.478 175.510 0.041 0.000 1.021 201 N CA 2.143 55.219 53.050 0.043 0.000 0.862 201 N CB -0.297 38.205 38.487 0.026 0.000 1.018 201 N HN 0.252 nan 8.380 nan 0.000 0.429 202 K N 2.143 122.564 120.400 0.035 0.000 2.217 202 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 202 K C 2.007 178.670 176.600 0.104 0.000 1.051 202 K CA 0.735 57.051 56.287 0.049 0.000 0.952 202 K CB -0.538 31.980 32.500 0.029 0.000 0.736 202 K HN 0.183 nan 8.250 nan 0.000 0.453 203 R N -0.305 120.241 120.500 0.078 0.000 2.066 203 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 203 R C 2.537 178.883 176.300 0.076 0.000 1.131 203 R CA 1.764 57.906 56.100 0.069 0.000 0.955 203 R CB -0.063 30.263 30.300 0.044 0.000 0.851 203 R HN 0.490 nan 8.270 nan 0.000 0.432 204 Q N 0.152 119.999 119.800 0.079 0.000 2.050 204 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 204 Q C 1.726 177.786 176.000 0.100 0.000 0.980 204 Q CA 1.702 57.545 55.803 0.067 0.000 0.840 204 Q CB -0.610 28.163 28.738 0.057 0.000 0.898 204 Q HN 0.290 nan 8.270 nan 0.000 0.424 205 F N 0.799 120.735 119.950 -0.023 0.000 2.087 205 F HA -0.303 4.224 4.527 -0.000 0.000 0.299 205 F C 2.111 177.902 175.800 -0.015 0.000 1.100 205 F CA 2.023 60.011 58.000 -0.020 0.000 1.226 205 F CB -0.179 38.822 39.000 0.001 0.000 0.983 205 F HN 0.209 nan 8.300 nan 0.000 0.479 206 Q N -0.185 119.674 119.800 0.098 0.000 2.123 206 Q HA -0.209 4.131 4.340 -0.000 0.000 0.199 206 Q C 2.250 178.213 176.000 -0.061 0.000 0.966 206 Q CA 1.510 57.314 55.803 0.001 0.000 0.845 206 Q CB -0.673 28.097 28.738 0.053 0.000 0.907 206 Q HN 0.632 nan 8.270 nan 0.000 0.439 207 E N 1.022 121.198 120.200 -0.039 0.000 2.077 207 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 207 E C 0.920 177.452 176.600 -0.113 0.000 0.989 207 E CA 1.208 57.574 56.400 -0.057 0.000 0.800 207 E CB 0.183 29.865 29.700 -0.031 0.000 0.746 207 E HN 0.188 nan 8.360 nan 0.000 0.452 208 D N 0.413 120.721 120.400 -0.154 0.000 2.178 208 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 208 D C 1.971 178.058 176.300 -0.354 0.000 0.974 208 D CA 0.693 54.545 54.000 -0.247 0.000 0.841 208 D CB -0.100 40.544 40.800 -0.259 0.000 0.953 208 D HN 0.314 nan 8.370 nan 0.000 0.478 209 I N 0.476 120.829 120.570 -0.362 0.000 2.315 209 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 209 I C 2.412 178.403 176.117 -0.210 0.000 1.117 209 I CA 0.815 61.913 61.300 -0.337 0.000 1.404 209 I CB 0.035 37.882 38.000 -0.254 0.000 1.071 209 I HN -0.100 nan 8.210 nan 0.000 0.419 210 K N 0.528 120.838 120.400 -0.150 0.000 2.057 210 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 210 K C 2.122 178.663 176.600 -0.099 0.000 1.049 210 K CA 1.216 57.445 56.287 -0.096 0.000 0.931 210 K CB -0.303 32.158 32.500 -0.065 0.000 0.714 210 K HN 0.169 nan 8.250 nan 0.000 0.440 211 V N 1.612 121.449 119.914 -0.129 0.000 2.332 211 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 211 V C 2.411 178.424 176.094 -0.135 0.000 1.055 211 V CA 1.750 63.979 62.300 -0.118 0.000 1.038 211 V CB -0.344 31.393 31.823 -0.144 0.000 0.651 211 V HN 0.350 nan 8.190 nan 0.000 0.450 212 M N -0.493 118.950 119.600 -0.261 0.000 2.156 212 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 212 M C 1.992 178.270 176.300 -0.037 0.000 1.067 212 M CA 1.499 56.632 55.300 -0.280 0.000 1.131 212 M CB -0.530 31.773 32.600 -0.495 0.000 1.368 212 M HN 0.371 nan 8.290 nan 0.000 0.416 213 N N 0.414 119.074 118.700 -0.067 0.000 2.459 213 N HA -0.112 4.628 4.740 -0.000 0.000 0.181 213 N C 0.865 176.361 175.510 -0.023 0.000 1.046 213 N CA 0.930 53.960 53.050 -0.033 0.000 0.904 213 N CB -0.152 38.307 38.487 -0.047 0.000 0.964 213 N HN 0.323 nan 8.380 nan 0.000 0.444 214 D N 1.055 121.446 120.400 -0.014 0.000 2.144 214 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 214 D C 2.083 178.384 176.300 0.001 0.000 0.978 214 D CA 0.630 54.627 54.000 -0.006 0.000 0.833 214 D CB 0.085 40.886 40.800 0.001 0.000 0.961 214 D HN 0.368 nan 8.370 nan 0.000 0.470 215 L N -1.918 119.327 121.223 0.036 0.000 2.446 215 L HA 0.114 4.454 4.340 -0.000 0.000 0.219 215 L C 2.054 178.832 176.870 -0.153 0.000 1.116 215 L CA 0.318 55.138 54.840 -0.034 0.000 0.844 215 L CB -0.558 41.530 42.059 0.048 0.000 0.970 215 L HN -0.253 nan 8.230 nan 0.000 0.457 216 V N 0.989 120.850 119.914 -0.087 0.000 2.380 216 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 216 V C 2.227 178.239 176.094 -0.137 0.000 1.063 216 V CA 2.155 64.374 62.300 -0.136 0.000 1.055 216 V CB -0.748 31.029 31.823 -0.076 0.000 0.657 216 V HN 0.519 nan 8.190 nan 0.000 0.455 217 D N -0.345 119.998 120.400 -0.096 0.000 2.183 217 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 217 D C 2.262 178.511 176.300 -0.086 0.000 0.969 217 D CA 0.985 54.940 54.000 -0.076 0.000 0.842 217 D CB -0.052 40.719 40.800 -0.049 0.000 0.957 217 D HN 0.431 nan 8.370 nan 0.000 0.484 218 K N 0.215 120.545 120.400 -0.116 0.000 2.116 218 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 218 K C 2.258 178.751 176.600 -0.178 0.000 1.052 218 K CA 0.320 56.539 56.287 -0.113 0.000 0.952 218 K CB 0.166 32.612 32.500 -0.090 0.000 0.729 218 K HN 0.115 nan 8.250 nan 0.000 0.446 219 I N 0.953 121.319 120.570 -0.340 0.000 2.286 219 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 219 I C 2.094 178.128 176.117 -0.138 0.000 1.115 219 I CA 1.269 62.364 61.300 -0.341 0.000 1.392 219 I CB -0.206 37.504 38.000 -0.484 0.000 1.065 219 I HN 0.114 nan 8.210 nan 0.000 0.418 220 I N 0.599 121.101 120.570 -0.113 0.000 2.233 220 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 220 I C 2.834 178.931 176.117 -0.033 0.000 1.093 220 I CA 1.158 62.425 61.300 -0.055 0.000 1.380 220 I CB -0.527 37.444 38.000 -0.049 0.000 1.067 220 I HN 0.139 nan 8.210 nan 0.000 0.413 221 A N 0.943 123.741 122.820 -0.037 0.000 1.859 221 A HA -0.324 3.996 4.320 -0.000 0.000 0.217 221 A C 1.960 179.541 177.584 -0.006 0.000 1.198 221 A CA 2.622 54.647 52.037 -0.019 0.000 0.629 221 A CB -0.983 18.006 19.000 -0.018 0.000 0.830 221 A HN 0.360 nan 8.150 nan 0.000 0.446 222 D N -1.210 119.191 120.400 0.002 0.000 2.116 222 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 222 D C 2.109 178.419 176.300 0.017 0.000 0.998 222 D CA 1.699 55.713 54.000 0.023 0.000 0.836 222 D CB -0.224 40.618 40.800 0.069 0.000 0.951 222 D HN 0.385 nan 8.370 nan 0.000 0.449 223 R N 1.494 122.002 120.500 0.013 0.000 2.080 223 R HA -0.064 4.276 4.340 -0.000 0.000 0.236 223 R C 1.483 177.786 176.300 0.005 0.000 1.137 223 R CA 1.536 57.644 56.100 0.013 0.000 0.943 223 R CB -0.354 29.956 30.300 0.015 0.000 0.846 223 R HN 0.074 nan 8.270 nan 0.000 0.431 224 K N -0.426 119.975 120.400 0.001 0.000 2.589 224 K HA -0.041 4.279 4.320 -0.000 0.000 0.195 224 K C 1.163 177.763 176.600 -0.001 0.000 1.040 224 K CA 0.868 57.155 56.287 -0.001 0.000 0.950 224 K CB 0.064 32.562 32.500 -0.003 0.000 0.781 224 K HN 0.336 nan 8.250 nan 0.000 0.486 225 A N 0.711 123.532 122.820 0.001 0.000 2.259 225 A HA 0.058 4.378 4.320 -0.000 0.000 0.213 225 A C 1.050 178.633 177.584 -0.002 0.000 1.209 225 A CA -0.134 51.903 52.037 -0.001 0.000 0.910 225 A CB 0.317 19.317 19.000 -0.000 0.000 0.946 225 A HN 0.240 nan 8.150 nan 0.000 0.497 230 S N 0.350 116.032 115.700 -0.031 0.000 3.585 230 S HA -0.110 4.360 4.470 -0.000 0.000 0.857 230 S C -0.047 174.507 174.600 -0.077 0.000 1.245 230 S CA 1.153 59.325 58.200 -0.046 0.000 0.772 230 S CB 0.146 63.316 63.200 -0.051 0.000 0.607 230 S HN 0.936 nan 8.310 nan 0.000 0.287 231 D N 1.692 122.047 120.400 -0.075 0.000 3.068 231 D HA 0.360 5.000 4.640 -0.000 0.000 0.327 231 D C -0.271 175.914 176.300 -0.192 0.000 1.361 231 D CA -0.421 53.523 54.000 -0.093 0.000 0.877 231 D CB 0.025 40.826 40.800 0.001 0.000 1.088 231 D HN 0.536 nan 8.370 nan 0.000 0.489 232 D N -1.256 118.926 120.400 -0.364 0.000 2.654 232 D HA 0.074 4.714 4.640 -0.000 0.000 0.255 232 D C 1.276 177.220 176.300 -0.595 0.000 1.101 232 D CA -0.783 53.024 54.000 -0.321 0.000 1.116 232 D CB 0.372 41.057 40.800 -0.191 0.000 1.348 232 D HN -0.069 nan 8.370 nan 0.000 0.609 233 L N -0.401 120.545 121.223 -0.463 0.000 2.051 233 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 233 L C 1.978 178.630 176.870 -0.364 0.000 1.076 233 L CA 1.634 56.194 54.840 -0.467 0.000 0.758 233 L CB -1.039 40.580 42.059 -0.733 0.000 0.890 233 L HN 0.589 nan 8.230 nan 0.000 0.433 234 L N -1.623 119.391 121.223 -0.349 0.000 2.291 234 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 234 L C 2.427 179.235 176.870 -0.103 0.000 1.120 234 L CA 2.107 56.883 54.840 -0.106 0.000 0.799 234 L CB -0.814 41.274 42.059 0.047 0.000 0.925 234 L HN 0.518 nan 8.230 nan 0.000 0.446 235 T N -2.072 112.350 114.554 -0.220 0.000 2.852 235 T HA -0.154 4.196 4.350 -0.000 0.000 0.256 235 T C 1.803 176.441 174.700 -0.103 0.000 1.038 235 T CA 1.455 63.454 62.100 -0.169 0.000 1.141 235 T CB -0.477 68.275 68.868 -0.194 0.000 0.869 235 T HN 0.630 nan 8.240 nan 0.000 0.439 236 H N 0.356 119.393 119.070 -0.054 0.000 2.352 236 H HA 0.026 4.582 4.556 -0.000 0.000 0.299 236 H C 2.501 177.814 175.328 -0.024 0.000 1.097 236 H CA 1.706 57.725 56.048 -0.048 0.000 1.311 236 H CB -0.263 29.454 29.762 -0.074 0.000 1.377 236 H HN 0.278 nan 8.280 nan 0.000 0.504 237 M N 0.389 120.029 119.600 0.067 0.000 2.180 237 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 237 M C 2.300 178.636 176.300 0.060 0.000 1.071 237 M CA 1.719 57.061 55.300 0.070 0.000 1.096 237 M CB -0.328 32.319 32.600 0.079 0.000 1.276 237 M HN 0.244 nan 8.290 nan 0.000 0.426 238 L N -0.038 121.209 121.223 0.040 0.000 2.042 238 L HA -0.297 4.043 4.340 -0.000 0.000 0.210 238 L C 2.128 179.017 176.870 0.032 0.000 1.076 238 L CA 1.209 56.070 54.840 0.034 0.000 0.749 238 L CB -0.564 41.507 42.059 0.019 0.000 0.893 238 L HN 0.426 nan 8.230 nan 0.000 0.432 239 N N -0.181 118.539 118.700 0.033 0.000 2.220 239 N HA -0.016 4.724 4.740 -0.000 0.000 0.182 239 N C 0.992 176.524 175.510 0.037 0.000 1.023 239 N CA 0.851 53.920 53.050 0.033 0.000 0.856 239 N CB -0.602 37.908 38.487 0.037 0.000 0.997 239 N HN 0.214 nan 8.380 nan 0.000 0.429 240 G N 1.269 110.098 108.800 0.047 0.000 2.368 240 G HA2 0.107 4.066 3.960 -0.000 0.000 0.233 240 G HA3 0.107 4.066 3.960 -0.000 0.000 0.233 240 G C -0.192 174.726 174.900 0.030 0.000 1.267 240 G CA -0.033 45.090 45.100 0.038 0.000 0.873 240 G HN 0.044 nan 8.290 nan 0.000 0.539 241 K N 0.907 121.319 120.400 0.020 0.000 2.328 241 K HA 0.399 4.719 4.320 -0.000 0.000 0.246 241 K C -0.749 175.860 176.600 0.014 0.000 0.955 241 K CA -0.947 55.352 56.287 0.019 0.000 0.817 241 K CB 2.243 34.754 32.500 0.017 0.000 1.208 241 K HN 0.802 nan 8.250 nan 0.000 0.432 242 D N 1.669 122.080 120.400 0.019 0.000 2.274 242 D HA 0.309 4.949 4.640 -0.000 0.000 0.239 242 D C -2.127 174.185 176.300 0.019 0.000 1.104 242 D CA -2.229 51.782 54.000 0.018 0.000 0.840 242 D CB 1.278 42.093 40.800 0.025 0.000 1.100 242 D HN 0.156 nan 8.370 nan 0.000 0.477 243 P HA 0.225 nan 4.420 nan 0.000 0.212 243 P C -0.453 176.861 177.300 0.024 0.000 1.816 243 P CA 0.194 63.304 63.100 0.017 0.000 0.944 243 P CB 0.614 32.320 31.700 0.011 0.000 1.896 244 E N -0.755 119.462 120.200 0.029 0.000 3.575 244 E HA -0.047 4.303 4.350 -0.000 0.000 0.263 244 E C 1.484 178.105 176.600 0.035 0.000 1.230 244 E CA 0.604 57.025 56.400 0.035 0.000 1.875 244 E CB -0.077 29.650 29.700 0.045 0.000 1.961 244 E HN 0.227 nan 8.360 nan 0.000 0.904 245 T N -1.701 112.875 114.554 0.037 0.000 2.732 245 T HA 0.111 4.461 4.350 -0.000 0.000 0.261 245 T C 1.590 176.308 174.700 0.030 0.000 1.040 245 T CA 1.457 63.579 62.100 0.037 0.000 1.145 245 T CB 0.071 68.965 68.868 0.042 0.000 0.866 245 T HN 0.427 nan 8.240 nan 0.000 0.427 246 G N 0.935 109.752 108.800 0.028 0.000 2.148 246 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.203 246 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.203 246 G C -0.301 174.613 174.900 0.024 0.000 0.993 246 G CA -0.002 45.112 45.100 0.023 0.000 0.661 246 G HN 0.706 nan 8.290 nan 0.000 0.518 247 E N 0.611 120.828 120.200 0.028 0.000 2.281 247 E HA 0.638 4.988 4.350 -0.000 0.000 0.262 247 E C -2.650 173.970 176.600 0.033 0.000 0.933 247 E CA -2.080 54.339 56.400 0.031 0.000 0.809 247 E CB 2.781 32.502 29.700 0.036 0.000 1.242 247 E HN 0.176 nan 8.360 nan 0.000 0.418 248 P HA 0.255 nan 4.420 nan 0.000 0.296 248 P C -0.668 176.660 177.300 0.046 0.000 1.310 248 P CA -0.596 62.527 63.100 0.038 0.000 0.900 248 P CB 0.964 32.685 31.700 0.034 0.000 1.111 249 L N 1.993 123.249 121.223 0.054 0.000 2.499 249 L HA 0.067 4.407 4.340 -0.000 0.000 0.273 249 L C 1.150 178.059 176.870 0.064 0.000 1.195 249 L CA 0.200 55.080 54.840 0.066 0.000 0.882 249 L CB -0.357 41.750 42.059 0.081 0.000 1.133 249 L HN 0.417 nan 8.230 nan 0.000 0.483 250 D N 1.866 122.308 120.400 0.070 0.000 2.474 250 D HA -0.112 4.528 4.640 -0.000 0.000 0.232 250 D C 0.893 177.229 176.300 0.060 0.000 1.177 250 D CA 0.109 54.148 54.000 0.065 0.000 0.876 250 D CB 0.718 41.566 40.800 0.080 0.000 1.208 250 D HN 0.434 nan 8.370 nan 0.000 0.464 251 D N 1.433 121.857 120.400 0.041 0.000 2.117 251 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 251 D C 1.562 177.863 176.300 0.002 0.000 0.982 251 D CA 0.756 54.768 54.000 0.021 0.000 0.828 251 D CB 0.098 40.903 40.800 0.008 0.000 0.967 251 D HN 0.552 nan 8.370 nan 0.000 0.464 252 E N 0.642 120.846 120.200 0.006 0.000 2.051 252 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 252 E C 1.930 178.534 176.600 0.007 0.000 0.991 252 E CA 0.507 56.883 56.400 -0.040 0.000 0.799 252 E CB -0.065 29.660 29.700 0.042 0.000 0.748 252 E HN 0.205 nan 8.360 nan 0.000 0.449 253 N N 0.702 119.494 118.700 0.153 0.000 2.223 253 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 253 N C 2.019 177.645 175.510 0.193 0.000 1.016 253 N CA 0.731 53.929 53.050 0.248 0.000 0.863 253 N CB -0.041 38.560 38.487 0.190 0.000 0.983 253 N HN 0.189 nan 8.380 nan 0.000 0.429 254 I N 0.980 121.619 120.570 0.116 0.000 2.252 254 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 254 I C 2.386 178.560 176.117 0.094 0.000 1.102 254 I CA 0.795 62.165 61.300 0.116 0.000 1.385 254 I CB -0.151 37.901 38.000 0.085 0.000 1.064 254 I HN 0.107 nan 8.210 nan 0.000 0.414 255 R N -0.081 120.418 120.500 -0.002 0.000 2.083 255 R HA -0.209 4.130 4.340 -0.000 0.000 0.237 255 R C 2.332 178.643 176.300 0.019 0.000 1.137 255 R CA 1.668 57.731 56.100 -0.062 0.000 0.951 255 R CB -0.621 29.555 30.300 -0.206 0.000 0.851 255 R HN 0.282 nan 8.270 nan 0.000 0.434 256 Y N 1.378 121.732 120.300 0.090 0.000 2.224 256 Y HA -0.172 4.378 4.550 -0.000 0.000 0.289 256 Y C 2.626 178.595 175.900 0.115 0.000 1.146 256 Y CA 0.983 59.142 58.100 0.098 0.000 1.182 256 Y CB -0.347 38.163 38.460 0.083 0.000 0.983 256 Y HN 0.039 nan 8.280 nan 0.000 0.524 257 Q N -0.083 119.894 119.800 0.295 0.000 2.119 257 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 257 Q C 2.435 178.665 176.000 0.382 0.000 0.972 257 Q CA 1.333 57.318 55.803 0.303 0.000 0.847 257 Q CB -0.526 28.434 28.738 0.371 0.000 0.903 257 Q HN 0.554 nan 8.270 nan 0.000 0.433 258 I N 0.383 121.130 120.570 0.293 0.000 2.202 258 I HA -0.267 3.902 4.170 -0.000 0.000 0.242 258 I C 2.249 178.452 176.117 0.143 0.000 1.091 258 I CA 0.943 62.360 61.300 0.195 0.000 1.368 258 I CB -0.326 37.649 38.000 -0.042 0.000 1.058 258 I HN 0.076 nan 8.210 nan 0.000 0.410 259 I N 0.334 120.998 120.570 0.156 0.000 2.208 259 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 259 I C 2.507 178.748 176.117 0.207 0.000 1.097 259 I CA 1.646 63.070 61.300 0.207 0.000 1.363 259 I CB -0.595 37.555 38.000 0.251 0.000 1.051 259 I HN 0.249 nan 8.210 nan 0.000 0.413 260 T N 0.333 114.980 114.554 0.156 0.000 2.777 260 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 260 T C 1.640 176.297 174.700 -0.072 0.000 1.040 260 T CA 1.471 63.576 62.100 0.008 0.000 1.141 260 T CB -0.355 68.444 68.868 -0.116 0.000 0.868 260 T HN 0.180 nan 8.240 nan 0.000 0.444 261 F N 0.758 120.799 119.950 0.151 0.000 2.259 261 F HA 0.171 4.698 4.527 -0.000 0.000 0.298 261 F C 2.062 177.941 175.800 0.133 0.000 1.088 261 F CA 0.522 58.611 58.000 0.148 0.000 1.358 261 F CB -0.368 38.779 39.000 0.244 0.000 1.040 261 F HN 0.052 nan 8.300 nan 0.000 0.505 262 L N -0.442 120.942 121.223 0.268 0.000 2.141 262 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 262 L C 2.129 179.121 176.870 0.203 0.000 1.094 262 L CA 1.144 56.059 54.840 0.126 0.000 0.763 262 L CB -0.447 41.555 42.059 -0.095 0.000 0.908 262 L HN 0.186 nan 8.230 nan 0.000 0.437 263 I N -1.333 119.366 120.570 0.216 0.000 2.260 263 I HA -0.221 3.949 4.170 -0.000 0.000 0.237 263 I C 2.479 178.625 176.117 0.048 0.000 1.075 263 I CA 0.951 62.372 61.300 0.202 0.000 1.376 263 I CB -0.190 37.910 38.000 0.166 0.000 1.107 263 I HN 0.184 nan 8.210 nan 0.000 0.420 264 M N 0.677 120.249 119.600 -0.047 0.000 2.374 264 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 264 M C 1.846 178.118 176.300 -0.046 0.000 1.067 264 M CA 1.217 56.424 55.300 -0.155 0.000 1.103 264 M CB -0.740 31.654 32.600 -0.342 0.000 1.402 264 M HN 0.322 nan 8.290 nan 0.000 0.444 265 G N -1.568 107.270 108.800 0.064 0.000 3.061 265 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.208 265 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.208 265 G C 0.623 175.624 174.900 0.168 0.000 1.175 265 G CA 0.822 45.986 45.100 0.108 0.000 0.812 265 G HN 0.744 nan 8.290 nan 0.000 0.523 266 H N -3.210 115.890 119.070 0.050 0.000 3.049 266 H HA 0.143 4.699 4.556 -0.000 0.000 0.212 266 H C 1.688 177.043 175.328 0.046 0.000 0.894 266 H CA 0.676 56.756 56.048 0.054 0.000 0.968 266 H CB -0.066 29.699 29.762 0.005 0.000 1.271 266 H HN 0.132 nan 8.280 nan 0.000 0.531 267 E N 1.853 121.573 120.200 -0.800 0.000 2.072 267 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 267 E C 2.069 178.552 176.600 -0.195 0.000 0.985 267 E CA 2.699 58.723 56.400 -0.628 0.000 0.801 267 E CB -0.340 29.040 29.700 -0.533 0.000 0.750 267 E HN 0.632 nan 8.360 nan 0.000 0.452 268 T N -2.950 111.543 114.554 -0.102 0.000 2.904 268 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 268 T C 1.914 176.655 174.700 0.068 0.000 1.059 268 T CA 1.404 63.504 62.100 -0.000 0.000 1.137 268 T CB -0.785 68.089 68.868 0.010 0.000 0.879 268 T HN 0.084 nan 8.240 nan 0.000 0.467 269 T N 1.959 116.570 114.554 0.094 0.000 2.821 269 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 269 T C 2.265 177.039 174.700 0.123 0.000 1.046 269 T CA 1.390 63.577 62.100 0.144 0.000 1.139 269 T CB -0.610 68.371 68.868 0.189 0.000 0.871 269 T HN 0.532 nan 8.240 nan 0.000 0.454 270 S N 0.978 116.731 115.700 0.089 0.000 2.368 270 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 270 S C 2.463 177.095 174.600 0.053 0.000 1.030 270 S CA 1.637 59.883 58.200 0.077 0.000 0.999 270 S CB -0.969 62.275 63.200 0.073 0.000 0.844 270 S HN 0.575 nan 8.310 nan 0.000 0.459 271 G N 1.807 110.633 108.800 0.044 0.000 2.469 271 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 271 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 271 G C 1.386 176.401 174.900 0.192 0.000 1.136 271 G CA 1.228 46.362 45.100 0.056 0.000 0.759 271 G HN 0.531 nan 8.290 nan 0.000 0.562 272 L N 0.401 121.753 121.223 0.215 0.000 1.994 272 L HA 0.091 4.431 4.340 -0.000 0.000 0.208 272 L C 2.672 179.686 176.870 0.240 0.000 1.071 272 L CA 1.491 56.489 54.840 0.264 0.000 0.745 272 L CB -0.728 41.457 42.059 0.210 0.000 0.892 272 L HN 0.218 nan 8.230 nan 0.000 0.431 273 L N -0.986 120.340 121.223 0.171 0.000 2.083 273 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 273 L C 2.463 179.418 176.870 0.142 0.000 1.083 273 L CA 1.302 56.232 54.840 0.150 0.000 0.752 273 L CB -0.597 41.536 42.059 0.123 0.000 0.899 273 L HN 0.235 nan 8.230 nan 0.000 0.433 274 S N -0.730 115.025 115.700 0.092 0.000 2.368 274 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 274 S C 1.780 176.381 174.600 0.003 0.000 1.029 274 S CA 1.159 59.383 58.200 0.040 0.000 0.988 274 S CB -0.284 62.848 63.200 -0.112 0.000 0.838 274 S HN 0.217 nan 8.310 nan 0.000 0.462 275 F N 1.953 121.932 119.950 0.048 0.000 2.146 275 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 275 F C 2.512 178.370 175.800 0.096 0.000 1.096 275 F CA 0.432 58.430 58.000 -0.002 0.000 1.275 275 F CB -1.044 38.037 39.000 0.135 0.000 1.008 275 F HN 0.156 nan 8.300 nan 0.000 0.480 276 A N -0.103 122.938 122.820 0.368 0.000 1.865 276 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 276 A C 2.132 179.824 177.584 0.179 0.000 1.191 276 A CA 1.681 53.906 52.037 0.312 0.000 0.623 276 A CB -1.223 17.934 19.000 0.263 0.000 0.826 276 A HN 0.316 nan 8.150 nan 0.000 0.444 277 L N -1.533 119.779 121.223 0.148 0.000 2.191 277 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 277 L C 2.232 179.178 176.870 0.127 0.000 1.103 277 L CA 2.106 57.006 54.840 0.101 0.000 0.769 277 L CB -0.891 41.218 42.059 0.084 0.000 0.908 277 L HN 0.566 nan 8.230 nan 0.000 0.438 278 Y N -1.114 119.109 120.300 -0.128 0.000 2.181 278 Y HA -0.267 4.283 4.550 -0.000 0.000 0.288 278 Y C 1.985 177.657 175.900 -0.380 0.000 1.146 278 Y CA 1.829 59.627 58.100 -0.503 0.000 1.164 278 Y CB -0.368 37.573 38.460 -0.864 0.000 0.982 278 Y HN 0.183 nan 8.280 nan 0.000 0.515 279 F N -0.314 119.456 119.950 -0.301 0.000 2.187 279 F HA -0.101 4.426 4.527 -0.000 0.000 0.295 279 F C 2.174 177.711 175.800 -0.438 0.000 1.091 279 F CA 1.025 58.647 58.000 -0.629 0.000 1.308 279 F CB -0.919 37.231 39.000 -1.416 0.000 1.030 279 F HN 0.003 nan 8.300 nan 0.000 0.487 280 L N 0.097 121.274 121.223 -0.076 0.000 1.990 280 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 280 L C 2.535 179.408 176.870 0.006 0.000 1.072 280 L CA 1.772 56.625 54.840 0.022 0.000 0.755 280 L CB -1.154 40.942 42.059 0.061 0.000 0.889 280 L HN 0.177 nan 8.230 nan 0.000 0.432 281 V N -3.705 116.188 119.914 -0.036 0.000 2.809 281 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 281 V C 2.132 178.191 176.094 -0.059 0.000 1.080 281 V CA 1.202 63.501 62.300 -0.002 0.000 1.102 281 V CB -0.559 31.302 31.823 0.063 0.000 0.705 281 V HN 0.314 nan 8.190 nan 0.000 0.475 282 K N 1.224 121.515 120.400 -0.180 0.000 2.400 282 K HA 0.212 4.532 4.320 -0.000 0.000 0.194 282 K C 0.289 176.877 176.600 -0.020 0.000 1.033 282 K CA 0.276 56.473 56.287 -0.150 0.000 1.021 282 K CB -0.173 32.137 32.500 -0.316 0.000 0.808 282 K HN 0.616 nan 8.250 nan 0.000 0.505 283 N N 1.380 120.093 118.700 0.022 0.000 2.790 283 N HA 0.144 4.884 4.740 -0.000 0.000 0.256 283 N C -2.413 173.174 175.510 0.127 0.000 1.409 283 N CA -1.096 52.014 53.050 0.100 0.000 0.799 283 N CB 1.720 40.299 38.487 0.154 0.000 1.170 283 N HN -0.180 nan 8.380 nan 0.000 0.507 284 P HA -0.189 nan 4.420 nan 0.000 0.216 284 P C 1.304 178.711 177.300 0.179 0.000 1.150 284 P CA 1.185 64.368 63.100 0.139 0.000 0.837 284 P CB 0.148 31.921 31.700 0.121 0.000 0.786 285 H N -0.381 118.747 119.070 0.097 0.000 2.457 285 H HA -0.058 4.497 4.556 -0.000 0.000 0.294 285 H C 1.431 176.834 175.328 0.125 0.000 1.064 285 H CA 0.881 56.985 56.048 0.093 0.000 1.330 285 H CB 0.109 29.915 29.762 0.075 0.000 1.395 285 H HN -0.093 nan 8.280 nan 0.000 0.541 286 V N 1.111 121.065 119.914 0.067 0.000 2.548 286 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 286 V C 2.598 178.799 176.094 0.178 0.000 1.055 286 V CA 1.030 63.411 62.300 0.135 0.000 1.065 286 V CB -0.504 31.485 31.823 0.277 0.000 0.681 286 V HN 0.279 nan 8.190 nan 0.000 0.462 287 L N 0.400 121.715 121.223 0.154 0.000 2.027 287 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 287 L C 2.517 179.471 176.870 0.140 0.000 1.074 287 L CA 2.189 57.128 54.840 0.164 0.000 0.745 287 L CB -0.958 41.196 42.059 0.159 0.000 0.898 287 L HN 0.413 nan 8.230 nan 0.000 0.433 288 Q N -0.739 119.124 119.800 0.105 0.000 2.181 288 Q HA -0.264 4.076 4.340 -0.000 0.000 0.205 288 Q C 2.157 178.170 176.000 0.023 0.000 0.980 288 Q CA 1.672 57.523 55.803 0.081 0.000 0.862 288 Q CB -0.126 28.678 28.738 0.110 0.000 0.905 288 Q HN 0.396 nan 8.270 nan 0.000 0.429 289 K N -0.517 119.848 120.400 -0.057 0.000 2.228 289 K HA -0.031 4.289 4.320 -0.000 0.000 0.202 289 K C 1.689 178.233 176.600 -0.095 0.000 1.051 289 K CA 0.907 57.085 56.287 -0.182 0.000 0.960 289 K CB 0.072 32.310 32.500 -0.437 0.000 0.743 289 K HN 0.298 nan 8.250 nan 0.000 0.458 290 A N 0.635 123.520 122.820 0.109 0.000 1.911 290 A HA 0.102 4.422 4.320 -0.000 0.000 0.212 290 A C 2.262 179.941 177.584 0.158 0.000 1.189 290 A CA 1.217 53.397 52.037 0.238 0.000 0.639 290 A CB -0.409 18.787 19.000 0.326 0.000 0.839 290 A HN 0.279 nan 8.150 nan 0.000 0.449 291 A N -0.043 122.861 122.820 0.141 0.000 1.940 291 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 291 A C 2.045 179.675 177.584 0.076 0.000 1.176 291 A CA 1.840 53.951 52.037 0.124 0.000 0.631 291 A CB -0.475 18.606 19.000 0.135 0.000 0.814 291 A HN 0.588 nan 8.150 nan 0.000 0.446 292 E N 0.193 120.423 120.200 0.049 0.000 2.051 292 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 292 E C 2.012 178.624 176.600 0.020 0.000 0.991 292 E CA 1.635 58.048 56.400 0.021 0.000 0.799 292 E CB -0.318 29.380 29.700 -0.003 0.000 0.748 292 E HN 0.780 nan 8.360 nan 0.000 0.449 293 E N 0.066 120.281 120.200 0.026 0.000 2.118 293 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 293 E C 1.945 178.576 176.600 0.050 0.000 0.992 293 E CA 1.153 57.577 56.400 0.040 0.000 0.804 293 E CB -0.151 29.590 29.700 0.069 0.000 0.741 293 E HN 0.300 nan 8.360 nan 0.000 0.458 294 A N 1.527 124.386 122.820 0.065 0.000 1.851 294 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 294 A C 2.513 180.114 177.584 0.028 0.000 1.195 294 A CA 2.215 54.288 52.037 0.060 0.000 0.622 294 A CB -1.191 17.860 19.000 0.085 0.000 0.831 294 A HN 0.448 nan 8.150 nan 0.000 0.444 295 A N -0.641 122.189 122.820 0.016 0.000 1.892 295 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 295 A C 2.305 179.886 177.584 -0.005 0.000 1.188 295 A CA 2.055 54.087 52.037 -0.009 0.000 0.631 295 A CB -0.605 18.390 19.000 -0.009 0.000 0.822 295 A HN 0.539 nan 8.150 nan 0.000 0.447 296 R N -0.830 119.673 120.500 0.006 0.000 2.096 296 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 296 R C 1.805 178.111 176.300 0.011 0.000 1.127 296 R CA 1.811 57.915 56.100 0.007 0.000 0.968 296 R CB -0.187 30.118 30.300 0.009 0.000 0.861 296 R HN 0.417 nan 8.270 nan 0.000 0.440 297 V N 0.283 120.207 119.914 0.017 0.000 2.949 297 V HA 0.007 4.127 4.120 -0.000 0.000 0.245 297 V C 1.156 177.261 176.094 0.020 0.000 1.086 297 V CA 0.632 62.945 62.300 0.022 0.000 1.097 297 V CB 0.152 31.995 31.823 0.032 0.000 0.762 297 V HN 0.170 nan 8.190 nan 0.000 0.470 298 L N 2.133 123.365 121.223 0.015 0.000 2.536 298 L HA 0.175 4.515 4.340 -0.000 0.000 0.242 298 L C 1.240 178.108 176.870 -0.004 0.000 1.280 298 L CA -0.104 54.743 54.840 0.013 0.000 1.221 298 L CB 0.736 42.805 42.059 0.018 0.000 1.449 298 L HN 0.282 nan 8.230 nan 0.000 0.405 299 V N -3.914 116.001 119.914 0.002 0.000 3.461 299 V HA 0.133 4.253 4.120 -0.000 0.000 0.267 299 V C 0.612 176.706 176.094 -0.001 0.000 1.186 299 V CA 0.417 62.715 62.300 -0.004 0.000 1.154 299 V CB -0.361 31.462 31.823 0.000 0.000 0.802 299 V HN 0.377 nan 8.190 nan 0.000 0.474 300 D N 1.249 121.656 120.400 0.010 0.000 2.442 300 D HA 0.425 5.065 4.640 -0.000 0.000 0.254 300 D C -1.741 174.572 176.300 0.023 0.000 1.069 300 D CA -1.515 52.495 54.000 0.017 0.000 1.017 300 D CB 1.512 42.328 40.800 0.027 0.000 1.172 300 D HN 0.101 nan 8.370 nan 0.000 0.561 301 P HA 0.014 nan 4.420 nan 0.000 0.224 301 P C 0.229 177.563 177.300 0.057 0.000 1.157 301 P CA 0.511 63.635 63.100 0.040 0.000 0.799 301 P CB 0.370 32.087 31.700 0.029 0.000 0.809 302 V N -3.793 116.153 119.914 0.053 0.000 2.656 302 V HA 0.695 4.815 4.120 -0.000 0.000 0.307 302 V C -3.071 173.071 176.094 0.080 0.000 1.051 302 V CA -2.970 59.367 62.300 0.061 0.000 0.893 302 V CB 1.407 33.258 31.823 0.048 0.000 0.999 302 V HN -0.264 nan 8.190 nan 0.000 0.426 303 P HA 0.352 nan 4.420 nan 0.000 0.271 303 P C -0.049 177.379 177.300 0.214 0.000 1.216 303 P CA 0.142 63.314 63.100 0.120 0.000 0.776 303 P CB 0.742 32.502 31.700 0.101 0.000 0.881 304 S N 1.735 117.524 115.700 0.148 0.000 2.672 304 S HA 0.197 4.667 4.470 -0.000 0.000 0.276 304 S C 0.856 175.404 174.600 -0.085 0.000 1.207 304 S CA -0.439 57.814 58.200 0.087 0.000 1.002 304 S CB 0.384 63.615 63.200 0.051 0.000 0.998 304 S HN 0.474 nan 8.310 nan 0.000 0.542 305 Y N 2.109 122.090 120.300 -0.532 0.000 2.049 305 Y HA -0.141 4.409 4.550 -0.000 0.000 0.277 305 Y C 2.807 178.639 175.900 -0.114 0.000 1.143 305 Y CA 3.000 60.791 58.100 -0.515 0.000 1.115 305 Y CB -1.286 36.904 38.460 -0.449 0.000 0.975 305 Y HN 0.812 nan 8.280 nan 0.000 0.487 306 K N 0.604 121.150 120.400 0.243 0.000 2.218 306 K HA -0.249 4.071 4.320 -0.000 0.000 0.205 306 K C 1.860 178.483 176.600 0.038 0.000 1.046 306 K CA 2.180 58.565 56.287 0.164 0.000 0.933 306 K CB -1.032 31.553 32.500 0.143 0.000 0.728 306 K HN 0.792 nan 8.250 nan 0.000 0.454 307 Q N -0.287 119.526 119.800 0.021 0.000 2.297 307 Q HA -0.001 4.339 4.340 -0.000 0.000 0.204 307 Q C 2.194 178.197 176.000 0.005 0.000 0.962 307 Q CA 1.057 56.872 55.803 0.020 0.000 0.879 307 Q CB 0.008 28.767 28.738 0.034 0.000 0.947 307 Q HN 0.449 nan 8.270 nan 0.000 0.462 308 V N 1.366 121.263 119.914 -0.029 0.000 2.379 308 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 308 V C 1.962 178.039 176.094 -0.029 0.000 1.044 308 V CA 1.428 63.709 62.300 -0.032 0.000 1.036 308 V CB -0.437 31.352 31.823 -0.057 0.000 0.664 308 V HN 0.267 nan 8.190 nan 0.000 0.453 309 K N 0.162 120.520 120.400 -0.070 0.000 2.281 309 K HA -0.217 4.103 4.320 -0.000 0.000 0.203 309 K C 1.985 178.593 176.600 0.014 0.000 1.046 309 K CA 1.131 57.400 56.287 -0.030 0.000 0.938 309 K CB -0.112 32.374 32.500 -0.023 0.000 0.737 309 K HN 0.364 nan 8.250 nan 0.000 0.458 310 Q N 0.483 120.295 119.800 0.020 0.000 2.319 310 Q HA 0.156 4.496 4.340 -0.000 0.000 0.202 310 Q C 0.356 176.383 176.000 0.045 0.000 0.896 310 Q CA 0.144 55.967 55.803 0.034 0.000 0.942 310 Q CB 0.259 29.016 28.738 0.033 0.000 1.083 310 Q HN 0.188 nan 8.270 nan 0.000 0.510 311 L N 1.149 122.400 121.223 0.046 0.000 2.437 311 L HA 0.097 4.437 4.340 -0.000 0.000 0.243 311 L C 1.037 177.955 176.870 0.080 0.000 1.346 311 L CA -0.243 54.636 54.840 0.065 0.000 1.233 311 L CB 0.079 42.174 42.059 0.060 0.000 1.436 311 L HN -0.040 nan 8.230 nan 0.000 0.416 312 K N 0.514 120.968 120.400 0.090 0.000 2.002 312 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 312 K C 1.740 178.414 176.600 0.123 0.000 1.048 312 K CA 1.689 58.034 56.287 0.096 0.000 0.930 312 K CB -0.278 32.282 32.500 0.100 0.000 0.714 312 K HN 0.361 nan 8.250 nan 0.000 0.438 313 Y N 0.259 120.575 120.300 0.027 0.000 2.352 313 Y HA -0.164 4.386 4.550 -0.000 0.000 0.292 313 Y C 1.761 177.682 175.900 0.035 0.000 1.136 313 Y CA 0.815 58.931 58.100 0.026 0.000 1.227 313 Y CB 0.016 38.491 38.460 0.026 0.000 0.991 313 Y HN -0.184 nan 8.280 nan 0.000 0.545 314 V N -0.633 119.342 119.914 0.102 0.000 2.307 314 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 314 V C 2.613 178.700 176.094 -0.013 0.000 1.045 314 V CA 1.944 64.276 62.300 0.054 0.000 1.024 314 V CB -1.453 30.428 31.823 0.095 0.000 0.651 314 V HN 0.562 nan 8.190 nan 0.000 0.449 315 G N -0.799 107.998 108.800 -0.004 0.000 2.469 315 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.220 315 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.220 315 G C 1.629 176.452 174.900 -0.127 0.000 1.136 315 G CA 1.363 46.445 45.100 -0.030 0.000 0.759 315 G HN 0.440 nan 8.290 nan 0.000 0.562 316 M N -0.274 119.212 119.600 -0.190 0.000 2.156 316 M HA 0.011 4.491 4.480 -0.000 0.000 0.264 316 M C 2.667 178.738 176.300 -0.382 0.000 1.067 316 M CA 0.656 55.767 55.300 -0.315 0.000 1.131 316 M CB -0.063 32.366 32.600 -0.284 0.000 1.368 316 M HN 0.092 nan 8.290 nan 0.000 0.416 317 V N 0.839 120.545 119.914 -0.347 0.000 2.469 317 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 317 V C 2.174 178.265 176.094 -0.005 0.000 1.064 317 V CA 1.559 63.757 62.300 -0.170 0.000 1.066 317 V CB -0.748 31.051 31.823 -0.039 0.000 0.667 317 V HN 0.471 nan 8.190 nan 0.000 0.461 318 L N -0.294 120.911 121.223 -0.030 0.000 2.072 318 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 318 L C 2.466 179.326 176.870 -0.016 0.000 1.079 318 L CA 1.274 56.142 54.840 0.046 0.000 0.752 318 L CB -0.719 41.383 42.059 0.072 0.000 0.906 318 L HN 0.335 nan 8.230 nan 0.000 0.436 319 N N 0.161 118.731 118.700 -0.217 0.000 2.120 319 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 319 N C 1.826 177.126 175.510 -0.350 0.000 1.024 319 N CA 1.225 54.061 53.050 -0.358 0.000 0.852 319 N CB -0.108 37.763 38.487 -1.027 0.000 1.003 319 N HN 0.277 nan 8.380 nan 0.000 0.424 320 E N 1.070 120.998 120.200 -0.453 0.000 2.110 320 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 320 E C 1.743 178.279 176.600 -0.107 0.000 0.988 320 E CA 1.235 57.441 56.400 -0.324 0.000 0.804 320 E CB -0.243 29.059 29.700 -0.663 0.000 0.745 320 E HN 0.320 nan 8.360 nan 0.000 0.458 321 A N 0.381 123.293 122.820 0.154 0.000 1.898 321 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 321 A C 2.236 179.939 177.584 0.199 0.000 1.181 321 A CA 1.266 53.529 52.037 0.376 0.000 0.620 321 A CB -0.697 18.613 19.000 0.517 0.000 0.819 321 A HN 0.341 nan 8.150 nan 0.000 0.442 322 L N -1.021 120.283 121.223 0.135 0.000 2.187 322 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 322 L C 2.729 179.633 176.870 0.057 0.000 1.100 322 L CA 1.530 56.411 54.840 0.070 0.000 0.765 322 L CB -0.500 41.572 42.059 0.021 0.000 0.904 322 L HN 0.465 nan 8.230 nan 0.000 0.437 323 R N 0.730 121.277 120.500 0.079 0.000 2.075 323 R HA -0.163 4.177 4.340 -0.000 0.000 0.230 323 R C 2.329 178.572 176.300 -0.094 0.000 1.140 323 R CA 1.615 57.685 56.100 -0.050 0.000 0.928 323 R CB -0.267 29.908 30.300 -0.209 0.000 0.834 323 R HN 0.236 nan 8.270 nan 0.000 0.429 324 L N -1.491 119.604 121.223 -0.213 0.000 2.201 324 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 324 L C 0.418 176.790 176.870 -0.831 0.000 1.105 324 L CA 1.003 55.541 54.840 -0.503 0.000 0.775 324 L CB 0.010 41.825 42.059 -0.406 0.000 0.913 324 L HN 0.308 nan 8.230 nan 0.000 0.440 325 W N -0.197 121.008 121.300 -0.159 0.000 1.851 325 W HA 0.263 4.923 4.660 -0.000 0.000 0.303 325 W C -2.333 174.045 176.519 -0.236 0.000 0.969 325 W CA -1.614 55.518 57.345 -0.355 0.000 1.537 325 W CB 0.612 29.461 29.460 -1.019 0.000 1.682 325 W HN -0.251 nan 8.180 nan 0.000 0.367 326 P HA 0.032 nan 4.420 nan 0.000 0.271 326 P C 0.994 178.338 177.300 0.075 0.000 1.220 326 P CA 0.595 63.712 63.100 0.028 0.000 0.768 326 P CB 1.457 33.139 31.700 -0.030 0.000 0.848 327 T N -0.573 114.022 114.554 0.069 0.000 3.067 327 T HA 0.161 4.511 4.350 -0.000 0.000 0.257 327 T C 0.984 175.728 174.700 0.074 0.000 1.105 327 T CA 0.264 62.436 62.100 0.120 0.000 1.104 327 T CB -0.059 68.903 68.868 0.157 0.000 0.925 327 T HN 0.434 nan 8.240 nan 0.000 0.498 328 A N 3.325 126.169 122.820 0.040 0.000 2.838 328 A HA 0.572 4.892 4.320 -0.000 0.000 0.337 328 A C -1.495 176.136 177.584 0.078 0.000 1.383 328 A CA -1.512 50.562 52.037 0.062 0.000 0.985 328 A CB 0.512 19.548 19.000 0.060 0.000 1.157 328 A HN 0.280 nan 8.150 nan 0.000 0.497 329 P HA 0.273 nan 4.420 nan 0.000 0.253 329 P C 0.039 177.360 177.300 0.035 0.000 1.281 329 P CA 0.889 64.021 63.100 0.053 0.000 0.792 329 P CB 0.137 31.879 31.700 0.070 0.000 1.193 330 A N 0.116 122.986 122.820 0.084 0.000 2.565 330 A HA 0.597 4.917 4.320 -0.000 0.000 0.298 330 A C -1.283 176.386 177.584 0.142 0.000 1.062 330 A CA -0.729 51.323 52.037 0.025 0.000 0.723 330 A CB 0.409 19.416 19.000 0.011 0.000 1.282 330 A HN 0.089 nan 8.150 nan 0.000 0.400 331 F N 0.069 119.990 119.950 -0.048 0.000 2.603 331 F HA 0.914 5.441 4.527 -0.000 0.000 0.317 331 F C -0.035 175.699 175.800 -0.110 0.000 1.066 331 F CA -0.901 57.057 58.000 -0.070 0.000 0.941 331 F CB 1.784 40.752 39.000 -0.053 0.000 1.291 331 F HN 0.608 nan 8.300 nan 0.000 0.472 332 S N 1.803 117.535 115.700 0.054 0.000 2.503 332 S HA 0.869 5.339 4.470 -0.000 0.000 0.301 332 S C -1.230 173.369 174.600 -0.003 0.000 1.087 332 S CA -0.483 57.677 58.200 -0.067 0.000 1.042 332 S CB 0.955 64.099 63.200 -0.092 0.000 1.043 332 S HN 0.684 nan 8.310 nan 0.000 0.489 333 L N 3.848 125.040 121.223 -0.052 0.000 2.309 333 L HA 0.709 5.049 4.340 -0.000 0.000 0.261 333 L C -1.068 175.853 176.870 0.086 0.000 1.021 333 L CA -1.121 53.721 54.840 0.002 0.000 0.823 333 L CB 1.726 43.727 42.059 -0.096 0.000 1.366 333 L HN 0.799 nan 8.230 nan 0.000 0.423 334 Y N -0.207 120.137 120.300 0.072 0.000 2.512 334 Y HA 0.890 5.440 4.550 -0.000 0.000 0.348 334 Y C -0.437 175.599 175.900 0.228 0.000 0.990 334 Y CA -1.547 56.616 58.100 0.106 0.000 1.033 334 Y CB 1.450 39.965 38.460 0.091 0.000 1.259 334 Y HN 0.649 nan 8.280 nan 0.000 0.461 335 A N 3.973 126.997 122.820 0.341 0.000 2.409 335 A HA 0.293 4.612 4.320 -0.000 0.000 0.267 335 A C 0.603 178.238 177.584 0.085 0.000 1.127 335 A CA -0.571 51.614 52.037 0.246 0.000 0.795 335 A CB 0.324 19.472 19.000 0.246 0.000 1.061 335 A HN 1.008 nan 8.150 nan 0.000 0.502 336 K N 0.740 121.058 120.400 -0.136 0.000 2.103 336 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 336 K C 0.287 176.862 176.600 -0.042 0.000 1.052 336 K CA 1.103 57.333 56.287 -0.096 0.000 0.945 336 K CB 0.101 32.479 32.500 -0.203 0.000 0.722 336 K HN 0.750 nan 8.250 nan 0.000 0.443 337 E N 0.104 120.255 120.200 -0.081 0.000 2.458 337 E HA 0.138 4.488 4.350 -0.000 0.000 0.278 337 E C -1.471 175.102 176.600 -0.046 0.000 1.004 337 E CA -0.707 55.660 56.400 -0.055 0.000 0.823 337 E CB 1.148 30.804 29.700 -0.072 0.000 1.396 337 E HN -0.043 nan 8.360 nan 0.000 0.463 338 D N 1.037 121.421 120.400 -0.026 0.000 2.583 338 D HA 0.188 4.828 4.640 -0.000 0.000 0.232 338 D C -0.013 176.271 176.300 -0.028 0.000 1.128 338 D CA 1.144 55.137 54.000 -0.012 0.000 0.859 338 D CB 0.541 41.336 40.800 -0.009 0.000 1.169 338 D HN 0.220 nan 8.370 nan 0.000 0.481 339 T N 0.181 114.732 114.554 -0.006 0.000 2.786 339 T HA 0.425 4.775 4.350 -0.000 0.000 0.316 339 T C -1.621 173.103 174.700 0.039 0.000 1.503 339 T CA -0.664 61.428 62.100 -0.013 0.000 1.019 339 T CB 0.984 69.803 68.868 -0.081 0.000 1.415 339 T HN 0.001 nan 8.240 nan 0.000 0.496 340 V N 3.053 122.993 119.914 0.044 0.000 2.555 340 V HA 0.761 4.881 4.120 -0.000 0.000 0.302 340 V C -0.672 175.486 176.094 0.107 0.000 1.038 340 V CA -0.807 61.536 62.300 0.071 0.000 0.887 340 V CB 1.545 33.391 31.823 0.039 0.000 0.991 340 V HN 0.788 nan 8.190 nan 0.000 0.434 341 L N 3.778 125.092 121.223 0.152 0.000 2.333 341 L HA 0.819 5.159 4.340 -0.000 0.000 0.280 341 L C 0.810 177.802 176.870 0.204 0.000 1.004 341 L CA 0.991 55.941 54.840 0.182 0.000 0.820 341 L CB 1.460 43.628 42.059 0.181 0.000 1.247 341 L HN 0.939 nan 8.230 nan 0.000 0.416 342 G N 3.140 112.028 108.800 0.146 0.000 2.225 342 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.267 342 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.267 342 G C 1.073 176.020 174.900 0.079 0.000 1.024 342 G CA 0.876 46.055 45.100 0.131 0.000 0.784 342 G HN 1.894 nan 8.290 nan 0.000 0.507 343 G N -0.464 108.367 108.800 0.052 0.000 3.163 343 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.227 343 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.227 343 G C 1.224 176.095 174.900 -0.049 0.000 1.300 343 G CA 1.413 46.514 45.100 0.003 0.000 0.867 343 G HN 0.929 nan 8.290 nan 0.000 0.533 344 E N -0.393 119.729 120.200 -0.130 0.000 2.106 344 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 344 E C 0.229 176.553 176.600 -0.459 0.000 0.984 344 E CA 1.052 57.204 56.400 -0.413 0.000 0.806 344 E CB 0.016 29.227 29.700 -0.816 0.000 0.750 344 E HN 0.670 nan 8.360 nan 0.000 0.458 345 Y N 0.703 121.014 120.300 0.018 0.000 2.341 345 Y HA 0.354 4.904 4.550 -0.000 0.000 0.338 345 Y C -2.364 173.550 175.900 0.024 0.000 0.965 345 Y CA -3.365 54.746 58.100 0.019 0.000 1.108 345 Y CB 1.253 39.722 38.460 0.015 0.000 1.180 345 Y HN -0.090 nan 8.280 nan 0.000 0.458 346 P HA 0.428 nan 4.420 nan 0.000 0.286 346 P C -0.961 176.397 177.300 0.097 0.000 1.261 346 P CA -0.414 62.743 63.100 0.096 0.000 0.821 346 P CB 1.534 33.268 31.700 0.057 0.000 1.013 347 L N 1.161 122.435 121.223 0.085 0.000 2.371 347 L HA 0.504 4.844 4.340 -0.000 0.000 0.262 347 L C 0.364 177.270 176.870 0.060 0.000 1.006 347 L CA -0.818 54.070 54.840 0.080 0.000 0.818 347 L CB 2.301 44.430 42.059 0.116 0.000 1.354 347 L HN 0.255 nan 8.230 nan 0.000 0.415 348 E N 1.443 121.674 120.200 0.051 0.000 2.202 348 E HA 0.200 4.550 4.350 -0.000 0.000 0.272 348 E C -0.827 175.801 176.600 0.046 0.000 0.951 348 E CA -0.929 55.493 56.400 0.037 0.000 0.813 348 E CB 2.312 32.027 29.700 0.024 0.000 1.151 348 E HN 0.308 nan 8.360 nan 0.000 0.398 349 K N 1.099 121.519 120.400 0.033 0.000 2.440 349 K HA -0.101 4.219 4.320 -0.000 0.000 0.275 349 K C 0.538 177.168 176.600 0.051 0.000 1.082 349 K CA 1.329 57.642 56.287 0.042 0.000 1.135 349 K CB -0.283 32.225 32.500 0.013 0.000 0.864 349 K HN 0.826 nan 8.250 nan 0.000 0.479 350 G N 3.393 112.259 108.800 0.110 0.000 2.179 350 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.220 350 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.220 350 G C -0.350 174.601 174.900 0.085 0.000 0.990 350 G CA 0.024 45.173 45.100 0.082 0.000 0.646 350 G HN 0.707 nan 8.290 nan 0.000 0.517 351 D N 1.285 121.741 120.400 0.094 0.000 2.362 351 D HA 0.462 5.102 4.640 -0.000 0.000 0.242 351 D C 0.609 176.948 176.300 0.064 0.000 1.132 351 D CA 0.337 54.371 54.000 0.058 0.000 0.907 351 D CB 0.643 41.472 40.800 0.048 0.000 1.195 351 D HN 0.479 nan 8.370 nan 0.000 0.429 352 E N 0.685 120.880 120.200 -0.007 0.000 2.179 352 E HA 0.457 4.807 4.350 -0.000 0.000 0.275 352 E C -0.538 175.965 176.600 -0.163 0.000 0.945 352 E CA -0.640 55.726 56.400 -0.057 0.000 0.792 352 E CB 1.661 31.307 29.700 -0.089 0.000 1.125 352 E HN 0.225 nan 8.360 nan 0.000 0.397 353 L N 2.750 123.843 121.223 -0.217 0.000 2.346 353 L HA 0.493 4.833 4.340 -0.000 0.000 0.276 353 L C -0.456 176.187 176.870 -0.378 0.000 1.006 353 L CA -0.942 53.698 54.840 -0.334 0.000 0.817 353 L CB 1.395 43.218 42.059 -0.392 0.000 1.272 353 L HN 0.352 nan 8.230 nan 0.000 0.421 354 M N 3.198 122.499 119.600 -0.498 0.000 2.227 354 M HA 0.376 4.856 4.480 -0.000 0.000 0.335 354 M C -0.726 175.331 176.300 -0.406 0.000 1.053 354 M CA -0.802 54.204 55.300 -0.489 0.000 0.973 354 M CB 1.809 33.955 32.600 -0.758 0.000 1.623 354 M HN 0.171 nan 8.290 nan 0.000 0.434 355 V N 5.642 125.266 119.914 -0.485 0.000 2.385 355 V HA 0.255 4.375 4.120 -0.000 0.000 0.269 355 V C -0.160 175.725 176.094 -0.348 0.000 1.043 355 V CA -0.769 61.222 62.300 -0.515 0.000 0.906 355 V CB 1.085 32.344 31.823 -0.941 0.000 0.995 355 V HN 0.656 nan 8.190 nan 0.000 0.467 356 L N 6.774 127.881 121.223 -0.194 0.000 2.288 356 L HA 0.433 4.773 4.340 -0.000 0.000 0.283 356 L C 0.940 177.714 176.870 -0.160 0.000 1.072 356 L CA 0.559 55.330 54.840 -0.116 0.000 0.862 356 L CB 0.272 42.304 42.059 -0.044 0.000 1.245 356 L HN 0.589 nan 8.230 nan 0.000 0.432 357 I N 4.851 125.307 120.570 -0.189 0.000 2.252 357 I HA -0.089 4.081 4.170 -0.000 0.000 0.245 357 I C -0.562 175.305 176.117 -0.415 0.000 1.102 357 I CA 0.710 61.822 61.300 -0.314 0.000 1.385 357 I CB -1.309 36.523 38.000 -0.280 0.000 1.064 357 I HN 0.503 nan 8.210 nan 0.000 0.414 358 P HA -0.165 nan 4.420 nan 0.000 0.219 358 P C 1.544 178.724 177.300 -0.200 0.000 1.146 358 P CA 1.282 64.231 63.100 -0.252 0.000 0.808 358 P CB -0.055 31.532 31.700 -0.189 0.000 0.779 359 Q N -1.120 118.598 119.800 -0.137 0.000 2.123 359 Q HA -0.038 4.301 4.340 -0.000 0.000 0.196 359 Q C 2.147 178.133 176.000 -0.023 0.000 0.958 359 Q CA 0.641 56.403 55.803 -0.069 0.000 0.841 359 Q CB -1.239 27.480 28.738 -0.031 0.000 0.915 359 Q HN 0.198 nan 8.270 nan 0.000 0.455 360 L N 1.319 122.513 121.223 -0.047 0.000 2.011 360 L HA -0.276 4.064 4.340 -0.000 0.000 0.225 360 L C 1.920 178.932 176.870 0.238 0.000 1.084 360 L CA 2.077 56.951 54.840 0.056 0.000 0.791 360 L CB -0.840 41.214 42.059 -0.009 0.000 0.898 360 L HN 0.344 nan 8.230 nan 0.000 0.440 361 H N -1.638 117.472 119.070 0.068 0.000 2.567 361 H HA 0.022 4.578 4.556 -0.000 0.000 0.276 361 H C 1.156 176.354 175.328 -0.215 0.000 1.016 361 H CA 0.191 56.216 56.048 -0.038 0.000 1.186 361 H CB 0.054 29.712 29.762 -0.172 0.000 1.351 361 H HN 0.344 nan 8.280 nan 0.000 0.605 362 R N 0.801 121.318 120.500 0.027 0.000 2.507 362 R HA 0.011 4.351 4.340 -0.000 0.000 0.298 362 R C -0.336 176.032 176.300 0.114 0.000 0.999 362 R CA -0.215 55.875 56.100 -0.017 0.000 1.082 362 R CB 0.474 30.732 30.300 -0.070 0.000 1.246 362 R HN 0.106 nan 8.270 nan 0.000 0.553 363 D N 1.342 121.902 120.400 0.266 0.000 2.359 363 D HA 0.005 4.645 4.640 -0.000 0.000 0.250 363 D C 0.510 176.957 176.300 0.244 0.000 1.264 363 D CA 0.301 54.443 54.000 0.238 0.000 0.911 363 D CB 0.777 41.714 40.800 0.228 0.000 1.056 363 D HN -0.018 nan 8.370 nan 0.000 0.499 364 K N 1.054 121.540 120.400 0.144 0.000 2.218 364 K HA -0.155 4.164 4.320 -0.000 0.000 0.205 364 K C 1.724 178.366 176.600 0.070 0.000 1.046 364 K CA 1.537 57.890 56.287 0.110 0.000 0.933 364 K CB -0.095 32.445 32.500 0.067 0.000 0.728 364 K HN 0.495 nan 8.250 nan 0.000 0.454 365 T N -1.327 113.255 114.554 0.046 0.000 3.227 365 T HA 0.052 4.402 4.350 -0.000 0.000 0.257 365 T C 1.264 175.932 174.700 -0.053 0.000 1.162 365 T CA 0.406 62.507 62.100 0.002 0.000 1.051 365 T CB 0.016 68.886 68.868 0.004 0.000 0.953 365 T HN 0.023 nan 8.240 nan 0.000 0.535 366 I N -2.455 118.062 120.570 -0.087 0.000 4.922 366 I HA 0.305 4.475 4.170 -0.000 0.000 0.331 366 I C 0.715 176.554 176.117 -0.465 0.000 1.260 366 I CA 0.030 61.142 61.300 -0.313 0.000 1.366 366 I CB 0.021 37.761 38.000 -0.433 0.000 1.386 366 I HN 0.328 nan 8.210 nan 0.000 0.483 367 W N 1.934 123.205 121.300 -0.048 0.000 2.873 367 W HA 0.510 5.170 4.660 -0.000 0.000 0.282 367 W C 1.292 177.772 176.519 -0.066 0.000 1.118 367 W CA 0.737 58.036 57.345 -0.077 0.000 1.480 367 W CB 0.706 30.121 29.460 -0.076 0.000 0.954 367 W HN 0.152 nan 8.180 nan 0.000 0.591 368 G N 1.056 109.936 108.800 0.133 0.000 2.549 368 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.404 368 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.404 368 G C -0.230 174.715 174.900 0.075 0.000 1.292 368 G CA -0.127 45.017 45.100 0.074 0.000 0.935 368 G HN -0.023 nan 8.290 nan 0.000 0.512 369 D N 0.409 120.836 120.400 0.046 0.000 2.149 369 D HA 0.052 4.692 4.640 -0.000 0.000 0.201 369 D C 1.742 178.060 176.300 0.029 0.000 0.972 369 D CA 1.578 55.600 54.000 0.036 0.000 0.835 369 D CB -0.058 40.758 40.800 0.025 0.000 0.966 369 D HN 0.608 nan 8.370 nan 0.000 0.476 370 D N 0.903 121.319 120.400 0.026 0.000 2.856 370 D HA -0.062 4.578 4.640 -0.000 0.000 0.242 370 D C 1.614 177.909 176.300 -0.008 0.000 1.226 370 D CA -0.033 53.974 54.000 0.013 0.000 0.855 370 D CB -0.350 40.458 40.800 0.013 0.000 1.065 370 D HN 0.178 nan 8.370 nan 0.000 0.462 371 V N -2.212 117.696 119.914 -0.010 0.000 2.626 371 V HA -0.142 3.978 4.120 -0.000 0.000 0.252 371 V C 1.645 177.683 176.094 -0.094 0.000 1.067 371 V CA 1.052 63.315 62.300 -0.062 0.000 1.081 371 V CB -0.481 31.315 31.823 -0.046 0.000 0.686 371 V HN 0.059 nan 8.190 nan 0.000 0.468 372 E N 0.692 120.864 120.200 -0.047 0.000 2.502 372 E HA 0.119 4.469 4.350 -0.000 0.000 0.194 372 E C 0.573 177.171 176.600 -0.003 0.000 1.062 372 E CA 0.119 56.500 56.400 -0.031 0.000 0.867 372 E CB 0.061 29.764 29.700 0.006 0.000 0.888 372 E HN 0.762 nan 8.360 nan 0.000 0.510 373 E N 0.166 120.356 120.200 -0.017 0.000 2.277 373 E HA 0.183 4.532 4.350 -0.000 0.000 0.274 373 E C -0.711 175.873 176.600 -0.027 0.000 1.022 373 E CA -0.665 55.743 56.400 0.014 0.000 0.853 373 E CB 1.174 30.887 29.700 0.021 0.000 1.086 373 E HN -0.074 nan 8.360 nan 0.000 0.397 374 F N 2.577 122.434 119.950 -0.155 0.000 2.390 374 F HA 0.235 4.762 4.527 -0.000 0.000 0.361 374 F C 0.229 175.952 175.800 -0.127 0.000 1.124 374 F CA -0.188 57.654 58.000 -0.264 0.000 1.149 374 F CB 0.351 39.108 39.000 -0.405 0.000 1.160 374 F HN 0.228 nan 8.300 nan 0.000 0.501 375 R N 7.741 127.976 120.500 -0.442 0.000 2.984 375 R HA 0.273 4.613 4.340 -0.000 0.000 0.252 375 R C -2.355 173.774 176.300 -0.285 0.000 1.842 375 R CA -1.359 54.598 56.100 -0.238 0.000 1.389 375 R CB 0.826 31.070 30.300 -0.094 0.000 1.454 375 R HN 0.295 nan 8.270 nan 0.000 0.578 376 P HA -0.183 nan 4.420 nan 0.000 0.219 376 P C 0.350 177.605 177.300 -0.076 0.000 1.144 376 P CA 1.164 64.071 63.100 -0.321 0.000 0.806 376 P CB 0.435 31.825 31.700 -0.516 0.000 0.771 377 E N -0.345 119.850 120.200 -0.008 0.000 2.097 377 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 377 E C 1.963 178.579 176.600 0.026 0.000 1.000 377 E CA 1.007 57.444 56.400 0.062 0.000 0.804 377 E CB -0.631 29.114 29.700 0.076 0.000 0.740 377 E HN 0.224 nan 8.360 nan 0.000 0.454 378 R N -0.641 119.842 120.500 -0.029 0.000 2.228 378 R HA -0.228 4.112 4.340 -0.000 0.000 0.264 378 R C 1.423 177.590 176.300 -0.222 0.000 1.179 378 R CA 1.586 57.609 56.100 -0.129 0.000 0.998 378 R CB -0.547 29.623 30.300 -0.217 0.000 0.885 378 R HN 0.235 nan 8.270 nan 0.000 0.466 379 F N 0.387 120.277 119.950 -0.099 0.000 2.732 379 F HA 0.089 4.616 4.527 -0.000 0.000 0.303 379 F C 1.684 177.449 175.800 -0.059 0.000 1.110 379 F CA 0.071 58.008 58.000 -0.106 0.000 1.355 379 F CB 0.154 39.053 39.000 -0.168 0.000 1.081 379 F HN -0.017 nan 8.300 nan 0.000 0.565 380 E N 0.217 120.466 120.200 0.081 0.000 2.233 380 E HA -0.247 4.103 4.350 -0.000 0.000 0.199 380 E C 0.342 176.965 176.600 0.038 0.000 1.004 380 E CA 0.997 57.435 56.400 0.064 0.000 0.819 380 E CB -0.125 29.606 29.700 0.051 0.000 0.738 380 E HN 0.151 nan 8.360 nan 0.000 0.478 381 N N -0.836 117.867 118.700 0.006 0.000 2.607 381 N HA 0.099 4.839 4.740 -0.000 0.000 0.271 381 N C -2.180 173.315 175.510 -0.026 0.000 1.142 381 N CA -1.491 51.555 53.050 -0.006 0.000 0.810 381 N CB 1.115 39.590 38.487 -0.019 0.000 1.306 381 N HN -0.287 nan 8.380 nan 0.000 0.536 382 P HA -0.271 nan 4.420 nan 0.000 0.224 382 P C 0.938 178.225 177.300 -0.022 0.000 1.153 382 P CA 1.538 64.643 63.100 0.009 0.000 0.947 382 P CB 0.126 31.846 31.700 0.033 0.000 0.790 383 S N -0.172 115.514 115.700 -0.023 0.000 2.383 383 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 383 S C 1.930 176.492 174.600 -0.064 0.000 1.030 383 S CA 1.225 59.405 58.200 -0.034 0.000 1.002 383 S CB -0.925 62.261 63.200 -0.024 0.000 0.829 383 S HN 0.331 nan 8.310 nan 0.000 0.467 384 A N 0.637 123.407 122.820 -0.083 0.000 2.258 384 A HA 0.217 4.537 4.320 -0.000 0.000 0.206 384 A C 0.381 177.852 177.584 -0.189 0.000 1.222 384 A CA 0.285 52.249 52.037 -0.121 0.000 0.822 384 A CB -0.370 18.561 19.000 -0.115 0.000 0.804 384 A HN 0.297 nan 8.150 nan 0.000 0.483 385 I N 1.584 122.048 120.570 -0.177 0.000 2.330 385 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 385 I C -2.393 173.634 176.117 -0.149 0.000 1.025 385 I CA -3.078 58.086 61.300 -0.226 0.000 1.197 385 I CB 0.657 38.550 38.000 -0.178 0.000 1.358 385 I HN 0.005 nan 8.210 nan 0.000 0.467 386 P HA 0.107 nan 4.420 nan 0.000 0.269 386 P C -0.079 177.189 177.300 -0.053 0.000 1.209 386 P CA -0.357 62.681 63.100 -0.103 0.000 0.776 386 P CB 0.539 32.171 31.700 -0.114 0.000 0.876 387 Q N 1.449 121.218 119.800 -0.051 0.000 2.352 387 Q HA -0.168 4.172 4.340 -0.000 0.000 0.326 387 Q C -0.000 176.003 176.000 0.005 0.000 1.135 387 Q CA 0.763 56.505 55.803 -0.102 0.000 1.000 387 Q CB -0.306 28.326 28.738 -0.177 0.000 1.237 387 Q HN 0.552 nan 8.270 nan 0.000 0.409 388 H N 0.007 119.148 119.070 0.119 0.000 2.921 388 H HA -0.288 4.268 4.556 -0.000 0.000 0.281 388 H C 0.390 175.819 175.328 0.167 0.000 1.165 388 H CA 0.369 56.503 56.048 0.143 0.000 1.151 388 H CB -1.359 28.469 29.762 0.109 0.000 1.311 388 H HN 0.585 nan 8.280 nan 0.000 0.361 389 A N -0.266 122.710 122.820 0.261 0.000 2.169 389 A HA 0.288 4.608 4.320 -0.000 0.000 0.210 389 A C 0.275 178.218 177.584 0.599 0.000 1.168 389 A CA 0.240 52.458 52.037 0.302 0.000 0.813 389 A CB 0.493 19.525 19.000 0.053 0.000 0.861 389 A HN 0.235 nan 8.150 nan 0.000 0.481 390 F N 1.005 121.178 119.950 0.372 0.000 2.434 390 F HA 0.480 5.007 4.527 -0.000 0.000 0.355 390 F C -0.022 176.015 175.800 0.394 0.000 1.115 390 F CA -0.984 57.258 58.000 0.404 0.000 1.010 390 F CB 1.349 40.557 39.000 0.345 0.000 1.234 390 F HN -0.094 nan 8.300 nan 0.000 0.439 391 K N 6.889 127.442 120.400 0.255 0.000 3.123 391 K HA 0.197 4.516 4.320 -0.000 0.000 0.209 391 K C -2.120 174.481 176.600 0.003 0.000 1.132 391 K CA -1.024 55.363 56.287 0.166 0.000 0.992 391 K CB 0.799 33.482 32.500 0.306 0.000 0.773 391 K HN 0.344 nan 8.250 nan 0.000 0.458 392 P HA -0.111 nan 4.420 nan 0.000 0.221 392 P C 0.456 177.463 177.300 -0.488 0.000 1.145 392 P CA 1.000 63.854 63.100 -0.410 0.000 0.795 392 P CB 0.013 31.302 31.700 -0.685 0.000 0.775 393 F N -0.462 119.468 119.950 -0.033 0.000 2.647 393 F HA 0.448 4.975 4.527 -0.000 0.000 0.300 393 F C 1.774 177.510 175.800 -0.106 0.000 1.106 393 F CA 0.441 58.424 58.000 -0.027 0.000 1.313 393 F CB -0.109 38.898 39.000 0.010 0.000 1.007 393 F HN 0.062 nan 8.300 nan 0.000 0.536 394 G N 1.426 110.158 108.800 -0.114 0.000 2.527 394 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.227 394 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.227 394 G C -1.012 173.721 174.900 -0.279 0.000 1.291 394 G CA -0.381 44.400 45.100 -0.532 0.000 0.904 394 G HN 0.479 nan 8.290 nan 0.000 0.577 395 N N -0.311 118.212 118.700 -0.295 0.000 2.324 395 N HA 0.654 5.394 4.740 -0.000 0.000 0.285 395 N C 0.516 176.026 175.510 -0.001 0.000 1.076 395 N CA 1.463 54.484 53.050 -0.048 0.000 0.864 395 N CB 1.493 39.998 38.487 0.029 0.000 1.632 395 N HN 2.458 nan 8.380 nan 0.000 0.478 396 G N 1.664 110.508 108.800 0.073 0.000 2.564 396 G HA2 -0.392 3.567 3.960 -0.000 0.000 0.273 396 G HA3 -0.392 3.567 3.960 -0.000 0.000 0.273 396 G C 0.623 175.567 174.900 0.074 0.000 1.242 396 G CA 0.581 45.728 45.100 0.077 0.000 0.951 396 G HN 0.738 nan 8.290 nan 0.000 0.564 397 Q N -0.409 119.432 119.800 0.067 0.000 2.376 397 Q HA -0.105 4.235 4.340 -0.000 0.000 0.211 397 Q C 1.646 177.720 176.000 0.124 0.000 0.986 397 Q CA 1.499 57.359 55.803 0.094 0.000 0.886 397 Q CB -0.052 28.722 28.738 0.060 0.000 0.927 397 Q HN 0.401 nan 8.270 nan 0.000 0.457 398 R N -0.505 120.021 120.500 0.042 0.000 2.652 398 R HA 0.356 4.696 4.340 -0.000 0.000 0.372 398 R C -0.438 175.877 176.300 0.024 0.000 1.104 398 R CA 0.204 56.331 56.100 0.044 0.000 1.072 398 R CB 0.343 30.582 30.300 -0.101 0.000 1.367 398 R HN 0.113 nan 8.270 nan 0.000 0.577 399 A N 0.342 123.192 122.820 0.050 0.000 2.346 399 A HA 0.095 4.415 4.320 -0.000 0.000 0.252 399 A C 0.354 177.992 177.584 0.090 0.000 1.089 399 A CA -0.382 51.678 52.037 0.039 0.000 0.797 399 A CB 0.395 19.431 19.000 0.060 0.000 1.047 399 A HN 0.488 nan 8.150 nan 0.000 0.494 400 C N 2.389 121.754 119.300 0.108 0.000 2.409 400 C HA -0.013 4.447 4.460 -0.000 0.000 0.399 400 C C 1.766 176.759 174.990 0.005 0.000 1.505 400 C CA 0.405 59.488 59.018 0.109 0.000 1.435 400 C CB -2.246 25.638 27.740 0.239 0.000 2.462 400 C HN 0.752 nan 8.230 nan 0.000 0.619 401 I N 4.543 125.095 120.570 -0.030 0.000 2.756 401 I HA 0.024 4.194 4.170 -0.000 0.000 0.262 401 I C 1.961 177.781 176.117 -0.494 0.000 1.225 401 I CA 1.644 62.827 61.300 -0.195 0.000 1.472 401 I CB -0.026 37.875 38.000 -0.165 0.000 1.094 401 I HN 0.907 nan 8.210 nan 0.000 0.454 402 G N -0.338 108.262 108.800 -0.334 0.000 3.434 402 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.258 402 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.258 402 G C 1.107 175.976 174.900 -0.051 0.000 1.128 402 G CA -0.212 44.728 45.100 -0.266 0.000 0.792 402 G HN 0.380 nan 8.290 nan 0.000 0.539 403 Q N 0.054 119.737 119.800 -0.196 0.000 2.029 403 Q HA -0.229 4.111 4.340 -0.000 0.000 0.209 403 Q C 2.375 178.269 176.000 -0.177 0.000 0.999 403 Q CA 1.777 57.299 55.803 -0.468 0.000 0.857 403 Q CB 0.029 28.336 28.738 -0.718 0.000 0.926 403 Q HN 0.376 nan 8.270 nan 0.000 0.415 404 Q N -0.628 119.168 119.800 -0.007 0.000 2.167 404 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 404 Q C 1.884 178.029 176.000 0.243 0.000 0.970 404 Q CA 0.945 56.810 55.803 0.104 0.000 0.855 404 Q CB -0.404 28.406 28.738 0.119 0.000 0.911 404 Q HN 0.411 nan 8.270 nan 0.000 0.438 405 F N 1.588 121.659 119.950 0.201 0.000 2.126 405 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 405 F C 2.180 178.108 175.800 0.213 0.000 1.096 405 F CA 1.446 59.603 58.000 0.261 0.000 1.255 405 F CB -0.235 38.960 39.000 0.326 0.000 0.997 405 F HN 0.062 nan 8.300 nan 0.000 0.479 406 A N 0.061 123.157 122.820 0.460 0.000 1.898 406 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 406 A C 2.263 179.999 177.584 0.253 0.000 1.181 406 A CA 1.582 53.842 52.037 0.372 0.000 0.620 406 A CB -0.984 18.234 19.000 0.363 0.000 0.819 406 A HN 0.462 nan 8.150 nan 0.000 0.442 407 L N -1.901 119.452 121.223 0.217 0.000 2.131 407 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 407 L C 2.592 179.557 176.870 0.158 0.000 1.087 407 L CA 1.319 56.268 54.840 0.181 0.000 0.767 407 L CB -0.634 41.517 42.059 0.153 0.000 0.917 407 L HN 0.522 nan 8.230 nan 0.000 0.441 408 H N 0.626 119.716 119.070 0.033 0.000 2.251 408 H HA -0.275 4.281 4.556 -0.000 0.000 0.294 408 H C 2.198 177.510 175.328 -0.027 0.000 1.078 408 H CA 2.359 58.396 56.048 -0.019 0.000 1.246 408 H CB -0.024 29.714 29.762 -0.040 0.000 1.358 408 H HN 0.276 nan 8.280 nan 0.000 0.488 409 E N -0.450 119.706 120.200 -0.073 0.000 2.070 409 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 409 E C 2.241 178.815 176.600 -0.044 0.000 1.004 409 E CA 1.247 57.578 56.400 -0.115 0.000 0.805 409 E CB -0.289 29.384 29.700 -0.044 0.000 0.744 409 E HN 0.572 nan 8.360 nan 0.000 0.451 410 A N -0.004 122.837 122.820 0.035 0.000 1.930 410 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 410 A C 2.342 179.953 177.584 0.044 0.000 1.175 410 A CA 1.897 53.974 52.037 0.067 0.000 0.627 410 A CB -0.716 18.357 19.000 0.122 0.000 0.815 410 A HN 0.370 nan 8.150 nan 0.000 0.443 411 T N 0.355 114.923 114.554 0.024 0.000 2.770 411 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 411 T C 1.849 176.543 174.700 -0.010 0.000 1.039 411 T CA 1.278 63.391 62.100 0.021 0.000 1.142 411 T CB -0.524 68.360 68.868 0.027 0.000 0.868 411 T HN 0.337 nan 8.240 nan 0.000 0.435 412 L N 2.067 123.236 121.223 -0.090 0.000 1.963 412 L HA -0.139 4.201 4.340 -0.000 0.000 0.220 412 L C 2.413 179.263 176.870 -0.033 0.000 1.076 412 L CA 1.862 56.641 54.840 -0.101 0.000 0.772 412 L CB -1.174 40.745 42.059 -0.233 0.000 0.892 412 L HN 0.128 nan 8.230 nan 0.000 0.435 413 V N -0.568 119.328 119.914 -0.030 0.000 2.343 413 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 413 V C 2.563 178.692 176.094 0.057 0.000 1.051 413 V CA 1.659 63.960 62.300 0.001 0.000 1.036 413 V CB -0.825 30.995 31.823 -0.005 0.000 0.654 413 V HN 0.547 nan 8.190 nan 0.000 0.451 414 L N 1.433 122.700 121.223 0.073 0.000 2.083 414 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 414 L C 2.305 179.260 176.870 0.141 0.000 1.083 414 L CA 2.278 57.184 54.840 0.111 0.000 0.752 414 L CB -1.365 40.757 42.059 0.106 0.000 0.899 414 L HN 0.286 nan 8.230 nan 0.000 0.433 415 G N -1.049 107.819 108.800 0.113 0.000 2.402 415 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 415 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 415 G C 1.566 176.559 174.900 0.155 0.000 1.162 415 G CA 0.932 46.105 45.100 0.121 0.000 0.777 415 G HN 0.379 nan 8.290 nan 0.000 0.539 416 M N -0.190 119.504 119.600 0.155 0.000 2.080 416 M HA -0.033 4.447 4.480 -0.000 0.000 0.260 416 M C 2.761 179.272 176.300 0.352 0.000 1.068 416 M CA 1.560 57.001 55.300 0.234 0.000 1.109 416 M CB -0.369 32.321 32.600 0.151 0.000 1.342 416 M HN 0.192 nan 8.290 nan 0.000 0.405 417 M N -0.172 119.630 119.600 0.337 0.000 2.106 417 M HA -0.248 4.231 4.480 -0.000 0.000 0.259 417 M C 2.005 178.695 176.300 0.649 0.000 1.068 417 M CA 1.674 57.304 55.300 0.549 0.000 1.100 417 M CB -0.383 32.487 32.600 0.451 0.000 1.351 417 M HN 0.297 nan 8.290 nan 0.000 0.404 418 L N -0.838 120.646 121.223 0.434 0.000 2.249 418 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 418 L C 2.455 179.478 176.870 0.256 0.000 1.090 418 L CA 0.730 55.810 54.840 0.400 0.000 0.802 418 L CB -0.475 41.755 42.059 0.286 0.000 0.947 418 L HN 0.266 nan 8.230 nan 0.000 0.453 419 K N -0.461 120.041 120.400 0.169 0.000 2.103 419 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 419 K C 1.864 178.382 176.600 -0.137 0.000 1.048 419 K CA 1.419 57.704 56.287 -0.004 0.000 0.930 419 K CB 0.007 32.459 32.500 -0.079 0.000 0.716 419 K HN 0.423 nan 8.250 nan 0.000 0.444 420 H N -1.749 117.294 119.070 -0.044 0.000 2.592 420 H HA 0.152 4.708 4.556 -0.000 0.000 0.265 420 H C -0.241 174.670 175.328 -0.695 0.000 0.955 420 H CA 0.349 56.157 56.048 -0.401 0.000 1.175 420 H CB 0.448 29.854 29.762 -0.593 0.000 1.433 420 H HN 0.038 nan 8.280 nan 0.000 0.537 421 F N 0.045 120.020 119.950 0.041 0.000 2.643 421 F HA 0.320 4.847 4.527 -0.000 0.000 0.314 421 F C -0.482 175.132 175.800 -0.311 0.000 1.096 421 F CA -1.349 56.524 58.000 -0.212 0.000 0.953 421 F CB 1.544 40.257 39.000 -0.477 0.000 1.345 421 F HN -0.262 nan 8.300 nan 0.000 0.468 422 D N 1.071 121.373 120.400 -0.162 0.000 2.217 422 D HA 0.417 5.057 4.640 -0.000 0.000 0.243 422 D C -1.106 175.017 176.300 -0.295 0.000 1.054 422 D CA -0.075 53.848 54.000 -0.129 0.000 0.838 422 D CB 1.691 42.479 40.800 -0.021 0.000 1.162 422 D HN 0.144 nan 8.370 nan 0.000 0.472 423 F N 0.827 120.830 119.950 0.088 0.000 2.458 423 F HA 0.307 4.834 4.527 -0.000 0.000 0.330 423 F C 0.881 176.700 175.800 0.031 0.000 1.082 423 F CA -0.817 57.203 58.000 0.032 0.000 0.995 423 F CB 1.675 40.695 39.000 0.034 0.000 1.170 423 F HN 0.140 nan 8.300 nan 0.000 0.478 424 E N 1.583 121.887 120.200 0.173 0.000 2.224 424 E HA 0.135 4.485 4.350 -0.000 0.000 0.265 424 E C -1.284 175.417 176.600 0.169 0.000 0.878 424 E CA -0.666 55.815 56.400 0.136 0.000 0.759 424 E CB 1.436 31.185 29.700 0.082 0.000 1.164 424 E HN 0.557 nan 8.360 nan 0.000 0.414 425 D N 3.434 123.921 120.400 0.145 0.000 2.982 425 D HA -0.022 4.618 4.640 -0.000 0.000 0.238 425 D C 1.138 177.485 176.300 0.078 0.000 1.168 425 D CA 0.129 54.203 54.000 0.123 0.000 0.947 425 D CB -0.528 40.334 40.800 0.104 0.000 1.147 425 D HN 0.673 nan 8.370 nan 0.000 0.450 426 H N -1.965 117.112 119.070 0.013 0.000 2.466 426 H HA -0.181 4.375 4.556 -0.000 0.000 0.297 426 H C 1.436 176.765 175.328 0.001 0.000 1.113 426 H CA 1.961 58.007 56.048 -0.004 0.000 1.273 426 H CB -0.282 29.460 29.762 -0.032 0.000 1.371 426 H HN 0.172 nan 8.280 nan 0.000 0.528 427 T N -3.555 110.766 114.554 -0.387 0.000 3.040 427 T HA 0.022 4.372 4.350 -0.000 0.000 0.250 427 T C 0.678 175.344 174.700 -0.057 0.000 1.058 427 T CA 0.112 62.068 62.100 -0.240 0.000 0.988 427 T CB -0.277 68.401 68.868 -0.316 0.000 0.993 427 T HN 0.515 nan 8.240 nan 0.000 0.519 428 N N 1.170 119.868 118.700 -0.003 0.000 2.671 428 N HA -0.229 4.510 4.740 -0.000 0.000 0.261 428 N C -0.525 175.029 175.510 0.073 0.000 1.053 428 N CA 0.164 53.238 53.050 0.039 0.000 0.732 428 N CB -2.218 36.279 38.487 0.016 0.000 0.887 428 N HN 0.778 nan 8.380 nan 0.000 0.546 429 Y N 0.760 121.062 120.300 0.004 0.000 2.610 429 Y HA 0.201 4.751 4.550 -0.000 0.000 0.332 429 Y C 0.655 176.584 175.900 0.049 0.000 1.201 429 Y CA 0.000 58.119 58.100 0.032 0.000 1.465 429 Y CB 0.569 39.102 38.460 0.122 0.000 1.283 429 Y HN 0.329 nan 8.280 nan 0.000 0.563 430 E N 6.327 126.155 120.200 -0.620 0.000 2.134 430 E HA 0.222 4.572 4.350 -0.000 0.000 0.278 430 E C -1.294 174.678 176.600 -1.047 0.000 0.959 430 E CA -1.153 54.878 56.400 -0.615 0.000 0.783 430 E CB 0.738 30.260 29.700 -0.297 0.000 1.095 430 E HN 0.737 nan 8.360 nan 0.000 0.399 431 L N 5.062 125.829 121.223 -0.759 0.000 2.615 431 L HA 0.031 4.371 4.340 -0.000 0.000 0.271 431 L C -0.759 175.864 176.870 -0.412 0.000 1.183 431 L CA 1.016 55.455 54.840 -0.668 0.000 0.933 431 L CB 0.305 42.044 42.059 -0.534 0.000 1.199 431 L HN 0.443 nan 8.230 nan 0.000 0.487 432 D N 5.741 125.967 120.400 -0.291 0.000 2.421 432 D HA 0.295 4.935 4.640 -0.000 0.000 0.254 432 D C -0.632 175.567 176.300 -0.170 0.000 1.238 432 D CA -0.269 53.627 54.000 -0.174 0.000 0.919 432 D CB 0.579 41.329 40.800 -0.084 0.000 1.152 432 D HN 0.430 nan 8.370 nan 0.000 0.552 433 I N 2.880 123.321 120.570 -0.215 0.000 2.342 433 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 433 I C 0.662 176.689 176.117 -0.149 0.000 1.010 433 I CA -0.599 60.562 61.300 -0.232 0.000 1.308 433 I CB 1.220 39.004 38.000 -0.359 0.000 1.400 433 I HN 0.091 nan 8.210 nan 0.000 0.488 434 K N 6.675 127.002 120.400 -0.122 0.000 2.138 434 K HA 0.418 4.738 4.320 -0.000 0.000 0.263 434 K C -0.690 175.878 176.600 -0.054 0.000 0.965 434 K CA -0.535 55.706 56.287 -0.076 0.000 0.868 434 K CB 1.331 33.791 32.500 -0.065 0.000 1.083 434 K HN 0.562 nan 8.250 nan 0.000 0.443 435 E N 1.917 122.098 120.200 -0.033 0.000 2.187 435 E HA 0.196 4.546 4.350 -0.000 0.000 0.268 435 E C -0.870 175.731 176.600 0.001 0.000 0.896 435 E CA -0.691 55.703 56.400 -0.011 0.000 0.766 435 E CB 1.947 31.642 29.700 -0.007 0.000 1.142 435 E HN 0.692 nan 8.360 nan 0.000 0.408 436 T N 0.470 115.032 114.554 0.014 0.000 4.003 436 T HA 0.266 4.616 4.350 -0.000 0.000 0.239 436 T C 0.786 175.512 174.700 0.045 0.000 0.992 436 T CA -0.381 61.734 62.100 0.026 0.000 1.317 436 T CB -0.554 68.326 68.868 0.019 0.000 0.940 436 T HN 0.613 nan 8.240 nan 0.000 0.593 437 L N -0.753 120.500 121.223 0.050 0.000 3.363 437 L HA -0.269 4.071 4.340 -0.000 0.000 0.346 437 L C 1.313 178.219 176.870 0.060 0.000 3.762 437 L CA 2.107 56.986 54.840 0.066 0.000 1.796 437 L CB -2.673 39.441 42.059 0.092 0.000 3.000 437 L HN 0.761 nan 8.230 nan 0.000 0.779 438 T N 0.156 114.737 114.554 0.046 0.000 2.788 438 T HA 0.672 5.022 4.350 -0.000 0.000 0.280 438 T C -0.207 174.518 174.700 0.042 0.000 0.984 438 T CA -0.744 61.381 62.100 0.041 0.000 0.972 438 T CB 1.778 70.654 68.868 0.013 0.000 1.039 438 T HN 0.238 nan 8.240 nan 0.000 0.530 439 L N 0.218 121.482 121.223 0.069 0.000 2.354 439 L HA 0.752 5.092 4.340 -0.000 0.000 0.269 439 L C -0.010 176.910 176.870 0.083 0.000 1.005 439 L CA -1.027 53.861 54.840 0.080 0.000 0.819 439 L CB 2.065 44.205 42.059 0.136 0.000 1.311 439 L HN 0.683 nan 8.230 nan 0.000 0.423 440 K N 1.639 122.013 120.400 -0.043 0.000 2.578 440 K HA 0.383 4.703 4.320 -0.000 0.000 0.269 440 K C -2.812 173.547 176.600 -0.402 0.000 0.941 440 K CA -1.614 54.508 56.287 -0.275 0.000 0.847 440 K CB 2.931 35.328 32.500 -0.172 0.000 1.397 440 K HN 0.174 nan 8.250 nan 0.000 0.422 441 P HA 0.043 nan 4.420 nan 0.000 0.268 441 P C -1.234 175.940 177.300 -0.210 0.000 1.205 441 P CA -0.012 62.822 63.100 -0.443 0.000 0.771 441 P CB 0.635 32.007 31.700 -0.547 0.000 0.858 442 E N 0.992 121.137 120.200 -0.091 0.000 2.227 442 E HA 0.451 4.801 4.350 -0.000 0.000 0.268 442 E C 0.693 177.315 176.600 0.037 0.000 0.907 442 E CA -0.610 55.769 56.400 -0.035 0.000 0.786 442 E CB 0.667 30.350 29.700 -0.030 0.000 1.191 442 E HN 0.644 nan 8.360 nan 0.000 0.411 443 G N 3.206 112.005 108.800 -0.002 0.000 2.196 443 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.268 443 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.268 443 G C -0.069 174.707 174.900 -0.207 0.000 0.975 443 G CA 0.401 45.498 45.100 -0.005 0.000 0.648 443 G HN 0.475 nan 8.290 nan 0.000 0.538 444 F N 2.151 121.729 119.950 -0.619 0.000 2.533 444 F HA 0.477 5.004 4.527 -0.000 0.000 0.378 444 F C 0.632 176.151 175.800 -0.469 0.000 1.070 444 F CA -0.757 56.662 58.000 -0.969 0.000 1.172 444 F CB 0.663 39.224 39.000 -0.732 0.000 1.085 444 F HN 0.591 nan 8.300 nan 0.000 0.552 445 V N 6.176 125.757 119.914 -0.554 0.000 2.789 445 V HA 0.904 5.024 4.120 -0.000 0.000 0.311 445 V C -0.909 174.949 176.094 -0.393 0.000 1.073 445 V CA -0.572 61.482 62.300 -0.411 0.000 0.921 445 V CB 1.052 32.742 31.823 -0.222 0.000 1.009 445 V HN 0.882 nan 8.190 nan 0.000 0.426 446 V N 0.601 120.358 119.914 -0.262 0.000 3.181 446 V HA 0.737 4.857 4.120 -0.000 0.000 0.308 446 V C -0.818 175.231 176.094 -0.074 0.000 1.214 446 V CA -1.013 61.241 62.300 -0.076 0.000 1.053 446 V CB 2.245 33.945 31.823 -0.204 0.000 1.069 446 V HN 1.022 nan 8.190 nan 0.000 0.441 447 K N 1.203 121.563 120.400 -0.066 0.000 2.164 447 K HA 0.868 5.188 4.320 -0.000 0.000 0.258 447 K C -0.651 175.838 176.600 -0.185 0.000 0.951 447 K CA -0.352 55.802 56.287 -0.221 0.000 0.844 447 K CB 2.117 34.443 32.500 -0.290 0.000 1.099 447 K HN 1.177 nan 8.250 nan 0.000 0.435 448 A N 2.869 125.508 122.820 -0.302 0.000 2.343 448 A HA 0.391 4.711 4.320 -0.000 0.000 0.316 448 A C -1.022 176.462 177.584 -0.167 0.000 1.104 448 A CA -0.690 51.120 52.037 -0.380 0.000 0.768 448 A CB 0.938 19.503 19.000 -0.725 0.000 1.213 448 A HN 0.655 nan 8.150 nan 0.000 0.456 449 K N 1.688 122.036 120.400 -0.088 0.000 2.235 449 K HA 0.430 4.750 4.320 -0.000 0.000 0.266 449 K C -0.033 176.620 176.600 0.088 0.000 0.980 449 K CA -0.193 56.098 56.287 0.006 0.000 0.849 449 K CB 1.221 33.705 32.500 -0.026 0.000 1.098 449 K HN 0.707 nan 8.250 nan 0.000 0.445 450 S N 2.850 118.611 115.700 0.102 0.000 2.549 450 S HA 0.093 4.563 4.470 -0.000 0.000 0.279 450 S C 0.633 175.184 174.600 -0.081 0.000 1.321 450 S CA -0.006 58.187 58.200 -0.012 0.000 1.054 450 S CB 0.614 63.811 63.200 -0.005 0.000 0.899 450 S HN 0.631 nan 8.310 nan 0.000 0.497 451 K N 2.084 122.387 120.400 -0.161 0.000 2.404 451 K HA 0.159 4.479 4.320 -0.000 0.000 0.194 451 K C -0.088 176.451 176.600 -0.102 0.000 1.023 451 K CA -0.078 56.139 56.287 -0.116 0.000 1.094 451 K CB 0.104 32.527 32.500 -0.129 0.000 0.841 451 K HN 0.544 nan 8.250 nan 0.000 0.523 452 K N 0.482 120.820 120.400 -0.103 0.000 3.117 452 K HA -0.194 4.126 4.320 -0.000 0.000 0.269 452 K C -0.680 175.887 176.600 -0.054 0.000 1.098 452 K CA 0.852 57.100 56.287 -0.065 0.000 0.785 452 K CB -2.273 30.201 32.500 -0.044 0.000 1.242 452 K HN 0.300 nan 8.250 nan 0.000 0.491 453 I N 1.866 122.400 120.570 -0.059 0.000 2.312 453 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 453 I C -1.661 174.471 176.117 0.026 0.000 1.008 453 I CA -2.168 59.099 61.300 -0.056 0.000 1.226 453 I CB 0.925 38.823 38.000 -0.170 0.000 1.371 453 I HN -0.179 nan 8.210 nan 0.000 0.468 454 P HA 0.040 nan 4.420 nan 0.000 0.266 454 P C -0.810 176.536 177.300 0.075 0.000 1.193 454 P CA -0.204 62.914 63.100 0.030 0.000 0.770 454 P CB 0.566 32.271 31.700 0.008 0.000 0.836 455 L N 2.113 123.363 121.223 0.046 0.000 2.329 455 L HA 0.646 4.986 4.340 -0.000 0.000 0.279 455 L C 0.623 177.500 176.870 0.011 0.000 1.014 455 L CA -0.110 54.752 54.840 0.037 0.000 0.814 455 L CB 1.302 43.332 42.059 -0.048 0.000 1.257 455 L HN 0.507 nan 8.230 nan 0.000 0.424 456 G N 2.072 110.883 108.800 0.018 0.000 2.588 456 G HA2 0.508 4.468 3.960 -0.000 0.000 0.281 456 G HA3 0.508 4.468 3.960 -0.000 0.000 0.281 456 G C -0.120 174.779 174.900 -0.001 0.000 1.236 456 G CA -0.187 44.919 45.100 0.010 0.000 0.969 456 G HN 0.900 nan 8.290 nan 0.000 0.504 457 G N -1.589 107.212 108.800 0.001 0.000 2.528 457 G HA2 0.531 4.491 3.960 -0.000 0.000 0.289 457 G HA3 0.531 4.491 3.960 -0.000 0.000 0.289 457 G C -0.204 174.697 174.900 0.002 0.000 1.192 457 G CA -0.659 44.440 45.100 -0.001 0.000 0.921 457 G HN 0.612 nan 8.290 nan 0.000 0.512 458 I N 0.000 120.570 120.570 0.001 0.000 2.984 458 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 458 I CA 0.000 61.303 61.300 0.005 0.000 1.566 458 I CB 0.000 37.999 38.000 -0.002 0.000 1.214 458 I HN 0.000 nan 8.210 nan 0.000 0.494